smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)NC1CCN(C(=O)Cc2ccc(N)cc2)CC1 37805709 NKXRYLLQQPRJMS-UHFFFAOYSA-N 311.407 0.352 10 10 DCCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(Br)c1 129293410 FADBHHUYSLZYMO-LLVKDONJSA-N 314.183 0.598 10 10 DCCE C[C@@H](CNCc1cccc(Br)c1O)S(N)(=O)=O 398412415 MOZDEOXDSMCZKY-ZETCQYMHSA-N 323.212 0.921 10 10 DCCE COc1ccc(O)c(CN(C)CCN2CCCS2(=O)=O)c1 775735341 NIYMIJAZLIWFML-UHFFFAOYSA-N 314.407 0.868 10 10 DCCE CN1C(=O)CN=C1NC(=O)c1cc2cc(O)c(O)cc2s1 1301593777 UFJMMHDEIHJXEO-UHFFFAOYSA-N 305.315 0.870 10 10 DCCE O=C1N[C@@]2(C(=O)NCc3cc(O)ccc3O)C[C@H]3C[C@H]1[C@H]2C3 1303225875 QCTSQRVMXUHZIP-YIPACVIGSA-N 302.330 0.629 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1636061160 HPCMGDNWSKBXIH-OXHMUOHRSA-N 308.334 0.611 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)c2cn[nH]c2)cc1C 1732635286 ZJHPHHNFPFBHHW-AWEZNQCLSA-N 318.377 0.607 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2COC[C@@H]2O)cc1 2167629398 OQYRPMMFFBIMHU-YPMHNXCESA-N 300.380 0.086 10 10 DCCE CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2177266751 LKXHCXLYFQJJNS-CHWSQXEVSA-N 300.380 0.444 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC(=O)NC2=O)cc1F 264905273 YCRTUJIMRBPKAN-UHFFFAOYSA-N 308.313 0.060 10 10 DCCE COCCOc1ccccc1NC[C@@H](O)CN1CCN(C)CC1 819424082 IBXDYDBIBOLMSW-OAHLLOKOSA-N 323.437 0.732 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNCC[C@]2(O)CCOC2)c1O 846049694 PPECVOBEWFKWFS-AWEZNQCLSA-N 312.322 0.940 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)cc1 855233504 HZUWCWCIAVAFGR-OLZOCXBDSA-N 317.389 0.916 10 10 DCCE C[C@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccc(N)cc1 2115320708 FWIWQTZGKFDVPL-XTZNXHDOSA-N 302.421 0.551 10 10 DCCE C[C@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1640904442 QENFJGJPIGBXRW-BXUZGUMPSA-N 306.322 0.807 10 10 DCCE O=C(c1cc(O)c(O)c(O)c1)N1CC(NC(=O)C(F)(F)F)C1 1988121992 BCZOQJIWRWNECX-UHFFFAOYSA-N 320.223 0.306 10 10 DCCE Cn1nnc(Br)c1Cn1ccc2c(c1=O)CNCC2 2094407734 UBDRDRNQOJYZAR-UHFFFAOYSA-N 324.182 0.433 10 10 DCCE Cc1ccc(CNC(=O)c2nn[nH]n2)c(O)c1Br 2327789791 OPBRZTIPWHNYOL-UHFFFAOYSA-N 312.127 0.906 10 10 DCCE CC[C@H]1SC(=S)N(CCC(=O)N2CCOCC2)C1=O 11635869 LVARYCRVOBATJI-SECBINFHSA-N 302.421 0.874 10 10 DCCE Nc1ccc(OCCC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 40346457 OTBGTLAQQDAKRL-NSHDSACASA-N 312.391 0.589 10 10 DCCE Cc1cc(N2CCNCC2)ccc1O[C@@H]1CCS(=O)(=O)C1 63063282 XPERLPGRNLSCRB-CQSZACIVSA-N 310.419 0.971 10 10 DCCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)CS(C)(=O)=O 129937647 ORIBZFZVWLXWJS-UHFFFAOYSA-N 320.436 0.811 10 10 DCCE CO[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 300180305 QTUZWOHYVAFJDY-CYBMUJFWSA-N 300.380 0.698 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCN1 722225659 QQUUUCFWWIQGGD-QMMMGPOBSA-N 301.324 0.794 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 808496937 DHOQZPFNWVFMHW-LBPRGKRZSA-N 321.354 0.903 10 10 DCCE CCS(=O)(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1 857332399 QZPUZQKNWRSVSU-UHFFFAOYSA-N 317.338 0.934 10 10 DCCE COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1 862487578 SMHGFXAXMUYTLY-OTYXRUKQSA-N 309.318 0.883 10 10 DCCE NC(=O)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cn1 1150376663 AHOPGMSMVADIHP-UHFFFAOYSA-N 301.302 0.451 10 10 DCCE Cc1cc(CN2CCN3CCOC[C@]3(CO)C2)ccc1N(C)C 1308111280 VDMPIXMCSNVVTQ-GOSISDBHSA-N 319.449 0.940 10 10 DCCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](CN)C1 1330566651 AEDARPLKZMDUBT-YPMHNXCESA-N 317.389 0.820 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)C1=C2CCCN=C2NN1 1445935488 BUWZBJWYGSRKBF-UHFFFAOYSA-N 302.334 0.311 10 10 DCCE CC1=C(C)C(=O)N(CCC(=O)NCc2c(O)cccc2O)C1=O 1645366327 PWYQRGVIHIKNCK-UHFFFAOYSA-N 318.329 0.809 10 10 DCCE COc1cccc(O)c1CNC[C@H]1CCS(=O)(=O)N1C 1967747943 NAMONHGRJZWPCB-SNVBAGLBSA-N 300.380 0.524 10 10 DCCE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2140651780 UYTASGGKBCAXOA-NWDGAFQWSA-N 301.437 0.392 10 10 DCCE O=C(NC[C@H]1CCCS1(=O)=O)c1cc(O)c(O)c(O)c1 2188867877 IPROBNWGYQYEEI-MRVPVSSYSA-N 301.320 0.110 10 10 DCCE CSc1ncc(CNC(=O)NC2CC(O)(C(=O)O)C2)s1 2284509111 UNEPVMPJNDWFMZ-UHFFFAOYSA-N 317.392 0.642 10 10 DCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Cl)c1 2289407543 SKLVXFQNABALCG-HHSCNIOUSA-N 300.786 0.510 10 10 DCCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNNc1ccccc1 2296925600 PKDSYIXVOISCLL-UHFFFAOYSA-N 302.359 0.893 10 10 DCCE Cc1ccc(CNC[C@H](O)C(=O)O)c(O)c1Br 2307572750 ZYNLXPLTECANCU-QMMMGPOBSA-N 304.140 0.998 10 10 DCCE Cc1ccc(O)c(CNC(=O)CN2CCCCC(=O)C2=O)c1 869411640 XSZXBQRHZLGEKB-UHFFFAOYSA-N 304.346 0.898 10 10 DCCE CN1CCN(c2ccc(CN3CCNC(=O)CC3)cc2F)CC1 1254010907 PZJDUIYRUKYMJJ-UHFFFAOYSA-N 320.412 0.899 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)[C@@H]1CCC[C@H]1O 1296246104 KYZMHVNDTRQOAM-MRVWCRGKSA-N 322.405 0.990 10 10 DCCE CCOC(=O)C[C@@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1638348708 YIKNVJWWJAFPTM-NOZJJQNGSA-N 311.334 0.459 10 10 DCCE CNC(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 1642789682 OQOYCEAEWVPHSA-UHFFFAOYSA-N 307.350 0.940 10 10 DCCE CC(C)NC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158796853 MWQCJWLLMSXMSP-UHFFFAOYSA-N 301.368 0.685 10 10 DCCE NS(=O)(=O)NCCNCc1ccc(Br)cc1O 1995965301 NWTXTCDQHUZMFJ-UHFFFAOYSA-N 324.200 0.037 10 10 DCCE C[C@H](O)c1ccc(N2CCOC[C@H]2[C@H](O)CO)c(Cl)c1 2146323653 NLNQLMXENFAQST-QCZZGDTMSA-N 301.770 0.952 10 10 DCCE CN(C)c1ccc([C@H](O)C(=O)CS(=O)(=O)N(C)C)cc1 2146993578 BIMWMQSRWOFLIM-ZDUSSCGKSA-N 300.380 0.247 10 10 DCCE COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1CO 2204546209 ZDGDYOWMPTXRPJ-UHFFFAOYSA-N 300.380 0.269 10 10 DCCE CSc1ncc(CNC(=O)NCCOCC(=O)O)s1 2269094432 SDBAKKBSKOZFFX-UHFFFAOYSA-N 305.381 0.765 10 10 DCCE CN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)NC1=S 2294216503 QJKCVHKUCLLFAA-UHFFFAOYSA-N 321.358 0.373 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(CCN)CC1 170245153 IRRQAXDLHVELKH-LBPRGKRZSA-N 307.394 0.379 10 10 DCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CCS(C)(=O)=O 37826524 PYUOQASWGFIJAH-PWSUYJOCSA-N 314.407 0.674 10 10 DCCE CCCN(CC(=O)N(C)C)S(=O)(=O)Cc1ccc(N)cc1 40347972 XKHYRNHYGWZILR-UHFFFAOYSA-N 313.423 0.899 10 10 DCCE COCCN1CCCN(C(=O)c2cccc(O)c2O)CC1=O 368972297 DMWDCPYPWZAUSK-UHFFFAOYSA-N 308.334 0.419 10 10 DCCE Cc1cnn(C)c1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 850400982 RDYZGCSYGVNAER-UHFFFAOYSA-N 318.333 0.437 10 10 DCCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)S(C)(=O)=O 862028563 CZGLDXGERIERJZ-SECBINFHSA-N 308.359 0.990 10 10 DCCE COc1cc(C)cc(CN2CCn3nnc(CO)c3C2)c1O 894811093 YIPGPIRBOMYTEQ-UHFFFAOYSA-N 304.350 0.809 10 10 DCCE Cc1cc(NS(=O)(=O)CC2(C(=O)O)COC2)ccc1O 688935399 XLKARWZMNISONG-UHFFFAOYSA-N 301.320 0.544 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCOC2)cc1C 1320199271 AXOLTUVRDVSGDO-CABCVRRESA-N 322.405 0.607 10 10 DCCE COc1ccc(CN[C@H](CO)CNC(=O)c2cn[nH]c2)cc1C 1717760312 QTVGJELJECBJEP-AWEZNQCLSA-N 318.377 0.607 10 10 DCCE C[C@@H](C(=O)NCc1c(O)cccc1O)[C@@H](C)S(C)(=O)=O 1652625286 AAQSIJHVJSBOFZ-RKDXNWHRSA-N 301.364 0.783 10 10 DCCE CN(CCS(C)(=O)=O)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 123611175 XGUHEWPSPAFEHS-NSHDSACASA-N 317.798 0.773 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N3CC(O)C3)c(Br)cc21 384071784 UILBTEGSDLRETN-NSHDSACASA-N 312.167 0.843 10 10 DCCE CC[S@@](C)(=O)=NCCNS(=O)(=O)Cc1ccc(N)cc1 2187301810 LAZMSDCHZOTJPL-LJQANCHMSA-N 319.452 0.806 10 10 DCCE C[C@@H](CO)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2101605000 UEDRJNSEIATPAN-QMMMGPOBSA-N 308.381 0.181 10 10 DCCE CSc1ncc(CNC(=O)NC2(C(=O)O)CC(O)C2)s1 2284555887 INTZITNUPHSGJG-UHFFFAOYSA-N 317.392 0.642 10 10 DCCE CCOC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 383375096 QEYHKXOHXKTDJT-UHFFFAOYSA-N 300.380 0.698 10 10 DCCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(=O)N(C)C 70490655 WQUINTRAEWPVHS-SNVBAGLBSA-N 315.395 0.044 10 10 DCCE O=C(CN1C(=O)CSC1=S)N1CCC2(CC1)OCCO2 82313027 MMKKGIPHRZKRFU-UHFFFAOYSA-N 316.404 0.212 10 10 DCCE CC(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)CC1 96785248 OLFOGFZHHLNQOS-NSHDSACASA-N 306.362 0.967 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCOC[C@H]2C1 363861778 IBRCACOSHVMUOW-CXLRFSCWSA-N 304.346 0.654 10 10 DCCE COc1cccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1O 279488109 URKJRCRDMQWNMA-OAHLLOKOSA-N 305.334 0.575 10 10 DCCE CO[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 852791529 ITXCKYLMWLLIEP-KBMXLJTQSA-N 321.421 0.920 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CO)cc1F 696845086 DVOUHIBWCLQHSB-QWHCGFSZSA-N 303.355 0.566 10 10 DCCE CCOC[C@H](C(=O)OC)N(C)C(=O)Cc1ccc(O)c(O)c1 1150940056 YGJQUASXPOWZSC-LLVKDONJSA-N 311.334 0.677 10 10 DCCE C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1ccccc1O 1151886118 VYXWPNYAHJQWIL-SECBINFHSA-N 323.374 0.869 10 10 DCCE COC(=O)c1cnc(C(=O)NCc2ccc(O)cc2O)cn1 1469161343 YOXRMLBWCXYDSA-UHFFFAOYSA-N 303.274 0.604 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)Cn2nc(C)oc2=O)c1 1595806890 ZARGCHBNPMINGX-QMMMGPOBSA-N 307.306 0.736 10 10 DCCE COC(=O)CN(C)S(=O)(=O)Nc1cc(C)c(O)cc1C 2161497648 SWKCKIBZHKGZJI-UHFFFAOYSA-N 302.352 0.771 10 10 DCCE Oc1c(Br)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046515237 UUSZDRPFUACCJI-RBLKWDMZSA-N 318.167 0.099 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2CO[C@H]3CNC[C@@H]3O2)s1 2284494266 LNLVLYLWFGHDEF-GUBZILKMSA-N 315.420 0.237 10 10 DCCE CSCCNC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 69457986 VWKMUJDSRYGFJY-SECBINFHSA-N 314.363 0.756 10 10 DCCE COC(=O)CCNC(=O)CCNCc1cc(OC)ccc1O 862527722 FEUPBHSKVILJPG-UHFFFAOYSA-N 310.350 0.560 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)c1cnc[nH]1 866206687 MIHSAPQOTJXUEM-AWEZNQCLSA-N 302.334 0.935 10 10 DCCE CCN(OC)C(=O)CNC(=O)NCc1cc(OC)ccc1O 1118195830 SIPQNOODWUGUQK-UHFFFAOYSA-N 311.338 0.610 10 10 DCCE COC(=O)C1=S=C(NC(=O)c2ccn3nccc3n2)C=C1 1463969677 KTOVJXXNLFTVTK-UHFFFAOYSA-N 302.315 0.237 10 10 DCCE COC(=O)COCCNC(=O)NCc1cccc(OC)c1O 1565176065 DPLVHANRVZXILU-UHFFFAOYSA-N 312.322 0.390 10 10 DCCE C[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)c1ccccc1O 1643741848 CBUGSRJDVFPWFL-MRVPVSSYSA-N 302.338 0.716 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCN(CCCF)CC3)c2n1 2063332171 KYWMPCLPYNKQTH-UHFFFAOYSA-N 321.356 0.861 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc(CO)c(Cl)c2)C1 2109343337 FKBAFOYRBKFQMQ-UHFFFAOYSA-N 304.799 0.960 10 10 DCCE COC(=O)CN1C(=O)NC(=Cc2ccc(N(C)C)cc2)C1=O 2297552923 QOVNDRAZQQUHRB-UHFFFAOYSA-N 303.318 0.818 10 10 DCCE CCN1C(=O)/C(=C2/SCC(=O)N2CC(=O)O)SC1=S 95937960 ZWDXGFNMAMHQIR-CLFYSBASSA-N 318.401 0.696 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC(=O)N(C2CC2)C1 588406926 RQXUGFGVBUTTSC-WPPTZLTKSA-N 302.330 0.991 10 10 DCCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 912709647 RGRLQMXOFGFNMF-HNNXBMFYSA-N 322.405 0.396 10 10 DCCE COc1ccc(N2CC[C@@H](NS(=O)(=O)C3CNC3)C2)cc1 923653931 CGAGJGVFQSDWNL-LLVKDONJSA-N 311.407 0.165 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCOC[C@@H]2C1 756246333 IBRCACOSHVMUOW-LSYFEZSPSA-N 304.346 0.654 10 10 DCCE NC(=O)[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 930887641 PBSYJBKCIAYZAV-INIZCTEOSA-N 305.378 0.257 10 10 DCCE OC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O 930737420 MOLNREKZEJVFMS-RDJZCZTQSA-N 306.406 0.698 10 10 DCCE O=C(NCc1c(O)cccc1O)c1cn([C@@H]2CC[C@H]2O)nn1 1456325991 VPHMISHCQYWFPC-ZWNOBZJWSA-N 304.306 0.315 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 1292514458 HHRXONQWHFLBAE-UONOGXRCSA-N 320.389 0.698 10 10 DCCE COC(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)OC 1648896501 ICONNNUQGMOMHJ-UHFFFAOYSA-N 318.351 0.112 10 10 DCCE CN1C[C@@H](O)[C@H](NCc2cc(Br)ccc2O)C1 1942699286 RUARDBRETUSSCN-ZYHUDNBSSA-N 301.184 0.919 10 10 DCCE OCC(CO)(CO)NCc1cc(Br)cc(F)c1O 715745944 ONEGNKOEXAEWGV-UHFFFAOYSA-N 324.146 0.099 10 10 DCCE NC[C@@H]1CC[S@@](=O)(=NC(=O)c2cc(O)c(O)c(O)c2)C1 2188921269 AXDSFHUTKHULER-JKNYTWMOSA-N 300.336 0.390 10 10 DCCE COCCn1nnnc1Sc1ncc(C[C@@H](C)N)s1 2099143903 SXOUIXMTDNNBQM-SSDOTTSWSA-N 300.413 0.817 10 10 DCCE CN(CCN1CCOCC1)C(=O)C=Cc1ccc(O)c(O)c1 2308000679 KOKOEUJHIMMOPA-UHFFFAOYSA-N 306.362 0.902 10 10 DCCE CCS(=O)(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1 175769847 VUKFMNRQWXVBOG-UHFFFAOYSA-N 313.423 0.650 10 10 DCCE CCOC(=O)CCS(=O)(=O)NCc1c(O)cccc1F 921452793 ZPWPELCIVCOBEF-UHFFFAOYSA-N 305.327 0.904 10 10 DCCE CN(C)c1ccc(CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1 899982429 FPTTYOPMITWZLU-HUUCEWRRSA-N 315.377 0.970 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)C1CCOCC1 1138087088 BYTXAFWGRYQVQN-CYBMUJFWSA-N 309.362 0.934 10 10 DCCE CC(C)(C)OC(=O)N1CCC2CC1(COc1nnc(=N)[nH]n1)C2 1900171908 SMXFPDVBTIJZNY-UHFFFAOYSA-N 322.369 0.848 10 10 DCCE O=C1COc2ncc(C(=O)NCc3ccc(O)cc3O)cc2N1 1643104242 RHFLHRXQOZVBIA-UHFFFAOYSA-N 315.285 0.754 10 10 DCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC/C=C/Br 2051145822 KGCLTLLVDHSTCN-PWTMJPFMSA-N 315.167 0.992 10 10 DCCE CCN1C(=O)C(=CNCCCn2ccnc2)C(=O)NC1=S 2296136244 WSLUNCHZCHMHEP-UHFFFAOYSA-N 307.379 0.010 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 808528103 RBQBBGPFTJJTPR-NSHDSACASA-N 315.322 0.324 10 10 DCCE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)C(C)=O 808515002 HBUSSYHCBCEJLA-GWZUUTHWSA-N 313.375 0.946 10 10 DCCE C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1CN 1332117683 XWHPFGBGCPOYAR-FZMZJTMJSA-N 317.389 0.820 10 10 DCCE CN(C)c1ccc(CNC(=O)[C@H](O)c2cnn(C)c2)cc1F 1292277658 ADNHBOGRUDTYCF-CQSZACIVSA-N 306.341 0.975 10 10 DCCE NC(=O)CCn1ccc(NC(=O)c2c(F)ccc(O)c2O)n1 1472516553 HNGZTQCRODLKPX-UHFFFAOYSA-N 308.269 0.561 10 10 DCCE COc1ccc(CNCCN(C)C(=O)c2nnn(C)n2)cc1C 1714745038 JNSHGPKKBWHJRU-UHFFFAOYSA-N 318.381 0.389 10 10 DCCE COC[C@]1(CO)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1640895935 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DCCE CP(C)(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O 2360617385 HTEUSFSPPPEQIV-MRVPVSSYSA-N 301.235 0.904 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@H]2CC[C@@H]2N)cc1 2363559357 NCUOSCFOTQSHJK-QWRGUYRKSA-N 319.408 0.290 10 10 DCCE Cc1c(S(=O)(=O)N(C)Cc2ccccc2O)c(N)nn1C 97830581 FUQSELSHTLTSKO-UHFFFAOYSA-N 310.379 0.837 10 10 DCCE COc1cccc(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)c1O 830540242 HOWDPAASPQDYTP-SNVBAGLBSA-N 317.349 0.241 10 10 DCCE CCOC[C@H](O)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 844184822 FAASZMMOQXISBM-MRXNPFEDSA-N 321.421 0.353 10 10 DCCE O=C(O)COCC(=O)NCc1ccc(N2CCOCC2)cc1 844253107 POIDMKQMOBTPGT-UHFFFAOYSA-N 308.334 0.241 10 10 DCCE CN1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1CO 931398494 PWMARTMASCMVTL-QGZVFWFLSA-N 305.422 0.632 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)N(C)C 785078359 PFPFAWWHPCFOMU-UHFFFAOYSA-N 313.423 0.602 10 10 DCCE O=C(O)C1(CS(=O)(=O)Nc2ccc(O)cc2Cl)COC1 688968006 XFMFVDFHDUZBQO-UHFFFAOYSA-N 321.738 0.889 10 10 DCCE NC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 1624831625 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CSc1ncc(CNC(=O)[C@@H](N)Cc2ncns2)s1 2269095782 ZOPYETQKRBKLQA-ZETCQYMHSA-N 315.449 0.903 10 10 DCCE Cc1ccc(CNS(=O)(=O)CCN)c(O)c1Br 2307467161 VFDZOQNUYUPFIZ-UHFFFAOYSA-N 323.212 0.841 10 10 DCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2357916046 OTMYAHKBCODFAA-MCIONIFRSA-N 300.786 0.352 10 10 DCCE CN(C)[C@H](CNC(=O)c1cccc(O)c1O)c1cnn(C)c1 185682170 VIZJKFHQXJZUKU-GFCCVEGCSA-N 304.350 0.864 10 10 DCCE CS[C@H](CO)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 228150071 AYJBBNPZWROLIS-BXKDBHETSA-N 304.437 0.801 10 10 DCCE O=C(O)[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2O)C1 228403188 VIORGYHTEGCILV-LLVKDONJSA-N 314.363 0.523 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CS(C)(=O)=O)C2)cc1 855229165 IGDHUQSUCKFISF-LLVKDONJSA-N 312.391 0.435 10 10 DCCE CN(C1CCNCC1)S(=O)(=O)NCc1c(O)cccc1F 903591711 SRHXZPIJCUJTJQ-UHFFFAOYSA-N 317.386 0.550 10 10 DCCE NC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1141561231 YLPOMKSVDFCLKX-UHFFFAOYSA-N 308.334 0.039 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H](CO)C[C@@H]43)c2n1 2062900486 UHAYELPUIXSOOH-MPPDQPJWSA-N 316.361 0.880 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@]2(F)C[C@@H](CO)C2)cc1 2168694140 VNYDVNLFLFGVFZ-BJHJDKERSA-N 302.371 0.799 10 10 DCCE C[C@]1(NC(=O)c2cc(O)c(O)c(O)c2)CCS(=O)(=O)C1 2188868044 LDMZSDOLHOKQFX-LBPRGKRZSA-N 301.320 0.110 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Cl)c1 2289407240 RIFDUMCEHTZSPK-BPNCWPANSA-N 300.786 0.210 10 10 DCCE CC(=O)C(=O)COC(=O)C[C@@H](NC(N)=O)c1ccccc1C 808501425 OVNKSQVUSLBFNI-GFCCVEGCSA-N 306.318 0.796 10 10 DCCE COC(=O)/C=C\c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 840336608 QNJISLFEJKPNMX-WDJAASKKSA-N 322.317 0.570 10 10 DCCE CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)S1(=O)=O 846476094 IQXQRKFLYKDPKY-LLVKDONJSA-N 318.782 0.696 10 10 DCCE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CCC(O)CC2)CC1 1912158908 ARPGMHKYONTJIO-UHFFFAOYSA-N 303.388 0.710 10 10 DCCE C[C@]1(CO)C[C@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1640904445 QENFJGJPIGBXRW-SMDDNHRTSA-N 306.322 0.807 10 10 DCCE CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169996279 GOMCKBFSBMKNPF-NSHDSACASA-N 319.317 0.311 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@]23COC[C@@H]2C3(F)F)cc1 2161873229 ZLCOKURZSSOKAL-WDEREUQCSA-N 304.318 0.722 10 10 DCCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2ccc(O)c(O)c2O)C1 2171149125 DCKBKRRNKAVVNY-WAAGHKOSSA-N 301.364 0.716 10 10 DCCE C[C@H](C(=O)O)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 49051115 GTGNFVNEFPPNSU-SNVBAGLBSA-N 300.380 0.987 10 10 DCCE CCNC(=O)CNC(=O)N1CCN(c2ccc(OC)cc2)CC1 194554959 DZUJUORATLHCRX-UHFFFAOYSA-N 320.393 0.663 10 10 DCCE CN(CC1(CO)CC1)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283346220 DLCHNOVEMMSAQJ-UHFFFAOYSA-N 319.405 0.600 10 10 DCCE CS(=O)(=O)N1CC[C@H](CNCc2ccc(O)c(O)c2)C1 690683327 YTBOKBXWKFZTJQ-LLVKDONJSA-N 300.380 0.469 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1c(O)cccc1O 697269765 LUXLASHFWWFKKJ-VDDIYKPWSA-N 301.364 0.560 10 10 DCCE O=C(NC[C@@]1(OCCO)CCOC1)c1c(F)ccc(O)c1O 857307978 FPGJUMGDMGCXHF-AWEZNQCLSA-N 315.297 0.135 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](N2CCOCC2)C1 1141050113 DSCRKTFBJMPOSZ-CQSZACIVSA-N 320.389 0.964 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccon2)cc1C 1268298916 LQLWFANZZLBSJR-ZDUSSCGKSA-N 319.361 0.872 10 10 DCCE O=C(NCc1nc([C@@H]2CCOC2)n[nH]1)c1c(F)ccc(O)c1O 1306875272 RYLUATGYXYVIPQ-SSDOTTSWSA-N 322.296 0.789 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)c2nnn(C)n2)cc1C 1699418088 JDBGJZJAZVXYER-NSHDSACASA-N 318.381 0.435 10 10 DCCE CS(=O)(=O)[C@H]1CC[C@H](NCc2ccc(O)c(O)c2O)C1 2145411997 JHVVXFAJVDGBPH-UWVGGRQHSA-N 301.364 0.859 10 10 DCCE CN(C)c1ccc(CNS(=O)(=O)C[C@](C)(F)CN)cc1 2164487904 RCMBSBBXULBTHL-CYBMUJFWSA-N 303.403 0.859 10 10 DCCE COCCN1C[C@H](NCc2cnc(SC)s2)[C@H](O)C1 2269195288 SXUOVEKXPFOUAJ-WDEREUQCSA-N 303.453 0.646 10 10 DCCE COc1ccc(O)c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1 279481898 UAFFZRKXVFIBLZ-HNNXBMFYSA-N 305.334 0.575 10 10 DCCE CC(=O)C(=O)COC(=O)C[C@H](NC(N)=O)c1cccc(C)c1 808501758 VVMDBMSXFMRRBN-LBPRGKRZSA-N 306.318 0.796 10 10 DCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCN 842222908 WIQKTHJYOSTXBC-UHFFFAOYSA-N 306.410 0.566 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1=NO[C@H](CN)C1 852872433 MIFXIGVETYKNMP-NSHDSACASA-N 304.350 0.582 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)cc1 855222957 DSVURVPDXBNACG-BXUZGUMPSA-N 318.377 0.414 10 10 DCCE CNC(=O)NCCC(=O)NCc1ccc2cccnc2c1O 862026662 WIRLVHXCEAYWPK-UHFFFAOYSA-N 302.334 0.876 10 10 DCCE COc1ccc(CNC(=O)c2ccc3c(c2)COB3O)c(O)c1 1139031675 DHXZMBLUSJDISF-UHFFFAOYSA-N 313.118 0.549 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)N1CCC(O)CC1 1914145833 GXBWUDYJFPPFCL-UHFFFAOYSA-N 300.380 0.526 10 10 DCCE COc1cccc(CNC(=O)N[C@H](C)c2nnc(O)n2C)c1O 1676204284 ALUVZNSAPWWQOP-MRVPVSSYSA-N 321.337 0.795 10 10 DCCE Cc1cccc(CNS(=O)(=O)CCS(C)(=O)=O)c1O 2139742364 BYROPINEXMKNQW-UHFFFAOYSA-N 307.393 0.165 10 10 DCCE CN(CCS(=O)(=O)N(C)C)c1c(F)cc(CO)cc1F 2151050012 NGCXMXBUECAVPT-UHFFFAOYSA-N 308.350 0.785 10 10 DCCE CCO[C@H]1COCC[C@H]1NC(=O)c1cnn2c(O)cc(C)nc12 2063473850 VIPUGSUBONZFEE-NEPJUHHUSA-N 320.349 0.667 10 10 DCCE O=S(=O)(C[C@H]1CC[C@@H]1O)NCCc1ccc(O)c(O)c1 2178211744 CJEAZHSCGGRNIQ-MNOVXSKESA-N 301.364 0.331 10 10 DCCE C[S@](=O)CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2186351186 JETHKEQMMLTBIN-IBGZPJMESA-N 316.448 0.799 10 10 DCCE CO[C@H]1[C@@H](CNCc2cnc(SC)s2)NC[C@H]1OC 2269313995 ACAXLFMUDQFLIX-MXWKQRLJSA-N 303.453 0.956 10 10 DCCE O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2Cl)C(=O)C1 22864671 YDUVCGSVJGHIML-UHFFFAOYSA-N 318.694 0.764 10 10 DCCE COc1ccc(N2CCN(C(=O)COC3(C)CNC3)CC2)cc1 322899253 PFCCGHPLLVRUEE-UHFFFAOYSA-N 319.405 0.722 10 10 DCCE COC(=O)c1cnc(SC[C@H](O)CN2CCOCC2)s1 834383751 VPGIAXAJPQZVMT-SECBINFHSA-N 318.420 0.715 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)cc1 855222959 DSVURVPDXBNACG-RISCZKNCSA-N 318.377 0.414 10 10 DCCE CNC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 853458198 KMBGGZVGEWSXPY-LBPRGKRZSA-N 320.393 0.709 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CN(C)C(=O)N2)cc1 855020234 KCMZOHJOAIVIAF-CQSZACIVSA-N 320.393 0.613 10 10 DCCE C[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1O 925791365 GBUVIFMBTKHBIM-ZYHUDNBSSA-N 316.398 0.959 10 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10 10 DCCE O=C(CN1CCCCC(=O)C1=O)NCc1c(O)cccc1F 928707809 BUPJCQNHEBODDJ-UHFFFAOYSA-N 308.309 0.729 10 10 DCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1c(O)cccc1F 924040859 HCKZKKGRFCKKMX-KCJUWKMLSA-N 316.354 0.764 10 10 DCCE O=C(NCc1ccc2cccnc2c1O)C1(n2cnnn2)CC1 862025283 RQNXXKKGWISKSK-UHFFFAOYSA-N 310.317 0.732 10 10 DCCE COc1ccc(O)c(CNC(=O)C2CN([C@@H]3CCOC3)C2)c1 896363576 ZCELZRWHVHOWHP-CYBMUJFWSA-N 306.362 0.738 10 10 DCCE C[C@H](NCCO)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1700433140 YSVCUXOSSBJRJS-VHSXEESVSA-N 307.354 0.938 10 10 DCCE CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1 169996166 UUHDOBRWRYPQRU-NSHDSACASA-N 304.306 0.093 10 10 DCCE C[C@@H](NCCN1CCCS1(=O)=O)c1c(O)cccc1O 405350854 BUCJAUYUAHJCFN-SNVBAGLBSA-N 300.380 0.784 10 10 DCCE C[C@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1c(O)cccc1O 2207465761 OYHFCHPADRNSOX-YGOYTEALSA-N 301.364 0.560 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CC[C@@H]2O)ccc1O 2236168446 POCZZSYIMBEYMT-XVKPBYJWSA-N 302.308 0.813 10 10 DCCE C[C@H](CNS(=O)(=O)CCOc1ccc(N)cc1)N(C)C 70490731 MDGSEPOTYDEYDE-LLVKDONJSA-N 301.412 0.517 10 10 DCCE CNCc1cc(F)c(N2CCN(S(C)(=O)=O)CC2)c(F)c1 62719377 GPIFICRCWVSYEA-UHFFFAOYSA-N 319.377 0.766 10 10 DCCE COc1cc(N)c(N2CCN(S(C)(=O)=O)CC2)cc1OC 213770796 ZWOACMGOILMNFL-UHFFFAOYSA-N 315.395 0.368 10 10 DCCE Nc1ccc(CCNC(=O)c2cn([C@@H]3CCCNC3)nn2)cc1 818545096 HIPVBVKXMSKUMZ-CQSZACIVSA-N 314.393 0.757 10 10 DCCE CNC(=O)[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852447893 GHWWSEHZHVENFX-RYUDHWBXSA-N 320.393 0.708 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4C[C@]4(CO)C3)cc2N1 782404379 BQAUPJYABVIFPG-RMLUDKJBSA-N 305.290 0.744 10 10 DCCE CCN1CCN([C@@H](C)CNC(=O)c2cccc(O)c2O)CC1 1136660567 URYOVRCNBZAYJK-LBPRGKRZSA-N 307.394 0.854 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1C(N)=O 1135946320 OBYFFRODLAHJQE-CABCVRRESA-N 317.389 0.603 10 10 DCCE COc1ccc(CNC[C@@H](C)NC(=O)Cn2cnnn2)cc1C 1321455981 YUPWSQXMEDKIFS-GFCCVEGCSA-N 318.381 0.285 10 10 DCCE O=C(C(=O)N1C[C@H]2CC[C@H]1CN2)N1Cc2cccc(O)c2C1 1351982983 MZEDROCPUNQQBK-NEPJUHHUSA-N 301.346 0.197 10 10 DCCE CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865764919 HACIUEUWZASGMY-XCBNKYQSSA-N 318.420 0.852 10 10 DCCE CCN(CCNC(C)=O)Cc1nnnn1-c1ccc(OC)cc1 1480956663 BRTKTIQQKCQEGW-UHFFFAOYSA-N 318.381 0.629 10 10 DCCE C[C@H]1C(=O)N(NC(=O)/C=C\c2ccc(O)c(O)c2)C(=O)N1C 1629884602 AATGJSGFASRKNE-HORMHSFOSA-N 305.290 0.425 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1O 2142469606 AIDUMAMORCJCCX-ZYHUDNBSSA-N 305.783 0.947 10 10 DCCE C[C@H]1OCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 149216491 IRIUFQVFXMZLGO-MFKMUULPSA-N 300.380 0.744 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCN(C4CC4)C3)c2n1 2062856972 TVCQJIHHOHZRDJ-SNVBAGLBSA-N 301.350 0.710 10 10 DCCE CCOC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)CCO1 2064261526 TYXAUKGJCJTYEU-NSHDSACASA-N 320.349 0.621 10 10 DCCE O=C(O)[C@@H](NCc1ccc(Cl)cc1O)C1CS(=O)(=O)C1 2197527363 XMVNWHONLVLTNR-NSHDSACASA-N 319.766 0.633 10 10 DCCE Nc1ccc(CS(=O)(=O)N2C[C@H](N)CC(F)(F)C2)cc1 2191635267 RZVLRMPFIWZGMT-LLVKDONJSA-N 305.350 0.767 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC(OCCCO)C2)cc1 2206957770 QAKUDYKGNKQEEX-UHFFFAOYSA-N 300.380 0.182 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)cc1 78416870 HURIBFQNWNVADF-CYBMUJFWSA-N 317.389 0.822 10 10 DCCE CN(C[C@H]1CCO1)S(=O)(=O)CCOc1ccc(N)cc1 2366922010 TUPNJJANISAMLH-CYBMUJFWSA-N 300.380 0.698 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CC(=O)N(C)[C@@H](C)C2)c1O 282896312 ZSNGEWCQTKVRIN-VIFPVBQESA-N 309.322 0.972 10 10 DCCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1S(C)(=O)=O 855823196 SENOBGIVEUXMJE-SECBINFHSA-N 314.363 0.204 10 10 DCCE CNC[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O 1119544052 BOYDOLXVRLCHRC-AWEZNQCLSA-N 319.405 0.951 10 10 DCCE COC1=C(C(=O)O)NC(=S)N[C@@H]1c1cccc(OC)c1O 76260364 ZHFGPCZERXJEPR-MRVPVSSYSA-N 310.331 0.862 10 10 DCCE COc1ccc(N(C)[C@H]2CS(=O)(=O)C[C@H]2OC)c(N)c1 829261600 CNNCBFONMFGOAU-QWHCGFSZSA-N 300.380 0.526 10 10 DCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCC[C@H]1S(C)(=O)=O 90259715 OXXKLBXIPCIPTJ-MWLCHTKSSA-N 304.372 0.785 10 10 DCCE CCS(=O)(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1557607707 OQCKHCGMZXNWEM-UHFFFAOYSA-N 313.375 0.724 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)c1ccc(-n2cnnn2)cn1 1635960153 YPVLKTBGMRVTIW-UHFFFAOYSA-N 312.289 0.399 10 10 DCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1c(O)cccc1O 1645363547 ZXIZVTOPIZMDDK-MRXNPFEDSA-N 318.329 0.327 10 10 DCCE Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)c(O)c1O 1587169630 RBQRCMXRMGVXOK-WFASDCNBSA-N 318.329 0.626 10 10 DCCE COc1ccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)cc1OC 169996139 JYAVVWDPFOZLAX-VIFPVBQESA-N 307.306 0.152 10 10 DCCE COc1cccc(O)c1CN(C)CCN(C)S(C)(=O)=O 1971682771 JFDXWGVKVWCXBF-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)c(Cl)c1 2146330267 WTPDJXMAVNWPDK-OWYVNGRQSA-N 300.786 0.918 10 10 DCCE O=S(=O)(NCCCNCc1cccc(O)c1O)C1CC1 2158566531 KLKXFSXRWGQOTA-UHFFFAOYSA-N 300.380 0.659 10 10 DCCE CS(=O)(=O)N[C@H]1CCN(c2c(F)cc(CO)cc2F)C1 702988852 RJOGRRSBDYPVBD-VIFPVBQESA-N 306.334 0.585 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)CCc3cnc[nH]3)c2n1 2065059795 SWKJIGNGEHHYSJ-UHFFFAOYSA-N 300.322 0.781 10 10 DCCE CO[C@@H](C)CS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1 2283824386 VKVCTRNKOKGKIM-JTQLQIEISA-N 300.380 0.681 10 10 DCCE CSc1ncc(CNS(=O)(=O)[C@@H](C)C(N)=S)s1 2248732096 FAIZTDWRURYVNG-YFKPBYRVSA-N 311.479 0.959 10 10 DCCE CSc1ncc(CNC(=O)N2CC[C@@](O)(C(=O)O)C2)s1 2284545290 XTNRXDMLYWIUJB-NSHDSACASA-N 317.392 0.596 10 10 DCCE CN(C)CCNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O 2297059834 LIOZSJVYYFBZQF-UHFFFAOYSA-N 324.450 0.598 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCS[C@H](CCO)C2)cc1 720083142 IXRFNRMWLTWBDW-CYBMUJFWSA-N 316.448 0.898 10 10 DCCE CNCc1ccc(OC)c(CS(=O)(=O)CC(=O)OC)c1 81976640 BNTUWXMLXZJCDP-UHFFFAOYSA-N 301.364 0.502 10 10 DCCE O=C(CNC(=O)c1ccncc1)NCc1cc(O)ccc1O 1303225443 IESRRSPPFUQLAY-UHFFFAOYSA-N 301.302 0.539 10 10 DCCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1CO 1261867522 JFOZDNYODZHKIY-DGCLKSJQSA-N 318.373 0.711 10 10 DCCE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1 1293503718 LPLDQMPKTUWTGV-SNVBAGLBSA-N 315.391 0.922 10 10 DCCE CN(C)C(=O)CN1CCCN(C(=O)c2cc(O)cs2)CC1 1455698969 WYYHTCLTUHTDON-UHFFFAOYSA-N 311.407 0.690 10 10 DCCE CCN(OC)C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1639910439 NSFQYOHEABAJRS-UHFFFAOYSA-N 307.310 0.989 10 10 DCCE C[C@@H](NCCS(=O)(=O)CCO)c1ccc(N(C)C)cc1 1970805476 JVAYKHZWULAZJS-GFCCVEGCSA-N 300.424 0.810 10 10 DCCE CCO[C@@H]1C[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)[C@@H]1OC 2062610894 ROZWADCFWSMGTI-WZRBSPASSA-N 320.349 0.666 10 10 DCCE CC(C)(CO)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2290079374 MXPFLEPYDSSTLE-UHFFFAOYSA-N 303.380 0.578 10 10 DCCE CC(C)S(=O)(=O)N(C)NCc1cc2c(cc1O)OCO2 2365262707 RBVVGPGCHNBUTJ-UHFFFAOYSA-N 302.352 0.796 10 10 DCCE CNCc1ccc(OC)c(CS(=O)(=O)CCC(=O)OC)c1 81975222 AXCYEBRPJGIRRI-UHFFFAOYSA-N 315.391 0.893 10 10 DCCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366532523 WOHXGVNLVAVSGE-JTQLQIEISA-N 302.352 0.251 10 10 DCCE COc1cccc(CNC(=O)C[C@]2(O)CCCN(C)C2)c1O 901128566 XZYCOIZDWMLQRV-MRXNPFEDSA-N 308.378 0.864 10 10 DCCE NC(=O)c1cn(C2CN(Cc3cc(Cl)ccc3O)C2)nn1 839141955 BORSQIWNKYWULP-UHFFFAOYSA-N 307.741 0.793 10 10 DCCE CC1(C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCO1 846237346 FMIAVCJNZDEASD-UHFFFAOYSA-N 306.322 0.744 10 10 DCCE O=C(CCN1CCCS1(=O)=O)NCc1c(O)cccc1F 928711163 FXNOJUIRBOXXGU-UHFFFAOYSA-N 316.354 0.573 10 10 DCCE C[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1cc(F)ccc1O 925790600 BUFZNMPRWKKIOS-PWSUYJOCSA-N 316.398 0.959 10 10 DCCE NC(=O)C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 930676139 KUHLNXKUMPWLSX-MRXNPFEDSA-N 319.405 0.599 10 10 DCCE Cc1nnc2n1C[C@H](C(=O)NCc1cc(O)ccc1O)CC2 1303225525 KKYQUHIBRPKVPT-SNVBAGLBSA-N 302.334 0.877 10 10 DCCE CCOCCN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1627383427 AIKCRXXLCLVACT-UHFFFAOYSA-N 308.378 0.821 10 10 DCCE N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCN(Cc2ccccc2)C1 1980376237 FBZRLYHHELBBBK-IIDMSEBBSA-N 315.417 0.855 10 10 DCCE O=C(O)C(F)(F)CCS(=O)(=O)NCc1ccccc1O 2178760412 MFOPFDOAQQLTFU-UHFFFAOYSA-N 309.290 0.922 10 10 DCCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046515076 SYJMZZKWRDPSJY-SASUGWTJSA-N 318.167 0.099 10 10 DCCE COCn1nccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234165634 FGBSKMMGNMFWGJ-DTWKUNHWSA-N 300.344 0.997 10 10 DCCE COc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(CO)c1 2235998892 COAYFIPQWBJBAP-LLVKDONJSA-N 300.380 0.315 10 10 DCCE NCc1ccc(N2CC(O)(CCO)C2)cc1Br 2249528928 VJRBJNCHABGPJQ-UHFFFAOYSA-N 301.184 0.841 10 10 DCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)cc1Cl 2358564755 GJGVPEBEZQLXDS-DGJRKYIQSA-N 300.786 0.917 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](Oc2cccnn2)C1 238895947 RANIPUPNBWLDJF-SNVBAGLBSA-N 302.290 0.576 10 10 DCCE CN(C)c1ccc(CNCC[C@@H]2CNCCS2(=O)=O)cc1 903969423 YFLNNPKZPQQNKS-OAHLLOKOSA-N 311.451 0.619 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2C[C@H](O)C[C@H]2C1 848305647 DVLAPWFVPZYLKP-GQYCNYHZSA-N 304.346 0.388 10 10 DCCE NC(=O)[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 930887650 PBSYJBKCIAYZAV-MRXNPFEDSA-N 305.378 0.257 10 10 DCCE COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(C)c(O)c2O)C1 862744524 TUQYBZIFOLKILS-OAHLLOKOSA-N 309.318 0.810 10 10 DCCE O=C1NCC2(CCOCC2)[C@@H]1NCc1cc2c(cc1O)OCO2 895774169 WJPJOSBMMIWCNB-CQSZACIVSA-N 320.345 0.506 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1162718714 PGGPRSOHDIHBLY-DFBGVHRSSA-N 317.389 0.759 10 10 DCCE O=C(NCc1c(O)cccc1F)N[C@H]1CCc2nnnn2CC1 1312890525 QYRODOYYEIRAED-VIFPVBQESA-N 320.328 0.722 10 10 DCCE C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1330495489 HIGMCUKVLDADAC-DGCLKSJQSA-N 318.373 0.854 10 10 DCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC2(CCN2)CC1 1351982435 FQPOPIRFYRRNOV-UHFFFAOYSA-N 315.373 0.589 10 10 DCCE Cc1c(OC[C@@H](O)CO)c(=O)ccn1Cc1ccc(N)cc1 1857920102 OGPQETLUOLOUBN-AWEZNQCLSA-N 304.346 0.519 10 10 DCCE CC1(CCNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)OCCO1 715890520 GSZKXUPEXAIHDG-NSHDSACASA-N 310.350 0.237 10 10 DCCE COc1cc(Cl)cc(CN[C@H]2CCO[C@H]2C(N)=O)c1O 2174102484 GHAZOZGROQSZNC-JOYOIKCWSA-N 300.742 0.787 10 10 DCCE 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CC(C)(C)OC(=O)NCC(=O)NN1C(=O)CSC1=S 1923598722 NOGNMXXIYMJZOR-UHFFFAOYSA-N 305.381 0.403 10 10 DCCE CC[C@H](O)Cn1cc(C(=O)NCc2c(O)cccc2O)nn1 1635846890 CVBAWGAVZFUMSN-VIFPVBQESA-N 306.322 0.390 10 10 DCCE O=C(N[C@H](CO)[C@@H](O)c1ccccn1)c1cccc(O)c1O 1648709863 VAWQECPMRUIMQL-RISCZKNCSA-N 304.302 0.317 10 10 DCCE CNCc1ccc(N2CC(=O)NC(=O)C2)cc1C(F)(F)F 167383723 RNRLEVJQMWNNAN-UHFFFAOYSA-N 301.268 0.888 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3COCCO3)c2n1 2063795441 LIQXSFMUJMBGNZ-SNVBAGLBSA-N 306.322 0.231 10 10 DCCE C[C@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)CCN1CCO 2310376986 OTQHDAFOMPHSSI-LBPRGKRZSA-N 306.362 0.636 10 10 DCCE CC(CO)(CO)C(=O)NCc1ccc(N2CCSCC2)cc1 133948714 GMMNPWVRPAVXRK-UHFFFAOYSA-N 324.446 0.847 10 10 DCCE O=C1N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N2CCOC[C@@H]12 93884784 RTKXYQCEEVZZQN-GXSJLCMTSA-N 313.697 0.783 10 10 DCCE C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)NC(=O)[C@H]21 247981913 XMGNGLMBBGJQNT-PUXPGTEJSA-N 324.720 0.422 10 10 DCCE 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312.167 0.759 10 10 DCCE C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(O)cc1O 2233056982 PKWSANDPSGVAHK-SECBINFHSA-N 300.380 0.640 10 10 DCCE C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1ccc(N)cc1 40334436 CUIXBBGIMQCYSH-CMPLNLGQSA-N 311.407 0.684 10 10 DCCE CCn1nc2c(cc1=O)CN(C(=O)Cc1ccc(N)cc1)CC2 831063272 WUDDSAFFZQYSDO-UHFFFAOYSA-N 312.373 0.973 10 10 DCCE O=C(c1cccc(O)c1O)N1CCC(N2CC[C@@H](O)C2)CC1 856253244 IOBDSUYLWNNTDY-GFCCVEGCSA-N 306.362 0.769 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1F 1321935405 PQSANGHODIWWOQ-YABSGUDNSA-N 321.352 0.269 10 10 DCCE CN1C(=O)C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 1467486190 VTMRPEGEALHGQM-SSDOTTSWSA-N 320.326 0.800 10 10 DCCE NC(=O)/C=C/c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)nc1 1865876599 VNJZEJAZQLNDQL-HNQUOIGGSA-N 315.285 0.949 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H](O)CCO2)cc1 2154220054 IBHDJSUUBKPRSA-OLZOCXBDSA-N 300.380 0.228 10 10 DCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC1SCCS1 692392179 WGDAQJNRBQSYGQ-VIFPVBQESA-N 314.432 0.890 10 10 DCCE 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CC1(O)CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 384036619 IHCBPQCQAQRHBK-JTQLQIEISA-N 312.167 0.972 10 10 DCCE Cc1cc(O)ccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 2089616889 JQSPMCXWICNVBF-SNVBAGLBSA-N 305.377 0.629 10 10 DCCE NCc1cc(F)c(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258334680 JSITXMAHXTYCDP-JQWIXIFHSA-N 319.174 0.979 10 10 DCCE CS(=O)(=O)CCCOC[C@@H](O)COc1ccc(N)cc1 2295824484 RPSHPPCAXDTDNN-GFCCVEGCSA-N 303.380 0.460 10 10 DCCE CN1CCN(CCC(=O)O)c2cc3c(cc2C1=O)OCCO3 527432283 YTHAGGVESRQDCI-UHFFFAOYSA-N 306.318 0.825 10 10 DCCE COC(=O)[C@H](NCc1cc2c(cc1O)OCO2)c1ccnn1C 843429813 IEPTZEYACDNHQE-CQSZACIVSA-N 319.317 0.858 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCNC2=O)cc1 852409700 VGKDCKZLBGSMHZ-AWEZNQCLSA-N 320.393 0.661 10 10 DCCE NC(=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 863485961 SZJTVJUCSOBIRT-JRBALWBOSA-N 306.318 0.214 10 10 DCCE C/C=C\[C@@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138054977 LSEKCZUKWDGRHX-HCRUJZKASA-N 323.345 0.625 10 10 DCCE Cc1ccc(C(=O)OCCC2CS(=O)(=O)C2)c(O)c1O 790649623 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DCCE CCS(=O)(=O)CCN(C)c1ccc(CO)c([N+](=O)[O-])c1 2188577173 RCSGIOSFQZWJFA-UHFFFAOYSA-N 302.352 0.958 10 10 DCCE CS(=O)(=O)[C@H]1CCN(C(=O)c2cc(O)c(O)c(O)c2)C1 2188926074 ZZQBDIJDZSCNFG-QMMMGPOBSA-N 301.320 0.063 10 10 DCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]1CCSC1 70435976 UEKGXLQOQNOIAL-VHSXEESVSA-N 311.359 0.963 10 10 DCCE CN(C)S(=O)(=O)CCCNC(=O)Nc1ccc(N)cc1 2367614882 WEOGKFNWLGESOM-UHFFFAOYSA-N 300.384 0.672 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCNCc1cccc(Cl)c1O 903967180 ADEWYXBXCLVNRU-NSHDSACASA-N 318.826 0.912 10 10 DCCE C[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(N)cc1 81901734 DORIHXGJDCDHSC-VIFPVBQESA-N 306.409 0.121 10 10 DCCE Oc1ccc(Cl)cc1CN1C[C@H](N2CCOCC2)[C@H](O)C1 1614302285 CMDPBHJTJNDNQL-DZGCQCFKSA-N 312.797 0.923 10 10 DCCE O=C(NCCS(=O)(=O)N1CCCC1)c1cccc(O)c1O 1558590807 COPGUMJWEZWLOL-UHFFFAOYSA-N 314.363 0.253 10 10 DCCE O=C(CCN1CCCS1(=O)=O)NCc1cc(O)ccc1O 1643879125 AZDZXUTUTNTWJV-UHFFFAOYSA-N 314.363 0.140 10 10 DCCE CN(CCN=[N+]=[N-])C(=O)[C@H](CO)CNC(=O)OC(C)(C)C 1887271354 KUJMCXOYQLUGNH-VIFPVBQESA-N 301.347 0.888 10 10 DCCE COC[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 70490816 VNDPNDVNUGYDFA-NSHDSACASA-N 302.396 0.850 10 10 DCCE COC[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1 705817996 CLCLBTZPSCFMPI-CYBMUJFWSA-N 300.380 0.446 10 10 DCCE COCCNCc1ccc(N2CC(O)(CO)C2)cc1Cl 2171950856 JLQKXCVKEYIGGP-UHFFFAOYSA-N 300.786 0.619 10 10 DCCE COc1ccc(N2CC(O)(CN)C2)c(OC)c1Br 2044302830 RXHHILBSNPZUEC-UHFFFAOYSA-N 317.183 0.976 10 10 DCCE COc1ccc(O)c(CNC(=O)N[C@H](C)Cn2cncn2)c1 114593541 MSGZNWGSPXRBCO-SNVBAGLBSA-N 305.338 0.880 10 10 DCCE COC(=O)CC[C@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O 828666811 IXKDCSRKDHOPLJ-CABZTGNLSA-N 310.350 0.859 10 10 DCCE CN(CCS(C)(=O)=O)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 94298814 XGUHEWPSPAFEHS-LLVKDONJSA-N 317.798 0.773 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)[C@H]2CCOC2)cc1 1152914744 OTOJZKPOZOXYAE-JQWIXIFHSA-N 306.322 0.976 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)N1 1332116390 NFMUOYVVLNTUIC-QWRGUYRKSA-N 303.362 0.443 10 10 DCCE CN(C)C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261864954 QQWQERUGDMNVRT-GFCCVEGCSA-N 317.389 0.645 10 10 DCCE C[C@@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1O 2151048985 CFKORZVMOOVVJI-SNVBAGLBSA-N 302.396 0.773 10 10 DCCE CCOC(=O)CCS(=O)(=O)NCc1cc(N)ccc1O 49064020 WJVALTNXUHZVRB-UHFFFAOYSA-N 302.352 0.347 10 10 DCCE C[S@](=O)C1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 380128889 YYJPQHUKQGCVCQ-SFHVURJKSA-N 302.421 0.599 10 10 DCCE Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2O 4096943 ZEACOKJOQLAYTD-QLFBSQMISA-N 322.269 0.743 10 10 DCCE biogenic,in-vitro CCOC(=O)c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 267558151 FZTZPCITUFJKCQ-UHFFFAOYSA-N 306.274 0.890 10 10 DCCE C/C(=C/C(=O)NCc1ccc(O)cc1O)CN1CCOCC1 820540648 TZIFYSZOYKJCAF-WQLSENKSSA-N 306.362 0.993 10 10 DCCE CO[C@@H](CS(=O)(=O)NCc1ccc(O)cc1O)C1CC1 867416313 ABBCJECFIZPHQF-ZDUSSCGKSA-N 301.364 0.942 10 10 DCCE Cc1ccc(O)c([C@H](C)NC[C@]23COCCN2C(=O)COC3)c1 866555083 VRNIQDMGJFPSRW-SUMWQHHRSA-N 320.389 0.979 10 10 DCCE O=S1(=O)CCC(S(=O)(=O)Nc2ccc(O)cc2F)CC1 70333378 LNRICQLABYBFCK-UHFFFAOYSA-N 323.367 0.850 10 10 DCCE COc1ccc(CNCC[C@@H](C)NC(=O)CC(N)=O)cc1C 1668004282 HJHIAHWDJBRJAD-GFCCVEGCSA-N 307.394 0.863 10 10 DCCE C[C@@H]1SC(=S)N(CCC(=O)NC[C@@H]2CCCO2)C1=O 11636018 PUUWXKDYJSGGAK-IUCAKERBSA-N 302.421 0.921 10 10 DCCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@H](C)N)cc1 2152938403 IAMPBUCARMNDCY-VIFPVBQESA-N 321.424 0.537 10 10 DCCE N[S@@](=O)(=N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 2173781804 YVNXNVPZFLCTCO-GSDQLPOLSA-N 300.336 0.598 10 10 DCCE CS(=O)(=O)c1cnn(Cc2cc([N+](=O)[O-])ccc2O)c1N 2070222019 GZQYOIKVMITOGH-UHFFFAOYSA-N 312.307 0.531 10 10 DCCE CSc1ncc(CNC(=O)Cn2cc(C(=O)O)nn2)s1 2284557348 QHSABADQRJSHHW-UHFFFAOYSA-N 313.364 0.471 10 10 DCCE CC[C@@H](C)NC(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 40347381 LBPAQNIWKBOHBP-LLVKDONJSA-N 313.423 0.993 10 10 DCCE Nc1ccc(OCCS(=O)(=O)Nc2ccc(=O)[nH]n2)cc1 227881841 UCWKYILXKCSOQJ-UHFFFAOYSA-N 310.335 0.173 10 10 DCCE C[C@@H](CO)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 270236212 IZNRYLCXOYLHEK-DTWKUNHWSA-N 316.379 0.510 10 10 DCCE Nc1nnc(S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])s1 722226809 ZDMPBGNADHGSEB-UHFFFAOYSA-N 317.308 0.535 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1O 875184120 MHBWMZKUOZQQLR-DGCLKSJQSA-N 308.334 0.770 10 10 DCCE O=C(NCCCSc1nccs1)N1C[C@H](O)C[C@H]1CO 776160708 FBNZIWPOMJIBDA-VHSXEESVSA-N 317.436 0.762 10 10 DCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](CO)NC(N)=O 1162112953 BHVTXVPMQUIJFL-FZMZJTMJSA-N 322.409 0.137 10 10 DCCE O=C(NCc1ccc(O)cc1O)C1C[C@H]2COC[C@@H](C1)C2=O 1339585077 PZZGDGSHIJWUIH-YOGCLGLASA-N 305.330 0.956 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCNC2=O)cc1C 1266961249 IKONPXCRTATHTC-TZMCWYRMSA-N 319.405 0.734 10 10 DCCE COCCn1cc(C(=O)NCc2cccc(OC)c2O)nn1 1566373693 AGHLWFSHWWQULJ-UHFFFAOYSA-N 306.322 0.569 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCN(C(C)C)C3=O)c2n1 2062484661 FGMDDNSXNYZLOG-LLVKDONJSA-N 317.349 0.482 10 10 DCCE Oc1c(Br)cccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2046515235 UUSZDRPFUACCJI-LLHIFLOGSA-N 318.167 0.099 10 10 DCCE CCS(=O)(=O)N(C)Nc1nc([C@@H]2C[C@H]2C(=O)O)cs1 2339782316 WMYSPMBWKHQCGI-RNFRBKRXSA-N 305.381 0.940 10 10 DCCE CCN(CCCNCc1ccc(O)cc1O)S(C)(=O)=O 38035436 BTCPUYNPERIIOU-UHFFFAOYSA-N 302.396 0.859 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)CO 807095492 BCFHCRBTCCIJNL-LBPRGKRZSA-N 307.394 0.516 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC2CCOCC2)cc1 70490667 FJIYXDJVNJTKPP-UHFFFAOYSA-N 300.380 0.746 10 10 DCCE CCC[C@H](C(=O)NCc1c(O)cccc1F)S(N)(=O)=O 1156170096 GLQBFWNGVOBPTQ-LLVKDONJSA-N 304.343 0.605 10 10 DCCE O=C(CCC(=O)N1Cc2cccc(O)c2C1)N1CCC(O)CC1 1332202849 PPNMFNYVJZRRFX-UHFFFAOYSA-N 318.373 0.998 10 10 DCCE CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)CC1 1912147352 XJDMHDZYZWVXCW-SNVBAGLBSA-N 301.372 0.569 10 10 DCCE O=C1N[C@H](C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)CO1 1558626290 SAVQDOCYYYAIIM-LBPRGKRZSA-N 320.345 0.987 10 10 DCCE CN1C[C@@H](O)[C@H](NCc2ccc(Br)cc2O)C1 1942700121 ZZNSFLNFYUMOEM-ZYHUDNBSSA-N 301.184 0.919 10 10 DCCE C[C@@H](CS(N)(=O)=O)NCc1ccc(Br)cc1O 1947447869 WQXHOOVPTIUHPY-ZETCQYMHSA-N 323.212 0.921 10 10 DCCE CN(Cc1c(O)cccc1F)[C@H]1CCN(S(C)(=O)=O)C1 1964598124 OPCDSYOAKAIGDP-JTQLQIEISA-N 302.371 0.997 10 10 DCCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H](C)CO 166814997 ZVIJNNOLQTZZJA-QWRGUYRKSA-N 302.396 0.584 10 10 DCCE O=C(CS(=O)(=O)C[C@H]1CCCO1)c1ccc(O)c(O)c1 2145893307 AWZFJPRJZQHQSH-SNVBAGLBSA-N 300.332 0.874 10 10 DCCE Nc1cccc(Br)c1N[C@H]1CS(=O)(=O)C[C@@H]1O 2008544462 JOZWKPDNOKHLHS-IUCAKERBSA-N 321.196 0.601 10 10 DCCE CC[C@@H](CN)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2160435659 LIWKFLGAFNOJDS-NSHDSACASA-N 321.424 0.537 10 10 DCCE CCS(=O)(=O)NCCN[C@@H](C)c1ccc(OC)cc1O 390096440 OEDCJWDJHIEOEC-JTQLQIEISA-N 302.396 0.991 10 10 DCCE CP(C)(=O)CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2194061553 JKGJCEQMWXEHMJ-JTQLQIEISA-N 300.295 0.707 10 10 DCCE COc1cccc(O)c1CN[C@@H]1COC[C@@H]1S(C)(=O)=O 2207461785 WJGSOWYZWDCYMG-MFKMUULPSA-N 301.364 0.302 10 10 DCCE CC(=O)C(=O)COC(=O)C1(S(=O)(=O)c2ccccc2)CC1 808523422 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Cc1nc([C@@H]2COCCN2C(=O)Cc2ccc(O)c(O)c2)no1 1466825381 NUPWMRKTPFKADS-NSHDSACASA-N 319.317 0.932 10 10 DCCE O=C(NCc1cc(O)ccc1O)c1cnc2n(c1=O)CCS2 1643879672 ZLDSXLOXPGWKPA-UHFFFAOYSA-N 319.342 0.690 10 10 DCCE COCC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 1862278369 UYLBZPQOBMQKTD-UHFFFAOYSA-N 321.377 0.106 10 10 DCCE OCC(CO)(CO)CNCc1c(O)cccc1Br 2059273296 ZAFVFNVEUIWOSN-UHFFFAOYSA-N 320.183 0.208 10 10 DCCE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)C(C)=O 808505590 HJABKXYHRBQSMP-NSHDSACASA-N 319.379 0.282 10 10 DCCE O=C1CNC[C@H](c2cc(I)ccc2O)N1 1952069757 UTOUMYPFLFIEDU-MRVPVSSYSA-N 318.114 0.757 10 10 DCCE CO[C@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1522536849 LYZAFWNGHPICKM-SECBINFHSA-N 321.337 0.730 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1COCCO1 2159993141 SWXYWNWDTDXBEN-GWCFXTLKSA-N 300.380 0.492 10 10 DCCE Nc1ccc(OC[C@H](O)CN2CCC3(CC2)OCCO3)cc1 381400488 OKYDFXUXZWVQLS-CQSZACIVSA-N 308.378 0.847 10 10 DCCE CN1C[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2C1=O 2062829929 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O=C(NCc1ccc(O)cc1O)c1cn(C(F)(F)CO)nn1 1142532998 BWMSDWJNCFHJCV-UHFFFAOYSA-N 314.248 0.161 10 10 DCCE O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1c(O)cccc1F 1354285644 ZTMWDQDADYDFFR-VIFPVBQESA-N 301.339 0.972 10 10 DCCE O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1cccc(O)c1O 1446599856 APCWDNKCXIYIJB-GFCCVEGCSA-N 320.345 0.608 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(CCCO)C1 1468172091 MQRSBJZIBAFABK-ZDUSSCGKSA-N 308.378 0.603 10 10 DCCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccon2)cc1C 1700782921 DFJAYKSRUPOLDL-ZDUSSCGKSA-N 319.361 0.872 10 10 DCCE O=C(CNC(=O)N1CCCC1)NCCc1ccc(O)c(O)c1 1566369925 CVHLWOMWIRABJJ-UHFFFAOYSA-N 307.350 0.562 10 10 DCCE O=C(C=Cc1ccc(O)c(O)c1)N(C1CC1)[C@@H]1COC[C@H]1O 2059789832 OIWQBOYAVIDINB-IUODEOHRSA-N 305.330 0.862 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3CCC[C@@H]3O)c2n1 2062972884 PJLHLODVEHVPDJ-PWSUYJOCSA-N 304.350 0.976 10 10 DCCE COC(=O)c1c(C(F)F)nn2c(O)cc(CC(=O)O)nc12 2080933793 VAOQKNHTOOLIRB-UHFFFAOYSA-N 301.205 0.786 10 10 DCCE C[C@@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCS1(=O)=O 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NOXKUROZOKBLJM-UHFFFAOYSA-N 307.397 0.149 10 10 DCCE O=S(=O)(CCN1CCNCC1)Nc1ccc(O)c(F)c1 722227588 IMJQQRPDNNFLCZ-UHFFFAOYSA-N 303.359 0.178 10 10 DCCE Cc1ccc(C(=O)NC[C@H]2CN3CCCN2CC3)c(O)c1O 854352536 FOLKHLJJMHATHZ-LBPRGKRZSA-N 305.378 0.526 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC=C[C@@H]1CO 1353693220 YGMAVBTWVUNYBZ-OAHLLOKOSA-N 317.389 0.437 10 10 DCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2nnnn2CC1 1639444304 GEFUQAFRKUGPBR-SECBINFHSA-N 303.322 0.353 10 10 DCCE COc1ccc(Br)c(CN[C@@H](C)[C@H](O)CO)c1O 2220462501 MNIAZDMEXISDRE-OIBJUYFYSA-N 320.183 0.995 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 808524194 MNRIQBQNBFUKPI-SECBINFHSA-N 302.290 0.602 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@](O)(CO)C2)c1O 839152896 CWLSPRXXKIUPPE-AWEZNQCLSA-N 312.322 0.628 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 847277609 IERZZTYLJWRSIN-JKSUJKDBSA-N 318.421 0.713 10 10 DCCE COC(=O)C1(CS(=O)(=O)NCc2c(O)cccc2F)CC1 921450903 HCNKCRWJFWNVRG-UHFFFAOYSA-N 317.338 0.904 10 10 DCCE C[C@H](NC(=O)CN1CC(=O)NC1=O)c1ccc(N(C)C)cc1 773012220 WTGUPSDHDNTNJU-JTQLQIEISA-N 304.350 0.482 10 10 DCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC12OCCO2 716011906 XQPWPJDWCOXDDW-FZMZJTMJSA-N 322.361 0.379 10 10 DCCE O=C(O)Cc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12 211642285 DHAHPQHLPJLOGC-UHFFFAOYSA-N 319.313 0.958 10 10 DCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@H](C)C1 1912187587 KZRFGYBSUUPPCN-KOLCDFICSA-N 304.372 0.785 10 10 DCCE CC(=O)C(=O)C1(O)CCN(CCNC(=O)OC(C)(C)C)CC1 1919327066 VXUHQEQIQGLHEG-UHFFFAOYSA-N 314.382 0.496 10 10 DCCE C[C@H](C[S@@](C)=O)N(C)C[C@@H](O)COc1ccc(N)cc1 398875242 BNJUQNMLYOWJIR-JNHSQIPHSA-N 300.424 0.707 10 10 DCCE NC(=O)c1c(NS(=O)(=O)c2cc[nH]n2)sc2c1CCC2 2174730936 ASXQVEBCLOZLBU-UHFFFAOYSA-N 312.376 0.860 10 10 DCCE NCc1ccc(N2CCNCCNCC2)c(Br)c1 2220630902 LLLVULSVROXJDH-UHFFFAOYSA-N 313.243 0.907 10 10 DCCE C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccccc1O 183719234 MPDAOISBRUDTPN-LLVKDONJSA-N 304.350 0.870 10 10 DCCE COCCOCCS(=O)(=O)Nc1ccc(O)c(OC)c1 280555006 JPUKZKQAYROAGT-UHFFFAOYSA-N 305.352 0.806 10 10 DCCE NC(=O)CN1CCN(Cc2c(O)ccc3ccccc23)CC1=O 839168995 DOIKUNPNLIKSLP-UHFFFAOYSA-N 313.357 0.675 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](O)C(C)(C)O)C2)cc1 911275897 IZCARYPLOTVJPU-IUODEOHRSA-N 322.405 0.770 10 10 DCCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@]1(O)CCOC1 925366040 ZVJFYRFECIUYHS-MRXNPFEDSA-N 320.345 0.698 10 10 DCCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)[C@H](CO)C1 1161336538 NGDPKWYTUGUDJA-GZMMTYOYSA-N 309.343 0.738 10 10 DCCE O=C(C(=O)N(CCO)CC(F)F)N1Cc2cccc(O)c2C1 1332060394 JRUGZNNLFJPZAC-UHFFFAOYSA-N 314.288 0.320 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CN2CCN1C[C@@H]2C 1263824309 GHJMIVOETONBFE-STQMWFEESA-N 324.421 0.882 10 10 DCCE COC(=O)C1(O)CN(c2ccc(CO)c(Br)c2)C1 714483935 WZRLHPSVBYHPCK-UHFFFAOYSA-N 316.151 0.666 10 10 DCCE C[C@H](CNCc1cc(Br)ccc1O)S(N)(=O)=O 398430897 UWZGOAILXMQZNA-SSDOTTSWSA-N 323.212 0.921 10 10 DCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(Br)c1 2084797068 GMQMIEBLRBKGOM-WOPDTQHZSA-N 320.158 0.821 10 10 DCCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(=O)N(C)C 70490654 WQUINTRAEWPVHS-JTQLQIEISA-N 315.395 0.044 10 10 DCCE CCCS(=O)(=O)NC1CN(c2ccc(CN)cc2F)C1 2165631235 VNNMBQQDTDYDPG-UHFFFAOYSA-N 301.387 0.802 10 10 DCCE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 398852679 RWMBESWPGKJHAV-YPMLDQLKSA-N 304.437 0.797 10 10 DCCE O[C@H](CNCc1ccc(N2CC=CC2)cc1)CN1CCOCC1 819095771 UDJIJCZZJFVVMN-GOSISDBHSA-N 317.433 0.846 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCNCc1cc(F)ccc1O 903967635 DRZXYOUGASEZLG-LBPRGKRZSA-N 302.371 0.398 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC3CC2(CN)C3)cc1 852755741 CYFMWTFFLMNCGW-UHFFFAOYSA-N 302.422 0.792 10 10 DCCE CCOc1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1 769458622 WSQSTGXAMYGHRH-GFCCVEGCSA-N 314.407 0.914 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)N1Cc2cccc(O)c2C1 871201358 TXSFNPAIXHGUGT-ZDUSSCGKSA-N 312.391 0.808 10 10 DCCE CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(O)cc1O 1626838100 NMPQBGCZWWVIOP-UHFFFAOYSA-N 309.366 0.170 10 10 DCCE COc1ccc(CN[C@@H](CNC(=O)C(N)=O)C(C)C)cc1C 1715501663 AOEROIWINXHVCS-ZDUSSCGKSA-N 307.394 0.719 10 10 DCCE CN1CC(=O)N(CCCC(=O)NCc2c(O)cccc2O)C1=O 1597568881 JFCVYBMHXKTVLJ-UHFFFAOYSA-N 321.333 0.388 10 10 DCCE COCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1688037275 KPWVRJJPIADKIT-PHIMTYICSA-N 323.349 0.122 10 10 DCCE COCCN1C[C@H](O)[C@H](NCc2cnc(SC)s2)C1 2269195286 SXUOVEKXPFOUAJ-MNOVXSKESA-N 303.453 0.646 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2CO[C@@H]3CNC[C@@H]3O2)s1 2284494267 LNLVLYLWFGHDEF-UTLUCORTSA-N 315.420 0.237 10 10 DCCE CSc1ncc(CN[C@]2(C(=O)O)CCOC[C@H]2N)s1 2350654901 HLPATVIBAMWJFI-LDYMZIIASA-N 303.409 0.526 10 10 DCCE CC(=O)C(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 808541075 CKTBTTPZFMRYFY-MRXNPFEDSA-N 319.313 0.095 10 10 DCCE COC(=O)[C@]1(OC)CCN(Cc2cc3c(cc2O)OCO3)C1 862474709 YULOSIPNDYEJSU-HNNXBMFYSA-N 309.318 0.885 10 10 DCCE CN(C)c1ccc([C@@H](NC(=O)C(=O)O)c2nccn2C)cc1 1866099878 TUBIPKFHMFAQEB-GFCCVEGCSA-N 302.334 0.776 10 10 DCCE NC(=O)CCCN1C(=O)Cc2cc(N3CCNCC3)ccc21 259551997 WDYLKVCDXRLGFO-UHFFFAOYSA-N 302.378 0.251 10 10 DCCE C[S@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)C1CNC1 1876174588 PQTFEYCIHWBCGD-GOSISDBHSA-N 303.409 0.168 10 10 DCCE CS(=O)(=O)N1CCCN(Cc2cccc(F)c2O)CC1 272257983 JOZZHZLRKJOHMG-UHFFFAOYSA-N 302.371 0.999 10 10 DCCE O=C(O)[C@@H](NCc1c(O)cccc1Cl)C1CS(=O)(=O)C1 2197526218 RJDUEVCTCCLLEE-NSHDSACASA-N 319.766 0.633 10 10 DCCE Cc1ccc(CN[C@@H]2CONC2=O)c(O)c1Br 2307480635 WKTCVVFLTVHTJK-MRVPVSSYSA-N 301.140 0.983 10 10 DCCE O[C@H](CNCc1ccc(N2CCOCC2)cc1)Cn1cccn1 818972976 KAKSEGAQURXQEW-QGZVFWFLSA-N 316.405 0.870 10 10 DCCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H]([C@@H](C)O)C3=O)C2)cc1 924978163 LQFKUUJKZCLSCM-OSMZGAPFSA-N 319.361 0.575 10 10 DCCE CN(C)c1ccc(CNC(=O)c2cnc(O)n(C)c2=O)cc1 751459390 YCQBMBDXOICJFD-UHFFFAOYSA-N 302.334 0.482 10 10 DCCE COc1ccc(N2CCN(C(=O)Cc3cnnn3C)CC2)cc1 854198653 NIAACESGOSATTH-UHFFFAOYSA-N 315.377 0.715 10 10 DCCE CN(CCNCc1ccc(F)c(F)c1O)CCOCCO 895661781 KDZQYSQWHCNVLF-UHFFFAOYSA-N 304.337 0.701 10 10 DCCE CN1CCN(C(C)(C)CNC(=O)c2cccc(O)c2O)CC1 1144190433 ZHHQHNZURLBDFZ-UHFFFAOYSA-N 307.394 0.854 10 10 DCCE COCCOCCCNS(=O)(=O)Cc1ccc(N)cc1 224150188 NZJGGTIFUCUNLT-UHFFFAOYSA-N 302.396 0.741 10 10 DCCE Cn1cncc1[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 1470567490 AKWWDWJXYGPDMA-MZBZXASESA-N 303.318 0.694 10 10 DCCE O=C(NC[C@]12COCCN1C(=O)OC2)c1cccc(O)c1O 1587636376 OSPLKJWBWCZQBZ-CQSZACIVSA-N 308.290 0.049 10 10 DCCE CNCc1ccc(N2CC(=O)NC(=O)C2)cc1Br 234422797 VFSYLWHQUZRVHK-UHFFFAOYSA-N 312.167 0.631 10 10 DCCE OCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Br 698121979 GLEGNKXBEFMIMY-QWRGUYRKSA-N 302.168 0.873 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234170236 BPTUFWSCFYGSPP-OPRDCNLKSA-N 301.372 0.758 10 10 DCCE COc1ccc(N2CCN(C[C@@H](O)CO)CC2)cc1Cl 2235231847 XASKPGATBDYKGM-GFCCVEGCSA-N 300.786 0.824 10 10 DCCE CSc1ncc(CN=c2ccc(S(N)(=O)=O)c[nH]2)s1 2270926011 HMAQCZXOJCHREX-UHFFFAOYSA-N 316.433 0.941 10 10 DCCE CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc(CN)cc2F)C1 2279253531 GXKGRNGBDAAHHV-LLVKDONJSA-N 301.387 0.755 10 10 DCCE O=C(C(=O)N1CC[C@H](CCCO)C1)N1Cc2cccc(O)c2C1 1348653708 ZIHJMXRFVDPQLH-LBPRGKRZSA-N 318.373 0.855 10 10 DCCE CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 272552023 BBERMLOCHBQDFA-SNVBAGLBSA-N 307.350 0.940 10 10 DCCE COc1ccc(O)c(CNc2ccc(C(=O)NCCO)nn2)c1 811805935 FQMHGSGETWWFHU-UHFFFAOYSA-N 318.333 0.525 10 10 DCCE COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 841052066 ZGDVGYZKTQGFBR-JTQLQIEISA-N 305.334 0.619 10 10 DCCE CS(=O)(=O)Nc1nc(CC(=O)N2CC(N=[N+]=[N-])C2)cs1 1912194695 BGVVOUXCGWUSRK-UHFFFAOYSA-N 316.368 0.578 10 10 DCCE CCOC(=O)C[C@@H](O)C(=O)N[C@H](C)c1cc(OC)ccc1O 1631541856 BMFOPJIUSKZIBB-NOZJJQNGSA-N 311.334 0.892 10 10 DCCE CN(C)c1nc(N)nc(C(=O)N2Cc3cccc(O)c3C2)n1 1643169815 UXDCMEXHJGKIFY-UHFFFAOYSA-N 300.322 0.381 10 10 DCCE O=C1NC(=O)[C@]2(CCCN(C(=O)c3c(F)ccc(O)c3O)C2)N1 1648751496 JCCVIOBJSDPHAQ-CQSZACIVSA-N 323.280 0.051 10 10 DCCE CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CC(=O)NC1=O 1583782497 CQJZJYGDJMCVRF-JTQLQIEISA-N 317.305 0.726 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H](CO)CO2)cc1 2157532150 LAGSCKCFCICDJG-AAEUAGOBSA-N 300.380 0.086 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@]23COC[C@H]2C3(F)F)cc1 2161873227 ZLCOKURZSSOKAL-MNOVXSKESA-N 304.318 0.722 10 10 DCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1cc(C)c(O)cc1C 722228801 OAVSJTADDTUHOD-OLZOCXBDSA-N 300.380 0.738 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)C1 2197931321 NDLYNSVWXMQTGX-UWVGGRQHSA-N 301.372 0.905 10 10 DCCE COC(=O)[C@@H](CNCc1cnc(SC)s1)NC(C)=O 2269121805 RTARIHVLKVETEG-SECBINFHSA-N 303.409 0.632 10 10 DCCE Cc1ccc(CN[C@H]2CONC2=O)c(O)c1Br 2307480636 WKTCVVFLTVHTJK-QMMMGPOBSA-N 301.140 0.983 10 10 DCCE CN1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 59859763 CTYUKKOFTGNRAL-JLHYYAGUSA-N 315.329 0.615 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 170245280 ZKCPEWFECNBBHV-MWLCHTKSSA-N 313.375 0.580 10 10 DCCE NCc1ccc(N2CC[C@](O)(C(N)=O)C2)cc1Br 381137482 BRBGNIOJMPWMFJ-GFCCVEGCSA-N 314.183 0.334 10 10 DCCE O=C(NCCCN1CCCS1(=O)=O)c1cc(O)cs1 732281935 GQUWCSDGSPWHQI-UHFFFAOYSA-N 304.393 0.609 10 10 DCCE O=C1C[C@@]2(CCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)CN1 788382904 HUGABQHMUAGCQG-BBRMVZONSA-N 304.346 0.530 10 10 DCCE Cn1ncc(C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)n1 792042705 WFUALFJOSKHORH-HYXAFXHYSA-N 303.274 0.666 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)OC)cc1C 1331680340 BQESOMSQHKQUOO-GXTWGEPZSA-N 310.394 0.605 10 10 DCCE Cn1nnc(Br)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912177005 BHDZRQHYJAZLMS-UHFFFAOYSA-N 322.148 0.261 10 10 DCCE O=C(CCN1CCCS1(=O)=O)NCc1ccc(O)cc1O 1451772036 SXYXZUHMGCSMIE-UHFFFAOYSA-N 314.363 0.140 10 10 DCCE O=C(CCCN1C(=O)CCC1=O)NCc1ccc(O)cc1O 1451772382 VNWDAHAHRPEHEM-UHFFFAOYSA-N 306.318 0.643 10 10 DCCE CN(C)CCN(C)CCCNC(=O)Cc1ccc(O)c(O)c1 1556897738 RBVBBSFMWPVRLV-UHFFFAOYSA-N 309.410 0.640 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1640264684 DINPIPXBHZMGEV-GDLCADMTSA-N 303.362 0.512 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)cc1C 1699421053 YSEOUWNBWCOPAQ-AAEUAGOBSA-N 320.393 0.279 10 10 DCCE CCOC(=O)NS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168540 QFNDERURSPLZAM-UHFFFAOYSA-N 305.268 0.703 10 10 DCCE COc1cc([N+](=O)[O-])cc(C=C2C(=O)NC(=O)N(C)C2=O)c1O 2297329721 VPEALICDLDXGOA-UHFFFAOYSA-N 321.245 0.401 10 10 DCCE COc1ccc(N2CCCN([C@@H]3CC(=O)N(C)C3=O)CC2)cc1 128787159 UNWVJVWAFLAHGS-OAHLLOKOSA-N 317.389 0.965 10 10 DCCE O=C(NCC(F)F)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 147968106 CZKTVZSIAQLAMX-SSDOTTSWSA-N 304.249 0.658 10 10 DCCE Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)nn1 238953984 XNTCDRATGYEEJO-LLVKDONJSA-N 316.317 0.885 10 10 DCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 243790849 QKQNTZAUKROYOK-NSHDSACASA-N 313.375 0.676 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C 808525216 WIBZAOJCMOJUHP-MRVPVSSYSA-N 304.302 0.778 10 10 DCCE Cc1cc(O)c(CN2CC(n3cc(C(N)=O)nn3)C2)cc1C 839143047 MAEMPICYWXVFFU-UHFFFAOYSA-N 301.350 0.756 10 10 DCCE O=C1CNC[C@@H](c2cc(I)ccc2O)N1 1952069759 UTOUMYPFLFIEDU-QMMMGPOBSA-N 318.114 0.757 10 10 DCCE NC(=O)[C@H]1CCCN(c2ccc(CNC3=NCCCN3)cc2)C1 750543450 ZHXOAHJORHHIHE-AWEZNQCLSA-N 315.421 0.827 10 10 DCCE Cc1cc(O)c(CNC2CN(S(=O)(=O)N(C)C)C2)cc1C 858311435 GPLMJKSAFFKAIR-UHFFFAOYSA-N 313.423 0.589 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)Cc1cnn(C)c1 787253631 RCXVVHYXSJJYBW-MEBBXXQBSA-N 319.361 0.482 10 10 DCCE CCN(CCC(=O)OC)S(=O)(=O)Cc1ccc(N)cc1 694483671 ALGQGCDKLMBXPH-UHFFFAOYSA-N 300.380 0.984 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNCCO)cc1 1274631206 JBGZAWRPEBQTEN-YUVMKZSJSA-N 305.338 0.717 10 10 DCCE CS(=O)(=O)c1sccc1[C@@H](NCCCN=[N+]=[N-])C(N)=O 1912146294 AOQFIJBQXKTBTK-MRVPVSSYSA-N 317.396 0.968 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN3NC(=O)C[C@H]3C)nc12 1559893785 FRWGDWXJUXSFDS-MRVPVSSYSA-N 319.321 0.237 10 10 DCCE CC1=C(C(=O)NCc2ccc(O)cc2O)S(=O)(=O)CCO1 1626837914 JXPAVSCVUFNXSW-UHFFFAOYSA-N 313.331 0.391 10 10 DCCE Nc1nnn(CC(=O)NCc2ccc(N3CCCC3)cc2)n1 1629758905 WSPPXPOEKCMZKU-UHFFFAOYSA-N 301.354 0.172 10 10 DCCE Cn1nccc1[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1644161422 MSUCVYLTMDISBP-ZDUSSCGKSA-N 317.345 0.974 10 10 DCCE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cc(O)cs2)n1 1597722504 VCIBKZCCKNYOQC-UHFFFAOYSA-N 316.364 0.046 10 10 DCCE COC(=O)c1c(O)c(O)cc2oc3c(c(=O)c12)CO[C@](C)(O)C3 225447898 ASPYFUBXNRBCEV-HNNXBMFYSA-N 322.269 0.772 10 10 DCCE biogenic COc1cc(Cl)cc(CNC[C@H](C)S(N)(=O)=O)c1O 398272004 HLGLARCTRBINFZ-ZETCQYMHSA-N 308.787 0.821 10 10 DCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 2200861381 LYOBOCBEFHFNRD-YWVKMMECSA-N 322.144 0.690 10 10 DCCE CNC(=O)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 175277665 UDZXTHIXEUEFAC-UHFFFAOYSA-N 322.320 0.938 10 10 DCCE C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 123677400 SNXOEWJQNFUHRA-SNVBAGLBSA-N 324.356 0.335 10 10 DCCE C[C@](F)(CN)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2164491415 GTVOZHOMMLCFLX-JTQLQIEISA-N 307.303 0.729 10 10 DCCE COC(=O)/C=C/c1ccc(N2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 828563448 DHOVRSMVSJDUBV-OGOUPESXSA-N 322.317 0.979 10 10 DCCE CC[S@@](C)(=O)=NS(=O)(=O)NCc1c(O)cccc1F 921451238 MMXALCPEVVQCBE-GOSISDBHSA-N 310.372 0.983 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cncn3)C2)cc1 855233300 WYRSYOCYRJZQEG-GFCCVEGCSA-N 301.350 0.682 10 10 DCCE COc1cc(O)c(CNCCC2CS(=O)(=O)C2)cc1OC 1320762791 UOIHCRVXDZUELG-UHFFFAOYSA-N 315.391 0.934 10 10 DCCE COc1ccc(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)c(O)c1 1448389556 ZSVPMPVOLPRKHI-SNVBAGLBSA-N 318.333 0.577 10 10 DCCE CN1C(C)(C)[C@@](O)([C@H](N)c2ccccc2O)CS1(=O)=O 1920280975 KSQUUDPHKSZDND-YPMHNXCESA-N 300.380 0.177 10 10 DCCE CC(=O)O[C@H]1CO[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 169386698 LMAJKBXVWKPVDF-ZRUFSTJUSA-N 301.255 0.448 10 10 DCCE C[C@H]1CN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C[C@H](C)O1 1857878733 KIWBGCHGAFCWPG-UWVGGRQHSA-N 302.338 0.494 10 10 DCCE COC[C@H](NCc1c(O)cccc1Br)C(N)=O 1947017228 PUWYLICFVVOFST-VIFPVBQESA-N 303.156 0.745 10 10 DCCE C[C@@H](c1c(O)cccc1O)N(C)CCN(C)S(C)(=O)=O 2146944342 UWDNPNVVXMNYTK-JTQLQIEISA-N 302.396 0.982 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)C(=O)N3CCCC3)c2n1 2062980177 UEFIWGQGMVURBZ-JTQLQIEISA-N 317.349 0.484 10 10 DCCE C[P@@]1(=O)C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@@H](O)C1 2177844782 GJLYZRYCCKEHPV-UYSIFFEZSA-N 318.335 0.424 10 10 DCCE COC[C@@]1(C(=O)NCc2cnc(SC)s2)CNCCO1 2284495811 CPDJDBZOWRARKO-GFCCVEGCSA-N 317.436 0.486 10 10 DCCE COC(=O)CCS(=O)(=O)NCCc1ccc(O)c(O)c1 1188402831 PTZWRIUSEJOQJA-UHFFFAOYSA-N 303.336 0.123 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@@H]3CN)C2)cc1 852900438 LTVSAWXMIVUWHF-VBNZEHGJSA-N 319.405 0.754 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)Cc3cnnn3C)C2)cc1 855225111 OBZLVXGLJLDNTQ-LBPRGKRZSA-N 315.377 0.761 10 10 DCCE CC1=C(C(=O)N2Cc3cccc(O)c3C2)S(=O)(=O)CCO1 871204316 XWNJBMCIZZJXGF-UHFFFAOYSA-N 309.343 0.911 10 10 DCCE CCN(Cc1cn(C)nn1)Cc1cc2c(cc1O)OC[C@@H]2O 781579693 DRYKKDRHLKHIKI-AWEZNQCLSA-N 304.350 0.969 10 10 DCCE CCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)CS(C)(=O)=O 1136788680 USIALALUXHXKHI-SNVBAGLBSA-N 315.391 0.922 10 10 DCCE CCN1CCN(CC(=O)NCc2ccc(OC)cc2O)CC1 794379389 QTXUCAQBDRWLKX-UHFFFAOYSA-N 307.394 0.655 10 10 DCCE CS(=O)(=O)NC1CCN(c2ccc(CN)cc2F)CC1 702990795 ALUNSEACVPOSLC-UHFFFAOYSA-N 301.387 0.802 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCNC12CCC2 1335253383 FUGPMZTYWDZADC-CQSZACIVSA-N 317.389 0.751 10 10 DCCE NC(=O)c1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 1645360845 LZXWAHZVRVKEMI-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H](C)n3cnnn3)CC2)cc1 1873831279 ALEZDPJNJKZBRQ-LBPRGKRZSA-N 316.365 0.592 10 10 DCCE CN(C)c1ccc(/C=c2\sc3nc(CN)nn3c2=O)cc1 1857924449 CUCNMGPVRCGBIW-XFFZJAGNSA-N 301.375 0.223 10 10 DCCE C[C@@H](O)CCN(C)S(=O)(=O)CCOc1ccc(N)cc1 135516391 BALZZOKOCISZDA-LLVKDONJSA-N 302.396 0.680 10 10 DCCE CN(CCN(C)S(C)(=O)=O)C(=O)Nc1ccc(N)cc1 2146917428 HUMKKMUZKQYWMZ-UHFFFAOYSA-N 300.384 0.624 10 10 DCCE CS(=O)(=O)N1CC[C@H](CNCc2ccc(F)cc2O)C1 293743932 XKKADDNQAVJWHA-SNVBAGLBSA-N 302.371 0.902 10 10 DCCE Cc1cc(NS(=O)(=O)N2CCC[C@H]2C(=O)O)ccc1O 689189260 HHRNHVZFLJFPFE-JTQLQIEISA-N 300.336 0.906 10 10 DCCE CC1(C)OC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@H]1O 2199479846 KRNXCEGMQKJNDY-VXGBXAGGSA-N 300.380 0.227 10 10 DCCE Cc1ccc(CNC(=O)[C@H](O)CN)c(O)c1Br 2307463043 FGYPCVBAIDSOAP-MRVPVSSYSA-N 303.156 0.399 10 10 DCCE CC(=O)N(C(=O)C(=O)NC[C@H]1CCCO1)c1ccc(N)cc1 170318193 VPWXYOIEQPYTBW-CYBMUJFWSA-N 305.334 0.444 10 10 DCCE COc1ccc(N2CC[C@@H](CNC(=O)CNC(N)=O)C2)cc1 819580714 NXNFYXZCZRKKCD-NSHDSACASA-N 306.366 0.306 10 10 DCCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)c1 818361308 IOVHSODJVPDVKV-JOYOIKCWSA-N 320.345 0.977 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 851684424 BFCYHCFGBJYHDW-ZIAGYGMSSA-N 322.384 0.267 10 10 DCCE COC[C@H](CS(=O)(=O)NCc1c(O)cccc1F)OC 921450541 ALSSXDYLZDNPRY-SECBINFHSA-N 307.343 0.612 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 855227273 WXCYGZGSJTZWOW-BXUZGUMPSA-N 303.362 0.526 10 10 DCCE NC[C@@H]1CC(C(=O)NCc2c(O)ccc3c2CCCC3)=NO1 852884589 LYZZHHMDEIMYNY-NSHDSACASA-N 303.362 0.991 10 10 DCCE CN1CCCc2cc(CNC(=O)CCc3nn[nH]n3)ccc21 865054842 VGICESUZOOPZNN-UHFFFAOYSA-N 300.366 0.831 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NCCc1cnn(C)c1 1344755262 BSNVENSECKITHR-UHFFFAOYSA-N 316.361 0.443 10 10 DCCE COc1ccc(O)c(CNC(=O)C2(N3CCOCC3)CC2)c1 866766749 CLVRSAGOKQEXBP-UHFFFAOYSA-N 306.362 0.882 10 10 DCCE Cc1cc(C(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1ccccn1 871125704 CXADVMGZYLFEKA-GXTWGEPZSA-N 303.362 0.961 10 10 DCCE C[C@@H](CO)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O 770109025 CUPZFLHXOARJMD-QMMMGPOBSA-N 302.352 0.217 10 10 DCCE C[C@@H]1COC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 699498829 RKKPGMYSWNGXFF-MFKMUULPSA-N 300.380 0.602 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CCC2(C1)CC1(C2)OCCO1 1917293980 LHWBUEJASPRYKD-UHFFFAOYSA-N 306.318 0.862 10 10 DCCE CN1CCN(CCCN(C)C(=O)Cc2ccc(O)c(O)c2)CC1 1465203045 JWCHQSUAYCJJGF-UHFFFAOYSA-N 321.421 0.736 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCNC1=S 1472464610 CZJLDROKZJREJM-RQOWECAXSA-N 307.375 0.417 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CN2CCN1C[C@H]2C 1263824304 GHJMIVOETONBFE-OLZOCXBDSA-N 324.421 0.882 10 10 DCCE CCOC(=O)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 49061742 RXEIRJMMZSHCMJ-UHFFFAOYSA-N 303.292 0.395 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](C)[C@H](CO)C3)c2n1 2062144945 VKFFQFBNGCNJEY-ONGXEEELSA-N 304.350 0.834 10 10 DCCE CO[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1O 2187376764 YTPRVPYHHHKQFT-RWMBFGLXSA-N 300.380 0.227 10 10 DCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2289497763 KPSAMIJBQGNRIQ-DURYJLSESA-N 301.770 0.544 10 10 DCCE CC(C)CCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 111657103 XMFOZEMMTHLZSZ-UHFFFAOYSA-N 313.423 0.932 10 10 DCCE COc1cccc(CNC(=O)C(=O)Nc2c(C)cnn2C)c1O 850378333 YQZAFPHLKFSXHL-UHFFFAOYSA-N 318.333 0.698 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNC[C@H]2COCCN2C)c1O 862508665 WGHGZULMKGHTLB-NSHDSACASA-N 311.338 0.729 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1C(N)=O 787510172 DSLFLGJSHBGWIO-SECBINFHSA-N 315.329 0.953 10 10 DCCE NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 1147377327 LEILGCWOGSCNPU-SFYZADRCSA-N 322.342 0.373 10 10 DCCE C[S@@](=N)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1457981015 JGNWDESFHOMZFN-NRFANRHFSA-N 317.342 0.586 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H](F)[C@H](F)C2)cc1 714653548 CZCBFIJKMDVYPU-VXGBXAGGSA-N 306.334 0.969 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC[C@H]2COC[C@@H]2O)cc1 2167629395 OQYRPMMFFBIMHU-AAEUAGOBSA-N 300.380 0.086 10 10 DCCE Cn1cc([C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2)cn1 1631442164 YNJMRXIKXDFYDL-ZDUSSCGKSA-N 316.361 0.547 10 10 DCCE C[C@@H](O)c1cc(F)c(N2CC(NS(C)(=O)=O)C2)c(F)c1 2194517461 YGVWCSAFCIUDRE-SSDOTTSWSA-N 306.334 0.756 10 10 DCCE CCN(C[C@@H](C)N)S(=O)(=O)CCOc1ccc(N)cc1 2191537596 VYEVWLARZCDYOA-LLVKDONJSA-N 301.412 0.647 10 10 DCCE CNCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 722222194 MXKMGRVQTBYDLS-UHFFFAOYSA-N 321.424 0.328 10 10 DCCE NC(=O)NCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 735520398 ZXUNAUFGQHLNCN-GFCCVEGCSA-N 307.350 0.568 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNCC[C@@]2(O)CCOC2)c1O 846049695 PPECVOBEWFKWFS-CQSZACIVSA-N 312.322 0.940 10 10 DCCE C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1c(O)cccc1F 928708721 RMZIOWXPOJOSPL-OQPBUACISA-N 310.325 0.423 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](O)C2)C1 1912197503 UZYXFGJPBSPOQT-WDEREUQCSA-N 303.388 0.710 10 10 DCCE CC(C)N[C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1700808482 PZQMZDIJXSZBQU-GFCCVEGCSA-N 307.354 0.938 10 10 DCCE CC[C@H](O)Cn1cc(C(=O)NCc2cccc(OC)c2O)nn1 1631539999 IZCPDRVLKLWMKD-NSHDSACASA-N 320.349 0.693 10 10 DCCE C[C@@H](C(=O)NCc1cccc(O)c1O)[C@H](C)S(C)(=O)=O 1633515716 NEKPMNOASHHAAJ-BDAKNGLRSA-N 301.364 0.783 10 10 DCCE COc1ccc(CN[C@@H](CNC(=O)C(N)=O)C2CC2)cc1C 1731407105 VRDJMCXRMVXNCT-ZDUSSCGKSA-N 305.378 0.473 10 10 DCCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2cnnn2)cn1 1643104236 RDWALHNJKWMIQY-UHFFFAOYSA-N 312.289 0.399 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1c(O)cccc1Cl 2143710936 BZZDUAASHVGTSK-NWDGAFQWSA-N 316.810 0.616 10 10 DCCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)S(C)(=O)=O 697600179 DXWZWZBWYUCIAO-SECBINFHSA-N 306.409 0.121 10 10 DCCE CCCNCCNS(=O)(=O)CCOc1ccc(N)cc1 2191631773 QRUYIXGLDSHXNJ-UHFFFAOYSA-N 301.412 0.567 10 10 DCCE NOCCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366912005 PVDIYGZRCSVJAM-UHFFFAOYSA-N 302.352 0.066 10 10 DCCE COc1ccc(N2CCN(C(=O)CNC(=O)N(C)C)CC2)cc1 41428782 KZLGNGNDKPYMKF-UHFFFAOYSA-N 320.393 0.615 10 10 DCCE O=C(NCc1ccccc1O)c1cn([C@@H]2CCCNC2)nn1 818214061 ONNFSNHODLOLHZ-GFCCVEGCSA-N 301.350 0.838 10 10 DCCE CN1CCO[C@@H](CS(=O)(=O)N2Cc3cccc(O)c3C2)C1 867690201 CLRMFSTYMFGNOI-GFCCVEGCSA-N 312.391 0.368 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1N 1335710660 BYSNHCFIWDHIIS-ZWNOBZJWSA-N 303.362 0.430 10 10 DCCE CCOCCOC[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O 1611237680 NUMQCPMDVIJVJM-VIFPVBQESA-N 317.313 0.381 10 10 DCCE COCCNC[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1667939463 LCNXGBQZGJDVAY-GFCCVEGCSA-N 323.353 0.176 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCC[C@H]1C=NNC1=O 1179689762 YVRGTHWPJGXGLU-MALLOTDXSA-N 303.318 0.739 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CCC4(C3)OCCO4)cc2N1 2145827148 YBIVJVANTZZUQK-UHFFFAOYSA-N 321.289 0.879 10 10 DCCE CCOC(=O)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 36337265 KLHWZHNFRFFBKK-UHFFFAOYSA-N 300.336 0.185 10 10 DCCE CC[C@@H](CNS(=O)(=O)CCOc1ccc(N)cc1)OC 313407481 UYUGFWZBTSLBEE-LBPRGKRZSA-N 302.396 0.992 10 10 DCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1cc(Cl)ccc1O 2201090279 JEXAWNBKWBWLGM-WOPDTQHZSA-N 301.726 0.426 10 10 DCCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)[C@@H](C)O)s1 2269092135 DQDOPHMWEWRTDV-VDTYLAMSSA-N 305.381 0.498 10 10 DCCE COCC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1 188231647 BYSDRGAHUCQHKT-UHFFFAOYSA-N 320.393 0.409 10 10 DCCE CCN(CC(N)=O)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 588573953 SCQZCEXJLUFPHC-YVMONPNESA-N 317.389 0.870 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2COC(=O)N2)cc1 846442542 SGJVZRDOUIKIAL-ZDUSSCGKSA-N 307.350 0.698 10 10 DCCE COc1ccc(N2CC[C@H](NS(=O)(=O)c3ncc[nH]3)C2)cc1 867497447 PTLDHOWKFDUUNQ-NSHDSACASA-N 322.390 0.976 10 10 DCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1cc(O)ccc1O 1176754997 JYNVKMOLFLSPPK-UHFFFAOYSA-N 318.333 0.109 10 10 DCCE O=C1CC[C@]2(C(=O)NCc3cccc(O)c3O)SCCN12 1528771806 ZLMMKLSMHSICCY-CQSZACIVSA-N 308.359 0.780 10 10 DCCE Cc1nc([C@H]2COCCN2C(=O)Cc2ccc(O)c(O)c2)no1 1466825380 NUPWMRKTPFKADS-LLVKDONJSA-N 319.317 0.932 10 10 DCCE C[C@]1(CO)CCN1S(=O)(=O)CCOc1ccc(N)cc1 2153570309 SMYJELGNWWFVPG-CYBMUJFWSA-N 300.380 0.434 10 10 DCCE Cc1cc(O)cc(C)c1NS(=O)(=O)CCS(C)(=O)=O 2231239542 NSPHXVZSMUEVCH-UHFFFAOYSA-N 307.393 0.795 10 10 DCCE O=C(O)CCCN/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 108468024 FBUVDFLJDWTPJQ-PKNBQFBNSA-N 317.301 0.608 10 10 DCCE CO[C@@H](CCS(C)(=O)=O)CNCc1ccc(O)cc1O 2364088129 XJNUJUDLJLGYSU-LBPRGKRZSA-N 303.380 0.637 10 10 DCCE COc1ccc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c1 271832534 PBJNEMJBRZVPHE-UHFFFAOYSA-N 321.421 0.997 10 10 DCCE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1 807668682 DUCABEHRGHZGAB-SNVBAGLBSA-N 318.420 0.950 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 808503957 XNTFYNFSQBOUTB-LBPRGKRZSA-N 319.313 0.698 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN(C[C@@H](O)CO)C(C)C)c1O 817417963 WEGYXWUUFQIOFW-LLVKDONJSA-N 314.338 0.873 10 10 DCCE CN1CCCc2cc(CNC(=O)CCNC(=O)CO)ccc21 906454176 DAAFZCZPTCBMDO-UHFFFAOYSA-N 305.378 0.184 10 10 DCCE O=C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C2(CN1)COC2 921802383 QLKSYWKPYWOLGL-RQOWECAXSA-N 318.329 0.229 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCOC(=O)N3)C2)cc1 862159552 UBVUZPQZKBOCNQ-RISCZKNCSA-N 319.361 0.889 10 10 DCCE COc1ccc(CNC(=O)N[C@H](C)Cn2cncn2)c(O)c1 792903262 GULAXNJQJQWDID-SNVBAGLBSA-N 305.338 0.880 10 10 DCCE CCN1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1331939183 VABYJJKGZZOUEP-UHFFFAOYSA-N 317.389 0.789 10 10 DCCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)cc1C 1274739889 JZBUVMIPWBYECB-YPMHNXCESA-N 321.377 0.706 10 10 DCCE COc1ccc(-n2nnnc2CN(C)C[C@@H](C)NC(C)=O)cc1 1483303839 UJKDDFWVKAYEHY-LLVKDONJSA-N 318.381 0.627 10 10 DCCE COC(=O)c1cc(C(=O)NCc2cccc(O)c2O)n(C)n1 1558162055 UDRFMDZZYBBAEA-UHFFFAOYSA-N 305.290 0.548 10 10 DCCE COc1cc(Cl)cc(CNCC2(S(N)(=O)=O)CC2)c1O 714006662 CXCBBKCVNWQNEY-UHFFFAOYSA-N 320.798 0.965 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC(F)(F)CN2)cc1 2191634965 QZVPYOWZKKZISI-NSHDSACASA-N 305.350 0.685 10 10 DCCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2203005728 ATWFUSXVMYQXTN-VXGBXAGGSA-N 316.810 0.924 10 10 DCCE Nc1c(I)ccc([C@@H]2CNCCN2)c1O 238580723 DGVNYOALAWDZJZ-QMMMGPOBSA-N 319.146 0.813 10 10 DCCE CC(=O)C(=O)COC(=O)CCc1c(C)nc2cc(O)nn2c1C 808510141 FWDVWDJHBSWEOU-UHFFFAOYSA-N 319.317 0.686 10 10 DCCE COc1cccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)c1O 787132220 WWBCRYGXGAZWJN-LBPRGKRZSA-N 305.334 0.354 10 10 DCCE CC(=O)N1CCN(Cc2ccc(N3CCNCC3)cc2)CC1 84857402 RGFPMWUMNYYZLT-UHFFFAOYSA-N 302.422 0.760 10 10 DCCE CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912191497 SDBZWHNZMTZETM-SECBINFHSA-N 310.401 0.383 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CN(C2CC2)C(=O)O1 1452416270 HIYMIDQCYOHHJT-LLVKDONJSA-N 306.318 0.740 10 10 DCCE O=C1NCCO[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)[C@H]12 1471420116 VTAFABGOULFZJT-ZFWWWQNUSA-N 320.345 0.146 10 10 DCCE CN(C)CCn1cc(C(=O)NCc2cc(O)ccc2O)cn1 1471661754 ANKKMYCQNQLSAE-UHFFFAOYSA-N 304.350 0.786 10 10 DCCE NC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1629320112 OYQMECKFKOONNN-HNNXBMFYSA-N 300.314 0.983 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1635870690 HYZOVQCJZLFSSD-QMTHXVAHSA-N 309.318 0.335 10 10 DCCE Nc1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1 391149190 WAADUMIBZXUWRE-UHFFFAOYSA-N 313.361 0.786 10 10 DCCE CCOc1cccc(CNCCC(=O)Nc2nn[nH]n2)c1O 1857852207 MGAAUNOOEKLCBB-UHFFFAOYSA-N 306.326 0.422 10 10 DCCE COCCOCC[S@@](=O)CC(=O)Nc1ccc(N)cc1 2145903066 KTUSYKYCCZYSGW-HXUWFJFHSA-N 300.380 0.619 10 10 DCCE C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1ccc(N)cc1 166985044 PVDMQZGUSLLNKJ-ZWNOBZJWSA-N 300.380 0.180 10 10 DCCE NC(=O)COC1CN(c2ccc(CO)cc2Br)C1 2028717905 GMAHZCQKNZOQNE-UHFFFAOYSA-N 315.167 0.632 10 10 DCCE CN1CCn2ncc(CNC(=O)Cc3ccc(O)c(O)c3)c2C1 2064152142 RZNICGKHTRTYSY-UHFFFAOYSA-N 316.361 0.599 10 10 DCCE CCN(CC(N)=O)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2311447940 SCQZCEXJLUFPHC-UHFFFAOYSA-N 317.389 0.870 10 10 DCCE COCCN(CCF)C(=O)C(=O)N1Cc2cccc(O)c2C1 1119023306 PIFYCNIXRSQVAS-UHFFFAOYSA-N 310.325 0.679 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccn(C)n1 1322899288 SEKYNCRBEZTKNJ-UHFFFAOYSA-N 302.334 0.401 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](N2CCNC2=O)C1 1638258818 YWHGWUQALQZKCU-VIFPVBQESA-N 323.324 0.867 10 10 DCCE C[C@H](O)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1662429527 LPGLUCPXBAAQKS-ZJUUUORDSA-N 307.354 0.938 10 10 DCCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2cnnn2)cn1 1593882170 SSVTXWCDNWNNSE-UHFFFAOYSA-N 312.289 0.399 10 10 DCCE CCOc1cccc(CNCC(=O)N(C)CCC(=O)O)c1O 1857866741 AFTRUWUPXYTDRC-UHFFFAOYSA-N 310.350 0.814 10 10 DCCE OC[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)[C@@H](O)[C@H]1O 2177946814 ASSHPZJAGICICJ-CETXONJKSA-N 322.188 0.891 10 10 DCCE CC(C)(C)OC(=O)N1C[C@@H](COc2nnc(=N)[nH]n2)C(C)(C)C1 2210652570 XNNABHMFLNYMRA-VIFPVBQESA-N 324.385 0.951 10 10 DCCE CC(C)S(=O)(=O)NC1CN(c2ccc(CO)cc2F)C1 2165629268 UQWDQCGNQLTXQQ-UHFFFAOYSA-N 302.371 0.834 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3CN)C2)cc1 852900435 LTVSAWXMIVUWHF-APHBMKBZSA-N 319.405 0.754 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc(S(N)(=O)=O)cc(F)c1C 860309852 GIIQVSLMCHQPED-UHFFFAOYSA-N 317.294 0.096 10 10 DCCE O=C(c1cccc(O)c1O)N1CC(NC(=O)C(F)(F)F)C1 1962355290 IJZVKFBRXBKHPP-UHFFFAOYSA-N 304.224 0.601 10 10 DCCE COC[C@@](O)(CO)CNCc1cc(Br)ccc1O 2040782131 FBOAUQYYBTXUPL-LBPRGKRZSA-N 320.183 0.614 10 10 DCCE CS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2179916730 KDRVALIKLKTCER-NSHDSACASA-N 300.336 0.710 10 10 DCCE CO[C@@H](C)CS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 2283826329 NMWLYLZGIGOMPD-CMPLNLGQSA-N 303.380 0.458 10 10 DCCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCN1CCCCC1 2296927118 RWHYOBLQGUHWLV-UHFFFAOYSA-N 322.434 0.352 10 10 DCCE COC(=O)C1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 40316051 QKMVVQQFTWLLME-UHFFFAOYSA-N 312.391 0.984 10 10 DCCE COc1ccc(N2CCN([C@H]3CCC(=O)NC3=O)CC2)cc1 799106951 IFNAPIKOEXGFBF-AWEZNQCLSA-N 303.362 0.622 10 10 DCCE O=C(CN1CCCCS1(=O)=O)NCc1c(O)cccc1O 1597574882 VCHXQROCSBMVLU-UHFFFAOYSA-N 314.363 0.140 10 10 DCCE CN(C)c1ccc(CNCCNS(=O)(=O)C(F)F)cc1 1964612540 YRSMKFDMUYILGS-UHFFFAOYSA-N 307.366 0.984 10 10 DCCE COc1ccc([C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2177846591 JXOWDNFXVBXVMF-RLCGTCKNSA-N 301.364 0.209 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(F)cc1O 2204650192 FFDUDQSDJYWHGN-WCQYABFASA-N 303.355 0.775 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1 70719006 MUBONWIPAQZNJN-LLVKDONJSA-N 306.366 0.401 10 10 DCCE COC(=O)CCS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1 36336881 WHSHUXUACRKVDD-UHFFFAOYSA-N 314.363 0.210 10 10 DCCE Nc1ccc(OCCC(=O)NC2CCS(=O)(=O)CC2)cc1 40305341 NMUXPYWKIHBSBJ-UHFFFAOYSA-N 312.391 0.731 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)C(C)(C)O)cc1 911894330 ZCZCYUHIFKVXIL-AWEZNQCLSA-N 310.394 0.722 10 10 DCCE COC(=O)COCCNC(=O)NCc1c(O)cccc1F 923429792 ACTICRGPSVCLFS-UHFFFAOYSA-N 300.286 0.520 10 10 DCCE CCOc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1 1328993329 VNXRROBOANDGPB-AWEZNQCLSA-N 319.361 0.842 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CCOC2)cc1C 1278054118 OCIMKQJCMNFDEI-LSDHHAIUSA-N 322.405 0.607 10 10 DCCE COc1ccc(CNCCN(C)C(=O)c2cnn(C)n2)cc1C 1493732972 RLYIMSSIBXNMHE-UHFFFAOYSA-N 317.393 0.994 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)c2n1 2063955494 DHZIBZRFQKOIEB-TVQRCGJNSA-N 315.377 0.956 10 10 DCCE C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(O)c(O)c(O)c1 2188924646 RTJNOOXUGYFFDR-SSDOTTSWSA-N 303.336 0.356 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Cl 2234097033 MSGUFWYEKVCTLP-QCZZGDTMSA-N 301.770 0.688 10 10 DCCE N=C(NO)c1cnc(Sc2nnnn2CC(F)F)s1 2278776873 RZAMWDBQSLGPIP-UHFFFAOYSA-N 307.311 0.850 10 10 DCCE CSc1ncc(CNC(=O)N[C@H]2CCO[C@H]2C(=O)O)s1 2284544139 MIDLIJMXUCGQCB-JGVFFNPUSA-N 317.392 0.906 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 808543234 CJZQUELDFURZJS-ZDUSSCGKSA-N 318.329 0.635 10 10 DCCE COC(=O)C1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CC1 867690560 IQEJANBYLOQTKD-UHFFFAOYSA-N 311.359 0.991 10 10 DCCE CS(=O)(=O)C[C@H](O)CNCc1ccc(N2CCCC2)cc1 1119615430 WKYIZWACCXYSMA-OAHLLOKOSA-N 312.435 0.782 10 10 DCCE 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O=C(C(=O)N1CCO[C@H](CCF)C1)N1Cc2cccc(O)c2C1 1119022652 CPAUNALHFBHNFX-GFCCVEGCSA-N 322.336 0.821 10 10 DCCE COC[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329361940 UOUSELRCSITIEK-NSHDSACASA-N 304.346 0.729 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912161970 PRLUWGCHRDGHSN-QWRGUYRKSA-N 303.388 0.710 10 10 DCCE CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc(O)c(O)c1 227033504 MXUGZZWZXZAPLI-NSHDSACASA-N 317.388 0.658 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H]4OCC[C@@H]4C3)c2n1 2062513464 XBBGQMKKFWZAFX-PWSUYJOCSA-N 302.334 0.994 10 10 DCCE COCCNCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 62736108 JTCUAKGKEOWDSV-UHFFFAOYSA-N 316.398 0.797 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](OC)C(=O)O)cc1 902017224 TWIYVCLCYDEYGB-CYBMUJFWSA-N 310.350 0.689 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2CNC[C@@H]2C1 916739681 GOSPLHZECKSQQU-HZPDHXFCSA-N 316.449 0.862 10 10 DCCE NC(=O)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 757509713 YGMATYJWHSCROY-ZETCQYMHSA-N 306.278 0.237 10 10 DCCE CN(Cc1ccccc1O)C(=O)NCCC1CS(=O)(=O)C1 1116722870 RWXINOYLTJIXCI-UHFFFAOYSA-N 312.391 0.968 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1CCN 1339208030 WODFAWDCRRRXMW-CHWSQXEVSA-N 319.405 0.794 10 10 DCCE C/C(=C/C(=O)NCc1cccc(O)c1O)CN1CCOCC1 1263895597 AKNGQBSHEKMJAL-XFXZXTDPSA-N 306.362 0.993 10 10 DCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCS(=O)(=O)C1 1296391717 ACLOAIGUMFJNAP-SNVBAGLBSA-N 313.375 0.533 10 10 DCCE C[C@H](NC(=O)Cn1ncn2nccc2c1=O)c1ccccc1O 1454819246 PTZVLXGGBDJODK-JTQLQIEISA-N 313.317 0.474 10 10 DCCE O=C(NCc1c(O)cccc1O)C1C[C@H]2COC[C@@H](C1)C2=O 1558533833 LDGBXSOEWYMUMZ-FGWVZKOKSA-N 305.330 0.956 10 10 DCCE CCS(=O)(=O)N(C)CCNC(=O)c1cccc(O)c1O 1926344624 LTLQTKVSQBYCDI-UHFFFAOYSA-N 302.352 0.109 10 10 DCCE C[C@@H](F)CS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2177554046 MZDGAMBFNCYJRW-SECBINFHSA-N 303.359 0.244 10 10 DCCE CC(C)S(=O)(=O)CCNC(=O)c1cc(O)c(O)c(O)c1 2188867800 GYBYWWMYFMPHPQ-UHFFFAOYSA-N 303.336 0.356 10 10 DCCE CSc1ncc(CNC(=O)NC[C@@H](O)CC(=O)O)s1 2269126072 XFHRYVMAYHVVBF-LURJTMIESA-N 305.381 0.500 10 10 DCCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1nn[nH][nH]1 2297321532 YUTHPEZRLPCWGF-UHFFFAOYSA-N 303.713 0.994 10 10 DCCE COc1ccc(CNCCCS(=O)(=O)N(C)C)c(O)c1 2367622290 RZILEKJKDPFWSI-UHFFFAOYSA-N 302.396 0.772 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CCOC[C@@H](O)C2)cc1 295535547 JHGUZGNDHCEKRR-HNNXBMFYSA-N 307.394 0.062 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1 819590129 ITXXLRYUKNCXLK-RISCZKNCSA-N 319.361 0.746 10 10 DCCE COC(=O)[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 930154345 CLYAOJLNBASWLM-KRWDZBQOSA-N 320.389 0.945 10 10 DCCE C[C@@H](NS(=O)(=O)C[C@H]1CN(C)CCO1)c1ccccc1O 867835108 TUNMZIQZYKYCGI-VXGBXAGGSA-N 314.407 0.703 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1140198661 NDYXVTFNIUPCTE-MNOVXSKESA-N 313.350 0.527 10 10 DCCE O=C(c1cccc(O)c1O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1468069816 DPFLVCXYCCSOKK-PWSUYJOCSA-N 311.359 0.890 10 10 DCCE CS(=O)(=O)Cc1noc(CN2CCC[C@@H]2CN=[N+]=[N-])n1 2179616272 NGPUUCMTXHQWEI-MRVPVSSYSA-N 300.344 0.889 10 10 DCCE O=S(=O)(CC1(CO)CC1)NCCc1ccc(O)c(O)c1 2290083380 NFCKSSSFCFAZJJ-UHFFFAOYSA-N 301.364 0.332 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1 62634812 IYSBEWKBCSNSCL-ZDUSSCGKSA-N 305.334 0.452 10 10 DCCE CC(=O)C(=O)COC(=O)C(=O)N1CCN(c2ccccc2)CC1 812687836 HGAHYEZDTISEQG-UHFFFAOYSA-N 318.329 0.037 10 10 DCCE Cc1ccc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c1O 841453119 BVBVZDCDNBFIQE-NEPJUHHUSA-N 308.378 0.933 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1 855225388 KYQHRDPVNUZNKD-NSHDSACASA-N 301.350 0.832 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NCC2(NCCO)CC2)cc1 1323623624 CVQLXTLZWXZDAW-UHFFFAOYSA-N 305.338 0.693 10 10 DCCE CNC(=O)NCC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1715932837 OAFYOHQYPQKLTB-GFCCVEGCSA-N 322.409 0.527 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(Cl)cc1O 1621432926 DMINPPPHOZRURI-JQWIXIFHSA-N 305.783 0.947 10 10 DCCE O=C(NCc1cccc(O)c1O)[C@@H]1CCc2nnc(O)n2C1 1644710885 MZSDMHGMBQDGMB-SECBINFHSA-N 304.306 0.274 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CC[C@@H](O)C2)CC1 1645897517 PYZPORLEOFPBPC-CQSZACIVSA-N 320.389 0.698 10 10 DCCE O=C1NC2(CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)CO1 1597260682 USVHQTFVCBQBHP-UHFFFAOYSA-N 306.318 0.741 10 10 DCCE C[C@@H](Oc1ccc(N)cc1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1860082948 YUHOSHYAQFMRLM-LDYMZIIASA-N 310.306 0.470 10 10 DCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@@H](C)N)cc1Cl 2234064468 GJGVPEBEZQLXDS-HKSFMPNISA-N 300.786 0.917 10 10 DCCE O=C(NCCS(=O)(=O)C1CC1)c1cc(O)c(O)c(O)c1 2290120748 NYIRRNBXTHIJMN-UHFFFAOYSA-N 301.320 0.110 10 10 DCCE NC(=S)CN1CCC(NC(=O)c2cccc(O)c2O)CC1 126157663 BTOSSJJPFOLTTN-UHFFFAOYSA-N 309.391 0.578 10 10 DCCE NS(=O)(=O)C1(CNCc2ccc(O)c(O)c2O)CCC1 721575312 FHIPRZQXIRRPEF-UHFFFAOYSA-N 302.352 0.104 10 10 DCCE C[S@@](=O)C1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2115312619 ZMUULZKHGAXRAA-NSPYISDASA-N 300.767 0.893 10 10 DCCE CNCC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1335714507 NYKSXGMQMYGILT-UHFFFAOYSA-N 317.389 0.692 10 10 DCCE Nc1ccc(N2C(=O)[C@H]3CS(=O)(=O)C[C@H]3C2=O)c(Cl)c1 1924770937 DWPLHAUHLGZPNZ-OCAPTIKFSA-N 314.750 0.456 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](CNCCO)C2)cc1 1662733349 NGABAGOZPGTRSP-LLVKDONJSA-N 319.365 0.893 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)cccc1O 1597574199 JZRWZINYSWSXLN-LBPRGKRZSA-N 316.379 0.288 10 10 DCCE CNS(=O)(=O)CCN(C)c1cc2c(cc1N)OCCO2 2151034709 SLBHQFUQDLCUNO-UHFFFAOYSA-N 301.368 0.025 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](O)C(C)(C)C3)c2n1 2064715112 BCMXJEGLEVHPLY-LLVKDONJSA-N 304.350 0.976 10 10 DCCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046515075 SYJMZZKWRDPSJY-QTKMDUPCSA-N 318.167 0.099 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CC[C@H]2O)cc1 2205464527 PNVIOSWXZVKOLB-ZWNOBZJWSA-N 300.380 0.338 10 10 DCCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCN1C 70490892 BCHGDBINTQUDBY-GFCCVEGCSA-N 313.423 0.613 10 10 DCCE CCCS(=O)(=O)NC1CN(c2ccc(CN)c(F)c2)C1 2165631063 SUKCEJDGGIAJHI-UHFFFAOYSA-N 301.387 0.802 10 10 DCCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccnn1C 1163047701 VABGLRCVALKOFO-CQSZACIVSA-N 319.317 0.404 10 10 DCCE O=C(C(=O)N1CC[C@]12CCOC2)N1Cc2cccc(O)c2C1 1261866816 OFYVRHKDIJINHF-MRXNPFEDSA-N 302.330 0.626 10 10 DCCE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1297776570 ZSDZZHFEOWOEGJ-FZMZJTMJSA-N 311.378 0.915 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCc2nnc(O)cc2C1 1639035350 OVWZUINNUHQHDE-UHFFFAOYSA-N 301.302 0.721 10 10 DCCE Cc1ccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c(O)c1O 1645969146 YSEKBMFTYADRFM-NSHDSACASA-N 318.333 0.539 10 10 DCCE Nc1ccc(CS(=O)(=O)N=[S@]2(=O)CC[C@H](N)C2)cc1 1876165127 KEGVFOIIBGRGGT-VOJFVSQTSA-N 303.409 0.298 10 10 DCCE CCN1CCC[C@@H]1CNC(=O)c1cnn2c(O)cc(C)nc12 2062996310 UAJKEPDIIUYTIN-LLVKDONJSA-N 303.366 0.957 10 10 DCCE C[S@](=O)(CC1CNC1)=NC(=O)c1cc(O)c(O)c(O)c1 2188920096 SEFLJVCWOOWLGN-FQEVSTJZSA-N 300.336 0.261 10 10 DCCE Cc1ccc(CNC(=O)[C@H](N)[C@@H](C)O)c(O)c1Br 2327594956 CONJABBTYVJTKC-GMSGAONNSA-N 317.183 0.787 10 10 DCCE CC(C)CS(=O)(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 80188080 BOGQTLJBIXUDBO-JTQLQIEISA-N 317.363 0.669 10 10 DCCE CN(C)c1ccc([C@H](N)CNS(=O)(=O)N(C)C2CC2)cc1 842783702 BMCJEIUEPJDGIH-CQSZACIVSA-N 312.439 0.681 10 10 DCCE NCCN(CCO)C(=O)NCc1ccc(N2CCCC2)cc1 841709465 GSFXEVCHMNZVCM-UHFFFAOYSA-N 306.410 0.749 10 10 DCCE O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(CO)C1 790240867 LHWYZZYXYGDCRQ-UHFFFAOYSA-N 305.378 0.657 10 10 DCCE C/C=C\[C@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138054980 LSEKCZUKWDGRHX-WPZDTJMNSA-N 323.345 0.625 10 10 DCCE O=C(C(=O)N1CCC2(C1)OCCO2)N1Cc2cccc(O)c2C1 1329353605 UIKJFAXXVSHOEH-UHFFFAOYSA-N 318.329 0.210 10 10 DCCE C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccccc1O 1635799235 VFGCKAMXEKYEMM-VIFPVBQESA-N 321.358 0.926 10 10 DCCE C[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CS1(=O)=O 1583837854 ORRHRDGOTWHICX-KOLCDFICSA-N 313.375 0.722 10 10 DCCE CC(C)CS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1593873759 ZRYXRYWPTSGYIJ-UHFFFAOYSA-N 301.364 0.785 10 10 DCCE CCN(CC)c1ccc(CNCCNS(N)(=O)=O)cc1 1964621046 RVIFNOYNKAQKQE-UHFFFAOYSA-N 300.428 0.416 10 10 DCCE NCc1cc(F)c(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2177381403 MSAXIOULSFGGJP-CHWSQXEVSA-N 304.749 0.496 10 10 DCCE CSc1ncc(CNC(=O)NCC[C@@H](O)C(=O)O)s1 2269091991 CJIOFSAPQRBWGR-SSDOTTSWSA-N 305.381 0.500 10 10 DCCE CSc1ncc(CNC(=O)N[C@H](CN(C)C)C(=O)O)s1 2284503566 DNAXUQDHXAAWKW-MRVPVSSYSA-N 318.424 0.679 10 10 DCCE CSc1ncc(CNC(=O)NC2CN(CC(=O)O)C2)s1 2284544777 SPMCMTCJCJUAFM-UHFFFAOYSA-N 316.408 0.433 10 10 DCCE CCOC(=O)C(=[N+]=N)C(=O)CN1C(=O)c2ccccc2C1=O 96024102 SRGIYTFJNZQBRP-UHFFFAOYSA-N 302.266 0.095 10 10 DCCE CCOc1ccc(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)c1 93531408 YHERTQZBVOBDJJ-LBPRGKRZSA-N 314.407 0.914 10 10 DCCE COCC1(O)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 294972702 LDERUDALZFZGAV-GQCTYLIASA-N 322.317 0.979 10 10 DCCE C[S@@](=O)(=NC(=O)c1cccc(O)c1O)N1CCOCC1 2167403927 PPBJTBXOAXLGRR-HXUWFJFHSA-N 300.336 0.583 10 10 DCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](OC)C(=O)O)C2)cc1 901681584 KGXZKLWDCWNTJV-FZMZJTMJSA-N 322.361 0.737 10 10 DCCE CC(=O)N1CCN(Cc2cn(-c3ccc(N)cc3)nn2)CC1 887407857 VKPDODAQWSWWQE-UHFFFAOYSA-N 300.366 0.514 10 10 DCCE COC[C@@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 70490708 DCGIGXGUBQDGFG-LLVKDONJSA-N 302.396 0.944 10 10 DCCE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccc(N)cc1 2115320710 FWIWQTZGKFDVPL-YPMLDQLKSA-N 302.421 0.551 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CCCCN2C1=O 1625882699 PGVATAQQNJLNFR-VXGBXAGGSA-N 304.346 0.910 10 10 DCCE COc1ccc(N2CCN(C(=O)C3(O)COC3)CC2)c(OC)c1 1634886813 TVKJESJTMFJJGG-UHFFFAOYSA-N 322.361 0.114 10 10 DCCE COCC(=O)N[C@H]1CCCN(CCOc2ccc(N)cc2)C1 586062626 IRRCFMCTQGSDEV-AWEZNQCLSA-N 307.394 0.875 10 10 DCCE CC(=O)N1CCN(C(=O)CNCc2ccc(N(C)C)cc2)CC1 1857865653 XQOVYQDDXSKDBB-UHFFFAOYSA-N 318.421 0.533 10 10 DCCE CN(CCN(C)S(C)(=O)=O)c1c(F)cc(CO)cc1F 2146926633 MJQDKFZCMMNKKM-UHFFFAOYSA-N 308.350 0.785 10 10 DCCE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CC[S@@]1=O 2170976968 FYJAZVAVCLEOJU-IBGZPJMESA-N 316.448 0.942 10 10 DCCE Nc1ccc(OC[C@@H](O)CN2CCC3(CC2)OCCO3)cc1 381400482 OKYDFXUXZWVQLS-AWEZNQCLSA-N 308.378 0.847 10 10 DCCE Nc1ccc(CNS(=O)(=O)CCC(F)(F)C(=O)O)cc1 2178766720 ZTQJYIFMRZDSSI-UHFFFAOYSA-N 308.306 0.798 10 10 DCCE CSc1ncc(CNCC2(S(C)(=O)=O)CNC2)s1 2326767839 MSNUIZXBLSQJRN-UHFFFAOYSA-N 307.466 0.341 10 10 DCCE C[C@H]1CN([C@H](Cc2ccc(O)c(O)c2)C(=O)O)S(=O)(=O)C1 251942990 ZTBKDCNTQIYOCY-WCBMZHEXSA-N 315.347 0.375 10 10 DCCE COCCCS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438224 DUTNVCRAROQDEV-GFCCVEGCSA-N 303.380 0.460 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@]1(O)CCCN(C)C1 907274976 SVPWRAHEFMZJOO-PXAZEXFGSA-N 322.405 0.992 10 10 DCCE O=C(C(=O)N1C[C@@H]2CC[C@H](C1)N2)N1Cc2cccc(O)c2C1 1329503599 CIZCSYUMORKLFB-TXEJJXNPSA-N 301.346 0.197 10 10 DCCE CC[C@H]1COCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1331947664 OYPNSRNTGKZLCQ-LBPRGKRZSA-N 304.346 0.872 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CCCS(=O)(=O)CC1 1648545004 VJRFNSSPCCHZCC-UHFFFAOYSA-N 303.311 0.498 10 10 DCCE CC[C@@H](CO)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1596656840 VHEPTIYXJLENSH-ZDUSSCGKSA-N 308.378 0.555 10 10 DCCE CN(C[C@@H]1COCCO1)S(=O)(=O)Cc1ccc(N)cc1 2143680968 ASIMCSVYMVSGAT-CYBMUJFWSA-N 300.380 0.446 10 10 DCCE CO[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CCOC1 159905168 FHSOZBHCQKQUTC-ZDUSSCGKSA-N 300.380 0.494 10 10 DCCE CO[C@@H]1CNC[C@H]1S(=O)(=O)N(C)Cc1ccccc1O 722274792 IJEWJRLBEBERHA-CHWSQXEVSA-N 300.380 0.141 10 10 DCCE CN([C@@H](CN)C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 2191761902 WUODCTZBDHGSLF-JTQLQIEISA-N 311.329 0.920 10 10 DCCE [N-]=[N+]=NC1CCN(S(=O)(=O)C2CC3(C2)OCCO3)CC1 2252848047 QAIDHEBUDKEMCS-UHFFFAOYSA-N 302.356 0.996 10 10 DCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)C[C@@H](N)C(=O)O 2286034586 KTLLYHJRDPZCLC-WCBMZHEXSA-N 302.352 0.127 10 10 DCCE CN(C(=O)Nc1cc(O)c(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 217278844 WBKKPGLYYJCPQQ-QMMMGPOBSA-N 316.335 0.454 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CCn4cnnc4C3)c(Cl)cc21 92752435 CQJNODJPKACCDT-LBPRGKRZSA-N 304.741 0.904 10 10 DCCE Cc1cc(N(C)C)ccc1CN(C)CC(=O)N1CCNCC1 843045368 VTLIDEOMWUQTSP-UHFFFAOYSA-N 304.438 0.925 10 10 DCCE CC(C)(CNC(=O)c1cccc(O)c1O)CS(C)(=O)=O 723861084 SGECDCBWKRBDRK-UHFFFAOYSA-N 301.364 0.898 10 10 DCCE COc1ccc([C@H](C)NCC2(S(N)(=O)=O)CC2)c(O)c1 713998753 AOTSTXLUVPSBSX-VIFPVBQESA-N 300.380 0.873 10 10 DCCE CC1=C(C(=O)NCc2ccc(O)c(O)c2)S(=O)(=O)CCO1 1294869217 FBFGQXVGDFFIGU-UHFFFAOYSA-N 313.331 0.391 10 10 DCCE C[C@]12CN(C(=O)c3cccc(O)c3O)C[C@]1(C)C(=O)NC2=O 1454635146 KHXJTUDRKUNLNY-HUUCEWRRSA-N 304.302 0.223 10 10 DCCE CC(=O)C(=O)[C@@H](O)[C@]1(C)COCCN1C(=O)OC(C)(C)C 1900512910 VOLPMODMLHEGDL-RISCZKNCSA-N 301.339 0.531 10 10 DCCE CCOC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)COC1 1179689032 ADGMJOQCUSZFEI-GQCTYLIASA-N 321.329 0.949 10 10 DCCE C[C@@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1O 702988266 NKMHEFQUIFYBGT-NXEZZACHSA-N 300.380 0.573 10 10 DCCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CN)cc2F)C1 702983360 CVSHDTJFGOELED-LLVKDONJSA-N 301.387 0.802 10 10 DCCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H]1O 387748815 ZTCYLONXKZEKQO-MFKMUULPSA-N 300.380 0.290 10 10 DCCE O=C(O)[C@@H](NCc1cc(Cl)ccc1O)C1CS(=O)(=O)C1 2197526577 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320.320 0.760 10 10 DCCE CN(C)c1ccc(CNC(=O)Cn2ncc([N+](=O)[O-])n2)cc1 863375075 YLIXWDVGDWDKMC-UHFFFAOYSA-N 304.310 0.569 10 10 DCCE O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1ccc([N+](=O)[O-])cn1 762193567 OYKBHSVUGXJUGI-UHFFFAOYSA-N 316.302 0.986 10 10 DCCE Cc1ccc(C(=O)NCCc2nnc3n2CCC3)c(O)c1O 780897155 NDBXIEVFKGTHEL-UHFFFAOYSA-N 302.334 0.916 10 10 DCCE O=C1NC(C(=O)O)=C[C@H](c2ccc(N3CCC(O)CC3)cc2)N1 76257179 SFLAHPNUCKRGJI-CYBMUJFWSA-N 317.345 0.970 10 10 DCCE CC(=O)c1cn(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)nn1 1606663142 KVVUUJOAFCCVIU-UHFFFAOYSA-N 316.317 0.897 10 10 DCCE C[C@@H](CNC[C@@H](C)O)NC(=O)c1ccc(N=NC(N)=O)cc1 1498204081 TYNHGCVFXCHUSJ-VHSXEESVSA-N 307.354 0.938 10 10 DCCE COCCNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1667939464 LCNXGBQZGJDVAY-LBPRGKRZSA-N 323.353 0.176 10 10 DCCE CN1C[C@H](O)[C@H](NCc2cccc(Br)c2O)C1 1942694673 BZPNCSYLGDTXHS-MNOVXSKESA-N 301.184 0.919 10 10 DCCE CN(c1cc2c(cc1Cl)[C@@H](N)C(=O)N2)C1CS(=O)(=O)C1 2152240789 UQFXMHPIHCONMS-LLVKDONJSA-N 315.782 0.525 10 10 DCCE 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319.405 0.811 10 10 DCCE COc1ccc(O)c(CNC(=O)NCC[C@@]2(O)CCOC2)c1 844973598 KXYZQRWLHUJXOW-OAHLLOKOSA-N 310.350 0.742 10 10 DCCE COCc1nc(C(=O)NCc2cccc(OC)c2O)n(C)n1 853802503 YJBBLNSSGKFKFO-UHFFFAOYSA-N 306.322 0.606 10 10 DCCE O=C(C(=O)N1CCC[C@H]1CCO)N1Cc2cccc(O)c2C1 1119019010 IHLXJRSXNUNWKS-LBPRGKRZSA-N 304.346 0.608 10 10 DCCE O=C(NCCS(=O)(=O)C(F)(F)F)c1cccc(O)c1O 1453239091 CMKBCXOEDPKPQW-UHFFFAOYSA-N 313.253 0.762 10 10 DCCE CCN1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 897361200 BGHOQICYFFTXHJ-HNNXBMFYSA-N 318.421 0.579 10 10 DCCE CC(=O)Nc1nnc(S(=O)(=O)NCCCN=[N+]=[N-])s1 228658647 FGLYKEWULRFRCI-UHFFFAOYSA-N 305.345 0.475 10 10 DCCE COC[C@@H](NCc1cccc(Br)c1O)C(N)=O 1947025245 RNVOGBIPUXFAGY-SECBINFHSA-N 303.156 0.745 10 10 DCCE CC(=O)C(=O)[C@@H](O)c1cc(I)nn1C 1886719267 DLWYCELUTNOIRJ-QMMMGPOBSA-N 308.075 0.216 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N=c3cc4n([nH]3)CCCC4)c2n1 2064361672 OZMGLYQPKVTQSZ-UHFFFAOYSA-N 312.333 0.950 10 10 DCCE CSc1ncc(CN[C@@H]2CCN(S(C)(=O)=O)C2)s1 2208556076 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CNCc1ccc(N2CC(=O)NC(=O)C2)c(Br)c1 234422699 RVVFZONAVKQEMB-UHFFFAOYSA-N 312.167 0.631 10 10 DCCE CNC(=O)NC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 529644068 RFRJAMKUDJMQPE-LLVKDONJSA-N 323.349 0.251 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)N)cc2F)C1 2165573624 XOBROXBHUITQBD-VIFPVBQESA-N 301.387 0.973 10 10 DCCE CN(C)c1ccc(CNS(=O)(=O)c2nnc(N)s2)cc1 722231415 HJHVXEZTAFGADS-UHFFFAOYSA-N 313.408 0.665 10 10 DCCE O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(O)cs1 747522637 OSFMFFBEPXKOQA-LLVKDONJSA-N 310.375 0.963 10 10 DCCE Cc1ccc([C@@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c(O)c1 858569832 OALSRBCBOOMYSC-LLVKDONJSA-N 313.423 0.842 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN2CCCN1CC2 854352875 MBBPXMGYNKBDPT-KQIUPUNMSA-N 317.389 0.617 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)cc1 869228603 LJZXSYKPBWOYNU-DOMZBBRYSA-N 317.389 0.916 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2ncccn2)c1 791348537 RAYVUMYYIQNSFN-UHFFFAOYSA-N 323.330 0.911 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)cc1C 1268681488 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QFMUOGKAUZHKOM-ZIAGYGMSSA-N 315.373 0.587 10 10 DCCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912174867 FQKDIKOIXBTAGM-NXEZZACHSA-N 303.388 0.863 10 10 DCCE C[C@@H](NC(=O)NCCNC(=O)c1cc[nH]n1)c1ccccc1O 1633569931 HFKZEWYCGTUSHK-SNVBAGLBSA-N 317.349 0.906 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCCO)cc1 2143465650 LGWDZTKTXQZPEW-UHFFFAOYSA-N 322.408 0.572 10 10 DCCE CCOC(=O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490676 SMOOGFCZRDOYHR-UHFFFAOYSA-N 302.352 0.130 10 10 DCCE CNS(=O)(=O)C1CN(c2cc(OC)c(OC)cc2N)C1 2187302840 YGBPFDBORJZOOZ-UHFFFAOYSA-N 301.368 0.024 10 10 DCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@@H](C)N)c(Cl)c1 2234071772 WOLXTDGPDLUVEQ-ULTHFGNCSA-N 300.786 0.917 10 10 DCCE O=C1NC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)N1 89787763 TVIPNTUXILLHAB-CYBMUJFWSA-N 320.418 0.537 10 10 DCCE COc1ccc(N2CCN(C(=O)CNCCN(C)C)CC2)cc1 243082666 IRRARIGHJARZDS-UHFFFAOYSA-N 320.437 0.495 10 10 DCCE COC(=O)CCN1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1 279861327 PZZRITZPZTYEAJ-LLVKDONJSA-N 322.361 0.807 10 10 DCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3COC(=O)N3)C2)cc1 819590128 ITXXLRYUKNCXLK-FZMZJTMJSA-N 319.361 0.746 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](C(=O)O)C1 817896679 OSYQOZXECMOMPT-GFCCVEGCSA-N 320.345 0.674 10 10 DCCE CO[C@@H](C)CS(=O)(=O)NNc1nc2cccnc2s1 857225052 FAUDSSSZUKBOPN-ZETCQYMHSA-N 302.381 0.973 10 10 DCCE O=C1C[C@H](CCN2C(=O)CN(Cc3ccccc3O)C2=O)CN1 1119623826 FTUKPUUEWCWNMH-NSHDSACASA-N 317.345 0.683 10 10 DCCE CC1=C(C(=O)N2Cc3cccc(O)c3C2)Cn2nnnc2N1C 871204728 ITZVMXBGGIEVHT-UHFFFAOYSA-N 312.333 0.645 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4C[C@@]4(CO)C3)cc2N1 782404380 BQAUPJYABVIFPG-RTHLEPHNSA-N 305.290 0.744 10 10 DCCE C[C@H](N)[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1335711319 FJXJNUFZOINIQG-SMDDNHRTSA-N 317.389 0.963 10 10 DCCE [N-]=[N+]=NC1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1912193511 OSOUDRDFWUBWFK-SNVBAGLBSA-N 301.306 0.638 10 10 DCCE CS(=O)(=O)C[C@H]1CN(Cc2cc(F)ccc2O)CCO1 897596098 RYZUAYQVUKANDS-GFCCVEGCSA-N 303.355 0.777 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3C[C@@H](N(C)C)C3)c2n1 2063711144 MXTYOAOPXKVZCS-PHIMTYICSA-N 303.366 0.813 10 10 DCCE O=C(O)[C@H](NCc1cc(Cl)ccc1O)C1CS(=O)(=O)C1 2197526476 SXLAOQWYIRXQCJ-LLVKDONJSA-N 319.766 0.633 10 10 DCCE COC[C@@]1(CNCc2cnc(SC)s2)CNCCO1 2269313867 RNPGLPGIFOPIHW-LBPRGKRZSA-N 303.453 0.960 10 10 DCCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(OC)c1O 2295934309 ZXIZRWAJYONXPD-UHFFFAOYSA-N 306.274 0.501 10 10 DCCE CCS(=O)(=O)N1CCN(Cc2ccc(OC)cc2O)CC1 127274852 MIQVKTRCGKIDHP-UHFFFAOYSA-N 314.407 0.868 10 10 DCCE COC[C@H](O)CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 97600583 AQXXSRGSYRCLQK-MRXNPFEDSA-N 323.437 0.650 10 10 DCCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 268107638 HGDKCFIRJLQUMT-ZETCQYMHSA-N 317.319 0.641 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)COC1(C)CNC1 649347599 HNPQSWDGBXBPRG-UHFFFAOYSA-N 305.378 0.857 10 10 DCCE COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C 829764621 QJRZPCZNSGRMDO-CQSZACIVSA-N 307.394 0.958 10 10 DCCE CN1CCN(C)CC(C(=O)NCCc2ccc(O)c(O)c2)C1 907056937 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301.302 0.539 10 10 DCCE COc1cccc(O)c1CNCCNS(=O)(=O)C(F)F 1964611766 LCECDRXBAIZYJN-UHFFFAOYSA-N 310.322 0.632 10 10 DCCE NCc1ccc(N2CC3(CNC(=O)N3)C2)c(Br)c1 2057566242 YEFONBHGBCHNCO-UHFFFAOYSA-N 311.183 0.779 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1cc(Cl)ccc1O 2142467439 RQXVUVUYLOZOJN-JQWIXIFHSA-N 305.783 0.947 10 10 DCCE O=S(=O)(NCCCNCc1ccc(O)c(O)c1)C1CC1 2158567417 ONSGJQMPVVJTST-UHFFFAOYSA-N 300.380 0.659 10 10 DCCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 2162677032 SCKMLVDXQATRKP-VXGBXAGGSA-N 300.355 0.410 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)NC2CCS(=O)(=O)CC2)C1 2197934084 VKZYXBWMBQCQFZ-VIFPVBQESA-N 301.372 0.905 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Br 2311999170 PSRJGXFBPNTUTR-TUAOUCFPSA-N 319.174 0.788 10 10 DCCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1c(O)cccc1Cl 2357919536 LASKFGVHUNKDRE-IJLUTSLNSA-N 301.726 0.426 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)cc1 854199076 VSQSVUWEQCKEMM-CQSZACIVSA-N 318.377 0.367 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cc1 855224363 FSRQQZALBVNAFR-GLQYFDAESA-N 317.389 0.902 10 10 DCCE CNC(=O)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 772423725 PKFGGSHQYSPKDM-GFCCVEGCSA-N 305.378 0.837 10 10 DCCE CN(C[C@H]1CCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1119006611 MBLNIGKNAQCWME-GFCCVEGCSA-N 304.346 0.872 10 10 DCCE CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCNC1 1118976149 OYGDQWDSRRISMG-CYBMUJFWSA-N 317.389 0.835 10 10 DCCE C[C@H](NC(=O)N1C[C@@H](O)[C@@H](CO)C1)c1ccc(N(C)C)cc1 1312530742 GMSATEWCPQQTMY-NJZAAPMLSA-N 307.394 0.808 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)cc1C 1320285599 CXLRBEXRTLICGV-LBPRGKRZSA-N 319.365 0.002 10 10 DCCE CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1331938703 TXKFFMMUYHQNQV-GFCCVEGCSA-N 304.346 0.872 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c(O)ncnc1O 1611431529 PJZQGVQJTQLUHP-QMMMGPOBSA-N 319.317 0.589 10 10 DCCE COc1ccc(CN[C@@H](CNC(=O)CC(N)=O)C2CC2)cc1C 1713860424 FXGKVHVZEXAVEZ-AWEZNQCLSA-N 319.405 0.863 10 10 DCCE O=C(CCC(=O)N1CCC(O)CC1)NCc1ccccc1O 1595793494 WNHCNZWYKNJIQD-UHFFFAOYSA-N 306.362 0.772 10 10 DCCE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)Cc1ccc(O)c(O)c1 1595348702 WCXVSRBQHXAJJF-NEPJUHHUSA-N 323.345 0.867 10 10 DCCE CCCN1CCC(NC=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 28975961 CVBFQILYAHOLMX-UHFFFAOYSA-N 308.382 0.385 10 10 DCCE CC[C@](C)(CO)NS(=O)(=O)CCOc1ccc(N)cc1 80885791 PURTZQDIAMFKHM-CYBMUJFWSA-N 302.396 0.728 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(c2c(F)cc(CO)cc2F)C1 702988850 RJOGRRSBDYPVBD-SECBINFHSA-N 306.334 0.585 10 10 DCCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCCNCC1 2089617267 PKRSSPCMRZQPQU-UHFFFAOYSA-N 305.787 0.998 10 10 DCCE CC(=O)NC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 2297534452 IQUBPUJWFPDUMW-UHFFFAOYSA-N 301.302 0.906 10 10 DCCE NC(=O)CN(C1CCCC1)S(=O)(=O)Cc1ccc(N)cc1 40329591 PRDAPTHYOWIXQP-UHFFFAOYSA-N 311.407 0.829 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CCC(N2CC[C@@H](O)C2)CC1 857334644 HRQTXHUFHSVYTQ-LLVKDONJSA-N 324.352 0.908 10 10 DCCE CCNCCN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1 1279919372 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0.557 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(OCCO)CCOC1 855409811 VWEDNMYSYSSPEE-WPTTZPOMSA-N 323.345 0.395 10 10 DCCE COC(=O)[C@@H](C)CS(=O)(=O)NCc1c(O)cccc1F 921452528 RTXJMAKHDJCKSL-QMMMGPOBSA-N 305.327 0.760 10 10 DCCE NC(=O)C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 861639732 FSWCLCHBZGBYSO-ZDUSSCGKSA-N 306.366 0.097 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCOC3=O)C2)cc1 1123567857 YENDDLFLRJFSMB-RISCZKNCSA-N 319.361 0.889 10 10 DCCE COc1cccc(CNC(=O)C2CN([C@@H]3CCOC3)C2)c1O 896118527 YILJYICRDWPVMQ-CYBMUJFWSA-N 306.362 0.738 10 10 DCCE COC[C@@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)OC 691362659 BXDOMKFDQNYCPE-CYBMUJFWSA-N 302.396 0.692 10 10 DCCE O=C(CN1C(=O)CNC1=O)NCc1ccc2cccnc2c1O 1162607160 JMAAWEZBMSDALD-UHFFFAOYSA-N 314.301 0.108 10 10 DCCE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1557686213 ICKAJBAUFYCTRP-GFCCVEGCSA-N 321.377 0.855 10 10 DCCE NC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1584573739 DKGXXBWOINEJSU-NSHDSACASA-N 307.350 0.690 10 10 DCCE C[C@@H](NC[C@H]1CCS(=O)(=O)N1C)c1c(O)cccc1O 2145348528 IQCZJRGRFHTBKE-NXEZZACHSA-N 300.380 0.782 10 10 DCCE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1cccc(O)c1O 2160758377 LFCDOSMXARONSM-SECBINFHSA-N 301.364 0.993 10 10 DCCE COCCNCc1ccc(N(C)C(CO)CO)c(Cl)c1 313314816 IXDHXSWARQMTCL-UHFFFAOYSA-N 302.802 0.865 10 10 DCCE COCCN1CC[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1 2062900074 HGMWYKWPOTYGKT-LLVKDONJSA-N 319.365 0.194 10 10 DCCE CSc1ncc(CNC(=O)[C@H]2COC[C@@H]2C(=O)O)s1 2338427389 KKPGZNPKJYPQQT-YUMQZZPRSA-N 302.377 0.828 10 10 DCCE CC[S@](=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 131895544 FBYUWTXIEXKJPB-OAQYLSRUSA-N 306.391 0.953 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ncccn2)CC1 243339180 LRVXZSYJIRXHFF-UHFFFAOYSA-N 314.345 0.779 10 10 DCCE COc1cc2c(cc1Cl)N(C)C[C@@]2(O)CN1CCNCC1 527414778 PCCQRKNKMWGQGX-OAHLLOKOSA-N 311.813 0.891 10 10 DCCE C[C@H]1CN(c2ccc(CNC(=O)CC(N)=O)cc2F)C[C@@H](C)O1 265755853 BALKTSFTBWQHIL-PHIMTYICSA-N 323.368 0.931 10 10 DCCE CCOC(=O)[C@@H](NCCN=[N+]=[N-])C1(S(C)(=O)=O)CCC1 2166715431 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CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 808520138 MPBNMWAOOSBXHR-LBPRGKRZSA-N 312.366 0.765 10 10 DCCE COCc1cc(O)ccc1NS(=O)(=O)N1CCOCC1 840914944 JDKZJCMCGAMHSF-UHFFFAOYSA-N 302.352 0.528 10 10 DCCE CC[C@H](CN1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 1178207977 MUUXAUQMYXTYIA-CYBMUJFWSA-N 308.378 0.867 10 10 DCCE CNCCOCCN(C)C(=O)C(=O)N(C)Cc1ccccc1O 1331852704 OXYNILKFYPKCSR-UHFFFAOYSA-N 323.393 0.045 10 10 DCCE COC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 1607762225 QSJNEVZMVRMSAH-NEPJUHHUSA-N 323.345 0.582 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2cnccn2)CC1 1624970458 WGPIXCZTRRKFDA-UHFFFAOYSA-N 314.345 0.779 10 10 DCCE CS(=O)(=O)C[C@H]1CN(c2ccc(CO)cc2F)CCO1 2143669077 ARFQKGCPKJZBOL-LLVKDONJSA-N 303.355 0.568 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 701322457 ALBKBVAVZZIWDS-VHSXEESVSA-N 301.372 0.712 10 10 DCCE CO[C@H]1CCS(=O)(=O)N(CCOc2ccc(N)cc2)C1 2173794438 VDPODXSBIUFRQQ-ZDUSSCGKSA-N 300.380 0.698 10 10 DCCE COC[C@@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2269136498 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COc1ccc(N2CC[C@H](NS(=O)(=O)C3COC3)C2)cc1 849415847 GGGVWXDVVPVTHY-NSHDSACASA-N 312.391 0.592 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N3CC(CO)C3)C2)cc1 854298506 DGRDJULHVLVZHU-ZDUSSCGKSA-N 305.378 0.908 10 10 DCCE COC(=O)[C@@]1(CNCc2ccccc2O)C[C@@H]1S(C)(=O)=O 895508209 CREMQYQCMDCMKL-GXTWGEPZSA-N 313.375 0.458 10 10 DCCE CO[C@]1(C)C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 694459887 XQYJIZOZGZCLKW-CHWSQXEVSA-N 300.380 0.744 10 10 DCCE C[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c(Br)c1 1915236124 JJPSZJFSXQELPP-SSDOTTSWSA-N 315.167 0.539 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c(O)nnc1O 1293955160 CQRPOFQVAVVFQE-UHFFFAOYSA-N 319.321 0.181 10 10 DCCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CC(N)=O)cc1C 1717402473 GKIBYCNXLQAZTD-RYUDHWBXSA-N 307.394 0.862 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1O 1635842994 DWZSSHWBMLWKLO-SNVBAGLBSA-N 314.363 0.138 10 10 DCCE CCOC(=O)CCNC(=O)CCN1C(=O)CSC1=S 1865765325 ANQCFAVBTWXAKQ-UHFFFAOYSA-N 304.393 0.306 10 10 DCCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C[C@@H](C)N1 2161254026 FARMBORPWHDGMF-RKDXNWHRSA-N 303.359 0.870 10 10 DCCE COc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1CN 2204535637 IUAQQJBOXTWNMQ-UHFFFAOYSA-N 301.412 0.482 10 10 DCCE C[C@@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Cl 2234098600 UUBIAPLTLYBEMN-OWYVNGRQSA-N 300.786 0.654 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCNCC2(F)F)cc1 2279116888 BQRDNHZPKLDSCI-NSHDSACASA-N 305.350 0.685 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 808539970 KXVUQIHURWPCOE-CHWSQXEVSA-N 323.345 0.129 10 10 DCCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCS(C)(=O)=O 111006033 BZKGCNJFOZVRHN-AYLIAGHASA-N 318.420 0.389 10 10 DCCE CN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)CC1 1471564109 JPBFJCDBXHLPKD-CABCVRRESA-N 316.405 0.176 10 10 DCCE Cn1cc(C[C@@H](CO)CNC(=O)Cc2ccc(O)c(O)c2)cn1 1556572388 QPDDIYXPTPWZAQ-CYBMUJFWSA-N 319.361 0.341 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NN1C(=O)c2ccccc2C1=O 1633544185 DROFXZSPCQQLRF-UHFFFAOYSA-N 312.281 0.968 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CC(=O)N(CC2CC2)C1 1644476021 JYYLISCHYZJPMI-GFCCVEGCSA-N 304.346 0.767 10 10 DCCE C[C@@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)[S@@](C)=O 164990493 UEXOMUSYJABZSH-CWKPULSASA-N 306.391 0.951 10 10 DCCE CC(=O)C(=O)[C@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1 1890316532 KQXVBWQONISXJL-NSHDSACASA-N 301.339 0.579 10 10 DCCE O=C1C[C@H](NCc2cc(Br)cc(F)c2O)C(=O)N1 2034956949 FIJPLHHTSMKTQK-QMMMGPOBSA-N 317.114 0.799 10 10 DCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](C)S(C)(=O)=O 2170593428 GHKMQDVDLFYNRC-NXEZZACHSA-N 320.436 0.510 10 10 DCCE NCc1cc(F)c(N2CCC[C@](O)(C(N)=O)C2)cc1Cl 2177377987 PFUMOFYKJFHPNV-CYBMUJFWSA-N 301.749 0.754 10 10 DCCE COc1cccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)c1O 266806905 NVIMLNGEQYVPBH-LLVKDONJSA-N 307.350 0.821 10 10 DCCE C[C@@H](Cn1cncn1)N1C(=O)CN(Cc2ccccc2O)C1=O 819167461 BADPNSRHGDGXLN-NSHDSACASA-N 315.333 0.837 10 10 DCCE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc(O)cs2)C1=O 752820087 HCJBOGZKZUNGHJ-XLKFXECMSA-N 323.374 0.904 10 10 DCCE COC(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1155595892 ZOOKGHCBLXXTMW-UHFFFAOYSA-N 308.334 0.987 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc2ncccn2n1 1624955037 PPMPUUVJYVAVMF-SECBINFHSA-N 313.317 0.897 10 10 DCCE O=C(NCc1cccc(O)c1O)c1ccc(-n2cnnn2)cn1 1633515736 NPIVBCMYDCWKPK-UHFFFAOYSA-N 312.289 0.399 10 10 DCCE CC1(Cn2cc(C(=O)NCc3c(O)cccc3O)nn2)COC1 1647270209 OACIIRWWJAZESK-UHFFFAOYSA-N 318.333 0.656 10 10 DCCE CN1[C@@H](CNCc2ccc(F)c(F)c2O)CCS1(=O)=O 1971746567 PXTUPEWJKVHINT-SECBINFHSA-N 306.334 0.794 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@](O)(C(F)F)C3)c2n1 2063460207 YRDHLLDXFWXOKS-CYBMUJFWSA-N 312.276 0.585 10 10 DCCE CNC(=O)[C@H]1COCCN1c1cc(Cl)c(CN)cc1F 2177378010 PLEFQYKQMWDEKT-GFCCVEGCSA-N 301.749 0.889 10 10 DCCE NC(=O)NCC(=O)NCc1ccc(N2CCSCC2)cc1 58976904 ZSSCQPANRAJRHX-UHFFFAOYSA-N 308.407 0.524 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)[C@@H]1CCOC1 297550464 DEEXXNNZVURBPY-OAHLLOKOSA-N 319.405 0.958 10 10 DCCE C[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1cc(F)ccc1O 925790602 BUFZNMPRWKKIOS-ZYHUDNBSSA-N 316.398 0.959 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCC(CO)(CO)C2)cc1 853244377 KEKUQMUHPLXDIH-UHFFFAOYSA-N 307.394 0.639 10 10 DCCE C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cn[nH]c1 757925665 QJDRIBSMXALFER-QMMMGPOBSA-N 324.362 0.978 10 10 DCCE Nc1ccc(CCNC(=O)CN2CCN(C3CC3)C2=O)cc1 851632116 KUYBRBTYKTYMLT-UHFFFAOYSA-N 302.378 0.828 10 10 DCCE C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc2cccnc2c1O 862027999 MRDIBIPUKMMKKL-VIFPVBQESA-N 323.374 0.494 10 10 DCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cccc(OC)c2O)C[C@H]1C 866763733 NFPVBUSWXPNHES-GAJTVXKRSA-N 323.345 0.984 10 10 DCCE CNC(=O)CCOC1CCN(C(=O)c2cccc(O)c2O)CC1 790865203 UUUFLCPXXOAQGL-UHFFFAOYSA-N 322.361 0.855 10 10 DCCE CNC(=O)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1317665870 RWOVCPMLNVLQFV-UHFFFAOYSA-N 320.353 0.257 10 10 DCCE COCc1nnc2n1CCN(C(=O)Cc1ccc(O)c(O)c1)C2 1452923127 ULNCHXSAAVNSMZ-UHFFFAOYSA-N 318.333 0.421 10 10 DCCE COc1cccc(CNC(=O)CSc2n[nH]c(O)n2)c1O 1636061337 NEEBGHIYOHIFJR-UHFFFAOYSA-N 310.335 0.633 10 10 DCCE O=C(NCc1c(O)cccc1O)[C@H]1CCc2nncn2CC1 1647290222 PHTLWOIQOQHAEL-JTQLQIEISA-N 302.334 0.958 10 10 DCCE O=C(NC[C@H]1CCCS1(=O)=O)c1c(F)ccc(O)c1O 1641563458 AVPMOYUBXFKXMX-SSDOTTSWSA-N 303.311 0.544 10 10 DCCE O=C(NCc1cc(O)ccc1O)c1cccn2c(O)nnc12 1643882131 OIWMFCDUOCALQC-UHFFFAOYSA-N 300.274 0.776 10 10 DCCE CN(C)c1ccc(CNCC(=O)N2CCC[C@@H]2C(=O)O)cc1 1857865554 SBYKOHIAMFNHNY-CQSZACIVSA-N 305.378 0.918 10 10 DCCE CN(C)c1ccc([C@H](O)[C@@H](N)CCCS(C)(=O)=O)cc1 2147680438 XKBDVSIWUZOJGO-KBPBESRZSA-N 300.424 0.938 10 10 DCCE CC(C)(N)CCNS(=O)(=O)CCOc1ccc(N)cc1 2191638627 VXIIIAAIVSXKEW-UHFFFAOYSA-N 301.412 0.694 10 10 DCCE C[S@](=O)CCCCNS(=O)(=O)Cc1ccc(N)cc1 2110337871 XHFRQWXPPAWQKI-SFHVURJKSA-N 304.437 0.847 10 10 DCCE COc1ccc(Br)c(CNCC(CO)CO)c1O 2220462939 SZXLHNRFALWEIR-UHFFFAOYSA-N 320.183 0.854 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2COC[C@H]2C(=O)O)s1 2338427386 KKPGZNPKJYPQQT-HTQZYQBOSA-N 302.377 0.828 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCCO)C2=O)cc1 101346686 LEVKUHBUNKWVDC-FMIVXFBMSA-N 303.318 0.434 10 10 DCCE COC(=O)CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 36336840 ZBROLUMIULOHCD-VIFPVBQESA-N 314.363 0.574 10 10 DCCE CCN1CC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1=O 801800331 XDBXJTBMEORBGY-GFCCVEGCSA-N 307.350 0.821 10 10 DCCE OCC1(CO)CCN(Cc2ccc(N3CCOCC3)cc2)C1 827482245 UFWYZFCFFGURPW-UHFFFAOYSA-N 306.406 0.700 10 10 DCCE NC(=O)COC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1148224803 QVROUTUBZRLYHQ-UHFFFAOYSA-N 308.334 0.133 10 10 DCCE OCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(Br)c1 698122778 KVNCNWTWJSBJSP-UWVGGRQHSA-N 302.168 0.873 10 10 DCCE CN1C(=O)NC(=O)/C(=C/NC[C@]2(C)C[C@@H](O)CC(C)(C)C2)C1=O 1081807956 HNZXOGMTIJYWCC-ZOCUDQTESA-N 323.393 0.745 10 10 DCCE CSc1ncc(CNCC(=O)N2CCN(C)CC2)s1 2208471000 GREAWZRKXFDJRR-UHFFFAOYSA-N 300.453 0.729 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H](CO)C1 2157790432 YEJUUCSHOFQGFU-PHIMTYICSA-N 301.364 0.331 10 10 DCCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)COc1nnc(=N)[nH]n1 2210647924 SZPMDCLBQZAUSO-YMTOWFKASA-N 324.385 0.951 10 10 DCCE CSc1ncc(CNC(=O)C2=NO[C@@]3(CCNC3)C2)s1 2284641057 PMLPNUCTYVKJEK-LBPRGKRZSA-N 312.420 0.990 10 10 DCCE COc1cc(OC)c(N2CC[C@@](O)(C(N)=O)C2)cc1Cl 2285853574 IXXFLFOLOITFFK-ZDUSSCGKSA-N 300.742 0.784 10 10 DCCE CC(C)(NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(N)=O 2297505843 CASSHEKJGAVHTK-UHFFFAOYSA-N 317.389 0.917 10 10 DCCE C[C@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)C[C@@H](C)O1 63129939 GVZQMNLUWJYBLC-TXEJJXNPSA-N 313.423 0.755 10 10 DCCE CC(=O)c1cc(F)cc(CN2CCN3C[C@H](O)C[C@H]3C2)c1O 405284493 VIZMOPJJQIZRIZ-UONOGXRCSA-N 308.353 0.985 10 10 DCCE O=C(CN1CC(=O)NC1=O)NCc1ccc(N2CCCC2)cc1 171763776 DQWXCTUTAPYFCO-UHFFFAOYSA-N 316.361 0.455 10 10 DCCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1ccc(Cl)cc1O 2357917390 BRUZQANUVHVRBD-YUSALJHKSA-N 301.726 0.426 10 10 DCCE Cn1c(N/N=C/c2ccc(O)cc2)nc2c1c(O)nc(=O)n2C 606671919 GYUKRRXFOVRCET-VIZOYTHASA-N 314.305 0.524 10 10 DCCE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cccc(O)c1O 869990966 BIDDBEKJUSAWRX-PSLIRLAXSA-N 309.318 0.890 10 10 DCCE COc1cccc(CNC(=O)C2CN([C@H]3CCOC3)C2)c1O 896118528 YILJYICRDWPVMQ-ZDUSSCGKSA-N 306.362 0.738 10 10 DCCE O=C(CNC(=O)c1cccc(O)c1)NCc1ccc(O)cc1O 1142533432 JXZANFZHTPQATP-UHFFFAOYSA-N 316.313 0.850 10 10 DCCE C[C@H](O)c1cn(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)nn1 1153793411 VYJQJGCOPKUOPA-VIFPVBQESA-N 318.333 0.369 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912162867 BOYCGBIQWVREFY-VIFPVBQESA-N 322.412 0.526 10 10 DCCE C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccccc1O 1642831255 UWCSMOPQRXXSNM-JQWIXIFHSA-N 305.334 0.433 10 10 DCCE CCN1CC[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1=O 2063176060 WYPXIDJUALTTHD-SNVBAGLBSA-N 303.322 0.094 10 10 DCCE Cc1cc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1O 2089616120 XLYUZSARRVZDGA-JTQLQIEISA-N 305.377 0.629 10 10 DCCE Nc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C2OCCO2)cc1 2089608836 JLSRXQDYEALVJV-DZGCQCFKSA-N 308.378 0.846 10 10 DCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)c(Br)c1 2308770296 XTKOLNRVIQPLNA-WTFGDDLMSA-N 314.179 0.872 10 10 DCCE CN(C)S(=O)(=O)N1CCc2cc(N3CCOCC3)ccc21 41122115 FWOFOZCIKLVTOT-UHFFFAOYSA-N 311.407 0.692 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](CO)[C@@H](O)C3)cc2N1 811838034 PWNJJHNQZGHTSL-UFBFGSQYSA-N 323.305 0.105 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)COC3(C)CNC3)C2)cc1 851640162 RMALJVXJGNVPQZ-CYBMUJFWSA-N 319.405 0.769 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCNC3)C2)cc1 851664494 CBIXZMCEQRWHGT-OLZOCXBDSA-N 304.394 0.935 10 10 DCCE C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1S(C)(=O)=O 850751089 UJXFIERTRJEIGO-SNVBAGLBSA-N 312.395 0.766 10 10 DCCE O=C1CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)O1 869294856 GNSBIXBRIIRINA-OAHLLOKOSA-N 318.373 0.970 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNCCOCCCO)c1O 1117591563 WGGBIJOTEXMAJV-UHFFFAOYSA-N 300.311 0.798 10 10 DCCE CC(=O)c1cn(C2CN(Cc3cc4c(cc3O)OCO4)C2)nn1 897937299 LVEDISUFPPVFPV-UHFFFAOYSA-N 316.317 0.972 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 703484345 XONGCCONFPRPCE-SECBINFHSA-N 306.334 0.794 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCOC2)cc1C 1320199275 AXOLTUVRDVSGDO-GJZGRUSLSA-N 322.405 0.607 10 10 DCCE CSCC[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 1865876263 ZTVDWDKCMHWQPN-ZETCQYMHSA-N 301.320 0.740 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCCOC2)cc1 70490728 RDQSTOUNWXCXPB-GFCCVEGCSA-N 314.407 0.994 10 10 DCCE C[C@H](CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[S@](C)=O 229812110 HRCHVUTYDDFRNL-HNLRAMPDSA-N 314.407 0.241 10 10 DCCE CN(Cc1nc[nH]n1)S(=O)(=O)CCOc1ccc(N)cc1 80511253 IFGTVFJZSDFOIZ-UHFFFAOYSA-N 311.367 0.228 10 10 DCCE NC(=O)[C@H]1CNCCN1Cc1cc(Br)ccc1O 236214154 CLEYIJAGODSHEI-SNVBAGLBSA-N 314.183 0.414 10 10 DCCE CC(=O)C(=O)COC(=O)c1sc(S(N)(=O)=O)cc1C 808510309 NDMGSYAMZROJDK-UHFFFAOYSA-N 305.333 0.019 10 10 DCCE CC(=O)C(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12 808512918 QLKDWIDJJMRRGU-UHFFFAOYSA-N 317.301 0.384 10 10 DCCE CN1C[C@H](NCc2ccc(Br)cc2O)C(=O)N1 691396511 TULHVWUWCMNEBR-VIFPVBQESA-N 300.156 0.590 10 10 DCCE C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330497900 XHQCQBAGHWNUIG-NEPJUHHUSA-N 318.373 0.711 10 10 DCCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912174870 FQKDIKOIXBTAGM-ZJUUUORDSA-N 303.388 0.863 10 10 DCCE COc1ccc(CNCCN(C)C(=O)c2ncn(C)n2)cc1C 1713588965 NJWWTYHLQKGQLD-UHFFFAOYSA-N 317.393 0.994 10 10 DCCE C[C@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CS1(=O)=O 1583837856 ORRHRDGOTWHICX-ONGXEEELSA-N 313.375 0.722 10 10 DCCE Cn1ccnc1C1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1650900466 PHHWBSRKOSICOP-UHFFFAOYSA-N 303.318 0.104 10 10 DCCE NCc1cc(F)c(N2C[C@H](O)[C@@H](CO)C2)cc1Br 316187651 QQXNVQSCOYMBFJ-PELKAZGASA-N 319.174 0.836 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1COCCO1 2159993185 SWXYWNWDTDXBEN-GXFFZTMASA-N 300.380 0.492 10 10 DCCE O=C(O)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCS1(=O)=O 2197722977 LDSJOLBAXGDDOV-NSHDSACASA-N 319.766 0.729 10 10 DCCE OCCC1(O)CN(c2ccc(CO)cc2Br)C1 2249539486 IHINVCXHAPUAOD-UHFFFAOYSA-N 302.168 0.875 10 10 DCCE CNCc1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2315147218 QHUYTTRPAIDVNE-CYBMUJFWSA-N 315.211 0.958 10 10 DCCE CCS(=O)(=O)N(C)Nc1nc([C@H]2C[C@@H]2C(=O)O)cs1 2339782314 WMYSPMBWKHQCGI-BQBZGAKWSA-N 305.381 0.940 10 10 DCCE O=C1N[C@H](C(=O)NCc2cccc(Br)c2O)CO1 295119931 JPZQDJQZCZPBNT-QMMMGPOBSA-N 315.123 0.879 10 10 DCCE COc1ccc(N2CC[C@@H](NS(=O)(=O)NC3CC3)C2)cc1 849415907 HQPKKMIXPFJRBH-GFCCVEGCSA-N 311.407 0.860 10 10 DCCE CCN(CC)[C@H](C)CNC(=O)C(=O)NCCc1ccc(N)cc1 842219886 UYMRYFLHWFHPPK-CYBMUJFWSA-N 320.437 0.774 10 10 DCCE CN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCC1=O 853869372 RRGXFCVFJQMPTN-UHFFFAOYSA-N 320.305 0.594 10 10 DCCE OC[C@@H]1CC[C@@H](CO)N1Cc1ccc(N2CCOCC2)cc1 930901986 LQYRBAFRVXBIQE-IRXDYDNUSA-N 306.406 0.841 10 10 DCCE COc1ccc(O)c(CNC(=O)CN2CCCCC(=O)C2=O)c1 866767208 MGIRCRQWJSAFAZ-UHFFFAOYSA-N 320.345 0.599 10 10 DCCE COC(=O)c1cc(OCC(=O)N2CCNC2=O)ccc1N(C)C 865395978 HFCVVLADHBGVLV-UHFFFAOYSA-N 321.333 0.470 10 10 DCCE C[C@H](NC[C@@]12COCCN1C(=O)COC2)c1ccc(F)cc1O 866554909 VHSYCVKGYGGZKE-ZBEGNZNMSA-N 324.352 0.810 10 10 DCCE CNC(=O)C1(NCc2cc(OC)c(OC)cc2O)CCOCC1 895885129 SPAYOVLECURKOX-UHFFFAOYSA-N 324.377 0.794 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](CO)NCC2CC2)cc1 1717784681 NXKPTFHPIHYZTB-ZDUSSCGKSA-N 319.365 0.939 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)CC(C)(C)O)cc1C 1732641987 PGKSHIXNKBMOHW-AWEZNQCLSA-N 324.421 0.731 10 10 DCCE C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1ccccc1O 1642831254 UWCSMOPQRXXSNM-CMPLNLGQSA-N 305.334 0.433 10 10 DCCE CCS(=O)(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 233829445 CSRSOKWVAWWVFN-UHFFFAOYSA-N 306.409 0.123 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3c(O)cccc3F)[C@@H]2C1 2160803977 LEPHGAYGJOTRFQ-VXGBXAGGSA-N 300.355 0.102 10 10 DCCE CCS(=O)(=O)C[C@@](C)(O)[C@@H](N)c1ccc(N(C)C)cc1 2170495152 DWJWMRVQCVDOAL-UONOGXRCSA-N 300.424 0.938 10 10 DCCE O=C(CS(=O)(=O)CCOC1CC1)c1ccc(O)c(O)c1 2190865641 VSVWFZBGVBBBJO-UHFFFAOYSA-N 300.332 0.874 10 10 DCCE CN(C(=O)CN1CC[C@H](C2OCCO2)C1)c1ccc(N)cc1 2089608757 IRZWRSHYOAVHOY-LBPRGKRZSA-N 305.378 0.926 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H](CC(=O)O)C(=O)O)s1 2284545228 XHCCYBWMWCXKEZ-LURJTMIESA-N 319.364 0.592 10 10 DCCE NC(=O)NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 70975956 OYYNMVRIBLDWTN-GFCCVEGCSA-N 307.350 0.568 10 10 DCCE CNC(=O)NC[C@@H]1CN(Cc2cccc(OC)c2O)CCO1 529641061 JVSAMLVOJHXENP-GFCCVEGCSA-N 309.366 0.531 10 10 DCCE C[C@@H](NC(=O)[C@@H](O)C(C)(C)O)c1ccc(N2CCOCC2)cc1 900387050 PCVNGPOUYDXHES-IUODEOHRSA-N 322.405 0.832 10 10 DCCE COc1cccc(CNC(=O)[C@]2(C)CCCS2(=O)=O)c1O 907060127 KUCGBCVRGQLBRU-AWEZNQCLSA-N 313.375 0.984 10 10 DCCE CCON(C)C(=O)CNC(=O)NCc1cc(OC)ccc1O 844975164 PXFGUZPOKNTIPB-UHFFFAOYSA-N 311.338 0.610 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CN)c(Cl)c2)C1 703004280 WMFIKNYTFZLBKH-SNVBAGLBSA-N 303.815 0.927 10 10 DCCE Nc1ccc(CC(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1 1959523966 RZWSIOVJMQKPON-UHFFFAOYSA-N 301.268 0.701 10 10 DCCE COc1ccc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)cc1C 1320285596 CXLRBEXRTLICGV-GFCCVEGCSA-N 319.365 0.002 10 10 DCCE NCc1ccc(N2CC[C@@](O)(CO)C2)cc1Br 313654780 IWOVNAVVRCYZLH-LBPRGKRZSA-N 301.184 0.841 10 10 DCCE Nc1ccc(NC(=O)CCCN2CCS(=O)(=O)CC2)cc1 36159628 LWQSNEIKXITCRG-UHFFFAOYSA-N 311.407 0.718 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 848787636 HVZHJOMYHDCAKJ-INIZCTEOSA-N 303.314 0.536 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 855227131 WOZITTVFPJWCGK-ZWNOBZJWSA-N 305.334 0.499 10 10 DCCE CO[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 852791527 ITXCKYLMWLLIEP-BPUTZDHNSA-N 321.421 0.920 10 10 DCCE CCOC(=O)C1=CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1 861517488 LKTAMDFAFKQFOM-ZDUSSCGKSA-N 317.345 0.975 10 10 DCCE CN(Cc1ccccc1O)C(=O)c1cn(C(F)(F)CO)nn1 1137345449 JDLBVQJOMYGCFO-UHFFFAOYSA-N 312.276 0.798 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCS(N)(=O)=O 1447560612 GAGIWQGYOCGQHT-VIFPVBQESA-N 316.379 0.214 10 10 DCCE O=C1CC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@@H]2N1 1640044756 TWOQFNMZIZQHFY-RYUDHWBXSA-N 304.346 0.767 10 10 DCCE CN(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cncn1C 1595596077 PSKMHBDQEHHJIW-AWEZNQCLSA-N 304.350 0.750 10 10 DCCE O=C(O)[C@H]1CN(Cc2ccc(F)cc2O)CCS1(=O)=O 2204630363 VRMNBNJZWFUETF-LLVKDONJSA-N 303.311 0.215 10 10 DCCE C[C@@H](CN)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 722215010 RVDFPUDULRYXJX-QMMMGPOBSA-N 307.397 0.147 10 10 DCCE COC(=O)CC[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O 828666813 IXKDCSRKDHOPLJ-SKDRFNHKSA-N 310.350 0.859 10 10 DCCE COC[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCOC1 838256379 CCNIAHAQJDIQSC-HNNXBMFYSA-N 310.302 0.877 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCCNC2)cc1 842036460 RYLOBFBAZKCBMQ-CQSZACIVSA-N 318.421 0.627 10 10 DCCE CN1C(=O)CC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O 922963568 UMAWOJYZYGMXRI-JTQLQIEISA-N 309.297 0.478 10 10 DCCE Nc1ccc(CNC(=O)CC2(n3cnnn3)CCOCC2)cc1 850711455 NSOHOMWINHKEQQ-UHFFFAOYSA-N 316.365 0.468 10 10 DCCE CC(=O)C(=O)[C@@]1(O)CCCOC12CN(C(=O)OC(C)(C)C)C2 1958496784 FOYRGYKTZAYUKR-HNNXBMFYSA-N 313.350 0.676 10 10 DCCE C[C@H](C[S@@](C)=O)NC(=O)c1ccn(-c2ccc(N)cc2)n1 168654247 FBAYTLQYSLXSAR-UZJPJQLHSA-N 306.391 0.951 10 10 DCCE [N-]=[N+]=NCCN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 1962305563 TZAKBEUNPKSWRX-RQJHMYQMSA-N 308.264 0.151 10 10 DCCE COCC[C@H]1COCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063198948 GISPWQCWKDOQOV-NSHDSACASA-N 320.349 0.621 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2CO[C@@H]3CNC[C@H]3O2)s1 2284494265 LNLVLYLWFGHDEF-BBBLOLIVSA-N 315.420 0.237 10 10 DCCE Cc1ccc(CNC(=O)[C@@H](O)CCN)c(O)c1Br 2327597750 ZPCLOYYGRGTWMB-VIFPVBQESA-N 317.183 0.789 10 10 DCCE C[C@](N)(CO)c1ccc(I)c(N)c1O 238509941 IARWQQVLVJMVAP-VIFPVBQESA-N 308.119 0.745 10 10 DCCE CCCN(Cc1ccccc1O)C(=O)CN1CCOCC1=O 280764312 YJBNICZXDCILHW-UHFFFAOYSA-N 306.362 0.990 10 10 DCCE Nc1ccc(OC[C@H](O)CS(=O)(=O)[C@@H]2CCOC2)cc1 722439539 LPZLVXJCNOXTEE-WCQYABFASA-N 301.364 0.212 10 10 DCCE Cc1ccc(O)c(CNS(=O)(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 867559060 GERBPICAJRKMLE-CYBMUJFWSA-N 324.402 0.883 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C1CCOCC1 773744120 MZBSXOIGQBUILP-BMIGLBTASA-N 309.362 0.933 10 10 DCCE O=C(CO)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 793591027 FJUKFMAUVRILFD-UHFFFAOYSA-N 319.405 0.160 10 10 DCCE Cn1nc(Br)cc1S(=O)(=O)NCCN=[N+]=[N-] 1912176370 YEVKGRXZZURMHS-UHFFFAOYSA-N 309.149 0.771 10 10 DCCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912174868 FQKDIKOIXBTAGM-UWVGGRQHSA-N 303.388 0.863 10 10 DCCE CCn1ncn(NC(=O)c2ccc(N=NC(N)=O)cc2)c1=O 1450466736 MTUNSYZZGJKJLU-UHFFFAOYSA-N 303.282 0.611 10 10 DCCE COC(=O)CCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C 1597911949 RXENKUYJFHVAFV-NSHDSACASA-N 322.361 0.807 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc(CN)c(Cl)c2)C1 2109343918 NNOXSFXFTVJFGY-UHFFFAOYSA-N 303.815 0.927 10 10 DCCE O=C(O)[C@@H](NCc1ccc(F)cc1O)C1CS(=O)(=O)C1 2204629924 QAKBEZXGJDWXJP-NSHDSACASA-N 303.311 0.119 10 10 DCCE CN(CCN1CCc2cc(O)c(O)cc2C1)S(C)(=O)=O 2366921860 SJGSADDTYULBMM-UHFFFAOYSA-N 300.380 0.347 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1 530104277 MVGVMHDJDAIOCT-ZDUSSCGKSA-N 323.393 0.839 10 10 DCCE COc1ccc(O)c(CN2CCC[C@H](CS(N)(=O)=O)C2)c1 271706589 FNRKWUXMXWQVTF-NSHDSACASA-N 314.407 0.901 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)cc1 822999104 BHMRQRIWEALLSW-AWEZNQCLSA-N 319.361 0.889 10 10 DCCE COc1ccc(N2CCCN(C(=O)[C@H](OC)C(=O)O)CC2)cc1 901917891 NCKDSBUDUYQARR-AWEZNQCLSA-N 322.361 0.834 10 10 DCCE CCON(C)C(=O)CN1C(=O)CN(Cc2ccccc2O)C1=O 844742126 OLDCHCZCSIWMJU-UHFFFAOYSA-N 321.333 0.566 10 10 DCCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CO)cc2F)C1 702958221 OAEDCXQWXGVWFH-NSHDSACASA-N 302.371 0.836 10 10 DCCE COc1ccc(CNC[C@@H](O)CNC(=O)CC(C)(C)O)cc1C 1732641991 PGKSHIXNKBMOHW-CQSZACIVSA-N 324.421 0.731 10 10 DCCE COC[C@@]1(CO)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1640895933 GCSJOSAFKJUVLS-IMMZDGJCSA-N 307.346 0.968 10 10 DCCE C[C@@H](O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1663341998 FLYBNBPLWDLETK-SNVBAGLBSA-N 307.354 0.891 10 10 DCCE O=S(=O)(NCCNCc1cc(F)cc(F)c1O)C(F)F 1964071006 OFZHQDLOHUSLSW-UHFFFAOYSA-N 316.276 0.902 10 10 DCCE COc1cccc(CN[C@@H](C)CS(=O)(=O)N(C)C)c1O 1967713633 PSBKEAJQPMIHKC-JTQLQIEISA-N 302.396 0.770 10 10 DCCE C[S@@](=O)C1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 380128887 YYJPQHUKQGCVCQ-GOSISDBHSA-N 302.421 0.599 10 10 DCCE CN1C[C@@H](NCc2cc(Br)ccc2O)C(=O)N1 393900740 AVYGIMJZLHBNJL-SECBINFHSA-N 300.156 0.590 10 10 DCCE COc1ccc(Br)c(CN[C@H](CO)[C@H](C)O)c1O 2220462449 LPRMRYQKEQOQCC-OIBJUYFYSA-N 320.183 0.995 10 10 DCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)c(Br)c1 2308770295 XTKOLNRVIQPLNA-KNDHEWATSA-N 314.179 0.872 10 10 DCCE N[C@@H](c1cc(I)ccc1O)[C@@H](O)C(=O)O 1952069027 FWPQELVZAUFFSU-JGVFFNPUSA-N 323.086 0.442 10 10 DCCE O=C(CN1CCN(C2CC2)C1=O)NCCc1ccc(O)c(O)c1 830531277 HGFNDFBGKCRIOJ-UHFFFAOYSA-N 319.361 0.657 10 10 DCCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1cc(F)cc(F)c1O 927029078 YXMNDEOBPCGLAJ-CBAPKCEASA-N 309.334 0.727 10 10 DCCE C[C@@H]1[C@H](NC(=O)NCc2c(O)cccc2F)CCS1(=O)=O 923440453 HSMZOYJFNLMQJM-LDYMZIIASA-N 316.354 0.906 10 10 DCCE COc1ccc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)c(O)c1 794389258 JUBPZDIKMUDJSC-UHFFFAOYSA-N 321.333 0.347 10 10 DCCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC(=O)N1C 799983791 BHMJFFUYTQLNMN-MRVPVSSYSA-N 320.305 0.593 10 10 DCCE O=C(C(=O)N1CCC[C@@H]2COC[C@@H]21)N1Cc2cccc(O)c2C1 1335620636 DAZIVOYDDRYFCV-OCCSQVGLSA-N 316.357 0.872 10 10 DCCE COc1ccc(CNCCN(C)C(=O)c2nc[nH]n2)cc1C 1714766124 CRZURESZEWNADP-UHFFFAOYSA-N 303.366 0.984 10 10 DCCE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1cccc(O)c1O 1635961009 TTYJGQHZGOEWGN-SNVBAGLBSA-N 305.290 0.335 10 10 DCCE C[C@@H]1SC(=S)N(CCCC(=O)N2CCOCC2)C1=O 11636216 IACSTXMVVBNNSF-VIFPVBQESA-N 302.421 0.874 10 10 DCCE C[C@@H]1CO[C@H](CO)CN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 167224369 YNMPEBNFWXOYRF-UJVNDKKSSA-N 311.769 0.878 10 10 DCCE CC(=O)N1CCN(C(=O)CNCc2cc(C)ccc2O)CC1 1857868081 QAMFRMCKPOOOLT-UHFFFAOYSA-N 305.378 0.481 10 10 DCCE Cn1cc(C=CC(=O)N2CCc3ccccc32)c(=O)n(C)c1=O 2040490127 KJCGGMYEWCAZNR-UHFFFAOYSA-N 311.341 0.687 10 10 DCCE CS(=O)(=O)CCc1noc(-c2cc(O)c(O)c(O)c2)n1 2188913051 OPMJKZKSNXRQFJ-UHFFFAOYSA-N 300.292 0.441 10 10 DCCE CN1CCCc2cc(CNC(=O)C(=O)N3CC(CO)C3)ccc21 285593606 AZIIFVNPRJIQEH-UHFFFAOYSA-N 317.389 0.136 10 10 DCCE CNC(=O)NCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 292250780 DIMQNXBNMHHOCC-UHFFFAOYSA-N 320.393 0.663 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CCN2C(=O)OCC[C@@H]2C1 827546955 CECIRFJHBMWACQ-MRVPVSSYSA-N 310.281 0.904 10 10 DCCE COCCCn1nc(C(=O)NCc2ccccc2O)ccc1=O 830527345 ZKIMSVGFPIFITL-UHFFFAOYSA-N 317.345 0.915 10 10 DCCE C[C@H](O)[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1 839670539 HGJFSYCEYHQJFW-BBRMVZONSA-N 321.421 0.450 10 10 DCCE CN(C)c1ccc(CNC[C@]2(CO)COCCN2C)cc1F 922535410 HCKZCNLMWIDDNO-INIZCTEOSA-N 311.401 0.674 10 10 DCCE O=C(c1cc(O)cs1)N1CCO[C@H](CN2CCOCC2)C1 870060774 NRYHOBHVNAKAAX-GFCCVEGCSA-N 312.391 0.627 10 10 DCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)[C@@H](C)C1 1912183055 KLZFQMTYZQMBIC-GXSJLCMTSA-N 304.372 0.785 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)cc1C 1480574794 YROZBSJPKQUXQZ-JSGCOSHPSA-N 319.405 0.877 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCO)c1 1567467532 LPFCVZBZKDPZLZ-SNVBAGLBSA-N 305.334 0.648 10 10 DCCE O=C(c1ccc(O)c(O)c1)N1CC(NC(=O)C(F)(F)F)C1 1962355966 UHUKPTDERUWSCN-UHFFFAOYSA-N 304.224 0.601 10 10 DCCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1O 387748816 ZTCYLONXKZEKQO-ZWNOBZJWSA-N 300.380 0.290 10 10 DCCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2270519805 ADWBFBCXSNNQOL-QMMMGPOBSA-N 308.743 0.288 10 10 DCCE Nc1ccc(OC[C@H](O)CS(=O)(=O)CC(F)(F)F)cc1 2360206045 SNFJWXQSQVVDSI-VIFPVBQESA-N 313.297 0.986 10 10 DCCE CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 36131165 QHHUMZCNOGKPJU-CYBMUJFWSA-N 311.407 0.651 10 10 DCCE CC(=O)C(=O)CN1C(=O)N[C@]2(C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1=O 377193340 RLFFMIGDBARMED-DZUFCKETSA-N 304.346 0.891 10 10 DCCE CN1CCOC[C@@]1(CO)CNCc1cc(F)cc(F)c1O 922535767 WHNFRKVZRRMGJZ-AWEZNQCLSA-N 302.321 0.453 10 10 DCCE COc1cccc(O)c1CN1CCC[C@H](CS(N)(=O)=O)C1 769385130 SYACGIIVXFAICX-NSHDSACASA-N 314.407 0.901 10 10 DCCE COC(=O)/C=C/c1ccc(N2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 772293524 VQPRKWXFIPLPLH-UHOOHFNOSA-N 322.317 0.713 10 10 DCCE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCCN=[N+]=[N-] 1885563516 VRZDWLYSYSUIRA-UHFFFAOYSA-N 300.363 0.869 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 1998336702 PMMRCMGZKKXRHA-PHIMTYICSA-N 301.184 0.840 10 10 DCCE CC(C)NCc1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2158218200 KOUJBHKPCWOEJR-UHFFFAOYSA-N 313.408 0.987 10 10 DCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)CC1 2161835293 FPBRTWQGIWMBMG-GHMZBOCLSA-N 303.388 0.853 10 10 DCCE CCN1CCN(C(=O)c2cnn3c(O)cc(C)nc23)[C@H](C)C1 2062014723 GIWOIQCIGSDISO-LLVKDONJSA-N 303.366 0.910 10 10 DCCE NCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Br 2084798718 PSRJGXFBPNTUTR-SDDRHHMPSA-N 319.174 0.788 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2COC)cc1Cl 2234077050 YOIUJSRJYNPBSE-RDBSUJKOSA-N 300.786 0.616 10 10 DCCE CN(C)CCNC=C1C(=O)NC(=S)N(c2ccccc2)C1=O 2296114159 OMFDYOCBJHJGNJ-UHFFFAOYSA-N 318.402 0.469 10 10 DCCE C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(N)=O 170995705 BQZDRYDWHKVVNB-RPTYSRGTSA-N 303.362 0.526 10 10 DCCE O=C1c2ccc(CO)c(O)c2C(=O)c2ccc(CO)c(O)c21 196323494 SCBDSCFSYIFNAB-UHFFFAOYSA-N 300.266 0.858 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2(CCO)CC2)cc1 97817330 ITRBQGBRUKCDHB-UHFFFAOYSA-N 314.407 0.730 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3=NO[C@H](CN)C3)C2)cc1 852899690 BWFBQKNNQQNWPR-FZMZJTMJSA-N 318.377 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10 10 DCCE NS(=O)(=O)CCCCNC(=O)NCc1ccccc1O 1251475166 IBKUSZFDCRDDSN-UHFFFAOYSA-N 301.368 0.260 10 10 DCCE NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c(F)ccc(O)c1O)C2 1472624303 JWALGBAMWWXHDR-AYVTZFPOSA-N 308.309 0.965 10 10 DCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](CO)NC(N)=O 1540567192 CTJHKNXVBOSGEM-AWEZNQCLSA-N 320.393 0.274 10 10 DCCE Cn1cc(C(=O)NCc2ccc3cccnc3c2O)n(C)c1=O 1639624867 NHLXVEZWLRMEGG-UHFFFAOYSA-N 312.329 0.908 10 10 DCCE Cn1cnnc1[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1641930423 IPJIYTVBJWMOMP-GFAPAMAISA-N 304.306 0.089 10 10 DCCE CSc1ncc(CNS(=O)(=O)CCC(N)=S)s1 2248737784 RLHOUGQGVHDMSF-UHFFFAOYSA-N 311.479 0.961 10 10 DCCE COc1cc(N)c(N2CCCS(=O)(=O)CC2)cc1OC 234912880 QMFHOFFCPNVYIH-UHFFFAOYSA-N 300.380 0.911 10 10 DCCE COC[C@](O)(CO)CNCc1c(O)cccc1Br 1966064991 NLIPCZIWNIRPLQ-GFCCVEGCSA-N 320.183 0.614 10 10 DCCE C[C@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)c1ccccc1O 2192624139 UEYFFMTYSABKMD-ONGXEEELSA-N 300.380 0.331 10 10 DCCE C[C@@H]1O[C@@H](CC(=O)O)C[C@@]23O[C@]12C(=O)c1c(O)cccc1C3=O 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C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H](O)C(F)(F)F 2197316271 KOOOWBZBJYAYAN-XCBNKYQSSA-N 312.313 1.000 10 10 DCCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]1(COc1nnc(=N)[nH]n1)C2 2210650415 UVCSAMVFGUUSGE-XPTSAGLGSA-N 322.369 0.848 10 10 DCCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Cl 2289485423 KOFFFZVTCDANMY-JCOFBHIZSA-N 304.749 0.088 10 10 DCCE C[C@@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)[C@H](C)CO1 193340948 PEEDANFTPZMGCC-VXGBXAGGSA-N 313.423 0.755 10 10 DCCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@H]3CCS(=O)(=O)C3)cc21 227323925 KDKAJTGDIYYLOU-GXFFZTMASA-N 309.391 0.286 10 10 DCCE O=C(CO)NCCC(=O)NCc1c(O)ccc2c1CCCC2 907060970 SCKZWCKNMAHZQU-UHFFFAOYSA-N 306.362 0.386 10 10 DCCE CCCCS(=O)(=O)NCC(=O)NCc1c(O)cccc1F 928705193 HEDZUDQQZOUTBS-UHFFFAOYSA-N 318.370 0.867 10 10 DCCE O=C(C[C@H]1CCS(=O)(=O)C1)NCc1c(O)cccc1F 1354285642 ZTMWDQDADYDFFR-SECBINFHSA-N 301.339 0.972 10 10 DCCE C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351982834 LJCQQMNGYNDVSZ-MNOVXSKESA-N 303.362 0.443 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NCC(=O)N2CCCO2)cc1 1469453175 HUKQAMDEPIVHAO-UHFFFAOYSA-N 305.294 0.743 10 10 DCCE CNC(=O)N[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1632532737 HATJIBIJZSITBR-MZBZXASESA-N 305.334 0.641 10 10 DCCE Cn1cc(C2=NO[C@H](C(=O)NCc3cc(O)ccc3O)C2)cn1 1643885686 UTKJVGRPFOPGIU-AWEZNQCLSA-N 316.317 0.641 10 10 DCCE COc1ccc(CNC(C)(C)CNS(C)(=O)=O)c(O)c1 708362668 WKVQZBKKXCUDMY-UHFFFAOYSA-N 302.396 0.818 10 10 DCCE O=C1CN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1 2297505522 QHTYADNQEJWBNK-UHFFFAOYSA-N 315.373 0.495 10 10 DCCE COC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 14860732 JNWDNAASYHRXMG-RXMQYKEDSA-N 306.226 0.753 10 10 DCCE biogenic,in-vitro NC(=O)CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 179833911 DZBONCHVPLIHOT-UHFFFAOYSA-N 318.421 0.126 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 808521715 AXGLQAVHUCPCEM-OAHLLOKOSA-N 323.320 0.900 10 10 DCCE CN1CCN(c2ccc(CN3CC(C)(C(N)=O)C3)cc2)CC1 843416356 PYYYWDBBQZIYNS-UHFFFAOYSA-N 302.422 0.746 10 10 DCCE CO[C@H](C)CS(=O)(=O)NNc1nc2cccnc2s1 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320.324 0.834 10 10 DCCE CON1CC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1=O 905841011 VKPDCNHPDOMJIH-ZDUSSCGKSA-N 303.322 0.774 10 10 DCCE O=C(NC[C@H]1CCCCN1CCO)c1c(F)ccc(O)c1O 833560005 YNOMWEIAYZTZHK-SNVBAGLBSA-N 312.341 0.814 10 10 DCCE CN(C)CCN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O 928705514 KREPHWVTXWMCEX-LLVKDONJSA-N 323.368 0.558 10 10 DCCE CNC(=O)NC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 859696664 ODXKWEHVBMYIJW-LBPRGKRZSA-N 307.354 0.431 10 10 DCCE C[C@H](NC(=O)C(=O)N[C@@H]1CCN[C@H]1C)c1ccc(N(C)C)cc1 861765910 ASXDYODRTOSRTR-SLEUVZQESA-N 318.421 0.796 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F 870031026 HFLKBBRPSHOVET-LBPRGKRZSA-N 321.276 0.990 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC2(O)CCSCC2)cc1 702239882 NAEDYOWCPIHVLN-UHFFFAOYSA-N 316.448 0.946 10 10 DCCE CNC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 1626837864 HOCWXTCAGNNSOY-UHFFFAOYSA-N 301.302 0.782 10 10 DCCE NCCCNCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 1848437383 FVFDFXRLJHKPAH-FNORWQNLSA-N 307.394 0.946 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2(O)CCC2)cc1 127300656 JARODJUAPSHZGK-UHFFFAOYSA-N 300.380 0.482 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 808486945 OCRNJTMSLRVGRJ-MRVPVSSYSA-N 303.270 0.372 10 10 DCCE COC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@@H](C)O1 2063371276 BVAGAPKZZFMROZ-MNOVXSKESA-N 320.349 0.619 10 10 DCCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234097797 PWBSEJBBNBNEDA-HERUPUMHSA-N 300.786 0.654 10 10 DCCE COc1cc(Br)cc([C@H]2CNCC(=O)N2)c1O 1952520824 QXTDGBMTOCXJEF-MRVPVSSYSA-N 301.140 0.924 10 10 DCCE COc1cccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)c1O 266806909 NVIMLNGEQYVPBH-NSHDSACASA-N 307.350 0.821 10 10 DCCE CC(=O)C(=O)COC(=O)Cc1c(C)nc2c(c(O)nn2C)c1C 808515886 ZZKPYNNOAWSJDE-UHFFFAOYSA-N 319.317 0.535 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CCC(CN)CC2)cc1 842035007 BCFCPEZVCQJVBV-UHFFFAOYSA-N 318.421 0.566 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cccc(F)c1O 697034931 BICLDMKEUVBBGG-VXGBXAGGSA-N 303.355 0.775 10 10 DCCE C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1119006430 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10 10 DCCE COc1cccc(CNC(=O)c2nc(O)nc(O)c2OC)c1O 1294925017 KYAIEMDKHDNAGK-UHFFFAOYSA-N 321.289 0.541 10 10 DCCE CON(Cc1cc(N)ccc1O)C1CCS(=O)(=O)CC1 2173185924 SLZUNLQNRQBQJD-UHFFFAOYSA-N 300.380 0.915 10 10 DCCE CO[C@@H]1[C@H](OC)CN[C@H]1C(=O)NCc1cnc(SC)s1 2284631445 WOOOVXBAYVBTNX-OPRDCNLKSA-N 317.436 0.483 10 10 DCCE CNCc1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2361472639 AAYXCVVFQWOYCL-BXKDBHETSA-N 302.346 0.917 10 10 DCCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccco3)C(=N)N21 96459631 PSPIIDFVWOIKGS-PMEZZHSESA-N 324.343 0.901 10 10 DCCE COC(=O)/C=C/c1ccc(N(CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 291218979 VTQGEZVPMTYOOY-DUMNWFOQSA-N 324.333 0.961 10 10 DCCE CC(=O)C(=O)[C@H](O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1892742586 VRYDRJFXEHNOFU-WDEREUQCSA-N 301.339 0.531 10 10 DCCE C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 834536621 KAYIKXMHLZWWJU-NSHDSACASA-N 318.377 0.015 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C3(O)CCOCC3)C2)cc1 855225446 JCFWEJSAJAJLPP-CYBMUJFWSA-N 320.389 0.932 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2CSC2)cc1 698024834 YTYJEQIPNDBHKC-UHFFFAOYSA-N 302.421 0.930 10 10 DCCE C[C@@H](N)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332128656 RWLRTURNZYSZQP-VXGBXAGGSA-N 317.389 0.820 10 10 DCCE COC(=O)[C@@H]1O[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C[C@H]1C 1595752542 RXHTYVNKAMZKRK-OWYVNGRQSA-N 323.345 0.723 10 10 DCCE CC[C@H](CO)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1596656839 VHEPTIYXJLENSH-CYBMUJFWSA-N 308.378 0.555 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Cl)c1 2146330266 WTPDJXMAVNWPDK-IIMNLJJBSA-N 300.786 0.918 10 10 DCCE C[C@H](CNS(=O)(=O)CCOc1ccc(N)cc1)[S@@](C)=O 165059173 IOARLXQBNFQACP-DGIBIBHMSA-N 320.436 0.334 10 10 DCCE C[C@@H](C(N)=S)S(=O)(=O)NCc1ccc(N(C)C)cc1 2104179057 UXRKAUXHIPEMKS-VIFPVBQESA-N 301.437 0.847 10 10 DCCE CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 127808928 UFICDCWCUCTJSB-STQMWFEESA-N 314.407 0.726 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 808536416 INWCEYGVVCYORN-UHFFFAOYSA-N 309.259 0.914 10 10 DCCE O=S1(=O)CCN(c2ccc(CNC[C@H](O)C3CC3)cc2)CC1 849326301 GOXSYFTUTPTFRO-INIZCTEOSA-N 324.446 0.782 10 10 DCCE CC(=O)C(=O)COC(=O)C1(n2cc(Br)cn2)CC1 924217435 SYDOMCQTTUXIJD-UHFFFAOYSA-N 315.123 0.836 10 10 DCCE O=C(O)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868342379 HWFUDQYJKGZPTH-NSHDSACASA-N 318.329 0.558 10 10 DCCE CC(=O)N1CCO[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 935312010 UUMDUDWJKBTELK-MEBBXXQBSA-N 322.361 0.392 10 10 DCCE COc1ccc(CNCCN2CCCS2(=O)=O)c(O)c1 105473287 CKJUZQWOHAKMQF-UHFFFAOYSA-N 300.380 0.526 10 10 DCCE C[C@](NCCCN=[N+]=[N-])(C(=O)O)[C@H]1CCCS(=O)(=O)C1 1912179395 ULWPTDLNVVRANM-GXSJLCMTSA-N 304.372 0.945 10 10 DCCE CCN(C1COC1)S(=O)(=O)CCOc1ccc(N)cc1 1915701804 TVYPWTGTKLENDH-UHFFFAOYSA-N 300.380 0.698 10 10 DCCE CN(C)C(=O)O[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1298262045 YBSIDRWAXDWNKS-LLVKDONJSA-N 308.334 0.939 10 10 DCCE O=C(NCc1nc(O)c2c(n1)CCOC2)c1cccc(O)c1O 1588033108 QUMFVEWZJYRGQG-UHFFFAOYSA-N 317.301 0.596 10 10 DCCE Oc1cccc(Br)c1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046517706 BCHLKGRJUXUJDH-SASUGWTJSA-N 318.167 0.099 10 10 DCCE NC[C@H]1C[C@@](F)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191783106 ZGMZVPRGESICRN-AULYBMBSSA-N 301.387 0.765 10 10 DCCE COc1ccc([C@H](C)NCC2(O)CS(=O)(=O)C2)c(O)c1 2283093257 WGZQYDXGELGDAE-VIFPVBQESA-N 301.364 0.211 10 10 DCCE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 769564162 LITRSGBNVSVDKC-AOOOYVTPSA-N 302.714 0.881 10 10 DCCE COC(=O)c1cccn(CC(=O)NCc2ccccc2O)c1=O 1445970931 MJAQXAHVTWEMLT-UHFFFAOYSA-N 316.313 0.657 10 10 DCCE COCCNC(=O)CNCc1cc(Cl)cc(OC)c1O 228677189 WUDXECJDQIPZNP-UHFFFAOYSA-N 302.758 0.906 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2nccnn2)CC1 1633774263 JRZGCMNXEYJYCL-UHFFFAOYSA-N 315.333 0.174 10 10 DCCE CCOCCOCCOC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878427 BEJBRGCMTCHVOG-UHFFFAOYSA-N 321.337 0.454 10 10 DCCE C[C@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1ccc(N)cc1 2160844071 NYQQNVRTMZLLCI-SNVBAGLBSA-N 320.436 0.511 10 10 DCCE C[C@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2289356988 BMDYJPSHEBYRNX-WBRVRECLSA-N 301.770 0.544 10 10 DCCE COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3ncnn3C2)c1 114602389 WXWNLRZBDWREKK-LLVKDONJSA-N 317.349 0.807 10 10 DCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2357916125 QHWHCPBOYIYANS-MJBXVCDLSA-N 300.786 0.352 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(O)(CO)CC3)cc2N1 313631903 RCMNFHMTFAPUKQ-UHFFFAOYSA-N 323.305 0.249 10 10 DCCE COc1ccc(N2CCN(S(=O)(=O)[C@H](C)CO)CC2)cc1 88875605 ZUDDRYQUPIFKIO-GFCCVEGCSA-N 314.407 0.528 10 10 DCCE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)C(C)=O 808505589 HJABKXYHRBQSMP-LLVKDONJSA-N 319.379 0.282 10 10 DCCE COc1cccc(CNCC[C@H]2CNCCS2(=O)=O)c1O 903969080 UOEIFOOOGWXUON-LBPRGKRZSA-N 314.407 0.267 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC(=O)N(C2CC2)C1 1137792029 GPMNKJSCXHQWNK-LLVKDONJSA-N 304.346 0.767 10 10 DCCE CO[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330396725 OEAPKOWWAFHSHS-GFCCVEGCSA-N 304.346 0.872 10 10 DCCE NCc1cc(F)c(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043128869 IMZUAZWXNXXTKJ-DTORHVGOSA-N 319.174 0.979 10 10 DCCE O=C1NCC2(CN(c3ccc(CO)c(Br)c3)C2)N1 2057541127 YOFQVYTXLAVHLN-UHFFFAOYSA-N 312.167 0.813 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCC23OCCO3)cc1 2071728320 DSRBVSACCCEYHI-ZDUSSCGKSA-N 312.391 0.984 10 10 DCCE COC(=O)CN(C)S(=O)(=O)Nc1ccc(O)cc1Cl 2105192318 XBIRDHLAKGBCQC-UHFFFAOYSA-N 308.743 0.807 10 10 DCCE COC(=O)c1cnc(S[C@H](C)C(=O)NCC(=O)O)s1 2231004791 FWUHUQRCFHQKDJ-RXMQYKEDSA-N 304.349 0.611 10 10 DCCE CSc1ncc(CNC(=O)N(CC(=O)O)CC(=O)O)s1 2284544747 SIJXZZCQDWRDDM-UHFFFAOYSA-N 319.364 0.546 10 10 DCCE CNC(=O)NC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1 530104276 MVGVMHDJDAIOCT-CYBMUJFWSA-N 323.393 0.839 10 10 DCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H]12 827389686 QGJLIEYKTYREBB-YUTCNCBUSA-N 315.366 0.775 10 10 DCCE COC(=O)CC[C@@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832267406 RQESNZDYIHSRQD-KGLIPLIRSA-N 322.409 0.149 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C1CCOCC1 773744124 MZBSXOIGQBUILP-ZUZCIYMTSA-N 309.362 0.933 10 10 DCCE CN(C)CCN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871202618 JVKHKUKJYVNEAA-CYBMUJFWSA-N 317.389 0.645 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCc2ccc(OC)cc2O)nn1 1139031932 GPRAXJCNVZKHLR-LLVKDONJSA-N 320.349 0.693 10 10 DCCE CC[C@@H](CN1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 1178207980 MUUXAUQMYXTYIA-ZDUSSCGKSA-N 308.378 0.867 10 10 DCCE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1cccc(O)c1O 1640250168 FVVOUEXBHAXZJM-OAHLLOKOSA-N 319.317 0.656 10 10 DCCE Nc1ccc(OC[C@@H](O)CN2CC[C@H](C3OCCO3)C2)cc1 2089609527 PWMOYVYEFKZBEW-JSGCOSHPSA-N 308.378 0.703 10 10 DCCE Nc1ccc(CS(=O)(=O)NCCCN2CCOCC2)cc1 37393546 RQKLSUZQDBVRKX-UHFFFAOYSA-N 313.423 0.411 10 10 DCCE N[C@](CO)(C(=O)O)c1cc(I)ccc1O 238590820 PSTSCVKFBJJQDY-VIFPVBQESA-N 323.086 0.228 10 10 DCCE O=C(C[C@@H]1NC(=O)NC1=O)NCCCSc1nccs1 758020165 KDCVQEGMLZWKFP-ZETCQYMHSA-N 314.392 0.340 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)c2ncc[nH]2)cc1C 1272406801 QCKZAFVCBYBMJD-ZDUSSCGKSA-N 318.377 0.607 10 10 DCCE 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NC/C=C\CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 841711845 IMHIBJBAKDXLPB-UPHRSURJSA-N 322.384 0.976 10 10 DCCE CN1CCN(c2ccc(CN3C(=O)N[C@@H](CF)C3=O)cc2)CC1 925080537 VSBBTIFYKNXPTP-AWEZNQCLSA-N 320.368 0.828 10 10 DCCE CCN1C[C@H](S(=O)(=O)N[C@@H](C)c2ccccc2O)CC1=O 867836378 QGAWVWFCDKBBMS-WDEREUQCSA-N 312.391 0.993 10 10 DCCE C[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1)c1ccccc1O 870988092 GCNQIHKMSADPOH-WCQYABFASA-N 305.378 0.828 10 10 DCCE Cc1ccc(C(=O)NCc2nnc(O)n2C2CC2)c(O)c1O 1143932505 BKRLFPUQNHJZBA-UHFFFAOYSA-N 304.306 0.968 10 10 DCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCCS(=O)(=O)CC1 694777297 PZEHIDLCBKQWFR-NSHDSACASA-N 304.372 0.787 10 10 DCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@@H](C)C1 1912187591 KZRFGYBSUUPPCN-ONGXEEELSA-N 304.372 0.785 10 10 DCCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCO 1715091140 WKVZODRBVMDYQE-LLVKDONJSA-N 307.354 0.939 10 10 DCCE CNS(=O)(=O)CCN(C)c1cc(OC)c(OC)cc1N 2151038758 KWPPNBJSPCAVPP-UHFFFAOYSA-N 303.384 0.271 10 10 DCCE NCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(Br)c1 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0.036 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)c1cnn2c(=O)cc[nH]c12 1150488390 RIPUSRHDDKHUOJ-UHFFFAOYSA-N 314.301 0.406 10 10 DCCE C[C@@]1(O)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329437246 LYKVQVYURWJFJD-MRXNPFEDSA-N 304.346 0.608 10 10 DCCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 1334721302 RKVRGCMTCRWYGD-GHMZBOCLSA-N 318.329 0.160 10 10 DCCE C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330497903 XHQCQBAGHWNUIG-RYUDHWBXSA-N 318.373 0.711 10 10 DCCE C[C@H](O)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275046454 TYNHGCVFXCHUSJ-ZJUUUORDSA-N 307.354 0.938 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@]3(O)CCOC3)CC2)cc1 1627619307 PCKZHXFJVLTGOR-KRWDZBQOSA-N 320.389 0.932 10 10 DCCE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1cccc(O)c1O 1965038112 AXHPOHFTUGMOSY-QMMMGPOBSA-N 302.352 0.108 10 10 DCCE CO[C@H](C)CS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 2283826331 NMWLYLZGIGOMPD-PWSUYJOCSA-N 303.380 0.458 10 10 DCCE C[C@H](C(N)=S)N1CCN(C(=O)c2cccc(O)c2O)CC1 126157433 XANGVPLLOTUKGI-SECBINFHSA-N 309.391 0.530 10 10 DCCE CCNC(=O)CCNS(=O)(=O)CCOc1ccc(N)cc1 228309114 VKJDYDABSRDNHB-UHFFFAOYSA-N 315.395 0.093 10 10 DCCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(N)=O)O1 92006599 BZCHSSXFFLOJSC-CJNGLKHVSA-N 319.405 0.598 10 10 DCCE N[C@@](CO)(C(=O)O)c1cccc(I)c1O 238618075 HRMQIRZKWFFKOG-SECBINFHSA-N 323.086 0.228 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N3CCOC[C@H]3CO)c(Cl)cc21 253082340 XCKYXGHFRFKKBT-OQPBUACISA-N 311.769 0.750 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(=O)n(C)c(=O)n1C 853472941 HMHMWYMPHDPXIB-SECBINFHSA-N 305.334 0.538 10 10 DCCE Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 861546457 ZNJQISUSXCHSCZ-ZDUSSCGKSA-N 316.361 0.477 10 10 DCCE CN1CCN(c2ccc(CN3CCOC4(CNC4)C3)cc2)CC1 1329996920 YVKKDROPPAXDAD-UHFFFAOYSA-N 316.449 0.613 10 10 DCCE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)s1 1912200557 JAVNIOYDEPHIRR-LURJTMIESA-N 317.356 0.570 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2[C@H](CO)CC[C@H]2CO)cc1 1299976859 CAFSCEUDSNBFTR-RYUDHWBXSA-N 306.322 0.807 10 10 DCCE C[C@H](CN(C)CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 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311.338 0.090 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CCn3nncc3C2)cc1 847015957 BAGNDHDTEFRMSE-UHFFFAOYSA-N 314.393 0.476 10 10 DCCE O=C(CCCN1C(=O)CNC1=O)NCc1c(O)cccc1F 928710576 UZYGSVNPPICXRG-UHFFFAOYSA-N 309.297 0.480 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CCOC3CNC3)C2)cc1 851639665 JCTJFCQBNJALJE-CYBMUJFWSA-N 319.405 0.769 10 10 DCCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 850833761 QQNKBCVDYDSDRY-LLVKDONJSA-N 314.349 0.348 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc(O)cc(O)n1 1301573295 BFBMOQDFKZKKHP-DUXPYHPUSA-N 303.274 0.629 10 10 DCCE C[C@H]1[C@@H](C)OCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351838750 TUCMWUHHOVSXSE-WDEREUQCSA-N 304.346 0.870 10 10 DCCE COC(=O)C1=S=C(NC(=O)c2oc(C(=O)OC)cc2C)C=C1 1361321425 AELDHFKUNIJLTC-UHFFFAOYSA-N 323.326 0.883 10 10 DCCE CS(=O)(=O)c1cccnc1C(=O)NCc1ccc(O)c(O)c1 1445899552 GAIBWAOTKNOPEA-UHFFFAOYSA-N 322.342 0.826 10 10 DCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 1866302724 BAGWGKFWVIKSOB-QMMMGPOBSA-N 301.320 0.063 10 10 DCCE 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311.401 0.409 10 10 DCCE COC(=O)C[C@]1(NC(=O)c2cccc(O)c2O)CCCOC1 1616971948 BAKJXCUDAJMAHD-OAHLLOKOSA-N 309.318 0.940 10 10 DCCE CN(C)C(=O)/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1 1625607169 BIHBKYYDAAPMHI-BQYQJAHWSA-N 317.389 0.784 10 10 DCCE CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)c1ccccc1O 1648891959 JUSRGFYSTBXNIT-NSHDSACASA-N 321.377 0.602 10 10 DCCE C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCOc1ccc(N)cc1 385270505 SLTIVUPTJFQVJL-CMPLNLGQSA-N 300.380 0.433 10 10 DCCE C[C@@]1(CO)COCCN1S(=O)(=O)Cc1ccc(N)cc1 2169066418 MZDXNLARYGPDKV-CYBMUJFWSA-N 300.380 0.182 10 10 DCCE CN1C(=O)C(=Cc2ccccc2OCC(=O)O)C(=O)NC1=S 2294199255 JBRAPSQIMKTUKX-UHFFFAOYSA-N 320.326 0.407 10 10 DCCE Cc1ccc(CNC(=O)[C@@H](O)CN)c(O)c1Br 2307463044 FGYPCVBAIDSOAP-QMMMGPOBSA-N 303.156 0.399 10 10 DCCE C[C@@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(N)=O 108909032 BMGXAVZNUPWNAZ-RPTYSRGTSA-N 304.346 0.953 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](O)C3)c(Br)cc21 221246925 WSGRYJGIWMWPQM-KBUNVGBDSA-N 312.167 0.972 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)cc1 270732036 RJUVIKIFPKGGHU-GFCCVEGCSA-N 305.382 0.705 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(O)n(C)c1=O 274722319 AORBPASLNMQXAC-QMMMGPOBSA-N 319.317 0.258 10 10 DCCE COC(=O)[C@](C)(O)CN(C)CCN(C)c1ccc(OC)cc1 844401114 HVJWJDXHJBDMFD-MRXNPFEDSA-N 310.394 0.987 10 10 DCCE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(O)cs1 871493963 HJNSTLQAEXXOKJ-VIFPVBQESA-N 315.347 0.878 10 10 DCCE CS(=O)(=O)CCSC[C@@H](O)COc1ccc(N)cc1 111004229 OSJRDQGRAWXHGV-NSHDSACASA-N 305.421 0.786 10 10 DCCE Cn1nnnc1SCCC(=O)NCc1ccc(O)cc1O 1638352701 UTNCATHUNONFJN-UHFFFAOYSA-N 309.351 0.420 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2161836680 TVJZQKIEAFFOAQ-WDEREUQCSA-N 303.388 0.710 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC(O)(C(F)(F)F)C2)cc1 2170376897 ALCTZJDOYPIZHP-UHFFFAOYSA-N 310.297 0.708 10 10 DCCE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(O)c(O)c1 2170555271 ZSNWSMWYKFCVDM-SECBINFHSA-N 301.364 0.993 10 10 DCCE COC1(OC)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2187693908 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COC(=O)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329786862 MUYCCLWJYKLVEO-LLVKDONJSA-N 318.329 0.256 10 10 DCCE COC(=O)NCC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1265754714 KGTVOGNERUBECN-LBPRGKRZSA-N 323.393 0.954 10 10 DCCE C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O 1342766152 GGHIUAAMOHRAHI-DGCLKSJQSA-N 306.362 0.892 10 10 DCCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1CO 1261867524 JFOZDNYODZHKIY-YPMHNXCESA-N 318.373 0.711 10 10 DCCE CN(C)CCN1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1350299768 IPSMWJZOGKHJRU-GFCCVEGCSA-N 321.377 0.124 10 10 DCCE CC(=O)C(=O)[C@@]1(O)CN(Cc2ccccc2)[C@]2(CCOC2)C1 1934840590 ABCBZAKVXKIFFZ-SJORKVTESA-N 303.358 0.941 10 10 DCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Cl)c1 2146330264 WTPDJXMAVNWPDK-FZZIBODNSA-N 300.786 0.918 10 10 DCCE CNC(=O)CCS(=O)(=O)CCCOc1ccc(N)cc1 399222337 XCVFSQASTNSZDC-UHFFFAOYSA-N 300.380 0.589 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@@H](CO)C1CC1 2167069733 CUFJDNPCANUBSM-ZDUSSCGKSA-N 301.364 0.331 10 10 DCCE CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1 491224992 QPQVETGBFOEJRA-WTKPLQERSA-N 317.320 0.899 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H](O)C[C@@H]1CO 179184090 KIGYHLAVMYKYKO-CVEARBPZSA-N 321.421 0.139 10 10 DCCE COCCNC(=O)CN1CCN(c2ccc(OC)cc2)CC1 68678561 IEWYXZYJDQJQJX-UHFFFAOYSA-N 307.394 0.580 10 10 DCCE C[C@@H](NC(=O)C(=O)[C@@H]1SC(=S)NC1=O)c1ccccc1 198720511 GSQHZOIFZZDYIS-XCBNKYQSSA-N 308.384 0.949 10 10 DCCE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(O)c1O 844035434 OQKABBLFQWUPPN-JTQLQIEISA-N 307.350 0.290 10 10 DCCE CN(C)c1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1F 865051982 ZZODMOJBWMASIS-UHFFFAOYSA-N 300.355 0.553 10 10 DCCE Nc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)cc1 868286452 QHDLINALTCLAES-WESMLRFZSA-N 301.346 0.747 10 10 DCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Br)ccc1O 895369025 ZQDUAYRYJXBXIJ-ZJUUUORDSA-N 315.167 0.575 10 10 DCCE CN(C)C[C@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1137732805 QHUBBUUCZVZSMM-CQSZACIVSA-N 307.354 0.891 10 10 DCCE NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)nc1 798334298 UREJECNADPUBKO-UHFFFAOYSA-N 307.331 0.365 10 10 DCCE [N-]=[N+]=N[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1N=[N+]=[N-] 196485632 WQZLKYFRGKFHEZ-PLDPKQSISA-N 317.273 0.656 10 10 DCCE COCCNCc1ccc(N(C)CCS(C)(=O)=O)cc1 94299147 ZYAUPXXVJJCMQU-UHFFFAOYSA-N 300.424 0.903 10 10 DCCE Cc1ccc(C(=O)NC2(CCO)CCN(C)CC2)c(O)c1O 1633284420 HCRXZHMHINVZKQ-UHFFFAOYSA-N 308.378 0.983 10 10 DCCE C[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CS1(=O)=O 1583837853 ORRHRDGOTWHICX-GXSJLCMTSA-N 313.375 0.722 10 10 DCCE CN1CCN(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1597658099 LLDANFGRXWVRIZ-UHFFFAOYSA-N 307.394 0.346 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H](O)[C@H](C)C(=O)O)CC2)cc1 1858168719 YHCTYWQEIDGQBA-SMDDNHRTSA-N 322.361 0.425 10 10 DCCE CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn2c(O)cc(C)nc12 2062733603 QDQVLFNQUDVVAC-GHMZBOCLSA-N 306.322 0.277 10 10 DCCE CN(C)CCONS(=O)(=O)CCOc1ccc(N)cc1 2191761224 RLDUYWWUWVSUEJ-UHFFFAOYSA-N 303.384 0.060 10 10 DCCE CO[C@H]1CNC[C@@H]1S(=O)(=O)NCc1cccc(C)c1O 2204624838 RAODRKKFFAGLTO-RYUDHWBXSA-N 300.380 0.107 10 10 DCCE O=C(O)[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1O 228402943 NLTBNAOKPXDBPL-LLVKDONJSA-N 314.363 0.666 10 10 DCCE O=S1(=O)CCN(c2ccc(CNCc3cn[nH]c3)cc2)CC1 733330716 JYVVPWDBVUSOKG-UHFFFAOYSA-N 320.418 0.934 10 10 DCCE C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCS1(=O)=O 870044833 NMMXGQPVWJIVRV-ATPLWMGHSA-N 311.359 0.757 10 10 DCCE COc1cc(C)cc(CN2CCn3c(CO)nnc3C2)c1O 894070880 INEUPZJVROIEBQ-UHFFFAOYSA-N 304.350 0.809 10 10 DCCE O=S1(=O)CC2(CN1)CN(c1ccc(CO)cc1Cl)C2 2119564284 IKSTVSIQNFTBST-UHFFFAOYSA-N 302.783 0.572 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccn[nH]2)cc1 223336366 DVCNRSBKIQGDAJ-UHFFFAOYSA-N 316.364 0.582 10 10 DCCE COC(=O)/C=C/c1ccc(N(C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 1458617094 BCZHQEWOPILFIY-IOKDEZFASA-N 322.317 0.977 10 10 DCCE Nc1ccc(OCC(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1 1977904866 RKUPFNJWGLVBRO-UHFFFAOYSA-N 317.267 0.537 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2COC[C@@H]2F)cc1 2191525732 AGFWKEONSHBAMV-RYUDHWBXSA-N 304.343 0.304 10 10 DCCE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCCN=[N+]=[N-])C2)C1 2243726046 UFZCGHBUAGLJOQ-UHFFFAOYSA-N 324.385 0.964 10 10 DCCE COc1cc2c(c(OC)c1OC)C(=O)N[C@H](C(=O)O)CN2C 527432166 SUZYPRIFOPLERI-ZETCQYMHSA-N 310.306 0.345 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCN)cc1 722214826 ORDJSDFJQJYIOE-UHFFFAOYSA-N 307.397 0.149 10 10 DCCE CN1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)NC1=O 830558737 ACODFDFESJJGJY-CYBMUJFWSA-N 303.362 0.911 10 10 DCCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCN 842222895 VTLULVWNNIXDTK-UHFFFAOYSA-N 320.437 0.955 10 10 DCCE COc1ccc(N(C)CCN(C)Cn2nc(C)n(C)c2=O)cc1 844726784 WLMDTTHPICTPRI-UHFFFAOYSA-N 319.409 0.925 10 10 DCCE CN(C)S(=O)(=O)N1CC(NCc2ccc3c(c2)CCO3)C1 858311892 PAGWVUWMAFHBSJ-UHFFFAOYSA-N 311.407 0.202 10 10 DCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)C1CC1 80935598 WCZABSFISCAOHD-VIFPVBQESA-N 301.320 0.175 10 10 DCCE COC(=O)[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCSC1 1296024042 PIYMMGHOQPLYBI-CQSZACIVSA-N 311.359 0.805 10 10 DCCE NC(=O)[C@H]1OCC[C@@H]1NCc1ccc(Br)cc1O 2053786798 VNXMFUYPDUFDIA-ONGXEEELSA-N 315.167 0.887 10 10 DCCE O=C(NCCS(=O)(=O)C(F)(F)F)c1ccc(O)c(O)c1 2232504014 JMUJBPZJOHNGNJ-UHFFFAOYSA-N 313.253 0.762 10 10 DCCE C[C@H](NCC1CN(S(C)(=O)=O)C1)c1c(O)cccc1O 2233052206 AIKDHZHNNQQTAO-VIFPVBQESA-N 300.380 0.640 10 10 DCCE COC[C@]1(C(=O)NCc2cnc(SC)s2)CNCCO1 2284495812 CPDJDBZOWRARKO-LBPRGKRZSA-N 317.436 0.486 10 10 DCCE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)Nc1ccc(N)cc1 36283906 DDBARWMNMLTFHD-LBPRGKRZSA-N 313.379 0.953 10 10 DCCE CC(=O)N(C(=S)N1CCN(CCO)CC1)c1ccc(N)cc1 243095095 IYSYYGCNCXRLKV-UHFFFAOYSA-N 322.434 0.517 10 10 DCCE COc1cc2c(cc1Cl)N(C)C[C@]2(O)CN1CCNCC1 527414777 PCCQRKNKMWGQGX-HNNXBMFYSA-N 311.813 0.891 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2cc(OC)ccc2O)CCO1 529641985 LMUZVKBFHOLMOR-ZDUSSCGKSA-N 309.366 0.531 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)NCCC(N)=O)C2)cc1 853292379 XAFDRYNJPGCTKW-LLVKDONJSA-N 306.366 0.449 10 10 DCCE CNC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227191 UFBRNHUVWQOWNO-LBPRGKRZSA-N 320.393 0.709 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F 928709698 LJBQJVPBOZPTBC-LLVKDONJSA-N 316.354 0.572 10 10 DCCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1 1312681107 VKJWLZMLKNPLIX-JTQLQIEISA-N 306.322 0.130 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn2nnnc12 1611432048 VRPSUSUYINNENN-SECBINFHSA-N 313.317 0.897 10 10 DCCE CNC(=O)[C@H](CCSC)NC(=O)Cc1ccc(O)c(O)c1 1625570240 UIYFVNGXSGHVPR-JTQLQIEISA-N 312.391 0.624 10 10 DCCE Nc1ccc(-n2nnc(C(=O)NCCc3ccc(O)cc3)n2)cc1 1857879032 RYFPOAGUIFNBSC-UHFFFAOYSA-N 324.344 0.923 10 10 DCCE COc1cc2c(cc1OC)N(CCCS(N)(=O)=O)CC2 1970282770 XOZPMRYPQBCQFS-UHFFFAOYSA-N 300.380 0.745 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)N(C)C[C@H]3C)c2n1 2063411445 LKICFWKZLVGLED-GHMZBOCLSA-N 303.366 0.908 10 10 DCCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2167086361 BNZQJPVOLDTYHJ-WPRPVWTQSA-N 302.356 0.900 10 10 DCCE Cc1cc2nc(O)[nH]c2cc1N=NC1C(=O)NC(=O)NC1=O 2333205430 RITYHZCLJGBCAJ-UHFFFAOYSA-N 302.250 0.395 10 10 DCCE CC(=O)N(C(=O)C(=O)NCc1cccnc1)c1ccc(N)cc1 170318177 XBXQAZWDMOTGOK-UHFFFAOYSA-N 312.329 0.860 10 10 DCCE Nc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)CCN3C2=O)cc1 126352929 FNUUVEHCUSIYAE-NSHDSACASA-N 309.347 0.225 10 10 DCCE Cc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c(O)c1O 834565335 SZKLDWPDXVIHHD-MRXNPFEDSA-N 308.378 0.935 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)CN2CC(=O)NC2=O)c1 732286287 DRNQSLQIUDUZJB-QMMMGPOBSA-N 307.306 0.130 10 10 DCCE Cc1ccc(O)c([C@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c1 858570058 QYHNNKHDOIIUQE-NSHDSACASA-N 313.423 0.842 10 10 DCCE COCCOCCS(=O)(=O)NCc1c(O)cccc1F 921452644 VBJWTVWRPNZLDH-UHFFFAOYSA-N 307.343 0.614 10 10 DCCE O=S1(=O)CCNC[C@H]1CCN[C@@H]1CCc2cccc(O)c21 925789990 ZPANPZBCAQNBGH-CHWSQXEVSA-N 310.419 0.746 10 10 DCCE COC(=O)N(C)CCN(C)C(=O)C(=O)Nc1ccc(N)cc1 850851923 MAFAJDWSLCLWCR-UHFFFAOYSA-N 308.338 0.364 10 10 DCCE O=C1C[C@H](S(=O)(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 867690521 GPFJXVLPBOXSIF-LBPRGKRZSA-N 322.386 0.801 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C)C3=O)CC2)cc1 771866338 BPYYOZZJAYGFMK-HNNXBMFYSA-N 317.389 0.822 10 10 DCCE NS(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2F)o1 1303879295 WMXWQMBFXPRBMY-UHFFFAOYSA-N 314.294 0.702 10 10 DCCE C[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1O 1632246679 KNWBNQZYVFYEFS-SECBINFHSA-N 313.317 0.654 10 10 DCCE CS(=O)(=O)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1630759130 JNTVXJPTUTXWHB-UHFFFAOYSA-N 313.375 0.676 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(N[C@@H]2CCOC2)C1 1647773163 ONOWFOQXTMYYDM-DTRQGZQOSA-N 304.346 0.700 10 10 DCCE CS(=O)(=O)N1CC(CNCc2ccc(F)c(F)c2O)C1 877439284 BFYMEFCCGCBNES-UHFFFAOYSA-N 306.334 0.651 10 10 DCCE COc1ccc(Br)c(CNCC[C@H](O)CO)c1O 2220464547 QCVXHWKTJKPJCL-QMMMGPOBSA-N 320.183 0.996 10 10 DCCE COc1c(O)nc(O)n(Cc2cnc(SC)s2)c1=O 2269246323 PNDMCXZYXUBWLW-UHFFFAOYSA-N 301.349 0.890 10 10 DCCE CSc1ncc(CNS(=O)(=O)c2n[nH]cc2CN)s1 2269277263 BTAJJXMMZGEDGM-UHFFFAOYSA-N 319.437 0.525 10 10 DCCE O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=c2cc[nH]c2=C1 367785057 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C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccccc1O 1587451550 ZGBHKYCDVKDNBA-VIFPVBQESA-N 324.362 0.114 10 10 DCCE Cc1ccc(O)c(CNC(=O)NCc2cn(C)c(=O)nc2O)c1 1685762695 WEZDVKVLLFPACG-UHFFFAOYSA-N 318.333 0.499 10 10 DCCE NC(=O)C=Cc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)nc1 2324426144 VNJZEJAZQLNDQL-UHFFFAOYSA-N 315.285 0.949 10 10 DCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)cc1Cl 2358550977 FUCRGYAMBQJAGH-PWURMNTRSA-N 301.770 0.950 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N3CCO[C@@H](CO)C3)c(Cl)cc21 221135135 CUOTYFBCKWKWNG-OQPBUACISA-N 311.769 0.750 10 10 DCCE CCOc1ccc(O)c(CN(C)C[C@H](O)CN2CCOCC2)c1 93583954 BPPUCQLOLRPHMZ-HNNXBMFYSA-N 324.421 0.916 10 10 DCCE [N-]=[N+]=NCCCCNS(=O)(=O)C1CCS(=O)(=O)CC1 231733473 VALZFBJWPSAPPR-UHFFFAOYSA-N 310.401 0.574 10 10 DCCE CCOc1ccc(O)c(CN2CCC3(CC2)NC(=O)NC3=O)c1 273721312 IFQKOBFCYFEFNK-UHFFFAOYSA-N 319.361 0.965 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccccc1OCC(=O)N(C)C 808496959 DWBRPKOLPFGNPQ-UHFFFAOYSA-N 307.302 0.469 10 10 DCCE Cc1cc(CC(=O)NC[C@H](O)C(N)=O)c(C)n1-c1ccccc1 834574176 OPZOOKRBVSPONM-HNNXBMFYSA-N 315.373 0.599 10 10 DCCE COC(=O)CCNC(=O)CCNCc1ccc2c(c1)CCO2 858293196 RMVOUTJEJIRJIY-UHFFFAOYSA-N 306.362 0.781 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCOC(=O)N3)C2)cc1 862159554 UBVUZPQZKBOCNQ-SMDDNHRTSA-N 319.361 0.889 10 10 DCCE CCOC(=O)c1[nH]cnc1CNC(=O)Cc1ccc(O)c(O)c1 1304143704 IKAUFTMMIAKQSO-UHFFFAOYSA-N 319.317 0.857 10 10 DCCE O=C(NCCNC(=O)c1cc[nH]n1)NCc1c(O)cccc1F 1230799253 HUUSPQJNZUXWNZ-UHFFFAOYSA-N 321.312 0.484 10 10 DCCE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC(N=[N+]=[N-])C1 1912172607 VIAOVMMTJNENKR-SECBINFHSA-N 321.428 0.569 10 10 DCCE COc1ccc(-n2nnnc2CN(C)[C@@H](C)CNC(C)=O)cc1 1282347001 YNHREJPXRHIIES-NSHDSACASA-N 318.381 0.627 10 10 DCCE CS(=O)(=O)Nc1nc(CC(=O)NCCCN=[N+]=[N-])cs1 701301958 XKNNDYYLVBMONF-UHFFFAOYSA-N 318.384 0.874 10 10 DCCE COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2O)c1O 2177844488 FWJCXMXINCYXLR-UWVGGRQHSA-N 321.782 0.302 10 10 DCCE CCN[C@H]1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)ccc21 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0.711 10 10 DCCE O=C(NCc1cccc(O)c1O)c1cccnc1OCCO 1471642179 MYCGFMVPJZWGDX-UHFFFAOYSA-N 304.302 0.794 10 10 DCCE OCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2249564223 SEMBGFDAWNXXNU-RYUDHWBXSA-N 302.168 0.873 10 10 DCCE CSc1ncc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)s1 2284638929 SNDZXIPMVOOVRU-JTQLQIEISA-N 316.452 0.581 10 10 DCCE CCS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)C(C)=O 808508338 BFALHSWABGMZPZ-UHFFFAOYSA-N 313.331 0.763 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc(CN)c(F)c2F)C1 2165633165 OEUVBYDSDNVUNZ-UHFFFAOYSA-N 305.350 0.551 10 10 DCCE CC(=O)C(=O)COC(=O)C[C@H](NC(N)=O)c1ccccc1C 808501426 OVNKSQVUSLBFNI-LBPRGKRZSA-N 306.318 0.796 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)cc1 855230146 NUFGQNFFMWXJOX-LLVKDONJSA-N 303.362 0.656 10 10 DCCE COC[C@](C)(O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855234003 QLHQIGYGQLWYFO-LRDDRELGSA-N 308.378 0.788 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN3CCN2CC3)cc1 1183048659 LOKCTWYPYMVBLT-ZDUSSCGKSA-N 316.365 0.579 10 10 DCCE O=C(C(=O)N1[C@H]2CCNC[C@H]1CC2)N1Cc2cccc(O)c2C1 1332129403 ZZLGBXFCKQXVPG-CHWSQXEVSA-N 315.373 0.587 10 10 DCCE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1O 1455075787 BPZSMOXPAQVPOD-SNVBAGLBSA-N 323.349 0.176 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](O)[C@H](C)C(=O)O)CC2)cc1 1858168717 YHCTYWQEIDGQBA-FZMZJTMJSA-N 322.361 0.425 10 10 DCCE Cc1cc(NS(=O)(=O)C[C@@H](C)N)ccc1NS(C)(=O)=O 2152940113 LWRVZXQZMFXJDH-SECBINFHSA-N 321.424 0.455 10 10 DCCE NCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2014963237 WYDDUDJPHZAYIC-RYUDHWBXSA-N 301.184 0.840 10 10 DCCE NCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)cc1Br 704703265 RSRGTEHCTBDNMW-PHIMTYICSA-N 315.211 0.945 10 10 DCCE CNC1CC(S(=O)(=O)NCCc2ccc(O)c(O)c2)C1 2173366610 KDFWIHULKWSOQP-UHFFFAOYSA-N 300.380 0.310 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)CN3CCOCC3)c2n1 2062486488 REIZVWMNVWHKMF-LLVKDONJSA-N 319.365 0.194 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3C(=O)N(C)C)c2n1 2063248166 HZMROKVDXOYVCT-NSHDSACASA-N 317.349 0.436 10 10 DCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@H]3O)cc1Br 2308770704 DYLYVNAMXHHRER-WTFGDDLMSA-N 313.195 0.838 10 10 DCCE COC[C@H](C)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366929141 XJCPXOKJJDQEEZ-VIFPVBQESA-N 301.364 0.821 10 10 DCCE COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1C 251899812 WHLUOMVTGDYVMS-ZWNOBZJWSA-N 312.391 0.840 10 10 DCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOCC1=O 279882249 GDAPPMCFWZILRS-UHFFFAOYSA-N 319.405 0.960 10 10 DCCE CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1F 900434832 SPIKEWIBDBGZJG-BLLLJJGKSA-N 309.385 0.963 10 10 DCCE Cc1noc(CN(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)n1 848712193 GKUJXUDQIYIDHJ-UHFFFAOYSA-N 318.293 0.457 10 10 DCCE COc1ncncc1/C=C1\SC(N2CCOCC2)=NC1=O 843270355 YKMWSVVIRCKIGM-POHAHGRESA-N 306.347 0.788 10 10 DCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccccc1O 1445969658 JFOLPJYPYFIWJH-GFCCVEGCSA-N 300.380 0.582 10 10 DCCE CC1=NNC(=O)[C@@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 1628270040 MUJGFMCUSFRNGZ-USEMIUTHSA-N 303.318 0.739 10 10 DCCE COc1ccc(-n2nnnc2CNC/C=C/CNC(C)=O)cc1 1497512134 MMICIFMLJLYOMV-ONEGZZNKSA-N 316.365 0.453 10 10 DCCE C[C@@H]([C@H](C)C(=O)NCc1ccc(O)cc1O)S(C)(=O)=O 1630302119 RKUVVOFVFXXIMV-IUCAKERBSA-N 301.364 0.783 10 10 DCCE COC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1639309778 AOVVTFBQYOECLT-LBPRGKRZSA-N 322.361 0.204 10 10 DCCE CC[C@H](N)Cc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2155361919 XGFLHNBZWVZHGY-LURJTMIESA-N 313.408 0.356 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC2CC3(C2)OCCO3)cc1 2071736860 POYVDKRNBVQAJP-UHFFFAOYSA-N 312.391 0.841 10 10 DCCE CC(C)(C)OC(=O)N1C[C@]2(COc3nnc(=N)[nH]n3)C[C@@]2(C)C1 2210646069 KURUWJJVWBRNMF-KBPBESRZSA-N 322.369 0.705 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(=O)n(-c2ccccc2F)n1 808532300 RMWHGLIKJHYRKX-UHFFFAOYSA-N 318.260 0.687 10 10 DCCE C[S@](=O)(=NC(=O)c1ccc(O)c(O)c1)N1CCOCC1 2167404070 RKIOMMHUUONHGV-FQEVSTJZSA-N 300.336 0.583 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](O)C(C)(C)O)C2)cc1 912292621 NJVWHDSCQRPIPR-FZMZJTMJSA-N 308.378 0.522 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 844430898 HKOFTGAGWHEFFV-DFFLPILJSA-N 321.446 0.574 10 10 DCCE CCN1C[C@H](S(=O)(=O)NCc2c(O)cccc2F)CC1=O 921451906 YKGNJIIWTKFIPH-SECBINFHSA-N 316.354 0.572 10 10 DCCE COC(=O)c1cnc(Sc2cc(=O)n(C)c(=O)n2C)s1 853651403 CJHFZMDAHSPOFU-UHFFFAOYSA-N 313.360 0.478 10 10 DCCE COCc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n(C)n1 853805691 ZVIQMLKSAVUPIB-SECBINFHSA-N 320.349 0.734 10 10 DCCE O=C(NCc1ccc(N2CCOCC2)cc1)NCC1COC1 1118860228 RHSMRVNQEABHQQ-UHFFFAOYSA-N 305.378 0.969 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC2CC1(CN)C2 1118511367 URUCHNPMJQMVDR-UHFFFAOYSA-N 303.362 0.300 10 10 DCCE C[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 711677204 YTDLVIPBANKDBS-JOYOIKCWSA-N 318.420 0.121 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(S(N)(=O)=O)CC1 1157102016 HKQRCVPRNFFTKS-UHFFFAOYSA-N 319.379 0.315 10 10 DCCE CO[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCOC1 1327812086 GTFCPKCAQKSTGC-GWCFXTLKSA-N 307.350 0.375 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2ccno2)CC1 1588221580 OCRNVRVEYXIRDM-UHFFFAOYSA-N 317.345 0.973 10 10 DCCE CO[C@H](C)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 2161343336 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DCCE Cn1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1=O 783642838 SMOWIJHGLJYQNV-UHFFFAOYSA-N 303.270 0.836 10 10 DCCE C[C@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1ccccc1O 1347189728 FBHSOPKPEKQOCJ-JTQLQIEISA-N 313.375 0.631 10 10 DCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCS(=O)(=O)C1 1912166543 YQDHXTRMHVYZTO-MWLCHTKSSA-N 303.388 0.345 10 10 DCCE CN(CCCN=[N+]=[N-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1912188379 PAPYQCAUEDNDLC-JTQLQIEISA-N 303.388 0.817 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC(CN2CCOCC2)C1 1637543454 KVQDOBCMSNHSOF-UHFFFAOYSA-N 306.362 0.431 10 10 DCCE CCNS(=O)(=O)CCN[C@@H](C)c1ccc(OC)cc1O 230666876 RTBWCHIOBRZUNB-JTQLQIEISA-N 302.396 0.991 10 10 DCCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]3CO)c(Br)cc21 2031692631 ZPPYLINNCPKFPZ-KSBSHMNSSA-N 312.167 0.972 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@]2(F)CCCNC2)cc1 2191636204 WSZHJRHXLAWBRQ-ZDUSSCGKSA-N 301.387 0.780 10 10 DCCE CSc1ncc(CNC(=O)[C@H]2Cc3nc[nH]c3CN2)s1 2284640371 YDQCIEKFZDSBRU-SECBINFHSA-N 309.420 0.919 10 10 DCCE COCCCS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 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COCCN(CCF)Cc1cc(O)n2ncc(C(=O)O)c2n1 1350006075 KXFWRGXVDPOKKM-UHFFFAOYSA-N 312.301 0.551 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCN(CCS(=O)(=O)N2CCOCC2)C1 1912190900 KYBUIEBKHLGKQA-NSHDSACASA-N 303.388 0.281 10 10 DCCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1 1542430149 HMIKVSORMDLUTQ-CYBMUJFWSA-N 312.341 0.822 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC2CC(CNCCO)C2)cc1 1733959593 FLYZDBMKABAXGZ-UHFFFAOYSA-N 319.365 0.939 10 10 DCCE CS(=O)(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1650928786 CKWZWPXEABHPGX-MRVPVSSYSA-N 317.338 0.886 10 10 DCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H](C)C(=O)OC 49063418 SPSKZKJRBPKGKL-JTQLQIEISA-N 300.380 0.982 10 10 DCCE C[C@@H](NC(=O)NCCOc1ccc(N)cc1)S(C)(=O)=O 2203031536 FQEGWAOJWQINDV-VIFPVBQESA-N 301.368 0.337 10 10 DCCE CN(C)c1ccc(CN(C(=O)CCNC(=O)CO)C2CC2)cc1 905955278 HBQPCTXUNGTRNP-UHFFFAOYSA-N 319.405 0.742 10 10 DCCE CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852899676 BQOMDXMCZGXRFP-BXUZGUMPSA-N 321.377 0.281 10 10 DCCE O=C(C(=O)N1C[C@H]2[C@H](C1)C2(F)F)N1Cc2cccc(O)c2C1 1118957794 PXJKDNCCGVLQHI-QWRGUYRKSA-N 308.284 0.958 10 10 DCCE Cn1nnc2c1C[C@@H](C(=O)NCc1ccc(O)cc1O)CC2 1162277661 ANCDUPJTFIZTNY-VIFPVBQESA-N 302.334 0.648 10 10 DCCE CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1466790976 NPPPZSOAAOESKE-RNCFNFMXSA-N 309.366 0.838 10 10 DCCE COc1cccc(O)c1CN[C@@H](C)CS(=O)(=O)N(C)C 1967713151 KAIGVISVQKVWBC-JTQLQIEISA-N 302.396 0.770 10 10 DCCE COC(=O)[C@]1(NCCN=[N+]=[N-])C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161136509 VBAWDJLKMCAOIU-JZYVYDRUSA-N 302.356 0.253 10 10 DCCE CN(C)c1ccc(CNS(=O)(=O)N(C)CC(=O)O)cc1 2161513375 JAURXASDYMRCEK-UHFFFAOYSA-N 301.368 0.103 10 10 DCCE C[C@H](CS(C)(=O)=O)N(C)c1ccc(CO)c([N+](=O)[O-])c1 2188576661 ILMNFDHIHFOJTN-SECBINFHSA-N 302.352 0.956 10 10 DCCE Nc1ccc(CCn2c(O)nnc(Br)c2=O)cc1 2054752868 UQHBDRZQLLHGDV-UHFFFAOYSA-N 311.139 0.931 10 10 DCCE CSc1ncc(CN=c2[nH]c(NN)ncc2[N+](=O)[O-])s1 2284713157 PAOOAOYGXQTGEI-UHFFFAOYSA-N 313.368 0.883 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)cc1 74689070 CJZVBHSCPBLPFP-HNNXBMFYSA-N 317.389 0.965 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1 70490837 VNOAMKYURSGKSP-KGLIPLIRSA-N 314.407 0.871 10 10 DCCE CN(C(=O)c1cn(C)nc1[C@H]1CCCNC1)c1ccn(C)n1 333639350 WZGOPALNGMFAHB-NSHDSACASA-N 302.382 0.897 10 10 DCCE COc1ccc(CNC(=O)NCC[C@@]2(O)CCOC2)c(O)c1 845454359 FQSWYJZGGADTHZ-OAHLLOKOSA-N 310.350 0.742 10 10 DCCE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O 1118871798 KKHQRHHWOXNTKV-QWHCGFSZSA-N 305.378 0.607 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCc2c(O)cccc2F)nn1 1303875752 NQDWIWUOPSMFOH-SECBINFHSA-N 308.313 0.824 10 10 DCCE C[C@@H](O)CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1332053732 LFMSIOTYKHZHLD-SNVBAGLBSA-N 304.346 0.606 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(COC2)C1 1330352148 GWEHOOGWPXUUPY-UHFFFAOYSA-N 304.346 0.600 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)cc1 1457243504 KJUCGPIFGBQNAC-VXGBXAGGSA-N 320.349 0.912 10 10 DCCE 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324.400 0.965 10 10 DCCE Oc1cccc(F)c1CNC(=S)NCCN1CCOCC1 905659794 CKMCBMLPNQJXJL-UHFFFAOYSA-N 313.398 0.828 10 10 DCCE CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)O 927936438 SSVZSHJWFJDQJC-LBPRGKRZSA-N 321.377 0.596 10 10 DCCE COC[C@@](C)(CC(=O)OC)NC(=O)Cc1ccc(O)c(O)c1 1137046057 FTOVWHTZOHRJTP-OAHLLOKOSA-N 311.334 0.725 10 10 DCCE O=C(CNC(=O)NCc1ccco1)NCc1c(O)cccc1O 1304051042 SPNBBEKYEGKJAS-UHFFFAOYSA-N 319.317 0.806 10 10 DCCE C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCS(=O)(=O)C1 1306826479 IDADRGIDMBPUMR-QMMMGPOBSA-N 317.338 0.744 10 10 DCCE COc1ccc(-n2nnnc2CNCCN(C)C(C)=O)cc1 1317561392 XXHUFDIWYSHFHS-UHFFFAOYSA-N 304.354 0.239 10 10 DCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCS(=O)(=O)[C@@H](C)C1 1912187585 KZRFGYBSUUPPCN-GXSJLCMTSA-N 304.372 0.785 10 10 DCCE NCc1ccc(N2CC(CO)(CO)C2)cc1Br 1914971470 UUXFAPQUAHDSRZ-UHFFFAOYSA-N 301.184 0.699 10 10 DCCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)C[C@H]1CO 1466964392 UWTQKVWMALHHSI-IUCAKERBSA-N 309.343 0.880 10 10 DCCE CS(=O)(=O)N1CC[C@@H](CNCc2ccc(F)cc2O)C1 293742817 XKKADDNQAVJWHA-JTQLQIEISA-N 302.371 0.902 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 2207459985 INXZOWHSNHHFIS-UWVGGRQHSA-N 300.336 0.191 10 10 DCCE CCCCN1C(=O)C(=CNCCCN(C)C)C(=O)NC1=S 2296252563 CSSMKNKOQZRWSV-UHFFFAOYSA-N 312.439 0.455 10 10 DCCE COc1ccc(N2CCN(C(=O)Cn3ccnn3)CC2)cc1F 177273671 DQBXMLACDGRIPU-UHFFFAOYSA-N 319.340 0.775 10 10 DCCE CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 876506420 JXCUMUCACIXSHJ-JKSUJKDBSA-N 318.421 0.880 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2nc[nH]n2)CC1 1469573851 MQTGVWYHOIHQCI-UHFFFAOYSA-N 303.322 0.107 10 10 DCCE NC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1584573738 DKGXXBWOINEJSU-LLVKDONJSA-N 307.350 0.690 10 10 DCCE COc1cccc(CNC(=O)Cc2ccc(C(N)=O)nc2)c1O 1595800490 WVFPJMCDDSBNJB-UHFFFAOYSA-N 315.329 0.754 10 10 DCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1Br 316267209 GVLJGNJJBHWJGT-ZWNOBZJWSA-N 315.211 0.958 10 10 DCCE C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCOc1ccc(N)cc1 385270509 SLTIVUPTJFQVJL-PWSUYJOCSA-N 300.380 0.433 10 10 DCCE CSc1ncc(CNC(=O)N[C@@]2(C(=O)O)CCOC2)s1 2284544746 SIBUYFPQDADNOC-NSHDSACASA-N 317.392 0.908 10 10 DCCE COc1ccc2nc(O)c(C=C3C(=O)NC(=O)NC3=O)cc2c1 59402523 DVWWTWZLMLFZRA-UHFFFAOYSA-N 313.269 0.698 10 10 DCCE COc1cc2c(cc1OC)[C@@](O)(CN1CCNCC1)CN2C 527416489 NBUCISLEFXSCKS-INIZCTEOSA-N 307.394 0.246 10 10 DCCE Cc1cc(O)c(CNC[C@H](O)CS(C)(=O)=O)c(Cl)c1 922822478 GUMZZDPYJOUJRB-VIFPVBQESA-N 307.799 0.849 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3CS(=O)(=O)C3)C2)cc1 869229185 SSKFEJVIDSVKOQ-LBPRGKRZSA-N 324.402 0.435 10 10 DCCE CN(C[C@H](O)C1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332058927 CBZKTZWDPJQGDK-AWEZNQCLSA-N 304.346 0.464 10 10 DCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)CN1CCO 1469150536 KWNSGTLAPNVDEU-RYUDHWBXSA-N 308.378 0.554 10 10 DCCE Oc1ccc(Cl)cc1CN1C[C@@H](O)[C@H](N2CCOCC2)C1 1614302287 CMDPBHJTJNDNQL-UKRRQHHQSA-N 312.797 0.923 10 10 DCCE CS(=O)(=O)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1545290020 UCCIGGAERMVBGL-UHFFFAOYSA-N 313.375 0.581 10 10 DCCE C[C@@]1(NS(=O)(=O)CCOc2ccc(N)cc2)CCOC1 161600943 DMEBJPTVVQHKNZ-CYBMUJFWSA-N 300.380 0.746 10 10 DCCE CS(=O)(=O)[C@@H]1CCC[C@@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160817355 ISENHXFDECOXKA-KOLCDFICSA-N 303.388 0.488 10 10 DCCE O=C(N[C@H]1CCCS(=O)(=O)C1)c1cc(O)c(O)c(O)c1 2188868406 QNGDBLCIKRDHMJ-QMMMGPOBSA-N 301.320 0.110 10 10 DCCE C[C@H](CO)CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2183504730 GKHGMUQETHQCBK-SECBINFHSA-N 322.408 0.428 10 10 DCCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046520291 HTTJXBIWQRWPOF-KLHWPWHYSA-N 318.167 0.099 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2201032383 GKDNQCITPYNUML-ULTHFGNCSA-N 300.786 0.523 10 10 DCCE CC[C@H](O)CN1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 179484994 BNUULDFMINHAIA-LBPRGKRZSA-N 308.378 0.935 10 10 DCCE O=C(O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(O)c(O)c1 126365746 MNQQLSVLNKNVDO-SNVBAGLBSA-N 315.347 0.172 10 10 DCCE C[C@H](CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[S@@](C)=O 229812098 HRCHVUTYDDFRNL-IQWQQKMBSA-N 314.407 0.241 10 10 DCCE COc1cc2c(cc1OC)N1CC[S@](=O)C[C@H]1CC(=O)N2 252956391 KEEGWPZZHWJSNU-BTKVJGODSA-N 310.375 0.983 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 808506634 OCYCXUGZYDOBDI-VIFPVBQESA-N 316.306 0.689 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 811428205 LJRZXNVDWRBNEI-LLVKDONJSA-N 317.313 0.893 10 10 DCCE CC(=O)C(=O)[C@]1(O)[C@H](NC(=O)OC(C)(C)C)COC1(C)C 1901295382 LYWZSUKVDJZMQU-YMTOWFKASA-N 301.339 0.578 10 10 DCCE C[C@H]1CO[C@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261856769 OPZPMTYAWGKSAY-WDEREUQCSA-N 304.346 0.870 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 1351474541 QTLNYBKVZGOVEZ-NILFDRSVSA-N 318.373 0.722 10 10 DCCE CN(C)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 1290337289 LTVGIIOCXMGVIU-GQCTYLIASA-N 319.405 0.817 10 10 DCCE CN1C(C)(C)[C@](O)([C@H](N)c2ccccc2O)CS1(=O)=O 1920280973 KSQUUDPHKSZDND-DGCLKSJQSA-N 300.380 0.177 10 10 DCCE CNC(=O)NCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1491474204 SEXBYGFBAIHOJI-GFCCVEGCSA-N 322.409 0.527 10 10 DCCE NC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCOCC1 1635019107 LDEWWXZLJFMYIR-LBPRGKRZSA-N 322.361 0.427 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CC[C@H](CO)C2)cc1 167581257 LEBDYBZIBLMKPC-NSHDSACASA-N 300.380 0.292 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@H](O)C2CC2)cc1 70490883 VNLWNPAJHSYXMG-ZDUSSCGKSA-N 300.380 0.338 10 10 DCCE C[C@H](COc1nnc(=N)[nH]n1)CC1CN(C(=O)OC(C)(C)C)C1 2212361170 VKSXTRCWUNZOLX-VIFPVBQESA-N 324.385 0.951 10 10 DCCE O=S1(=O)CCNC[C@H]1CCNCc1cc(F)ccc1O 903967634 DRZXYOUGASEZLG-GFCCVEGCSA-N 302.371 0.398 10 10 DCCE NC(=O)COc1cccn(CCOc2ccc(N)cc2)c1=O 57879096 XWIYRQAPNCQSFX-UHFFFAOYSA-N 303.318 0.374 10 10 DCCE C[C@@]12CN(C(=O)c3c(F)ccc(O)c3O)C[C@@]1(C)C(=O)NC2=O 1611620141 CRJOHOVOCYLOCL-GJZGRUSLSA-N 322.292 0.362 10 10 DCCE CC[C@@]1(C)NC(=O)N(NC(=O)Cc2ccc(O)c(O)c2)C1=O 1618559964 FTNSXOYIWWLWFP-CQSZACIVSA-N 307.306 0.392 10 10 DCCE O=C(C[C@H]1CCCS1(=O)=O)NCCc1ccc(O)c(O)c1 1630335224 NEAUCDZZQUGGJK-LLVKDONJSA-N 313.375 0.724 10 10 DCCE COCCS(=O)(=O)CCNCc1cc(OC)ccc1O 2204670136 ZNGHYEBTOATTKP-UHFFFAOYSA-N 303.380 0.552 10 10 DCCE O=C1N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N2CCOC[C@H]12 93884782 RTKXYQCEEVZZQN-MWLCHTKSSA-N 313.697 0.783 10 10 DCCE Nc1ccc(CCNC(=O)N2CCN(C3CC3)C(=O)C2)cc1 841957488 BVFYTRYMIYIDBR-UHFFFAOYSA-N 302.378 0.828 10 10 DCCE COc1cccc(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c1O 845834072 QGKXLGTYICWYCC-TVPBPMQISA-N 316.357 0.932 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CNCCO3)C2)cc1 852843873 IVLDBPFHIDZRRC-CZUORRHYSA-N 319.405 0.769 10 10 DCCE CS(=O)(=O)C[C@@H](O)CNCc1ccc(N2CCCC2)cc1 1119615429 WKYIZWACCXYSMA-HNNXBMFYSA-N 312.435 0.782 10 10 DCCE COc1cc(O)c(CN(C)C2CS(=O)(=O)C2)cc1OC 895396774 CDBIDWBLWZGGTQ-UHFFFAOYSA-N 301.364 0.638 10 10 DCCE COc1ccc([C@@H](C)NCCN(C)S(C)(=O)=O)c(O)c1 692521098 BRKWYMWUOHEJMZ-SNVBAGLBSA-N 302.396 0.943 10 10 DCCE O=C(CCNC(=O)Cc1ccc(O)c(O)c1)N=c1cc[nH]cc1 1626762392 BJRCWRAYMNSRFA-UHFFFAOYSA-N 315.329 0.602 10 10 DCCE C[C@@H](NCc1ccc(O)c(O)c1O)[C@H]1CCS(=O)(=O)C1 2146122986 YDAZCLYITGFCOA-SCZZXKLOSA-N 301.364 0.716 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701322450 ALBKBVAVZZIWDS-NXEZZACHSA-N 301.372 0.712 10 10 DCCE C[C@@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(F)c1 2176153259 JSWKXQIIMBJEQG-SECBINFHSA-N 300.355 0.618 10 10 DCCE C[S@](=O)(CC1CNC1)=NS(=O)(=O)Cc1ccc(N)cc1 2191783662 DZSHSXPBMHRRMU-IBGZPJMESA-N 317.436 0.416 10 10 DCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@H](C)O)cc1Cl 2233865066 FUCRGYAMBQJAGH-IYMWITQMSA-N 301.770 0.950 10 10 DCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2289407546 SKLVXFQNABALCG-UVJIQFMESA-N 300.786 0.510 10 10 DCCE NS(=O)(=O)CCCNCc1ccc(N2CCOCC2)cc1 45067721 ZSLVKRYVMOQQOY-UHFFFAOYSA-N 313.423 0.291 10 10 DCCE CC(C)CNS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366932726 PUGRVMHDAIFRRD-UHFFFAOYSA-N 300.380 0.946 10 10 DCCE NC(=O)CCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255865955 XEBVJOAUPJGFLO-YVMONPNESA-N 317.389 0.918 10 10 DCCE C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 918838599 KBMKKCBGAXUMDK-QGZUEGPWSA-N 303.406 0.992 10 10 DCCE CCS(=O)(=O)N[C@@H](C)C(=O)NCc1c(O)cccc1F 928705292 FVMSRNMJWNLITG-QMMMGPOBSA-N 304.343 0.475 10 10 DCCE Cc1nc(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n[nH]1 1164291850 OZOYDIJLZICKDR-UHFFFAOYSA-N 317.349 0.795 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)c1cn([C@@H]2CC[C@H]2O)nn1 1622664283 OCKZRLRLHUNUBL-GHMZBOCLSA-N 304.306 0.315 10 10 DCCE CNC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1634458861 ZVZMCAGNGAZNLS-NSHDSACASA-N 307.350 0.560 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCc2nnnn2CC1 1643033935 MARGPSAJDVEAJW-JTQLQIEISA-N 303.322 0.148 10 10 DCCE CN1CCC(N(C)C(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857879175 XINYPBIWRPZGOU-UHFFFAOYSA-N 315.381 0.411 10 10 DCCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](N)CO 1951535683 MTJIIRPHHMVLBW-QWRGUYRKSA-N 312.366 0.853 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)c1cc(F)ccc1O 697273316 LXHGZDLEONZLKB-RLCGTCKNSA-N 303.355 0.994 10 10 DCCE O=S1(=O)CCN(Cc2ccc(Cl)cc2O)C2(CNC2)C1 2183499832 MRWYFUZTUQOWKJ-UHFFFAOYSA-N 316.810 0.618 10 10 DCCE COc1ccc(Br)c(CNC(C)(CO)CO)c1O 2220461754 ARAZBDNMSAQINT-UHFFFAOYSA-N 320.183 0.996 10 10 DCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2249555458 VLRLIKCVSKOKIH-RYUDHWBXSA-N 301.184 0.840 10 10 DCCE NC(=O)CCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505316 XEBVJOAUPJGFLO-UHFFFAOYSA-N 317.389 0.918 10 10 DCCE Cn1cc(C[C@H](O)C(=O)NCc2cc(Cl)ccc2O)cn1 846473567 NGONUEBZEGAGJA-ZDUSSCGKSA-N 309.753 0.999 10 10 DCCE CC(=O)C(=O)COC(=O)Cc1c(Br)cnn1C 885240587 NCPYATYRBZHORX-UHFFFAOYSA-N 303.112 0.426 10 10 DCCE COc1cccc(CNC(=O)[C@@H]2CCc3nnc(O)n3C2)c1O 1150543956 VTBFLLYBMHAHJG-SNVBAGLBSA-N 318.333 0.577 10 10 DCCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nnc(O)n1C 1300074937 UMQJLUOGBYVWKS-HORMHSFOSA-N 304.306 0.823 10 10 DCCE O=C(NCc1cc(O)ccc1O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1303226220 ZJOGYHWOMZCTLR-NFFDBFGFSA-N 319.313 0.435 10 10 DCCE CCOC(=O)[C@@H](C)NC(=O)CCN1C(=O)CSC1=S 1865765715 KBEOAHCYWCASBU-SSDOTTSWSA-N 304.393 0.305 10 10 DCCE CC1=NNC(=O)[C@H]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 1628270037 MUJGFMCUSFRNGZ-MZBZXASESA-N 303.318 0.739 10 10 DCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1cccc(O)c1O 1558162267 XQEMUHXWHWBOAV-UHFFFAOYSA-N 318.333 0.109 10 10 DCCE CN(CC(=O)O)c1ccc2c(c1)CCC(=O)N2CCC(N)=O 259509248 ROBKFWKFJGRICH-UHFFFAOYSA-N 305.334 0.362 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1C(=O)O 697002898 QONAUOGSIGSATQ-UWVGGRQHSA-N 300.336 0.191 10 10 DCCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Br 386984243 NNMWXKABXKCMFL-AOOOYVTPSA-N 324.178 0.617 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1cnc(O)s1 2174087737 OZDFFWDIYNXLSE-UHFFFAOYSA-N 316.360 0.781 10 10 DCCE C[S@@](=O)CCCNS(=O)(=O)CCOc1ccc(N)cc1 229177564 RVSGCVJICASFPS-LJQANCHMSA-N 320.436 0.336 10 10 DCCE CO[C@@H]1COCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 312458623 YNXGIECWJZFUDQ-QWHCGFSZSA-N 300.380 0.492 10 10 DCCE CS(=O)(=O)CCCS(=O)(=O)CCc1ccc(N)cc1 319507425 YTQYEYBDLMVMQA-UHFFFAOYSA-N 305.421 0.661 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2nnnn2C)c1 772090560 SSTQHMKCVGSDCF-VIFPVBQESA-N 320.353 0.527 10 10 DCCE CCOc1ccc(C(=O)NCC(=O)OCC(=O)C(C)=O)cc1 808498354 QHOWFISSHWDFCG-UHFFFAOYSA-N 307.302 0.516 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)cccc1F 928708681 PXLAOHXARWKYGQ-LBPRGKRZSA-N 318.370 0.721 10 10 DCCE C[C@@H]1C(=O)N(NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)N1C 1301132517 HQQIBWXYFWKKNZ-SSDOTTSWSA-N 318.293 0.776 10 10 DCCE CO[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCS(=O)(=O)C1 1339019446 VPJASLSJNPVRKP-CQSZACIVSA-N 311.359 0.438 10 10 DCCE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC(N=[N+]=[N-])C1 1912172610 VIAOVMMTJNENKR-VIFPVBQESA-N 321.428 0.569 10 10 DCCE CSc1ncc(CNC(=O)N2C[C@H](O)C[C@H]2C(=O)O)s1 2284510192 ZHZCRYNWIQBPEH-SVRRBLITSA-N 317.392 0.594 10 10 DCCE O=C1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CN1 194813034 ALMHXHSSGBKQHW-GFCCVEGCSA-N 321.352 0.415 10 10 DCCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCNC(=O)CO 910558194 MEBJFVJNGWCXGN-CYBMUJFWSA-N 321.421 0.607 10 10 DCCE C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1cc(F)cc(F)c1O 927029080 YXMNDEOBPCGLAJ-IONNQARKSA-N 309.334 0.727 10 10 DCCE Nc1ccc(Cc2n[nH]c(C[C@H]3CCS(=O)(=O)C3)n2)cc1 82753131 BVNWAPRLTBNONC-LLVKDONJSA-N 306.391 0.955 10 10 DCCE Cc1cc(N(C)C)ccc1CN1CC(O)(c2ncnn2C)C1 895616882 RJULLPCZABALCY-UHFFFAOYSA-N 301.394 0.893 10 10 DCCE C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC(=O)NC1 798780173 LCCWHHCSVIUPGS-HNNXBMFYSA-N 307.302 0.740 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(N)=O)[nH]1 1296246071 KCVYBNGCWFBILR-MRVPVSSYSA-N 303.318 0.886 10 10 DCCE COc1cc(CNCCNC(C)=O)ccc1N1CCOCC1 212685181 YUOYJMGLZBSOMH-UHFFFAOYSA-N 307.394 0.758 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cnn(C)n1 1638348622 VSSBASJKVLKEBS-JTQLQIEISA-N 304.350 0.906 10 10 DCCE NCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)cc1Br 704699710 RSRGTEHCTBDNMW-QWRGUYRKSA-N 315.211 0.945 10 10 DCCE C[C@H]([C@@](C)(O)[C@@H](N)c1ccc(N(C)C)cc1)S(C)(=O)=O 2170629022 BNBSQHMWTJEZJR-DDTOSNHZSA-N 300.424 0.937 10 10 DCCE COC(=O)c1nc(NN(C)S(C)(=O)=O)sc1C(C)=O 2339779784 RTMWDCNAVCJEKE-UHFFFAOYSA-N 307.353 0.351 10 10 DCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H](N)CCS(C)(=O)=O 37826521 PYUOQASWGFIJAH-CMPLNLGQSA-N 314.407 0.674 10 10 DCCE CN(C[C@H](O)COc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 252371707 CSEQSYRACZQNDE-STQMWFEESA-N 314.407 0.127 10 10 DCCE CN1CCOC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 925313663 PAYXUKQJFGTXMS-ZDUSSCGKSA-N 319.361 0.487 10 10 DCCE Cn1ncc(C(=O)NCc2c(O)cccc2O)c1-n1cnnc1 1156885443 FFAICBJKVJQEMA-UHFFFAOYSA-N 314.305 0.342 10 10 DCCE CC(C)(O)C1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332056106 CSSBMULKHFDLBC-UHFFFAOYSA-N 304.346 0.464 10 10 DCCE COC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)[C@@H]1CCOC1 1653864383 JXWUUTFIUBWKLO-KOLCDFICSA-N 309.318 0.653 10 10 DCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1COCCO1 2159993189 SWXYWNWDTDXBEN-ZWNOBZJWSA-N 300.380 0.492 10 10 DCCE COC[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 70490817 VNDPNDVNUGYDFA-LLVKDONJSA-N 302.396 0.850 10 10 DCCE CO[C@H]1C[C@@H](CO)N(S(=O)(=O)Cc2ccc(N)cc2)C1 312446268 COXHGXQAKSXRIF-STQMWFEESA-N 300.380 0.180 10 10 DCCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Cl 2234098596 UUBIAPLTLYBEMN-FZQKWOKYSA-N 300.786 0.654 10 10 DCCE CSc1ncc(CNS(=O)(=O)N2CCNC[C@H]2C)s1 2269091471 XSRWGPSKTLLBGG-MRVPVSSYSA-N 322.481 0.493 10 10 DCCE CSc1ncc(CNC(=O)N[C@]2(C(=O)O)CCOC2)s1 2284544745 SIBUYFPQDADNOC-LLVKDONJSA-N 317.392 0.908 10 10 DCCE COC(=O)CCc1nc(NN(C)S(C)(=O)=O)sc1C 2339731336 YTJPZDMWJLQIBG-UHFFFAOYSA-N 307.397 0.775 10 10 DCCE O=C(NCCCN1CCOCC1)Nc1cc(O)c(O)c(O)c1 217278757 UBYJILNZEUXFLD-UHFFFAOYSA-N 311.338 0.647 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 808502607 MPZCLKYKUPIITR-UHFFFAOYSA-N 318.260 0.687 10 10 DCCE CC(=O)C(=O)COC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 808492456 VHHPCIXEFSCGFZ-UHFFFAOYSA-N 324.333 0.285 10 10 DCCE O=C(CCC(=O)N1CCC(O)CC1)NCc1c(O)cccc1O 1156881335 ZBVQWYFCGXTYCF-UHFFFAOYSA-N 322.361 0.478 10 10 DCCE Cn1nnc(C(=O)NCc2cccc(Br)c2O)n1 1634725222 SUDPXXRJKPTQTA-UHFFFAOYSA-N 312.127 0.608 10 10 DCCE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cccc(Cl)c1O 1648605867 CCECDXGMQIQWOT-UHFFFAOYSA-N 311.685 0.862 10 10 DCCE CN(CCNC(=O)c1cc(O)cs1)CCS(C)(=O)=O 1651246456 LVCDIQNDAPYWGI-UHFFFAOYSA-N 306.409 0.160 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)cc1F 711284413 JCFCWWPLYDRKLX-QWHCGFSZSA-N 302.371 0.533 10 10 DCCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)S(C)(=O)=O 697600182 DXWZWZBWYUCIAO-VIFPVBQESA-N 306.409 0.121 10 10 DCCE CN([C@H](CN)C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 2191761903 WUODCTZBDHGSLF-SNVBAGLBSA-N 311.329 0.920 10 10 DCCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 2234176072 HZZXIGJQIRDPKR-VHSXEESVSA-N 322.412 0.714 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H]2CCO[C@@H]2C(=O)O)s1 2284544140 MIDLIJMXUCGQCB-SFYZADRCSA-N 317.392 0.906 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 808517720 LAQABQSTOZPPSJ-UHFFFAOYSA-N 315.285 0.286 10 10 DCCE Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c1O 841456005 BVBVZDCDNBFIQE-RYUDHWBXSA-N 308.378 0.933 10 10 DCCE CN(C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 848613171 FDJWMNHSLNEIMR-OTVXOJSOSA-N 318.421 0.384 10 10 DCCE COc1cccc([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)c1O 927025977 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10 10 DCCE C[C@@H](O)c1ccc(N(C)C2CS(=O)(=O)C2)c([N+](=O)[O-])c1 2152234221 QVCOFUOEVKTWTF-MRVPVSSYSA-N 300.336 0.881 10 10 DCCE COc1cc(Cl)cc(CN2CC(CO)(C(=O)O)C2)c1O 2201045452 QNHGREVDAZVYSU-UHFFFAOYSA-N 301.726 0.933 10 10 DCCE COC(=O)CN(C)S(=O)(=O)NCc1cccc(C)c1O 2204610274 NHHOYNDRUWMWKH-UHFFFAOYSA-N 302.352 0.140 10 10 DCCE C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)CCN1CCO 2310376985 OTQHDAFOMPHSSI-GFCCVEGCSA-N 306.362 0.636 10 10 DCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)N1C(=O)CSCC1=O 128374697 CUUBLQRBLIQLMP-QMMMGPOBSA-N 311.315 0.196 10 10 DCCE CCNC(=O)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 70490714 ZADVHUVOIOXFET-UHFFFAOYSA-N 315.395 0.045 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 808539973 KXVUQIHURWPCOE-OLZOCXBDSA-N 323.345 0.129 10 10 DCCE O=C1C[C@]2(CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)CN1 788382909 HUGABQHMUAGCQG-CZUORRHYSA-N 304.346 0.530 10 10 DCCE COc1cccc(O)c1CN1CC[C@@H](NS(C)(=O)=O)C1 769456518 KLTYNSVNBDQMFN-SNVBAGLBSA-N 300.380 0.524 10 10 DCCE CCOC(=O)c1c[nH][nH]c1=NC(=O)c1cc(O)c(O)c(O)c1 1865876573 SYKOGRMAMVOLAR-UHFFFAOYSA-N 307.262 0.377 10 10 DCCE CC(C)[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879132 VTYJZTXXVZUXSK-SNVBAGLBSA-N 304.310 0.084 10 10 DCCE Cc1[nH]nc(CO)c1S(=O)(=O)Nc1ccc(O)c(F)c1 2157760363 VUIKHSGQECBGMR-UHFFFAOYSA-N 301.299 0.856 10 10 DCCE Nc1ccc(OC[C@@H](O)CN2CCCC3(C2)OCCO3)cc1 316710288 DCQIFGXCZJCMJZ-AWEZNQCLSA-N 308.378 0.847 10 10 DCCE CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2177266754 LKXHCXLYFQJJNS-STQMWFEESA-N 300.380 0.444 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCC(=O)N(C)C3)c2n1 2062249707 NLLXZIRYZAPERI-SNVBAGLBSA-N 317.349 0.436 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)C(C)(C)O)s1 2284556906 MLJWXRGUFACRBQ-ZETCQYMHSA-N 319.408 0.888 10 10 DCCE COCCN(C)C[C@H](O)CNCc1cnc(SC)s1 2269196739 FQVZRZWNQCPXTJ-SNVBAGLBSA-N 305.469 0.894 10 10 DCCE CC(C)N1C(=O)C(=CNCc2cccnc2)C(=O)NC1=S 2296944769 JBKMBONTSLHIMP-UHFFFAOYSA-N 304.375 0.707 10 10 DCCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(CCO)CC1)C(=O)C2=O 33514244 YRHPAQAKHZOKRX-SJORKVTESA-N 322.405 0.087 10 10 DCCE C[S@](=O)CCCNC(=O)c1ccn(-c2ccc(N)cc2)n1 229170402 BDXJMJPGLKKXEF-NRFANRHFSA-N 306.391 0.953 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2COC2)c1 863353635 HLXWEVOKMNPMHO-UHFFFAOYSA-N 300.336 0.140 10 10 DCCE O=C1C[C@@H](S(=O)(=O)NCc2ccccc2O)CN1C1CC1 866830903 ZTZHQQOHNWGDRI-GFCCVEGCSA-N 310.375 0.575 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 861776728 MAHYBCZRTHXONH-LSDHHAIUSA-N 317.389 0.611 10 10 DCCE COC[C@@H](CCNC(=O)C(=O)NCCc1ccc(N)cc1)OC 1327843371 WCIOUGKHUUDKBU-CQSZACIVSA-N 323.393 0.095 10 10 DCCE O=C(NCCN1C(=O)CSC1=O)c1c(F)ccc(O)c1O 1457549954 DSNBXPKZIJOVIU-UHFFFAOYSA-N 314.294 0.662 10 10 DCCE O=C(NCc1c(O)cccc1O)c1cn(C(F)(F)CO)nn1 1472063539 MDCKKWFPRVMVDC-UHFFFAOYSA-N 314.248 0.161 10 10 DCCE CS(=O)(=O)[C@@H]1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160817356 ISENHXFDECOXKA-MWLCHTKSSA-N 303.388 0.488 10 10 DCCE NCc1cc(F)c(N2CC3(C2)OC[C@H](O)[C@@H]3O)cc1Cl 2183626542 JBERIFLXMCVUSJ-RYUDHWBXSA-N 302.733 0.249 10 10 DCCE C[C@H]1C[C@H](COc2nnc(=N)[nH]n2)CN(C(=O)OC(C)(C)C)C1 2210643100 GXXBWYDYZVRZNQ-UWVGGRQHSA-N 324.385 0.951 10 10 DCCE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1c(C)cc(O)cc1C 2239737534 VHZHPYCMCLDDCR-VXGBXAGGSA-N 300.380 0.738 10 10 DCCE CC(C)(CNC(=O)COc1ccc(N)cc1)NS(C)(=O)=O 111778158 FAVUASJGWKIINZ-UHFFFAOYSA-N 315.395 0.092 10 10 DCCE CNC(=O)NC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 859491391 AVHZKSDQMYCJGD-OAHLLOKOSA-N 306.410 0.882 10 10 DCCE COC(=O)[C@@]1(OC)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 863298575 ZVCYJFMDCRYZOJ-CZUORRHYSA-N 323.345 0.582 10 10 DCCE O=C(C(=O)N1C[C@H]2C[C@H](O)C[C@H]1C2)N1Cc2cccc(O)c2C1 1330537512 RCJBAFRAESBIPS-RTXFEEFZSA-N 316.357 0.606 10 10 DCCE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CCC[C@H](O)C2)CC1 1912193009 LNKIEJJEWSCGOG-NSHDSACASA-N 303.388 0.710 10 10 DCCE CO[C@@H](C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1522536850 LYZAFWNGHPICKM-VIFPVBQESA-N 321.337 0.730 10 10 DCCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1640904444 QENFJGJPIGBXRW-RISCZKNCSA-N 306.322 0.807 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@@H]1CCCNC1 2148007972 MWTWPKQKNKNJJR-LLVKDONJSA-N 300.380 0.312 10 10 DCCE CNCc1ccc(N(C)CCN(C)S(C)(=O)=O)c(F)c1 2146932613 FQGXUZAHPNZGRM-UHFFFAOYSA-N 303.403 0.873 10 10 DCCE NCc1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 1998331368 PMMRCMGZKKXRHA-GHMZBOCLSA-N 301.184 0.840 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)c2n1 2062115807 HQWSIODXRGXDTN-SECBINFHSA-N 315.333 0.236 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1cc(F)cc(F)c1O 2207457281 HGFRPDHOKLUKCZ-MNOVXSKESA-N 307.318 0.572 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Cl 2234097030 MSGUFWYEKVCTLP-CUOATXAZSA-N 301.770 0.688 10 10 DCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)NCc1cnc(SC)s1 2269089269 AWYFJQIOALXFSQ-BDAKNGLRSA-N 323.465 0.271 10 10 DCCE COc1ccc(O)c([C@@H](C)NCC2(O)CS(=O)(=O)C2)c1 2283076768 RZPFLWXDKRBMHB-SECBINFHSA-N 301.364 0.211 10 10 DCCE 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CN(Nc1nc(CCC(=O)O)cs1)S(=O)(=O)C1CC1 2339722622 KNADZUNWNWYSGC-UHFFFAOYSA-N 305.381 0.911 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 170245281 ZKCPEWFECNBBHV-ONGXEEELSA-N 313.375 0.580 10 10 DCCE CN(C)C[C@@H]1C[C@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 97245134 JUFNOFRBRUUMLO-KBPBESRZSA-N 313.423 0.095 10 10 DCCE C[S@](=O)CCC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 722445352 NUDJWWCJZVLUDX-OCCQLPPTSA-N 319.448 0.526 10 10 DCCE Cc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c(O)c1O 834565334 SZKLDWPDXVIHHD-INIZCTEOSA-N 308.378 0.935 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 2179616944 DBMLCHBSYJOKKP-VHSXEESVSA-N 301.372 0.064 10 10 DCCE COc1nn(C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O 789558620 RLSGIDPUMZDWFE-UHFFFAOYSA-N 318.333 0.731 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)CN2CCOCC2=O)c1 790651227 STBZARCXBPPFEP-JTQLQIEISA-N 308.334 0.437 10 10 DCCE O=C(CCN1C(=O)CSC1=S)NCCCn1ccnc1 1865765047 NQFJDSJNTWXSIE-UHFFFAOYSA-N 312.420 0.640 10 10 DCCE O=C(NCc1c(O)cccc1O)C1CN(C2CCOCC2)C1 1639292808 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CN(C)c1ccc([C@@H](CNc2nc(N)nc(N)n2)N(C)C)cc1 1164317745 GZYKDCCPNHESJY-GFCCVEGCSA-N 316.413 0.817 10 10 DCCE C[C@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccc(N)cc1)C2 1327487365 UNSMXWSPJSLHSJ-DYVFJYSZSA-N 317.389 0.422 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCCO2)cc1C 1283733183 KQOQDAIPLABJEP-ZBFHGGJFSA-N 322.405 0.749 10 10 DCCE CN1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1463837580 UOQYKDXUTDCTKQ-UHFFFAOYSA-N 318.381 0.826 10 10 DCCE CNC(=O)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1567083772 SMEABAWPKFNDJF-SECBINFHSA-N 320.353 0.303 10 10 DCCE CNC(=O)CN1C(=O)CCc2cc(N3CCNCC3)ccc21 259332940 DEZUCCCMNSELJZ-UHFFFAOYSA-N 302.378 0.121 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1CCS(=O)(=O)N1CCOCC1 2179616625 CELZODCPMQRLJO-LLVKDONJSA-N 303.388 0.423 10 10 DCCE C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(O)c(O)c(O)c1 2188874376 GWMMBJOVVHMYRG-SSDOTTSWSA-N 303.336 0.309 10 10 DCCE CN1CCCc2cc(CNC(=O)CN3CC(=O)NC3=O)ccc21 111586847 LPUAKJRQCOLMSC-UHFFFAOYSA-N 316.361 0.237 10 10 DCCE 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0.416 10 10 DCCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)cc1Cl 2289405703 YMQWWNYTRXXJIZ-WAYYCVMKSA-N 300.786 0.510 10 10 DCCE N[C@](CO)(C(=O)O)c1ccc(I)cc1O 238592200 FPCBAJWPOPXGEM-VIFPVBQESA-N 323.086 0.228 10 10 DCCE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1 268584057 UGOZZAJSKAGVGY-GFCCVEGCSA-N 306.366 0.995 10 10 DCCE COc1ccc(N2CC[C@@H](NS(=O)(=O)N3CCC3)C2)cc1 849416480 AQMVGRQVMZBISV-GFCCVEGCSA-N 311.407 0.814 10 10 DCCE C[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1ccccc1O 866556015 PITOGDKYYQOPEB-WBMJQRKESA-N 306.362 0.671 10 10 DCCE Nc1n[nH]c(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 1254333375 VRCZDXCDMSGHFB-UHFFFAOYSA-N 315.381 0.987 10 10 DCCE O=C1CC2(CCN(C(=O)c3c(F)ccc(O)c3O)CC2)CN1 1457686894 ZRENIOHSHNDZRZ-UHFFFAOYSA-N 308.309 0.979 10 10 DCCE CC(C)(CCS(C)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 1629064651 FWNRPQANCWFTQM-UHFFFAOYSA-N 315.391 0.970 10 10 DCCE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCN=[N+]=[N-] 1962288421 WASNYFRJOOPBFZ-CYBMUJFWSA-N 315.374 0.885 10 10 DCCE 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O=C(NCC(=O)N1CCOCC1)NCc1c(O)cccc1F 921821974 NBRJVTASBOZRSS-UHFFFAOYSA-N 311.313 0.189 10 10 DCCE CCOc1cccc(CN2CCn3nnc(CO)c3C2)c1O 894802378 CJEGDVZUDKOGKM-UHFFFAOYSA-N 304.350 0.891 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Cn2ccnn2)C1 1146976550 AOLKGDAEMNAQRP-GFCCVEGCSA-N 302.334 0.781 10 10 DCCE O=C(CNC(=O)Cc1ccc(O)c(O)c1)NCc1ccco1 1541101144 LMVCHLUCSLCGCO-UHFFFAOYSA-N 304.302 0.666 10 10 DCCE Cn1ccn2c(CCNC(=O)c3cc(O)cs3)nnc2c1=O 1644862666 CKDMBUFBRFAKQM-UHFFFAOYSA-N 319.346 0.168 10 10 DCCE CS(=O)(=O)Cc1noc(CN2CC[C@H](CN=[N+]=[N-])C2)n1 2169817668 BDSOLEPKOUJUIL-MRVPVSSYSA-N 300.344 0.746 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CC[C@@H](O)C2)ccc1O 2236169242 XBMSQOMXOTUVPN-MRVPVSSYSA-N 303.296 0.024 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NC(=O)C1CCNCC1 170245446 CMTDWMKWYAGFLA-SNVBAGLBSA-N 306.362 0.919 10 10 DCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc[nH]n1 819696706 AQVMPIYZXPVQHO-UHFFFAOYSA-N 304.306 0.716 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1 855233304 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TWHYRNUWXJULRC-ZBFHGGJFSA-N 308.378 0.278 10 10 DCCE COCCNC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1587099111 YEEFCSPCQKIVGM-UHFFFAOYSA-N 324.358 0.805 10 10 DCCE C[C@@H]1C[C@@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 2143960657 OYSUFXUEADULCP-SCZZXKLOSA-N 301.364 0.859 10 10 DCCE COc1ccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)N2)c(O)c1 2146201023 PUJMVEUPYLXEAI-ZJUUUORDSA-N 300.380 0.743 10 10 DCCE CNCc1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1Cl 2146327580 YPGKBAYKVRCADZ-KGLIPLIRSA-N 300.786 0.618 10 10 DCCE CN(CCOC(=O)COc1ccc(N)cc1)S(C)(=O)=O 707569979 FPFHUHIIANQWIU-UHFFFAOYSA-N 302.352 0.082 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)[C@H](C)O)s1 2269118055 DQDOPHMWEWRTDV-CAHLUQPWSA-N 305.381 0.498 10 10 DCCE COCCN(CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1O 174160744 XSNMQQVOJBTXBJ-UHFFFAOYSA-N 311.338 0.837 10 10 DCCE CCNC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 272552020 BBERMLOCHBQDFA-JTQLQIEISA-N 307.350 0.940 10 10 DCCE CCNC(=O)C1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 839138498 MZRJOUIJWWTNLB-UHFFFAOYSA-N 309.322 0.877 10 10 DCCE O=S1(=O)CC[C@]2(CN(Cc3cc(F)ccc3O)CCO2)C1 843426332 SYHPPQPRTRUWFL-AWEZNQCLSA-N 315.366 0.921 10 10 DCCE Cc1ccc(C(=O)N2CCn3nnc(CO)c3C2)c(O)c1O 854570453 MBKLGJIOGMHLSF-UHFFFAOYSA-N 304.306 0.146 10 10 DCCE O=C(NCCO)c1ccc(N2Cc3cccc(O)c3C2)nn1 866117347 LPECCGYPHLSEIH-UHFFFAOYSA-N 300.318 0.425 10 10 DCCE O=C1C[C@@H](CCN2C(=O)CN(Cc3ccccc3O)C2=O)CN1 1119623824 FTUKPUUEWCWNMH-LLVKDONJSA-N 317.345 0.683 10 10 DCCE Cn1ncc([C@H](NCCN=[N+]=[N-])C(N)=O)c1Br 712451123 UPBIAOHQCWSMTK-LURJTMIESA-N 302.136 0.609 10 10 DCCE CN(CCCS(C)(=O)=O)S(=O)(=O)Cc1ccc(N)cc1 694207153 LPWGZIWFDCCVQT-UHFFFAOYSA-N 320.436 0.465 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCNC12CCC2 1335253382 FUGPMZTYWDZADC-AWEZNQCLSA-N 317.389 0.751 10 10 DCCE CN(CCCN=[N+]=[N-])CC(=O)N[C@]1(C)CCS(=O)(=O)C1 1912171835 AJUQJBMXRVXDMQ-LLVKDONJSA-N 303.388 0.312 10 10 DCCE CN(Cc1ccccc1O)C(=O)c1c[nH]nc1S(N)(=O)=O 1465842809 CLRUPJYVODGAKZ-UHFFFAOYSA-N 310.335 0.035 10 10 DCCE COc1ccc(-n2nnnc2CNC[C@H](C)NC(C)=O)cc1 1498001604 CKZUBEIIXISDAD-JTQLQIEISA-N 304.354 0.285 10 10 DCCE CN(CC(CO)CO)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2150413783 BHSORWGBJAHKRV-LBPRGKRZSA-N 300.742 0.363 10 10 DCCE O=C1C[C@]2(NC(=O)Cc3ccc(O)c(O)c3)CCCC[C@@H]2N1 1653503940 ZXAIUAPMRJITEM-XJKSGUPXSA-N 304.346 0.958 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCN1CCNCC1 170245157 ALIXOCMSQLRNLT-LBPRGKRZSA-N 307.394 0.298 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1NC(=O)NC1=O 120500008 VWKVHQJUXBOUCK-LBPRGKRZSA-N 304.350 0.309 10 10 DCCE CON1CC[C@@H](n2cc(COc3ccc(N)cc3)nn2)C1=O 905841010 VKPDCNHPDOMJIH-CYBMUJFWSA-N 303.322 0.774 10 10 DCCE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCS1(=O)=O 1304017995 AMVGSEYEZBQAPN-KOLCDFICSA-N 313.375 0.722 10 10 DCCE CN(CC(C)(C)S(C)(=O)=O)C(=O)Cc1ccc(O)c(O)c1 1176884874 HUZMXUYZLNKPDO-UHFFFAOYSA-N 315.391 0.922 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(Cl)cc1O 1621432927 DMINPPPHOZRURI-PWSUYJOCSA-N 305.783 0.947 10 10 DCCE CN(C)C(=O)N[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1299246661 LRXPIPRKQJERDE-LBPRGKRZSA-N 321.377 0.903 10 10 DCCE CC1(CS(=O)(=O)NCCOc2ccc(N)cc2)COC1 2287166375 WHIWYWNPFVRGPV-UHFFFAOYSA-N 300.380 0.604 10 10 DCCE CCc1ncc(S(=O)(=O)NCCOc2ccc(N)cc2)[nH]1 70418411 KYXRYBIJQOVRME-UHFFFAOYSA-N 310.379 0.912 10 10 DCCE CCS(=O)(=O)N1CC(CNCc2cccc(OC)c2O)C1 190282944 IPMNPJYNHAHTSM-UHFFFAOYSA-N 314.407 0.772 10 10 DCCE C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)NC(=O)[C@H]21 247981915 XMGNGLMBBGJQNT-RZGXBDKHSA-N 324.720 0.422 10 10 DCCE CC(=O)C(=O)CN1C(=O)N[C@]2(C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)C1=O 377193341 RLFFMIGDBARMED-VZTWBHMWSA-N 304.346 0.891 10 10 DCCE COc1ccc(-c2noc(=O)n2CC(=O)C(C)=O)cc1OC 808022136 ZMXYOJPWIKQDTN-UHFFFAOYSA-N 306.274 0.679 10 10 DCCE COc1ccc(-n2nnnc2CN(C)[C@H](C)CNC(C)=O)cc1 1282347000 YNHREJPXRHIIES-LLVKDONJSA-N 318.381 0.627 10 10 DCCE COc1ccc(CNCCC[C@H](C)NC(=O)C(N)=O)cc1C 1725404866 YCIORGSAVUAUAR-LBPRGKRZSA-N 307.394 0.863 10 10 DCCE C[C@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)[S@@](C)=O 164990596 UEXOMUSYJABZSH-UZJPJQLHSA-N 306.391 0.951 10 10 DCCE COc1ccc(O)c(CN[C@H](C)CS(=O)(=O)N(C)C)c1 1967714038 VYPQSWVOQDQMLM-SNVBAGLBSA-N 302.396 0.770 10 10 DCCE C[C@@H](O)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1Cl 2146323195 IZVFGEZGMYFHMW-IIMNLJJBSA-N 301.770 0.952 10 10 DCCE CN(Cc1cccc(F)c1O)[C@H]1CCN(S(C)(=O)=O)C1 292718596 DYDIATYPBBXYFH-NSHDSACASA-N 302.371 0.997 10 10 DCCE COCC(COC)N(C)S(=O)(=O)Cc1ccc(N)cc1 701662712 DJPPCGKRTHVMIH-UHFFFAOYSA-N 302.396 0.692 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)N(C)C[C@@H]3C)c2n1 2063411446 LKICFWKZLVGLED-MNOVXSKESA-N 303.366 0.908 10 10 DCCE COCn1nccc1S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2174003853 XQARFRJIWWXWPQ-VIFPVBQESA-N 300.344 0.808 10 10 DCCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2046520494 HTTJXBIWQRWPOF-SASUGWTJSA-N 318.167 0.099 10 10 DCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Br)c1 2084797067 GMQMIEBLRBKGOM-SRVKXCTJSA-N 320.158 0.821 10 10 DCCE CN(C)S(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2O)C1 2279282164 BGADJAYDCSWTLZ-LBPRGKRZSA-N 302.371 0.997 10 10 DCCE CP(C)(=O)C[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2360531242 JROVQAZYCZLDCU-SSDOTTSWSA-N 302.223 0.299 10 10 DCCE Cc1cc(O)ccc1NS(=O)(=O)N1CCS(=O)(=O)CC1 2163659650 NGNCDLSCLCDOMD-UHFFFAOYSA-N 320.392 0.088 10 10 DCCE CN(CCN1CCOCC1)C(=O)/C=C\c1ccc(O)c(O)c1 588408206 KOKOEUJHIMMOPA-HYXAFXHYSA-N 306.362 0.902 10 10 DCCE O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCN1 844174364 YCJJTUYMFRCDIT-MRXNPFEDSA-N 303.406 0.873 10 10 DCCE O=C(CN1CCCCS1(=O)=O)N1Cc2cccc(O)c2C1 881428038 BNIKJHCALAYCAD-UHFFFAOYSA-N 310.375 0.660 10 10 DCCE COc1ccc(CNC(=O)c2cccnc2C(N)=O)c(O)c1 794380375 YOILNNYSAXDQBF-UHFFFAOYSA-N 301.302 0.825 10 10 DCCE CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)c1cc(O)cs1 1177866868 RHSITDGSAFSBHN-UHFFFAOYSA-N 319.346 0.467 10 10 DCCE C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CN1 1329116671 ULUMPWCLWZKASD-WCQYABFASA-N 305.378 0.607 10 10 DCCE C[C@@H]1OCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1351838746 TUCMWUHHOVSXSE-MNOVXSKESA-N 304.346 0.870 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)Cc1ccc(N)cc1 1985778306 ZCQKNSRBOXBKHV-ZDUSSCGKSA-N 323.393 0.813 10 10 DCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)[C@H](C)C(=O)OC 49063419 SPSKZKJRBPKGKL-SNVBAGLBSA-N 300.380 0.982 10 10 DCCE C[C@@H](NCCNS(=O)(=O)C(F)F)c1ccc(O)cc1O 2159558253 LBPZPJCSZYCIGT-SSDOTTSWSA-N 310.322 0.890 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1O 702988285 NKMHEFQUIFYBGT-UWVGGRQHSA-N 300.380 0.573 10 10 DCCE CNCc1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2176161120 INBXUYWXDXEQLY-UHFFFAOYSA-N 315.826 0.799 10 10 DCCE CCS(=O)(=O)N1CCN(Cc2c(O)cccc2F)CC1 1137838679 HEQIAEKJZADCTP-UHFFFAOYSA-N 302.371 0.999 10 10 DCCE O=C1c2c(O)cc(O)c(O)c2O[C@H](c2ccc(O)c(O)c2)[C@H]1O 4096001 ZHPLPRUARZZBET-UONOGXRCSA-N 320.253 0.892 10 10 DCCE biogenic,in-vitro CCOc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 93531045 DAQJZIJRFLLMDN-LBPRGKRZSA-N 314.407 0.914 10 10 DCCE O=C1C[C@@H](S(=O)(=O)N2Cc3cccc(O)c3C2)CN1C1CC1 867690519 GPFJXVLPBOXSIF-GFCCVEGCSA-N 322.386 0.801 10 10 DCCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)c1 1312681111 VKJWLZMLKNPLIX-SNVBAGLBSA-N 306.322 0.130 10 10 DCCE O=C(NCCCn1ccc(O)nc1=O)NCc1ccccc1O 1479531427 DIKGPBFGXYFBNF-UHFFFAOYSA-N 318.333 0.544 10 10 DCCE CCOC(=O)CCN(C)C(=O)CCN1C(=O)CSC1=S 1865765873 OMZVBYYJKUDWQF-UHFFFAOYSA-N 318.420 0.648 10 10 DCCE CN(Cc1ccccc1O)C(=O)CCCn1c(O)nnc1O 1635658343 QYISILMSNQEBKV-UHFFFAOYSA-N 306.322 0.834 10 10 DCCE COC(=O)/C=C\c1ccc(N(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 1773522736 VTQGEZVPMTYOOY-QZPNVGJNSA-N 324.333 0.961 10 10 DCCE C[C@@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)c1ccccc1O 1686439501 LQRHXKALRLGVEQ-BDAKNGLRSA-N 306.322 0.383 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)cc1C 1690616930 SNVPZSOAHLJCJQ-AAEUAGOBSA-N 320.393 0.279 10 10 DCCE COc1ccc(Br)c(CNC[C@@H](O)[C@H](C)O)c1O 1965946190 GWGXHMRJPKKRLA-OIBJUYFYSA-N 320.183 0.995 10 10 DCCE O=S1(=O)C[C@@H]2NCCN(Cc3ccc(Cl)cc3O)[C@H]2C1 2146307514 ARTUBXUHOOPOIF-RYUDHWBXSA-N 316.810 0.616 10 10 DCCE NCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)c(Br)c1 386936434 GOWGSJOCJBHTKH-IUCAKERBSA-N 324.178 0.617 10 10 DCCE COC1(OC)CC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2191782336 SMFSSVCIMIMRGV-LBPRGKRZSA-N 300.380 0.840 10 10 DCCE COc1cccc(CNC(=O)N[C@H]2CCc3ncnn3C2)c1O 175124229 DZHSRAANRRAJEK-NSHDSACASA-N 317.349 0.807 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)COC3(C)CNC3)C2)cc1 851640163 RMALJVXJGNVPQZ-ZDUSSCGKSA-N 319.405 0.769 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2CSC2)c1 854873058 YZBKDBKXRVBCOD-UHFFFAOYSA-N 316.404 0.857 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)c3nc(=N)cc[nH]3)C2)cc1 866018877 PZPGQKJJHHHHPJ-NSHDSACASA-N 313.361 0.906 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCS2(=O)=O)cc1 133873617 YXIXDUUOVCMAJV-LBPRGKRZSA-N 318.420 0.265 10 10 DCCE O=C1NCCn2c(CNCc3cccc(Cl)c3O)nnc21 1331566135 NAJOXVKQXGFSGE-UHFFFAOYSA-N 307.741 0.670 10 10 DCCE C[C@@H]1O[C@H](C)[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)[C@H]1C 1335245641 BZKUDYCZDDBRJG-UUIJZJDISA-N 319.405 0.856 10 10 DCCE CN(Cc1ccccc1O)C(=O)Cn1ncn2nccc2c1=O 1622312526 OTGZWDGACHNHTK-UHFFFAOYSA-N 313.317 0.255 10 10 DCCE O=C(NCc1c(O)cccc1F)[C@@H]1CCc2nnc(O)n2C1 1645050544 MTVNIFSEJBDGMQ-MRVPVSSYSA-N 306.297 0.707 10 10 DCCE CNCc1ccc(N2CC(O)(CO)C2)cc1Br 2004520849 GSQZFYCSDOXUDW-UHFFFAOYSA-N 301.184 0.712 10 10 DCCE COCCNCc1cnc(SC2=NC(=O)CC(=O)N2)s1 2155314840 VSBVPBTUUCJFQR-UHFFFAOYSA-N 314.392 0.374 10 10 DCCE C[C@@H](CNCc1c(O)cccc1Br)S(N)(=O)=O 706835372 XGGWKUDDNSUCML-ZETCQYMHSA-N 323.212 0.921 10 10 DCCE COC1(CNC(=O)c2cnn3c(O)cc(C)nc23)CCOCC1 2063148048 CVWFOAZDBHBTBP-UHFFFAOYSA-N 320.349 0.669 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)c2n1 2063460144 WECMWSPZOCDHIP-YVECIDJPSA-N 312.329 0.769 10 10 DCCE O=C(O)[C@]1(O)CCN(Cc2ccc(Cl)cc2O)C[C@@H]1O 2197469205 JZWJVVNFPUZECC-AAEUAGOBSA-N 301.726 0.428 10 10 DCCE OCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Br 2084799614 VIDGIOOOMUMNGU-SDDRHHMPSA-N 320.158 0.821 10 10 DCCE CC(=O)N(C(=O)N1CCC(C(N)=O)CC1)c1ccc(N)cc1 243427742 MXJHWZOAJDDFCU-UHFFFAOYSA-N 304.350 0.939 10 10 DCCE CC(=O)C(=O)COC(=O)Cn1ccc(Br)cc1=O 869867667 GKOQZRMRCDLYAG-UHFFFAOYSA-N 316.107 0.312 10 10 DCCE COC[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(N)cc1 58238263 KAKXOSCJOWQREA-SNVBAGLBSA-N 301.364 0.762 10 10 DCCE CCOc1ccc(O)c(CN2CC(O)(c3ncnn3C)C2)c1 895621063 RCKAHWIUYWYLRH-UHFFFAOYSA-N 304.350 0.623 10 10 DCCE NC(=O)[C@H](O)CNCc1cc(Cl)cc(Br)c1O 708097897 AHNIEMVPUWNNLA-MRVPVSSYSA-N 323.574 0.744 10 10 DCCE CC(=O)c1cn(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)nn1 1158905705 ORZLUJFCFZZAAH-UHFFFAOYSA-N 316.317 0.518 10 10 DCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])C1CCS(=O)(=O)CC1 1912204170 IZSJIRUWSCSITH-NSHDSACASA-N 304.372 0.643 10 10 DCCE CC(C)OCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2148015864 LSXFGQBTHNYMIA-UHFFFAOYSA-N 303.380 0.985 10 10 DCCE CS(=O)(=O)Cc1noc(CN2CCC[C@@H](N=[N+]=[N-])C2)n1 2169817709 BFYRVTROXKFGSR-MRVPVSSYSA-N 300.344 0.889 10 10 DCCE COC1(C(N)=O)CN(c2ccc(CO)cc2Br)C1 2042975883 ZZLTZBHOOBXCOY-UHFFFAOYSA-N 315.167 0.632 10 10 DCCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1COc1nnc(=N)[nH]n1 2210645827 HUKRRRCUGFXYNH-VHSXEESVSA-N 324.385 0.951 10 10 DCCE CC(C)CNS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 128334685 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COCCn1nc(C(=O)NCc2cc(O)ccc2O)ccc1=O 1593869904 YMHZNOSPYZBBCY-UHFFFAOYSA-N 319.317 0.231 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCS(=O)CC2)cc1 70490786 HXPGSQVRJPMEGI-UHFFFAOYSA-N 318.420 0.042 10 10 DCCE C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(O)ccc1O 400167534 JFPAJWZUWOPWAG-NXEZZACHSA-N 300.380 0.782 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(Br)c1 316205967 SCTXHVRCPSPZDN-JOYOIKCWSA-N 301.184 0.697 10 10 DCCE [N-]=[N+]=NCCCNC1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@H]2C1 2161108136 ZENHWMSKHVKVEI-RKDXNWHRSA-N 302.356 0.554 10 10 DCCE CCO[C@H]1COCC[C@@H]1NC(=O)c1cnn2c(O)cc(C)nc12 2063473852 VIPUGSUBONZFEE-RYUDHWBXSA-N 320.349 0.667 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@H]2C[C@@H](CO)C2)ccc1O 2236169055 VLRWMXLKPJBSPC-OTSSQURYSA-N 302.308 0.813 10 10 DCCE CN(C)CCNC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O 2296552790 WVOYDMZNAFIYEY-UHFFFAOYSA-N 308.382 0.433 10 10 DCCE COCCNC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 242557626 CDOSRMOWXPFDDX-UHFFFAOYSA-N 321.377 0.936 10 10 DCCE CC(C)(O)[C@H](O)C(=O)NCc1cccc(Br)c1O 907758060 LYBRHEWFNVWKPB-SNVBAGLBSA-N 318.167 0.903 10 10 DCCE CN(CCCNCc1ccc(O)c(O)c1O)S(C)(=O)=O 709601629 IUOFIPDLIIMGSI-UHFFFAOYSA-N 304.368 0.175 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(N)ccc1O 696851317 BUABXECGUBLMEX-AAEUAGOBSA-N 300.380 0.218 10 10 DCCE CN1CCN(c2ccc(CN[C@H]3C[C@H](C(N)=O)C3)cc2F)CC1 1331296320 IHXFZFKFKDBZII-HDJSIYSDSA-N 320.412 0.931 10 10 DCCE CC(C)CN(Cc1nn[nH]n1)C(=O)Cc1ccc(O)c(O)c1 1455323962 RZEUDCFNHVZSLQ-UHFFFAOYSA-N 305.338 0.838 10 10 DCCE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1557686215 ICKAJBAUFYCTRP-LBPRGKRZSA-N 321.377 0.855 10 10 DCCE COc1ccc(CNCCN(C)C(=O)Cc2nc[nH]n2)cc1C 1691549254 PDRPZVVQNVFRQU-UHFFFAOYSA-N 317.393 0.912 10 10 DCCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H]1CCOC1 165931386 QIADGHURRVHCOJ-VXGBXAGGSA-N 314.407 0.992 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3c(O)cccc3Cl)[C@@H]2C1 2143710941 BZZDUAASHVGTSK-VXGBXAGGSA-N 316.810 0.616 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c2n1 2062728735 QEMJQJCXWJZGIM-JLTPVHFHSA-N 310.379 0.582 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(F)c1Br 2043128365 CMCSLQOFQFXHQK-IUCAKERBSA-N 319.174 0.979 10 10 DCCE CC1(CNS(=O)(=O)CCOc2ccc(N)cc2)OCCO1 2071736310 CTYHNFFXCAFTQS-UHFFFAOYSA-N 316.379 0.330 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)CCC1CNC1 2199692616 KPJCKZPQFOFEPW-UHFFFAOYSA-N 301.324 0.652 10 10 DCCE NC(=O)c1c(NS(=O)(=O)c2ncc[nH]2)sc2c1CCC2 1190687215 XPALYTKKQKBVRD-UHFFFAOYSA-N 312.376 0.860 10 10 DCCE Cc1ccc(CNC[C@@H](N)C(N)=O)c(O)c1Br 2307572473 YIEIKNBTJBAMBI-MRVPVSSYSA-N 302.172 0.365 10 10 DCCE CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 127809185 UFICDCWCUCTJSB-CHWSQXEVSA-N 314.407 0.726 10 10 DCCE C[C@@H](NC(=O)[C@H]1COC(=O)N1)c1ccc(N2CCOCC2)cc1 822786613 UAWCDHPDKOFSEK-BXUZGUMPSA-N 319.361 0.809 10 10 DCCE COCCN1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1156880858 DWWAIZBKFXAYND-SNVBAGLBSA-N 308.334 0.209 10 10 DCCE CN1CCN(c2ccc(CNCCOCCCO)cc2)CC1 1327874138 APURCMAQDWPTIK-UHFFFAOYSA-N 307.438 0.927 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H](C)C1O 1333362644 AWEHMDCPCVHTNM-RYUDHWBXSA-N 320.389 0.826 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)c2nnc(O)nc2O)c1 1294938137 WLJVMRRYEHIDOC-ZCFIWIBFSA-N 306.278 0.488 10 10 DCCE COc1ccc(CNC(=O)N[C@@H](C)c2nnc(O)n2C)c(O)c1 1471397527 ZTKBHYZMOBLRKO-QMMMGPOBSA-N 321.337 0.795 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)CCNC(N)=O)cc1C 1491666420 YHJNVSUMCSAEGG-GFCCVEGCSA-N 322.409 0.656 10 10 DCCE CN1CCCN(CCCNC(=O)c2cccc(O)c2O)CC1 1632752296 DCPIJZHLDOFYAU-UHFFFAOYSA-N 307.394 0.855 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(N[C@H]2CCOC2)C1 1647773165 ONOWFOQXTMYYDM-KMOQFTEPSA-N 304.346 0.700 10 10 DCCE O=C(NCc1cccc(O)c1O)c1cn([C@@H]2CC[C@H]2O)nn1 1651175512 ARULXVLGJGCHFO-GHMZBOCLSA-N 304.306 0.315 10 10 DCCE NC(=O)COc1ccccc1C(=O)NCc1cccc(O)c1O 1593739277 JOPNOFLEJXEIKM-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCCN=[N+]=[N-] 1985094015 IUVKMDBBCNKMFU-UHFFFAOYSA-N 324.345 0.880 10 10 DCCE COCC[C@H](COC)NS(=O)(=O)Cc1ccc(N)cc1 383365071 GGHYEYPBASVSOV-CYBMUJFWSA-N 302.396 0.740 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCCN3CCCC3=O)c2n1 2062936888 OAZHQTRULMJLHI-UHFFFAOYSA-N 303.322 0.096 10 10 DCCE COCCNC=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296940850 YJSQGIYWNLUULS-UHFFFAOYSA-N 307.281 0.528 10 10 DCCE C[C@H](NC(=O)[C@H](O)C(C)(C)O)c1ccc(N2CCOCC2)cc1 900387052 PCVNGPOUYDXHES-WFASDCNBSA-N 322.405 0.832 10 10 DCCE COc1ccc(N2CC[C@H](NS(=O)(=O)N3CCC3)C2)cc1 849416481 AQMVGRQVMZBISV-LBPRGKRZSA-N 311.407 0.814 10 10 DCCE Cc1ccc([C@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c(O)c1 858569833 OALSRBCBOOMYSC-NSHDSACASA-N 313.423 0.842 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3C(=O)OC[C@H]3C2)cc1 860161085 QRUMPHIVTAFBJI-UKRRQHHQSA-N 317.389 0.474 10 10 DCCE O=C(C(=O)N1CC[C@]2(CCOC2)C1)N1Cc2cccc(O)c2C1 1118951276 VLASEHPLZDTXRM-KRWDZBQOSA-N 316.357 0.873 10 10 DCCE COC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 36336913 HUDLJSRZULHUJN-QMMMGPOBSA-N 300.336 0.184 10 10 DCCE CN(CCCCO)S(=O)(=O)CCOc1ccc(N)cc1 385039370 FLFKONPAGRNCND-UHFFFAOYSA-N 302.396 0.682 10 10 DCCE COC(=O)C1CN(S(=O)(=O)Nc2ccc(O)c(C)c2)C1 2164308226 GCRPDKBSHJANKZ-UHFFFAOYSA-N 300.336 0.462 10 10 DCCE CC(=O)N1CCC(NC(=O)c2cnn3c(O)cc(C)nc23)CC1 2062185602 BNXKGCZRPOPLPH-UHFFFAOYSA-N 317.349 0.484 10 10 DCCE COc1cccc(CNC(=O)[C@H]2CCn3ncnc3C2)c1O 2062276521 NANXRESPMZHIOH-JTQLQIEISA-N 302.334 0.871 10 10 DCCE C[C@H]([C@@](C)(O)[C@H](N)c1ccc(N(C)C)cc1)S(C)(=O)=O 2170629024 BNBSQHMWTJEZJR-LERXQTSPSA-N 300.424 0.937 10 10 DCCE CN1C(=O)NC(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O 2313526859 STNLWFTZZNXCPP-UHFFFAOYSA-N 318.289 0.752 10 10 DCCE CN(Nc1ncc(CC(=O)O)s1)S(=O)(=O)C1CCC1 2339723332 VVFXSUWUSKKLBP-UHFFFAOYSA-N 305.381 0.911 10 10 DCCE C[C@@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1ccc(F)cc1O 2358324473 CSZLBEIXEUFDAM-XTWCZFFVSA-N 303.355 0.994 10 10 DCCE C[C@H](CC[S@](C)=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 128506963 ASWZXASILUGLGA-IQWQQKMBSA-N 314.407 0.241 10 10 DCCE O=C1N[C@@H](C(=O)NCc2cc(Br)ccc2O)CO1 804735860 KEOSBNQWQBEHTB-MRVPVSSYSA-N 315.123 0.879 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N=c3nc[nH]n3C)C2)cc1 822086196 UPRWCVYJJPETNE-NSHDSACASA-N 316.365 0.646 10 10 DCCE CN(C)C(=O)C1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CC1 832284059 HELHEIFNIRRWCY-AWEZNQCLSA-N 318.421 0.737 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c1 845832305 BXWWBPJASRUWTD-BLXFPGOASA-N 316.357 0.932 10 10 DCCE COC[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849355844 BOCGHCANSUMBRT-JSGCOSHPSA-N 319.361 0.841 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C2)cc1 855222998 AOYAVBRPNGNNTK-VXGBXAGGSA-N 305.378 0.902 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCC2)cc1 795288838 DBEHXTOLQVUYPG-UHFFFAOYSA-N 305.381 0.421 10 10 DCCE NC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C1CCOCC1 1148862676 FAZYCKJYKOSVMK-LLVKDONJSA-N 308.334 0.498 10 10 DCCE COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nn[nH]n1 1303579868 IEXCVYRWDPNZGY-AZVKUDOFSA-N 305.294 0.128 10 10 DCCE Cc1cc(O)cc(=O)n1CCC(=O)NCc1cc(O)ccc1O 1176754526 FPHAKDZHXGMUGS-UHFFFAOYSA-N 318.329 0.980 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 1449076966 GZKUKSMSSNTVDE-CHWSQXEVSA-N 306.362 0.308 10 10 DCCE C[C@@H]1SC(=S)N(CCCCCC(=O)NCCO)C1=O 11636616 QXXNQVPPNOHJGT-VIFPVBQESA-N 304.437 0.904 10 10 DCCE C[C@H](C(N)=S)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091757316 YKVNENMXMRPUNP-SSDOTTSWSA-N 304.393 0.234 10 10 DCCE CN1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)O)cc2)C1=O 2294133970 OSONSPGJTZRWJG-UHFFFAOYSA-N 304.258 0.242 10 10 DCCE COc1ccc(N2CCN(CC(=O)NC(N)=O)CC2)cc1F 122036938 QBAWAXIINBVCTO-UHFFFAOYSA-N 310.329 0.151 10 10 DCCE Nc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCCCO2)c1 2364013064 XVDXVTIKVHTAAC-GFCCVEGCSA-N 300.380 0.963 10 10 DCCE CCNC(=O)CSc1nnc2nc(NCC)nc(NCC)n12 49513591 AVJAFVPJDSGDGP-UHFFFAOYSA-N 324.414 0.611 10 10 DCCE O=C1N[C@@H](c2cccc(Br)c2O)N2CCOC[C@@H]12 93885016 VNMXJTMBCTYYES-GXSJLCMTSA-N 313.151 0.984 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 808507872 JKQGEZQASRUVGL-LBPRGKRZSA-N 307.277 0.880 10 10 DCCE COC(=O)COCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227481 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CC(=O)C(=O)COC(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 808517830 ONXRNFDLFNFUAM-AWEZNQCLSA-N 316.313 0.912 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)c1 843832938 YVIDHLMVUZMAJX-LBPRGKRZSA-N 314.363 0.051 10 10 DCCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)C[C@H]1CCO 928508385 IJTKKMYWGKRRDS-MRVPVSSYSA-N 305.377 0.075 10 10 DCCE CN(C)c1cc(F)c(CNC[C@@H](O)CS(C)(=O)=O)cc1F 922821440 BOIFTBJFQVFEFL-SNVBAGLBSA-N 322.377 0.526 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CC=C[C@@H]2CO)cc1F 1334484395 LQQLEDLULKLTAT-GFCCVEGCSA-N 321.352 0.267 10 10 DCCE CCNC[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1507569289 SXHNGBWWTKACRX-LBPRGKRZSA-N 307.354 0.891 10 10 DCCE Cc1nn(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(=O)o1 1466790752 KZSHHEQPMAXOFA-QMMMGPOBSA-N 307.306 0.303 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c(O)ncnc1O 1611431528 PJZQGVQJTQLUHP-MRVPVSSYSA-N 319.317 0.589 10 10 DCCE COCC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1704005031 GVJSZXPABFWAFR-VIFPVBQESA-N 321.337 0.730 10 10 DCCE CNS(=O)(=O)NCC(=O)NCc1c(O)ccc2ccccc12 1639387980 UCDTVYUWSKMJNC-UHFFFAOYSA-N 323.374 0.215 10 10 DCCE Cc1cc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c(C)cc1O 2145852567 ATKLXBJHCFAEQV-JTQLQIEISA-N 319.404 0.938 10 10 DCCE CS(=O)(=O)C1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 2152281851 VZGLGUUPGKOAMN-NSHDSACASA-N 316.766 0.559 10 10 DCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1COCCO1 2159993187 SWXYWNWDTDXBEN-MFKMUULPSA-N 300.380 0.492 10 10 DCCE O=C(O)[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1O 701726226 TXXGVJCLHJUUSF-JTQLQIEISA-N 300.336 0.276 10 10 DCCE [N-]=[N+]=NCC1CCN(S(=O)(=O)N2CCC[C@@H]2CO)CC1 2161836315 PUMFRXGKZBXUQW-LLVKDONJSA-N 303.388 0.710 10 10 DCCE Oc1cccc(Br)c1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046517705 BCHLKGRJUXUJDH-QTKMDUPCSA-N 318.167 0.099 10 10 DCCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1O 2108827982 IDGLRIKVBDXNGO-RBLKWDMZSA-N 308.161 0.644 10 10 DCCE COc1ccc(Br)c(CNCc2nn[nH]n2)c1O 2220461830 BXLBVAZLHLOUEY-UHFFFAOYSA-N 314.143 0.966 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)C1CC2(C1)OCCO2 2252842053 AQZHYZZNCJSXGZ-SECBINFHSA-N 302.356 0.996 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCC(OCCO)CC2)cc1 128753619 BKVWTZORIJHMAB-UHFFFAOYSA-N 314.407 0.572 10 10 DCCE CC(=O)N1CCCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 42614161 FKYJADREJRKFDX-UHFFFAOYSA-N 311.407 0.653 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)C(=S)N1CCOCC1 256030210 KVGICRQYZWOUMB-UHFFFAOYSA-N 310.375 0.416 10 10 DCCE COC(=O)c1cnc(SC[C@@H](O)CN2CCOCC2)s1 834383758 VPGIAXAJPQZVMT-VIFPVBQESA-N 318.420 0.715 10 10 DCCE O=C(NCc1ccccc1O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860235088 XAMYJZROLXMHIH-NFFDBFGFSA-N 303.314 0.729 10 10 DCCE O=C(CCCN1C(=O)CNC1=O)NCc1cc(O)ccc1O 1303223652 YVYABUWIHNMAHM-UHFFFAOYSA-N 307.306 0.046 10 10 DCCE O=C(NCc1cc(O)ccc1O)c1cnn2c(=O)cc[nH]c12 1303225908 RRRPFVMYEWXUEE-UHFFFAOYSA-N 300.274 0.364 10 10 DCCE CN(C)c1ccc(CNC(=O)N2C[C@@H](CO)[C@@H](CCO)C2)cc1 1527382140 DGEGWGZWDDZHTI-GJZGRUSLSA-N 321.421 0.885 10 10 DCCE Cc1cc2nccc(NC(=O)C3=S=C([N+](=O)[O-])C=C3)n2n1 1534075160 RAJHMCYJVMIVHK-UHFFFAOYSA-N 303.303 0.858 10 10 DCCE O=C(CN1CCCCC(=O)C1=O)NCc1ccc(O)cc1O 1557085481 NGTYTLOQORBWBC-UHFFFAOYSA-N 306.318 0.296 10 10 DCCE COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1cccc(O)c1O 1640250167 FVVOUEXBHAXZJM-HNNXBMFYSA-N 319.317 0.656 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@H]2C[C@H](N)C2)cc1 2150854929 YPNZXORRNMNHJQ-JLIMDTESSA-N 319.408 0.290 10 10 DCCE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1ccc(O)c(O)c1 2151089460 BAPQSRPDEFALHB-MRVPVSSYSA-N 302.352 0.108 10 10 DCCE Nc1ccc(OC[C@H](O)CN2CC[C@H](C3OCCO3)C2)cc1 2089609526 PWMOYVYEFKZBEW-GXTWGEPZSA-N 308.378 0.703 10 10 DCCE CCOC(=O)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236167963 LXOGWMJWOBBARP-UHFFFAOYSA-N 304.280 0.605 10 10 DCCE CN(C)CCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2296925762 YYGIURPVCUWUHO-UHFFFAOYSA-N 316.361 0.300 10 10 DCCE C[P@@]1(=O)C[C@@H](O)[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2355682076 GJLYZRYCCKEHPV-CLUVUEOHSA-N 318.335 0.424 10 10 DCCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 2167086359 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CN(Cc1ccccc1O)C(=O)NCCCS(N)(=O)=O 1686913937 JLUOCVJAIULNOT-UHFFFAOYSA-N 301.368 0.212 10 10 DCCE C[C@H]1SC(=S)N(CCCCCC(=O)NCCO)C1=O 11636617 QXXNQVPPNOHJGT-SECBINFHSA-N 304.437 0.904 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H](O)CCO2)cc1 2154220156 IBHDJSUUBKPRSA-STQMWFEESA-N 300.380 0.228 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2CC(C(=O)O)=NO2)s1 2269085542 HDJFRTPQNBSMCR-ZETCQYMHSA-N 301.349 0.711 10 10 DCCE COc1cc(C(=O)OCC(=O)C(C)=O)cc(NC(C)=O)c1OC 808521786 DJKSKHPKXVXKIE-UHFFFAOYSA-N 323.301 0.977 10 10 DCCE C[C@@H](NCC1(S(N)(=O)=O)CCC1)c1cc(O)ccc1O 721570012 ZCFBSOGUUGVOKG-SECBINFHSA-N 300.380 0.960 10 10 DCCE Cc1cc(Cl)cc(CN2CCN(CC(N)=O)C(=O)C2)c1O 839170619 PQXAQJUURLLTTK-UHFFFAOYSA-N 311.769 0.484 10 10 DCCE CN1CC(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 853824782 QMWBAMKLFBYJJH-UHFFFAOYSA-N 306.322 0.924 10 10 DCCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)N1CCOCC1 1135458835 CXEPOQDFVAYJCO-UHFFFAOYSA-N 308.378 0.867 10 10 DCCE CCc1nnc(S)n1CCNC(=O)Cc1ccc(O)c(O)c1 1543982025 NOLFFYIKNFRAPI-UHFFFAOYSA-N 322.390 0.899 10 10 DCCE CNC(=O)C1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 1772917632 PFWUSBOMVPWQII-XQRVVYSFSA-N 319.317 0.963 10 10 DCCE CS[C@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2140651781 UYTASGGKBCAXOA-RYUDHWBXSA-N 301.437 0.392 10 10 DCCE CCOC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169902552 CQCPMERJJHUPHO-UHFFFAOYSA-N 310.306 0.718 10 10 DCCE CNCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865979929 MCYAHGFJVOTBEV-OAHLLOKOSA-N 301.394 0.911 10 10 DCCE C[C@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1O 2151045537 VZQOBLQQAZESCR-JTQLQIEISA-N 301.412 0.740 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@H](C)N(C)C3CC3)c2n1 2063503861 CNEHPVYASLBBMQ-JTQLQIEISA-N 303.366 0.956 10 10 DCCE C[C@@H]1CCc2c(sc(NS(=O)(=O)CCO)c2C(N)=O)C1 2174915099 IIQJNAHJYPYQPD-SSDOTTSWSA-N 318.420 0.706 10 10 DCCE Nc1ccc(CS(=O)(=O)NC2CC([C@H](F)CO)C2)cc1 2199112800 BYRWDWKBQHTWNV-KGPNIALWSA-N 302.371 0.797 10 10 DCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Br 2042553988 DYLYVNAMXHHRER-NZBQSGDWSA-N 313.195 0.838 10 10 DCCE CSc1ncc(CNCC[C@@H]2CS(=O)(=O)CCN2)s1 2269312750 JJDXWCNMCQLSEL-SECBINFHSA-N 321.493 0.731 10 10 DCCE CSc1ncc(CNC(=O)NC[C@@H](O)CCC(=O)O)s1 2284543005 CMZBIZQOASXMMM-ZETCQYMHSA-N 319.408 0.890 10 10 DCCE O=C1N[C@H](c2cccc(Br)c2O)N2CCOC[C@H]12 93885015 VNMXJTMBCTYYES-KOLCDFICSA-N 313.151 0.984 10 10 DCCE O=C(NCc1ccccc1O)c1cn([C@H]2CCCNC2)nn1 818214062 ONNFSNHODLOLHZ-LBPRGKRZSA-N 301.350 0.838 10 10 DCCE CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2O)cn1C 751148942 DAOZXNQCHOEVFY-UHFFFAOYSA-N 323.374 0.569 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](O)c3cnc[nH]3)C2)cc1 869227935 DIPKAXXVYODACH-XHDPSFHLSA-N 316.361 0.847 10 10 DCCE NC(=O)COc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1451772371 VMQMVOLZMBLIHZ-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865764918 HACIUEUWZASGMY-OIBJUYFYSA-N 318.420 0.852 10 10 DCCE CNC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cn1 1635847698 RTMZNDRZIYXLCZ-UHFFFAOYSA-N 301.302 0.782 10 10 DCCE C/C(=C/C(=O)NCc1c(O)cccc1O)CN1CCOCC1 1652625343 BWNHTPDLQXSFFY-XFXZXTDPSA-N 306.362 0.993 10 10 DCCE Nc1ccc(OCCNS(=O)(=O)CCCC(=O)O)cc1 63130584 PUCJZCKNPCTPSF-UHFFFAOYSA-N 302.352 0.432 10 10 DCCE OCc1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698121981 GLEGNKXBEFMIMY-WDEREUQCSA-N 302.168 0.873 10 10 DCCE NC(=O)c1c(NS(=O)(=O)c2cn[nH]c2)sc2c1CCC2 1260954185 JXVRQLJXZPELGP-UHFFFAOYSA-N 312.376 0.860 10 10 DCCE CC(=O)N(C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(N)cc1 170318125 PKDIZEBPBXGRNU-GHMZBOCLSA-N 319.361 0.784 10 10 DCCE CCCS(=O)(=O)NC1CN(c2ccc(CO)cc2F)C1 2165622862 ODOUMPYZXGHWEJ-UHFFFAOYSA-N 302.371 0.836 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(N2CCNC2=O)c(C)c1 808507825 ILNNZCPLTWIRLK-UHFFFAOYSA-N 304.302 0.840 10 10 DCCE COC[C@](C)(O)CCNC(=O)NCc1ccc(OC)cc1O 836534745 VJUQDRGMUMUGGU-OAHLLOKOSA-N 312.366 0.988 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCNCc1cc(Cl)ccc1O 903969146 VLACMPAKFYAXSB-LBPRGKRZSA-N 318.826 0.912 10 10 DCCE COc1cc(N2CCn3c(O)nnc3C2)c([N+](=O)[O-])cc1OC 767205050 CPDYOHGWKPDVKS-UHFFFAOYSA-N 321.293 0.929 10 10 DCCE COC(=O)c1cnc(SC[C@@H](NC(C)=O)C(=O)O)s1 2126229787 NJXYSYAIJDQAMQ-ZCFIWIBFSA-N 304.349 0.611 10 10 DCCE COC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1332019496 QFDZVTUDBJNVOS-GFCCVEGCSA-N 320.345 0.108 10 10 DCCE C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1629798777 NAICFFCHSIBUBW-LLVKDONJSA-N 319.365 0.988 10 10 DCCE CCOCCN(C)S(=O)(=O)CCOc1ccc(N)cc1 157044070 IUEIVLBWGGQCAB-UHFFFAOYSA-N 302.396 0.946 10 10 DCCE CN(Cc1cccc(F)c1O)[C@@H]1CCN(S(C)(=O)=O)C1 292718592 DYDIATYPBBXYFH-LLVKDONJSA-N 302.371 0.997 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)[C@H]1C[C@H](CO)C1 2157794513 SBLFUJDDMSSSMN-XWEPSHTISA-N 302.308 0.813 10 10 DCCE CN(C)CCN1C[C@@H](C(=O)Nc2ccc(O)c(O)c2)CC1=O 2065001829 ORVLZRNYAAYAHE-JTQLQIEISA-N 307.350 0.446 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCCCC(=O)O)cc1 2191762296 RUDMNHCWRJEXFM-UHFFFAOYSA-N 302.352 0.432 10 10 DCCE CO[C@H]1CNC[C@H]1S(=O)(=O)NCc1cnc(SC)s1 2269089270 AWYFJQIOALXFSQ-DTWKUNHWSA-N 323.465 0.271 10 10 DCCE Cc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1O 271227833 ACTWRLJEUBIYNL-SECBINFHSA-N 314.363 0.170 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](NC(N)=O)C2)cc1F 270826304 ZHZHXYLHWRHDED-LLVKDONJSA-N 323.372 0.844 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 808528102 RBQBBGPFTJJTPR-LLVKDONJSA-N 315.322 0.324 10 10 DCCE O=S(=O)(C[C@@H]1CNCCO1)Nc1ccc(O)c(Cl)c1 722223050 HODLASLVTPDXCZ-VIFPVBQESA-N 306.771 0.776 10 10 DCCE O=C(NCc1ccc2cccnc2c1O)C1CS(=O)(=O)C1 868937293 IDMFJJNWFTWBQR-UHFFFAOYSA-N 306.343 0.601 10 10 DCCE NC(=O)C1CCN(Cc2ccc(N3CCNCC3)cc2)CC1 84846402 PJSJOMDXUSHYHU-UHFFFAOYSA-N 302.422 0.794 10 10 DCCE COC[C@H](CCNC(=O)C(=O)NCCc1ccc(N)cc1)OC 1327843370 WCIOUGKHUUDKBU-AWEZNQCLSA-N 323.393 0.095 10 10 DCCE CCOC(=O)c1n[nH]c(CNC(=O)c2cccc(O)c2O)n1 1457752048 RLCDZSBVKDDYAK-UHFFFAOYSA-N 306.278 0.323 10 10 DCCE COC(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)n1 1545639123 CSCZFCUCWFSELQ-UHFFFAOYSA-N 305.290 0.548 10 10 DCCE C[C@@H](C(=O)O)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 49051111 GTGNFVNEFPPNSU-JTQLQIEISA-N 300.380 0.987 10 10 DCCE OCc1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(Br)c1 704453989 UKDIIQZXKXFNJW-PHIMTYICSA-N 316.195 0.978 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCS[C@H](CO)C2)cc1 720052496 RPDRSXGALQDGKB-LBPRGKRZSA-N 302.421 0.508 10 10 DCCE C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188867827 HLGSGQYUWPHJIN-ZETCQYMHSA-N 301.320 0.063 10 10 DCCE CN1C(=O)NC(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 2296740350 YHRNDRHNBHVDRT-UHFFFAOYSA-N 319.229 0.415 10 10 DCCE C[C@H]1C(=O)N(C)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 830769053 QEXQYNRUBIFIEP-ZDUSSCGKSA-N 318.421 0.831 10 10 DCCE Cc1ccc(O)c([C@@H](C)NC[C@]23COCCN2C(=O)COC3)c1 866555080 VRNIQDMGJFPSRW-CXAGYDPISA-N 320.389 0.979 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C3COC3)nc12 785775806 GHAYETWKDMFOBC-UHFFFAOYSA-N 321.289 0.301 10 10 DCCE O=C(C(=O)N1C[C@H]2C[C@@H](O)C[C@H]1C2)N1Cc2cccc(O)c2C1 1330537511 RCJBAFRAESBIPS-RAIGVLPGSA-N 316.357 0.606 10 10 DCCE C[C@H](O)CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1332053730 LFMSIOTYKHZHLD-JTQLQIEISA-N 304.346 0.606 10 10 DCCE NC(=O)c1nccnc1C(=O)NCc1ccc2cccnc2c1O 1639621518 INQBNYLVIUWPGF-UHFFFAOYSA-N 323.312 0.759 10 10 DCCE CC(C)COC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911873 MWOUYDMYLFEMMK-UHFFFAOYSA-N 312.322 0.915 10 10 DCCE NC(=O)CN(Cc1ccc(N)cc1)c1nc[nH]c(=O)c1Cl 164549668 DGCXJIJFSLAJSC-UHFFFAOYSA-N 307.741 0.497 10 10 DCCE CCOCCCS(=O)(=O)NCCOc1ccc(N)cc1 2145159849 YDVZMZCEBHUVSE-UHFFFAOYSA-N 302.396 0.994 10 10 DCCE CN1C[C@@H](CN)C[C@H]1c1ccc(S(C)(=O)=O)c(F)c1O 258547445 ARTPSALMJCGTDE-SCZZXKLOSA-N 302.371 0.886 10 10 DCCE C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cc(O)ccc1O 400167535 JFPAJWZUWOPWAG-UWVGGRQHSA-N 300.380 0.782 10 10 DCCE CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCCN=[N+]=[N-] 701281354 OOQAUNPWZNHRLY-SECBINFHSA-N 323.444 0.864 10 10 DCCE CN(C)[S@@](C)(=O)=NS(=O)(=O)CCOc1ccc(N)cc1 2167407817 SXWLBHUYANDMQO-IBGZPJMESA-N 321.424 0.552 10 10 DCCE O=S1(=O)CCN(CCNCc2cccc(Cl)c2O)CC1 2184635651 QAROUZOIEPWLLH-UHFFFAOYSA-N 318.826 0.866 10 10 DCCE C[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)c1ccccc1O 2192624138 UEYFFMTYSABKMD-MWLCHTKSSA-N 300.380 0.331 10 10 DCCE CSc1ncc(CNC(=O)N[C@H]2COC[C@@H]2C(=O)O)s1 2284536539 GEMIGUYYBXBSHN-YUMQZZPRSA-N 317.392 0.764 10 10 DCCE COc1cccc(CNC(=O)N[C@@H](C)Cn2cncn2)c1O 73965800 LUHXRCCUFOCSIB-JTQLQIEISA-N 305.338 0.880 10 10 DCCE O=C(O)/C=C\c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 844208947 BYMLZXNZPKSVCH-LLVWMEACSA-N 308.290 0.482 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)cc1 855232603 SKVJAMWGCDSRSY-QWHCGFSZSA-N 317.389 0.868 10 10 DCCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)O1 862025549 ODQRBKZSKFCDND-NWDGAFQWSA-N 315.329 0.590 10 10 DCCE CC(=O)c1cc(Cl)cc(CN2CC(=O)NCC23COC3)c1O 880161994 RHMJAVLQHNSFDD-UHFFFAOYSA-N 324.764 0.949 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)CC1OCCO1 1471650336 BMKNTDQPXMZGQY-CJHWANRJSA-N 309.318 0.351 10 10 DCCE CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1715965228 QDEBICYRPNSXPW-SECBINFHSA-N 320.353 0.303 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1cnn(C)c1 1633818286 GXTRFJVYSNRJCQ-OTYXRUKQSA-N 305.334 0.612 10 10 DCCE CS[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2142565121 RBOYQFXLCSZSLA-NWDGAFQWSA-N 302.421 0.819 10 10 DCCE CNCC[S@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 1876175129 YOHRBILTVIQGLP-SFHVURJKSA-N 305.425 0.416 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCN2CCOC[C@H]12 2064627690 VGWJORQRDJYVNK-QWHCGFSZSA-N 306.362 0.477 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(F)cc1O 2204650191 FFDUDQSDJYWHGN-DGCLKSJQSA-N 303.355 0.775 10 10 DCCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)[C@H](O)C2)cc1Cl 2234098595 UUBIAPLTLYBEMN-CUOATXAZSA-N 300.786 0.654 10 10 DCCE CCOc1nc(=NCc2cnc(SC)s2)nc(NN)[nH]1 2284718081 CZOHZSFWFWBLQH-UHFFFAOYSA-N 313.412 0.768 10 10 DCCE O=C(CN1CCOCC1=O)NCc1c(O)ccc2c1CCCC2 279079617 DWQILWUVDAPSFA-UHFFFAOYSA-N 318.373 0.746 10 10 DCCE O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CC(CO)C1 288643532 ULRMVDYLRVICIA-UHFFFAOYSA-N 315.373 0.130 10 10 DCCE CN(Cc1ccccc1O)C(=O)[C@@H]1CCN=C2C1=NNN2C 816889164 OLPDTAZRCSNTJC-LLVKDONJSA-N 301.350 0.575 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN([C@H]2CCOC2)C1 907272740 ITZPQIDKGMFGNA-FZMZJTMJSA-N 320.389 0.866 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3NC[C@@H]4C[C@@H]43)CC2)cc1 1352094863 CAKPBNQEQYSJAT-VBNZEHGJSA-N 301.390 0.952 10 10 DCCE CC(C)(CCN)NS(=O)(=O)CCOc1ccc(N)cc1 2191648430 RLZMVRJMSSESRZ-UHFFFAOYSA-N 301.412 0.694 10 10 DCCE CCCC[C@@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865765035 MSHDLNLCNGFIHI-MRVPVSSYSA-N 318.420 0.996 10 10 DCCE CN1CCC(N(C)C(=O)CCN2C(=O)CSC2=S)CC1 1865765833 MGXQYZWHPLWKGJ-UHFFFAOYSA-N 315.464 0.789 10 10 DCCE C[C@H](NC(=O)NCCCCS(N)(=O)=O)c1ccccc1O 1470331451 ZFHVNYIHWONWHV-JTQLQIEISA-N 315.395 0.821 10 10 DCCE COC(=O)C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1587080103 CGYIYSWJWLHEEP-NSHDSACASA-N 309.318 0.431 10 10 DCCE Nc1ccc(OCCNC(=O)[C@@H]2CCCCS2(=O)=O)cc1 167837172 XJYBYHJUJMLKHY-ZDUSSCGKSA-N 312.391 0.731 10 10 DCCE COC(=O)[C@](C)(C[C@H]1CCCS1(=O)=O)NCCN=[N+]=[N-] 2156786737 OCNJNVIAMXIBFV-KOLCDFICSA-N 304.372 0.785 10 10 DCCE CCS(=O)(=O)C[C@H](C)NC(=O)COc1ccc(N)cc1 2170584771 FLPOYZNSXPTPBM-JTQLQIEISA-N 300.380 0.587 10 10 DCCE COc1cc(OC)c(N2C[C@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2285906640 NZHSFPKREIGRNQ-NRUUGDAUSA-N 303.742 0.260 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C[C@H](C)NC(N)=O)C2)cc1 855227744 ZMXKNLVWRBHIBO-RYUDHWBXSA-N 320.393 0.837 10 10 DCCE Cc1ccc(O)c(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)c1 862756437 YJDGSEQOPIDUNT-LLVKDONJSA-N 301.350 0.541 10 10 DCCE C[C@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(F)c1 703140094 XJOJZFJKSZWZEL-GXSJLCMTSA-N 301.387 0.973 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1CN 1332894015 OSHYDXBYALAAEN-ZYHUDNBSSA-N 303.362 0.288 10 10 DCCE CC(=O)C(=O)[C@@]1(O)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 1901295380 LYWZSUKVDJZMQU-XPTSAGLGSA-N 301.339 0.578 10 10 DCCE COc1ccc(-n2nnnc2CN[C@@H](C)[C@H](C)NC(C)=O)cc1 1485113541 ZANRXAYXBXNQDW-QWRGUYRKSA-N 318.381 0.674 10 10 DCCE [N-]=[N+]=NCCCN[C@]1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161136974 ZENHWMSKHVKVEI-DOFRTFSJSA-N 302.356 0.554 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@H]3N(C)C)c2n1 2064503007 MXZQNQWMXHJVRE-VXGBXAGGSA-N 303.366 0.956 10 10 DCCE C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)C=[N+]=[N-] 4843835 NMOBLFPBMXXKCB-RKDXNWHRSA-N 314.301 0.046 10 10 DCCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 252371706 CSEQSYRACZQNDE-QWHCGFSZSA-N 314.407 0.127 10 10 DCCE O=C(CCN1CCCS1(=O)=O)N1Cc2cccc(O)c2C1 871200339 AVACUMZCPVGFBE-UHFFFAOYSA-N 310.375 0.660 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1O 1162277935 DNUQYHJGXAOVSR-NSHDSACASA-N 314.363 0.138 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN[C@H](CC)CO)nc12 1654809963 KAIMSPMSJIWECG-SECBINFHSA-N 308.338 0.472 10 10 DCCE CCN(CCS(C)(=O)=O)C(=O)c1c(F)ccc(O)c1O 1654432674 OYTQYTUXYDRPED-UHFFFAOYSA-N 305.327 0.744 10 10 DCCE C[C@H](Oc1ccc(N)cc1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1860082945 YUHOSHYAQFMRLM-GZMMTYOYSA-N 310.306 0.470 10 10 DCCE CCOC(=O)C[C@H](N)c1cc(F)c(S(C)(=O)=O)cc1O 260564195 MRTVTIIKWPPPPZ-VIFPVBQESA-N 305.327 0.888 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCS[C@@H](CO)C2)cc1 720052494 RPDRSXGALQDGKB-GFCCVEGCSA-N 302.421 0.508 10 10 DCCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)c(Br)c1 228153813 JJHUJJSOOFYCGR-SSDOTTSWSA-N 312.167 0.759 10 10 DCCE CS(=O)(=O)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255711520 HLAGCIVYYFRLGQ-DAXSKMNVSA-N 310.375 0.612 10 10 DCCE CN(Cc1ccc(Br)cc1O)CC1(O)CNC1 2250112898 HYMVUCWVMCBCJN-UHFFFAOYSA-N 301.184 0.921 10 10 DCCE COc1cncn(CC(=O)NCc2ccc(N(C)C)cc2)c1=O 918488330 CZOVLWODLJMAKC-UHFFFAOYSA-N 316.361 0.634 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)c1cc(O)ccc1O 697269047 DXTCTJKTCWMJSL-XTWCZFFVSA-N 301.364 0.560 10 10 DCCE CCCCN(CCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118934871 AYPXAAZSZOSDMY-UHFFFAOYSA-N 306.362 0.855 10 10 DCCE CN(C)C(=O)Cn1cc(C(=O)NCc2c(O)cccc2F)nn1 1156170399 MXDBLOKNWJHAIA-UHFFFAOYSA-N 321.312 0.141 10 10 DCCE COC(=O)[C@]1(OC)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1301021653 XQQSURXNHUYFQA-HNNXBMFYSA-N 309.318 0.431 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1nccc1N 1634387927 XJFFVNYFVOMROF-UHFFFAOYSA-N 301.350 0.957 10 10 DCCE CCN1CCN(CCC(=O)NCc2cc(O)ccc2O)CC1 1643882531 YXFGPWFOLMHNMA-UHFFFAOYSA-N 307.394 0.742 10 10 DCCE Nc1ccc(CS(=O)(=O)NC2CCS(=O)CC2)cc1 157804467 CXSWMPQRFGIGGM-UHFFFAOYSA-N 302.421 0.599 10 10 DCCE CN1CCN(c2ccc(C=C3NC(=S)NC3=O)cc2)CC1 2040736893 ORMOWGZHDHMYSF-UHFFFAOYSA-N 302.403 0.784 10 10 DCCE Cc1cccc(CNS(=O)(=O)N(C)CCC(=O)O)c1O 2204610680 PRNVAVIOBVNWOI-UHFFFAOYSA-N 302.352 0.442 10 10 DCCE CC1(CS(=O)(=O)Nc2ccc(O)cc2C(=O)O)COC1 2287118355 DQPVIOXIYXHQOD-UHFFFAOYSA-N 301.320 0.869 10 10 DCCE COc1ccc(N2CCN(C=O)CC2)cc1NS(C)(=O)=O 62192179 CRZOEVGNODWJHM-UHFFFAOYSA-N 313.379 0.345 10 10 DCCE CN(Cc1ccccc1O)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 828865019 HNEWCBBLMDBYKX-TZMCWYRMSA-N 302.334 0.952 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H](OC)C(=O)O)C2)cc1 901681585 KGXZKLWDCWNTJV-RISCZKNCSA-N 322.361 0.737 10 10 DCCE Nc1ccc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc1 927768774 UFFMPUTXCXDRLY-CVEARBPZSA-N 319.405 0.765 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)Cn3cnc(N)n3)C2)cc1 869229539 XXKQWOHTEOONNT-NSHDSACASA-N 316.365 0.264 10 10 DCCE COC(=O)CCNC(=O)CCNCc1cc(C)cc(OC)c1O 895403854 BQWVNGHJZYCESK-UHFFFAOYSA-N 324.377 0.868 10 10 DCCE O=C(c1cccc(O)c1O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 1144551740 JFWQEYROKRBKRK-JTQLQIEISA-N 311.359 0.890 10 10 DCCE COc1ccc(CNC[C@@H](C)NC(=O)c2nnn(C)n2)cc1C 1669376359 JDBGJZJAZVXYER-LLVKDONJSA-N 318.381 0.435 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)Cc1ccc(N)cc1 1985771756 MIAGZNONYBYDMG-ZDUSSCGKSA-N 323.393 0.813 10 10 DCCE Nc1ccc(CS(=O)(=O)NCc2nnc(CO)s2)cc1 2192605351 CMVVGJZPYFDGSW-UHFFFAOYSA-N 314.392 0.232 10 10 DCCE CCC[C@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2191637979 ODGXERQKZQOMQN-GFCCVEGCSA-N 301.412 0.694 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccc(F)cc1O 2204631166 HPPFCDBIRJJUAL-NWDGAFQWSA-N 300.355 0.102 10 10 DCCE CCn1c(SC[C@@H](O)COc2ccc(N)cc2)n[nH]c1=O 61594166 OFEQGNITCCADOP-JTQLQIEISA-N 310.379 0.706 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(CCO)CC1 96785300 MGOLPBDFOYGHBV-GFCCVEGCSA-N 308.378 0.413 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)c3ncn(C)n3)C2)cc1 855225387 KYQHRDPVNUZNKD-LLVKDONJSA-N 301.350 0.832 10 10 DCCE CCOC(=O)C1(CC(=O)OCC(=O)C(C)=O)CCOCC1 869752596 SOTDRPVVEZHALS-UHFFFAOYSA-N 300.307 0.438 10 10 DCCE COC(=O)c1cnc(Sc2nnnn2CC(=O)O)s1 2126231051 QXNOEMVVYCDIBV-UHFFFAOYSA-N 301.309 0.152 10 10 DCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1nnc(N)n1 1463807463 LDVZNGGTWWGAEK-UHFFFAOYSA-N 315.381 0.514 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(O)COC1 1539301240 BABLNCBKBPVQKW-UHFFFAOYSA-N 306.362 0.243 10 10 DCCE C[C@@H]1C[C@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 2143960656 OYSUFXUEADULCP-PSASIEDQSA-N 301.364 0.859 10 10 DCCE C[C@@H](C(=O)O)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 49046000 GODLFQRHKDVJLP-ZETCQYMHSA-N 322.364 0.273 10 10 DCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](O)C2)CC1 2155556705 FOSFPMCTQOGJOB-WDEREUQCSA-N 303.388 0.853 10 10 DCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CO)CC1 2161835294 FPBRTWQGIWMBMG-MNOVXSKESA-N 303.388 0.853 10 10 DCCE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](COc3nnc(=N)[nH]n3)[C@H]2C1 2210654962 AVKHKKFPNVSSLZ-GUBZILKMSA-N 322.369 0.561 10 10 DCCE COCCCNC(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1O 170914046 FPQXGIMKVQAXHO-UHFFFAOYSA-N 311.338 0.885 10 10 DCCE CC(=O)N1CCC[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 876506418 JXCUMUCACIXSHJ-HOTGVXAUSA-N 318.421 0.880 10 10 DCCE COC(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)no1 1137464490 BNVFTGKDTBVXHO-UHFFFAOYSA-N 306.274 0.845 10 10 DCCE COc1ccc(O)c(CNC(=O)C2CN([C@H]3CCOC3)C2)c1 896363577 ZCELZRWHVHOWHP-ZDUSSCGKSA-N 306.362 0.738 10 10 DCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CCS(C)(=O)=O 63142015 NJNMQZYTSPETEQ-UHFFFAOYSA-N 320.436 0.465 10 10 DCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1c(O)cccc1O 1304053294 GXKKCCUTHAELIW-UHFFFAOYSA-N 318.333 0.109 10 10 DCCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 1912181640 QGMXAUVIRNWWGE-BDAKNGLRSA-N 304.397 0.818 10 10 DCCE Cc1cc(C)n(CC(=O)NCc2cccc(O)c2O)c(=O)n1 1637045522 DTHLHUDHJXCUDS-UHFFFAOYSA-N 303.318 0.588 10 10 DCCE CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 151256870 DUUCWVQQUFFVBY-UHFFFAOYSA-N 302.371 0.836 10 10 DCCE OCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 1998367531 HRHNDFNITBGGKK-AOOOYVTPSA-N 302.168 0.873 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@H](CCF)C3)c2n1 2065076012 AGNKKCXBPHQJTO-JTQLQIEISA-N 308.313 0.944 10 10 DCCE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(O)c(O)c(O)c1 2188867826 HLGSGQYUWPHJIN-SSDOTTSWSA-N 301.320 0.063 10 10 DCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)cc1Cl 2234064470 GJGVPEBEZQLXDS-ISTUKMMPSA-N 300.786 0.917 10 10 DCCE CSc1ncc(CN[C@H]2CC(CO)(CO)C[C@H]2O)s1 2269198255 JWRZDINPTZVSFA-VHSXEESVSA-N 304.437 0.449 10 10 DCCE C[C@@H](NS(=O)(=O)C[C@@H]1CNCCO1)c1ccccc1O 866814204 MXGKGHFBIMPELT-MNOVXSKESA-N 300.380 0.361 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc([C@@H](C)N)cc2F)C1 2165573623 XOBROXBHUITQBD-SECBINFHSA-N 301.387 0.973 10 10 DCCE CONC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 299299898 BDIMEFCSHDJNJC-UHFFFAOYSA-N 308.382 0.678 10 10 DCCE CN(C[C@H]1COCCO1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 853830517 UADAFEGKTZMODQ-VIFPVBQESA-N 323.305 0.777 10 10 DCCE O=C1COC[C@]2(CNCc3ccc4c(c3)CCO4)COCCN12 865800911 OPGVFGUCWTWWRA-KRWDZBQOSA-N 318.373 0.339 10 10 DCCE CN(CC(=O)NC1CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761873345 YJYGJDZQCNJEFU-UHFFFAOYSA-N 320.305 0.641 10 10 DCCE C[C@@H](CCN1CCN(C)CC1)NC(=O)Cc1ccc(O)c(O)c1 1448018551 FXFIYXJHABWUGM-ZDUSSCGKSA-N 321.421 0.783 10 10 DCCE CC(C)(O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1609995513 NSIPKRDHTZXVTO-UHFFFAOYSA-N 308.378 0.555 10 10 DCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnnn1C1CC1 1649048966 RHCVFODDBKAULJ-MRVPVSSYSA-N 303.322 0.839 10 10 DCCE CCOc1cccc(CNCCC(=O)NCCC(=O)O)c1O 1857860315 YJDJCVSDPQUGMH-UHFFFAOYSA-N 310.350 0.862 10 10 DCCE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)Cc1ccc(N)cc1 1985771755 MIAGZNONYBYDMG-CYBMUJFWSA-N 323.393 0.813 10 10 DCCE CN1C[C@H](NCc2cc(Br)ccc2O)C(=O)N1 393900744 AVYGIMJZLHBNJL-VIFPVBQESA-N 300.156 0.590 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCN(C)C3)c2n1 2064281736 IPBTUTWLYFXUSH-NSHDSACASA-N 303.366 0.815 10 10 DCCE O=S1(=O)CCN(CCNCc2ccc(Cl)cc2O)CC1 2184618635 FZCGRLOHIPTZRC-UHFFFAOYSA-N 318.826 0.866 10 10 DCCE CO[C@H]1CNC[C@H]1S(=O)(=O)Nc1c(C)cc(O)cc1C 2239737532 VHZHPYCMCLDDCR-NWDGAFQWSA-N 300.380 0.738 10 10 DCCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cccc(F)c2O)C1 2279311828 XVDKMYNDZFQUQB-LLVKDONJSA-N 302.371 0.997 10 10 DCCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2357915719 GKDNQCITPYNUML-IOEYQFCTSA-N 300.786 0.523 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)NCc2ccnn2C)cc1 283515950 OKSUHEFGECPGCO-UHFFFAOYSA-N 315.377 0.419 10 10 DCCE C[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(F)cc1O 925791363 GBUVIFMBTKHBIM-JQWIXIFHSA-N 316.398 0.959 10 10 DCCE COc1ccc(N2CCN(C[C@H]3CNCCO3)CC2)c(OC)c1 866697165 INECXEFQTFKBSI-OAHLLOKOSA-N 321.421 0.814 10 10 DCCE Nc1ccc(CC(=O)NC[C@]23COCCN2C(=O)OC3)cc1 872288764 QDAKUVJJOXAXQR-OAHLLOKOSA-N 305.334 0.149 10 10 DCCE C[C@H](O)C1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 719751653 FEELGWULJQNKGG-JTQLQIEISA-N 300.380 0.290 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1nc(O)cc(O)n1 1301573296 BFBMOQDFKZKKHP-RQOWECAXSA-N 303.274 0.629 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)N2CC[C@H](O)C2)C1 1912161969 PRLUWGCHRDGHSN-MNOVXSKESA-N 303.388 0.710 10 10 DCCE COc1ncc(NC(=O)c2c(F)ccc(O)c2O)cc1C(N)=O 1638472900 PMKFLOWWUIPSHG-UHFFFAOYSA-N 321.264 0.992 10 10 DCCE NC(=O)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865768072 IGYXGGKINFWYDF-UHFFFAOYSA-N 323.399 0.974 10 10 DCCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCN1C 70490893 BCHGDBINTQUDBY-LBPRGKRZSA-N 313.423 0.613 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@H]1CCNC1 722224415 QJMPGYGBBUNDAX-QMMMGPOBSA-N 301.324 0.652 10 10 DCCE CC(=O)C(=O)COC(=O)CCCN(C)C(=O)c1ccncc1 924013119 NTSMPNOEGJVDGE-UHFFFAOYSA-N 306.318 0.635 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)CC1OCCO1 1471650337 BMKNTDQPXMZGQY-FWEMWIAWSA-N 309.318 0.351 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1c(O)cccc1Cl 2142467284 QHXGDTRVTAINKZ-JQWIXIFHSA-N 305.783 0.947 10 10 DCCE C[C@H](CS(N)(=O)=O)NCc1cc(Br)ccc1O 1947430313 VMSVXCKXBFBZLS-SSDOTTSWSA-N 323.212 0.921 10 10 DCCE N[C@@H]1CC[C@H]1CS(=O)(=O)NCCc1ccc(O)c(O)c1 2178209960 QIIWORZNCNIBHY-WDEREUQCSA-N 300.380 0.297 10 10 DCCE Nc1ccc(CS(=O)(=O)NC2CC([C@@H](F)CO)C2)cc1 2199112795 BYRWDWKBQHTWNV-GDKBPFBDSA-N 302.371 0.797 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC2(F)CCNCC2)cc1 2191636229 WZQHBKZSKCGFQH-UHFFFAOYSA-N 301.387 0.780 10 10 DCCE O=S(=O)(C[C@H]1CCCO1)NCCc1ccc(O)c(O)c1 1193285901 CDXCDSXDVVMUHQ-LLVKDONJSA-N 301.364 0.739 10 10 DCCE CN1CCN(c2ccc(CNCc3cnn(C)n3)cc2)CC1 808416627 KLCRSWQGLKDHTJ-UHFFFAOYSA-N 300.410 0.857 10 10 DCCE CC(=O)C(=O)COC(=O)CN(CCc1ccccc1)C(C)=O 808531470 SFJOMEQWAWHNCU-UHFFFAOYSA-N 305.330 0.779 10 10 DCCE NS(=O)(=O)C1(CNCc2ccc(F)c(F)c2O)CCC1 721516498 MJPUPZOJICSHAJ-UHFFFAOYSA-N 306.334 0.971 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N3CC(=O)N(C)C3)C2)cc1 852452209 UGFNGMNUPZUHHQ-LBPRGKRZSA-N 318.377 0.715 10 10 DCCE C[C@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1O 867836447 TUNMZIQZYKYCGI-RYUDHWBXSA-N 314.407 0.703 10 10 DCCE Oc1cc2c(cc1CN1CCO[C@@]3(CCOC3)C1)[C@H](O)CO2 768905108 IEISXTMHAQUJHP-ZBFHGGJFSA-N 307.346 0.809 10 10 DCCE C[S@@](=O)c1nncn1Cc1ccc(N2CCOCC2)cc1 877889534 LDRFDMYVGKSBAI-OAQYLSRUSA-N 306.391 0.900 10 10 DCCE NC(=O)[C@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1O 88659576 WZYGRJBYWJBBDN-SNVBAGLBSA-N 304.177 0.958 10 10 DCCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CN(C)CCN1C 1346768835 ZWAUOALATXAJBM-SMDDNHRTSA-N 324.400 0.965 10 10 DCCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1CN 1351984739 YMCCGMDNOHJQNP-WCQYABFASA-N 317.389 0.678 10 10 DCCE CS(C)(=O)=NC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1 1639648909 ZDEOHAYIUUNCFT-GQCTYLIASA-N 312.347 0.481 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCO)c1 1567467531 LPFCVZBZKDPZLZ-JTQLQIEISA-N 305.334 0.648 10 10 DCCE CN1C(=O)NCC12CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 1643347023 SQSFVKQDPGKYHF-UHFFFAOYSA-N 319.361 0.657 10 10 DCCE CNC(=O)[C@@H]1CCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063896820 ATQCFCDOQBDSSB-JTQLQIEISA-N 303.322 0.094 10 10 DCCE NCc1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2119564955 AQZJCRATGUVGFE-UHFFFAOYSA-N 301.799 0.538 10 10 DCCE CN(C)C[C@@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)CCO1 2308001430 IYCVLJJZSHYKRK-CYBMUJFWSA-N 306.362 0.900 10 10 DCCE Cc1ccc(CNC[C@@H](O)C(N)=O)c(O)c1Br 2307569383 IXEUISMXLXIHBY-MRVPVSSYSA-N 303.156 0.399 10 10 DCCE CCN(CCN=[N+]=[N-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 2362981454 NPJAQGZTSYXOTQ-JTQLQIEISA-N 303.388 0.817 10 10 DCCE CC1(C)NC(=O)N(CC(=O)NCCc2ccc(N)cc2)C1=O 236648927 XCBCSPQEXRTDKM-UHFFFAOYSA-N 304.350 0.258 10 10 DCCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C(N)=O)O1 92006595 BZCHSSXFFLOJSC-CZUORRHYSA-N 319.405 0.598 10 10 DCCE O=C(c1cccc(O)c1O)N1CCN(c2ncns2)CC1 854814561 IQCSBMSCRVIYJE-UHFFFAOYSA-N 306.347 0.912 10 10 DCCE C[C@@H](NC(=O)CN1CCOCC1=O)c1ccc(N(C)C)cc1 790940565 MUCOMAYMDKXHSK-GFCCVEGCSA-N 305.378 0.789 10 10 DCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(O)c(O)c1 791138099 DJVZQYYBKOYMIH-MRXNPFEDSA-N 318.329 0.327 10 10 DCCE O=C1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)N1 1446436419 WGDJKJWYTOMEMK-ZETCQYMHSA-N 320.326 0.848 10 10 DCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(O)cc1O 1299575093 XSHMTKPNPOVGPJ-INIZCTEOSA-N 318.329 0.327 10 10 DCCE COc1ccc(CNCCN(C)C(=O)CCNC(N)=O)cc1C 1714790849 SVSHYFQOYDQWPO-UHFFFAOYSA-N 322.409 0.610 10 10 DCCE CC(C)(C)S(=O)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1565764008 ZBJKTHMLBZQBDW-UHFFFAOYSA-N 315.391 0.970 10 10 DCCE COc1ccc(CNCCOCCO)cc1CN1CCOCC1 13736157 LDDMFTRHIMLXDG-UHFFFAOYSA-N 324.421 0.626 10 10 DCCE C[C@]1(NS(=O)(=O)Cc2ccc(N)cc2)CCS(=O)(=O)C1 44886627 KWRLPKKKVJNMIS-LBPRGKRZSA-N 318.420 0.265 10 10 DCCE NCc1ccc(N2C[C@@H]3C(=O)NC(=O)[C@H]3C2)cc1Br 386984245 NNMWXKABXKCMFL-UWVGGRQHSA-N 324.178 0.617 10 10 DCCE Nc1ccc(CS(=O)(=O)NC23COC(CF)(C2)C3)cc1 2202607867 UWIOZEQPUPTVFJ-UHFFFAOYSA-N 300.355 0.959 10 10 DCCE Cc1cccc(CNS(=O)(=O)N2CC(C(=O)O)C2)c1O 2204609547 JXAIXLDHWGLJIE-UHFFFAOYSA-N 300.336 0.051 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2357915721 GKDNQCITPYNUML-OJICRYGUSA-N 300.786 0.523 10 10 DCCE COc1cc(N2CCC(CO)(CO)C2)c([N+](=O)[O-])cc1OC 853894942 KQYHWFARDAEJAV-UHFFFAOYSA-N 312.322 0.793 10 10 DCCE C[C@H](NC(=S)NCCNS(C)(=O)=O)c1ccccc1O 865269919 GNRFXJJYILFFIN-VIFPVBQESA-N 317.436 0.467 10 10 DCCE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1 863828093 QWKFZFBALJZCPF-SECBINFHSA-N 318.420 0.855 10 10 DCCE C[C@@]12COC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(N)cc1)C2 1327487367 UNSMXWSPJSLHSJ-SUMWQHHRSA-N 317.389 0.422 10 10 DCCE C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccccc1O 1171730061 JFKCJPXBDLONEY-JTQLQIEISA-N 317.349 0.563 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 1912185367 OTSJGYDHCBENMX-SNVBAGLBSA-N 301.372 0.712 10 10 DCCE CSCC[C@H](NC(N)=O)C(=O)NCc1c(O)cccc1O 1472064268 ZCMLJAQQFNFNEY-VIFPVBQESA-N 313.379 0.504 10 10 DCCE CN(Cc1cc(=O)n2nc(N)[nH]c2n1)c1ccc2c(c1)OCO2 1616389267 KNJTYJVGMLAUEF-UHFFFAOYSA-N 314.305 0.365 10 10 DCCE COc1ccc(CNC[C@H](O)CN(C)C(=O)[C@H](C)OC)cc1C 1725691419 ZZSOPKPGUSYTIH-ZFWWWQNUSA-N 324.421 0.947 10 10 DCCE CC(C)S(=O)(=O)CCN(C)C(=O)c1ccc(O)c(O)c1 2170462284 YEKQFESNFSVTLQ-UHFFFAOYSA-N 301.364 0.993 10 10 DCCE 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O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCCC2)cc1 57149605 ZVOOAYPSXIQFTN-ZDUSSCGKSA-N 316.361 0.501 10 10 DCCE CNC(=O)[C@@H]1CNCCN1Cc1cc(Cl)cc(OC)c1O 229104093 CIHOFLXNAYZLNV-NSHDSACASA-N 313.785 0.574 10 10 DCCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)(C)O 393961934 UXXLDOVTMAOUTF-SNVBAGLBSA-N 302.396 0.726 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC1CC(N2CCOCC2)C1 1162872922 HSAZPXYULKVRGY-UHFFFAOYSA-N 306.362 0.620 10 10 DCCE CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1N 1329503257 AGOVVBJNTHFMMY-SMDDNHRTSA-N 317.389 0.820 10 10 DCCE [N-]=[N+]=NC[C@H]1CCN(CCS(=O)(=O)N2CCOCC2)C1 1912190899 KYBUIEBKHLGKQA-LLVKDONJSA-N 303.388 0.281 10 10 DCCE CC(C)N[C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1700808483 PZQMZDIJXSZBQU-LBPRGKRZSA-N 307.354 0.938 10 10 DCCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CC(N)=O)cc1C 1717402471 GKIBYCNXLQAZTD-NEPJUHHUSA-N 307.394 0.862 10 10 DCCE C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(O)cc1O 400172277 LBVCCFOAVTUQGO-NXEZZACHSA-N 300.380 0.782 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCC1(CN=[N+]=[N-])CC1 2174350689 FWSLOBCXARZDJU-VIFPVBQESA-N 301.372 0.617 10 10 DCCE CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1COc1nnc(=N)[nH]n1 2210660055 ZLNBZMUGYGYFGZ-ZJUUUORDSA-N 324.385 0.999 10 10 DCCE COCCS(=O)(=O)CCNCc1cccc(OC)c1O 2204667986 QDMDGBXHILSZRT-UHFFFAOYSA-N 303.380 0.552 10 10 DCCE COC(=O)[C@@H](C1CC1)S(=O)(=O)Nc1ccc(O)c(N)c1 2236144088 RKOLGTFEFKBZDE-LLVKDONJSA-N 300.336 0.668 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1F 105206054 DZNACAJXDZOMCJ-UHFFFAOYSA-N 308.357 0.923 10 10 DCCE C[S@](=O)CCC[S@@](=O)CC(=O)Nc1ccc(N)cc1 320161270 MWTSJGOHKLXUAC-RBUKOAKNSA-N 302.421 0.725 10 10 DCCE COCCN(C)S(=O)(=O)NNc1nc2cccnc2s1 857225856 USICBNBKEFRJEJ-UHFFFAOYSA-N 317.396 0.431 10 10 DCCE O=C(O)c1c[nH]nc1S(=O)(=O)Nc1ccc(O)c(F)c1 70330117 FLJLEIHPVROCGQ-UHFFFAOYSA-N 301.255 0.753 10 10 DCCE CC(=O)O[C@H]1[C@H](C)O[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083803665 MKZJGETUNXHZRX-MRGOGPLHSA-N 315.282 0.837 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CCNC2=O)CC1 1291845010 SCIDMKRGTKRSAG-UHFFFAOYSA-N 319.361 0.657 10 10 DCCE COc1cc(Cl)cc(CN(CC(N)=O)CC(=O)O)c1O 2201035108 IQGDBTUNYLORTF-UHFFFAOYSA-N 302.714 0.426 10 10 DCCE COCCS(=O)(=O)CCNCc1ccc(OC)cc1O 2204666564 HKWXFFFDJUMLJA-UHFFFAOYSA-N 303.380 0.552 10 10 DCCE COc1cccc(CNC(=O)[C@@H]2CSCN2C(C)=O)c1O 729858778 BOTZEGMSYYBXID-NSHDSACASA-N 310.375 0.938 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)CS(=O)(=O)N(C)C)c1 752596450 OCADBCXHJIZXFM-SECBINFHSA-N 316.379 0.469 10 10 DCCE O=C(CC(=O)NCC(F)(F)F)NCc1cccc(O)c1O 1123890333 XFRDXIYZWUXXIJ-UHFFFAOYSA-N 306.240 0.783 10 10 DCCE O=C(c1cccc(O)c1O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 1464675673 YZULMCKPWWWCIV-OLZOCXBDSA-N 306.362 0.769 10 10 DCCE C[C@H](CN1CCOCC1)N(C)C(=O)Cc1ccc(O)c(O)c1 1626631781 LFXYTLCLJILOAH-GFCCVEGCSA-N 308.378 0.819 10 10 DCCE CC(=O)C(=O)[C@H](O)[C@]1(C)COCCN1C(=O)OC(C)(C)C 1900512909 VOLPMODMLHEGDL-FZMZJTMJSA-N 301.339 0.531 10 10 DCCE C[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cc(O)ccc1O 400167537 JFPAJWZUWOPWAG-ZJUUUORDSA-N 300.380 0.782 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCN(C)C(=O)C3)c2n1 2062886991 UUVSWHMQJGSLGM-SECBINFHSA-N 303.322 0.094 10 10 DCCE Cc1cc(C(=O)NC[C@H]2CNC[C@@H]2O)c(C)n1-c1ccccn1 262379750 WYOWWACLZWSTHZ-HIFRSBDPSA-N 314.389 0.799 10 10 DCCE CC(C)(O)[C@@H](O)C(=O)NCc1cc(Br)ccc1O 908170729 TTXVTFFWFHEQFD-JTQLQIEISA-N 318.167 0.903 10 10 DCCE NC(=O)CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1=O 840160170 RIYQWZINLFEWPP-UHFFFAOYSA-N 317.389 0.401 10 10 DCCE COc1ccc(O)c(CNC(=O)CNC(=O)c2ccccn2)c1 740086562 ZVYRNBCWVFWCAQ-UHFFFAOYSA-N 315.329 0.842 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(CCO)c1 1347582327 DBGXSYCMRSQHOL-UHFFFAOYSA-N 310.350 0.997 10 10 DCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 1142533473 LQUTVRPNZDCYKT-SNVBAGLBSA-N 316.317 0.490 10 10 DCCE Cn1cnc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 1305125028 JFGDJFLZEIOEAJ-UHFFFAOYSA-N 324.362 0.427 10 10 DCCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)N1CC(O)C1 1914144380 RSPWZDXEUFRPSK-UHFFFAOYSA-N 312.269 0.744 10 10 DCCE NC(=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cn1 1558536446 YIECBEVUCCYDQT-UHFFFAOYSA-N 301.302 0.451 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CNCCSC2)cc1 1876459507 QECWUTLPXDFLMP-GFCCVEGCSA-N 301.437 0.393 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C1CS(=O)(=O)C1 2146087218 MROXPNXJAQFIJC-VIFPVBQESA-N 318.420 0.121 10 10 DCCE C[C@@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCS1(=O)=O 2188868512 SGPODBRETSAWRD-SVRRBLITSA-N 301.320 0.109 10 10 DCCE CC(C)(CN)CNS(=O)(=O)CCOc1ccc(N)cc1 2191701976 LEARRTMSJLVIAO-UHFFFAOYSA-N 301.412 0.552 10 10 DCCE NC[C@@H]1CC(F)(F)CN1S(=O)(=O)Cc1ccc(N)cc1 2296423170 MLPVKGGHBDWLGD-NSHDSACASA-N 305.350 0.767 10 10 DCCE CN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@](C)(C(=O)O)[C@@H]2C1=O 104879573 WRMPVXKXNFAZLU-VEABSNGSSA-N 304.302 0.111 10 10 DCCE CC(=O)N(C(=O)C(=O)NCc1ccccn1)c1ccc(N)cc1 170318435 HVXXXZYLIKJQTL-UHFFFAOYSA-N 312.329 0.860 10 10 DCCE O=C(O)[C@H]1[C@H](O)[C@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 2357876760 LYOBOCBEFHFNRD-FXPVBKGRSA-N 322.144 0.690 10 10 DCCE COc1cc(O)c(CN2CCN3CCOC[C@@H]3C2)cc1OC 368283743 KSOMAACJSYCSMP-ZDUSSCGKSA-N 308.378 0.926 10 10 DCCE NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294823709 GJEWWJKHJZCULV-UHFFFAOYSA-N 301.749 0.788 10 10 DCCE CN(Cc1ccccc1O)C(=O)C1(n2cnnn2)CCOCC1 830141010 LZESQPRUBWNQEN-UHFFFAOYSA-N 317.349 0.543 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)CS(C)(=O)=O)C2)cc1 855229167 IGDHUQSUCKFISF-NSHDSACASA-N 312.391 0.435 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C2)cc1 855227745 ZMXKNLVWRBHIBO-VXGBXAGGSA-N 320.393 0.837 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1CN2 1348854830 CTSIRSYMEHSFIM-OLZOCXBDSA-N 303.362 0.313 10 10 DCCE CN(CCCN=[N+]=[N-])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 1912157610 SABWIOVVXRONAC-JTQLQIEISA-N 303.388 0.264 10 10 DCCE C[C@H](NC(=O)[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1 1292236548 WPCHLIKCNJBGLA-SUMWQHHRSA-N 320.389 0.852 10 10 DCCE CC(C)S(=O)(=O)CCN(C)C(=O)c1cccc(O)c1O 1971965386 BPXDDEQQKPXPBL-UHFFFAOYSA-N 301.364 0.993 10 10 DCCE NCc1ccc(N2CC[C@](O)(CO)C2)c(F)c1Br 313648885 OZQWUCKHFLHLSQ-GFCCVEGCSA-N 319.174 0.980 10 10 DCCE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1ccc(O)c(O)c1 2160760566 RYWUXHCYASCDQF-VIFPVBQESA-N 301.364 0.993 10 10 DCCE [N-]=[N+]=NCCNC1(C(=O)O)C[C@@H]2CCC[C@H](C1)S2(=O)=O 2186382054 KBXSOFCIRLAXON-SLHIUPAKSA-N 302.356 0.839 10 10 DCCE COc1cccc(O)c1CN[C@H]1COC[C@H]1S(C)(=O)=O 2207461784 WJGSOWYZWDCYMG-GXFFZTMASA-N 301.364 0.302 10 10 DCCE CSc1ncc(CNC(=O)N2C[C@H](O)C[C@H]2C(=O)O)s1 2284502862 ZHZCRYNWIQBPEH-SVRRBLITSA-N 317.392 0.594 10 10 DCCE C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccccc1O 183719216 MPDAOISBRUDTPN-NSHDSACASA-N 304.350 0.870 10 10 DCCE COc1cc(N2CCC[C@](O)(CO)C2)c([N+](=O)[O-])cc1OC 313629265 CXTGBXKTVSJHPD-CQSZACIVSA-N 312.322 0.936 10 10 DCCE COc1ccc(O)c(CNC(=O)NCC[C@H]2CNC(=O)C2)c1 918745476 MFYMNFGYIFQSQT-SNVBAGLBSA-N 307.350 0.726 10 10 DCCE O=C(c1cccc(O)c1O)N1CCC(N2CC[C@H](O)C2)CC1 856253245 IOBDSUYLWNNTDY-LBPRGKRZSA-N 306.362 0.769 10 10 DCCE CC(C)NC(=O)CN(C)CC(=O)N1Cc2cccc(O)c2C1 871198845 PMFOXYOBXHQJRP-UHFFFAOYSA-N 305.378 0.691 10 10 DCCE COC(=O)c1ccn(CC(=O)NCCc2ccc(O)c(O)c2)n1 1150488937 YTKPIUQRRKTXDK-UHFFFAOYSA-N 319.317 0.440 10 10 DCCE COC(=O)c1cn(CC(=O)NCc2cccc(Cl)c2O)nn1 1653566958 HNQKVWOUWOVCGJ-UHFFFAOYSA-N 324.724 0.740 10 10 DCCE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)Cc1ccc(N)cc1 1985852151 CCRDCUYIGGGNPB-CYBMUJFWSA-N 323.393 0.813 10 10 DCCE NCc1ccc(N2CC[C@@](O)(CO)C2)c(F)c1Br 313648887 OZQWUCKHFLHLSQ-LBPRGKRZSA-N 319.174 0.980 10 10 DCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)NCc1cccc(C)c1O 2204624836 RAODRKKFFAGLTO-NEPJUHHUSA-N 300.380 0.107 10 10 DCCE O=c1cc[nH]cc1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 71224542 DNBWMBKWKTZYRJ-UHFFFAOYSA-N 311.275 0.790 10 10 DCCE O=C(O)CN(Cc1ccc(O)cc1O)[C@H]1CCS(=O)(=O)C1 86736746 AOJNNQOLLMBREP-JTQLQIEISA-N 315.347 0.172 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@]3(O)CCOC3)CC2)cc1 840237133 GUWQIIUKVIOREY-INIZCTEOSA-N 306.362 0.495 10 10 DCCE Cc1cc(O)c(CNC[C@@H](O)CS(C)(=O)=O)c(Cl)c1 922822477 GUMZZDPYJOUJRB-SECBINFHSA-N 307.799 0.849 10 10 DCCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)C[C@@H]1CCO 928508386 IJTKKMYWGKRRDS-QMMMGPOBSA-N 305.377 0.075 10 10 DCCE COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cc(O)cs3)C2)C1 871384611 NKAZXCQQJJCOKT-ZDUSSCGKSA-N 310.331 0.988 10 10 DCCE CC[S@](=O)CCNC(=O)NCc1ccc(OC)cc1O 792948122 PBFLYKJZVRFMPJ-FQEVSTJZSA-N 300.380 0.969 10 10 DCCE CC1=C(C(=O)NCc2cc(O)ccc2O)Cn2nnnc2N1C 1176755274 NYDNQJUWSZXWHT-UHFFFAOYSA-N 316.321 0.125 10 10 DCCE O=C(CCCN1C(=O)CNC1=O)NCc1c(O)cccc1O 1639288879 AHBFLLSAGMJDJW-UHFFFAOYSA-N 307.306 0.046 10 10 DCCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CN)cc2F)C1 702983363 CVSHDTJFGOELED-NSHDSACASA-N 301.387 0.802 10 10 DCCE CO[C@@]1(CNCc2cc(F)ccc2O)CCS(=O)(=O)C1 721252076 AGTKEUAXFHCMQF-CYBMUJFWSA-N 303.355 0.825 10 10 DCCE C[C@@H](N)c1cc(F)c(N2CC(NS(C)(=O)=O)C2)c(F)c1 2194691937 SUEMJXGHTZPNIJ-SSDOTTSWSA-N 305.350 0.722 10 10 DCCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2ccc(O)c(O)c2O)C1 2192325694 IAVXRDVDXQVNCO-WAAGHKOSSA-N 301.364 0.716 10 10 DCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Br 2308770702 DYLYVNAMXHHRER-HWNAMQAFSA-N 313.195 0.838 10 10 DCCE CCN(C(=O)c1cc(O)nc(O)c1)[C@@H]1CCS(=O)(=O)C1 170223371 SSUHGLUOTMMPJE-SECBINFHSA-N 300.336 0.142 10 10 DCCE CN(C)C[C@@H]1C[C@@H](O)CN1S(=O)(=O)Cc1ccc(N)cc1 97245136 JUFNOFRBRUUMLO-UONOGXRCSA-N 313.423 0.095 10 10 DCCE C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCS1(=O)=O 272654576 NMMXGQPVWJIVRV-GFAPAMAISA-N 311.359 0.757 10 10 DCCE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)C(C)=O)C1=O 289774303 WLAIXHXTZZDBBJ-MRXNPFEDSA-N 316.313 0.547 10 10 DCCE NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1=O 839170677 SBHWRTSHKDQBRW-UHFFFAOYSA-N 315.732 0.314 10 10 DCCE COC(=O)/C=C/c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 751961292 HXKFEAGVVNVTMN-OIWRZFCRSA-N 322.317 0.713 10 10 DCCE O=C(NCCS(=O)(=O)C1CC1)NCc1c(O)cccc1F 922900263 ZOKFMWXXIGCKJB-UHFFFAOYSA-N 316.354 0.908 10 10 DCCE NC[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)cc2)=NO1 852859518 WARGSYCDGCKYQH-AWEZNQCLSA-N 318.377 0.243 10 10 DCCE CN1C(=O)C(=Cc2cc(O)ccc2[N+](=O)[O-])C(=O)N(C)C1=O 772801355 FMCSVBAZZWFDRT-UHFFFAOYSA-N 305.246 0.734 10 10 DCCE O=C(C(=O)N1CC[C@@]2(CCNC2)C1)N1Cc2cccc(O)c2C1 1261875767 QLCIAOXDBARMDZ-QGZVFWFLSA-N 315.373 0.446 10 10 DCCE C[C@@H](CCO)N(C)S(=O)(=O)CCOc1ccc(N)cc1 1917007404 WDNGXHLNTQRPJY-NSHDSACASA-N 302.396 0.680 10 10 DCCE CN(C)C(=O)/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1 1625607170 BIHBKYYDAAPMHI-FPLPWBNLSA-N 317.389 0.784 10 10 DCCE COCCCNC(=O)CN(C)C(=O)c1c(F)ccc(O)c1O 1558918897 QSKGRKQGYINVRY-UHFFFAOYSA-N 314.313 0.462 10 10 DCCE O=C(NCc1c(O)cccc1O)c1cccn2c(O)nnc12 1558533492 GPXOLYBYIFAUDR-UHFFFAOYSA-N 300.274 0.776 10 10 DCCE NC(=O)[C@H]1OCC[C@H]1NCc1cc(Br)ccc1O 2053788903 LBXNKYHIGWXNBB-KOLCDFICSA-N 315.167 0.887 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@H]2C[C@H](CO)C2)ccc1O 2236169057 VLRWMXLKPJBSPC-XWEPSHTISA-N 302.308 0.813 10 10 DCCE CN(CC(=O)N1CCOCC1)C(=O)CSc1nccs1 64661147 FYCTXUYLEJAJDN-UHFFFAOYSA-N 315.420 0.552 10 10 DCCE CO[C@@H]1CNC[C@H]1S(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366465920 LTRUKNZIGLQEMU-VXGBXAGGSA-N 300.380 0.738 10 10 DCCE CNC(=O)NCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855234248 VYWJBLVJINQLCX-NSHDSACASA-N 306.366 0.319 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCc2cc(C)ccc2O)nn1 1147962657 YDFOMUYQGDSFEX-GFCCVEGCSA-N 304.350 0.993 10 10 DCCE CN(CCNCc1cc2c(cc1O)OCO2)S(C)(=O)=O 692521082 AQELRJALSMXISY-UHFFFAOYSA-N 302.352 0.102 10 10 DCCE C[S@](=O)C1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2115312621 ZMUULZKHGAXRAA-WYRIXSBYSA-N 300.767 0.893 10 10 DCCE Cc1cn2nnc(C(=O)NCc3ccc(O)c(O)c3)c2c(O)n1 1545639294 JTWBZKDCWAPEHL-UHFFFAOYSA-N 315.289 0.480 10 10 DCCE CCOC(=O)CCN(C)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878571 HSOUCXCFOCVADU-UHFFFAOYSA-N 318.337 0.270 10 10 DCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)[C@H](C(F)F)C2)cc1 2191525673 OBHNZBHCGCFZIA-GHMZBOCLSA-N 305.350 0.623 10 10 DCCE CSc1ncc(CNC(=O)C2(C(=O)O)CCNCC2)s1 2284496606 CSMCUYOPJQVDMR-UHFFFAOYSA-N 315.420 0.936 10 10 DCCE CN(Nc1nc([C@H](N)C(=O)O)cs1)S(=O)(=O)C1CCC1 2365273961 UBWFANNQENRACI-QMMMGPOBSA-N 320.396 0.369 10 10 DCCE Nc1ccc(OCCC(=O)NC[C@H]2CCCS2(=O)=O)cc1 133822108 JBHFHPAAMHMMID-CYBMUJFWSA-N 312.391 0.731 10 10 DCCE 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Cn1ccc(NC(=O)CNC(=O)Cc2ccc(O)c(O)c2)n1 1467635035 NWQHUOJEKZOVKS-UHFFFAOYSA-N 304.306 0.129 10 10 DCCE Nc1ccc(N2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)cc1Cl 1924753620 AKNMPCFJVLAOFW-HTQZYQBOSA-N 314.750 0.456 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CCCN(C)C3)c2n1 2064281735 IPBTUTWLYFXUSH-LLVKDONJSA-N 303.366 0.815 10 10 DCCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1cncc(Br)c1 2067763798 QWRKJHNUSAZUNP-WDEREUQCSA-N 312.167 0.825 10 10 DCCE COc1cccc(CN[C@@H]2COC[C@H]2S(C)(=O)=O)c1O 2207464793 IGWVOGIVXAUHIM-ZYHUDNBSSA-N 301.364 0.302 10 10 DCCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)C2COC2)s1 2284543401 FCLDOUCYNCEDAS-QMMMGPOBSA-N 317.392 0.764 10 10 DCCE C[C@@]1(N)CN(S(=O)(=O)Cc2ccc(N)cc2)CC1(F)F 2361915625 IMPYWCPVUYSDBU-LLVKDONJSA-N 305.350 0.767 10 10 DCCE CCN(CCN=[N+]=[N-])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 2362981074 HLWBLEHPEIHXLE-SNVBAGLBSA-N 303.388 0.264 10 10 DCCE Nc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)cc1 50350881 BWCKDVYVGDHHCS-UHFFFAOYSA-N 304.393 0.588 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 808497232 UOVYLDGOOZWBSE-UHFFFAOYSA-N 309.230 0.681 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(O)nnc1O 1623386938 MWQSQHLPACFPPB-UHFFFAOYSA-N 305.338 0.414 10 10 DCCE COc1ccc(CNC(=O)NCCCc2nc[nH]n2)c(O)c1 1565035143 YWYRHIANRYMSLJ-UHFFFAOYSA-N 305.338 0.951 10 10 DCCE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)Cc1ccc(O)c(O)c1 1595348704 WCXVSRBQHXAJJF-RYUDHWBXSA-N 323.345 0.867 10 10 DCCE CN1NC(=O)[C@H](CC(=O)NCCc2ccc(Cl)cc2)C1=O 169995817 QXIIFQVBIPSTGI-NSHDSACASA-N 309.753 0.508 10 10 DCCE Nc1ccc(CC(=O)NCCn2cc(Br)nn2)cc1 1878207776 LSLPOFIUNJSSCL-UHFFFAOYSA-N 324.182 0.982 10 10 DCCE NS(=O)(=O)NCCNCc1cccc(Br)c1O 1995949113 GSPJHZNIQPRZHC-UHFFFAOYSA-N 324.200 0.037 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)cc1F 711284411 JCFCWWPLYDRKLX-OLZOCXBDSA-N 302.371 0.533 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCN(C4CC4)CC3)c2n1 2064628577 GUBVHPXKXBCBBJ-UHFFFAOYSA-N 301.350 0.664 10 10 DCCE Cc1nn(C)c(Br)c1[C@@H](NCCN=[N+]=[N-])C(N)=O 2076818967 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0.618 10 10 DCCE O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)NCCO 16905438 GGPKASLRBOUCGP-TWGQIWQCSA-N 312.372 0.589 10 10 DCCE CN1CCN(NC(=O)CCNCc2ccc(N(C)C)cc2)CC1 1857858986 REQSCJJIDWTUQZ-UHFFFAOYSA-N 319.453 0.511 10 10 DCCE O=[N+]([O-])c1ccc(N2CCCS(=O)(=O)CC2)cc1CO 236508807 OBLCIAKJFDPBCG-UHFFFAOYSA-N 300.336 0.712 10 10 DCCE NC(=O)C1(N)CN(Cc2ccc(Br)cc2O)C1 2001280690 IFRBFBXNDIIYPC-UHFFFAOYSA-N 300.156 0.153 10 10 DCCE CCN(C(=O)CNS(=O)(=O)N(C)C)c1ccc(N)cc1 312297094 MYCUHQBPSZWCHM-UHFFFAOYSA-N 300.384 0.018 10 10 DCCE C[S@@](=O)CCC[S@@](=O)CC(=O)c1ccc(O)c(O)c1 2089654115 OGNYFOLDFXQGJK-RTBURBONSA-N 304.389 0.798 10 10 DCCE COCC[S@](=O)CCNS(=O)(=O)Cc1ccc(N)cc1 2207026880 DGYVRPKXRYZDKO-LJQANCHMSA-N 320.436 0.083 10 10 DCCE CN(C[C@@H](O)COc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 36869377 CSEQSYRACZQNDE-CHWSQXEVSA-N 314.407 0.127 10 10 DCCE C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1CCO 588531480 OTQHDAFOMPHSSI-FHMRSRPSSA-N 306.362 0.636 10 10 DCCE O=C(NCCS(=O)(=O)C1CC1)c1c(F)ccc(O)c1O 1183693613 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0.847 10 10 DCCE CN(C)S(=O)(=O)C1(CNC(=O)c2cccc(O)c2O)CC1 1634914951 VWKSVPHNTLJOGD-UHFFFAOYSA-N 314.363 0.252 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCCN)cc1 2146056716 RDZBJAQETJQLMY-UHFFFAOYSA-N 321.424 0.539 10 10 DCCE C[C@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2146328484 GOQIJPPFSJUJCX-CUOATXAZSA-N 300.786 0.918 10 10 DCCE CCOC(=O)C(F)(F)CCS(=O)(=O)N1CC(N=[N+]=[N-])C1 2178729363 KJUHZHPBLQRWBW-UHFFFAOYSA-N 312.298 0.899 10 10 DCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Br 2084798719 PSRJGXFBPNTUTR-SRVKXCTJSA-N 319.174 0.788 10 10 DCCE CC[C@@H](C)N1C(=O)/C(=C\NC[C@H]2CCCO2)C(=O)NC1=S 138502585 CHLNUKPEYHOJNV-VXNGBHNKSA-N 311.407 0.681 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 844430899 HKOFTGAGWHEFFV-AYSMAOOMSA-N 321.446 0.574 10 10 DCCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H](O)C2CCOCC2)cc1 843298136 MPXSTHAITPXKCZ-HOTGVXAUSA-N 321.421 0.656 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)NC(C)(CO)CO)C2)cc1 854297659 QBAITXUBGRQJOK-LBPRGKRZSA-N 323.393 0.316 10 10 DCCE CNC(=O)Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1136310294 DQMPNYLXCAMVSS-UHFFFAOYSA-N 304.306 0.222 10 10 DCCE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)Cc1ccc(O)c(O)c1 1446836850 ACEJPWUMRKFNSS-RYUDHWBXSA-N 323.345 0.819 10 10 DCCE COc1ccc(CNCCCN(C)C(=O)CC(N)=O)cc1C 1483458756 RYJBUYDKRLKCJL-UHFFFAOYSA-N 307.394 0.817 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCS(=O)(=O)CCO1 1640743220 WJVLPDISIZPHHY-DUXPYHPUSA-N 313.331 0.300 10 10 DCCE Nc1ccc(CC(=O)NCCn2ncc(Br)n2)cc1 1875997548 DDNRAVJNOLCQKV-UHFFFAOYSA-N 324.182 0.982 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CC[C@@H](CO)C2)cc1 167581376 LEBDYBZIBLMKPC-LLVKDONJSA-N 300.380 0.292 10 10 DCCE CSc1ncc(CNC(=O)c2cn(CC(=O)O)nn2)s1 2284495027 UPMXKSPDIMUADV-UHFFFAOYSA-N 313.364 0.471 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)CN(C)C(C)=O)C2)cc1 855229889 ALGADRRQCCMQOM-ZDUSSCGKSA-N 305.378 0.868 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C3=NO[C@H](CN)C3)C2)cc1 852899785 BWFBQKNNQQNWPR-RISCZKNCSA-N 318.377 0.494 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2c(O)cccc2OC)CCO1 862459125 NBAUWAXQPTYQQH-NSHDSACASA-N 309.366 0.531 10 10 DCCE C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CN1 861736207 VJFGEOQFFGIRHS-JSGCOSHPSA-N 318.421 0.626 10 10 DCCE CC(=O)C(=O)[C@](C)(O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 1919187828 LOHNYWBLVPAGOD-IAQYHMDHSA-N 315.366 0.922 10 10 DCCE COc1ccc(CN[C@H](C)CN(C)C(=O)CC(N)=O)cc1C 1507055247 KBVWOKAWYQAFME-GFCCVEGCSA-N 307.394 0.816 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CCn3cnnn3)C2)cc1 1354081038 MFVNDCPXXGHVSJ-GFCCVEGCSA-N 316.365 0.467 10 10 DCCE COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)Cc1ccc(O)c(O)c1 1446836848 ACEJPWUMRKFNSS-NWDGAFQWSA-N 323.345 0.819 10 10 DCCE CS(=O)(=O)CC1(CC(=O)NCc2ccc(O)cc2O)CC1 1638351739 FBKRNTOEYWEUKR-UHFFFAOYSA-N 313.375 0.929 10 10 DCCE CN(Cc1ccccc1)C[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043440 TUUDYZARSNPKEU-KKUMJFAQSA-N 303.406 0.711 10 10 DCCE CCOc1cccc(CNCC(=O)N2CCC(O)CC2)c1O 1857867141 VODFYPAXLDREFT-UHFFFAOYSA-N 308.378 0.864 10 10 DCCE CCN(C(=O)c1ccc(O)c(O)c1)[C@@H](C)CS(C)(=O)=O 2170404121 VXWCOVMIMWJKII-VIFPVBQESA-N 301.364 0.993 10 10 DCCE Oc1c(Br)cccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2046515234 UUSZDRPFUACCJI-DMWPJOQESA-N 318.167 0.099 10 10 DCCE O=S1(=O)C[C@@H]2NCCN(Cc3ccc(F)cc3O)[C@H]2C1 2204631167 HPPFCDBIRJJUAL-RYUDHWBXSA-N 300.355 0.102 10 10 DCCE COc1cccc(CNC(=O)Cn2nnnc2C(C)C)c1O 175339706 IYCDZWJDRKRZPU-UHFFFAOYSA-N 305.338 0.827 10 10 DCCE CN(CCO)c1cc2c(cc1Br)[C@H](N)C(=O)N2 118589959 CBWCGCRVMPLVOC-JTQLQIEISA-N 300.156 0.830 10 10 DCCE CN1CCCc2cc(CNC(=O)CNS(C)(=O)=O)ccc21 60455875 MEWOOCHYXOYPLR-UHFFFAOYSA-N 311.407 0.234 10 10 DCCE CC(=O)C(=O)COC(=O)CCc1nc(-c2ccccn2)no1 808503143 ZKQACILTPAIITN-UHFFFAOYSA-N 303.274 0.766 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCN[C@H]1CCc2cccc(O)c21 925789993 ZPANPZBCAQNBGH-STQMWFEESA-N 310.419 0.746 10 10 DCCE COc1ccc(-n2nnnc2CNCC[C@@H](C)NC(C)=O)cc1 1320318642 QOXHPOFDWLLGOH-LLVKDONJSA-N 318.381 0.675 10 10 DCCE C[C@H]1[C@H](O)CCN1S(=O)(=O)CCOc1ccc(N)cc1 1914429517 FBQKHUBSFRQVJV-GXFFZTMASA-N 300.380 0.433 10 10 DCCE C[C@]1(O)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1351906018 GKPSZQMHPFFCSP-KRWDZBQOSA-N 318.373 0.998 10 10 DCCE CCOC(=O)CCCNC(=O)CCN1C(=O)CSC1=S 1865766118 PNSOVBBNFXIWPJ-UHFFFAOYSA-N 318.420 0.696 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1Br 317685575 QJRSQYNEVHQYOG-BXKDBHETSA-N 301.184 0.697 10 10 DCCE CCOC[C@](CN)(NCc1cnc(SC)s1)C(=O)O 2349499179 DRMHUPDCYUZBOK-NSHDSACASA-N 305.425 0.773 10 10 DCCE Oc1ccc(Cl)cc1CN1C[C@H](O)[C@H](N2CCOCC2)C1 1614302286 CMDPBHJTJNDNQL-HIFRSBDPSA-N 312.797 0.923 10 10 DCCE COc1cc(CNCCNC(C)=O)ccc1N(C)CC(=O)O 211563440 UUQCBLIGPOBMJI-UHFFFAOYSA-N 309.366 0.442 10 10 DCCE C[C@@]1(CCCC(=O)NCc2c(O)cccc2O)NC(=O)NC1=O 1597575029 XNZWHUTZPJTGTB-HNNXBMFYSA-N 321.333 0.482 10 10 DCCE CC(C)OC(=O)NS(=O)(=O)NCCOc1ccc(N)cc1 162773112 XEESEKAFMWUXGQ-UHFFFAOYSA-N 317.367 0.617 10 10 DCCE Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)c(=O)[nH]c1C 159819807 IFXFFNGHIDQAOP-UHFFFAOYSA-N 303.318 0.770 10 10 DCCE COC[C@](O)(CO)CNCc1cc(Cl)cc(OC)c1O 2158620136 XVERZBNQVAGIKD-CYBMUJFWSA-N 305.758 0.514 10 10 DCCE COCCS(=O)(=O)CCNCc1cc(F)cc(F)c1O 2204671563 UDVFGUWYVWKQRQ-UHFFFAOYSA-N 309.334 0.821 10 10 DCCE CC(=O)O[C@H]1CO[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 6761554 LMAJKBXVWKPVDF-LNFKQOIKSA-N 301.255 0.448 10 10 DCCE CC(C)C[C@@H](CO)NS(=O)(=O)CCOc1ccc(N)cc1 70490747 VUESNKLYQLZJOG-ZDUSSCGKSA-N 316.423 0.974 10 10 DCCE CC(=O)C(=O)COC(=O)CCn1cnc2sccc2c1=O 808493742 NIFHCZAQNGQSFD-UHFFFAOYSA-N 308.315 0.549 10 10 DCCE CC(C)[C@H](N)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 851686155 WKMBUDWEGFJFBZ-OAHLLOKOSA-N 320.437 0.858 10 10 DCCE COc1cccc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 93531282 OHIQSXUVRFRJDY-NSHDSACASA-N 300.380 0.524 10 10 DCCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1CO 1329436609 IGCXAEUXTKEWMK-MFKMUULPSA-N 304.346 0.464 10 10 DCCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)cc1C 1268641320 GUBMQYRAOUVAEW-NEPJUHHUSA-N 322.409 0.655 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 1296314475 FAQFOZLLDUKRHC-PWSUYJOCSA-N 306.322 0.664 10 10 DCCE CCOC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)COC1 1603084731 PSGTXTUWISMNNU-UHFFFAOYSA-N 309.318 0.479 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(O)c1O 1471643097 DAHOEYWOKWIWPZ-SNVBAGLBSA-N 314.363 0.138 10 10 DCCE Cc1ccc(O)c(CNC(=O)NCC(=O)N=S(C)(C)=O)c1 1565175601 MVDZQUOBDWOGFQ-UHFFFAOYSA-N 313.379 0.754 10 10 DCCE CCOCCOC[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1639942833 XDJHRYINAWHPKU-LBPRGKRZSA-N 313.350 0.171 10 10 DCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(O)COC1 1634423994 QBDAUZZPMSIPAU-UHFFFAOYSA-N 324.352 0.164 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC(=O)N(CC(F)(F)F)C1 1640183871 AYYBNRLHGISWPJ-UHFFFAOYSA-N 318.251 0.831 10 10 DCCE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)Cc1ccc(O)c(O)c1 1595348703 WCXVSRBQHXAJJF-NWDGAFQWSA-N 323.345 0.867 10 10 DCCE OCc1ccc(N2CCC2(CO)CO)cc1Br 2018512062 QQDYKEXQUCYIAL-UHFFFAOYSA-N 302.168 0.875 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CO)C1 2161836678 TVJZQKIEAFFOAQ-MNOVXSKESA-N 303.388 0.710 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]4CN(C)C[C@H]43)c2n1 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COc1cccc(O)c1CNCC(C)(C)NS(C)(=O)=O 2160701544 SYKOGZTZSCUDRY-UHFFFAOYSA-N 302.396 0.818 10 10 DCCE COC(=O)c1c(C(F)(F)F)nn2c(O)cc(CC(=O)O)nc12 2080933699 RWDMTSNRIJJDND-UHFFFAOYSA-N 319.195 0.867 10 10 DCCE COc1cccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)c1O 2207464784 IGWVOGIVXAUHIM-JQWIXIFHSA-N 301.364 0.302 10 10 DCCE CN(C)C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 588407967 IYCVLJJZSHYKRK-AGLBCWCQSA-N 306.362 0.900 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3NC(=O)O[C@@H]3C)C2)cc1 855223593 AXEKKXKPDZRHPW-SUNKGSAMSA-N 319.361 0.887 10 10 DCCE O=C1OC[C@]2(CNCc3cc4c(cc3O)OCO4)COCCN12 865768448 JDHIUTPZBLTABB-HNNXBMFYSA-N 322.317 0.432 10 10 DCCE O=C(C(=O)N1CC[C@@]2(O)C[C@H]2C1)N1Cc2cccc(O)c2C1 1118957786 PPMPSBUDXNQHQX-MEDUHNTESA-N 302.330 0.218 10 10 DCCE CCN(C(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CCCOC1 1326876027 WXHYVQUCLFMODT-HNNXBMFYSA-N 319.405 0.955 10 10 DCCE CN1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)N1 1446836413 OBMRISLYYAOZKT-ZETCQYMHSA-N 307.331 0.388 10 10 DCCE CCS(=O)(=O)C[C@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1 1293503711 LPLDQMPKTUWTGV-JTQLQIEISA-N 315.391 0.922 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCCS1(=O)=O 1631425072 XQGNGZBDHQRXQW-LLVKDONJSA-N 313.375 0.724 10 10 DCCE COC(=O)C[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1570027680 STLNFQROOOZXKC-NSHDSACASA-N 309.318 0.431 10 10 DCCE CN(C)c1ccc([C@H](NC(=O)C(=O)O)c2nccn2C)cc1 1866099879 TUBIPKFHMFAQEB-LBPRGKRZSA-N 302.334 0.776 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCC[C@@H]2C2OCCO2)cc1 2029141268 XIMJAHIKRCELMR-CYBMUJFWSA-N 312.391 0.936 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H](N(C)C)C3)c2n1 2063742671 ZJJFNHFLVSEDBR-LLVKDONJSA-N 303.366 0.910 10 10 DCCE Oc1cccc(Br)c1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309041294 BCHLKGRJUXUJDH-GMNPVEAJSA-N 318.167 0.099 10 10 DCCE COCCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1=O 179709084 PSYNPNLCYDOVNR-UHFFFAOYSA-N 309.322 0.591 10 10 DCCE CN(C)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 181093832 IYCVLJJZSHYKRK-DIECRNLCSA-N 306.362 0.900 10 10 DCCE C[C@@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1cc(O)ccc1O 2358324670 LZVCLXYDHRMLMJ-XTWCZFFVSA-N 301.364 0.560 10 10 DCCE O=C1CN[C@@H](c2cc(I)ccc2O)CN1 1951859372 ZDZXBBKPLYMDSY-MRVPVSSYSA-N 318.114 0.757 10 10 DCCE C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)Cc1ccc(N)cc1 40334433 CUIXBBGIMQCYSH-PWSUYJOCSA-N 311.407 0.684 10 10 DCCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)N1CCCC1 228078857 NEOJIBZKDVHMQV-LLVKDONJSA-N 311.407 0.699 10 10 DCCE Cn1[nH]c([C@@H]2CCCN2C(=O)c2cccc(O)c2O)nc1=N 846068729 YXKUUIPTJUQZTH-VIFPVBQESA-N 303.322 0.616 10 10 DCCE CN1CCCc2cc(CNC(=O)C3=NO[C@H](CN)C3)ccc21 852863896 SWZYCXFALAYSQT-ZDUSSCGKSA-N 302.378 0.789 10 10 DCCE C[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1=O)c1ccccc1O 868728121 XKLAVDIHYMPZOV-ONGXEEELSA-N 305.334 0.900 10 10 DCCE c1cc(N2CCNCC2)ccc1CNCCN1CCOCC1 84846353 BEAQWAWCRCRPCC-UHFFFAOYSA-N 304.438 0.518 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(=O)N1CCCC1 1611430666 FSIOFGIPEVIRFD-LLVKDONJSA-N 321.377 0.950 10 10 DCCE CN(C)c1n[nH]c(CNC(=O)NCc2c(O)cccc2F)n1 1479204969 YUAPNCLBJYTETO-UHFFFAOYSA-N 308.317 0.715 10 10 DCCE COc1ccc(CNC[C@H](C)CNC(=O)CC(N)=O)cc1C 1714381254 UAMQRLLDJDYIFW-NSHDSACASA-N 307.394 0.721 10 10 DCCE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](O)(C(=O)C(C)=O)C1 1892660025 NZRJMECYTGZGPC-HZMBPMFUSA-N 301.339 0.531 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H](O)C2CC2)cc1 70490884 VNLWNPAJHSYXMG-CYBMUJFWSA-N 300.380 0.338 10 10 DCCE NCc1ccc(N2CC(NC(N)=O)C2)c(F)c1Br 2044811735 CQJFFCAZTQPIIC-UHFFFAOYSA-N 317.162 0.904 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@H](N)CC(F)(F)F)cc1 2191628706 CEDUMQOSMWWBJT-SNVBAGLBSA-N 311.329 0.968 10 10 DCCE CNC(=O)NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 39561425 CHTFBMIMDRAWGI-UHFFFAOYSA-N 306.366 0.273 10 10 DCCE CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 134460904 JMAOUPDMNYLTHG-LLVKDONJSA-N 313.423 0.945 10 10 DCCE CN(C)c1ccc(CNC(=O)Nc2cnn(CC(N)=O)c2)cc1 43273281 OWNQCJCBWRRQEI-UHFFFAOYSA-N 316.365 0.756 10 10 DCCE CC(CO)(CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588432711 KJOFCQXEYDCKKH-DAXSKMNVSA-N 320.389 0.396 10 10 DCCE C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119005779 DHNJXQPBXGOKOM-WCQYABFASA-N 318.373 0.996 10 10 DCCE CS(=O)(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cn1 1153798922 YCDSPAJAAVVCLC-UHFFFAOYSA-N 322.342 0.826 10 10 DCCE Nc1ccc(OCC(=O)NCCN2C(=O)CSC2=O)cc1 1860080785 PLFWPWJFOMLFOK-UHFFFAOYSA-N 309.347 0.459 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O)cc1C 1669539244 GUBMQYRAOUVAEW-RYUDHWBXSA-N 322.409 0.655 10 10 DCCE CN([C@@H]1CCN(c2ccc(CN)c(F)c2)C1)S(C)(=O)=O 2146921885 ZARAWORUEFVONK-GFCCVEGCSA-N 301.387 0.755 10 10 DCCE Cn1cc([C@@H](NCCCN=[N+]=[N-])C(N)=O)c(Br)n1 712426230 XMDROMDRRGSXPI-SSDOTTSWSA-N 316.163 0.999 10 10 DCCE CSCCS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2174045984 LYOJUTADBUONIH-UHFFFAOYSA-N 317.436 0.249 10 10 DCCE CN([C@H]1CCN(Cc2ccc(F)cc2O)C1)S(C)(=O)=O 2204663064 QIHOZLBYFMHBHJ-LBPRGKRZSA-N 302.371 0.997 10 10 DCCE Nc1ccc(N2C(=O)CN([C@H]3CCS(=O)(=O)C3)C2=O)cc1 37606986 YRRQRNAEDALJNT-NSHDSACASA-N 309.347 0.225 10 10 DCCE CCS(=O)(=O)NC1CN(c2c(F)cc(CO)cc2F)C1 2165630652 NCDJYUUDGJZLEQ-UHFFFAOYSA-N 306.334 0.585 10 10 DCCE C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 844783117 SPIFQDQXTQVIRE-ZETCQYMHSA-N 316.335 0.309 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)CN3CCOCC3)C2)cc1 855231525 BOOQEFZBAILFIF-AWEZNQCLSA-N 319.405 0.722 10 10 DCCE COCCN(CCF)C(=O)C(=O)NCCc1ccc(N)cc1 1261633349 DNISZIJGUXYNMN-UHFFFAOYSA-N 311.357 0.372 10 10 DCCE CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CCN(C)C1 1347004287 OVMHHSBYDDCESE-CQSZACIVSA-N 319.405 0.903 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)N2CC[C@@H](O)C2)C1 1912161968 PRLUWGCHRDGHSN-GHMZBOCLSA-N 303.388 0.710 10 10 DCCE C[C@@H](NC(=O)[C@@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1 1292236545 WPCHLIKCNJBGLA-CXAGYDPISA-N 320.389 0.852 10 10 DCCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CNC(C)=O)C2)cc1C 1490864124 PLNLEYOXPDISBL-SHTZXODSSA-N 319.405 0.877 10 10 DCCE NC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cn1 1648645544 YTPUWDMMFSYFLE-UHFFFAOYSA-N 305.265 0.661 10 10 DCCE O=C(NCc1cccc(O)c1O)c1cnn2c(=O)cc[nH]c12 1651176056 YWZMCNARTGFTGH-UHFFFAOYSA-N 300.274 0.364 10 10 DCCE COc1ccc(O)c([C@@H](C)NCCN(C)S(C)(=O)=O)c1 692523821 RFAKLNQAUPLXLI-SNVBAGLBSA-N 302.396 0.943 10 10 DCCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCS(=O)(=O)N1 1157042052 VEANRLNKOWVPCJ-CYBMUJFWSA-N 320.370 0.853 10 10 DCCE Cc1c([C@@H](NCCN=[N+]=[N-])C(N)=O)c(Br)nn1C 2067823506 JASQAANWIHRCQG-SSDOTTSWSA-N 316.163 0.917 10 10 DCCE CN(C)CCCNC=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2296260094 JPLXIGGMUYMQBK-UHFFFAOYSA-N 316.361 0.695 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H](CO)C2)c(Cl)c1 2289407259 RIFDUMCEHTZSPK-SWHYSGLUSA-N 300.786 0.210 10 10 DCCE CCOC(=O)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490781 VJILTLHEJCYWEX-SNVBAGLBSA-N 316.379 0.519 10 10 DCCE COc1cc2c(c(OC)c1OC)C(=O)N[C@@H](C(=O)O)CN2C 527432165 SUZYPRIFOPLERI-SSDOTTSWSA-N 310.306 0.345 10 10 DCCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 268107636 HGDKCFIRJLQUMT-SSDOTTSWSA-N 317.319 0.641 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](NC(N)=O)C2)c1O 278559991 BDKADUIXAYWYEX-SECBINFHSA-N 310.310 0.552 10 10 DCCE COc1ccc(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c(O)c1 846061803 VBTGUBYOADDWJC-BLXFPGOASA-N 316.357 0.932 10 10 DCCE CN(C)CCn1ccc(C(=O)NCc2cc(O)ccc2O)n1 1303225858 PPGBFRWTGPMKND-UHFFFAOYSA-N 304.350 0.786 10 10 DCCE O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1cc(O)ccc1O 1303225503 JQROKLWWDUVBSV-JTQLQIEISA-N 313.375 0.929 10 10 DCCE COc1ccc(Br)c(CN[C@@H](CO)[C@@H](C)O)c1O 1969624067 LPRMRYQKEQOQCC-XCBNKYQSSA-N 320.183 0.995 10 10 DCCE Nc1ccc(NC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 2146473036 GNGJTCFTFBHXHJ-UHFFFAOYSA-N 314.352 0.412 10 10 DCCE COC(=O)C1(O)CN(c2ccc(CN)cc2Br)C1 714488838 SDUXRXLJXUBAMH-UHFFFAOYSA-N 315.167 0.632 10 10 DCCE COc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)c(OC)c1OC 2296132727 GRFVHWRIIWFVKS-UHFFFAOYSA-N 320.301 0.804 10 10 DCCE CN1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1=O 191133950 WCICHKZDKICQLE-UHFFFAOYSA-N 318.421 0.533 10 10 DCCE O=C1N[C@]2(C(=O)NCc3ccc(O)c(O)c3)C[C@H]3C[C@H]1[C@H]2C3 845834495 PVJLEHAVDLYKRJ-ZSYFIWHWSA-N 302.330 0.629 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1 855227119 WOZITTVFPJWCGK-GXFFZTMASA-N 305.334 0.499 10 10 DCCE C[C@@H](NS(=O)(=O)C[C@@H]1CN(C)CCO1)c1ccccc1O 867835105 TUNMZIQZYKYCGI-NEPJUHHUSA-N 314.407 0.703 10 10 DCCE Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1ccccn1 798264312 ANKFDAJENARKRN-INIZCTEOSA-N 303.362 0.962 10 10 DCCE COC(=O)C1(NCCCN=[N+]=[N-])CC2(C1)CS(=O)(=O)C2 1912144995 BYWWYAZEXRTZPG-UHFFFAOYSA-N 302.356 0.397 10 10 DCCE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1297776576 ZSDZZHFEOWOEGJ-SMDDNHRTSA-N 311.378 0.915 10 10 DCCE CNCCN(C)S(=O)(=O)N(C)[C@H](C)c1ccccc1O 2160306062 HZPDHXIJFMMEGN-LLVKDONJSA-N 301.412 0.781 10 10 DCCE COC(OC)C(=O)N1CCN(Cc2ccc(F)cc2O)CC1 2063423297 QWEDSUYGXYXQEC-UHFFFAOYSA-N 312.341 0.794 10 10 DCCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1COc1nnc(=N)[nH]n1 2210648747 DCXDUXKIEFIDEO-VIFPVBQESA-N 322.369 0.848 10 10 DCCE NCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1Br 2084798720 PSRJGXFBPNTUTR-WOPDTQHZSA-N 319.174 0.788 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)c(Cl)c1 2234092310 IFYVYSGUWIITEK-FZZIBODNSA-N 301.770 0.688 10 10 DCCE CC(C)c1nnnn1CC(=O)NCCc1ccc(O)c(O)c1 122088406 KGBCMILHELLPEU-UHFFFAOYSA-N 305.338 0.567 10 10 DCCE COCCNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 243657752 PAZJRLMCZYSPEB-UHFFFAOYSA-N 321.421 0.970 10 10 DCCE CCN1CCN(c2ccc(CNC(=O)CC(N)=O)cc2F)CC1 266821376 IKZIPBUCQUMPFN-UHFFFAOYSA-N 322.384 0.459 10 10 DCCE CCO[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CN 846172979 ONLQKPQXNHZKOD-UKRRQHHQSA-N 306.410 0.817 10 10 DCCE O=C1N[C@@]2(C(=O)NCCc3ccc(O)c(O)c3)C[C@H]3C[C@@H]1[C@H]2C3 845833967 QPKGLCQHQOHRBU-AEMSQSNESA-N 316.357 0.671 10 10 DCCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(OC)cc2O)O1 861490578 WYNONASVGWANAP-OLZOCXBDSA-N 309.318 0.738 10 10 DCCE O=C1N[C@]2(C(=O)NCc3cc(O)ccc3O)C[C@H]3C[C@@H]1[C@H]2C3 1303225874 QCTSQRVMXUHZIP-NJWMAWPNSA-N 302.330 0.629 10 10 DCCE C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1CN 1332117684 XWHPFGBGCPOYAR-RISCZKNCSA-N 317.389 0.820 10 10 DCCE CCOC(=O)[C@@H](CC(=O)NCc1cc(O)ccc1O)C(C)=O 1558175265 KFVCTYFSMOLSEK-LBPRGKRZSA-N 309.318 0.872 10 10 DCCE O=C(CNC(=O)c1ncccc1O)NCc1c(O)cccc1O 1558534868 YOQNYUGSARDAEP-UHFFFAOYSA-N 317.301 0.245 10 10 DCCE CS(=O)(=O)N1CCC[C@H](NCc2cccc(O)c2O)C1 400229014 QUHXNFSHRCJQBB-NSHDSACASA-N 300.380 0.611 10 10 DCCE NC(=O)COCCNCc1cc(Br)cc(F)c1O 715744523 FCOBZTYUGIIDMG-UHFFFAOYSA-N 321.146 0.885 10 10 DCCE COCn1nccc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 2174000826 FZNQWACBYJTLCI-VIFPVBQESA-N 300.344 0.950 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCc4cncn4C3)c2n1 2062554009 ZOKWMNHPVCFPFE-JTQLQIEISA-N 312.333 0.685 10 10 DCCE CCc1nccn1CCNC(=O)c1cnn2c(O)cc(C)nc12 2064717681 PQABFCJBUAOHFI-UHFFFAOYSA-N 314.349 0.932 10 10 DCCE COC(=O)[C@H](C)CS(=O)(=O)NCc1cc(N)ccc1O 2183508182 QOHDIEWLNSPYJJ-MRVPVSSYSA-N 302.352 0.203 10 10 DCCE COC1(C(N)=O)CN(c2ccc(CO)c(Br)c2)C1 2042973625 BJIPNIATZMSHKF-UHFFFAOYSA-N 315.167 0.632 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)[C@H](OC)C(=O)O)cc1 902017225 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315.373 0.573 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C2CS(=O)(=O)C2)C1 1912162866 BOYCGBIQWVREFY-SECBINFHSA-N 322.412 0.526 10 10 DCCE COc1nsc(OC)c1[C@H](NCCCN=[N+]=[N-])C(N)=O 1912206366 SOQBTNJEMUSTKL-ZETCQYMHSA-N 300.344 0.977 10 10 DCCE CCn1cc(NC(=O)Cc2ccc(O)c(O)c2)c(C(N)=O)n1 1472461081 XRXVXSGUKJEEKA-UHFFFAOYSA-N 304.306 0.594 10 10 DCCE C[C@@H](NCCO)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1700433138 YSVCUXOSSBJRJS-NXEZZACHSA-N 307.354 0.938 10 10 DCCE COc1cccc(CNC(=O)NCCCc2cnn(C)n2)c1O 1470261140 GKRMEGAFOJTBRL-UHFFFAOYSA-N 319.365 0.961 10 10 DCCE O=C(NCc1c(O)cccc1F)[C@H]1CCc2nnc(O)n2C1 1645050545 MTVNIFSEJBDGMQ-QMMMGPOBSA-N 306.297 0.707 10 10 DCCE CCS(=O)(=O)N1CCN(C(=O)Oc2ccc(N)cc2)CC1 1858628983 MNUAVDICUORKAX-UHFFFAOYSA-N 313.379 0.735 10 10 DCCE CN(C)[S@@](C)(=O)=NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2167403619 LLMZZDDFWJDWDM-LXGOIASLSA-N 301.368 0.069 10 10 DCCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@H](O)C2)cc1Cl 2234098597 UUBIAPLTLYBEMN-FZZIBODNSA-N 300.786 0.654 10 10 DCCE 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C[C@@H](NCCNS(=O)(=O)C1CC1)c1c(O)cccc1O 2158554057 RQOAFUDFZHYWNP-SECBINFHSA-N 300.380 0.830 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc(F)c(F)c1O 703286106 NADSTSYRNSAPMF-NXEZZACHSA-N 307.318 0.572 10 10 DCCE CC(C)(C)S(=O)(=O)C[C@](C)(NCCCN=[N+]=[N-])C(N)=O 2170538614 MDUAVJCOIZRQJS-NSHDSACASA-N 305.404 0.734 10 10 DCCE O=C(c1cccc(O)c1O)N1CC(S(=O)(=O)C(F)F)C1 2206680254 INDSZAUUZMFFRG-UHFFFAOYSA-N 307.274 0.560 10 10 DCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1C(=O)CSCC1=O 128374917 CUUBLQRBLIQLMP-MRVPVSSYSA-N 311.315 0.196 10 10 DCCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 274883403 DJLLHCMGKJEUIO-ZETCQYMHSA-N 317.319 0.641 10 10 DCCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 2162677029 SCKMLVDXQATRKP-NEPJUHHUSA-N 300.355 0.410 10 10 DCCE NS(=O)(=O)C1(CNCc2cc(F)cc(F)c2O)CCC1 721541938 LFJHLXRIIXLKLJ-UHFFFAOYSA-N 306.334 0.971 10 10 DCCE C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 844783005 PXLYVUCKGRJYAE-SSDOTTSWSA-N 316.335 0.309 10 10 DCCE 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0.453 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H](NC(N)=O)C2)cc1 762926338 RLTVNYKXKHKCIJ-CYBMUJFWSA-N 319.409 0.111 10 10 DCCE C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccccc1O 790603487 LRWVUSYTARRLJE-MRXNPFEDSA-N 302.330 0.621 10 10 DCCE OCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(Br)c1 698122780 KVNCNWTWJSBJSP-ZJUUUORDSA-N 302.168 0.873 10 10 DCCE Cc1nnc2n1C[C@H](C(=O)NCc1c(O)cccc1O)CC2 1178910343 CQYKHFORAFVICE-SNVBAGLBSA-N 302.334 0.877 10 10 DCCE CS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1556105302 KGNLYCCCCVRHLZ-NSHDSACASA-N 313.375 0.676 10 10 DCCE COc1ccc(Br)c(CNC[C@H](O)CO)c1O 1964020904 RYMGBQYWDOQXCS-ZETCQYMHSA-N 306.156 0.606 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCc1ccc(N)cc1 1993266201 DDKKHCTYGONRAF-CYBMUJFWSA-N 323.393 0.813 10 10 DCCE NC(=O)NC1CN(c2ccc(CO)cc2Br)C1 1999573028 RSUGUIJRICPDOR-UHFFFAOYSA-N 300.156 0.798 10 10 DCCE COc1ccc([C@@H](C)NCCCNS(N)(=O)=O)c(O)c1 2157527929 GBTKSOKXBOBYFX-SECBINFHSA-N 303.384 0.235 10 10 DCCE CCOC(=O)CCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 49064050 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319.365 0.002 10 10 DCCE COCC(COC)S(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912191067 MUFMCIIGIURIMR-SNVBAGLBSA-N 306.388 1.000 10 10 DCCE C[C@@H](NC(=O)NCCCCS(N)(=O)=O)c1ccccc1O 1673140901 ZFHVNYIHWONWHV-SNVBAGLBSA-N 315.395 0.821 10 10 DCCE CN1CCCc2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)ccc21 155171792 OJFYFCVVDTVABG-LBPRGKRZSA-N 316.361 0.283 10 10 DCCE CN(C)c1ccc([C@@H](O)[C@H](N)CS(=O)(=O)N(C)C)cc1 2148716096 AOHDCJRLIWNTDH-CHWSQXEVSA-N 301.412 0.005 10 10 DCCE COC[C@@](O)(CO)CNCc1cccc(Br)c1O 2040782714 IMMZEGQICCUCEX-LBPRGKRZSA-N 320.183 0.614 10 10 DCCE COC[C@@](O)(CO)CNCc1cc(Cl)cc(OC)c1O 2158620138 XVERZBNQVAGIKD-ZDUSSCGKSA-N 305.758 0.514 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCC(=O)N(C)C3)c2n1 2062249706 NLLXZIRYZAPERI-JTQLQIEISA-N 317.349 0.436 10 10 DCCE C[C@@H](C(=O)N[C@H](C)C(=O)C=[N+]=[N-])N1C(=O)c2ccccc2C1=O 4843837 NMOBLFPBMXXKCB-BDAKNGLRSA-N 314.301 0.046 10 10 DCCE CN1CCN(c2ccc(CN3CCC(CO)(CO)C3)cc2)CC1 827475095 RKNHHUSZJCWEQC-UHFFFAOYSA-N 319.449 0.615 10 10 DCCE COc1cccc(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c1O 845834070 QGKXLGTYICWYCC-PYBISEQSSA-N 316.357 0.932 10 10 DCCE CCO[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)CN(C)C 927866006 DMOPDUZWQXWUER-CYBMUJFWSA-N 308.382 0.290 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNCCc2nnnn2C)c1O 775051803 QBZQQKHCPWXLPM-UHFFFAOYSA-N 308.298 0.165 10 10 DCCE COC(=O)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2126236586 DHWHRNMGPGUNKR-UHFFFAOYSA-N 300.321 0.275 10 10 DCCE C[C@](NCCCN=[N+]=[N-])(C(N)=O)C1CCS(=O)(=O)CC1 1912188205 OBPQCFOAWCFVDC-LLVKDONJSA-N 303.388 0.345 10 10 DCCE [N-]=[N+]=N[C@H]1[C@H](N=[N+]=[N-])[C@H](CO)O[C@@H]1n1cnc2c(N)ncnc21 28539280 WQZLKYFRGKFHEZ-AKEPGGOCSA-N 317.273 0.656 10 10 DCCE CN1CC(=O)N(CCCC(=O)NCc2cccc(O)c2O)C1=O 1644708874 UGJUUMDCAUTBLO-UHFFFAOYSA-N 321.333 0.388 10 10 DCCE COc1ccc(O)c(CNCCNS(=O)(=O)C2CC2)c1 1964610983 YHWJOSPURGAAAO-UHFFFAOYSA-N 300.380 0.572 10 10 DCCE C[C@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1O 2146930776 YOGOUPOWWWTZGA-JTQLQIEISA-N 302.396 0.773 10 10 DCCE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1ccc(O)c(O)c1 2151089461 BAPQSRPDEFALHB-QMMMGPOBSA-N 302.352 0.108 10 10 DCCE COC(=O)CCN(C)S(=O)(=O)NCc1ccc(N)cc1 2162461455 POARQLBREKJVSB-UHFFFAOYSA-N 301.368 0.098 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCSC[C@@H]2CO)cc1 387891223 OBGBKTAXRILJOQ-LBPRGKRZSA-N 302.421 0.508 10 10 DCCE [N-]=[N+]=NCC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 2174350990 HYQKUWPBVCPXHL-UHFFFAOYSA-N 322.412 0.574 10 10 DCCE C[C@H](NC(=O)COc1ccc(N)cc1)[C@@H](C)S(C)(=O)=O 2170599890 IRETXSWOKMVLCY-VHSXEESVSA-N 300.380 0.585 10 10 DCCE C[C@H](N[C@H]1COC[C@@H]1S(C)(=O)=O)c1cc(O)ccc1O 2207465322 LZVCLXYDHRMLMJ-QWRKXWFKSA-N 301.364 0.560 10 10 DCCE O=C(O)CCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168291 OFRMBQWSGNDOMY-UHFFFAOYSA-N 304.280 0.907 10 10 DCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2289497141 BMDYJPSHEBYRNX-GHSKTYPESA-N 301.770 0.544 10 10 DCCE CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCN(CCO)CC1 62460744 UEYNGMWCCSARHL-HNNXBMFYSA-N 306.410 0.596 10 10 DCCE 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DCCE COCCN1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1558174369 KTTYFNCBXAOBQX-NSHDSACASA-N 308.334 0.209 10 10 DCCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCC(=O)N2)cc1C 1493770522 YRZLOYLOSWEFQJ-AWEZNQCLSA-N 319.405 0.830 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)CNCCF)cc1 1497122367 RUZKJECFTGHLLL-LLVKDONJSA-N 311.317 0.499 10 10 DCCE O=C(NCc1c(O)cccc1F)NCc1nnc2n1CCOC2 1682016295 KRCLPKQCFZOWPW-UHFFFAOYSA-N 321.312 0.652 10 10 DCCE C[C@@H](O)C(C)(C)NS(=O)(=O)CCOc1ccc(N)cc1 144774055 PVSTVDXYWQKGJQ-SNVBAGLBSA-N 302.396 0.726 10 10 DCCE CCCNC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158752926 QNLYVBCBRQCMET-UHFFFAOYSA-N 301.368 0.687 10 10 DCCE CN(CCN(C)S(C)(=O)=O)c1c(F)cc(CN)cc1F 2146934710 FMOFFUPFWSESMK-UHFFFAOYSA-N 307.366 0.751 10 10 DCCE C[C@@H](c1c(O)cccc1O)N1CC[C@@H](NS(C)(=O)=O)C1 703140021 VIDDPTZODYOJAL-VHSXEESVSA-N 300.380 0.782 10 10 DCCE OCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 1909055690 PNVPPMXIXVDQDI-NEPJUHHUSA-N 302.168 0.873 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(CO)CO 133627678 RTQWCCLSLOVUIL-UHFFFAOYSA-N 322.405 0.473 10 10 DCCE Cc1cc(C(=O)NC[C@@H]2CNC[C@@H]2O)c(C)n1-c1ccccn1 262379753 WYOWWACLZWSTHZ-ZFWWWQNUSA-N 314.389 0.799 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 276518784 CDNPQUHYCTVPOQ-SSDOTTSWSA-N 318.326 0.001 10 10 DCCE COc1cccc(CNC(=O)NCCCc2ncn(C)n2)c1O 827712289 BHRPCHPMYVLXRD-UHFFFAOYSA-N 319.365 0.961 10 10 DCCE COC(=O)c1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)o1 848639447 URHVMISCOBPDAT-UHFFFAOYSA-N 306.274 0.808 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1 855227275 WXCYGZGSJTZWOW-FZMZJTMJSA-N 303.362 0.526 10 10 DCCE COc1ccc2c(c1)NC1(CCNCC1)CN2[C@@H](C)C(N)=O 76934526 KXQPOTCUJHVNHV-NSHDSACASA-N 304.394 0.923 10 10 DCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]2N1 1446079048 WNEBQLAKFNMGDG-RYUDHWBXSA-N 304.346 0.910 10 10 DCCE Cc1ccc(C(=O)NCCCn2ccc(O)nc2=O)c(O)c1O 1648475531 BWUWPRUTZXHXPA-UHFFFAOYSA-N 319.317 0.489 10 10 DCCE CC1(C)NC(=O)N(CC(=O)NCc2c(O)cccc2O)C1=O 1652623618 XVZDMHBHHCNQIW-UHFFFAOYSA-N 307.306 0.044 10 10 DCCE Nc1cc2c(cc1N1CCC[C@H]1C1OCCO1)NC(=O)CO2 2089614666 XKAFZTDIUNACFF-NSHDSACASA-N 305.334 0.941 10 10 DCCE COC(=O)[C@H](N)CS(=O)(=O)Nc1c(C)cc(O)cc1C 2286031658 SADMWFYGUQUNAD-SNVBAGLBSA-N 302.352 0.251 10 10 DCCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC[C@@H]2N)s1 2350654900 HLPATVIBAMWJFI-KWQFWETISA-N 303.409 0.526 10 10 DCCE Nc1ccc(OC[C@@H](O)CSc2nc(N)cc(=O)[nH]2)cc1 51328572 WOPAHBRAKGXIJD-SECBINFHSA-N 308.363 0.466 10 10 DCCE COc1ccc(O)c(CN2C[C@H](N3CCOCC3)[C@H](O)C2)c1 211014313 TWHYRNUWXJULRC-GOEBONIOSA-N 308.378 0.278 10 10 DCCE CCN(CC)c1ccc(CNC(=O)C(=O)N2CC(CO)C2)cc1 283908655 GQJYNBFQYQQFHP-UHFFFAOYSA-N 319.405 0.600 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(OC)c(OC)cc1O 826967369 OUIVUIIZPHSASO-IINYFYTJSA-N 311.334 0.830 10 10 DCCE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1cccc(O)c1O 869990968 BIDDBEKJUSAWRX-VFZGTOFNSA-N 309.318 0.890 10 10 DCCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 931146933 MVJZLTPARKSBBD-HNNXBMFYSA-N 323.368 0.755 10 10 DCCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)NCC(F)(F)F 1136341071 NZOYZZZKKZBPML-SSDOTTSWSA-N 320.267 0.824 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CN)cc2Cl)C1 705811474 HBTFDJBUPQYAOZ-SNVBAGLBSA-N 303.815 0.927 10 10 DCCE C[C@H](N)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332128654 RWLRTURNZYSZQP-RYUDHWBXSA-N 317.389 0.820 10 10 DCCE O=C(O)[C@@H]1CCCN1C(=O)CCN1C(=O)CSC1=S 1865765343 BDKBFXMKNLBWHI-ZETCQYMHSA-N 302.377 0.312 10 10 DCCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCO2)cc1C 1715576324 PZNHLVXEHVZGPK-ZBFHGGJFSA-N 322.405 0.749 10 10 DCCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1CCO 1633547050 LOMKCLKIZJEKPO-NSHDSACASA-N 319.365 0.988 10 10 DCCE CC[C@H]1SC(=S)N(CC(=O)NC[C@H]2CCCO2)C1=O 11635673 JPYMORDXHVCNFH-RKDXNWHRSA-N 302.421 0.921 10 10 DCCE CS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2179926648 OUKTUEPYRDBQMM-LBPRGKRZSA-N 318.420 0.218 10 10 DCCE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 688510432 FKROGELNYBOLEO-JTQLQIEISA-N 320.436 0.464 10 10 DCCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)(C)N 2197099878 VOLITDSNHHBICF-SNVBAGLBSA-N 301.412 0.693 10 10 DCCE CN(Cc1c(O)cccc1Br)CC1(O)CNC1 2250103183 HZEDBWUTXDEUBA-UHFFFAOYSA-N 301.184 0.921 10 10 DCCE CC(=O)N1CCN(c2ccc(CN3CCNCC3)cc2)CC1 108244818 ZDLHSESQACEPSD-UHFFFAOYSA-N 302.422 0.760 10 10 DCCE COc1cc2c(c(OC)c1OC)CN(C(=O)CN)CCN2C 527432082 PNQORQYOAXHHFF-UHFFFAOYSA-N 309.366 0.450 10 10 DCCE Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1ccc(O)c(O)c1 1150376694 BHWCUEHBCYOPTC-UHFFFAOYSA-N 303.318 0.692 10 10 DCCE Cn1nnnc1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 1305047877 VVSJRPKUSLYGPZ-FNORWQNLSA-N 303.322 0.384 10 10 DCCE COc1ccc(-n2nnnc2CNCC[C@H](C)NC(C)=O)cc1 1320318644 QOXHPOFDWLLGOH-NSHDSACASA-N 318.381 0.675 10 10 DCCE O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1ccc(O)cc1O 1630301876 LBWQAFQMUBRAEQ-JTQLQIEISA-N 313.375 0.929 10 10 DCCE O=C(NC1CN(c2ccncn2)C1)c1c(F)ccc(O)c1O 1654780027 NNQQWYLISUYRRE-UHFFFAOYSA-N 304.281 0.646 10 10 DCCE O=C(O)CCCCCNC(=O)CCN1C(=O)CSC1=S 1865765215 VWLJTLYBKCBTPU-UHFFFAOYSA-N 318.420 0.998 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN1CCS(=O)(=O)N1CCOCC1 2179615142 CELZODCPMQRLJO-NSHDSACASA-N 303.388 0.423 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@](C)(N(C)C)C3)c2n1 2062240257 RFZKEGREPJPIJB-OAHLLOKOSA-N 303.366 0.910 10 10 DCCE CC(C)(C)OC(=O)N1C[C@]2(C)C[C@]2(COc2nnc(=N)[nH]n2)C1 2210646070 KURUWJJVWBRNMF-UONOGXRCSA-N 322.369 0.705 10 10 DCCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)CCN1 2103305950 VKYBNJKPYPJNJL-QMMMGPOBSA-N 305.787 0.996 10 10 DCCE O=C1N=C(S)N(C2CC2)C(=O)/C1=C\NCc1cccnc1 103104385 UWQTXNMCGBWQAB-FLIBITNWSA-N 302.359 0.872 10 10 DCCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CN)c(Br)c1 228153824 JJHUJJSOOFYCGR-ZETCQYMHSA-N 312.167 0.759 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 808540513 WQQZMPZJALBXHM-JTQLQIEISA-N 311.334 0.945 10 10 DCCE CO[C@H]1CNC[C@@H]1S(=O)(=O)N(C)Cc1ccccc1O 722274795 IJEWJRLBEBERHA-STQMWFEESA-N 300.380 0.141 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](F)C2)c1 857521123 BDWHMAYGRWYWET-MRVPVSSYSA-N 302.327 0.948 10 10 DCCE CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@H](N)CC(C)C 1903846560 YZRCHOFKIPHQBW-NEPJUHHUSA-N 312.370 0.058 10 10 DCCE CNC(=O)C1(NC(=O)c2ccc(C)c(O)c2O)CCOCC1 1155520711 HPWNWWMBCDKLIN-UHFFFAOYSA-N 308.334 0.431 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)Nc1ncc[nH]1 1161016806 JWRNDDNAOFBCGK-DUXPYHPUSA-N 316.317 0.979 10 10 DCCE C[C@]1(CN)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261876104 ZCUAOMAKLFYNJZ-MRXNPFEDSA-N 303.362 0.432 10 10 DCCE O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1c(O)cccc1O 1639292977 YGXLKUFILXRYLB-SNVBAGLBSA-N 313.375 0.929 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@H]1NCc1cc(Cl)ccc1O 2142467440 RQXVUVUYLOZOJN-PWSUYJOCSA-N 305.783 0.947 10 10 DCCE CC[C@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(N)cc1 2146291436 WNZVDOPBNQLBQQ-GFCCVEGCSA-N 320.436 0.511 10 10 DCCE CCOc1cccc(CNCCN(C)S(C)(=O)=O)c1O 692521093 BHWPYRXRPVTLHX-UHFFFAOYSA-N 302.396 0.772 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@]4(CCOC4)C3)c2n1 2063960329 PKYCITQALOAVDW-OAHLLOKOSA-N 318.333 0.375 10 10 DCCE O=[N+]([O-])c1cc(N2CCCS(=O)(=O)CC2)ccc1CO 2188574381 RXYDAVHSLJVNND-UHFFFAOYSA-N 300.336 0.712 10 10 DCCE O=C(O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(O)cc1O 126366660 RMPDKOTXPIQSJY-SNVBAGLBSA-N 315.347 0.172 10 10 DCCE COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H]1C 227814761 WHLUOMVTGDYVMS-GXFFZTMASA-N 312.391 0.840 10 10 DCCE CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCCO)cc1 283721586 BERUHZNKKLLQFV-UHFFFAOYSA-N 321.421 0.990 10 10 DCCE CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)NC1=O 821841423 AUKMMTCOGZNUEY-AWEZNQCLSA-N 302.378 0.927 10 10 DCCE COCCN1CCCN(C(=O)Cc2ccc(N)cc2)CC1=O 832128558 IDHQLFGWEFPWQQ-UHFFFAOYSA-N 305.378 0.519 10 10 DCCE COc1ccc(N2CCN(C[C@H](O)Cn3cnnc3)CC2)cc1 758184698 GPDTYYZDPSYZAS-HNNXBMFYSA-N 317.393 0.470 10 10 DCCE C[C@H]1CN(CCO)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1629798778 NAICFFCHSIBUBW-NSHDSACASA-N 319.365 0.988 10 10 DCCE Cc1nc(O)nc(O)c1CCC(=O)NCc1c(O)cccc1O 1558534914 ZTFPFCFAJFFPKW-UHFFFAOYSA-N 319.317 0.856 10 10 DCCE Cn1cnnc1[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 1641930422 IPJIYTVBJWMOMP-ATPLWMGHSA-N 304.306 0.089 10 10 DCCE CCC[C@@H](C(=O)NCc1c(O)cccc1O)S(N)(=O)=O 1647269851 MLKQQTRWCPKFPB-NSHDSACASA-N 302.352 0.171 10 10 DCCE Cc1cc(O[C@H]2CCS(=O)(=O)C2)ccc1N1CCNCC1 161690822 CJUHDGZJXYANIS-AWEZNQCLSA-N 310.419 0.971 10 10 DCCE CC(=O)Nc1cccc(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c1 169996161 IYASCNYDMOWUDK-NSHDSACASA-N 304.306 0.093 10 10 DCCE CO[C@@H]1COC[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2154127657 OPLCWYQZBRWOCN-DGCLKSJQSA-N 300.380 0.350 10 10 DCCE Nc1cc2c(cc1N1CCCC3(C1)OCCO3)NC(=O)CO2 388714305 YWODTNIFYXCPND-UHFFFAOYSA-N 305.334 0.943 10 10 DCCE O=C(O)[C@H](NCc1c(O)cccc1Cl)C1CS(=O)(=O)C1 2197526217 RJDUEVCTCCLLEE-LLVKDONJSA-N 319.766 0.633 10 10 DCCE Cc1ccc(CNCCS(N)(=O)=O)c(O)c1Br 2307572524 YSPHGXYFXKMXRB-UHFFFAOYSA-N 323.212 0.841 10 10 DCCE CN1C(=O)/C(=C/Nc2ccc(C(=O)O)cc2)C(=O)NC1=S 104929030 LTJKTXWJHMPWOF-RMKNXTFCSA-N 305.315 0.554 10 10 DCCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cscn1 62354092 PVOMBBGCPRWVRW-MRVPVSSYSA-N 308.315 0.980 10 10 DCCE O=C(O)[C@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 70330066 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318.167 0.099 10 10 DCCE COc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1CO 2204553136 IIAWQVHKIZHXIP-UHFFFAOYSA-N 302.396 0.515 10 10 DCCE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1ccccc1O 109773712 TZCCKPVPKJRWQH-GFCCVEGCSA-N 319.405 0.950 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3COCCN3)C2)cc1 851639326 DAOVTYXYFHEPJL-KBPBESRZSA-N 319.405 0.769 10 10 DCCE CN(CC(=O)NCc1ccc2cccnc2c1O)S(C)(=O)=O 862028893 NZQWFCHYFGICMY-UHFFFAOYSA-N 323.374 0.448 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CNC[C@]2(C)C1 1119003276 KUQNGEZDNPWNET-SUMWQHHRSA-N 317.389 0.419 10 10 DCCE CSCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912199681 WAIOZMXQVYXYHH-RKDXNWHRSA-N 300.388 0.935 10 10 DCCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCCc1ccc(N)cc1 1990014625 AWAQXBAXDGGRTR-CYBMUJFWSA-N 323.393 0.813 10 10 DCCE CNCCN(C)S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2160301936 RBLONKXXCRQJQA-UHFFFAOYSA-N 304.328 0.108 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCC[C@@H]3CCCN3C)c2n1 2064054490 RPIZVJNPHIKAMO-NSHDSACASA-N 303.366 0.957 10 10 DCCE 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0.534 10 10 DCCE NCCCCCS(=O)(=O)NCCc1ccc(O)c(O)c1 2148009635 SERZRWQTILJSCS-UHFFFAOYSA-N 302.396 0.689 10 10 DCCE C[C@@](C[C@@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2156787121 PBFWXDUVKQWPAT-ONGXEEELSA-N 303.388 0.488 10 10 DCCE C[C@@H](O)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2195316077 FTFFGHKNRQFWTC-GMSGAONNSA-N 312.313 1.000 10 10 DCCE CSc1ncc(CNS(=O)(=O)N(C)CCCN)s1 2257096121 GPNSEULEOQFLNM-UHFFFAOYSA-N 310.470 0.480 10 10 DCCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=CNCCO)C2=O)c1 2296166914 FNPSVFKDKUCLFF-UHFFFAOYSA-N 303.318 0.352 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1 70490838 VNOAMKYURSGKSP-KBPBESRZSA-N 314.407 0.871 10 10 DCCE O=S1(=O)CCC(S(=O)(=O)NCc2ccccc2O)CC1 158574300 RQUYOEKERVDWTB-UHFFFAOYSA-N 319.404 0.389 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)[C@@H](C)CO)nc12 273908744 AGWACVOEPUEFQN-UWVGGRQHSA-N 322.365 0.718 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 859942986 LZCNLWXNFVLTHT-CYBMUJFWSA-N 303.314 0.850 10 10 DCCE CC(=O)c1cc(F)cc(CN(C)C2CS(=O)(=O)C2)c1O 931241518 QNENMXDWCZXLPF-UHFFFAOYSA-N 301.339 0.963 10 10 DCCE CCn1ncc(CNC(=O)C(=O)N(C)Cc2ccccc2O)n1 1118821475 ZGVYHWVWSXWTOJ-UHFFFAOYSA-N 317.349 0.278 10 10 DCCE C[C@H](O)C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1261872335 NUUCORZUZYVUTH-NSHDSACASA-N 318.373 0.854 10 10 DCCE C[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCS1(=O)=O 1304017994 AMVGSEYEZBQAPN-GXSJLCMTSA-N 313.375 0.722 10 10 DCCE Cn1nncc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1597782536 HYHSDEWWSNNIJO-UHFFFAOYSA-N 311.323 0.145 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CCC(O)CC2)C1 1912161588 LBQZIPAFTNZYLW-SNVBAGLBSA-N 303.388 0.710 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCN(C)C3=O)c2n1 2065178141 VTKCTMMGVXTLNT-JTQLQIEISA-N 303.322 0.046 10 10 DCCE Nc1ccc(OCCCN2CCS(=O)(=O)CCO2)cc1 2146461019 UDSQFJJHDPUZTG-UHFFFAOYSA-N 300.380 0.700 10 10 DCCE C[C@H](NCCNS(=O)(=O)C(F)F)c1c(O)cccc1O 2159557868 GLGUVJQPZIPCCW-ZETCQYMHSA-N 310.322 0.890 10 10 DCCE CN([C@H]1CCN(Cc2c(O)cccc2F)C1)S(C)(=O)=O 2160782391 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319.174 0.836 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1c(O)cccc1F 2160803971 LEPHGAYGJOTRFQ-NWDGAFQWSA-N 300.355 0.102 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCN[C@@H]1CCc2cccc(O)c21 925789992 ZPANPZBCAQNBGH-QWHCGFSZSA-N 310.419 0.746 10 10 DCCE O=C1OC[C@@]2(CNCc3ccc(F)c(F)c3O)COCCN12 864053352 IYOGUAPDCMADJT-CQSZACIVSA-N 314.288 0.981 10 10 DCCE CN1CCN(c2ccc(CNCc3cn(C)nn3)cc2)CC1 782969030 TYHJCRHKJIAXMB-UHFFFAOYSA-N 300.410 0.857 10 10 DCCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCOCC1 1445239421 JZYNEUHEJRUARU-LBPRGKRZSA-N 322.361 0.394 10 10 DCCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CC(N)=O)C2)cc1C 1731440504 NLKDYSHNYKKQTC-JOCQHMNTSA-N 305.378 0.616 10 10 DCCE CC[C@H](C)[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857878932 OUROFDWPGDVDGI-KWQFWETISA-N 318.337 0.474 10 10 DCCE Cc1cc(NS(=O)(=O)[C@@H](C)CO)ccc1NS(C)(=O)=O 2157800767 XPODVYJKKWSYBT-VIFPVBQESA-N 322.408 0.489 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 2179616941 DBMLCHBSYJOKKP-UWVGGRQHSA-N 301.372 0.064 10 10 DCCE [N-]=[N+]=NC[C@H]1CCN(C(=O)NC2CCS(=O)(=O)CC2)C1 2197934083 VKZYXBWMBQCQFZ-SECBINFHSA-N 301.372 0.905 10 10 DCCE COc1ccc(N2CCN(C(=O)CNC(=O)C(C)=O)CC2)cc1 243070338 IKSUYMHYUWHGRK-UHFFFAOYSA-N 319.361 0.049 10 10 DCCE O=C1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCN1 255213381 QHTYADNQEJWBNK-UTCJRWHESA-N 315.373 0.495 10 10 DCCE C[C@@H]1CN(Cc2cc(F)ccc2O)CCN1S(C)(=O)=O 827271564 QXXNGSJCAHAKTG-SNVBAGLBSA-N 302.371 0.997 10 10 DCCE CC(C)(O)CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 1329479057 QLSFYIJTYVPEJU-UHFFFAOYSA-N 318.373 0.996 10 10 DCCE CN(C)CCN1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1593873723 YLRJGQYDFSDMMV-GFCCVEGCSA-N 321.377 0.124 10 10 DCCE CC(=O)C(=O)[C@](C)(O)C[C@H]1COCCN1C(=O)OC(C)(C)C 1919187830 LOHNYWBLVPAGOD-XHDPSFHLSA-N 315.366 0.922 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCC[C@H]3CCCN3C)c2n1 2064054489 RPIZVJNPHIKAMO-LLVKDONJSA-N 303.366 0.957 10 10 DCCE Cn1c(O)nc(Sc2ncc(CNC3CC3)s2)nc1=O 2158218580 MEHQGJFTMQKNNI-UHFFFAOYSA-N 311.392 0.741 10 10 DCCE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2COc1nnc(=N)[nH]n1 2210654963 AVKHKKFPNVSSLZ-LPEHRKFASA-N 322.369 0.561 10 10 DCCE CCCN(Cc1ccccc1O)C(=O)CN1CC(=O)NC1=O 264907307 YKMABDNKBIVWMT-UHFFFAOYSA-N 305.334 0.683 10 10 DCCE COCC1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1 738062236 GWDLCQAOHXDKLC-UHFFFAOYSA-N 320.349 0.992 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CCC(=O)N(C)CC2)c1O 827359969 XPDHSINJNSFOFI-UHFFFAOYSA-N 309.322 0.973 10 10 DCCE COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)CO)ccc21 1158188742 DZYNTZARUHCIFG-CQSZACIVSA-N 320.389 0.988 10 10 DCCE COCCN(CCF)C(=O)C(=O)N(C)Cc1ccccc1O 1327776084 HELGMLZQEYNRPX-UHFFFAOYSA-N 312.341 0.795 10 10 DCCE O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cc(O)ccc1O 1455356087 GWNSUEWWGMLAJS-UHFFFAOYSA-N 306.278 0.909 10 10 DCCE COC(=O)C[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCOC1 1467289356 UOLDKKBIUOXIII-MRXNPFEDSA-N 323.345 0.869 10 10 DCCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](CO)NC(N)=O 1540567193 CTJHKNXVBOSGEM-CQSZACIVSA-N 320.393 0.274 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)Cn2cncn2)cc1C 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0.354 10 10 DCCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 2294130937 PCZCWXWFBSYWAE-UHFFFAOYSA-N 321.245 0.401 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 234381561 UPBDJKDFHOLVJD-TXEJJXNPSA-N 301.184 0.710 10 10 DCCE CC(=O)N1CCN(C(=O)N(C(C)=O)c2ccc(N)cc2)CC1 243146451 JLWNYIYPXGHURM-UHFFFAOYSA-N 304.350 0.906 10 10 DCCE N[C@]1(CO)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 923473205 KRMHBOGVUZVPPF-QGZVFWFLSA-N 305.422 0.809 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)cc1 855233506 HZUWCWCIAVAFGR-QWHCGFSZSA-N 317.389 0.916 10 10 DCCE C[C@]1(CC(=O)NCc2cccc(O)c2O)CCS(=O)(=O)N1 1153798650 UNFGNOAQUDDTJN-CYBMUJFWSA-N 314.363 0.186 10 10 DCCE COc1ccc(CNCCN(C)C(=O)CNC(C)=O)cc1C 1266627095 KDDJCOIANYJFJL-UHFFFAOYSA-N 307.394 0.688 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1c(O)nnc1O 1467840149 JJRLMXHEBVFGRF-UHFFFAOYSA-N 313.310 0.197 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C(=O)C2CC2)CC1 1464752585 YCQDVCQUNRVIRJ-UHFFFAOYSA-N 304.346 0.721 10 10 DCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CN1CCN(C)CC1 1585137202 IBPJWIPHHXFBFY-ZDUSSCGKSA-N 321.421 0.640 10 10 DCCE C[C@]1(NC(=O)CN2CC[C@H](N=[N+]=[N-])C2)CCS(=O)(=O)C1 1912183895 AYWQFTIVYFXSMG-ONGXEEELSA-N 301.372 0.064 10 10 DCCE CCS(=O)(=O)C[C@@](C)(O)[C@H](N)c1ccc(N(C)C)cc1 2170495155 DWJWMRVQCVDOAL-ZIAGYGMSSA-N 300.424 0.938 10 10 DCCE OCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Br 2311997861 VIDGIOOOMUMNGU-TUAOUCFPSA-N 320.158 0.821 10 10 DCCE C[C@H](NS(=O)(=O)C[C@H]1CNCCO1)c1ccccc1O 866814206 MXGKGHFBIMPELT-WDEREUQCSA-N 300.380 0.361 10 10 DCCE O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1ccncc1 20289600 XQLJGGBKERHJIV-ACCUITESSA-N 318.402 0.662 10 10 DCCE COCCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588406470 DEINEBXPFXFAHN-HYXAFXHYSA-N 306.362 0.902 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)c2cnc(O)n(C)c2=O)c1 754418963 BCEUOJZNWGCDAJ-QMMMGPOBSA-N 319.317 0.691 10 10 DCCE COC(=O)c1ncoc1COCC(=O)NCc1ccccc1O 860234440 TVSINLLTQAGJEV-UHFFFAOYSA-N 320.301 1.000 10 10 DCCE COc1cccc(CNC(=O)NCc2ccc(O)nn2)c1O 1228956756 YGEIHRHTUWCRLK-UHFFFAOYSA-N 304.306 0.896 10 10 DCCE COCCN1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1299734241 AEFHTTBTMRFONC-CYBMUJFWSA-N 308.378 0.867 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCc2cccc(OC)c2O)nn1 1631539998 IZCPDRVLKLWMKD-LLVKDONJSA-N 320.349 0.693 10 10 DCCE COC[C@]1(CO)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1640895937 GCSJOSAFKJUVLS-OICCZTGUSA-N 307.346 0.968 10 10 DCCE C[C@H]1[C@@H](O)CCN1S(=O)(=O)CCOc1ccc(N)cc1 1914429516 FBQKHUBSFRQVJV-GWCFXTLKSA-N 300.380 0.433 10 10 DCCE COC[C@](O)(CCCNC(=O)OC(C)(C)C)C(=O)C(C)=O 1919182989 ASNDSHHPEXIWDM-CQSZACIVSA-N 303.355 0.827 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](CO)C[C@@H](C)C3)c2n1 2063795523 NRKDLIJIVSZXPT-KOLCDFICSA-N 304.350 0.834 10 10 DCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2161136508 VBAWDJLKMCAOIU-DOFRTFSJSA-N 302.356 0.253 10 10 DCCE Cc1cccc(CNS(=O)(=O)N2CCC[C@H](O)C2)c1O 2204619843 GIAOMOAHJSSNLI-LBPRGKRZSA-N 300.380 0.492 10 10 DCCE CNC(=O)CN1CC2(CCNCC2)Nc2cc(OC)ccc21 76934509 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300.380 0.830 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234096035 IFYVYSGUWIITEK-QCZZGDTMSA-N 301.770 0.688 10 10 DCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236169394 YSSBGYSYGYZGOB-LURJTMIESA-N 304.280 0.604 10 10 DCCE CC[C@H](CO)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 276544333 GPSMQDJTZZJUDF-SNVBAGLBSA-N 312.341 0.766 10 10 DCCE CC(=O)C(=O)COC(=O)CCN1C(=O)COc2ccccc21 808497695 VLFZTKFQBNILQJ-UHFFFAOYSA-N 305.286 0.503 10 10 DCCE CN(C)c1ccc([C@H](N)CNC(=O)CCOC2CNC2)cc1 832273312 NGSJEVRRTGTNFR-OAHLLOKOSA-N 306.410 0.247 10 10 DCCE COC(=O)CCN(C)S(=O)(=O)NCc1c(O)cccc1F 921452609 UHFNFLIXHKULQG-UHFFFAOYSA-N 320.342 0.361 10 10 DCCE O=C(c1cnn(C[C@H](O)CO)c1)N1Cc2cccc(O)c2C1 871205673 WYGYZQYYLZVCPW-LBPRGKRZSA-N 303.318 0.098 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CC=C[C@H]2CO)cc1 1331610102 QZKISOXFWBDWFE-AWEZNQCLSA-N 303.362 0.128 10 10 DCCE CN(C)C(=O)Cn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1442848504 SJSOWUAPKIJVFI-UHFFFAOYSA-N 318.333 0.564 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2nc[nH]n2)CC1 1639341895 UPRFYZUIPGIUAX-RQOWECAXSA-N 315.333 0.578 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCn2ncnc21 1630335128 LDIKSSHEVLLWLC-LLVKDONJSA-N 302.334 0.926 10 10 DCCE Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccccc1O 228428988 PDNPMIDLNXPBLM-UHFFFAOYSA-N 300.361 0.929 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 1118440485 YXOKAQUQZBZOBV-BLLLJJGKSA-N 304.346 0.334 10 10 DCCE COC(=O)NCC(=O)N(C)CCNCc1ccc(OC)c(C)c1 1266650586 BBTZSCZRHYCXHW-UHFFFAOYSA-N 323.393 0.908 10 10 DCCE COC1CN(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 1963663604 AVZBQGWDHZLGSH-UHFFFAOYSA-N 303.296 0.288 10 10 DCCE C[C@@H](CO)CS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366851577 XYYFEVQBADIBNY-VIFPVBQESA-N 301.364 0.414 10 10 DCCE C[C@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 271286351 RCZCPHPNBNXFAK-VIFPVBQESA-N 314.363 0.625 10 10 DCCE CN1CCN(c2ccc(CNC(=O)Cn3ccnc3)cc2)CC1 918846632 UCDHKLUPKOJVDS-UHFFFAOYSA-N 313.405 0.951 10 10 DCCE CC(=O)C(=O)COC(=O)C(C)(C)NC(=O)COC(C)(C)C 845381001 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DCCE Oc1c(Br)cccc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309043047 UUSZDRPFUACCJI-SPFNVWMYSA-N 318.167 0.099 10 10 DCCE CN(CCS(C)(=O)=O)C(=O)CCOc1ccc(N)cc1 94297158 HROVTXIRFZEOSC-UHFFFAOYSA-N 300.380 0.541 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CO)cc2Cl)C1 702984786 NHLFPZGWTAGLCN-SNVBAGLBSA-N 304.799 0.960 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cc1 855224361 FSRQQZALBVNAFR-CQDKDKBSSA-N 317.389 0.902 10 10 DCCE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN[C@H]1C 861813737 ZOJRSKQKCGRMRU-GXTWGEPZSA-N 319.405 0.997 10 10 DCCE COc1ccc(N2CCN(C(=O)CCc3nn[nH]n3)CC2)cc1 864470875 SAAHOMZFFAAXPC-UHFFFAOYSA-N 316.365 0.490 10 10 DCCE O=C1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)O1 864984068 FKOBLIZNLAMARQ-CQSZACIVSA-N 304.346 0.845 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCNC2=O)cc1C 1483255361 QBGMBJGUEOSOHS-JSGCOSHPSA-N 319.405 0.734 10 10 DCCE CNC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 1643401697 UNJGRGXPZQHDSA-UHFFFAOYSA-N 309.347 0.971 10 10 DCCE O=C(NCCN1C(=O)CCCC1=O)c1c(F)ccc(O)c1O 1654355678 JIWMPOXBJITBSQ-UHFFFAOYSA-N 310.281 0.506 10 10 DCCE CC1(CCNS(=O)(=O)Cc2ccc(N)cc2)OCCO1 2016998893 RIWYWDNBHWMPBJ-UHFFFAOYSA-N 300.380 0.841 10 10 DCCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234097798 PWBSEJBBNBNEDA-IIMNLJJBSA-N 300.786 0.654 10 10 DCCE CS(=O)(=O)CNC(=O)N1CCc2cc(O)c(O)cc2C1 2366921360 HCZUCRNIUZZFFX-UHFFFAOYSA-N 300.336 0.168 10 10 DCCE CCN1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC1=O 191561630 SOIMHZRSUGXPRL-UHFFFAOYSA-N 304.394 0.490 10 10 DCCE CS(=O)(=O)N1CCN(C(=S)Nc2ccc(N)cc2)CC1 242472078 BSAXZDFDFCVJAN-UHFFFAOYSA-N 314.436 0.543 10 10 DCCE C[C@@H](OC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(N)=O 255436188 BMGXAVZNUPWNAZ-DJFZKKHWSA-N 304.346 0.953 10 10 DCCE CC[C@@H](CO)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 276544329 GPSMQDJTZZJUDF-JTQLQIEISA-N 312.341 0.766 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CCN2C 808524061 XAQBSFZCXAQHJB-UHFFFAOYSA-N 304.302 0.780 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H](CCO)[C@@H](CO)C1 1159698070 QBKUXMHIMIZXEH-WVSCJACDSA-N 307.346 0.560 10 10 DCCE Cc1ccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c(O)c1O 1645969145 YSEKBMFTYADRFM-LLVKDONJSA-N 318.333 0.539 10 10 DCCE CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865764917 HACIUEUWZASGMY-GMSGAONNSA-N 318.420 0.852 10 10 DCCE C[C@H](CCNS(=O)(=O)Cc1ccc(N)cc1)[S@@](C)=O 229778742 CWOCUSSNTBRRJG-MLCYQJTMSA-N 304.437 0.845 10 10 DCCE CC(=O)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)S(C)(=O)=O 1951762040 PEVFHHYDCSJAOJ-JTQLQIEISA-N 321.395 0.861 10 10 DCCE CO[C@]1(CO)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 402931575 JNOIKPWQHCIHDR-CYBMUJFWSA-N 300.380 0.182 10 10 DCCE CCO[C@@H]1C[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)[C@H]1OC 2062610893 ROZWADCFWSMGTI-NQBHXWOUSA-N 320.349 0.666 10 10 DCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CC3(C2)OCCO3)C1 2252847622 MQTWHZBSNPUGDV-SECBINFHSA-N 302.356 0.996 10 10 DCCE COC(=O)C1(CS(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)CC1 2290100061 JXCJVNWOUFITBF-VIFPVBQESA-N 302.356 0.902 10 10 DCCE CCOCCS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 63153462 DDEDRINRRDOLJN-UHFFFAOYSA-N 313.423 0.757 10 10 DCCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H](N)CS(C)(=O)=O 2360521016 WEKPDKGXDKPZNM-MWLCHTKSSA-N 300.380 0.284 10 10 DCCE COc1ccc(N2CCCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1 124240770 HUIRAVFAVQSHFB-GFCCVEGCSA-N 320.393 0.791 10 10 DCCE CCn1nc(C(=O)OCC(=O)C(C)=O)c(=O)c2ccccc21 808518716 GPNGDIFLZRDXKR-UHFFFAOYSA-N 302.286 0.731 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(O)C[C@H]3C2)cc1 852539875 YQFFYDWYTDQVMX-WMLDXEAASA-N 303.406 0.826 10 10 DCCE COC(=O)[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1 930154347 CLYAOJLNBASWLM-QGZVFWFLSA-N 320.389 0.945 10 10 DCCE O=C(COC(=O)[C@H](O)C1CCOCC1)c1ccc(O)c(O)c1 783699897 WZJHQHYONLYREF-CQSZACIVSA-N 310.302 0.611 10 10 DCCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2nnnn2CC1 1312890522 QYRODOYYEIRAED-SECBINFHSA-N 320.328 0.722 10 10 DCCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CO)cc2F)C1 702958220 OAEDCXQWXGVWFH-LLVKDONJSA-N 302.371 0.836 10 10 DCCE NCc1cc(F)c(N2C[C@H](O)C[C@@H]2CO)cc1Br 698177336 BRDCJRCXCVYEKP-RKDXNWHRSA-N 319.174 0.979 10 10 DCCE CNC(=O)CCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1330472784 SBIWPLAVIHMPHY-UHFFFAOYSA-N 319.361 0.219 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)CN3CCOCC3)c2n1 2062486489 REIZVWMNVWHKMF-NSHDSACASA-N 319.365 0.194 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCC23OCCO3)cc1 2071728313 DSRBVSACCCEYHI-CYBMUJFWSA-N 312.391 0.984 10 10 DCCE COc1ccc(O)c(CNC(=O)N[C@H]2CCc3ncnn3C2)c1 114602390 WXWNLRZBDWREKK-NSHDSACASA-N 317.349 0.807 10 10 DCCE O=C(CN1CC(=O)NC1=O)NCc1c(O)ccc2c1CCCC2 266540862 KYRNBBOXVLWHIO-UHFFFAOYSA-N 317.345 0.439 10 10 DCCE CO[C@H](C)CCS(=O)(=O)NCCc1ccc(O)c(O)c1 2165534117 GRFVSDXOMHPFRC-SNVBAGLBSA-N 303.380 0.985 10 10 DCCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@H]32)c(F)c1 2162674094 CFFXQSYHCRSGIR-DGCLKSJQSA-N 300.355 0.410 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 808503278 KEPDVLXEMURADQ-LBPRGKRZSA-N 310.350 0.616 10 10 DCCE Cc1nn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)o1 849983722 GWOURPRDUGXNFL-UHFFFAOYSA-N 304.350 0.869 10 10 DCCE CN1NN=C2C1=NCC[C@@H]2C(=O)NCc1cc(Cl)ccc1O 855023016 PDMHTHQHDAJYIE-JTQLQIEISA-N 321.768 0.886 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3NC[C@@H]4C[C@@H]43)C2)cc1 1329647051 NJBWRJQWGJDIOV-GVAFMPQTSA-N 301.390 0.998 10 10 DCCE COCn1nccc1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2174000825 FZNQWACBYJTLCI-SECBINFHSA-N 300.344 0.950 10 10 DCCE Cc1ccc(CNC(=O)[C@H](O)[C@@H](C)N)c(O)c1Br 2327597576 XVROVVAIAZIPBV-GMSGAONNSA-N 317.183 0.787 10 10 DCCE O=C(O)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O 15261183 PRCRWIWEDONYKC-OSOUNJMWSA-N 309.274 0.545 10 10 DCCE in-vitro C[C@H](CCN(C)C)NS(=O)(=O)CCOc1ccc(N)cc1 70490784 AGZTWVCYZCFEOJ-GFCCVEGCSA-N 315.439 0.907 10 10 DCCE Cn1ncc([C@H](NCCCN=[N+]=[N-])C(N)=O)c1Br 712451183 VELFBXBTXOGZLZ-ZETCQYMHSA-N 316.163 0.999 10 10 DCCE CN(C)c1ccc(CNC(=O)[C@@H](O)Cc2cnn(C)c2)cc1 786705938 ZXTJGGGVGZBJQK-HNNXBMFYSA-N 302.378 0.706 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](CO)[C@@H](O)C3)cc2N1 811838031 PWNJJHNQZGHTSL-PELKAZGASA-N 323.305 0.105 10 10 DCCE COc1cccc(O)c1CN1CCN(c2nccnn2)CC1 862436429 DYWUEWYHJZYFOG-UHFFFAOYSA-N 301.350 0.908 10 10 DCCE C[C@@](O)(Cn1ccccc1=O)C(=O)N1Cc2cccc(O)c2C1 871204483 LFSLQHOGTCHWMM-QGZVFWFLSA-N 314.341 0.847 10 10 DCCE Cc1cc(C)n(CC(=O)NCc2ccc(O)c(O)c2)c(=O)n1 1137443307 KTJFUYWRXIUFLP-UHFFFAOYSA-N 303.318 0.588 10 10 DCCE COC(=O)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1261313244 PPXRYNWCRFUQCP-LBPRGKRZSA-N 320.345 0.372 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@H]1[C@@H](N)C2 1335586329 BHKQPYHNGDOQNC-UBHSHLNASA-N 317.389 0.689 10 10 DCCE Cc1nn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(=O)o1 1466790751 KZSHHEQPMAXOFA-MRVPVSSYSA-N 307.306 0.303 10 10 DCCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)CO)c1 1639978758 CBZAZXOSCBDQFJ-MRXNPFEDSA-N 316.357 0.990 10 10 DCCE COc1cccc(O)c1CNC[C@@H]1CCS(=O)(=O)N1C 1967747942 NAMONHGRJZWPCB-JTQLQIEISA-N 300.380 0.524 10 10 DCCE CC1(CNS(=O)(=O)CCOc2ccc(N)cc2)COC1 2154133046 OWVHEZHVJLFXND-UHFFFAOYSA-N 300.380 0.604 10 10 DCCE CCOC(=O)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2158195847 MZZUNJXJODOBIW-UHFFFAOYSA-N 314.348 0.665 10 10 DCCE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1COc1nnc(=N)[nH]n1 2210645654 WAAGAEPZNHQTQP-VHSXEESVSA-N 324.385 0.951 10 10 DCCE CCOC(=O)[C@H]1CCCN1S(=O)(=O)Nc1ccc(N)cc1 36283907 DDBARWMNMLTFHD-GFCCVEGCSA-N 313.379 0.953 10 10 DCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2COC)cc1Cl 2358566487 YOIUJSRJYNPBSE-MJBXVCDLSA-N 300.786 0.616 10 10 DCCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1csnn1 87466357 DZVGWTDBKFUILL-ZETCQYMHSA-N 309.303 0.375 10 10 DCCE CCNC(=O)N1CC[C@H](NC(=O)NCc2ccccc2O)C1 268584060 UGOZZAJSKAGVGY-LBPRGKRZSA-N 306.366 0.995 10 10 DCCE COC(=O)c1cc(OCC(=O)N2CCOCC2)ccc1N(C)C 865396193 MEOIRGMZNKUXKR-UHFFFAOYSA-N 322.361 0.777 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1 861776720 MAHYBCZRTHXONH-HUUCEWRRSA-N 317.389 0.611 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1126081458 AMKWCBBWSSHREB-UONOGXRCSA-N 305.378 0.710 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC(=O)N(C2CC2)C1 1137792030 GPMNKJSCXHQWNK-NSHDSACASA-N 304.346 0.767 10 10 DCCE C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CN1 1329116669 ULUMPWCLWZKASD-AAEUAGOBSA-N 305.378 0.607 10 10 DCCE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O 1455075780 BPZSMOXPAQVPOD-JTQLQIEISA-N 323.349 0.176 10 10 DCCE COc1ccc(CN[C@H]2C[C@H](CNC(=O)C(N)=O)C2)cc1C 1707087920 LSLJPVXZMNIWMO-JOCQHMNTSA-N 305.378 0.473 10 10 DCCE COC(=O)[C@@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1623919727 LAMHMNHUSQXUEN-SSDOTTSWSA-N 311.315 0.576 10 10 DCCE COCC(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169859803 ZUBJQMHOVHDXTC-UHFFFAOYSA-N 324.333 0.171 10 10 DCCE COc1cc(Br)cc([C@@H]2NCCNC2=O)c1O 1952338461 QESGIVGLLLKXQZ-VIFPVBQESA-N 301.140 0.924 10 10 DCCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCO1 70490474 HGHUZWXVZLUSHQ-NSHDSACASA-N 300.380 0.698 10 10 DCCE CCCS(=O)(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 2204665401 DPDFTGRUKTWNMX-UHFFFAOYSA-N 320.436 0.513 10 10 DCCE CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(C)C2=O)cc1 2296098689 HMJJADXPTYPJPZ-UHFFFAOYSA-N 302.290 0.649 10 10 DCCE COC(=O)C1(O)CN(c2ccc(CN)c(Br)c2)C1 714489552 ZAFVOBAEPYBYRG-UHFFFAOYSA-N 315.167 0.632 10 10 DCCE Cn1cc(C(N)=O)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 784098948 NUYOHLHYVMMGBD-UHFFFAOYSA-N 318.285 0.575 10 10 DCCE CC(=O)C(=O)COC(=O)Cn1cc(C(N)=O)c2ccccc21 808507849 XWUYZLVFPRHVCG-UHFFFAOYSA-N 302.286 0.442 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N2CCO[C@@H](CCF)C2)cc1 861776750 MCAVHDIIVYHOHK-AWEZNQCLSA-N 323.368 0.515 10 10 DCCE COc1ccc(CNC(=O)CN2CCCCC(=O)C2=O)c(O)c1 867956270 PMTODNKWPZUEJW-UHFFFAOYSA-N 320.345 0.599 10 10 DCCE CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccsc1 1163827630 JTFIPVJDUYQKKG-PLNGDYQASA-N 305.359 0.822 10 10 DCCE CO[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330396726 OEAPKOWWAFHSHS-LBPRGKRZSA-N 304.346 0.872 10 10 DCCE C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CN(C)CCN1C 1346768834 ZWAUOALATXAJBM-RISCZKNCSA-N 324.400 0.965 10 10 DCCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O 1353850969 FVJCSYICWLOYIJ-VXGBXAGGSA-N 320.345 0.276 10 10 DCCE COCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1493955212 KPWVRJJPIADKIT-XYPYZODXSA-N 323.349 0.122 10 10 DCCE CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2099335012 ZSONLHIERLUYFW-SECBINFHSA-N 310.401 0.526 10 10 DCCE C[C@@H](NS(=O)(=O)N1CCC[C@H]1CO)c1ccccc1O 2192630262 WHIIAVCEMQUNGK-MNOVXSKESA-N 300.380 0.744 10 10 DCCE O=C1N=C(N2CCN(CCO)CC2)SC1=Cc1ccccn1 2297471418 CESNZVGPBFIEEH-UHFFFAOYSA-N 318.402 0.662 10 10 DCCE Cc1ccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c(O)c1O 182514757 MRSKTLMGWWOILO-LBPRGKRZSA-N 306.362 0.953 10 10 DCCE CN1CC[C@H](CNS(=O)(=O)CCOc2ccc(N)cc2)C1 70490677 HCAMHBYSXBZWOX-GFCCVEGCSA-N 313.423 0.519 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)CC3)c(Cl)cc21 92751904 CNALAQIUSFGSAJ-ZDUSSCGKSA-N 308.769 0.879 10 10 DCCE CN(Cc1ccccc1O)C(=O)NCC(=O)N=S(C)(C)=O 923586715 HJEFXGCLJIQZHV-UHFFFAOYSA-N 313.379 0.788 10 10 DCCE CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(O)c(O)c1 778918451 QISIVSUECKEUBY-UHFFFAOYSA-N 307.306 0.044 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)C(C)(C)O 900024991 ABZBBLHBNMPXID-OAHLLOKOSA-N 322.405 0.613 10 10 DCCE Cn1c(O)nnc1CNC(=O)NCc1cc(Cl)ccc1O 1684886988 VAHGANXJPCSFMX-UHFFFAOYSA-N 311.729 0.879 10 10 DCCE C[C@H](CNC(=O)c1ccn(-c2ccc(N)cc2)n1)[S@](C)=O 164990359 UEXOMUSYJABZSH-LADRHHBVSA-N 306.391 0.951 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2201032380 GKDNQCITPYNUML-AIUZOBBOSA-N 300.786 0.523 10 10 DCCE Cc1ccc(CNC(=O)[C@@H](CN)CO)c(O)c1Br 2327790685 WMIMJSMUMYPSTE-VIFPVBQESA-N 317.183 0.647 10 10 DCCE COC(=O)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490779 GAGIPYCGDZHGOL-VIFPVBQESA-N 302.352 0.129 10 10 DCCE CS(=O)(=O)[C@H]1CSCCN1Cc1cc(N)ccc1O 90921811 QKSCWXZVXBOQMC-LBPRGKRZSA-N 302.421 0.894 10 10 DCCE COC(=O)c1ccnc(CNC(=O)c2cc(O)c(O)c(O)c2)c1 170190734 CTYAXSMENGILME-UHFFFAOYSA-N 318.285 0.915 10 10 DCCE CN1C[C@H](CN)C[C@@H]1c1cc(F)c(S(C)(=O)=O)cc1O 258793214 NJDTVCPNMOILTF-GZMMTYOYSA-N 302.371 0.886 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C 808513530 HRXLTYZXAWERBW-ZDUSSCGKSA-N 306.318 0.537 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@H]2CCN(C)S2(=O)=O)c1 843832937 YVIDHLMVUZMAJX-GFCCVEGCSA-N 314.363 0.051 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C(=O)OC[C@H]3C2)c1O 862546286 KTGKFUYFHMMHPP-NXEZZACHSA-N 308.290 0.914 10 10 DCCE COc1cccc(O)c1CNCC1(S(=O)(=O)N(C)C)CC1 886322061 KONQIGSLDSCHRG-UHFFFAOYSA-N 314.407 0.914 10 10 DCCE C[C@@]12COC[C@H]1CN(Cc1cc(O)n3ncc(C(=O)O)c3n1)C2 1329355969 YVYQTRVCPOAEDV-RFAUZJTJSA-N 318.333 0.601 10 10 DCCE CC(C)C[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879136 VUORJBIKKXROLU-NSHDSACASA-N 318.337 0.474 10 10 DCCE CC(=O)C(=O)[C@H](O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 1934024130 SIZNINNNUGICSX-ZYHUDNBSSA-N 301.339 0.389 10 10 DCCE Nc1ccc(CS(=O)(=O)NCCN2CCSCC2)cc1 230931944 CEJXCVGPZUTRKD-UHFFFAOYSA-N 315.464 0.737 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)[C@H](C)CO)nc12 273908749 AGWACVOEPUEFQN-ZJUUUORDSA-N 322.365 0.718 10 10 DCCE O=c1cccnn1[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCO2 585627186 SZJUZNACNCFDDQ-HUUCEWRRSA-N 313.357 0.908 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1c(O)cccc1O 697269759 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C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1CN 1332117682 XWHPFGBGCPOYAR-BXUZGUMPSA-N 317.389 0.820 10 10 DCCE CNC(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)n1 1643882153 PFRPCWYWHHPAMS-UHFFFAOYSA-N 301.302 0.782 10 10 DCCE C[C@H](CC[S@@](C)=O)NS(=O)(=O)Cc1ccc(N)cc1 127760295 KCHXVTHJNDZGSN-MGNBDDOMSA-N 304.437 0.845 10 10 DCCE CN(c1ccc(N)cc1)S(=O)(=O)C1CCS(=O)(=O)CC1 50350914 HKFXFMIFJXYYKK-UHFFFAOYSA-N 318.420 0.612 10 10 DCCE CN(C[C@@]1(O)CCOC1)S(=O)(=O)Cc1ccc(N)cc1 2185961325 WWMOVUZCBZKPQH-ZDUSSCGKSA-N 300.380 0.182 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1S(=O)(=O)C1CC2(C1)OCCO2 2252844867 AQZHYZZNCJSXGZ-SECBINFHSA-N 302.356 0.996 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Br)c1 2311998869 LHLPAMSATYQTRZ-UTUOFQBUSA-N 319.174 0.788 10 10 DCCE CCN(CC)S(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 35367328 PEMAIKAMLIKNJE-UHFFFAOYSA-N 312.439 0.977 10 10 DCCE O=C1N[C@H](c2cccc(Br)c2O)N2CCOC[C@@H]12 93885017 VNMXJTMBCTYYES-ONGXEEELSA-N 313.151 0.984 10 10 DCCE Cc1cc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)n[nH]1 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SAVQDOCYYYAIIM-GFCCVEGCSA-N 320.345 0.987 10 10 DCCE O=C(CO)NCCC(=O)NCc1c(O)ccc2ccccc12 1558554310 HRZMSMYWXKTOJK-UHFFFAOYSA-N 302.330 0.660 10 10 DCCE COCCn1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1 1595753012 WJUJBQYMXRPFLH-UHFFFAOYSA-N 306.322 0.308 10 10 DCCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCS1(=O)=O 155474058 ZITLNKBMVOOIIK-SECBINFHSA-N 300.336 0.919 10 10 DCCE COc1cc(Cl)cc(CNC[C@@H]2CCS(=O)(=O)N2)c1O 1967793796 GMFLQLQSFYXZTD-JTQLQIEISA-N 320.798 0.836 10 10 DCCE NS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1 714000615 HZBVHFJEIYYVAI-UHFFFAOYSA-N 300.336 0.032 10 10 DCCE C[C@H](NC(=O)NCCc1ccc(O)c(O)c1)S(C)(=O)=O 2203032747 DGLSLHRPBWVWFD-MRVPVSSYSA-N 302.352 0.330 10 10 DCCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNN1CCOCC1 2296562359 FFYHEQNGWWAMIS-UHFFFAOYSA-N 322.365 0.118 10 10 DCCE CCOc1cccc(CNCCNS(=O)(=O)CC)c1O 236883201 VGIMJLRDXTWJEJ-UHFFFAOYSA-N 302.396 0.820 10 10 DCCE CO[C@H]1COCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 312458624 YNXGIECWJZFUDQ-STQMWFEESA-N 300.380 0.492 10 10 DCCE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)C(C)=O 808506024 CGXBNBGOYLPDSK-LLVKDONJSA-N 319.379 0.282 10 10 DCCE CCCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCNC1 1118976150 OYGDQWDSRRISMG-ZDUSSCGKSA-N 317.389 0.835 10 10 DCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)N1Cc2cccc(O)c2C1 1152573630 MYXUHRNJMSRGIW-UHFFFAOYSA-N 321.358 0.769 10 10 DCCE COC(=O)[C@@]1(OC)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1301021663 XQQSURXNHUYFQA-OAHLLOKOSA-N 309.318 0.431 10 10 DCCE O=C(NCCNC(=O)N1Cc2cccc(O)c2C1)c1cc[nH]n1 1564425102 HZSDOVVVQKFIEL-UHFFFAOYSA-N 315.333 0.571 10 10 DCCE Cc1ccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)c(O)c1O 1587636366 OQRPOCDSBOXNLF-HNNXBMFYSA-N 322.317 0.357 10 10 DCCE Cc1ccc(C(=O)NC[C@]23COCCN2C(=O)OC3)c(O)c1O 1587636367 OQRPOCDSBOXNLF-OAHLLOKOSA-N 322.317 0.357 10 10 DCCE CCOC(=O)[C@@H](CC(=O)NCc1c(O)cccc1O)C(C)=O 1635847754 UIVQEXBJCCZCKU-JTQLQIEISA-N 309.318 0.872 10 10 DCCE Nc1ccc(CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1 1977884235 INGWJUZSNTUHRQ-UHFFFAOYSA-N 315.295 0.948 10 10 DCCE C[C@H]1OCC[C@@H]1S(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2145893232 ADYZCAUPOUKNFH-OQPBUACISA-N 300.332 0.873 10 10 DCCE NC[C@]1(F)C[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191772554 RYEPRKHJEVDOOZ-AULYBMBSSA-N 301.387 0.765 10 10 DCCE CS(=O)(=O)C1(CS(=O)(=O)CCc2ccc(N)cc2)CC1 2237866514 VPRUYCUCUXHPIH-UHFFFAOYSA-N 317.432 0.803 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCNC(=O)CC1 125655572 VTZMNZRCAPVCEV-UHFFFAOYSA-N 318.421 0.533 10 10 DCCE O=C(O)CCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366846303 MTHHVBXNJVMXOV-UHFFFAOYSA-N 301.320 0.260 10 10 DCCE CC(=O)C(=O)COC(=O)c1cnn(CC(=O)NC2CCCC2)c1 808529891 XTDMDPDKRINKHH-UHFFFAOYSA-N 321.333 0.257 10 10 DCCE O=c1cccnn1[C@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 585627183 SZJUZNACNCFDDQ-GJZGRUSLSA-N 313.357 0.908 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCC[C@](O)(CO)C2)cc1 837380695 UQZNSKVGEZTGFC-MRXNPFEDSA-N 307.394 0.781 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N2CCOCC3(CC3)C2)cc1 842235633 ISUJIYDPHHZPHA-UHFFFAOYSA-N 317.389 0.567 10 10 DCCE CN(C)CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 785425779 QEWVUCXXGOFXJZ-UHFFFAOYSA-N 320.437 0.779 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](N2CCOCC2)C1 1141050112 DSCRKTFBJMPOSZ-AWEZNQCLSA-N 320.389 0.964 10 10 DCCE CN(CCS(C)(=O)=O)S(=O)(=O)Cc1ccc(N)cc1 94298005 UQCMWFFTFTYJOR-UHFFFAOYSA-N 306.409 0.075 10 10 DCCE C[C@H](NC(=O)[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1 1292236547 WPCHLIKCNJBGLA-GUYCJALGSA-N 320.389 0.852 10 10 DCCE Cn1cncc1[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 1470567491 AKWWDWJXYGPDMA-TZNOJPMFSA-N 303.318 0.694 10 10 DCCE O=C1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@H]2N1 1640044757 TWOQFNMZIZQHFY-VXGBXAGGSA-N 304.346 0.767 10 10 DCCE C[C@H](O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1663341997 FLYBNBPLWDLETK-JTQLQIEISA-N 307.354 0.891 10 10 DCCE C[C@H]1CO[C@H](CO)CN1S(=O)(=O)Cc1ccc(N)cc1 166984927 PVDMQZGUSLLNKJ-GWCFXTLKSA-N 300.380 0.180 10 10 DCCE CCOC(=O)CS(=O)(=O)NCCOc1ccc(N)cc1 49061652 WGAJNDXBEZPJNE-UHFFFAOYSA-N 302.352 0.130 10 10 DCCE NC(=O)CN(CC(=O)O)Cc1cc(Br)ccc1O 2081020361 WPDFZBJTQJBBSN-UHFFFAOYSA-N 317.139 0.527 10 10 DCCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)CCN1 2103306136 XIFUCDCQMWPNRN-QMMMGPOBSA-N 305.787 0.996 10 10 DCCE COc1ccc(Br)c(CN[C@@H](C)[C@@H](O)CO)c1O 2220462503 MNIAZDMEXISDRE-XVKPBYJWSA-N 320.183 0.995 10 10 DCCE CSc1ncc(CNS(=O)(=O)N2CCC[C@@H](O)C2)s1 2269089207 AMHNSLJAXPWXBY-MRVPVSSYSA-N 323.465 0.656 10 10 DCCE CSc1ncc(CN[C@@](C)(COCCN)C(=O)O)s1 2350655372 MOJZNALDWNRVAZ-NSHDSACASA-N 305.425 0.773 10 10 DCCE CCOC(=O)C(=CC1=C/C(=C\N(C)C)C(=O)O1)C(=O)OCC 33628222 PSQAFEFRDBIUQZ-MDZDMXLPSA-N 309.318 0.925 10 10 DCCE CN(CCCC(=O)Nc1ccc(N)cc1)CCS(C)(=O)=O 94297280 GQJRMLVOILLNKX-UHFFFAOYSA-N 313.423 0.964 10 10 DCCE COc1cccc(O)c1CNCC[C@H]1CNCCS1(=O)=O 903968901 PWEMGCLKDKZFKQ-NSHDSACASA-N 314.407 0.267 10 10 DCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(Br)c1O 895367953 KVWIDMCLLAKBPC-SCZZXKLOSA-N 315.167 0.575 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1 1183048658 LOKCTWYPYMVBLT-CYBMUJFWSA-N 316.365 0.579 10 10 DCCE COCCN[C@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1331839811 GAMWLQMOAOVFHJ-LBPRGKRZSA-N 323.353 0.176 10 10 DCCE CCN(C)c1ccc(CN2CC(=O)N(C)C[C@@H]2C(=O)OC)cc1 1655005131 MPIJJMMRIHDMFB-OAHLLOKOSA-N 319.405 0.958 10 10 DCCE NC1=NNC(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 6269053 HZVSCFCZLZXDNP-DHZHZOJOSA-N 317.305 0.217 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701322808 FTYWKBVYBMMRKC-VHSXEESVSA-N 301.372 0.712 10 10 DCCE CS(=O)(=O)CCCCNC(=O)COc1ccc(N)cc1 710315482 LOUIHBCLWPVXFO-UHFFFAOYSA-N 300.380 0.589 10 10 DCCE CO[C@H]1C[C@@H]1CNS(=O)(=O)CCOc1ccc(N)cc1 2188220465 NBDQZWZZCHVVLH-MFKMUULPSA-N 300.380 0.602 10 10 DCCE C[C@H](OC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(N)=O 255436190 BMGXAVZNUPWNAZ-KMSCOEIWSA-N 304.346 0.953 10 10 DCCE CC(C)S(=O)(=O)NC1CN(c2ccc(CN)cc2F)C1 2165628534 KRYDNDDEVCAVRC-UHFFFAOYSA-N 301.387 0.801 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC(CO)C1 807101715 ASCGHOTUVDSLLZ-UHFFFAOYSA-N 305.378 0.128 10 10 DCCE Cc1nn(CC(=O)N2CCOc3cc(N(C)C)ccc32)c(=O)o1 900896802 ZSCYMLMRUQXGGE-UHFFFAOYSA-N 318.333 0.636 10 10 DCCE CN1C(=O)NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N(C)C)C1=O 1084361178 SENYLHUAAIXYDO-YFHOEESVSA-N 318.289 0.752 10 10 DCCE COCCOC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(N)cc1 58238158 UYTTYJDSSRDEAU-SNVBAGLBSA-N 301.364 0.762 10 10 DCCE CCS(=O)(=O)N[C@@H](C)C(=O)NCc1cc(O)ccc1O 1471662190 SFSASWYSNWZYLK-QMMMGPOBSA-N 302.352 0.042 10 10 DCCE CN(C)C(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1557369887 GVBURGWIKHNPOO-UHFFFAOYSA-N 307.350 0.466 10 10 DCCE O=C(C[C@@H]1CCCS1(=O)=O)NCCc1ccc(O)c(O)c1 1630335232 NEAUCDZZQUGGJK-NSHDSACASA-N 313.375 0.724 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](NCCO)C2CC2)cc1 1690181860 IJINEOMMKRZFED-ZDUSSCGKSA-N 319.365 0.939 10 10 DCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N1CC[C@H](O)C1 1914132536 OPWARMQRSZWERW-QWRGUYRKSA-N 300.380 0.696 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1cc(Cl)ccc1O 2142467438 RQXVUVUYLOZOJN-CMPLNLGQSA-N 305.783 0.947 10 10 DCCE CN(CCN(C)S(C)(=O)=O)Cc1ccc(F)c(F)c1O 1971683366 VCYNLPONWKESQJ-UHFFFAOYSA-N 308.350 0.994 10 10 DCCE O=C(O)CC[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O 2059920992 PRCRWIWEDONYKC-VIFPVBQESA-N 309.274 0.545 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@](C)(N(C)C)C3)c2n1 2062240255 RFZKEGREPJPIJB-HNNXBMFYSA-N 303.366 0.910 10 10 DCCE COCn1nccc1S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2174002637 PIJOFQVAGBAZNU-UHFFFAOYSA-N 300.344 0.950 10 10 DCCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccco3)C(=O)N=C2S1 2297345995 UWVCDSGGMUILLO-UHFFFAOYSA-N 324.343 0.901 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(Br)c1 2311998868 LHLPAMSATYQTRZ-TUAOUCFPSA-N 319.174 0.788 10 10 DCCE C[C@H]1CN([C@@H](Cc2ccc(O)c(O)c2)C(=O)O)S(=O)(=O)C1 93634531 ZTBKDCNTQIYOCY-WPRPVWTQSA-N 315.347 0.375 10 10 DCCE CCCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)C(C)=O 808515574 SRMOVXSYOOCXBA-SNVBAGLBSA-N 301.364 0.779 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN(C)CCN(C)C1 907275014 UYXXKLRONJLEAG-GFCCVEGCSA-N 321.421 0.638 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C2)cc1 855228636 FQNBQJIFYJWPEM-DGCLKSJQSA-N 305.378 0.915 10 10 DCCE C[C@H](O)C1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1 1329344617 OEGJXNUXNIEZNA-LBPRGKRZSA-N 320.389 0.970 10 10 DCCE COC[C@](C)(CO)N(C)S(=O)(=O)Cc1ccc(N)cc1 689947950 QAVGFDOUTIREGN-ZDUSSCGKSA-N 302.396 0.428 10 10 DCCE CS(=O)(=O)[C@@H]1CCN(c2ccc(CO)c([N+](=O)[O-])c2)C1 2188575113 FPMAOENPYJOIQU-LLVKDONJSA-N 300.336 0.710 10 10 DCCE COCCNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 128362641 ZNPLCQSMPWYBLZ-UHFFFAOYSA-N 311.367 0.347 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](Oc2cccnn2)C1 238829914 FQWGMVDXAZPZTM-NSHDSACASA-N 316.317 0.966 10 10 DCCE COC[C@@H](O)CNC(=O)NCc1ccc(N2CCOCC2)cc1 265397491 ODDBGKWYUGNFQD-HNNXBMFYSA-N 323.393 0.330 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1NC(=O)NC1=O 808095851 VVXRDGXWJOKMHO-QMMMGPOBSA-N 312.322 0.092 10 10 DCCE COc1ccc(-n2nnc(C(=O)OCC(=O)C(C)=O)c2C)cc1 808502658 OBOYWUANAVTYJO-UHFFFAOYSA-N 317.301 0.899 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]12CNC[C@H]1COC2 846678352 ZMCWIVRMQMSTKW-YOEHRIQHSA-N 303.406 0.947 10 10 DCCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@H](O)C2CCOCC2)cc1 843298138 MPXSTHAITPXKCZ-JKSUJKDBSA-N 321.421 0.656 10 10 DCCE COc1cc(O)c(CN2CCN3C[C@H](O)C[C@H]3C2)cc1OC 848925737 FNPJKJRADRVTMA-QWHCGFSZSA-N 308.378 0.660 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)c3cnnn3C)C2)cc1 855224260 JKJHQAWZCYFEPG-NSHDSACASA-N 301.350 0.832 10 10 DCCE COc1cccc(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1O 769508093 PJIZJXRQTYTCGN-UHFFFAOYSA-N 321.333 0.347 10 10 DCCE CC1(CNC(=O)c2ccn(-c3ccc(N)cc3)n2)OCCO1 1876421785 WDBCUNGFGRAPSF-UHFFFAOYSA-N 302.334 0.947 10 10 DCCE C[C@H](NS(=O)(=O)c1n[nH]c(=N)s1)c1ccccc1O 1877584888 BQKNJJRBAMRNFH-LURJTMIESA-N 300.365 0.696 10 10 DCCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc(O)n1C 1300074943 UMQJLUOGBYVWKS-YZCDNWJKSA-N 304.306 0.823 10 10 DCCE C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccccc1O 1454805405 JGVAZUMKSRBLDV-SNVBAGLBSA-N 305.334 0.540 10 10 DCCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1558175276 KKDHJBIXHUSZJS-JTQLQIEISA-N 316.317 0.490 10 10 DCCE CSc1ncc(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)s1 2284510190 ZHZCRYNWIQBPEH-HTRCEHHLSA-N 317.392 0.594 10 10 DCCE CO[C@]1(CNCc2cc(F)ccc2O)CCS(=O)(=O)C1 721252088 AGTKEUAXFHCMQF-ZDUSSCGKSA-N 303.355 0.825 10 10 DCCE O=S(=O)(C[C@H]1CNCCO1)Nc1ccc(O)c(Cl)c1 722223049 HODLASLVTPDXCZ-SECBINFHSA-N 306.771 0.776 10 10 DCCE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cs1 800704473 GECAXQQDUFVFAN-WCBMZHEXSA-N 318.420 0.901 10 10 DCCE CN(C)c1ccc(/C=C/CNC[C@H](O)CS(C)(=O)=O)cc1 922822917 KEBSBSLSXKQSDC-RGDDUWESSA-N 312.435 0.761 10 10 DCCE O=C(Cn1cnc([N+](=O)[O-])n1)NCc1cc(Cl)ccc1O 1146230883 ABRMVFAUSXEIHD-UHFFFAOYSA-N 311.685 0.862 10 10 DCCE COC[C@H](CN)NCc1cc(Br)c(O)cc1O 2248029167 VUGIBNUYKBUQFI-QMMMGPOBSA-N 305.172 0.924 10 10 DCCE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(C)ccc1O 276748878 KOOLVWNKRLKMEE-GFCCVEGCSA-N 313.375 0.473 10 10 DCCE CN1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)NC1=O 611656523 DJDDDNDGCNQJIW-LLVKDONJSA-N 304.350 0.502 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CN(Cc2ccccc2)CCO1 808519407 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COc1cc(NC(=O)C(=O)NCc2ccccc2O)nn1C 773285500 WJROYRXPRVSOCO-UHFFFAOYSA-N 304.306 0.389 10 10 DCCE COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1137811580 KFNRKCNKNMSMDN-JTQLQIEISA-N 308.294 0.767 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1323041530 FXWRXEXEDOUBOM-FICVDOATSA-N 317.389 0.438 10 10 DCCE Cn1cnc(C(=O)NCc2ccc3cccnc3c2O)cc1=O 1451959398 YBBNZOSTWCWDLK-UHFFFAOYSA-N 310.313 0.964 10 10 DCCE COCCn1cc(C(=O)NCc2ccc(OC)cc2O)nn1 1626079931 PWEBKSZBPDOXMZ-UHFFFAOYSA-N 306.322 0.569 10 10 DCCE CC[C@@H](CNC(=O)CC(N)=O)NCc1ccc(OC)c(C)c1 1494954198 SMOYACDXAOOJPK-ZDUSSCGKSA-N 307.394 0.863 10 10 DCCE C[S@](=O)(=NC(=O)c1cccc(O)c1O)N1CCOCC1 2167403926 PPBJTBXOAXLGRR-FQEVSTJZSA-N 300.336 0.583 10 10 DCCE CCOC(=O)c1c(CC)nn2c(O)cc(CC(=O)OC)nc12 2080934768 WMZCHGOWXZSEGC-UHFFFAOYSA-N 307.306 0.890 10 10 DCCE CC[C@H](C)N1C(=O)C(=CN[C@@H]2CCCC[C@@H]2N)C(=O)NC1=S 2296929548 GBHDLDQHKWFARI-ZMLRMANQSA-N 324.450 0.772 10 10 DCCE C[C@@H](O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 270341275 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COc1ccc(Br)c(CNC[C@H](O)[C@@H](C)O)c1O 1965946191 GWGXHMRJPKKRLA-XCBNKYQSSA-N 320.183 0.995 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](CN(C)C)C3)c2n1 2063777593 SGWSEUNLLACAIX-LLVKDONJSA-N 303.366 0.767 10 10 DCCE CCOC[C@@](CN)(NCc1cnc(SC)s1)C(=O)O 2349499178 DRMHUPDCYUZBOK-LLVKDONJSA-N 305.425 0.773 10 10 DCCE CCN(CC)c1ccc([C@H](O)[C@@H](N)CS(C)(=O)=O)cc1 2360515866 BHCSCYMRVBANAB-KBPBESRZSA-N 300.424 0.938 10 10 DCCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)CC(=O)OC 49061439 XVPWYGDKTLGSMN-UHFFFAOYSA-N 300.380 0.984 10 10 DCCE COC[C@@](C)(O)CCNC(=O)NCc1ccc(OC)cc1O 836534744 VJUQDRGMUMUGGU-HNNXBMFYSA-N 312.366 0.988 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1 855230033 CBTDPXKWLXQLKC-IUODEOHRSA-N 306.362 0.806 10 10 DCCE CN1CCO[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 862027688 BWKRCRKTZQFBGM-ZDUSSCGKSA-N 301.346 0.887 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CCCCC(=O)C2=O)cc1 864574041 XBAJXBVEDUZPSV-UHFFFAOYSA-N 317.389 0.950 10 10 DCCE O=C(C1CC1)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1448840895 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COc1ccc(O)c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 767170463 KAMNKVYHTVEOME-UHFFFAOYSA-N 306.278 0.973 10 10 DCCE CCN1OC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O 787730813 NZVALPVDTRYXGJ-HNNXBMFYSA-N 305.378 0.980 10 10 DCCE O=S(=O)(NNc1nc2cccnc2s1)N1CCOCC1 857226025 XTMICZBKFTWMRA-UHFFFAOYSA-N 315.380 0.185 10 10 DCCE CCN(CC)CCS(=O)(=O)NCc1ccc(O)cc1O 867417025 LFZJMIYHUNUDLO-UHFFFAOYSA-N 302.396 0.859 10 10 DCCE C[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1321419979 LWJRPYADZKUFFC-DOMZBBRYSA-N 319.405 0.910 10 10 DCCE C[C@H]1COCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1335571923 FYXDZJMJSYRYPN-NSHDSACASA-N 304.346 0.872 10 10 DCCE Cc1cc(O)cc(=O)n1CCC(=O)NCc1c(O)cccc1O 1647269545 HIZJDSLQAXOMBF-UHFFFAOYSA-N 318.329 0.980 10 10 DCCE O=S1(=O)C[C@@H](c2cc(Br)ccc2O)NCCN1 1952456837 CIMPIEFRNABRML-VIFPVBQESA-N 321.196 0.718 10 10 DCCE C[S@@](=O)CCCCNS(=O)(=O)Cc1ccc(N)cc1 2110337870 XHFRQWXPPAWQKI-GOSISDBHSA-N 304.437 0.847 10 10 DCCE CNCc1ccc(N2CCOC[C@H]2[C@H](O)CO)cc1Cl 2146327581 YPGKBAYKVRCADZ-UONOGXRCSA-N 300.786 0.618 10 10 DCCE CS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(CO)c2)C1 2179916729 KDRVALIKLKTCER-LLVKDONJSA-N 300.336 0.710 10 10 DCCE CSc1ncc(CNS(=O)(=O)N2CCC[C@H](O)C2)s1 2269089208 AMHNSLJAXPWXBY-QMMMGPOBSA-N 323.465 0.656 10 10 DCCE CCN(CC)c1ccc([C@@H](O)[C@@H](N)CS(C)(=O)=O)cc1 2360515867 BHCSCYMRVBANAB-UONOGXRCSA-N 300.424 0.938 10 10 DCCE COCC(COC)S(=O)(=O)N(C)Cc1ccc(N)cc1 688578084 YZRFADPQRIIVOC-UHFFFAOYSA-N 302.396 0.692 10 10 DCCE [N-]=[N+]=NCCCNC(=O)CSCC(=O)N1CCOCC1 701304188 VGNIOAOGCZOFGW-UHFFFAOYSA-N 301.372 0.395 10 10 DCCE CN1C(=O)NC(=O)/C(=C/NC[C@]2(C)C[C@H](O)CC(C)(C)C2)C1=O 1081807951 HNZXOGMTIJYWCC-KRKCQQLOSA-N 323.393 0.745 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CCC1 1176724636 FXOJUPBMYIPTDV-HYXAFXHYSA-N 301.306 0.820 10 10 DCCE CN1CCN(c2ccc(CNCc3cnn[nH]3)cc2F)CC1 1351341027 JWJJUPJSNLHEIU-UHFFFAOYSA-N 304.373 0.985 10 10 DCCE Cn1cc(CNC(=O)NCc2c(O)cccc2F)c(O)nc1=O 1639116875 CRMLEMZSOQVELA-UHFFFAOYSA-N 322.296 0.330 10 10 DCCE Cc1ccc(C(=O)N2CC(O)(c3ccnn3C)C2)c(O)c1O 1643412214 YRDBQWPHOYRQGI-UHFFFAOYSA-N 303.318 0.483 10 10 DCCE CN1CC(=O)N(CCCC(=O)NCc2cc(O)ccc2O)C1=O 1651223149 XSCWKILOVXJNHI-UHFFFAOYSA-N 321.333 0.388 10 10 DCCE CS(=O)(=O)c1sccc1[C@@H](NCCN=[N+]=[N-])C(N)=O 1912147753 YYIUJZXETNMRTD-SSDOTTSWSA-N 303.369 0.578 10 10 DCCE CN(CCN=[N+]=[N-])C(=O)c1nc(S(C)(=O)=O)ncc1Cl 1912155580 IITLLMREZSTNOL-UHFFFAOYSA-N 318.746 0.916 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H](C)S(C)(=O)=O 2170593429 GHKMQDVDLFYNRC-UWVGGRQHSA-N 320.436 0.510 10 10 DCCE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(COc2nnc(=N)[nH]n2)C1 2210652068 QSNUZEUPUFQQFY-OTYXRUKQSA-N 322.369 0.705 10 10 DCCE CSc1ncc(CNC(=O)N2CC(CO)(C(=O)O)C2)s1 2284506832 ISOCDDUSLPGFNJ-UHFFFAOYSA-N 317.392 0.454 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H](O)C2)cc1 70490606 ODVSGLOTGYBKPL-GFCCVEGCSA-N 300.380 0.434 10 10 DCCE CC(=O)C(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2 808499888 QPCFBSFVVJKYGG-UHFFFAOYSA-N 305.286 0.651 10 10 DCCE O=C1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCN1 815419798 CZJXTISESDHONU-VIFPVBQESA-N 307.302 0.740 10 10 DCCE C[C@]1(CCCC(=O)NCc2ccc(O)cc2O)NC(=O)NC1=O 1469158935 HHQVDHPDEJBJHM-OAHLLOKOSA-N 321.333 0.482 10 10 DCCE CSCC[C@H](NC(=O)c1cccc(O)c1O)c1nn[nH]n1 1641896722 OVJSOCWVWDXHGO-QMMMGPOBSA-N 309.351 0.835 10 10 DCCE CN(Cc1ccccc1O)C(=O)NCCCCS(N)(=O)=O 1673135754 VPSLBJFCFVMYTE-UHFFFAOYSA-N 315.395 0.602 10 10 DCCE NC(=O)CN(CC(=O)O)Cc1ccc(Br)cc1O 2081017473 OYVWXNXOTBHMQZ-UHFFFAOYSA-N 317.139 0.527 10 10 DCCE COC1CN(S(=O)(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 2161942190 CRNYWMWNDBLIMB-JTQLQIEISA-N 303.388 0.974 10 10 DCCE N[S@@](=O)(=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 2173781805 YVNXNVPZFLCTCO-GWNMQOMSSA-N 300.336 0.598 10 10 DCCE CSc1ncc(CNC(=O)NC(C)(C)[C@H](O)C(=O)O)s1 2284557808 SHLRXVZIKPTYRJ-SSDOTTSWSA-N 319.408 0.888 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@@H]2CC[C@H]2N)cc1 2363559349 NCUOSCFOTQSHJK-GHMZBOCLSA-N 319.408 0.290 10 10 DCCE CN1C(=O)C(=Cc2nccn2CC(F)(F)F)C(=O)N(C)C1=O 171536396 FXGJWVYCXDLKTR-UHFFFAOYSA-N 316.239 0.879 10 10 DCCE CCS(=O)(=O)NCCN1CCc2cc(O)c(O)cc2C1 2366907515 GKYRPWHZDGEKOE-UHFFFAOYSA-N 300.380 0.395 10 10 DCCE Cc1[nH]nc(C(=O)O)c1S(=O)(=O)NCc1ccccc1O 228403133 KNPZTRXOZUOZPJ-UHFFFAOYSA-N 311.319 0.600 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3CN(C(C)=O)C3)C2)cc1 855224659 GVVVQTCTJYVRHB-AWEZNQCLSA-N 317.389 0.868 10 10 DCCE Nc1n[nH]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 1313162126 COIHHOHTPIAUEQ-UHFFFAOYSA-N 316.365 0.971 10 10 DCCE CCN1CCN(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)CC1 1348455538 UMHFGKUSVZZIHV-UHFFFAOYSA-N 319.405 0.868 10 10 DCCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1293731378 UNZSLJCHJDGWFJ-VHSXEESVSA-N 313.375 0.674 10 10 DCCE CN1CCCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 1627148048 XRLBFKPSOKLCQK-UHFFFAOYSA-N 321.421 0.784 10 10 DCCE CCOC(=O)[C@H](CC(=O)NCc1ccc(O)cc1O)C(C)=O 1557085845 XUDJCTWBZCWEDA-GFCCVEGCSA-N 309.318 0.872 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 1632073492 KMTDSUNTGKXHLO-CYBMUJFWSA-N 317.349 0.740 10 10 DCCE COc1ccc(CNCCN(C)C(=O)c2cnn[nH]2)cc1C 1567524586 XQZXXNVYLTWRKR-UHFFFAOYSA-N 303.366 0.984 10 10 DCCE CN(C)CCN1C(=O)COc2ccc(N3CCNCC3)cc21 31947291 ZOBIFQTWPCKYEJ-UHFFFAOYSA-N 304.394 0.383 10 10 DCCE COc1ccc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1 6027276 PASTUVBEEKISLU-UHFFFAOYSA-N 316.361 0.610 10 10 DCCE CCS(=O)(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 41380239 BIBNOMDECXTDLS-UHFFFAOYSA-N 312.391 0.930 10 10 DCCE C[C@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1CCS(=O)(=O)C1 252373945 WXEGMTOWEYQIGD-MFKMUULPSA-N 311.407 0.715 10 10 DCCE CC(C)(NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(N)=O 255007097 CASSHEKJGAVHTK-YVMONPNESA-N 317.389 0.917 10 10 DCCE Oc1cc(O)c2c(c1)O[C@](O)(c1cc(O)c(O)c(O)c1)[C@H](O)C2 953124094 WQHRFQFSAXMMQJ-UKRRQHHQSA-N 322.269 0.356 10 10 DCCE NC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCOCC1 789557461 IKRVJOMPILNWJD-UHFFFAOYSA-N 319.405 0.647 10 10 DCCE COc1ccc(N2CCN(S(=O)(=O)N3CCC3)CC2)cc1 795759017 HOFJQDQSWKNCAS-UHFFFAOYSA-N 311.407 0.768 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H]2NCC[C@@H]21 1332135733 KIDPKFCKMRBWFU-KGLIPLIRSA-N 317.389 0.704 10 10 DCCE COC(=O)[C@@H](O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1466259423 QSJMZYDGDRCUAM-HNNXBMFYSA-N 323.345 0.413 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CC(=O)N(CC2CC2)C1 1644476022 JYYLISCHYZJPMI-LBPRGKRZSA-N 304.346 0.767 10 10 DCCE COc1cc(N2CC[C@@H](NS(C)(=O)=O)C2)ccc1CO 2204563425 IJXBSZJQRGEBFC-LLVKDONJSA-N 300.380 0.315 10 10 DCCE CS(=O)(=O)C1(C[S@](=O)CCOc2ccc(N)cc2)CC1 2237875482 OZOFUBHOEQXYNK-LJQANCHMSA-N 317.432 0.974 10 10 DCCE Cc1ccc(CNC(=O)[C@H](N)CO)c(O)c1Br 2307464174 RTBQHGNVYBVMBO-MRVPVSSYSA-N 303.156 0.399 10 10 DCCE COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 35345996 UUKYTMSPVFGYKA-LBPRGKRZSA-N 300.380 0.886 10 10 DCCE Nc1ccc(CN(C2CC2)S(=O)(=O)N2CCOCC2)cc1 35365948 LKEWVRSQOKKSPC-UHFFFAOYSA-N 311.407 0.810 10 10 DCCE CC(C)(C(=O)NCCOc1ccc(N)cc1)S(C)(=O)=O 70127410 AZTDCGSTARSPGM-UHFFFAOYSA-N 300.380 0.587 10 10 DCCE CC(=O)N(C(=O)C(=O)NCc1ccncc1)c1ccc(N)cc1 170318432 IPBZXEFSHFIEEC-UHFFFAOYSA-N 312.329 0.860 10 10 DCCE O=C1N[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CO1 283825279 YZYABWJRWFBHLL-GFCCVEGCSA-N 323.324 0.387 10 10 DCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)[C@H]1C 380356168 ZUOBIVOVEVVNSO-ONGXEEELSA-N 304.372 0.785 10 10 DCCE COc1cc(OC)c2c(c1)[C@](O)(CN1CCNCC1)CN2C 527416385 KFJYLFCYMMZFRE-MRXNPFEDSA-N 307.394 0.246 10 10 DCCE C[C@@H](NC(=O)CN1CC(=O)NC1=O)c1ccc(N(C)C)cc1 773012222 WTGUPSDHDNTNJU-SNVBAGLBSA-N 304.350 0.482 10 10 DCCE O=C(C(=O)N1CC[C@](O)(C2CC2)C1)N1Cc2cccc(O)c2C1 1329437931 RIYSGTMLOLMHCL-QGZVFWFLSA-N 316.357 0.608 10 10 DCCE COCCn1cc(C(=O)NCc2c(O)cccc2O)ccc1=O 1635843250 JOJXZBRBMLHDIK-UHFFFAOYSA-N 318.329 0.836 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NO[C@@H]2CCOC2)cc1 2193228482 SXYXQEUKDSANBY-GFCCVEGCSA-N 302.352 0.288 10 10 DCCE COc1cc(N)c(N2CC(CS(N)(=O)=O)C2)cc1OC 2194420540 BUYVLWKCIYNIRU-UHFFFAOYSA-N 301.368 0.011 10 10 DCCE CSc1ncc(CNC(=O)[C@]2(N)C[C@H](O)C2(C)C)s1 2269265694 JFNKILGEIUJTBG-QPUJVOFHSA-N 301.437 0.970 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2CC(O)C2)cc1 91415515 GWGDLZANFSLSBZ-UHFFFAOYSA-N 300.380 0.338 10 10 DCCE NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(C(F)(F)F)c1 159008070 ITLYBXYGOLTBFN-LLVKDONJSA-N 303.284 0.855 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOCC1=O 279088695 HZRNRAIZGDRIEW-UHFFFAOYSA-N 305.378 0.570 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)cc1 855233308 WZHOODSSPHSOOH-QWHCGFSZSA-N 317.389 0.916 10 10 DCCE C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(F)ccc1O 858569483 IPAPWELQVCLKCM-VIFPVBQESA-N 317.386 0.673 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCOC(=O)N3)C2)cc1 862159550 UBVUZPQZKBOCNQ-FZMZJTMJSA-N 319.361 0.889 10 10 DCCE CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc(O)c(O)c1 1146782360 NOZAUFLQRZCUPR-UHFFFAOYSA-N 323.393 0.119 10 10 DCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCN(C)CC1 1542938861 RAEZCCLOUMKWLT-LBPRGKRZSA-N 307.394 0.392 10 10 DCCE CN1CC2(CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)OC1=O 1630230411 QFLNTAOYBSQVSP-HWKANZROSA-N 304.302 0.774 10 10 DCCE COCC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1637229914 OOFNZHMFVRYGAW-MRVPVSSYSA-N 324.358 0.933 10 10 DCCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C2CC2)cc(OC)n1 1744614068 OAHMMCSQPVPLFY-VIFPVBQESA-N 307.350 0.743 10 10 DCCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C(C)C)cc(OC)n1 1744629347 OGKVDSJGOQJDJL-JTQLQIEISA-N 309.366 0.989 10 10 DCCE O=C(O)C1=S=C(NC(=O)C2=S=Nc3ccccc32)C=C1 2159954022 JYDPRDPEWRGURW-UHFFFAOYSA-N 304.352 0.925 10 10 DCCE Nc1ccc(CNC2CN(S(=O)(=O)C(F)(F)F)C2)cc1 2233061068 DHRSVNGUNCUGJF-UHFFFAOYSA-N 309.313 0.892 10 10 DCCE CSc1ncc(CNC(=O)N2NC(=O)C[C@H]2C(=O)O)s1 2284545461 ZKNCWFWZIGQYHF-LURJTMIESA-N 316.364 0.265 10 10 DCCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NCCCO 2831669 IUYCTACRDXLMDU-FMIVXFBMSA-N 303.318 0.121 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 40348713 CHGPNIKNYSVPNA-LLVKDONJSA-N 318.420 0.123 10 10 DCCE Nc1c(I)ccc([C@@H](N)C(=O)O)c1O 220862418 HRCSHZPDVSIBGY-RXMQYKEDSA-N 308.075 0.663 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCON)cc1 722214439 KIKGCQVDLBYYPW-UHFFFAOYSA-N 323.396 0.080 10 10 DCCE CN(Cc1ccccc1O)C(=O)CN1C(=O)NC(C)(C)C1=O 769281401 ADOJIOWRXTZSMX-UHFFFAOYSA-N 305.334 0.681 10 10 DCCE CCN1CCN(CCC(=O)NCc2cccc(O)c2O)CC1 1347543123 WWAWJAWSIAEFFH-UHFFFAOYSA-N 307.394 0.742 10 10 DCCE C[C@@H]1OCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C 1351838748 TUCMWUHHOVSXSE-QWRGUYRKSA-N 304.346 0.870 10 10 DCCE Cc1cc(C(=O)NCc2ccc(O)c(O)c2)ncc1C(N)=O 1635959211 FXFGARGHXQTFJF-UHFFFAOYSA-N 301.302 0.830 10 10 DCCE O=C(CNC(=O)c1ncccc1O)NCc1c(O)cccc1F 1645048256 NCRPYSMVNJSUST-UHFFFAOYSA-N 319.292 0.678 10 10 DCCE COC(=O)c1cnc(SC[C@H](NC(C)=O)C(=O)O)s1 2126229786 NJXYSYAIJDQAMQ-LURJTMIESA-N 304.349 0.611 10 10 DCCE CCS(=O)(=O)C[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2170597207 NEVIDRPCYCNDIX-JTQLQIEISA-N 320.436 0.511 10 10 DCCE COC(=O)C(C)(C)CS(=O)(=O)NCc1ccc(N)cc1 2208435483 UYIZVPUCKMFPON-UHFFFAOYSA-N 300.380 0.887 10 10 DCCE CSc1ncc(CNS(=O)(=O)c2c[nH][nH]c2=N)s1 2256943891 WLOHYUAEOHWKFH-UHFFFAOYSA-N 305.410 0.479 10 10 DCCE C[C@H]1COCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490623 LVTTYCJVIYITEF-NSHDSACASA-N 300.380 0.698 10 10 DCCE CNCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(Br)c1 316448320 RWVOARYXAWKPKT-ZWNOBZJWSA-N 315.211 0.958 10 10 DCCE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1 529740574 NJINLPVDHVLXNG-SNVBAGLBSA-N 323.349 0.176 10 10 DCCE O=C(c1cc(O)cs1)N1CCO[C@@H](CN2CCOCC2)C1 870060775 NRYHOBHVNAKAAX-LBPRGKRZSA-N 312.391 0.627 10 10 DCCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c(O)cccc1Br 895371941 ZWVFXXAUWQLLHH-XCBNKYQSSA-N 315.167 0.575 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1CN 1335261369 HGEVTJJCUBULEZ-CHWSQXEVSA-N 319.405 0.794 10 10 DCCE COc1ccc(-n2nnnc2CN[C@H](C)[C@H](C)NC(C)=O)cc1 1485113540 ZANRXAYXBXNQDW-MNOVXSKESA-N 318.381 0.674 10 10 DCCE NS(=O)(=O)CCCCCC(=O)NCc1cc(O)ccc1O 1637126209 ONFLNJYVJCZNKX-UHFFFAOYSA-N 316.379 0.563 10 10 DCCE O=C(NCc1c(O)cccc1O)[C@H]1CCc2nnnn2CC1 1645362750 BFFWIUYTWHPQTF-VIFPVBQESA-N 303.322 0.353 10 10 DCCE C[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)c1ccccc1O 2192624137 UEYFFMTYSABKMD-KOLCDFICSA-N 300.380 0.331 10 10 DCCE O=C(O)[C@H](NCc1ccc(F)cc1O)C1CS(=O)(=O)C1 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COC1(OC)CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1557155893 QCWGNDRRRWIYJD-ZDUSSCGKSA-N 311.334 0.223 10 10 DCCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)NS(C)(=O)=O 1565627758 ZJNHAGNFHQLAGX-UHFFFAOYSA-N 316.379 0.084 10 10 DCCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCO)cc1 2143465447 FLGYWJDUADKEME-UHFFFAOYSA-N 322.408 0.572 10 10 DCCE NCC1(F)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 2191530102 OQPVFWFNISCNBX-UHFFFAOYSA-N 301.387 0.861 10 10 DCCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)[C@@H]2CO)cc1Cl 2285906641 NZHSFPKREIGRNQ-OUJBWJOFSA-N 303.742 0.260 10 10 DCCE C[C@@H](CS(C)(=O)=O)NC(=O)CCOc1ccc(N)cc1 81901378 MIVTVTAFFBKNPS-JTQLQIEISA-N 300.380 0.587 10 10 DCCE O=C(CN1C(=O)CSC1=S)NCc1ccc2c(c1)OCO2 82307876 QVAIJNLZZLFRTL-UHFFFAOYSA-N 324.383 0.892 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 808507331 IIWMLFFMSVYDNH-NSHDSACASA-N 307.302 0.976 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CSCN1C(=O)C1CCCC1 808515568 SNPIWWHNXXIHSI-LLVKDONJSA-N 313.375 0.779 10 10 DCCE COc1ccc(CNC(=O)C2C[C@H]3CNC[C@@H](C2)C3=O)c(O)c1 832178425 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DCCE Cc1ccc(CN[C@H]2CN(C)NC2=O)c(O)c1Br 2327624758 UTZIQLIKCOVWCI-VIFPVBQESA-N 314.183 0.898 10 10 DCCE COc1ccc(N2CCN(C(=O)CC(N)=O)CC2)c(OC)c1 870164168 QKEWXYILMCHDLP-UHFFFAOYSA-N 307.350 0.228 10 10 DCCE NC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1136415164 WXPXTMSVBCWOCR-CYBMUJFWSA-N 314.341 0.853 10 10 DCCE C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348584501 GCIXQRJILNWVPD-NWDGAFQWSA-N 318.373 0.854 10 10 DCCE COCCn1nc(C(=O)NCc2cccc(O)c2O)ccc1=O 1471643888 MKMHWWDOCZAFOH-UHFFFAOYSA-N 319.317 0.231 10 10 DCCE NS(=O)(=O)CCCCCC(=O)NCc1c(O)cccc1F 1471975666 CGXJHADEUQZNCZ-UHFFFAOYSA-N 318.370 0.996 10 10 DCCE COc1ccc(CN[C@H](CO)CNC(=O)c2cc[nH]n2)cc1C 1485977464 SRGXCDMCVZHCTI-ZDUSSCGKSA-N 318.377 0.607 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 1630401439 DFXCFLCRBICUGF-QWRGUYRKSA-N 306.322 0.522 10 10 DCCE CN(C)c1noc(CCC(=O)NCc2cc(O)ccc2O)n1 1633599004 KTMIZKSULCYZHK-UHFFFAOYSA-N 306.322 0.796 10 10 DCCE CCN(Cc1ccc(N)cc1)S(=O)(=O)C1CS(=O)(=O)C1 1917952131 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DUIONRREGRMXTR-ZDUSSCGKSA-N 306.362 0.778 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@H]2CCN=C3C2=NNN3C)c1 830544064 KUOJXUDHWOKCHC-NSHDSACASA-N 317.349 0.241 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@]3(O)CCOC3)CC2)cc1 840237136 GUWQIIUKVIOREY-MRXNPFEDSA-N 306.362 0.495 10 10 DCCE CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCCN)cc1 842222288 GWWUJMHEFNQROJ-UHFFFAOYSA-N 320.437 0.956 10 10 DCCE C[C@@H](NS(=O)(=O)c1n[nH]c(=N)s1)c1ccccc1O 1877584889 BQKNJJRBAMRNFH-ZCFIWIBFSA-N 300.365 0.696 10 10 DCCE CCOC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1625557383 CCCVZRRNYANSRT-LLVKDONJSA-N 308.334 0.987 10 10 DCCE CN(C)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1639122932 TYPXLCUYHYJHDI-LBPRGKRZSA-N 306.362 0.967 10 10 DCCE Cn1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(O)nc1=O 1643197842 UVVPQGZGPPVESW-HYXAFXHYSA-N 317.301 0.227 10 10 DCCE O=C(CNC(=O)c1ccncc1)NCc1c(O)cccc1O 1597573755 FNIZJAHBFRPGCI-UHFFFAOYSA-N 301.302 0.539 10 10 DCCE CN1c2cc(O)c(/N=N/C(N)=O)cc2C[C@H]1S(=O)(=O)O 15848217 OQVRCWUMFBNYKF-TWLKNAOBSA-N 300.296 0.761 10 10 DCCE CC(C)C(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169824467 WPORNZRENSEGRC-UHFFFAOYSA-N 308.334 0.744 10 10 DCCE COc1cc(N)c(N2CCS(=O)(=O)C[C@@H]2C)cc1OC 228720978 XNTYWSZADYRCLT-VIFPVBQESA-N 300.380 0.909 10 10 DCCE N[S@](=O)(=NCCc1ccc(O)c(O)c1)N1CCOCC1 2154243615 BIKIUBWLAOKUFQ-FQEVSTJZSA-N 301.368 0.229 10 10 DCCE COCCNCc1ccc(N(C)C(CO)CO)cc1Cl 313561868 UHUHCDUCHNLMOZ-UHFFFAOYSA-N 302.802 0.865 10 10 DCCE CN(C)c1ccc([C@@H](N)[C@@](C)(O)CCS(C)(=O)=O)cc1 2163130476 HUWNTYDRNHTCKF-KGLIPLIRSA-N 300.424 0.938 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3CCC[C@H]3O)c2n1 2062972885 PJLHLODVEHVPDJ-ZYHUDNBSSA-N 304.350 0.976 10 10 DCCE CN1C(=O)Cc2cc(N3CCN(S(C)(=O)=O)CC3)ccc21 62576051 AHSFKHATWRBBQZ-UHFFFAOYSA-N 309.391 0.287 10 10 DCCE CN(C)c1ccc2c(c1)[C@@H](CN)N(CCN1CCOCC1)C2 71683308 FNQQJQHAKULQOO-QGZVFWFLSA-N 304.438 0.900 10 10 DCCE COc1ccc(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)c(O)c1 843874128 FMIHGSAXHUNXOH-LBPRGKRZSA-N 314.363 0.051 10 10 DCCE COC[C@H]1C(=O)N[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1C 840834066 UULMGZRBXNKEKH-JKSUJKDBSA-N 318.421 0.514 10 10 DCCE CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1ccc(O)c(O)c1 767787081 QAUGYUVFBFPKHV-UHFFFAOYSA-N 321.333 0.087 10 10 DCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 890492196 GHKJPSDLRMHTPJ-SKDRFNHKSA-N 310.375 0.851 10 10 DCCE C[C@H]1C(=O)N(NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)N1C 1301132518 HQQIBWXYFWKKNZ-ZETCQYMHSA-N 318.293 0.776 10 10 DCCE CO[C@H]1C[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)C1 1329455702 LFPKXYLLAFVDQF-XBXGTLAGSA-N 305.378 0.469 10 10 DCCE Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)sc1C(N)=O 1469504753 GWUJRPHMKWJLRA-UHFFFAOYSA-N 321.358 0.821 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2[C@@H]1CCCN2CCO 1472257946 AWZZCUGKEXRAMY-KBPBESRZSA-N 320.389 0.698 10 10 DCCE NC(=O)COc1ccccc1C(=O)NCc1cc(O)ccc1O 1558174778 UDRTYBGYHGHXHK-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(N)=O 1638529718 UANWHYCBXDRQSS-NEPJUHHUSA-N 320.345 0.405 10 10 DCCE O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1ccncc1 169839065 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C[C@@H](CS(C)(=O)=O)N(C)CC(=O)c1ccc(O)c(O)c1 688492285 LIKHSRKPPYBITN-VIFPVBQESA-N 301.364 0.645 10 10 DCCE CN(C[C@@H]1CCOC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1335602455 OBRXXIJKNVQOAP-NSHDSACASA-N 304.346 0.729 10 10 DCCE CONC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1455469489 DZLXWHTUVNCKMV-UHFFFAOYSA-N 308.334 0.557 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(O)c1O 1471643096 DAHOEYWOKWIWPZ-JTQLQIEISA-N 314.363 0.138 10 10 DCCE NC(=O)N1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1641982516 CQZLIJXOVQQQMX-LLVKDONJSA-N 307.350 0.547 10 10 DCCE Cc1ccc(C(=O)NCCC(=O)Nc2ncc[nH]2)c(O)c1O 1642206383 LCPJFVSKSPASQK-UHFFFAOYSA-N 304.306 0.888 10 10 DCCE CN([C@@H]1CCN(c2ccc(CN)cc2F)C1)S(C)(=O)=O 2146917066 GADCGZLTONXWHF-LLVKDONJSA-N 301.387 0.755 10 10 DCCE NCc1cc(F)c(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(F)c1 2144171479 YBYBYQFMQUYTNU-NXEZZACHSA-N 302.346 0.904 10 10 DCCE C[C@H](C(=O)O)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 49046004 GODLFQRHKDVJLP-SSDOTTSWSA-N 322.364 0.273 10 10 DCCE NCc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Br)c1 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WPSARYUZDLTITM-UHFFFAOYSA-N 321.377 0.903 10 10 DCCE CCOC(=O)C[C@H](O)C(=O)N[C@H](C)c1cc(OC)ccc1O 1631541857 BMFOPJIUSKZIBB-RNCFNFMXSA-N 311.334 0.892 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1c(O)ncnc1O 1634944406 RWBZXIBEPONMCV-UHFFFAOYSA-N 324.333 0.938 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn2nnnc2c1 1638347737 KWEKPOKVVRRROJ-VIFPVBQESA-N 313.317 0.897 10 10 DCCE CCSC[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2188868200 NLJCIVBDEPBENF-SSDOTTSWSA-N 301.320 0.740 10 10 DCCE CSc1ncc(CNC(=O)NC[C@@](C)(O)C(=O)O)s1 2269119561 SZPHTRCXPUIEQB-SNVBAGLBSA-N 305.381 0.500 10 10 DCCE CN(C)c1ccc(CNC[C@@H](O)CN2CCOCC2)cc1F 818984565 CHFJVNWPGWPGIA-CQSZACIVSA-N 311.401 0.674 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)C[C@@H](O)CN1C 907275597 WMOQYELJXDJPIA-SIVJFFJCSA-N 308.378 0.600 10 10 DCCE CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1 852858639 FLZKYWIRMXYAQJ-AWEZNQCLSA-N 321.377 0.030 10 10 DCCE CN(C)c1ccc(/C=C\CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 895314283 KWILDSPLTQMFJW-CGXNLCPXSA-N 316.405 0.284 10 10 DCCE Cc1nc(CN2CCN(C(=O)c3cccc(O)c3O)CC2)n[nH]1 790732844 HDHCXGSOSZMXJR-UHFFFAOYSA-N 317.349 0.482 10 10 DCCE NCc1ccc(N2C[C@H](O)C[C@H]2CO)c(F)c1Br 698195065 ODJIGRJSSPTNRV-DTWKUNHWSA-N 319.174 0.979 10 10 DCCE O=C1NC2(CCN(C(=O)c3c(F)ccc(O)c3O)CC2)CO1 1457716584 NRRJIYUZOVSHRA-UHFFFAOYSA-N 310.281 0.952 10 10 DCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1455355549 CLUVRBAGQZBZCU-UHFFFAOYSA-N 316.379 0.432 10 10 DCCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1CC(C)(C)O 1616462369 GRIRYBPSWCXUJC-GFCCVEGCSA-N 322.405 0.944 10 10 DCCE O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cccc(Cl)c1O 1653563988 VULWALNDTPEYIG-VIFPVBQESA-N 311.725 0.650 10 10 DCCE COC(=O)[C@@](C)(NCCN=[N+]=[N-])[C@H]1CCCS(=O)(=O)C1 1912181708 RBLYVEUQHLKUHY-ONGXEEELSA-N 304.372 0.643 10 10 DCCE C[C@@H](CS(N)(=O)=O)NCc1cc(Br)ccc1O 1947430314 VMSVXCKXBFBZLS-ZETCQYMHSA-N 323.212 0.921 10 10 DCCE COc1cc(Br)cc([C@H](N)[C@H](O)C(=O)O)c1O 1952510803 UQAYQXBIDZWYNZ-CBAPKCEASA-N 306.112 0.609 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3cc(F)ccc3O)[C@@H]2C1 2143712510 KWWVSGKUVUVGDT-VXGBXAGGSA-N 300.355 0.102 10 10 DCCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CC(=O)NC1=O 2051507133 UQGJAIVMEFHAMX-SNVBAGLBSA-N 313.151 0.793 10 10 DCCE CCOc1cccc(CNCCS(=O)(=O)CCO)c1O 2360911378 ZLTRNNBCJOLFEJ-UHFFFAOYSA-N 303.380 0.288 10 10 DCCE COc1cccc(CNC(=O)c2cc(C(N)=O)cn2C)c1O 130927100 MGNUZAVGPLNBSE-UHFFFAOYSA-N 303.318 0.768 10 10 DCCE CN1C(=O)[C@H](N)c2ccc(N(C)[C@@H]3CCS(=O)(=O)C3)cc21 131353502 KDKAJTGDIYYLOU-ZWNOBZJWSA-N 309.391 0.286 10 10 DCCE NC(=O)COCCNCc1cccc(Br)c1O 230049376 XAWMLKYVVXGOMV-UHFFFAOYSA-N 303.156 0.746 10 10 DCCE O=C(O)CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O 90694029 PRCRWIWEDONYKC-ANTNXHBISA-N 309.274 0.545 10 10 DCCE COC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C1CCOCC1 850833677 PZNWPSYTCHVXHW-CQSZACIVSA-N 321.377 0.765 10 10 DCCE C[C@@H]1COCC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1321419982 LWJRPYADZKUFFC-IUODEOHRSA-N 319.405 0.910 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)cc1C 1321989888 DHTIQXJFGIDMCP-YUTCNCBUSA-N 319.405 0.719 10 10 DCCE Cn1nc2c(cc1=O)CN(C(=O)Cc1ccc(O)c(O)c1)CC2 1620706842 BDNYQRSEOSEKDS-UHFFFAOYSA-N 315.329 0.319 10 10 DCCE C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(N)cc1 228715569 TXMVSNBXXNNCLX-SNVBAGLBSA-N 318.420 0.218 10 10 DCCE CO[C@H](C)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 2161332561 WYEGLNNTXYLUPJ-WDEREUQCSA-N 302.396 0.990 10 10 DCCE COCCOC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 707243466 ZSIHRTQVXGDQBI-UHFFFAOYSA-N 300.380 0.446 10 10 DCCE CN(C)c1ccc([C@H](N)[C@@](C)(O)CCS(C)(=O)=O)cc1 2163130475 HUWNTYDRNHTCKF-KBPBESRZSA-N 300.424 0.938 10 10 DCCE COC[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCOC1 838256383 CCNIAHAQJDIQSC-OAHLLOKOSA-N 310.302 0.877 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCOC[C@H]2C1 756246337 IBRCACOSHVMUOW-QDOCKXBDSA-N 304.346 0.654 10 10 DCCE Nc1ccc(CS(=O)(=O)N=[S@]2(=O)CC[C@@H](N)C2)cc1 1876165128 KEGVFOIIBGRGGT-ZMZPIMSZSA-N 303.409 0.298 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)CO[C@H]3CCOC3)c2n1 2062847888 ZXCOCBLOCSBQHQ-QWRGUYRKSA-N 320.349 0.667 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1Nc1c(N)cccc1C(=O)O 2207459986 INXZOWHSNHHFIS-VHSXEESVSA-N 300.336 0.191 10 10 DCCE Cc1ccc(CNC(=O)C[C@H](O)CN)c(O)c1Br 2327584799 SCZNNWJAWNNWCJ-VIFPVBQESA-N 317.183 0.789 10 10 DCCE Cn1ccnc1CNS(=O)(=O)CCOc1ccc(N)cc1 70490882 CZFWQMUWBLJNQB-UHFFFAOYSA-N 310.379 0.501 10 10 DCCE C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCCO1 737761678 CXLAFVJODMLECF-SECBINFHSA-N 306.322 0.744 10 10 DCCE Cc1cc(O)c(CN2CCN(CC(N)=O)C(=O)C2)c(Cl)c1 840953008 KHQXSSMHHWEOHB-UHFFFAOYSA-N 311.769 0.484 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1cc(O)ccc1O 697269049 DXTCTJKTCWMJSL-YDEJPDAXSA-N 301.364 0.560 10 10 DCCE O=C(C(=O)N1CCOC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 1329381479 YLIVUJVCXXDZNV-AWEZNQCLSA-N 316.357 0.872 10 10 DCCE O=C(NCc1ccc(O)cc1O)c1nc(-c2cnccn2)no1 1626850064 OANXHWJYSWVLDB-UHFFFAOYSA-N 313.273 0.868 10 10 DCCE O=C1N=C(O)/C(=C/NNCCO)C(=O)N1CCc1ccccc1 38159921 WSFRVESJSUKILF-BENRWUELSA-N 318.333 0.118 10 10 DCCE O=C1N[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CO1 822586125 JCFKBTCMKKTEHB-ZDUSSCGKSA-N 321.402 0.964 10 10 DCCE COc1ccc(N2CCCN(C(=O)CNC(N)=O)CC2)cc1 918705909 MYBFPCIVDBRAEH-UHFFFAOYSA-N 306.366 0.402 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=S)NCC(N)=O)C2)cc1 849270994 WMWMNZQDPDFUPF-SNVBAGLBSA-N 308.407 0.223 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CCn4nncc4C3)cc2N1 848747380 GUVCDTWTVCBPMY-UHFFFAOYSA-N 316.277 0.537 10 10 DCCE COC(=O)CCNC(=O)CCNCc1c(O)cccc1OC 858293312 UBVRPGQRFDRNHD-UHFFFAOYSA-N 310.350 0.560 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 861776713 MAHYBCZRTHXONH-GJZGRUSLSA-N 317.389 0.611 10 10 DCCE CNC(=O)NC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865395817 CLRTZWTZRXMCES-UHFFFAOYSA-N 309.322 0.374 10 10 DCCE Cc1ccc(O)c(CNCCc2nnc3c(=O)n(C)ccn23)c1 886284325 UDMLYJTYHKLXKT-UHFFFAOYSA-N 313.361 0.774 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2c(O)nnc2C1 783714665 VFIJDIRVXRTYEK-DUXPYHPUSA-N 302.290 0.451 10 10 DCCE CC(C)(NS(C)(=O)=O)C(=O)NCc1cc(O)ccc1O 1643881944 LNOOLKYMRWDVJH-UHFFFAOYSA-N 302.352 0.042 10 10 DCCE CS(=O)(=O)Cc1noc(CN2CC[C@@H](CN=[N+]=[N-])C2)n1 2169817670 BDSOLEPKOUJUIL-QMMMGPOBSA-N 300.344 0.746 10 10 DCCE C[P@]1(=O)C[C@@H](O)[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 2177844777 GJLYZRYCCKEHPV-HNYWDRBLSA-N 318.335 0.424 10 10 DCCE CSc1ncc(CNC(=O)N2CC(OCC(=O)O)C2)s1 2284544937 UUZBAVFXTHAZRI-UHFFFAOYSA-N 317.392 0.860 10 10 DCCE CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](N=[N+]=[N-])[C@@H]1OC(C)=O 83261469 LMAJKBXVWKPVDF-YTWAJWBKSA-N 301.255 0.448 10 10 DCCE Nc1ccc(OCCNS(=O)(=O)NCC(F)(F)F)cc1 126104547 FGTDOXXPYMCEHQ-UHFFFAOYSA-N 313.301 0.634 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(F)ccc1O 697039844 XOOBFUJTVKMYRW-WCQYABFASA-N 303.355 0.775 10 10 DCCE CN(C)C(=O)Cn1cc(C(=O)N2Cc3cccc(O)c3C2)nn1 871200508 DKEKVHGXBNQWAC-UHFFFAOYSA-N 315.333 0.228 10 10 DCCE O=S(=O)(NCc1c(O)cccc1F)N1CCCOCC1 921450767 DZOFKZYFFYVFPU-UHFFFAOYSA-N 304.343 0.588 10 10 DCCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1N 1119611537 UYNNBHHKXAQEAP-CYBMUJFWSA-N 303.362 0.430 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 1171819388 CRTYRHDDBRLRBA-VQZOTTGWSA-N 321.329 0.805 10 10 DCCE CCS(=O)(=O)N[C@H](C)C(=O)NCc1ccc(O)cc1O 1299572068 ACDKEMAEPRNFII-MRVPVSSYSA-N 302.352 0.042 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCOC2=O)C1 1452956057 SOJLSRJHPUKJTN-NSHDSACASA-N 306.318 0.693 10 10 DCCE CN(C)c1ccc(CNC(=O)CNC2(CO)CCOCC2)cc1 1615407877 BEQJUYKKZJYMMS-UHFFFAOYSA-N 321.421 0.500 10 10 DCCE COCCOCCOCCOCCOCCOCCN=[N+]=N 1848435842 KZFRTKCDHGYEIH-UHFFFAOYSA-N 322.382 0.266 10 10 DCCE CNCc1ccc(N2CC(CO)(CO)C2)cc1Br 1914991133 XILMHKSROUTDBS-UHFFFAOYSA-N 315.211 0.960 10 10 DCCE O=S1(=O)C[C@@H](c2ccc(C(F)(F)F)cc2O)NCCN1 1952463155 KPYUODKCQDVVMK-VIFPVBQESA-N 310.297 0.975 10 10 DCCE C[C@@H]1CNCCN1S(=O)(=O)Nc1ccc(O)cc1Cl 2105930187 LZEKTSJXHPOHKD-MRVPVSSYSA-N 305.787 0.996 10 10 DCCE CN(C)c1ccc(CN(C)S(=O)(=O)N(C)CCN)cc1 2161185606 PRRVXACXPDSJJB-UHFFFAOYSA-N 300.428 0.320 10 10 DCCE C[C@H](NCCS(=O)(=O)CCC(=O)O)c1ccccc1O 2192613972 TXHBBLGBCBHCHE-JTQLQIEISA-N 301.364 0.932 10 10 DCCE CSc1ncc(CNC(=O)Cn2cc(N)ccc2=O)s1 2284555395 HBCNYSMPJFWGKD-UHFFFAOYSA-N 310.404 0.925 10 10 DCCE COC(=O)C1CCN(C(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)CC1 101103527 IBASQWANQDFONS-APPDUMDISA-N 321.373 0.972 10 10 DCCE CC1(C)[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1O 127809418 UFICDCWCUCTJSB-QWHCGFSZSA-N 314.407 0.726 10 10 DCCE COC[C@@H](C)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366929140 XJCPXOKJJDQEEZ-SECBINFHSA-N 301.364 0.821 10 10 DCCE C[C@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)[C@H](C)CO1 193340960 PEEDANFTPZMGCC-NEPJUHHUSA-N 313.423 0.755 10 10 DCCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@]23CNC[C@H]2COC3)cc1 846664370 ZDSYOUOPARMHJP-QRTARXTBSA-N 318.421 0.105 10 10 DCCE Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c(O)c1O 790233505 JILNIOWQJCRJEQ-OAHLLOKOSA-N 319.317 0.220 10 10 DCCE Nc1ccc(OCCNS(=O)(=O)C[C@H]2CCCO2)cc1 63155197 KZDBCJBYUOMDKS-CYBMUJFWSA-N 300.380 0.746 10 10 DCCE CCON(C)C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1628462795 XELPTUMTWVJPQX-UHFFFAOYSA-N 307.310 0.989 10 10 DCCE C/C(=C\C(=O)NCc1c(O)cccc1O)CN1CCOCC1 1652625342 BWNHTPDLQXSFFY-FMIVXFBMSA-N 306.362 0.993 10 10 DCCE NCc1ccc(N2C[C@H](O)C[C@@H]2CO)c(Br)c1 698184212 VTWDDXWDXUXMAT-NXEZZACHSA-N 301.184 0.840 10 10 DCCE O=S(=O)(CCNCc1ccc(O)c(O)c1O)C(F)(F)F 2232496401 GTRPBEZJEZMNGN-UHFFFAOYSA-N 315.269 0.828 10 10 DCCE COc1cc2c(cc1C=C1C(=O)NC(=S)N(C)C1=O)OCO2 2294216514 SDNCHYPNNGARSH-UHFFFAOYSA-N 320.326 0.680 10 10 DCCE CNC(=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 185948472 ISGYMQAQPIIAPQ-UHFFFAOYSA-N 309.341 0.415 10 10 DCCE CN(C)S(=O)(=O)N1CCCN(Cc2ccccc2O)CC1 368229883 XSGVFNOZQNYOIL-UHFFFAOYSA-N 313.423 0.706 10 10 DCCE COc1cccc(-c2nnc(SCC(=O)C(C)=O)n2N)c1 808025449 LLOXJQPPTJXHIW-UHFFFAOYSA-N 306.347 0.918 10 10 DCCE CC(=O)C(=O)COC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O 845206912 BNOXQGZOLLQIAN-KRWDZBQOSA-N 317.341 0.779 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)N3CC(CO)C3)C2)cc1 854298505 DGRDJULHVLVZHU-CYBMUJFWSA-N 305.378 0.908 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@@H](C)c1ccc(O)cc1O 697268879 CUIKBHIPQDFYSM-RLCGTCKNSA-N 301.364 0.560 10 10 DCCE O=C(NCc1ccccc1O)c1cc(N2CCOCC2)ncn1 866756191 SLJUNSGKUCATFN-UHFFFAOYSA-N 314.345 0.949 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@@]3(CO)C2)cc1 782612641 BMYLOVBTIQPNOA-YOEHRIQHSA-N 303.406 0.683 10 10 DCCE O=S1(=O)CCCC[C@@H]1CNCc1ccc(O)c(O)c1O 694605387 WSKZGJQYMSBWAX-SNVBAGLBSA-N 301.364 0.860 10 10 DCCE NC(=O)COC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1638398116 FFAUBDXWDCZDRF-UHFFFAOYSA-N 312.297 0.343 10 10 DCCE CNC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cn1 1651172863 JAPZPAMYMQIYPD-UHFFFAOYSA-N 301.302 0.782 10 10 DCCE CN(CCN=[N+]=[N-])S(=O)(=O)c1c(Br)nnn1C 1912171960 AWWHWTXVSYRODA-UHFFFAOYSA-N 324.164 0.508 10 10 DCCE OCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2014979562 PNVPPMXIXVDQDI-RYUDHWBXSA-N 302.168 0.873 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)CC2(CO)CC2)ccc1O 2290040484 VBDPYGIIAWVTKK-UHFFFAOYSA-N 302.308 0.815 10 10 DCCE Nc1ccc(N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 70415279 HVSPYWHJYKCTNV-UHFFFAOYSA-N 307.379 0.503 10 10 DCCE CN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@@](C)(C(=O)O)[C@@H]2C1=O 104879570 WRMPVXKXNFAZLU-USXUVBGUSA-N 304.302 0.111 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCC[C@@H]2O)cc1 323454601 VAEHXCLATQLKBU-STQMWFEESA-N 300.380 0.480 10 10 DCCE COc1cccc(O)c1CN1CCC[C@@H](CS(N)(=O)=O)C1 769385129 SYACGIIVXFAICX-LLVKDONJSA-N 314.407 0.901 10 10 DCCE Cc1cc(C(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1ccccn1 871125707 CXADVMGZYLFEKA-TZMCWYRMSA-N 303.362 0.961 10 10 DCCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 900338269 UBYOQGKXCWNVBD-AWEZNQCLSA-N 308.378 0.271 10 10 DCCE C[C@H](CNC(=O)NCc1c(O)cccc1F)S(C)(=O)=O 921638968 FOTJQTWZACLWDF-MRVPVSSYSA-N 304.343 0.764 10 10 DCCE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(O)c(O)c1 1150376707 BLSPYGXTWVOWME-UHFFFAOYSA-N 306.278 0.827 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C(=O)NCC12CCOCC2 1154727212 KYOWHLLQSQWILA-AWEZNQCLSA-N 320.345 0.052 10 10 DCCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCCO 1267156084 OEFXYWAVQDVGFI-SNVBAGLBSA-N 307.354 0.939 10 10 DCCE Cc1noc(CCNC(=O)C(=O)N(C)Cc2ccccc2O)n1 1326013394 NXHMSYHCLNYEFO-UHFFFAOYSA-N 318.333 0.401 10 10 DCCE CC(C)(CN1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 1638035391 VQNWWZZLWBOLST-UHFFFAOYSA-N 308.378 0.867 10 10 DCCE CCCNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1699073511 TXICWVUZPASWEP-LBPRGKRZSA-N 307.354 0.939 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)Cn2ncnn2)cc1C 1731591845 JIVKBXHIUYMFGG-GFCCVEGCSA-N 318.381 0.285 10 10 DCCE Nc1cccc(Br)c1N[C@@H]1CS(=O)(=O)C[C@H]1O 1907814105 JOZWKPDNOKHLHS-RKDXNWHRSA-N 321.196 0.601 10 10 DCCE COc1cccc(CNCCNS(=O)(=O)C(F)F)c1O 1964611365 DHLSJPWSFBITIG-UHFFFAOYSA-N 310.322 0.632 10 10 DCCE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccc(N)cc1 2115320706 FWIWQTZGKFDVPL-MLCYQJTMSA-N 302.421 0.551 10 10 DCCE C[C@H](N[C@@H]1COC[C@@H]1S(C)(=O)=O)c1ccc(O)cc1O 2207464413 GLGCSHQVFJVNPJ-KDDOJWQBSA-N 301.364 0.560 10 10 DCCE CC[C@@H](C)N1C(=O)C(=CNC[C@@H]2CCCO2)C(=O)NC1=S 2296935742 CHLNUKPEYHOJNV-ZJUUUORDSA-N 311.407 0.681 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@H](O)C2)cc1 70490605 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10 10 DCCE CC1CC(CNC(=O)OC(C)(C)C)(COc2nnc(=N)[nH]n2)C1 2210646050 KPWALEZRGVFLMY-UHFFFAOYSA-N 324.385 0.999 10 10 DCCE O=S1(=O)CCN(c2ccc(OCF)cc2)C2(CNC2)C1 2295970445 UFUBUCQFEWIWHP-UHFFFAOYSA-N 300.355 0.569 10 10 DCCE CN(C)c1ccc([C@@H](CN)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 36869714 SLWQCLQAHHOZDQ-HUUCEWRRSA-N 311.451 0.871 10 10 DCCE NC(=O)C1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 157716077 VSIJVGPYJKWZGM-ZZXKWVIFSA-N 315.373 0.671 10 10 DCCE CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1O)CC2 193071419 VBKNXVRTGKNVFU-SECBINFHSA-N 302.334 0.997 10 10 DCCE CCN(CCO)c1ccc(CNCCNC(C)=O)cc1OC 212676684 RERCXXXGJXTOLK-UHFFFAOYSA-N 309.410 0.740 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 808494398 CNFCXBGHHRRWAH-LSJOCFKGSA-N 309.318 0.251 10 10 DCCE CC1(C(N)=O)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1 843415108 CPTDKLSYFIQFHU-UHFFFAOYSA-N 307.369 0.970 10 10 DCCE O=C1N[C@]2(C(=O)NCc3cc(O)ccc3O)C[C@H]3C[C@H]1[C@H]2C3 1303225873 QCTSQRVMXUHZIP-LQZWOCCTSA-N 302.330 0.629 10 10 DCCE 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0.643 10 10 DCCE C[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915235274 ALJSTNLCAACWNT-ZETCQYMHSA-N 315.167 0.539 10 10 DCCE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](COc3nnc(=N)[nH]n3)C[C@H]2C1 2210649008 FABKYGBUJVILMX-GUBZILKMSA-N 322.369 0.561 10 10 DCCE COCn1nccc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234165633 FGBSKMMGNMFWGJ-BDAKNGLRSA-N 300.344 0.997 10 10 DCCE CCN(CC)CCNC=C1C(=O)NC(=S)N(C2CC2)C1=O 2296926435 MFPIROHYTLAZRJ-UHFFFAOYSA-N 310.423 0.207 10 10 DCCE COc1ccc(N2C(=O)N=C(O)/C(=C/NNCCO)C2=O)cc1 38170896 GVJVODKVWRNWCW-FLIBITNWSA-N 320.305 0.089 10 10 DCCE C[C@H](NC(=O)C(=O)[C@@H]1SC(=S)NC1=O)c1ccccc1 198720502 GSQHZOIFZZDYIS-XVKPBYJWSA-N 308.384 0.949 10 10 DCCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC(=O)N1C 282434527 ZCFPFXRJIUSRFB-ZDUSSCGKSA-N 318.421 0.531 10 10 DCCE OCc1ccc(N2C[C@H](CO)[C@@H](CO)C2)c(Br)c1 704453987 UKDIIQZXKXFNJW-GHMZBOCLSA-N 316.195 0.978 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3COCCN3)C2)cc1 851639329 DAOVTYXYFHEPJL-ZIAGYGMSSA-N 319.405 0.769 10 10 DCCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc2cccnc2c1O 862025867 BPDVSCVHTFBCEJ-LBPRGKRZSA-N 318.329 0.871 10 10 DCCE O=C1CC2(CCOCC2)N(C(=O)c2cc(O)cs2)CCN1 871367900 GXBAHZUSAQKVSP-UHFFFAOYSA-N 310.375 0.965 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2nnc(O)n2C1 1595595747 KIJKDYRLTXMOJW-VIFPVBQESA-N 304.306 0.274 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1632680674 BUKBOYVYKJPPKU-AQUOVQTQSA-N 308.334 0.178 10 10 DCCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](O)CN 1951452549 AXSISBUMHTYSJX-GWCFXTLKSA-N 312.366 0.853 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc(F)c(F)c1O 2207461095 NKLWFKGUPKBUQX-VHSXEESVSA-N 307.318 0.572 10 10 DCCE COc1ccc(Br)c(CNCCNC(N)=O)c1O 2220448302 IAQIOGCJWDGGQV-UHFFFAOYSA-N 318.171 0.921 10 10 DCCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)[nH]c1=O 100947810 XYOOZBJEWZQMCK-YFHOEESVSA-N 312.285 0.575 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC[C@H](O)C1 295416967 CFCAFDYWVYFSCZ-MRXNPFEDSA-N 321.421 0.404 10 10 DCCE Cc1cc(NS(=O)(=O)CCCN)ccc1NS(C)(=O)=O 722221996 LMHQMVCQJFZLCZ-UHFFFAOYSA-N 321.424 0.457 10 10 DCCE C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCS1(=O)=O 870744137 NMMXGQPVWJIVRV-TZGMSPROSA-N 311.359 0.757 10 10 DCCE COc1cccc(CNC(=O)C2CN(C)CCN(C)C2)c1O 907060935 QMALSTBNMJLGQH-UHFFFAOYSA-N 307.394 0.510 10 10 DCCE COc1ccc(CNC[C@](C)(NC(=O)C(N)=O)C2CC2)cc1C 1267857673 FLZCZOXRNULXOY-KRWDZBQOSA-N 319.405 0.863 10 10 DCCE CS(=O)(=O)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1468353869 BNUVJERHAOROHI-NSHDSACASA-N 313.375 0.533 10 10 DCCE CNC(=O)NCC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1491474206 SEXBYGFBAIHOJI-LBPRGKRZSA-N 322.409 0.527 10 10 DCCE Cc1nnc(N(C)Cc2ccccc2O)n1CCS(C)(=O)=O 1511779191 ODEOPZYIDCGDKE-UHFFFAOYSA-N 324.406 0.973 10 10 DCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\COC 1556101737 BEXNJFZJMQMNAJ-RXNFCKPNSA-N 323.345 0.891 10 10 DCCE Cn1nccc1[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1558599311 BGGBXBRITDMZQS-HNNXBMFYSA-N 317.345 0.974 10 10 DCCE CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)c1ccccc1O 1643738623 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DCCE CS(=O)(=O)N1CCCN(c2ccc(CO)cc2F)CC1 703168629 YDGKWACXONGMMV-UHFFFAOYSA-N 302.371 0.790 10 10 DCCE OC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O 1119766795 FPSILTFHFZRPGJ-RDJZCZTQSA-N 306.406 0.698 10 10 DCCE CCN(CC)c1ccc(CNCC(=O)Nc2nn[nH]n2)cc1 1857855612 TZHSJJZKXLIWBP-UHFFFAOYSA-N 303.370 0.774 10 10 DCCE O=S(=O)(C[C@H]1CCNC1)NCCc1ccc(O)c(O)c1 2148008343 OQBSJSJOYNKCMH-NSHDSACASA-N 300.380 0.169 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)Cc1ccc(N)cc1 1985781492 ZCQKNSRBOXBKHV-ZDUSSCGKSA-N 323.393 0.813 10 10 DCCE NCc1cc(F)c(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 2068380019 ZUSFLTDQUAAZQG-NEPJUHHUSA-N 319.174 0.979 10 10 DCCE CC1(CS(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)COC1 2287116628 NUMVFVCHGCGKIE-UHFFFAOYSA-N 301.320 0.869 10 10 DCCE C[C@@H](CC[S@@](C)=O)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 128507256 ASWZXASILUGLGA-UQKYIBTBSA-N 314.407 0.241 10 10 DCCE O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(O)c1O 187114747 CMGSAAFJJUKMKM-SSDOTTSWSA-N 318.251 0.991 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN[C@H](C)[C@H](C)CO)nc12 273908742 AGWACVOEPUEFQN-NXEZZACHSA-N 322.365 0.718 10 10 DCCE CS(=O)(=O)N1CCC[C@@H](NCc2cccc(O)c2O)C1 400229011 QUHXNFSHRCJQBB-LLVKDONJSA-N 300.380 0.611 10 10 DCCE COc1ccc(CNC(=O)c2cnc(O)n(C)c2=O)c(O)c1 794378521 XKSFKKGKQSDCDQ-UHFFFAOYSA-N 305.290 0.130 10 10 DCCE CN(C)c1ccc(/C=C/CN2CCN(CC(N)=O)CC2)cc1 835025929 OHKXVEMQVFRGNF-ONEGZZNKSA-N 302.422 0.869 10 10 DCCE O=C1CC[C@@H](N2CCN(C(=O)c3cc(O)cs3)CC2)CCN1 854883340 AQOWKLBJCBZBBD-LLVKDONJSA-N 323.418 0.880 10 10 DCCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCS(=O)(=O)N1 862025236 PTHJOEIOWCLXMM-LLVKDONJSA-N 321.358 0.248 10 10 DCCE CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 935312012 UUMDUDWJKBTELK-ZUZCIYMTSA-N 322.361 0.392 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1c1nn[nH]n1 1150802595 GBGWOQCNENZWRA-YWNRKNDBSA-N 317.305 0.224 10 10 DCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CN(C)CCN1C 1544139604 SMZSYZBQRLQSIM-AAEUAGOBSA-N 307.394 0.391 10 10 DCCE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1648003004 YTRZYGDTVBUKLM-CQSZACIVSA-N 319.361 0.840 10 10 DCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O 1654823536 FJTYRINVMNFSRE-SVRRBLITSA-N 303.311 0.400 10 10 DCCE NCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 1909041084 WYDDUDJPHZAYIC-NEPJUHHUSA-N 301.184 0.840 10 10 DCCE C[C@H](CS(N)(=O)=O)NCc1cccc(Br)c1O 1947428555 KGTIXVPOHKQKSU-SSDOTTSWSA-N 323.212 0.921 10 10 DCCE COc1cccc(O)c1CN[C@H](C)CS(=O)(=O)N(C)C 1967713152 KAIGVISVQKVWBC-SNVBAGLBSA-N 302.396 0.770 10 10 DCCE [N-]=[N+]=NCCCN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 1982249412 HHIYPKAXRXKTJM-SFYZADRCSA-N 322.291 0.541 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CC[C@H]1O 2178206306 RUMHMGGMWSRZNQ-WRWORJQWSA-N 302.308 0.813 10 10 DCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366465917 LTRUKNZIGLQEMU-NEPJUHHUSA-N 300.380 0.738 10 10 DCCE COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)cc1 187566974 AJGBCFHDYXDNJE-HZPDHXFCSA-N 320.389 0.631 10 10 DCCE C[C@@H](CCNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)[S@](C)=O 229812103 HRCHVUTYDDFRNL-UQKYIBTBSA-N 314.407 0.241 10 10 DCCE CCCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 243697518 PKQZIPXKMDVRPX-UHFFFAOYSA-N 305.378 0.870 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCOCC1=O 279158707 DLTXOOITVBZLIO-SNVBAGLBSA-N 308.334 0.004 10 10 DCCE CC(C)N(C[C@@H](C)O)C(=O)C(=O)NCc1ccc(N(C)C)cc1 785423284 VNQUVGNDIPDWIX-CYBMUJFWSA-N 321.421 0.987 10 10 DCCE CN(C)c1ccc(CN2CC(O)(c3ncnn3C)C2)cc1F 895620879 NFMYSJORWFRNRP-UHFFFAOYSA-N 305.357 0.724 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)N1CCC[C@@H](O)C1 1914142306 JAQQWXUQHLGKTJ-GFCCVEGCSA-N 300.380 0.526 10 10 DCCE CSc1ncc(CN=[S@](N)(=O)N2CCOCC2)s1 2257079581 WDVZMBYMWRPPHR-SFHVURJKSA-N 308.454 0.954 10 10 DCCE COc1ccccc1N1C(=O)NC(=O)C(=CNC2CC2)C1=O 2296932907 UZDKUBZRQGELKU-UHFFFAOYSA-N 301.302 0.914 10 10 DCCE CN(c1cc2c(cc1N)OCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 36869544 NNCQTRZYKNIBFL-MRVPVSSYSA-N 311.363 0.223 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CNC(=O)C1 194861538 CLBCSINDOZCEPK-CQSZACIVSA-N 317.389 0.618 10 10 DCCE CS(=O)(=O)N1CC[C@H](COC(=O)c2cccc(O)c2O)C1 801311501 OQTLVMHNYFVJBL-VIFPVBQESA-N 315.347 0.536 10 10 DCCE COc1cc(N2CC[C@@H](O)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC 396864486 ZRLDADFDEXBUQB-BXKDBHETSA-N 312.322 0.792 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cn(C)nn1 831925239 UIJQTDZNZDHAJZ-SNVBAGLBSA-N 304.350 0.906 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(F)c1Br 698195066 ODJIGRJSSPTNRV-IUCAKERBSA-N 319.174 0.979 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)NCC[C@H]2CCCOC2)cc1 861777544 UQLHYWPEXSJBQS-CQSZACIVSA-N 319.405 0.860 10 10 DCCE COc1ccc(O)c(CNS(=O)(=O)[C@H]2CCO[C@@H]2C)c1 785496018 TWKPTUVISYSVPL-RNCFNFMXSA-N 301.364 0.998 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H](C)C1O 1333362645 AWEHMDCPCVHTNM-VXGBXAGGSA-N 320.389 0.826 10 10 DCCE COC(=O)NCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1265754713 KGTVOGNERUBECN-GFCCVEGCSA-N 323.393 0.954 10 10 DCCE C[C@@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)c1ccccc1O 1632247299 YHRKDJPSUMYYBH-SSDOTTSWSA-N 310.335 0.254 10 10 DCCE Cc1ccc(O)c(CNCCC(=O)NCCN2CCOCC2)c1 1857861658 CGGVLOJPNSZJER-UHFFFAOYSA-N 321.421 0.629 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)N2CCOCC2)C1 1912181966 VQBLIOTUIUPYJC-LLVKDONJSA-N 303.388 0.976 10 10 DCCE [N-]=[N+]=N[C@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1912161666 MCERTFUIJSMUFL-VHSXEESVSA-N 301.372 0.064 10 10 DCCE C[C@H]1C[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)CO1 402118257 DDODUJZOXHPXTN-CMPLNLGQSA-N 300.380 0.744 10 10 DCCE NCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Br 317685578 QJRSQYNEVHQYOG-SKDRFNHKSA-N 301.184 0.697 10 10 DCCE COc1cc(N)c(N2CC[C@H](S(N)(=O)=O)C2)cc1OC 707501284 UUFAKOWJBONTBD-QMMMGPOBSA-N 301.368 0.153 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]([C@@H](C)O)C3)c2n1 2065147014 MPPIHECCIRIPEK-GHMZBOCLSA-N 304.350 0.976 10 10 DCCE CO[C@@H]1CNC[C@H]1S(=O)(=O)NCc1cccc(C)c1O 2204624839 RAODRKKFFAGLTO-VXGBXAGGSA-N 300.380 0.107 10 10 DCCE O=S(=O)(CCNCc1cc2c(cc1O)OCO2)C(F)F 2232498799 PNQFVBFFOYWUDH-UHFFFAOYSA-N 309.290 0.848 10 10 DCCE 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0.476 10 10 DCCE CN[C@H]1C(=O)Nc2cc(N3CCNC(=O)[C@H]3C)c(Cl)cc21 252609115 STGMOORYMWEJEC-JMCQJSRRSA-N 308.769 0.877 10 10 DCCE CN(C)C(=O)CCN1CCN(C(=O)c2cc(O)cs2)CC1 755288296 FMLLVYJUYAKGLX-UHFFFAOYSA-N 311.407 0.690 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)CNC(N)=O)C2)cc1 819580713 NXNFYXZCZRKKCD-LLVKDONJSA-N 306.366 0.306 10 10 DCCE COc1cccc(O)c1CN1CCN(S(C)(=O)=O)[C@H](C)C1 827271876 VSYOZQRGLYLWCA-LLVKDONJSA-N 314.407 0.867 10 10 DCCE C[S@](=N)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1457981028 JGNWDESFHOMZFN-OAQYLSRUSA-N 317.342 0.586 10 10 DCCE CC(=O)C(=O)[C@@H](O)c1cn(C)nc1I 1929246209 JTUYOUWIZGYLLP-ZETCQYMHSA-N 308.075 0.216 10 10 DCCE NCc1cc(F)c(N2CCC2(CO)CO)cc1Br 2073919796 HXLXAUTYVDQDRO-UHFFFAOYSA-N 319.174 0.980 10 10 DCCE CN(C)c1ccc([C@H](N)[C@H](O)C(C)(C)S(C)(=O)=O)cc1 2166708687 DDYQBUHAMYKWAX-STQMWFEESA-N 300.424 0.937 10 10 DCCE CSc1ncc(CNC[C@H]2CS(=O)(=O)C[C@H]2CO)s1 2269319744 WGVSZHLQUCACJH-DTWKUNHWSA-N 322.477 0.608 10 10 DCCE CCS(=O)(=O)N1CC(CNCc2ccc(OC)cc2O)C1 190284541 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COc1cc(C(=O)N[C@H](C)CNC(=O)[C@H]2C[C@@H]2C)cc(OC)n1 1688171069 FBUKEQIXUOOAEC-UMNHJUIQSA-N 321.377 0.989 10 10 DCCE C[C@H](NCC1CN(S(C)(=O)=O)C1)c1cc(O)ccc1O 2233057043 PPVFAIHNKAHUGH-VIFPVBQESA-N 300.380 0.640 10 10 DCCE CCOC(=O)[C@]1(NCCN=[N+]=[N-])CCC[C@H]1S(C)(=O)=O 90257678 ZZMBVYGAFXLPMQ-KOLCDFICSA-N 304.372 0.785 10 10 DCCE O=C(O)[C@@H]1CS[C@H](C2CC2)N1C(=O)c1cc(O)nc(O)c1 111434783 GKVAROHBVCBFMC-QPUJVOFHSA-N 310.331 0.871 10 10 DCCE NC(=O)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 175297985 OODNQMRMUKVTEL-UHFFFAOYSA-N 308.293 0.677 10 10 DCCE NCc1ccc(N(CCO)CCO)c(F)c1Br 231839235 RFMHEWPYXNXNNW-UHFFFAOYSA-N 307.163 0.838 10 10 DCCE O=C1NC(=O)[C@]2(CCCN(Cc3cc4c(cc3O)OCO4)C2)N1 279339545 DZHHOWYKOSCORD-OAHLLOKOSA-N 319.317 0.295 10 10 DCCE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCOc1ccc(N)cc1 385270511 SLTIVUPTJFQVJL-ZYHUDNBSSA-N 300.380 0.433 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@](F)(CO)C3)cc2N1 801683410 ZKSUIDQSJLRTLM-CYBMUJFWSA-N 311.269 0.836 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)Cn3cncn3)C2)cc1 855233302 WYRSYOCYRJZQEG-LBPRGKRZSA-N 301.350 0.682 10 10 DCCE Cc1ccc(C(=O)N[C@@H](C(N)=O)c2ccccn2)c(O)c1O 1298371483 GDMKBBWAJYDWDZ-LLVKDONJSA-N 301.302 0.758 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H](c2cn[nH]c2)C1 1557831134 BQCFQUIARPLMIB-GFCCVEGCSA-N 302.334 0.537 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)CNC(C)=O)cc1C 1566994237 AAURVEXVRBRUCN-GFCCVEGCSA-N 307.394 0.734 10 10 DCCE CN(C)CCCN(C)CCNC(=O)Cc1ccc(O)c(O)c1 1584194667 DBKRXQCBXHSLGQ-UHFFFAOYSA-N 309.410 0.640 10 10 DCCE C[C@H](Oc1ccc(N)cc1)C(=O)NCCN1C(=O)CSC1=O 1860082885 WVUAZTBLOPWGHV-VIFPVBQESA-N 323.374 0.848 10 10 DCCE CC[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(N)cc1 2146291437 WNZVDOPBNQLBQQ-LBPRGKRZSA-N 320.436 0.511 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3ccc(Cl)cc3O)[C@H]2C1 2146307512 ARTUBXUHOOPOIF-NEPJUHHUSA-N 316.810 0.616 10 10 DCCE C[C@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Cl)c1 2146330265 WTPDJXMAVNWPDK-HERUPUMHSA-N 300.786 0.918 10 10 DCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c(F)c1 2162674098 CFFXQSYHCRSGIR-WCQYABFASA-N 300.355 0.410 10 10 DCCE O=C(NC1CN(C(=O)C=Cc2ccc(O)c(O)c2)C1)C1CC1 2310351184 NJJPWCXCQRYSHE-UHFFFAOYSA-N 302.330 0.848 10 10 DCCE COC(=O)[C@@H]1C[C@H]1c1csc(NN(C)S(C)(=O)=O)n1 2339731063 UWZWHRHPQRNJDK-RNFRBKRXSA-N 305.381 0.638 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCN(CCO)CC1 96785299 MGOLPBDFOYGHBV-LBPRGKRZSA-N 308.378 0.413 10 10 DCCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(F)c(F)c2F)C1=O 169996392 SEOINFPUSTXPCH-YFKPBYRVSA-N 301.224 0.552 10 10 DCCE COc1cc(CN2CCCNCC2)ccc1N1CCNCC1 212639198 FOKGCTHFGKQPEP-UHFFFAOYSA-N 304.438 0.900 10 10 DCCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H](O)C2CCOCC2)cc1 843298135 MPXSTHAITPXKCZ-CVEARBPZSA-N 321.421 0.656 10 10 DCCE Cc1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)c(O)c1O 855409516 UAINGQKRIXNIED-HNNXBMFYSA-N 311.334 0.304 10 10 DCCE CN1CCO[C@@H](CS(=O)(=O)NCc2ccccc2O)C1 866828926 CYZSMYVECQBRNP-GFCCVEGCSA-N 300.380 0.142 10 10 DCCE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(O)c1O 1471780132 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CCn1c(S)nnc1CNC(=O)Cc1ccc(O)c(O)c1 1292985965 NMMVTIJWFHTTTJ-UHFFFAOYSA-N 308.363 0.857 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2nncn2CC1 1545639489 QHZQTKNZRGDKOZ-LLVKDONJSA-N 302.334 0.958 10 10 DCCE COC(=O)/C=C\c1ccc(N(CCO)CCCO)c([N+](=O)[O-])c1 1772833381 FTSFQJIHZLBMGG-XQRVVYSFSA-N 324.333 0.962 10 10 DCCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CC[C@@H]1O 165993446 UOUMMTUKEFGZTA-FZMZJTMJSA-N 314.407 0.680 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 40348712 CHGPNIKNYSVPNA-NSHDSACASA-N 318.420 0.123 10 10 DCCE C[C@](C[C@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2156787120 PBFWXDUVKQWPAT-MWLCHTKSSA-N 303.388 0.488 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CCOC2)cc1C 1278054117 OCIMKQJCMNFDEI-HUUCEWRRSA-N 322.405 0.607 10 10 DCCE COc1ccc(N2CCN(c3ncnc(N)c3N)CC2)cc1 40723729 IQIXZCIIZPTKBX-UHFFFAOYSA-N 300.366 0.976 10 10 DCCE C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 194319706 APEYHNSMLJDTID-GFCCVEGCSA-N 320.393 0.538 10 10 DCCE NC(=O)NCCC(=O)NCc1cc(Br)ccc1O 804738525 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Cc1cc(O)n2ncc(C(=O)NCCc3ccn(C)n3)c2n1 2062381319 KJQXFDIGMXIIRQ-UHFFFAOYSA-N 300.322 0.449 10 10 DCCE NCc1ccc(N2CC(O)(CCO)C2)c(F)c1Br 2258306567 LOUMXIKAWOJFQS-UHFFFAOYSA-N 319.174 0.980 10 10 DCCE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)Cc1ccccc1O 109773710 TZCCKPVPKJRWQH-LBPRGKRZSA-N 319.405 0.950 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCNC1 722224411 QJMPGYGBBUNDAX-MRVPVSSYSA-N 301.324 0.652 10 10 DCCE C[C@]1(CO)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118941397 BQHBFKZLPIBPEI-KRWDZBQOSA-N 318.373 0.855 10 10 DCCE CN(C)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1146987612 ZQNDFKCQYZVNDP-UHFFFAOYSA-N 308.378 0.867 10 10 DCCE CO[C@H]1C[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1331610615 UQFYWCRLVJOMJT-CTYIDZIISA-N 319.405 0.910 10 10 DCCE CCOC(=O)Cn1cnc(NC(=O)c2cccc(O)c2O)n1 1627117886 VYIWUZNAXONVEW-UHFFFAOYSA-N 306.278 0.505 10 10 DCCE O=C(CNC(=O)c1cccc(O)c1)NCc1cccc(O)c1O 1644710876 MMLPDYATDKJVPD-UHFFFAOYSA-N 316.313 0.850 10 10 DCCE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H](CO)O1 162868328 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CC(=O)C(=O)COC(=O)[C@@H](Cc1ccccc1)n1nnnc1C 808544499 OCFQVDXFKJWTHG-CYBMUJFWSA-N 316.317 0.467 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)NCC(=O)N(C)C)C2)cc1 851923801 UXSXQTIHRYZDBG-LBPRGKRZSA-N 320.393 0.661 10 10 DCCE COC(=O)c1cc(OCN(C)S(C)(=O)=O)ccc1N(C)C 865396657 YAXBUTBQTKBVGJ-UHFFFAOYSA-N 316.379 0.767 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1N 1335710657 BYSNHCFIWDHIIS-GWCFXTLKSA-N 303.362 0.430 10 10 DCCE Cc1ccc(C(=O)NCC(C)(C)CS(N)(=O)=O)c(O)c1O 1587418696 ADAMBEAFXAMABN-UHFFFAOYSA-N 316.379 0.451 10 10 DCCE Cn1cc([C@H](NC(=O)c2cccc(O)c2O)c2ncon2)cn1 1637752888 OROTTXFIASNOPM-NSHDSACASA-N 315.289 0.734 10 10 DCCE COc1ccc(O)c([C@@H](C)NC[C@@H]2CCS(=O)(=O)N2)c1 1967534395 SKFJAMBQYSTSEB-ZJUUUORDSA-N 300.380 0.743 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c2n1 2062272003 FLESTSVTALHKBR-VIFPVBQESA-N 303.322 0.046 10 10 DCCE COc1ccc(CNC[C@@H]2CCS(=O)(=O)N2C)c(O)c1 2145349267 PQUDBALWHVSOBR-NSHDSACASA-N 300.380 0.524 10 10 DCCE CSc1ncc(CNS(=O)(=O)c2ncn(C)c2O)s1 2269281930 ZSHKYAYIPNETDN-UHFFFAOYSA-N 320.421 0.783 10 10 DCCE CSc1ncc(CNC(=O)NC[C@@](C)(O)CC(=O)O)s1 2284544443 PKWVHOCREBCQKF-NSHDSACASA-N 319.408 0.890 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)C(=CNCC(=O)O)C2=O)cc1 2297534476 SAMVBCSVMDIIMF-UHFFFAOYSA-N 303.274 0.136 10 10 DCCE C[C@H](N)c1ccc(N2CC(=O)NC(=O)C2)c(Br)c1 97268845 WVJSXRQQKHNDKO-ZETCQYMHSA-N 312.167 0.932 10 10 DCCE CS(=O)(=O)N1CCN(c2ccc(CN)c(F)c2F)CC1 235040394 QNXLYKSCXIVKMP-UHFFFAOYSA-N 305.350 0.505 10 10 DCCE CN(C(=O)C[S@](=O)CC[S@](C)=O)c1ccc(N)cc1 320089622 DCQJOAIZDRQQQQ-RBUKOAKNSA-N 302.421 0.359 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CCN3CCOC[C@@H]3C2)c1O 375717083 FFIXNUICTNDISN-LBPRGKRZSA-N 323.349 0.825 10 10 DCCE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC(=O)N2)cc1F 1350480233 QBLFJSGNTLOAKD-NSHDSACASA-N 308.357 0.970 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@@H](C)N(C)C3CC3)c2n1 2063503862 CNEHPVYASLBBMQ-SNVBAGLBSA-N 303.366 0.956 10 10 DCCE CN1C(C)(C)[C@@H](NCc2ccc(O)cc2O)CS1(=O)=O 2151101860 PBPDXZTVUKWAIV-LBPRGKRZSA-N 300.380 0.610 10 10 DCCE C[C@H](O)c1ccc(N(C)C2CS(=O)(=O)C2)c([N+](=O)[O-])c1 2152234222 QVCOFUOEVKTWTF-QMMMGPOBSA-N 300.336 0.881 10 10 DCCE CSc1ncc(CNC(=O)N2C[C@@H](O)C[C@@H]2C(=O)O)s1 2284502860 ZHZCRYNWIQBPEH-POYBYMJQSA-N 317.392 0.594 10 10 DCCE COc1ccccc1N1C(=O)NC(=O)C(=CNCCCO)C1=O 2297315438 XENYPMVMQBCRJG-UHFFFAOYSA-N 319.317 0.134 10 10 DCCE Cn1nc(Br)c(=NC(=O)c2cccc(O)c2O)[nH]1 2320066393 CRKJVAVONSWOIP-UHFFFAOYSA-N 313.111 0.663 10 10 DCCE CS(=O)(=O)CCNC(=O)c1ccn(-c2ccc(N)cc2)n1 37750169 XHLANODMHDYHGE-UHFFFAOYSA-N 308.363 0.229 10 10 DCCE CNC(=O)CC(=O)NCc1ccc(N2CCSCC2)cc1 131693238 LFPYSKNIPIOSII-UHFFFAOYSA-N 307.419 0.992 10 10 DCCE CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(O)c1O)CC2 193071429 VBKNXVRTGKNVFU-VIFPVBQESA-N 302.334 0.997 10 10 DCCE CNC(=O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255276979 ZOKJJRBZFHYGEG-DAXSKMNVSA-N 303.362 0.399 10 10 DCCE CN(CCN1CCCS1(=O)=O)C(=O)Cc1ccc(N)cc1 843508377 RLHNVCDTWGWJEE-UHFFFAOYSA-N 311.407 0.305 10 10 DCCE COc1c([N+](=O)[O-])ccc(CNC[C@@H]2COCCN2C)c1O 862508664 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O=C1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CN1 194873683 PDTSOQRVVRMJDU-CYBMUJFWSA-N 319.430 0.992 10 10 DCCE Cc1ccc(O)c(CN2CCN(C(=O)N3CCNCC3)CC2)c1 530241201 DCAXSOVBWGMZNN-UHFFFAOYSA-N 318.421 0.843 10 10 DCCE COc1cccc([C@@H](C)NC[C@@]2(CO)COCCN2C)c1O 903279177 PKNXKXRYTOTSHS-MLGOLLRUSA-N 310.394 0.745 10 10 DCCE COc1ccc(CNCC[C@H]2CNCCS2(=O)=O)cc1C 903968814 OPOAPCPZOVIFCL-AWEZNQCLSA-N 312.435 0.870 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3(O)CCOCC3)C2)cc1 855225448 JCFWEJSAJAJLPP-ZDUSSCGKSA-N 320.389 0.932 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1ccc(O)cc1O 697268878 CUIKBHIPQDFYSM-LJUAHTATSA-N 301.364 0.560 10 10 DCCE C[C@@H](CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)C(=O)O 868343689 RUXQESMJKMOBIT-VIFPVBQESA-N 306.318 0.414 10 10 DCCE C[C@](O)(Cn1ccccc1=O)C(=O)NCc1ccccc1O 790603486 LRWVUSYTARRLJE-INIZCTEOSA-N 302.330 0.621 10 10 DCCE C[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCS1(=O)=O 1304017997 AMVGSEYEZBQAPN-ONGXEEELSA-N 313.375 0.722 10 10 DCCE C[C@H](NC(=O)C(=O)N[C@@H]1[C@H]2COC[C@H]21)c1ccc(N(C)C)cc1 1324894620 VYXYDARWYLEVOI-BSLXNSKLSA-N 317.389 0.691 10 10 DCCE CC[C@H](COC)NS(=O)(=O)CCOc1ccc(N)cc1 83755611 YXFBVWSUDYSORR-GFCCVEGCSA-N 302.396 0.992 10 10 DCCE C[C@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(N)cc1 688540083 FQTJGBNZQRSEJH-SNVBAGLBSA-N 300.380 0.539 10 10 DCCE CS(=O)(=O)[C@H]1CSCCN1C(=O)Cc1ccc(N)cc1 90921593 LYUPZUUQUFWNPZ-ZDUSSCGKSA-N 314.432 0.757 10 10 DCCE N=c1nn[nH]n1-c1cccc(C(=O)NCc2ccccc2O)c1 1465990926 XOEDWZHPNASSHD-UHFFFAOYSA-N 310.317 0.710 10 10 DCCE CCN1CCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 1629923703 JKCCGRVABQFJGX-UHFFFAOYSA-N 321.421 0.784 10 10 DCCE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)cc1 1620644066 XKTIXAZJJPCDQC-AWEZNQCLSA-N 305.378 0.568 10 10 DCCE CC[C@H]1SC(=S)N(CC(=O)NC[C@@H]2CCCO2)C1=O 11635671 JPYMORDXHVCNFH-DTWKUNHWSA-N 302.421 0.921 10 10 DCCE CN(C)c1ccc([C@@H](O)[C@H](N)CCCS(C)(=O)=O)cc1 2147680441 XKBDVSIWUZOJGO-ZIAGYGMSSA-N 300.424 0.938 10 10 DCCE O=C(O)CCCS(=O)(=O)NCCc1ccc(O)c(O)c1 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CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236169416 YXDMPVNPEKIBQP-UHFFFAOYSA-N 324.336 0.087 10 10 DCCE COc1ccc(C=C2SC(N(CCO)CCO)=NC2=O)cc1 2294850880 SZIABHIJACJSAK-UHFFFAOYSA-N 322.386 0.952 10 10 DCCE COc1cccc(N2C(=O)NC(=O)C(=CNC3CC3)C2=O)c1 2296930544 RPFOPDNLDDKXDV-UHFFFAOYSA-N 301.302 0.914 10 10 DCCE COC1CC(NS(=O)(=O)CCOc2ccc(N)cc2)C1 234708307 OBZULEOHGTUXJR-UHFFFAOYSA-N 300.380 0.744 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCOC2)c1 264365552 IJBBVIZITOMBMP-SNVBAGLBSA-N 314.363 0.673 10 10 DCCE COC(=O)/C=C/c1ccc(N(C)C[C@H](O)CO)c([N+](=O)[O-])c1 271270213 LQNSPSYROPVVRF-MALLOTDXSA-N 310.306 0.570 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](Oc2ccncn2)C1 585344401 ONUIJQRVUBVGAE-LLVKDONJSA-N 316.317 0.966 10 10 DCCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)CC(F)F 694082244 CZFQPWQVFOVRIS-UHFFFAOYSA-N 307.322 0.151 10 10 DCCE COCCCS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722438227 DUTNVCRAROQDEV-LBPRGKRZSA-N 303.380 0.460 10 10 DCCE CN(C)c1ccc(CN2CCn3c(CO)nnc3C2)cc1F 769517676 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COc1ccc(CNS(=O)(=O)[C@H]2CCO[C@H]2C)c(O)c1 795357459 QAIZPLRKXDGAMO-ZANVPECISA-N 301.364 0.998 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)cc1 855222958 DSVURVPDXBNACG-FZMZJTMJSA-N 318.377 0.414 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)c1cnn2c(=O)cc[nH]c12 1150378980 ZINXATSAJYRGIZ-UHFFFAOYSA-N 300.274 0.364 10 10 DCCE COc1ccc(CN[C@H]2CCN(C(=O)CNC(C)=O)C2)cc1C 1266504432 BWSJWKVZGGEQSJ-HNNXBMFYSA-N 319.405 0.830 10 10 DCCE Cn1[nH]c(C2CCNCC2)nc1=NC(=O)Cc1ccc(N)cc1 1345911965 GGVSTNKFTYDGIL-UHFFFAOYSA-N 314.393 0.467 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1n[nH]c(O)n1 1556157881 LVSKMGAZOOQOPH-ZETCQYMHSA-N 324.362 0.761 10 10 DCCE C[C@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(N)=O 108909029 BMGXAVZNUPWNAZ-NTYUQYKDSA-N 304.346 0.953 10 10 DCCE C[P@@]1(=O)C[C@@H](O)[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2356975540 YSEKNALTUILUJI-HDVFXDGXSA-N 301.235 0.269 10 10 DCCE COC(=O)/C=C\c1ccc(N2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 747819886 RXCCIWOGINOBRJ-VFWWJLHSSA-N 308.290 0.323 10 10 DCCE CCOc1ccc(CN2CCN(CCN(C)C)C(=O)C2)c(O)c1 846011604 OYBAGJUBTVHZTR-UHFFFAOYSA-N 321.421 0.997 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(F)c1Br 698195064 ODJIGRJSSPTNRV-BDAKNGLRSA-N 319.174 0.979 10 10 DCCE CN1CCN(NCc2ccc(N3CCCNCC3)cc2)CC1 84846323 HDENFWBTNXCINM-UHFFFAOYSA-N 303.454 0.738 10 10 DCCE CN(C)c1ccc(/C=C/CNCCC(=O)NCC(=O)O)cc1 1332473788 REPVXLPRKBITNO-ONEGZZNKSA-N 305.378 0.946 10 10 DCCE COc1ccc(CN[C@H](CO)CNC(=O)c2cocn2)cc1C 1278054834 WUTWQFBUHAQILW-ZDUSSCGKSA-N 319.361 0.872 10 10 DCCE CCC[C@H](C(=O)NCc1ccc(O)cc1O)S(N)(=O)=O 1557084632 IBHQPRNYOJKADT-LLVKDONJSA-N 302.352 0.171 10 10 DCCE O=C(NCc1c(O)cccc1O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 1635847536 PIRLIHXMPMQIAO-VIFPVBQESA-N 316.317 0.490 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](CNCCO)C2)cc1 1662733350 NGABAGOZPGTRSP-NSHDSACASA-N 319.365 0.893 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)cc1Cl 2146328485 GOQIJPPFSJUJCX-FZQKWOKYSA-N 300.786 0.918 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H](CCO)C(F)(F)F)c2n1 2064243627 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CN(C)c1ccc(CN(C)S(=O)(=O)c2cnc(N)nc2)cc1 913860233 IALPNWXBQYLMBP-UHFFFAOYSA-N 321.406 0.946 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCC(O)CC1 1140920887 LLZQMPAQXRESIA-RQOWECAXSA-N 306.362 0.684 10 10 DCCE CCn1cc(CNC(=O)c2cccc(O)c2O)c(O)nc1=O 1175578388 DIKWCUQDIFRIQZ-UHFFFAOYSA-N 305.290 0.310 10 10 DCCE O=C(C(=O)N1CC[C@@H]2CNC[C@@H]21)N1Cc2cccc(O)c2C1 1261875737 PPZOIDRBCKBQFX-MFKMUULPSA-N 301.346 0.055 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)CN1 1351982831 LJCQQMNGYNDVSZ-GHMZBOCLSA-N 303.362 0.443 10 10 DCCE COc1cc(OC)nc(C(=O)NCc2c(O)cccc2O)n1 1639292646 LLKONKVUWYYZHB-UHFFFAOYSA-N 305.290 0.835 10 10 DCCE CS(=O)(=O)c1ccsc1[C@@H](NCCN=[N+]=[N-])C(N)=O 1912197125 PEJMOQZDIZKVTL-SSDOTTSWSA-N 303.369 0.578 10 10 DCCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2046520293 HTTJXBIWQRWPOF-QTKMDUPCSA-N 318.167 0.099 10 10 DCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)N)cc1Cl 2234064481 GJGVPEBEZQLXDS-OKVQYTGBSA-N 300.786 0.917 10 10 DCCE 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10 10 DCCE O=C(O)[C@]1(O)CCN(Cc2cc(Cl)ccc2O)C[C@@H]1O 2197474214 PQVJVPUDSTYLNN-AAEUAGOBSA-N 301.726 0.428 10 10 DCCE O=C(O)[C@@]1(O)CCN(Cc2cc(Cl)ccc2O)C[C@@H]1O 2197474216 PQVJVPUDSTYLNN-WCQYABFASA-N 301.726 0.428 10 10 DCCE COc1ccc(Br)c(CN[C@@H]2CONC2=O)c1O 2220461937 DMDLPKBYYFBMAM-MRVPVSSYSA-N 317.139 0.683 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)cc1 74689071 CJZVBHSCPBLPFP-OAHLLOKOSA-N 317.389 0.965 10 10 DCCE CN(Cc1cc[nH]n1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 732677971 HQNCTVGOCOGQPA-UHFFFAOYSA-N 324.362 0.759 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(O)n(C)c1=O 819761655 YMVUANSWUKYNIF-UHFFFAOYSA-N 324.333 0.607 10 10 DCCE C[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1S(C)(=O)=O 855822295 HRYAMOZTVFTOBM-MRVPVSSYSA-N 304.393 0.560 10 10 DCCE CCN1C[C@H](S(=O)(=O)N[C@H](C)c2ccccc2O)CC1=O 867835027 QGAWVWFCDKBBMS-GHMZBOCLSA-N 312.391 0.993 10 10 DCCE C[C@H](NC(=O)NCC(=O)N1CCOCC1)c1ccccc1O 868479969 OFDSYWLDULUZKM-NSHDSACASA-N 307.350 0.611 10 10 DCCE 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Cc1cc(O)n2ncc(C(=O)N[C@H](C)c3ccnn3C)c2n1 2063370319 ONWBLXHWLLZXMJ-SECBINFHSA-N 300.322 0.968 10 10 DCCE CCN1CCC[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1=O 2063930588 QWCIUOWRZMNJAW-LLVKDONJSA-N 317.349 0.484 10 10 DCCE C[C@H]1CN(C(=O)c2cc(O)c(O)c(O)c2)CCS1(=O)=O 2188874352 GKDRCUUNMNGQSD-ZETCQYMHSA-N 301.320 0.063 10 10 DCCE NCc1cc(F)c(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)cc1Cl 2289485422 KOFFFZVTCDANMY-HJIKLVIJSA-N 304.749 0.088 10 10 DCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1F 2162677030 SCKMLVDXQATRKP-NWDGAFQWSA-N 300.355 0.410 10 10 DCCE COc1cccc([C@@H](C)NC[C@]2(CO)COCCN2C)c1O 903279180 PKNXKXRYTOTSHS-WBMJQRKESA-N 310.394 0.745 10 10 DCCE CCNC(=O)CN1CCN(Cc2cc(C)cc(OC)c2O)CC1 754722466 CMXYCJUIYLUKKB-UHFFFAOYSA-N 321.421 0.963 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)cc1 855222960 DSVURVPDXBNACG-SMDDNHRTSA-N 318.377 0.414 10 10 DCCE NC(=O)[C@@H]1CCCN(c2ccc(CNC3=NCCCN3)cc2)C1 750543452 ZHXOAHJORHHIHE-CQSZACIVSA-N 315.421 0.827 10 10 DCCE 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161690682 CJUHDGZJXYANIS-CQSZACIVSA-N 310.419 0.971 10 10 DCCE CN([C@@H]1CCN(Cc2cc(F)ccc2O)C1)S(C)(=O)=O 2146949224 AJXYWNBEOLJYGO-GFCCVEGCSA-N 302.371 0.997 10 10 DCCE COCCNCc1cnc(Sc2nc(N)cc(=N)[nH]2)s1 2155334089 ICUDNSNSRWDEQG-UHFFFAOYSA-N 312.424 0.815 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 69140783 SDAWNXWYERVWET-LBPRGKRZSA-N 318.420 0.265 10 10 DCCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)[C@H](C)CO)cc1 2157796082 QXJFFXATQOBQOF-SECBINFHSA-N 322.408 0.571 10 10 DCCE CCN1CC[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1=O 2063176059 WYPXIDJUALTTHD-JTQLQIEISA-N 303.322 0.094 10 10 DCCE C[S@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1CCNC1 2191538791 NARAYHDVJGRVPH-CWTRNNRKSA-N 317.436 0.558 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2201035481 QPIGVNHKAGWRDY-ULTHFGNCSA-N 300.786 0.523 10 10 DCCE COc1cc(OC)c(N2C[C@H](O)[C@@H](O)[C@@H]2CO)cc1Cl 2285906639 NZHSFPKREIGRNQ-KWBADKCTSA-N 303.742 0.260 10 10 DCCE CC(=O)O[C@H]1CO[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O 6761552 LMAJKBXVWKPVDF-ZDCRXTMVSA-N 301.255 0.448 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2C[C@H](F)[C@@H](F)C2)cc1 714653541 CZCBFIJKMDVYPU-RYUDHWBXSA-N 306.334 0.969 10 10 DCCE CN(Cc1ccccc1O)C(=O)c1ccc(S(N)(=O)=O)cn1 770552077 GZBAPBGVIGUSJV-UHFFFAOYSA-N 321.358 0.707 10 10 DCCE O=S1(=O)CC[C@@]2(CN(Cc3cc(F)ccc3O)CCO2)C1 843426333 SYHPPQPRTRUWFL-CQSZACIVSA-N 315.366 0.921 10 10 DCCE O=C(c1cccc(O)c1O)N1CCO[C@H](CN2CCOCC2)C1 1332145645 FIWGONUWAFHAIA-GFCCVEGCSA-N 322.361 0.271 10 10 DCCE C[C@@H](O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 1467369136 HYUZLALFPNSAGQ-VXGBXAGGSA-N 308.378 0.554 10 10 DCCE C[C@]1(CC(=O)NCc2ccc(O)c(O)c2)CCS(=O)(=O)N1 1631439006 RPDJLKOCYUWXSE-CYBMUJFWSA-N 314.363 0.186 10 10 DCCE CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](CO)C1 1641533425 FHVHEAPQOPTZGI-GFCCVEGCSA-N 305.338 0.598 10 10 DCCE COc1ccc(O)c(CN(C)CCN(C)S(C)(=O)=O)c1 1971683581 ZPYMJPKEUYTEED-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE CO[C@@H]1C[C@@H](O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2165318110 FLUAUPQUIBQQSX-CHWSQXEVSA-N 300.380 0.180 10 10 DCCE Nc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1O 2236145756 AFIYSMMXQYBYRB-UHFFFAOYSA-N 320.392 0.293 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCCOCC2)cc1 70490865 PPZADTVGLIJWHO-UHFFFAOYSA-N 300.380 0.700 10 10 DCCE COC(=O)c1c(O)c(O)cc2oc3c(c(=O)c12)CO[C@@](C)(O)C3 225447931 ASPYFUBXNRBCEV-OAHLLOKOSA-N 322.269 0.772 10 10 DCCE biogenic C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)(C)O 393961932 UXXLDOVTMAOUTF-JTQLQIEISA-N 302.396 0.726 10 10 DCCE COc1cccc(CN2CCN(c3nncn3C)CC2)c1O 848924800 BBQITJAKPFZKQM-UHFFFAOYSA-N 303.366 0.852 10 10 DCCE C[C@@H](NC(=O)[C@]1(O)CCOC1)c1ccc(N2CCOCC2)cc1 1292236546 WPCHLIKCNJBGLA-DYVFJYSZSA-N 320.389 0.852 10 10 DCCE O=C(NC[C@H]1CCS(=O)(=O)C1)c1c(F)ccc(O)c1O 1558910033 LHRXLPWHQZYGKN-SSDOTTSWSA-N 303.311 0.401 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H](C)[C@H](O)C(=O)O)CC2)cc1 1858168517 UHJKFAZKCVSKQS-RISCZKNCSA-N 322.361 0.425 10 10 DCCE COC(=O)[C@@](C)(NCCCN=[N+]=[N-])[C@@H]1CCS(=O)(=O)C1 1912187060 FEJOUXOKUURZCU-KOLCDFICSA-N 304.372 0.643 10 10 DCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O 1912198617 IXRAWOMUDVXXLS-JTQLQIEISA-N 303.388 0.959 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)c2cscn2)cc1 2175674723 KMQCFWGFOYXPRG-NSHDSACASA-N 313.404 0.878 10 10 DCCE CN1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)O)C1=O 2295934230 KZRVLVXZBMDMJT-UHFFFAOYSA-N 304.258 0.242 10 10 DCCE O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)nc1 228402997 FYTGIBPKCNAKDM-UHFFFAOYSA-N 308.315 0.964 10 10 DCCE CN(CCC(=O)O)c1ccc2c(c1)CC(=O)N2CCC(N)=O 259474486 OATCHQPDTZFFET-UHFFFAOYSA-N 305.334 0.362 10 10 DCCE CC(=O)C(=O)COC(=O)CNC(=O)c1c(F)cccc1Cl 808515155 CFVUTMQBJACAPO-UHFFFAOYSA-N 315.684 0.910 10 10 DCCE C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 842035753 IINMONDHCNHCGI-WFASDCNBSA-N 318.421 0.483 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cc1 855224369 FSRQQZALBVNAFR-TUKIKUTGSA-N 317.389 0.902 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)cc1 855230148 NUFGQNFFMWXJOX-NSHDSACASA-N 303.362 0.656 10 10 DCCE CN1CCC[C@@](O)(CC(=O)NCCc2ccc(O)c(O)c2)C1 901121445 DSFAEWDFVSVTFN-MRXNPFEDSA-N 308.378 0.603 10 10 DCCE CCCC[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879106 VFIGKPFCSCTODV-LLVKDONJSA-N 318.337 0.618 10 10 DCCE C[C@](C[C@@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2156787118 PBFWXDUVKQWPAT-GXSJLCMTSA-N 303.388 0.488 10 10 DCCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CCC[C@@H](CO)C1 2157759351 GYTGWTTZNJWZDQ-SECBINFHSA-N 304.343 0.892 10 10 DCCE C[C@H](NCCNS(=O)(=O)C1CC1)c1cc(O)ccc1O 2158553074 FQBDPSKSQWCRDF-VIFPVBQESA-N 300.380 0.830 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC(F)(F)C[C@H]2CO)cc1 2159045902 FCNVPTRYPZUGDB-NSHDSACASA-N 306.334 0.801 10 10 DCCE C[C@@H](NC(=O)COc1ccc(N)cc1)[C@@H](C)S(C)(=O)=O 2170599888 IRETXSWOKMVLCY-NXEZZACHSA-N 300.380 0.585 10 10 DCCE O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1O 370506280 BCNRFGYLYUDTNS-GFCCVEGCSA-N 320.345 0.608 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CNCCO3)C2)cc1 852843675 DTHWIKMBVIWXTL-IUODEOHRSA-N 305.378 0.379 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(O)CCOC3)C2)cc1 855227581 YDNWATAQIRBODO-MLGOLLRUSA-N 306.362 0.542 10 10 DCCE CN1C[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CCC1=O 1117366457 VMCZUVAWBRAKCS-LBPRGKRZSA-N 319.361 0.088 10 10 DCCE O=C(C(=O)N1C[C@H]2C[C@]2(CO)C1)N1Cc2cccc(O)c2C1 1119018974 SMPUZNJNHDKJDX-BDJLRTHQSA-N 302.330 0.075 10 10 DCCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 1119063115 USZJMKSIIHTIJT-MGPQQGTHSA-N 305.378 0.979 10 10 DCCE CNC(=O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1567454609 ACPUITNJTRSEGJ-LLVKDONJSA-N 319.321 0.436 10 10 DCCE COC(=O)C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1587080102 CGYIYSWJWLHEEP-LLVKDONJSA-N 309.318 0.431 10 10 DCCE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 1594869661 BOJOVWWEISFFSC-QMMMGPOBSA-N 304.393 0.465 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCCCCN1CCC[C@@H]1CO 1631273784 LEZIMJDAWTVKOZ-CQSZACIVSA-N 322.405 0.993 10 10 DCCE COC1(c2cnnn2C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1643946437 CPGKTSWSSPKADY-UHFFFAOYSA-N 318.333 0.153 10 10 DCCE COc1ccc(CNCCC[C@@H](C)NC(=O)C(N)=O)cc1C 1725404804 YCIORGSAVUAUAR-GFCCVEGCSA-N 307.394 0.863 10 10 DCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)cc1Cl 2201035275 QHWHCPBOYIYANS-HZSPNIEDSA-N 300.786 0.352 10 10 DCCE C[C@@H](O)c1ccc(N2CC[C@@](O)(CO)[C@@H](O)C2)cc1Cl 2234092739 MSGUFWYEKVCTLP-BIGNPOOSSA-N 301.770 0.688 10 10 DCCE CCOCCCNC(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318150 KIGXLSSEOZRREF-UHFFFAOYSA-N 307.350 0.691 10 10 DCCE CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CCS1(=O)=O 276590277 MYBIJCFLKPGBIV-UHFFFAOYSA-N 317.338 0.886 10 10 DCCE C[C@@H](CO)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 285754505 QKEFBWBXQFNAJP-LBPRGKRZSA-N 319.405 0.524 10 10 DCCE CNC(=O)[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 817282796 KTUUCFCCNNEDFF-AWEZNQCLSA-N 318.421 0.437 10 10 DCCE NC(=O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 746281026 XEUQMAJLHKOKLA-UHFFFAOYSA-N 305.378 0.387 10 10 DCCE CO[C@@]1(CNC(=O)c2cc(O)cs2)CCS(=O)(=O)C1 928775259 CNTFSNQFUXBXRW-LLVKDONJSA-N 305.377 0.387 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(O)n3)C2)cc1 857302008 CTJGDSVMUSXPEY-VIFPVBQESA-N 303.322 0.528 10 10 DCCE Nc1ccc(NC(=O)C(=O)N2CCC3=C(CCC(=O)N3)C2)cc1 850829046 BEZZTGKESWJWEX-UHFFFAOYSA-N 314.345 0.604 10 10 DCCE CC1=C(C(=O)NCc2ccc(O)cc2O)Cn2nnnc2N1C 1142533995 VNJDVFZNMXPZOG-UHFFFAOYSA-N 316.321 0.125 10 10 DCCE C[C@H](NC(=O)N1C[C@@H](CO)[C@@H](O)C1)c1ccc(N(C)C)cc1 1312530744 GMSATEWCPQQTMY-WHOFXGATSA-N 307.394 0.808 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCOC1 1324960419 YODREJNGAPWIHM-GFCCVEGCSA-N 306.362 0.893 10 10 DCCE Nc1ccc(OCCC(=O)OCCCS(=O)(=O)O)cc1 690252881 HMFKWUUYTSNFCM-UHFFFAOYSA-N 303.336 0.859 10 10 DCCE C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 711677207 YTDLVIPBANKDBS-SKDRFNHKSA-N 318.420 0.121 10 10 DCCE CC(C)(C)OC(=O)N1CC(NCc2ccccc2O)(C(N)=O)C1 715563220 ZJEKQFQXVXZJGI-UHFFFAOYSA-N 321.377 0.957 10 10 DCCE COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CO)C3=O)C2)cc1 1340030009 PBYWTWCFJGRPHR-WCQYABFASA-N 305.334 0.187 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn2nnnc2c1 1638347736 KWEKPOKVVRRROJ-SECBINFHSA-N 313.317 0.897 10 10 DCCE CC(=O)c1cc(Cl)cc(CN2CC(S(N)(=O)=O)C2)c1O 1658956635 BXMXTINWQAPMML-UHFFFAOYSA-N 318.782 0.721 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1cc(Cl)ccc1O 2142467441 RQXVUVUYLOZOJN-ZYHUDNBSSA-N 305.783 0.947 10 10 DCCE C[S@](=O)(=NC(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCNC1 2188920076 RYQPXFXYTZCJQX-FFVOIRBGSA-N 300.336 0.403 10 10 DCCE CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@]2(COc2nnc(=N)[nH]n2)C1 2210646071 KURUWJJVWBRNMF-ZIAGYGMSSA-N 322.369 0.705 10 10 DCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CS(=O)(=O)C2)CC1 2099339920 WOSPMDKBQWQEOO-MRVPVSSYSA-N 308.385 0.278 10 10 DCCE CN1C(=O)C(=CNCCN2CCCCCC2)C(=O)NC1=S 2296923514 NKTPNERCRCXVRG-UHFFFAOYSA-N 310.423 0.209 10 10 DCCE Cc1cc(Cl)cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1O 180692200 VCUOGCHTUHISHG-GFCCVEGCSA-N 323.780 0.497 10 10 DCCE CCOc1ccc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1 789770143 RPJSTMSCNBBGTL-INIZCTEOSA-N 319.361 0.965 10 10 DCCE CCN1C[C@@H](S(=O)(=O)N[C@@H](C)c2ccccc2O)CC1=O 867836377 QGAWVWFCDKBBMS-QWRGUYRKSA-N 312.391 0.993 10 10 DCCE 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300.380 0.736 10 10 DCCE COc1cc(I)cc([C@H](N)CN)c1O 238364091 HVEGUDZRQLDXCC-SSDOTTSWSA-N 308.119 0.964 10 10 DCCE CN1C[C@H](NCc2c(O)cccc2Br)C(=O)N1 706804342 IQPZYIOHOUTSGT-VIFPVBQESA-N 300.156 0.590 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)cc1 819590123 ITXXLRYUKNCXLK-BXUZGUMPSA-N 319.361 0.746 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3[C@@H]4CNC[C@@H]43)C2)cc1 851668352 RPDQVWSAFYJMEB-DANNLKNASA-N 316.405 0.791 10 10 DCCE COc1ccc(N2CCN(C(=O)c3ncnn3C)CC2)cc1 853798807 IBCDWWFJOMIITP-UHFFFAOYSA-N 301.350 0.786 10 10 DCCE COc1ccc(CNC(=O)C2CN([C@@H]3CCOC3)C2)c(O)c1 897629776 SDCRHOYCVLHTML-CYBMUJFWSA-N 306.362 0.738 10 10 DCCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1cc(F)cc(F)c1O 927029076 YXMNDEOBPCGLAJ-APPZFPTMSA-N 309.334 0.727 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCc2nnnn2CC1 1643033936 MARGPSAJDVEAJW-SNVBAGLBSA-N 303.322 0.148 10 10 DCCE CC(=O)NCCCNC(=O)CCNCc1cc(C)ccc1O 1857862085 ZJKPRRRIBGHMCK-UHFFFAOYSA-N 307.394 0.823 10 10 DCCE Nc1ccc(N2C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C2=O)c(Cl)c1 1924765610 DWPLHAUHLGZPNZ-HTQZYQBOSA-N 314.750 0.456 10 10 DCCE O=C(C=Cc1ccc(O)c(O)c1)NCCCN1CCOCC1 2307978602 MQVVFIMRULLZDV-UHFFFAOYSA-N 306.362 0.950 10 10 DCCE CCOc1ccc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)c1 93531409 YHERTQZBVOBDJJ-GFCCVEGCSA-N 314.407 0.914 10 10 DCCE O=S1(=O)CCNC[C@H]1CCNCc1cc(Cl)ccc1O 903969144 VLACMPAKFYAXSB-GFCCVEGCSA-N 318.826 0.912 10 10 DCCE COc1cccc(CNC(=O)[C@H]2CCN(C)S2(=O)=O)c1O 843832476 NPBBXUACYBRZCT-LLVKDONJSA-N 314.363 0.051 10 10 DCCE CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(N)=O 854297134 KMVUMPCETMUOQB-SMDDNHRTSA-N 320.393 0.837 10 10 DCCE C[C@@H](NC[C@]12COCCN1C(=O)COC2)c1cc(F)ccc1O 866551684 BYAYXLCDPNMXEM-BDJLRTHQSA-N 324.352 0.810 10 10 DCCE COCC(=O)N(C)C[C@H](O)CNCc1ccc(OC)c(C)c1 1284370564 FUQOXFJFKUMOIV-CQSZACIVSA-N 310.394 0.559 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H](O)C(C)C)cc1C 1482725109 RVUCCQUCPHYQQQ-GOEBONIOSA-N 324.421 0.587 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CN1CCOCC1 1587147230 RWLFOBHFEFGOHM-CQSZACIVSA-N 320.389 0.964 10 10 DCCE CS(=O)(=O)c1c(F)cc(CN2CCNCC2)c(O)c1F 258711854 JOJACSHZUABLHN-UHFFFAOYSA-N 306.334 0.479 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)N1CCC[C@@H]1CO 2161898704 DONMKIUKFNOSKU-GFCCVEGCSA-N 300.380 0.526 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCCN3CC=CCC3)c2n1 2062980739 NCXFTHDRIFUDQE-UHFFFAOYSA-N 301.350 0.735 10 10 DCCE CCN[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 2191633718 HQUKUUDTQXYGQR-LLVKDONJSA-N 301.412 0.565 10 10 DCCE Cc1nn(C)c(Br)c1[C@H](NCCN=[N+]=[N-])C(N)=O 2076818968 ZZEOPGSYSVZBKY-ZETCQYMHSA-N 316.163 0.917 10 10 DCCE CCCCN1C(=O)NC(=O)C(=CN[C@H]2CCCC[C@@H]2N)C1=O 2296116004 PSLCQCXZUWLANP-RYUDHWBXSA-N 308.382 0.608 10 10 DCCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCS(=O)(=O)c2ccccc21 147705844 LTHHKVYUXIMSJM-GFCCVEGCSA-N 309.351 0.445 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CC[C@H](NC(N)=O)C2)cc1F 270826307 ZHZHXYLHWRHDED-NSHDSACASA-N 323.372 0.844 10 10 DCCE CN(C)C(=O)c1cn(C2CN(Cc3cccc(F)c3O)C2)nn1 581810564 AHPHKBDBTGBCAK-UHFFFAOYSA-N 319.340 0.882 10 10 DCCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CNC1 842234384 FOESDRCUFAZSMG-UHFFFAOYSA-N 304.394 0.189 10 10 DCCE COCCS(=O)(=O)CC(=O)NCc1c(O)cccc1F 928712704 WUDVINHEPVPKKB-UHFFFAOYSA-N 305.327 0.209 10 10 DCCE COC[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852448648 LHDAUJZNNZBMNA-STQMWFEESA-N 323.393 0.580 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1329409017 GHIBUVQSJKZIPD-PHIMTYICSA-N 304.346 0.870 10 10 DCCE CC(C)[C@@H](CO)NS(=O)(=O)CCOc1ccc(N)cc1 92391284 QTMNMLDDQXJPLV-CYBMUJFWSA-N 302.396 0.584 10 10 DCCE C[C@@]12CN(C(=O)c3cccc(O)c3O)C[C@]1(C)C(=O)NC2=O 1454635140 KHXJTUDRKUNLNY-GASCZTMLSA-N 304.302 0.223 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1629454175 OQXCZEZFKBSZDQ-JTQLQIEISA-N 310.335 0.766 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 1908637832 RVOBBZMMQHJDJV-UWVGGRQHSA-N 301.184 0.840 10 10 DCCE O=C(NC[C@@]12COCCN1C(=O)OC2)c1cccc(O)c1O 1587636375 OSPLKJWBWCZQBZ-AWEZNQCLSA-N 308.290 0.049 10 10 DCCE NS(=O)(=O)CCCNC(=O)NCc1cc(Cl)ccc1O 1682340863 PHBGJXDFIQNORP-UHFFFAOYSA-N 321.786 0.523 10 10 DCCE CCN(C(=O)CN(C)CCN=[N+]=[N-])[C@H]1CCS(=O)(=O)C1 1912186330 CJLDPJIPLNRCFG-JTQLQIEISA-N 303.388 0.264 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC(F)(F)CO)cc1 228512666 HIVHEGTWTGYINT-UHFFFAOYSA-N 310.322 0.195 10 10 DCCE COc1cc(Cl)cc(CNCCCS(N)(=O)=O)c1O 229051566 ZGVLFKNENKPMKC-UHFFFAOYSA-N 308.787 0.822 10 10 DCCE O=S1(=O)C[C@H](c2ccc(C(F)(F)F)cc2O)NCCN1 1952463154 KPYUODKCQDVVMK-SECBINFHSA-N 310.297 0.975 10 10 DCCE COC(C)(C)CNS(=O)(=O)CCOc1ccc(N)cc1 159891603 KDKXDQFGBRZTLG-UHFFFAOYSA-N 302.396 0.992 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)c(Br)c1 316448319 RWVOARYXAWKPKT-MFKMUULPSA-N 315.211 0.958 10 10 DCCE CS(=O)(=O)C1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 716059215 INOMPCYAEBJMLB-UHFFFAOYSA-N 318.420 0.264 10 10 DCCE CNC(C)(C)CNS(=O)(=O)CCOc1ccc(N)cc1 2191638462 UAYVXIDOAXYDAM-UHFFFAOYSA-N 301.412 0.565 10 10 DCCE CN(CCNS(=O)(=O)CCOc1ccc(N)cc1)C1CC1 70490866 PMRFOJXWCXTTFX-UHFFFAOYSA-N 313.423 0.661 10 10 DCCE COc1cc(I)cc([C@@H](N)CO)c1O 72199832 PGDGCNSQNGTBAL-ZETCQYMHSA-N 309.103 0.998 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)cc1 143382511 BWUWBYOLXCXGHP-GFCCVEGCSA-N 305.378 0.868 10 10 DCCE C[C@H](C(=O)N1CCN(c2ccc(N)cc2)CC1)S(C)(=O)=O 167826134 QOIHDLKLJMEWMD-LLVKDONJSA-N 311.407 0.351 10 10 DCCE CCN(CC)c1ccc(CNC(=O)C(=O)NCCCN)cc1F 842209074 HMNNULOCWAVNSB-UHFFFAOYSA-N 324.400 0.753 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 855452975 UNFOQGJVIHNJKA-DFLQDCCYSA-N 307.302 0.558 10 10 DCCE CC(=O)c1cc(F)cc(CN2CCO[C@@H](CC(N)=O)C2)c1O 860016259 HYDXQQQGXUDCRZ-LBPRGKRZSA-N 310.325 0.810 10 10 DCCE COc1ccc(O)c(CNCC[C@@H]2CNCCS2(=O)=O)c1 903969482 YXZSCYKDIWMHHI-CYBMUJFWSA-N 314.407 0.267 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN([C@H]2CCOC2)C1 907272742 ITZPQIDKGMFGNA-RISCZKNCSA-N 320.389 0.866 10 10 DCCE Nc1ncn(CC(=O)NCc2c(O)ccc3c2CCCC3)n1 1150376959 CUQKBBPDIGBXNM-UHFFFAOYSA-N 301.350 0.761 10 10 DCCE CCN(C(=O)C(=O)NCCc1ccc(N)cc1)[C@@H]1CCCOC1 1326876028 WXHYVQUCLFMODT-OAHLLOKOSA-N 319.405 0.955 10 10 DCCE C[C@]12COC[C@@H]1CN(C(=O)C(=O)NCCc1ccc(N)cc1)C2 1327487366 UNSMXWSPJSLHSJ-GUYCJALGSA-N 317.389 0.422 10 10 DCCE CC(=O)C(=O)C1(O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 1960682647 SLBAYOMKOZLZLH-HUUCEWRRSA-N 303.358 0.654 10 10 DCCE CS(=O)(=O)C[C@H]1CN(Cc2ccc(F)cc2O)CCO1 1964602285 HUIQLRIXWYPLPA-GFCCVEGCSA-N 303.355 0.777 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCN(C)C3=O)c2n1 2065178142 VTKCTMMGVXTLNT-SNVBAGLBSA-N 303.322 0.046 10 10 DCCE O=C(O)C1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C1 2108035884 CFFSLLQBJPYOKX-UHFFFAOYSA-N 306.727 0.719 10 10 DCCE CN1C(C)(C)[C@H](NCc2cccc(O)c2O)CS1(=O)=O 2151102541 RZCCFHMKIPJNNG-LLVKDONJSA-N 300.380 0.610 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2COCCO2)cc1 2152025997 OIZORJPCWVZQNO-CYBMUJFWSA-N 300.380 0.494 10 10 DCCE Nc1ccc(Cn2nc(-c3ccccc3N)c(=O)[nH]c2=O)cc1 82720963 MLEFOXMNTWCNKM-UHFFFAOYSA-N 309.329 0.811 10 10 DCCE CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCOC1 268770171 YCGQIPWAXCNRTD-JTQLQIEISA-N 314.363 0.625 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 761972062 GSOUBANRPDKQKP-MRVPVSSYSA-N 321.293 0.778 10 10 DCCE CS(=O)(=O)N1CC[C@@H](COC(=O)c2cccc(O)c2O)C1 801311500 OQTLVMHNYFVJBL-SECBINFHSA-N 315.347 0.536 10 10 DCCE CN(C)c1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1F 839169127 FYWMQFGNULWLJJ-UHFFFAOYSA-N 308.357 0.021 10 10 DCCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927033280 OOWJEPBPXDJNFU-FZMZJTMJSA-N 300.424 0.809 10 10 DCCE CO[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C[C@@H]1C 1261636362 HIBSAAPLWUZGCD-CABZTGNLSA-N 320.349 0.990 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccccc1O 1445969659 JFOLPJYPYFIWJH-LBPRGKRZSA-N 300.380 0.582 10 10 DCCE CC[C@H](CNS(C)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 1468173359 NURIOSAEBDTNJO-SNVBAGLBSA-N 316.379 0.084 10 10 DCCE NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2c(O)cccc2O)O1 1645362771 CBCGDYKDHYYQQD-RNCFNFMXSA-N 308.334 0.527 10 10 DCCE COCC[S@](C)(=O)=NC[C@@H](O)COc1ccc(N)cc1 1918079343 LONQCZFWIXZXFD-ODXCJYRJSA-N 302.396 0.753 10 10 DCCE COc1cc(Br)cc([C@@H](N)[C@H](O)C(=O)O)c1O 1952510802 UQAYQXBIDZWYNZ-APPZFPTMSA-N 306.112 0.609 10 10 DCCE CN(C1COCCOC1)S(=O)(=O)Cc1ccc(N)cc1 2188061153 LIEZKMCVNMCLTB-UHFFFAOYSA-N 300.380 0.446 10 10 DCCE C[C@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)CCS1(=O)=O 2188577487 NYABJIBTAYRWBK-VIFPVBQESA-N 300.336 0.710 10 10 DCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(Cl)cc1O 2201084723 BRUZQANUVHVRBD-USWWRNFRSA-N 301.726 0.426 10 10 DCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc([C@H](C)O)cc1Cl 2233865065 FUCRGYAMBQJAGH-ISTUKMMPSA-N 301.770 0.950 10 10 DCCE Cc1ccc(CNC(=O)[C@@H](N)[C@H](C)O)c(O)c1Br 2327593475 CONJABBTYVJTKC-XVKPBYJWSA-N 317.183 0.787 10 10 DCCE CN(C)c1ccc2c(c1)[C@@H](CN)N([C@@H]1CCS(=O)(=O)C1)C2 71683314 CBAYCAOUSYQQLZ-UKRRQHHQSA-N 309.435 0.755 10 10 DCCE COc1cc(I)cc([C@@H](N)CN)c1O 238364005 HVEGUDZRQLDXCC-ZETCQYMHSA-N 308.119 0.964 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCCOC(F)F)cc1 398259876 SKHXYUZVJZJQLI-UHFFFAOYSA-N 310.322 0.806 10 10 DCCE COc1cc(C)cc(CNC[C@@]2(OCCO)CCOC2)c1O 895251501 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COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(OC)cc2O)C[C@H]1C 867955499 BJVDADBHGRQVRG-OWYVNGRQSA-N 323.345 0.984 10 10 DCCE CS[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 2142565122 RBOYQFXLCSZSLA-RYUDHWBXSA-N 302.421 0.819 10 10 DCCE CN(CCS(=O)(=O)CCC(=O)O)Cc1ccccc1O 2192594753 VIVQGXQVPVOWCM-UHFFFAOYSA-N 301.364 0.714 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1ccc(F)c(F)c1O 2207461094 NKLWFKGUPKBUQX-UWVGGRQHSA-N 307.318 0.572 10 10 DCCE CC(C)(CS(=O)(=O)NCCc1ccc(N)cc1)C(=O)O 2290032634 HLXHDZAWUPIPRS-UHFFFAOYSA-N 300.380 0.842 10 10 DCCE CC(=O)C(=O)COC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 808500225 VUCMKVRZVZHMJT-JTQLQIEISA-N 305.286 0.502 10 10 DCCE C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)S(N)(=O)=O 768071272 QLZRFXUTHTYMDM-JTQLQIEISA-N 314.411 0.229 10 10 DCCE O=C1COC[C@]2(CN[C@@H]3CCc4cccc(O)c43)COCCN12 866552889 CTGVFCRNZLYNRW-DYVFJYSZSA-N 318.373 0.597 10 10 DCCE Cn1nccc1C1(O)CCN(C(=O)c2cccc(O)c2O)CC1 1123983428 OGHXKBANZROITL-UHFFFAOYSA-N 317.345 0.955 10 10 DCCE Cc1cn2nnc(C(=O)NCc3c(O)cccc3O)c2c(O)n1 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DCCE CO[C@@H](CS(=O)(=O)NCc1ccccc1O)[C@@H]1CCOC1 849376332 BMWXABFLKIXSJP-OCCSQVGLSA-N 315.391 0.863 10 10 DCCE COC(=O)[C@]1(OC)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 863298574 ZVCYJFMDCRYZOJ-CJNGLKHVSA-N 323.345 0.582 10 10 DCCE C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1Cc2cccc(O)c2C1 871204476 LBWJHOYSMYUZAY-XPTSAGLGSA-N 304.346 0.510 10 10 DCCE O=S1(=O)CCNC[C@@H]1CCNCc1cccc(F)c1O 903967589 CRHAJEMCNLZWRH-NSHDSACASA-N 302.371 0.398 10 10 DCCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)C[C@@H](O)C1 1445391166 MEUHSJROKMONSP-DTORHVGOSA-N 309.343 0.880 10 10 DCCE COC(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1544992450 WZJIXUCWJNMEOP-UHFFFAOYSA-N 308.334 0.941 10 10 DCCE Cn1nc(O)c2c1CN(C(=O)Cc1ccc(O)c(O)c1)CC2 1557775254 VAIJQZZHTRJJDO-UHFFFAOYSA-N 303.318 0.664 10 10 DCCE O=C(c1cccc(O)c1O)N1CCC2(CC1)C[C@H](O)CNC2=O 1643236218 CUZJHVVTVQXCSV-JTQLQIEISA-N 320.345 0.201 10 10 DCCE CC(=O)C(=O)[C@]1(O)[C@@H](NC(=O)OC(C)(C)C)COC1(C)C 1901295376 LYWZSUKVDJZMQU-LKFCYVNXSA-N 301.339 0.578 10 10 DCCE O=S1(=O)CCC[C@@H](CNCc2ccc(O)c(O)c2O)C1 2146111060 RIDHZBYUSZGTQX-VIFPVBQESA-N 301.364 0.718 10 10 DCCE CC(C)NCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)s1 2155334344 LGXMGJNBKOPRJQ-UHFFFAOYSA-N 313.408 0.574 10 10 DCCE COc1ccc(CN[C@H]2COC[C@@H]2S(C)(=O)=O)c(O)c1 2207465108 KRVLVMLBVWFEOI-AAEUAGOBSA-N 301.364 0.302 10 10 DCCE C[C@@H](NC(=O)c1nnn(C)n1)c1ccc(N2CCOCC2)cc1 878437135 KPAYKSNHMKZCCT-LLVKDONJSA-N 316.365 0.538 10 10 DCCE Cn1nnnc1SCCC(=O)N1Cc2cccc(O)c2C1 871200509 DLASXTAFIPGBTC-UHFFFAOYSA-N 305.363 0.940 10 10 DCCE CN(C)c1noc(CNC(=O)NCc2c(O)cccc2F)n1 1228202517 LVKRRVOKZFXHMP-UHFFFAOYSA-N 309.301 0.980 10 10 DCCE C[C@@H]([C@@H](C)N(C)C(=O)Cc1ccc(O)c(O)c1)S(C)(=O)=O 1543416551 NJQHSHYPDMSCEC-ZJUUUORDSA-N 315.391 0.920 10 10 DCCE NC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccn1 1624831624 KNFIOOYKYHZNOO-PKYBCLHXSA-N 313.313 0.849 10 10 DCCE CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1912185156 MJVRCQIIOYVHCG-SNVBAGLBSA-N 301.372 0.712 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CC(CO)C3)c(Br)cc21 2031673271 XBPWQHIGKWRVSG-NSHDSACASA-N 312.167 0.830 10 10 DCCE C[C@H](NCCNS(=O)(=O)C1CC1)c1ccc(O)cc1O 2158553065 FKXVYANHQOZVKH-VIFPVBQESA-N 300.380 0.830 10 10 DCCE COc1ccc(Br)c(CN[C@@H](CO)[C@H](C)O)c1O 2220462450 LPRMRYQKEQOQCC-XVKPBYJWSA-N 320.183 0.995 10 10 DCCE N=c1[nH]nc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 2236167206 FNBQNRAEZSYRNS-UHFFFAOYSA-N 317.308 0.365 10 10 DCCE COc1cccc(CNC(=O)c2cccnc2C(N)=O)c1O 787447435 YYVIEJKCGKFWEC-UHFFFAOYSA-N 301.302 0.825 10 10 DCCE CN1CCN(c2ccc(CN[C@@]3(C(=O)O)CCOC3)cc2)CC1 789901572 AIEKBZCTNFIGDY-KRWDZBQOSA-N 319.405 0.772 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 808532209 OGCFYEAXNOKFIN-UHFFFAOYSA-N 316.317 0.902 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)n3)C2)cc1 855224843 LLZLWPWPMXLYKX-LLVKDONJSA-N 301.350 0.832 10 10 DCCE CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@H]21 868309828 MYLVTDPLIJDABO-SMDDNHRTSA-N 302.378 0.760 10 10 DCCE CC(C)NC(=O)CN(C)CC(=O)NCc1c(O)cccc1F 928711195 GXHWUXMHNYGIRN-UHFFFAOYSA-N 311.357 0.604 10 10 DCCE C[C@@H](O)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275046453 TYNHGCVFXCHUSJ-NXEZZACHSA-N 307.354 0.938 10 10 DCCE CC[C@@H](CNC(C)=O)NCc1nnnn1-c1ccc(OC)cc1 1698591187 SHVXCJZBKACJFN-LBPRGKRZSA-N 318.381 0.675 10 10 DCCE COc1ccc(CNC2(CNC(=O)C(N)=O)CCC2)cc1C 1700135780 FJTJHGQZSCCPMU-UHFFFAOYSA-N 305.378 0.617 10 10 DCCE NC(=O)CCc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)nc1 1865876423 JZSNPYDZVRZAQY-UHFFFAOYSA-N 317.301 0.869 10 10 DCCE CN(CCCN=[N+]=[N-])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1912157611 SABWIOVVXRONAC-SNVBAGLBSA-N 303.388 0.264 10 10 DCCE COC[C@H](NCc1cccc(Br)c1O)C(N)=O 1947025246 RNVOGBIPUXFAGY-VIFPVBQESA-N 303.156 0.745 10 10 DCCE CCCN(CCS(C)(=O)=O)C(=O)c1cccc(O)c1O 2170164864 TYBFPTZILREUGW-UHFFFAOYSA-N 301.364 0.995 10 10 DCCE C[C@@H](c1ccccc1O)N(C)CCS(=O)(=O)CC(=O)O 2192598004 LGZUOTDPBFZGEY-JTQLQIEISA-N 301.364 0.884 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H](O)C(F)(F)F 2197316270 KOOOWBZBJYAYAN-OIBJUYFYSA-N 312.313 1.000 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H](C)[C@@H](O)C(=O)O)s1 2269097254 BSHVSWKBELIPGJ-CAHLUQPWSA-N 305.381 0.498 10 10 DCCE COc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1[N+](=O)[O-] 59861368 FIQPCFGPTCBSMY-VMPITWQZSA-N 305.246 0.695 10 10 DCCE C[C@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)C[C@H](C)O1 63129941 GVZQMNLUWJYBLC-RYUDHWBXSA-N 313.423 0.755 10 10 DCCE O=S1(=O)CC[C@H](Oc2ccc(N3CCNCC3)c(F)c2)C1 87439315 BCMBTFVNUTYYII-LBPRGKRZSA-N 314.382 0.801 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3COC[C@@H](C2)O3)cc1 801589283 NFAHFXYIDFVYET-IYBDPMFKSA-N 319.405 0.468 10 10 DCCE C[C@@](F)(CN)CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2164491416 GTVOZHOMMLCFLX-SNVBAGLBSA-N 307.303 0.729 10 10 DCCE CC[C@]1(O)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118945784 IFFFOBMVTMPFKU-INIZCTEOSA-N 304.346 0.608 10 10 DCCE CNS(=O)(=O)c1cc(C(=O)NCCCN=[N+]=[N-])n(C)c1 706368703 BPJBDBSZQJVBKC-UHFFFAOYSA-N 300.344 0.363 10 10 DCCE CC(C)C(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1628245076 FASOVNZCLBBUML-UHFFFAOYSA-N 306.362 0.967 10 10 DCCE COc1cccc(CNCCNS(=O)(=O)C2CC2)c1O 1964609611 HQKQKZZIORPEFD-UHFFFAOYSA-N 300.380 0.572 10 10 DCCE C[C@@H](CC[S@](C)=O)NS(=O)(=O)Cc1ccc(N)cc1 127759671 KCHXVTHJNDZGSN-XTZNXHDOSA-N 304.437 0.845 10 10 DCCE CN1C[C@H](CN)C[C@H]1c1ccc(S(C)(=O)=O)c(F)c1O 258547448 ARTPSALMJCGTDE-WPRPVWTQSA-N 302.371 0.886 10 10 DCCE CN([C@@H]1CCN(Cc2c(O)cccc2F)C1)S(C)(=O)=O 2160782392 OQRNZFMAOFEVGZ-SNVBAGLBSA-N 302.371 0.997 10 10 DCCE O=S1(=O)CCCN1CCNCc1ccc(F)c(F)c1O 703254587 BJINKTCXXHKRSE-UHFFFAOYSA-N 306.334 0.796 10 10 DCCE COCCS(=O)(=O)CCNCc1ccc(F)c(F)c1O 2204672067 XXCARAJQPKVWBU-UHFFFAOYSA-N 309.334 0.821 10 10 DCCE CC(=O)CCC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839077 WYXDJEWCHCTSRY-UHFFFAOYSA-N 310.306 0.019 10 10 DCCE Nc1ccc(OC[C@@H](O)CS(=O)(=O)[C@@H]2CCOC2)cc1 722439538 LPZLVXJCNOXTEE-DGCLKSJQSA-N 301.364 0.212 10 10 DCCE CCOc1ccc(O)c(CN2CCn3nnc(CO)c3C2)c1 894803813 SLYZFUAHOADIFY-UHFFFAOYSA-N 304.350 0.891 10 10 DCCE COC(=O)[C@@H](O)C1CCN(C(=O)c2cccc(O)c2O)CC1 1596953319 FXZMXVUMYHHHMR-LBPRGKRZSA-N 309.318 0.484 10 10 DCCE CS(=O)(=O)c1sccc1[C@H](NCCCN=[N+]=[N-])C(N)=O 1912146295 AOQFIJBQXKTBTK-QMMMGPOBSA-N 317.396 0.968 10 10 DCCE C[C@]1(NC(=O)CN2CC[C@@H](N=[N+]=[N-])C2)CCS(=O)(=O)C1 1912183893 AYWQFTIVYFXSMG-KOLCDFICSA-N 301.372 0.064 10 10 DCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@H](S(C)(=O)=O)C1 2160815327 CLZMOLSJIRONTE-GXSJLCMTSA-N 304.372 0.785 10 10 DCCE CS(=O)(=O)Cc1noc(CN2CCC[C@H](N=[N+]=[N-])C2)n1 2169817711 BFYRVTROXKFGSR-QMMMGPOBSA-N 300.344 0.889 10 10 DCCE C[C@@H](NS(=O)(=O)N1CCC[C@H]1CO)c1ccccc1O 2192627959 WHIIAVCEMQUNGK-MNOVXSKESA-N 300.380 0.744 10 10 DCCE CSc1ncc(CNS(=O)(=O)N2CCNCC2)s1 2257133078 FUWILJRAQYJAGH-UHFFFAOYSA-N 308.454 0.105 10 10 DCCE Nc1ccc(CCNS(=O)(=O)C2CC3(C2)OCCO3)cc1 2263526102 GHFNEQWYTODHIJ-UHFFFAOYSA-N 312.391 0.636 10 10 DCCE CS(=O)(=O)N[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 172022595 CYQSQZYBEPECGD-JTQLQIEISA-N 315.351 0.424 10 10 DCCE COCCOCCNS(=O)(=O)CCOc1ccc(N)cc1 70490803 WVPXQUWHGPESKB-UHFFFAOYSA-N 318.395 0.230 10 10 DCCE CCNC(=O)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490647 MLBTYKAKDIPPFW-JTQLQIEISA-N 315.395 0.092 10 10 DCCE COC[C@@H](O)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 81100662 IESAWQXQXKWKEK-HNNXBMFYSA-N 309.410 0.308 10 10 DCCE O=C1NCC[C@@H]1C(=O)NCc1cc(Br)ccc1O 854442308 NITLHXZIAUFNAG-VIFPVBQESA-N 313.151 0.907 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CC(CN2CCOCC2)C1 857266211 PNVYZSYKRCGNKD-UHFFFAOYSA-N 310.325 0.641 10 10 DCCE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(N)cc1 868296026 JANRAVGHQMIGJN-KQURDKLPSA-N 303.362 0.968 10 10 DCCE COC(=O)c1ccn(CC(=O)N2Cc3cccc(O)c3C2)n1 881429259 WREIFMDJRSAILP-UHFFFAOYSA-N 301.302 0.918 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1C(N)=O 787510173 DSLFLGJSHBGWIO-VIFPVBQESA-N 315.329 0.953 10 10 DCCE CN(C)c1ccc(/C=C\CN2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1 895314284 KWILDSPLTQMFJW-JQBDECOXSA-N 316.405 0.284 10 10 DCCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc(O)n1C 1300074939 UMQJLUOGBYVWKS-JQTRYQTASA-N 304.306 0.823 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 1292514456 HHRXONQWHFLBAE-KBPBESRZSA-N 320.389 0.698 10 10 DCCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)Cc1ccc(O)c(O)c1 1543416549 NJQHSHYPDMSCEC-UWVGGRQHSA-N 315.391 0.920 10 10 DCCE O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccc(O)cc1O 1638356557 KXDWQCCHWSCNSZ-UHFFFAOYSA-N 318.333 0.109 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)NC(N)=O 1640260039 OIULSLCLYSZNRX-VIFPVBQESA-N 300.355 0.941 10 10 DCCE O=C(NCc1ccc(O)cc1O)c1cccn2c(O)nnc12 1570462551 YGZJODOCZPEPFR-UHFFFAOYSA-N 300.274 0.776 10 10 DCCE Cc1cccc(CNS(=O)(=O)c2n[nH]c(=N)s2)c1O 2139763734 JGZQULIWBOGCSF-UHFFFAOYSA-N 300.365 0.443 10 10 DCCE CNCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(Br)c1 316448318 RWVOARYXAWKPKT-GXFFZTMASA-N 315.211 0.958 10 10 DCCE CN(CC1COC1)S(=O)(=O)CCOc1ccc(N)cc1 2285343320 GNPKMPUMQOVYLS-UHFFFAOYSA-N 300.380 0.556 10 10 DCCE CN1C(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)NC1=S 2297365297 SCESYZFIYUJLAB-UHFFFAOYSA-N 319.342 0.262 10 10 DCCE CC(=O)C(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 808497423 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[N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2CO)C1 2161841370 TVJZQKIEAFFOAQ-MNOVXSKESA-N 303.388 0.710 10 10 DCCE Cc1cccc(CNC(=O)[C@@H](N)CCS(C)(=O)=O)c1O 2204608097 BNTNFDOHSPIVNU-NSHDSACASA-N 300.380 0.079 10 10 DCCE CS[C@H](C)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O 2207086617 JQQWJGDGWCQQPK-ANLVUFKYSA-N 301.320 0.738 10 10 DCCE Nc1cc(O)ccc1NS(=O)(=O)C1CCS(=O)(=O)CC1 236348714 HYGZNFZIWXENQU-UHFFFAOYSA-N 320.392 0.293 10 10 DCCE C[C@@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(F)c1 703140095 XJOJZFJKSZWZEL-KOLCDFICSA-N 301.387 0.973 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)[C@@H]1CCCNC1 722223170 FHEQVEODGNFFRP-SECBINFHSA-N 301.324 0.794 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@@H](O)Cc2cnn(C)c2)c1 787131317 MQVUALDPVYQBIO-AWEZNQCLSA-N 305.334 0.354 10 10 DCCE NC[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 848597563 PTJORLAPYDJMLW-SNVBAGLBSA-N 307.272 0.829 10 10 DCCE C[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1cc(F)ccc1O 866551686 BYAYXLCDPNMXEM-BZNIZROVSA-N 324.352 0.810 10 10 DCCE Nc1ccc(CC(=O)NC[C@@]23COCCN2C(=O)OC3)cc1 872288763 QDAKUVJJOXAXQR-HNNXBMFYSA-N 305.334 0.149 10 10 DCCE COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C(N)=O)c1O 895368364 PNGCZBMQHMJJGM-ZJUUUORDSA-N 300.742 0.475 10 10 DCCE C[C@H]1[C@@H](C)N(C(=O)Cc2ccc(O)c(O)c2)CCS1(=O)=O 1293731379 UNZSLJCHJDGWFJ-ZJUUUORDSA-N 313.375 0.674 10 10 DCCE O=C(NCc1nc(O)c2c(n1)CCOC2)c1cc(O)cs1 1471391693 DJDRBAANSRIIEF-UHFFFAOYSA-N 307.331 0.952 10 10 DCCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1 1542430150 HMIKVSORMDLUTQ-ZDUSSCGKSA-N 312.341 0.822 10 10 DCCE Cc1nn(C)c2c1N(C(=O)c1ccoc1CC(N)=O)CCO2 1545690872 GFXYQVHJLFGRKM-UHFFFAOYSA-N 304.306 0.389 10 10 DCCE O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1ccc(O)cc1O 1630301877 LBWQAFQMUBRAEQ-SNVBAGLBSA-N 313.375 0.929 10 10 DCCE COc1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)c(O)c1 93530646 LIGWWLMZOASBNU-UHFFFAOYSA-N 316.361 0.983 10 10 DCCE COc1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c(O)cc1C 160211180 BQBYTRGIKZMWIC-GFCCVEGCSA-N 314.407 0.833 10 10 DCCE COc1ccc(O)c(CNC(=O)Cn2nnnc2C(C)C)c1 175356172 AVLHRRYHGQSTTH-UHFFFAOYSA-N 305.338 0.827 10 10 DCCE CN(Cc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCS(=O)(=O)C1 175491890 NBIBOJGCLLFUQK-LLVKDONJSA-N 300.336 0.919 10 10 DCCE C[C@H](CCNS(=O)(=O)Cc1ccc(N)cc1)[S@](C)=O 229778755 CWOCUSSNTBRRJG-MGNBDDOMSA-N 304.437 0.845 10 10 DCCE CC(=O)C(=O)COC(=O)Cn1cccc(C(F)(F)F)c1=O 808494442 ZFIIBEPARRGDQH-UHFFFAOYSA-N 305.208 0.568 10 10 DCCE Cc1cc(N(C)C)ccc1CNC[C@H](O)CN1CCOCC1 819078794 ZNUMYYZFLIIJNE-KRWDZBQOSA-N 307.438 0.844 10 10 DCCE NC(=O)CN1CCN(Cc2c(O)ccc(Cl)c2F)CC1=O 839169742 ISGBRZFPGWLNIC-UHFFFAOYSA-N 315.732 0.314 10 10 DCCE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(N)cc1 868296027 JANRAVGHQMIGJN-VKKKGTNTSA-N 303.362 0.968 10 10 DCCE O=C(NCc1cn(C2CC2)c(=O)nc1O)c1cccc(O)c1O 1176142918 SKSAVGCULZIKEH-UHFFFAOYSA-N 317.301 0.625 10 10 DCCE CS(=O)(=O)C[C@@H]1CN(Cc2ccc(F)cc2O)CCO1 1964602286 HUIQLRIXWYPLPA-LBPRGKRZSA-N 303.355 0.777 10 10 DCCE NCc1ccc(N2CC[C@H](O)[C@@H](O)C2)c(F)c1Br 2068376038 GAAHCWJVQBKNER-UWVGGRQHSA-N 319.174 0.979 10 10 DCCE C[C@@H]1CN(c2ccc(CO)c([N+](=O)[O-])c2)CCS1(=O)=O 2188577486 NYABJIBTAYRWBK-SECBINFHSA-N 300.336 0.710 10 10 DCCE NCCCCCNS(=O)(=O)CCOc1ccc(N)cc1 2191644134 SSWHGAPPDCMOMP-UHFFFAOYSA-N 301.412 0.696 10 10 DCCE Oc1ccc(Br)cc1CN[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O 2309043005 SYJMZZKWRDPSJY-GMNPVEAJSA-N 318.167 0.099 10 10 DCCE CN1CCO[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 104766174 DHPWDOYYQNZWAQ-HNNXBMFYSA-N 306.410 0.882 10 10 DCCE Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 861530148 UKWODKYHWNGCGN-MEDUHNTESA-N 303.362 0.828 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(OCc2nc(C)no2)nc1 860352671 OLJTWUNVVWAZAX-UHFFFAOYSA-N 319.273 0.667 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](N)C(F)(F)C2)cc1 2191769045 MDHGUVMBAHMNNA-NSHDSACASA-N 305.350 0.767 10 10 DCCE O=C(C(=O)N1CCOC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 1329381487 YLIVUJVCXXDZNV-CQSZACIVSA-N 316.357 0.872 10 10 DCCE C[C@H](O)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 1467369133 HYUZLALFPNSAGQ-NEPJUHHUSA-N 308.378 0.554 10 10 DCCE O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccc2cccnc2c1O 1557122350 HIIJGRRCSHZMMQ-JTQLQIEISA-N 314.301 0.155 10 10 DCCE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc(O)c(O)c1 1567662656 LZHCWHXWPIDKRX-GFCCVEGCSA-N 322.405 0.944 10 10 DCCE C[C@H](C(=O)NCc1ccc(O)cc1O)[C@@H](C)S(C)(=O)=O 1630302117 RKUVVOFVFXXIMV-DTWKUNHWSA-N 301.364 0.783 10 10 DCCE CSCc1n[nH]c(CNC(=O)Cc2ccc(O)c(O)c2)n1 1644877618 PHGJLFYWENYBRR-UHFFFAOYSA-N 308.363 0.938 10 10 DCCE Nc1ccc(CS(=O)(=O)N(CCCO)CCCO)cc1 1922180359 KUBXTDGUSATYFY-UHFFFAOYSA-N 302.396 0.165 10 10 DCCE CCS(=O)(=O)N(C)CCNCc1ccc(OC)cc1O 1926346660 XPOSTZHFMVLWJB-UHFFFAOYSA-N 302.396 0.772 10 10 DCCE CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cccc(O)c1O 126467792 GPQVTDRUYCKKGT-SNVBAGLBSA-N 317.388 0.658 10 10 DCCE CC[C@@H](CS(C)(=O)=O)NC(=O)COc1ccc(N)cc1 2146294798 FOBSJGPUOLCJGL-NSHDSACASA-N 300.380 0.587 10 10 DCCE C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)Cc1ccc(N)cc1 166985157 PVDMQZGUSLLNKJ-GXFFZTMASA-N 300.380 0.180 10 10 DCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CC(=O)O 2161501221 KYWRMYDLDRSRRV-VIFPVBQESA-N 302.352 0.646 10 10 DCCE O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2O)CCS1(=O)=O 2197722284 GRKGWYOBMIBPJR-NSHDSACASA-N 319.766 0.729 10 10 DCCE C[C@@H]1C[C@@H](COc2nnc(=N)[nH]n2)CN(C(=O)OC(C)(C)C)C1 2210643099 GXXBWYDYZVRZNQ-NXEZZACHSA-N 324.385 0.951 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCNC2)ccc1O 2236167712 JVFLWHZTPSKLLZ-QMMMGPOBSA-N 301.324 0.652 10 10 DCCE CCOC(=O)C1CCN(/C=C2\C(=O)NC(=O)N(CC)C2=O)CC1 313255 NCYXPOOUOQGOMC-PKNBQFBNSA-N 323.349 0.244 10 10 DCCE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCCO 103521139 FWCPLTMKWXEASD-RVDMUPIBSA-N 317.345 0.808 10 10 DCCE O=C(Nc1cc(O)c(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1 217278840 CMBAKMHCKQZZFU-LURJTMIESA-N 302.308 0.112 10 10 DCCE C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)Cc1ccc(N)cc1 227102547 ALKSXEWPBUWNIV-GXFFZTMASA-N 300.380 0.228 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN(C)CCCCO)nc12 276471835 YXTYPFHGUHTBLK-UHFFFAOYSA-N 322.365 0.816 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CO)cc1F 696845087 DVOUHIBWCLQHSB-STQMWFEESA-N 303.355 0.566 10 10 DCCE COc1ccc(CNC(=O)[C@H]2CSCN2C(C)=O)c(O)c1 794388593 YAANNCLGSUHZHT-GFCCVEGCSA-N 310.375 0.938 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 808528392 ZSOCVQCYPBVKEH-UHFFFAOYSA-N 316.335 0.016 10 10 DCCE C[C@H](N[C@H]1COC[C@@H]1S(C)(=O)=O)c1c(O)cccc1O 2207465758 OYHFCHPADRNSOX-AUTRQRHGSA-N 301.364 0.560 10 10 DCCE COC(=O)[C@H]1C[C@@H]1c1csc(NN(C)S(C)(=O)=O)n1 2339731061 UWZWHRHPQRNJDK-BQBZGAKWSA-N 305.381 0.638 10 10 DCCE CN1NC(=O)[C@H](CC(=O)NCCc2c[nH]c3ccccc23)C1=O 169995810 OLMVTOLMQRYJLQ-LBPRGKRZSA-N 314.345 0.336 10 10 DCCE C[S@](=O)CC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 722447551 YLICKFBZBPDCCW-KQPNJSLMSA-N 305.421 0.136 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCCCO 807094774 AJHHQRGLYMUPGT-UHFFFAOYSA-N 321.421 0.908 10 10 DCCE C/C(=C/C(=O)NCc1ccc(O)c(O)c1)CN1CCOCC1 901129876 AIDKXLVYGLMTDY-WQLSENKSSA-N 306.362 0.993 10 10 DCCE O=C(C(=O)N(CCO)C1CCC1)N1Cc2cccc(O)c2C1 1261864133 WTHCEUMQLWDQPH-UHFFFAOYSA-N 304.346 0.608 10 10 DCCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)CCO 1282505655 ZSGSBSBEYACPDS-JTQLQIEISA-N 307.354 0.891 10 10 DCCE O=C(CCC(=O)N1CCOCC1)NCc1cc(O)ccc1O 1455346993 IQCRSINAZLYBHS-UHFFFAOYSA-N 308.334 0.353 10 10 DCCE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557242 MJEILYULBJYOEG-VIFPVBQESA-N 300.363 0.868 10 10 DCCE Cc1ccc(CNCC(O)(CO)CO)c(O)c1Br 2327793773 XAKRLXLMXLUXSV-UHFFFAOYSA-N 320.183 0.268 10 10 DCCE NC[C@H](c1ccc(O)cc1O)N1CCN(c2ncccn2)CC1 32077830 HNVPQMDYHKQZMK-CQSZACIVSA-N 315.377 0.710 10 10 DCCE N[C@@](CO)(C(=O)O)c1ccc(I)cc1O 238617374 FPCBAJWPOPXGEM-SECBINFHSA-N 323.086 0.228 10 10 DCCE NC(=O)[C@@H]1CNCCN1Cc1c(O)cccc1Br 706806701 XKRASRLWETXLES-JTQLQIEISA-N 314.183 0.414 10 10 DCCE Cn1nnnc1CCNCc1ccc(N2CCOCC2)cc1 771878310 XFSDMPZNHILSJJ-UHFFFAOYSA-N 302.382 0.379 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CC(N)=O)C2)cc1 854298100 VUZPDEOCFOVBAH-RYUDHWBXSA-N 320.393 0.837 10 10 DCCE Cc1cc(C)n(CC(=O)NCc2ccc(O)cc2O)c(=O)n1 1626837916 JYULKDQLXYECPM-UHFFFAOYSA-N 303.318 0.588 10 10 DCCE O=C(NCCn1ncnn1)c1cc2cc(O)c(O)cc2s1 1631162814 DWYDHHATDRJUOA-UHFFFAOYSA-N 305.319 0.729 10 10 DCCE Nc1ccc(-n2nnc(C(=O)N3CCCC[C@H]3CCO)n2)cc1 1857878408 AKDDQCRPSBMOEE-LBPRGKRZSA-N 316.365 0.622 10 10 DCCE CC(=O)C(=O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCOCC1 1890316528 KQXVBWQONISXJL-LLVKDONJSA-N 301.339 0.579 10 10 DCCE CS(=O)(=O)N1CCC(O)([C@@H](N)c2ccccc2O)CC1 1920409274 DXWLXMALMSHCMI-LBPRGKRZSA-N 300.380 0.179 10 10 DCCE NS(=O)(=O)CCNCc1cc(OC(F)(F)F)ccc1O 2361043911 QLOAUNQLBAIQIR-UHFFFAOYSA-N 314.285 0.669 10 10 DCCE CO[C@H](CCS(C)(=O)=O)CNCc1ccc(O)cc1O 2364088127 XJNUJUDLJLGYSU-GFCCVEGCSA-N 303.380 0.637 10 10 DCCE CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 36131164 QHHUMZCNOGKPJU-ZDUSSCGKSA-N 311.407 0.651 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2C[C@H]3COC[C@@H](C2)O3)c1O 802657181 VPOLMHRFPOORRK-PHIMTYICSA-N 310.306 0.909 10 10 DCCE CN(C)c1ccc(CN(C(=O)C(=O)NCCCN)C2CC2)cc1 842222452 JRYKKJAZRQQMPM-UHFFFAOYSA-N 318.421 0.709 10 10 DCCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1F 858773403 TWNZYYHWTSAHMI-XYPYZODXSA-N 308.357 0.955 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nn3)C2)cc1 855225857 NECUGKPLQTWLPY-LLVKDONJSA-N 301.350 0.832 10 10 DCCE COCc1cc(NC(=O)C(=O)NCc2ccccc2O)ncn1 1323417054 LVYIYTMTUXGSGI-UHFFFAOYSA-N 316.317 0.584 10 10 DCCE CS(=O)(=O)N1CC[C@H](CNCc2cccc(F)c2O)C1 690686748 BWPCBQQKEQBJBB-SNVBAGLBSA-N 302.371 0.902 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCO2)cc1C 1715576322 PZNHLVXEHVZGPK-GOEBONIOSA-N 322.405 0.749 10 10 DCCE CC(=O)c1cn(C2CN(C(=O)c3cccc(O)c3O)C2)nn1 1637135008 STKPGBJRXHIZRK-UHFFFAOYSA-N 302.290 0.589 10 10 DCCE COc1cccc(CNC(=O)c2c(C)c[nH]c2CC(N)=O)c1O 1595800337 UYBDVFSRACWNTJ-UHFFFAOYSA-N 317.345 0.995 10 10 DCCE CCCN[C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1676615945 YMEGPZGJMPZBEF-GFCCVEGCSA-N 307.354 0.939 10 10 DCCE CN(C)c1ccc([C@@H](NC(=O)[C@@H](N)CO)c2nccn2C)cc1 1865952379 CNDORGPSWXFEGR-UONOGXRCSA-N 317.393 0.011 10 10 DCCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1O 387748814 ZTCYLONXKZEKQO-GXFFZTMASA-N 300.380 0.290 10 10 DCCE CCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1O 2177847976 MAKQJTAMMCJYMA-MNOVXSKESA-N 301.364 0.038 10 10 DCCE COCC(CNS(=O)(=O)Cc1ccc(N)cc1)COC 2199381408 HLNWDYVOWFTQIJ-UHFFFAOYSA-N 302.396 0.597 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)cc1Cl 2234077049 YOIUJSRJYNPBSE-MELADBBJSA-N 300.786 0.616 10 10 DCCE COC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 104192744 XVTDRIHFPILSKA-JXMROGBWSA-N 303.274 0.477 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C[C@@H](O)CN1CCOCC1 119430147 PYEHPQQEHZXQSC-HNNXBMFYSA-N 321.421 0.645 10 10 DCCE O=C(C(=O)N1CC[C@@]12CCOC2)N1Cc2cccc(O)c2C1 1261866815 OFYVRHKDIJINHF-INIZCTEOSA-N 302.330 0.626 10 10 DCCE COC(=O)[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)C1 1302955941 IFOZGXDYSGZOQO-RUTVOMACSA-N 307.302 0.294 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCOC1 1324960420 YODREJNGAPWIHM-LBPRGKRZSA-N 306.362 0.893 10 10 DCCE O=C(C(=O)N1CC[C@@](F)(CO)C1)N1Cc2cccc(O)c2C1 1329494107 LLFJAIMJYBITGS-HNNXBMFYSA-N 308.309 0.167 10 10 DCCE C[C@H](N)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330567823 MIAJXVHMGLKTAX-WDEREUQCSA-N 303.362 0.430 10 10 DCCE NC(=O)N[C@H](CO)C(=O)NCc1c(O)ccc2ccccc12 1635964840 BBDPOBXFPBWHDP-GFCCVEGCSA-N 303.318 0.191 10 10 DCCE C[C@@H]([C@H](C)C(=O)NCc1c(O)cccc1O)S(C)(=O)=O 1652625285 AAQSIJHVJSBOFZ-IUCAKERBSA-N 301.364 0.783 10 10 DCCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC[C@@H](C)O 1662429526 LPGLUCPXBAAQKS-VHSXEESVSA-N 307.354 0.938 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2n1 2063047665 WZMAIPXMBWAMIJ-SECBINFHSA-N 303.322 0.094 10 10 DCCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CN)cc2F)CCO1 2143671841 KWQFHFQQMCFJSQ-NSHDSACASA-N 302.371 0.534 10 10 DCCE CSCC[C@@H](NC(N)=O)C(=O)NCC1(CN=[N+]=[N-])CC1 2174353952 CQNGJMGMMGMTBH-MRVPVSSYSA-N 300.388 0.983 10 10 DCCE NCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2249579485 NFUUHGDGTMZQRE-RYUDHWBXSA-N 301.184 0.840 10 10 DCCE NC[C@H]1CC(F)(F)CN1S(=O)(=O)Cc1ccc(N)cc1 2296424993 MLPVKGGHBDWLGD-LLVKDONJSA-N 305.350 0.767 10 10 DCCE NC(=O)c1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1 36288637 MAOQSWSZXXEALO-UHFFFAOYSA-N 305.359 0.846 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nn[nH]n3)C2=O)cc1 101346742 UOWBYBCCUXTEGK-RMKNXTFCSA-N 313.277 0.087 10 10 DCCE C[C@H](CO)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 166814899 ZVIJNNOLQTZZJA-GHMZBOCLSA-N 302.396 0.584 10 10 DCCE COCCN(CC(=O)NC(N)=O)c1ccc(OC)c(OC)c1 266861740 KIYIECCWUWZXOE-UHFFFAOYSA-N 311.338 0.352 10 10 DCCE NCc1ccc(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)c(Br)c1 386936433 GOWGSJOCJBHTKH-DTORHVGOSA-N 324.178 0.617 10 10 DCCE CN(C)c1ccc(CN(C)S(=O)(=O)[C@@H]2COC[C@H]2O)cc1 828867987 GCDUUNQGTXJMBP-ZIAGYGMSSA-N 314.407 0.274 10 10 DCCE Nc1ccc(CCNC(=O)NC[C@H]2CCCCN2CCO)cc1 841955896 QULGLVBIWNULKL-MRXNPFEDSA-N 320.437 0.957 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N3CCNC(=O)C3)C2)cc1 854300826 BAXVNXDQDWXBKK-LBPRGKRZSA-N 318.377 0.415 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1 855227279 WXCYGZGSJTZWOW-SMDDNHRTSA-N 303.362 0.526 10 10 DCCE CCS(=O)(=O)c1ccccc1CC(=O)OCC(=O)C(C)=O 923611371 TWTZFXUECXUIQU-UHFFFAOYSA-N 312.343 0.724 10 10 DCCE Cc1noc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)n1 1351930826 NSSKKANNAAXZEQ-UHFFFAOYSA-N 316.317 0.584 10 10 DCCE NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCOCC1 1635019105 LDEWWXZLJFMYIR-GFCCVEGCSA-N 322.361 0.427 10 10 DCCE Cn1c(S)nnc1CCCNC(=O)Cc1ccc(O)c(O)c1 1641516480 MVGQCQJDHJQGAK-UHFFFAOYSA-N 322.390 0.807 10 10 DCCE NC(=O)[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1O 2053786795 VNXMFUYPDUFDIA-MWLCHTKSSA-N 315.167 0.887 10 10 DCCE C[C@H]1C[C@@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 2143960659 OYSUFXUEADULCP-WPRPVWTQSA-N 301.364 0.859 10 10 DCCE NCc1cc(F)c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(F)c1 2144171477 YBYBYQFMQUYTNU-AOOOYVTPSA-N 302.346 0.904 10 10 DCCE CN(C1(CO)CC1)S(=O)(=O)CCOc1ccc(N)cc1 2184610383 ZLMWERGLTHBLNJ-UHFFFAOYSA-N 300.380 0.434 10 10 DCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)cc1Cl 2289497142 BMDYJPSHEBYRNX-NHPAQXRMSA-N 301.770 0.544 10 10 DCCE CN1C(=O)NC(=O)C(=CNC[C@]2(C)C[C@H](O)CC(C)(C)C2)C1=O 2297593153 HNZXOGMTIJYWCC-QLJPJBMISA-N 323.393 0.745 10 10 DCCE C[C@@H](CO)CNC(=O)NCc1ccc(N2CCOCC2)cc1 54535161 UWWOKHUYXLNKFP-CYBMUJFWSA-N 307.394 0.951 10 10 DCCE CN(C)C(=O)CCNS(=O)(=O)CCOc1ccc(N)cc1 70490738 ZWEODMDZAGQZKI-UHFFFAOYSA-N 315.395 0.045 10 10 DCCE Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)NC1=O 100466856 BAOYWDFZNQUZNR-UHFFFAOYSA-N 312.285 0.223 10 10 DCCE CC(=O)C(=O)COC(=O)COCCNC(=O)c1ccccc1 808536597 VBXCSXTWUUEEFV-UHFFFAOYSA-N 307.302 0.134 10 10 DCCE NC(=O)c1cn(C2CN(Cc3cc(F)cc(F)c3O)C2)nn1 894979142 PVNKZITXBUMACB-UHFFFAOYSA-N 309.276 0.418 10 10 DCCE CCOCCOCC(=O)N(CC(=O)O)Cc1ccccc1O 911485781 LCZMHYHVDCGDLS-UHFFFAOYSA-N 311.334 0.859 10 10 DCCE O=C(CSc1n[nH]c(O)n1)NCCc1ccc(O)c(O)c1 1137464647 JIUFBZYJIIFEOD-UHFFFAOYSA-N 310.335 0.373 10 10 DCCE CN1CCN(c2ccc(CN[C@@H]3CCO[C@@H]3C(=O)O)cc2)CC1 1353916790 YQURIXFTWVSYGD-CVEARBPZSA-N 319.405 0.770 10 10 DCCE OCC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO 1560231665 YBVYKLVCWNNAIO-SJORKVTESA-N 320.433 0.946 10 10 DCCE C[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1O 1587451171 KNWBNQZYVFYEFS-VIFPVBQESA-N 313.317 0.654 10 10 DCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CCCO 2157795855 OAMSUCVWEUIROF-LLVKDONJSA-N 302.396 0.944 10 10 DCCE CO[C@H](C)[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 2161332558 WYEGLNNTXYLUPJ-GHMZBOCLSA-N 302.396 0.990 10 10 DCCE O=S1(=O)CCN(Cc2c(O)cccc2Cl)C2(CNC2)C1 2183502717 CBPIGVLIVUPMSG-UHFFFAOYSA-N 316.810 0.618 10 10 DCCE CCN(C(=O)COc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 38055690 NJECJKWWDUKLPK-LBPRGKRZSA-N 312.391 0.683 10 10 DCCE NCc1ccc(N2CC[C@@](O)(CO)C2)c(Br)c1 313655365 JVIDVEBZBZCOFU-LBPRGKRZSA-N 301.184 0.841 10 10 DCCE COC(=O)/C=C\c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 751961289 HXKFEAGVVNVTMN-BFJGBIGKSA-N 322.317 0.713 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C)C3=O)CC2)cc1 771866342 BPYYOZZJAYGFMK-OAHLLOKOSA-N 317.389 0.822 10 10 DCCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccn(C)n1 787799737 VYQKHMWKBBRBQN-NSHDSACASA-N 305.290 0.475 10 10 DCCE CCOc1ccc(CN2CCn3nnc(CO)c3C2)c(O)c1 894802788 HOWSGUFIDNSAPN-UHFFFAOYSA-N 304.350 0.891 10 10 DCCE N[C@@H]1CC[C@@H]1CS(=O)(=O)NCCc1ccc(O)c(O)c1 2178209957 QIIWORZNCNIBHY-GHMZBOCLSA-N 300.380 0.297 10 10 DCCE CCN(CC)c1ccc([C@H](O)[C@H](N)CS(C)(=O)=O)cc1 2360520710 BHCSCYMRVBANAB-KGLIPLIRSA-N 300.424 0.938 10 10 DCCE NCc1ccc(N2CCOC[C@H]2C(N)=O)c(Br)c1 129293603 FADBHHUYSLZYMO-NSHDSACASA-N 314.183 0.598 10 10 DCCE CCN(CCCO)S(=O)(=O)CCOc1ccc(N)cc1 165044262 FYAJOQYHZUNLQE-UHFFFAOYSA-N 302.396 0.682 10 10 DCCE CO[C@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 724881300 HWPRAQJQEKMSDL-STQMWFEESA-N 300.380 0.492 10 10 DCCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CN1CCOCC1 1565988721 LJMIHYOGPAANTF-LBPRGKRZSA-N 308.378 0.725 10 10 DCCE C[C@@H](CCS(C)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 1636147744 ZXUMQALGSJWDHO-VIFPVBQESA-N 301.364 0.580 10 10 DCCE CC(=O)c1cc(F)cc(CN(C)CCS(N)(=O)=O)c1O 1648222769 YIMNWFZBLDQBSR-UHFFFAOYSA-N 304.343 0.454 10 10 DCCE Cc1cccc(CNS(=O)(=O)N2CCC(O)CC2)c1O 2204619662 FFQYWQSKILNJOJ-UHFFFAOYSA-N 300.380 0.492 10 10 DCCE COc1ccc([C@@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2355678265 JXOWDNFXVBXVMF-XTWCZFFVSA-N 301.364 0.209 10 10 DCCE C[C@H](CN1CCCC1=O)NS(=O)(=O)Cc1ccc(N)cc1 40315258 LUUIBAPKUUHADE-LLVKDONJSA-N 311.407 0.699 10 10 DCCE COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)c(C)c1 148140247 BRTGTEXGLQVBOR-UHFFFAOYSA-N 302.352 0.852 10 10 DCCE COc1ccc(CN2CCCN(S(C)(=O)=O)CC2)c(O)c1 179905462 BXFDNASYUIIQNU-UHFFFAOYSA-N 314.407 0.868 10 10 DCCE C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CO)c1ccc(N(C)C)cc1 807670351 DKECADBLSCWWQR-RYUDHWBXSA-N 307.394 0.769 10 10 DCCE CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852899680 BQOMDXMCZGXRFP-RISCZKNCSA-N 321.377 0.281 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)NC(C)(CO)CO)C2)cc1 854297658 QBAITXUBGRQJOK-GFCCVEGCSA-N 323.393 0.316 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NCCC1(CN)CC1 1327409069 PLUKMGZZPCVIKT-UHFFFAOYSA-N 305.378 0.596 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)Cn2cnnn2)cc1C 1491390348 OQOSUXZLYIQQIP-GFCCVEGCSA-N 318.381 0.285 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1CC(=O)NC1=O 1640259723 BDBDBYDWDUVOCN-VIFPVBQESA-N 311.334 0.547 10 10 DCCE C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCCO 1725525436 RKEKLLRBAPPPPL-JTQLQIEISA-N 307.354 0.891 10 10 DCCE CCC[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857878978 QSWDSGQOIWTZFM-SNVBAGLBSA-N 304.310 0.228 10 10 DCCE CS(=O)(=O)N1CC[C@H](CNCc2c(O)cccc2F)C1 1964590102 YJEMYNDTHOOWKY-SNVBAGLBSA-N 302.371 0.902 10 10 DCCE NCc1ccc(N2CC(OCC(N)=O)C2)c(Br)c1 2028710970 VPEHBOWTDDEORC-UHFFFAOYSA-N 314.183 0.598 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)NCC(F)(F)F 2148017254 VCWGTJNVHYKNCO-UHFFFAOYSA-N 314.285 0.627 10 10 DCCE COC(=O)NCCCNS(=O)(=O)Cc1ccc(N)cc1 2175655899 FOKQNEBOSVLBRK-UHFFFAOYSA-N 301.368 0.434 10 10 DCCE CN(C)c1ccc([C@H]2SCC(=O)N2N2C(=O)CNC2=O)cc1 1086393 GLQSRZVJPBMOAF-CYBMUJFWSA-N 320.374 0.793 10 10 DCCE CCS(=O)(=O)N(C)Nc1nc(COC)c(C(=O)OC)s1 2365341805 PPOZYEYZBUGCIR-UHFFFAOYSA-N 323.396 0.685 10 10 DCCE O=S(=O)(CCNCc1ccc(O)c(O)c1)N1CCCC1 721873982 PMHKMJXADHXJQC-UHFFFAOYSA-N 300.380 0.613 10 10 DCCE COC(=O)[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2)C1 895709099 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COCC1(CNC(=O)C(=O)N(C)Cc2ccccc2O)CC1 1118390478 VOYCUSWYAMNDIP-UHFFFAOYSA-N 306.362 0.893 10 10 DCCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccnn1C 1163047699 VABGLRCVALKOFO-AWEZNQCLSA-N 319.317 0.404 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 1292514457 HHRXONQWHFLBAE-KGLIPLIRSA-N 320.389 0.698 10 10 DCCE COC1(OC)CCOC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1585187970 AFIZISXBLLXNQH-ZDUSSCGKSA-N 311.334 0.535 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)c1cccnc1OCCO 1622753067 FNEAZBYLOPVOHP-UHFFFAOYSA-N 318.329 0.836 10 10 DCCE COC[C@@H](CN)NCc1cc(Br)c(O)cc1O 2248029166 VUGIBNUYKBUQFI-MRVPVSSYSA-N 305.172 0.924 10 10 DCCE COCCN1C[C@@H](O)[C@H](NCc2cnc(SC)s2)C1 2269195283 SXUOVEKXPFOUAJ-GHMZBOCLSA-N 303.453 0.646 10 10 DCCE CN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S 2297620297 YXROEPPVLIAPEE-UHFFFAOYSA-N 307.287 0.557 10 10 DCCE CN(C)c1ccc([C@H](CN)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 36869715 SLWQCLQAHHOZDQ-CABCVRRESA-N 311.451 0.871 10 10 DCCE Cc1cc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc(C)c1O 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318.337 0.474 10 10 DCCE C[C@H]1[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCS1(=O)=O 313204247 ONCWFLQWBPZROK-JOYOIKCWSA-N 318.420 0.264 10 10 DCCE CCS(=O)(=O)NC1CN(c2ccc(CO)cc2Cl)C1 2109342975 BAKRMIVUDHVYLF-UHFFFAOYSA-N 304.799 0.960 10 10 DCCE COC[C@@H](ONC(=O)NCc1cnc(SC)s1)C(=O)O 2284503694 FWAHSJDAXYAGGE-SSDOTTSWSA-N 321.380 0.695 10 10 DCCE CCN1C(=O)[C@H]2CN(Cc3cc(F)ccc3O)CCN2C1=O 368588139 CZVUJPCHIRWCHA-GFCCVEGCSA-N 307.325 1.000 10 10 DCCE COc1cccc(CN2CCC[C@H](CS(N)(=O)=O)C2)c1O 271150469 AVQRASNLSQYKHI-NSHDSACASA-N 314.407 0.901 10 10 DCCE COC1(CNS(=O)(=O)CCOc2ccc(N)cc2)CC1 2166597016 FTUYCDNIWZNZKQ-UHFFFAOYSA-N 300.380 0.746 10 10 DCCE CC(=O)C(=O)COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 808516803 QKVSDWGNMFKBBS-UHFFFAOYSA-N 309.230 0.487 10 10 DCCE O=S(=O)(C[C@H]1CNCCO1)Nc1ccc(O)cc1Cl 722250052 ZQMQZUWVUNMITN-SECBINFHSA-N 306.771 0.776 10 10 DCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCNC(=O)CO 910558209 MEBJFVJNGWCXGN-ZDUSSCGKSA-N 321.421 0.607 10 10 DCCE CONC(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 923187366 MDGPIYIEGKTSIZ-NSHDSACASA-N 322.365 0.251 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cnc(N)n3)C2)cc1 869229534 XXKQWOHTEOONNT-LLVKDONJSA-N 316.365 0.264 10 10 DCCE CN(Cc1ccccc1O)C(=O)CN1CCCCC(=O)C1=O 866596528 GVXZKKRODZNYMN-UHFFFAOYSA-N 304.346 0.932 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2c(O)nnc2O)c1 1445971188 SZXLKZPSEKLRPT-SSDOTTSWSA-N 308.294 0.281 10 10 DCCE CNC(=O)[C@H]1CCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063896821 ATQCFCDOQBDSSB-SNVBAGLBSA-N 303.322 0.094 10 10 DCCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCCNCC1 2089617368 QYZFOBOCZOTFAH-UHFFFAOYSA-N 305.787 0.998 10 10 DCCE CSc1ncc(CNC(=O)[C@H](C)N2CCNCC2=O)s1 2284506404 FFUJJKOFCZHZIB-QMMMGPOBSA-N 314.436 0.302 10 10 DCCE CN(C)c1ccc2c(c1)[C@H](CN)N([C@@H]1CCS(=O)(=O)C1)C2 71683313 CBAYCAOUSYQQLZ-HIFRSBDPSA-N 309.435 0.755 10 10 DCCE COC(=O)CC[C@H](N)c1ccc(S(C)(=O)=O)c(F)c1O 260742771 ZGDFVUFSBGNWCY-QMMMGPOBSA-N 305.327 0.888 10 10 DCCE C[C@@H](NCCN1CCCS1(=O)=O)c1cc(O)ccc1O 405372557 DLAZZJIZIBENAE-SNVBAGLBSA-N 300.380 0.784 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 529644075 RFRJAMKUDJMQPE-NSHDSACASA-N 323.349 0.251 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@H](Oc2ccncn2)C1 585344402 ONUIJQRVUBVGAE-NSHDSACASA-N 316.317 0.966 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)CCCS(C)(=O)=O 751240603 SCKROLDAELQCGM-UHFFFAOYSA-N 321.420 0.589 10 10 DCCE CCn1c(O)nc2cc(C(=O)OCC(=O)C(C)=O)ccc2c1=O 808506573 MBICIUZIRBKFAY-UHFFFAOYSA-N 318.285 0.437 10 10 DCCE CN(C)c1ccc([C@@H](CNC(=O)c2nc[nH]n2)N(C)C)cc1 891251875 HUBFEKSHRABDNL-CYBMUJFWSA-N 302.382 0.903 10 10 DCCE CCc1cccc(CNCc2nnc3c(=O)n(C)ccn23)c1O 895638257 DCDVJJUZOJBZRY-UHFFFAOYSA-N 313.361 0.986 10 10 DCCE CN1CCO[C@@H](CS(=O)(=O)NCc2c(O)cccc2F)C1 921451441 PSCWGKCYBXZGII-SNVBAGLBSA-N 318.370 0.281 10 10 DCCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927033279 OOWJEPBPXDJNFU-BXUZGUMPSA-N 300.424 0.809 10 10 DCCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc(N(C)C)cc2C)C1 932943147 HVAVOKQEWLKBLN-INIZCTEOSA-N 319.405 0.925 10 10 DCCE Cn1cc(O)c(=O)cc1CNC(=O)/C=C/c1ccc(O)c(O)c1 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COC(=O)CCNC(=O)CCNC(=O)c1cc(O)cs1 863156960 PYCGQFMYKFSMRU-UHFFFAOYSA-N 300.336 0.253 10 10 DCCE COc1cccc(CNC(=O)CN2C(=O)NC(C)(C)C2=O)c1O 769504085 VPFRRLBJYSGKPV-UHFFFAOYSA-N 321.333 0.347 10 10 DCCE CC(=O)C(=O)[C@@H](O)c1nn(C)cc1I 1884944183 BOHASBMYPWWOJA-QMMMGPOBSA-N 308.075 0.216 10 10 DCCE COC(=O)C1(O)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 1458552024 XVCQKRJHJVXARA-UHFFFAOYSA-N 312.278 0.336 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN(CCCO)C1 1468172089 MQRSBJZIBAFABK-CYBMUJFWSA-N 308.378 0.603 10 10 DCCE CC(C)(CO)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1567081600 VEVMDUJKXLFBMJ-UHFFFAOYSA-N 308.378 0.555 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(N[C@@H]2CCOC2)C1 1647773164 ONOWFOQXTMYYDM-FXMSTWTQSA-N 304.346 0.700 10 10 DCCE CCOc1cccc(CNCCC(=O)NCCNC(C)=O)c1O 1857859682 BARXIGSEKLKOOS-UHFFFAOYSA-N 323.393 0.523 10 10 DCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)N1CCOCC1 38089881 JUFZQQWLHRTMPH-LLVKDONJSA-N 300.380 0.962 10 10 DCCE CS(=O)(=O)[C@H]1CCC[C@](NCCCN=[N+]=[N-])(C(N)=O)C1 2160817353 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10 10 DCCE C[S@@](=O)CCC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2089654112 OGNYFOLDFXQGJK-MOPGFXCFSA-N 304.389 0.798 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2CCOCC2)cc1 70490903 HWRHUPIVBRSRBW-UHFFFAOYSA-N 314.407 0.994 10 10 DCCE COC[C@H]1[C@@H](O)[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2358564751 ITUAVROFAOPTLO-RWMBFGLXSA-N 304.749 0.495 10 10 DCCE COc1ccc(C(=O)OCC(=O)C(C)=O)cc1N1CCNC1=O 808522577 ICXZMNKSJSWXTG-UHFFFAOYSA-N 320.301 0.540 10 10 DCCE CO[C@@H](C)CCS(=O)(=O)NCCc1ccc(O)c(O)c1 2165534115 GRFVSDXOMHPFRC-JTQLQIEISA-N 303.380 0.985 10 10 DCCE CNC(=O)CC(=O)NCc1cc(Br)ccc1O 804738647 YJZZNAJSJQDPMD-UHFFFAOYSA-N 301.140 0.907 10 10 DCCE Nc1ccc(CCNC(=O)c2cn([C@H]3CCCNC3)nn2)cc1 818545095 HIPVBVKXMSKUMZ-AWEZNQCLSA-N 314.393 0.757 10 10 DCCE CNCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 722216793 OUKIKOMKLFRECO-UHFFFAOYSA-N 307.397 0.019 10 10 DCCE Cc1ccc(C(=O)NCC23COCCN2CCOC3)c(O)c1O 913302496 CJMCKXKFEOBYAY-UHFFFAOYSA-N 322.361 0.237 10 10 DCCE O=C(CCC(=O)N1CCC(O)CC1)NCc1c(O)cccc1F 928706112 QPYOAYOPNLNIBV-UHFFFAOYSA-N 324.352 0.911 10 10 DCCE COCn1nccc1S(=O)(=O)N1Cc2cccc(O)c2C1 867691473 XJBYAGFNARLSJJ-UHFFFAOYSA-N 309.347 0.897 10 10 DCCE C[S@](=N)(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1177171746 DLCZDLOJRWIINO-OAQYLSRUSA-N 313.379 0.376 10 10 DCCE COC[C@@H](C(N)=O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 1450313487 RGTVBNGMVLGOBY-QMMMGPOBSA-N 324.358 0.885 10 10 DCCE CN(C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 227881567 QUFBNMVQKMCVQU-ZDUSSCGKSA-N 301.412 0.001 10 10 DCCE Cn1cnn(CC(=O)NCc2ccc3cccnc3c2O)c1=O 1639621690 PFHIMYTYKOBXFJ-UHFFFAOYSA-N 313.317 0.152 10 10 DCCE CNCc1cc(F)c(N2CC(NS(C)(=O)=O)C2)c(F)c1 703165969 BPHVBWTWMXCKKB-UHFFFAOYSA-N 305.350 0.422 10 10 DCCE CCOC(=O)C1(NCCCN=[N+]=[N-])CC(S(C)(=O)=O)C1 716089495 SWZYCNLEOIPITI-UHFFFAOYSA-N 304.372 0.785 10 10 DCCE COCCO[C@H]1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062121486 NHLQVOXEIUDUFN-NSHDSACASA-N 320.349 0.621 10 10 DCCE CN(Nc1nc2c(s1)CCC[C@@H]2C(=O)O)S(C)(=O)=O 2339730444 LBLBABHHPKYULN-LURJTMIESA-N 305.381 0.866 10 10 DCCE Cc1n[nH]cc1CNS(=O)(=O)CCOc1ccc(N)cc1 70490723 CTQDDTLVFXZZRB-UHFFFAOYSA-N 310.379 0.799 10 10 DCCE CCOC(=O)C(=O)N1CCc2cc(N3CCOCC3)ccc21 75358654 IRJQUPSGICWABJ-UHFFFAOYSA-N 304.346 0.975 10 10 DCCE CN(CCO)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 92775316 CBWCGCRVMPLVOC-SNVBAGLBSA-N 300.156 0.830 10 10 DCCE Cc1cc(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)n[nH]1 238905146 RULLXBIBCLPZJL-UHFFFAOYSA-N 317.349 0.923 10 10 DCCE C[C@H](Cn1cncn1)N1C(=O)CN(Cc2ccccc2O)C1=O 819167460 BADPNSRHGDGXLN-LLVKDONJSA-N 315.333 0.837 10 10 DCCE Cc1ccc(CNCCc2nnc3c(=O)n(C)ccn23)c(O)c1 895788736 FYHLYURHGGQJJB-UHFFFAOYSA-N 313.361 0.774 10 10 DCCE CS(C)(=O)=NC(=O)CNC(=O)N1Cc2cccc(O)c2C1 923602820 GVCVRPRZITXIOE-UHFFFAOYSA-N 311.363 0.672 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1178281795 ULJPPYYHDXARGD-IIIGMIHZSA-N 307.346 0.892 10 10 DCCE O=C(NCCn1cnnn1)c1cc2cc(O)c(O)cc2s1 1622326511 BVGXRZRMIOIKTL-UHFFFAOYSA-N 305.319 0.729 10 10 DCCE O=C(NCc1c(O)cccc1F)c1cn(C(F)(F)CO)nn1 1646038900 JLYTUWLYEVVQDD-UHFFFAOYSA-N 316.239 0.594 10 10 DCCE C[C@H](N)c1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915248476 HFYHEPLIPOOTCY-ZETCQYMHSA-N 314.183 0.505 10 10 DCCE CCS(=O)(=O)N(C)CCNC(=O)c1ccc(O)c(O)c1 1926342066 CEDZNQYIOVVGQL-UHFFFAOYSA-N 302.352 0.109 10 10 DCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)c(Br)c1 2042555436 MESYQWIQVGGCLI-YJRXYDGGSA-N 313.195 0.838 10 10 DCCE CNCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1Cl 2146327579 YPGKBAYKVRCADZ-KBPBESRZSA-N 300.786 0.618 10 10 DCCE CC(C)S(=O)(=O)NC1CN(c2ccc(CN)c(F)c2)C1 2165627087 AACJULVHCUXJFS-UHFFFAOYSA-N 301.387 0.801 10 10 DCCE C[C@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1cc(O)ccc1O 2207465323 LZVCLXYDHRMLMJ-RLCGTCKNSA-N 301.364 0.560 10 10 DCCE CCCN(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)NC1=O 270569593 GPKYWIGCLVAHCS-NSHDSACASA-N 305.334 0.729 10 10 DCCE CC(=O)C(=O)COC(=O)C1CCN(C(=O)N2CCCC2)CC1 808503433 CYLZCNGRGIEDFJ-UHFFFAOYSA-N 310.350 0.616 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 808515244 LZOZRCFJPYPYTH-INIZCTEOSA-N 319.357 0.886 10 10 DCCE O=S(=O)(CCN1CCNCC1)Nc1ccc(O)c(Cl)c1 722223595 LKMFTKRSPDEZKM-UHFFFAOYSA-N 319.814 0.693 10 10 DCCE CNC(=O)c1c(NC(=O)Cc2ccc(O)c(O)c2)n[nH]c1C 1557762392 ILEFNEYEXQKUOE-UHFFFAOYSA-N 304.306 0.670 10 10 DCCE NC(=O)N1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1638777619 PRZWJENTKKLISI-MRVPVSSYSA-N 311.313 0.757 10 10 DCCE CS(=O)(=O)CCSC[C@H](O)COc1ccc(N)cc1 111004226 OSJRDQGRAWXHGV-LLVKDONJSA-N 305.421 0.786 10 10 DCCE CN(C[C@H]1COCCO1)S(=O)(=O)Cc1ccc(N)cc1 2143680969 ASIMCSVYMVSGAT-ZDUSSCGKSA-N 300.380 0.446 10 10 DCCE COC(=O)[C@@H](N)CS(=O)(=O)Nc1c(C)cc(O)cc1C 2286051975 SADMWFYGUQUNAD-JTQLQIEISA-N 302.352 0.251 10 10 DCCE NCc1ccc(N2CC([C@H](O)CO)C2)cc1Br 2300045408 RBRFKMGMDPNGST-GFCCVEGCSA-N 301.184 0.697 10 10 DCCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CCS(C)(=O)=O 111006038 BZKGCNJFOZVRHN-HOGDKLEQSA-N 318.420 0.389 10 10 DCCE CC[S@@](=O)CCNC(=O)NCc1cc(OC)ccc1O 741087916 GYHWATGLSIHVQL-HXUWFJFHSA-N 300.380 0.969 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(N)=O 771216034 ZYLCLLZLQMYCTL-UHFFFAOYSA-N 306.366 0.150 10 10 DCCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccn(C)n1 787799736 VYQKHMWKBBRBQN-LLVKDONJSA-N 305.290 0.475 10 10 DCCE O=C(NCc1cc(Br)ccc1O)c1n[nH]c(O)n1 807736806 HXBJDEMYUQSAIL-UHFFFAOYSA-N 313.111 0.908 10 10 DCCE O=C(NCc1ccccc1O)C1(n2cnnn2)CCOCC1 830526290 IKNROANSVSJYKD-UHFFFAOYSA-N 303.322 0.201 10 10 DCCE CNC(=O)C1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 855231596 WQNACZUMQMQBIT-LBPRGKRZSA-N 317.389 0.916 10 10 DCCE CC(=O)N1CCO[C@H](C(=O)NCc2cccc(Cl)c2O)C1 890762608 HAEGAUDMADYDRD-LBPRGKRZSA-N 312.753 0.909 10 10 DCCE COc1ccc(-n2nnnc2CN[C@H](C)CCNC(C)=O)cc1 1266122461 QYFOVLYGCIPECL-LLVKDONJSA-N 318.381 0.675 10 10 DCCE CCc1cccc(CNCc2nnc3n2CCNC3=O)c1O 1331580774 QIGAQTIOBBMQHR-UHFFFAOYSA-N 301.350 0.579 10 10 DCCE C[C@H](O)[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1332074230 LJVAZVAJGUGHSL-GXFFZTMASA-N 304.346 0.606 10 10 DCCE Cc1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)c(O)c1O 1332159315 IIWLNRYKGAXBMC-UHFFFAOYSA-N 311.359 0.523 10 10 DCCE C[C@]1(CCCC(=O)NCc2ccccc2O)NC(=O)NC1=O 1445972820 UGOWJCSJQDVACT-OAHLLOKOSA-N 305.334 0.777 10 10 DCCE O=C(N[C@@H](CO)[C@H](O)c1cccnc1)c1cccc(O)c1O 1471072357 XQKVJCLZTQSSJS-WCQYABFASA-N 304.302 0.317 10 10 DCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Cl 2289497143 BMDYJPSHEBYRNX-OBPYKSBLSA-N 301.770 0.544 10 10 DCCE Cc1ccc(CNC(=O)C2(N)COC2)c(O)c1Br 2327591653 LGWHTBIRPXKNIH-UHFFFAOYSA-N 315.167 0.807 10 10 DCCE Cn1cc(CNS(=O)(=O)CCOc2ccc(N)cc2)cn1 70490754 UALRQDVINGRBCO-UHFFFAOYSA-N 310.379 0.501 10 10 DCCE CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCOCC1 161527815 GCGXNJGRUHQLIU-MRXNPFEDSA-N 319.405 0.811 10 10 DCCE C[C@@H](N)c1ccc(N2CC(=O)NC(=O)C2)cc1Br 235211089 OYIIPJONBKOCKM-SSDOTTSWSA-N 312.167 0.932 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N(C)[C@H]3CCS(=O)(=O)C3)ccc21 252373934 WSQUHUFIUOAKMM-GWCFXTLKSA-N 309.391 0.523 10 10 DCCE O=C(CN1CCOCC1=O)NCc1ccc(N2CCCC2)cc1 280263156 UGZWTVJVXCSMQI-UHFFFAOYSA-N 317.389 0.762 10 10 DCCE CCN1C(=O)[C@H]2CN(Cc3cccc(OC)c3O)CCN2C1=O 362007925 DMQPFRBXNMGKLD-GFCCVEGCSA-N 319.361 0.869 10 10 DCCE Nc1ccc(NC(=O)C(=O)N2CCC[C@](O)(C3CC3)C2)cc1 850845587 IFHWJEOVXWZJLT-MRXNPFEDSA-N 303.362 0.971 10 10 DCCE CO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 852791528 ITXCKYLMWLLIEP-IMJJTQAJSA-N 321.421 0.920 10 10 DCCE CN1C(=O)C(=Cc2c3c(nn2C)CCCC3)C(=O)N(C)C1=O 864362793 KKOJORKEJXDHLT-UHFFFAOYSA-N 302.334 0.733 10 10 DCCE c1cc(N2CCOCC2)ccc1CN1CCNCCNCC1 923459807 HAVABMJHYJPROK-UHFFFAOYSA-N 304.438 0.518 10 10 DCCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)C1 924026452 DXZXMASCKXXAGY-KYZUINATSA-N 316.354 0.906 10 10 DCCE Cn1nnnc1C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1177023883 VOBNLBYGJQHVQU-UHFFFAOYSA-N 317.349 0.570 10 10 DCCE O=C(NCc1cc(O)ccc1O)[C@H]1CCc2nnnn2CC1 1303225412 HRCUUCDWWZZBMH-VIFPVBQESA-N 303.322 0.353 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1CN 1332891384 BPTVICPBVXCMKX-VXGBXAGGSA-N 317.389 0.678 10 10 DCCE CN(Cc1nccn1C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351817787 ZHNROHMQDDZNSA-UHFFFAOYSA-N 314.345 0.627 10 10 DCCE CN(CCn1cnnc1)CC(=O)NCc1ccc(N(C)C)cc1 1620550911 CCTICBNZBNPRMN-UHFFFAOYSA-N 316.409 0.592 10 10 DCCE CN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1866302721 BAGWGKFWVIKSOB-MRVPVSSYSA-N 301.320 0.063 10 10 DCCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)CCN1 2103305949 VKYBNJKPYPJNJL-MRVPVSSYSA-N 305.787 0.996 10 10 DCCE C[C@H](NC(=O)[C@H](N)CCS(C)(=O)=O)c1ccccc1O 2192624136 UEYFFMTYSABKMD-GXSJLCMTSA-N 300.380 0.331 10 10 DCCE CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1162279132 ROKLMNHTVDISAX-UHFFFAOYSA-N 316.379 0.386 10 10 DCCE Cc1c(C(=O)NCc2ccccc2O)nnn1-c1cnn(C)c1 1631540176 MTBKUHPPCWRWEX-UHFFFAOYSA-N 312.333 0.945 10 10 DCCE Cc1nn(C)c(=O)c(C(=O)NCc2c(O)cccc2O)c1C 1652626470 WCMZRUVXZFWXHX-UHFFFAOYSA-N 303.318 0.738 10 10 DCCE COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 1686759562 BMDZXEAMQZBVAG-GXSJLCMTSA-N 307.350 0.854 10 10 DCCE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)CCOc1ccc(N)cc1 1914429518 FBQKHUBSFRQVJV-MFKMUULPSA-N 300.380 0.433 10 10 DCCE N[C@H](c1cc(I)ccc1O)[C@@H](O)C(=O)O 1952069026 FWPQELVZAUFFSU-HTQZYQBOSA-N 323.086 0.442 10 10 DCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 49063654 LGCJKKSUBIGQPW-LURJTMIESA-N 303.292 0.394 10 10 DCCE Cc1[nH]nc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1CO 2157760537 ZBXBVLIHVJIJKS-UHFFFAOYSA-N 301.299 0.856 10 10 DCCE O=C(O)[C@H]1CN(Cc2ccc(Cl)cc2O)CCS1(=O)=O 2197722283 GRKGWYOBMIBPJR-LLVKDONJSA-N 319.766 0.729 10 10 DCCE CN(C)S(=O)(=O)[C@H]1CCN(Cc2c(O)cccc2F)C1 2279279120 AYAUUYKJZUWJKT-JTQLQIEISA-N 302.371 0.997 10 10 DCCE CC(=O)NC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 189960118 IRVDDWWFNKQQNB-UHFFFAOYSA-N 308.357 0.922 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)cc1 869228607 LJZXSYKPBWOYNU-SWLSCSKDSA-N 317.389 0.916 10 10 DCCE Cc1ccc([C@H](C)NC[C@]23COCCN2C(=O)COC3)c(O)c1 866554444 RDYGPZRAIDHWFG-SUMWQHHRSA-N 320.389 0.979 10 10 DCCE Cc1nc(C(=O)NCc2c(O)cccc2F)nn1-c1nc[nH]n1 1156164214 RQRLKCVKPMBRIU-UHFFFAOYSA-N 317.284 0.469 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CNC(=O)C2)c1 1478819304 JINVDVGDNPSLTJ-VHSXEESVSA-N 307.350 0.897 10 10 DCCE CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1626838166 OVILDHRCVZRINE-UHFFFAOYSA-N 301.364 0.927 10 10 DCCE COc1cc(C(=O)N[C@H](C)CNC(=O)C(C)C)cc(OC)n1 1744629348 OGKVDSJGOQJDJL-SNVBAGLBSA-N 309.366 0.989 10 10 DCCE CN(C(=O)CN1CC[C@@H](N=[N+]=[N-])C1)[C@H]1CCS(=O)(=O)C1 1912170066 RXXAHHHFAUDBES-ZJUUUORDSA-N 301.372 0.017 10 10 DCCE CN(CC(CO)CO)c1ccc(CO)cc1Br 1945269620 UAZFMUIHPCIBNP-UHFFFAOYSA-N 304.184 0.978 10 10 DCCE N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCN(Cc2ccccc2)C1 1980376238 FBZRLYHHELBBBK-MPGHIAIKSA-N 315.417 0.855 10 10 DCCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)CC1 2161839316 FPBRTWQGIWMBMG-GHMZBOCLSA-N 303.388 0.853 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)c2n1 2063955493 DHZIBZRFQKOIEB-RNCFNFMXSA-N 315.377 0.956 10 10 DCCE C[C@@H](O)[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCO1 2174151463 RBOMJQYPBYJAJO-MFKMUULPSA-N 300.380 0.180 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@H]1CC[C@H]1O 2178206305 RUMHMGGMWSRZNQ-RDDDGLTNSA-N 302.308 0.813 10 10 DCCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 274883402 DJLLHCMGKJEUIO-SSDOTTSWSA-N 317.319 0.641 10 10 DCCE Nc1ccc(CNC(=O)C2(n3cnnn3)CCOCC2)cc1 850711719 QVXCMIPRLYIJMM-UHFFFAOYSA-N 302.338 0.077 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H](OC)C(=O)O)C2)cc1 901681583 KGXZKLWDCWNTJV-BXUZGUMPSA-N 322.361 0.737 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)C1CC1 1138153113 YAPUQXQFJXHSMA-VIFPVBQESA-N 313.375 0.722 10 10 DCCE O=C(C(=O)N1CCC2(COC2)C1)N1Cc2cccc(O)c2C1 1261867511 JALSQNDVTFOAMH-UHFFFAOYSA-N 302.330 0.483 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NCCN2CCNC2=S)cc1 1638002941 SFPSUUBTOGRDOV-UHFFFAOYSA-N 320.378 0.769 10 10 DCCE CCN(C(=O)CN1CC(N=[N+]=[N-])C1)[C@@H]1CCS(=O)(=O)C1 1912169440 KNQLLEOEKVEXFE-SNVBAGLBSA-N 301.372 0.017 10 10 DCCE NCc1cc(F)c(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2068380021 ZUSFLTDQUAAZQG-RYUDHWBXSA-N 319.174 0.979 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@H](CO)CO2)cc1 2157532152 LAGSCKCFCICDJG-WCQYABFASA-N 300.380 0.086 10 10 DCCE CS(=O)(=O)[C@H]1CCN(c2ccc(CO)cc2[N+](=O)[O-])C1 2179916389 HGEUPPHJYOUQIV-JTQLQIEISA-N 300.336 0.710 10 10 DCCE Cc1cccc(CNCCS(=O)(=O)CCC(=O)O)c1O 2204626124 QKJZJDUVQLLHEG-UHFFFAOYSA-N 301.364 0.680 10 10 DCCE C[C@@H]1O[C@H](CC(=O)O)C[C@@]23O[C@@]12C(=O)c1c(O)cccc1C3=O 14612166 SVGOJJZXRJJDLY-CDUDELDCSA-N 318.281 0.931 10 10 DCCE biogenic COC(=O)CS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1 36336916 KTXMJPJMVNMRHE-UHFFFAOYSA-N 314.363 0.575 10 10 DCCE NCc1ccc(N2CCNC(=O)C2)c(F)c1Br 231838709 OJYWIECHHXHHOK-UHFFFAOYSA-N 302.147 0.983 10 10 DCCE CN(C)CCOCCNS(=O)(=O)Cc1ccc(N)cc1 234259297 CSQJNPXJSDGAJX-UHFFFAOYSA-N 301.412 0.266 10 10 DCCE COC(=O)/C=C/c1ccc(N(CCO)C[C@H](C)O)c([N+](=O)[O-])c1 291218981 VTQGEZVPMTYOOY-MALLOTDXSA-N 324.333 0.961 10 10 DCCE C[S@@](=O)CCC[S@](=O)CC(=O)Nc1ccc(N)cc1 320161267 MWTSJGOHKLXUAC-MOPGFXCFSA-N 302.421 0.725 10 10 DCCE CN(C)c1ccc(CNC(=O)NCCc2nnnn2C)cc1F 772077441 GRVPUYSBXCNYEI-UHFFFAOYSA-N 321.360 0.457 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 808521714 AXGLQAVHUCPCEM-HNNXBMFYSA-N 323.320 0.900 10 10 DCCE CCOC(=O)CC1(NC(=O)c2ccc(C)c(O)c2O)COC1 1603084703 OWRRQOSAORTFGJ-UHFFFAOYSA-N 309.318 0.858 10 10 DCCE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1(COc1nnc(=N)[nH]n1)C2 1900172102 SMXFPDVBTIJZNY-DEZZCRIOSA-N 322.369 0.848 10 10 DCCE COc1cccc(O)c1CNCCNS(=O)(=O)C1CC1 1964611038 YVTBJUMTIIFMEC-UHFFFAOYSA-N 300.380 0.572 10 10 DCCE COCCn1nnnc1Sc1ncc(C(=O)OC)s1 2126228193 DKLZWFFYLIBQDV-UHFFFAOYSA-N 301.353 0.714 10 10 DCCE OCCC1(O)CN(c2ccc(CO)c(Br)c2)C1 2249539503 IPGLPQYMLCYCML-UHFFFAOYSA-N 302.168 0.875 10 10 DCCE CP(C)(=O)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)O 2360618522 ZTKDTWRXHZRCTA-QMMMGPOBSA-N 301.235 0.904 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@]2(O)CCCOC2)cc1 2168086856 FDNDNYPJSOEHFH-ZDUSSCGKSA-N 300.380 0.230 10 10 DCCE Cn1ccnc1C1(O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1123879090 FOBJEXKAYPJNGF-HWKANZROSA-N 315.329 0.575 10 10 DCCE CCN1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 897361201 BGHOQICYFFTXHJ-OAHLLOKOSA-N 318.421 0.579 10 10 DCCE CCCCS(=O)(=O)NCC(=O)NCc1c(O)cccc1O 1304053578 ONIRTZOSRLLNIZ-UHFFFAOYSA-N 316.379 0.434 10 10 DCCE CN1CCN(c2ccc(CN3CC(C)(C(N)=O)C3)cc2F)CC1 1326615789 YVGFVXDBBQVCRK-UHFFFAOYSA-N 320.412 0.885 10 10 DCCE O=C(NC1CC1)N[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1447375312 GYRUKQVHJOGEHS-GFCCVEGCSA-N 319.361 0.703 10 10 DCCE O=C(NCCc1nc(=O)o[nH]1)c1cc2cc(O)c(O)cc2s1 1635387407 IDYRRYSXQWVTEB-UHFFFAOYSA-N 321.314 0.961 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)cc1C 1690616932 SNVPZSOAHLJCJQ-WCQYABFASA-N 320.393 0.279 10 10 DCCE CO[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 2187376763 YTPRVPYHHHKQFT-JHJVBQTASA-N 300.380 0.227 10 10 DCCE CS(=O)(=O)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2227877136 CNVAKQNWSMLGDS-UHFFFAOYSA-N 310.309 0.044 10 10 DCCE Cc1ccc(CN(C)C(=O)[C@H](O)CN)c(O)c1Br 2327604475 XWEJPSVVEKXOSN-SECBINFHSA-N 317.183 0.741 10 10 DCCE Nc1ccc(OC[C@H](O)CSc2nc(N)cc(N)n2)cc1 51328565 NAZYTXSQWMRJHL-VIFPVBQESA-N 307.379 0.755 10 10 DCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCCS(=O)(=O)C1 90259933 BXFDXWHMRGHMKD-NSHDSACASA-N 304.372 0.787 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CCS(=O)(=O)CC3)c(Cl)cc21 92750539 ONALSVWQGWPAQV-NSHDSACASA-N 315.782 0.527 10 10 DCCE COCCNCc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164132328 VLFCZUKBJWRIMD-UHFFFAOYSA-N 311.769 0.539 10 10 DCCE COCCS(=O)(=O)CCOC(=O)Cc1ccc(N)cc1 312675996 OFYXOHTZUOFHDC-UHFFFAOYSA-N 301.364 0.416 10 10 DCCE COc1ccc(N(C)CCN(C)C(=O)C2=NO[C@H](CN)C2)cc1 852895679 GVJRQFXIVXVECK-AWEZNQCLSA-N 320.393 0.693 10 10 DCCE CCOC(=O)[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852899682 BQOMDXMCZGXRFP-SMDDNHRTSA-N 321.377 0.281 10 10 DCCE C[C@@H]1C[C@@]1(C(=O)O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 1331845037 GJQMLBLFOUOPMK-HICWGWBUSA-N 305.378 0.979 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)C1CC2(C1)CS(=O)(=O)C2 1566360127 ZLKBODKBQKBJMB-UHFFFAOYSA-N 311.359 0.539 10 10 DCCE C[C@@]1(CO)C[C@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1640904443 QENFJGJPIGBXRW-FZMZJTMJSA-N 306.322 0.807 10 10 DCCE Cc1ccc(O)c(CNCCC(=O)N2CCC(C(N)=O)CC2)c1 1857862036 WDYMVZBFXOLVLJ-UHFFFAOYSA-N 319.405 0.904 10 10 DCCE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 1912169808 PFBDGGGVEYJAGX-NXEZZACHSA-N 301.372 0.569 10 10 DCCE CN(C(=O)CCOc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 41563447 WLNNKFDUPUBDQJ-GFCCVEGCSA-N 312.391 0.683 10 10 DCCE C[C@@H](NC(=O)C(=O)N1CC(CO)C1)c1ccc(N(C)C)cc1 807675065 UHJOZKTUZOEFOE-LLVKDONJSA-N 305.378 0.381 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1C(=O)c1ccco1 808507330 IIWMLFFMSVYDNH-LLVKDONJSA-N 307.302 0.976 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CS(=O)(=O)C1 1116743386 KMWMYNGGSBEBSM-RQOWECAXSA-N 311.359 0.662 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C1CCOCC1 773744122 MZBSXOIGQBUILP-MEBBXXQBSA-N 309.362 0.933 10 10 DCCE CCN1OC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O 787730814 NZVALPVDTRYXGJ-OAHLLOKOSA-N 305.378 0.980 10 10 DCCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)CC(N)=O)C2)cc1C 1690330657 NLKDYSHNYKKQTC-BETUJISGSA-N 305.378 0.616 10 10 DCCE O=C1NCCN[C@H]1c1cc(I)ccc1O 1951855862 NWJGUTUERDFFBC-VIFPVBQESA-N 318.114 0.757 10 10 DCCE C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(O)ccc1O 400167536 JFPAJWZUWOPWAG-VHSXEESVSA-N 300.380 0.782 10 10 DCCE CC[C@H](CNS(=O)(=O)CCOc1ccc(N)cc1)OC 313407480 UYUGFWZBTSLBEE-GFCCVEGCSA-N 302.396 0.992 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@@](C)(O)C(F)(F)F)c2n1 2064326634 BBCCBIYTMQJSPR-LLVKDONJSA-N 318.255 0.786 10 10 DCCE CN(c1ccc(CO)c(Br)c1)[C@H]1CC(=O)NC1=O 2051507132 UQGJAIVMEFHAMX-JTQLQIEISA-N 313.151 0.793 10 10 DCCE CN1C(=O)C(=Cc2cnc(N(C)C)nc2)C(=O)N(C)C1=S 1152902 OQSGUEYALUGLAF-UHFFFAOYSA-N 305.363 0.141 10 10 DCCE CO[C@@]1(C)C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 694459889 XQYJIZOZGZCLKW-STQMWFEESA-N 300.380 0.744 10 10 DCCE COc1cc(S(=O)(=O)NCc2cc(N)ccc2O)sn1 717751968 OCRVMFGVMOPFPW-UHFFFAOYSA-N 315.376 0.918 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CNCCO3)C2)cc1 852843676 DTHWIKMBVIWXTL-SWLSCSKDSA-N 305.378 0.379 10 10 DCCE O=C1COC[C@]2(CN[C@H]3CCc4cccc(O)c43)COCCN12 866552890 CTGVFCRNZLYNRW-GUYCJALGSA-N 318.373 0.597 10 10 DCCE CN(C)[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331957756 BEGFIRJVAKTURY-CYBMUJFWSA-N 317.389 0.787 10 10 DCCE COC(=O)N(C)CCN(C)Cc1cc2c(cc1O)OC[C@H]2O 1333722219 OINYSEGTWRDFHB-CYBMUJFWSA-N 310.350 0.948 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCc2c(O)ncnc2C1 1625147438 CVTUXQACINFRKP-UHFFFAOYSA-N 301.302 0.721 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Cl)c1 2146330263 WTPDJXMAVNWPDK-FZQKWOKYSA-N 300.786 0.918 10 10 DCCE COc1ccc(N2CCN(S(=O)(=O)[C@H](C)CN)CC2)cc1 88471856 JNJWRXZUUXVCQN-GFCCVEGCSA-N 313.423 0.494 10 10 DCCE C[S@](=O)CC[S@](=O)CCC(=O)Nc1ccc(N)cc1 320016521 UJWMSNBVUROUBI-RBUKOAKNSA-N 302.421 0.725 10 10 DCCE CN1C(=O)C(=Cc2ccc([N+](=O)[O-])c(O)c2)C(=O)N(C)C1=O 748146797 AQFSTJDMSPFNBI-UHFFFAOYSA-N 305.246 0.734 10 10 DCCE CCN(CC)c1ccc(CN(C)C(=O)CCNC(=O)CO)cc1 905457653 WIYWDEMCVGCIPM-UHFFFAOYSA-N 321.421 0.990 10 10 DCCE O=C1NC(=O)[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 930640867 PKYHOXHVBIXRLC-GASCZTMLSA-N 315.373 0.228 10 10 DCCE O=C(NCc1ccccc1O)N[C@@H]1CCc2nnnn2CC1 1470562462 LEAQGRVKFVJANB-LLVKDONJSA-N 302.338 0.583 10 10 DCCE C[C@@H](O)c1ccc(N2CC(O)(C(N)=O)C2)cc1Br 1915235273 ALJSTNLCAACWNT-SSDOTTSWSA-N 315.167 0.539 10 10 DCCE CC(=O)C(=O)[C@]1(O)CN(Cc2ccccc2)[C@@]2(CCOC2)C1 1934840583 ABCBZAKVXKIFFZ-DLBZAZTESA-N 303.358 0.941 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](N4CCC4)C3)c2n1 2065109779 ZHKKKHCJNWBEOO-NSHDSACASA-N 301.350 0.664 10 10 DCCE O=S1(=O)C[C@@H]2NCCN(Cc3cc(F)ccc3O)[C@H]2C1 2143712509 KWWVSGKUVUVGDT-RYUDHWBXSA-N 300.355 0.102 10 10 DCCE O=C(CS(=O)(=O)C1CCOCC1)c1ccc(O)c(O)c1 2145894414 SVHPWRGATHWIQZ-UHFFFAOYSA-N 300.332 0.874 10 10 DCCE CN(c1ccc(CO)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 2188573912 LQSARCNKKLKGQR-LLVKDONJSA-N 300.336 0.710 10 10 DCCE O=C(NCCCS(=O)(=O)C(F)F)c1ccc(O)c(O)c1 2237648749 RTBQXRRWYQTRRZ-UHFFFAOYSA-N 309.290 0.855 10 10 DCCE COc1ccc([C@H](C)NCCS(=O)(=O)CCO)c(O)c1 2360921826 RRGJFQILMGRKIA-JTQLQIEISA-N 303.380 0.459 10 10 DCCE CS(=O)(=O)CCS(=O)(=O)Nc1ccc(O)c(Cl)c1 85204672 ARVFUMBENXFJCY-UHFFFAOYSA-N 313.784 0.832 10 10 DCCE O=C(c1cc(O)nc(O)c1)N1CCC[C@@H](Oc2cnccn2)C1 238825437 DQDOHLBFBYKLHF-LLVKDONJSA-N 316.317 0.966 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCCOCC1 588550315 ZLVWVFKMHZDDHI-HYXAFXHYSA-N 306.362 0.950 10 10 DCCE CCN(C[C@H](C)O)S(=O)(=O)CCOc1ccc(N)cc1 691425967 VKMWVYJNNJVDHL-NSHDSACASA-N 302.396 0.680 10 10 DCCE O[C@@H](CNCc1ccc(N2CCOCC2)cc1)Cn1cccn1 818972975 KAKSEGAQURXQEW-KRWDZBQOSA-N 316.405 0.870 10 10 DCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(=O)NC 819696986 KDGPCLCAYFXFMS-UHFFFAOYSA-N 308.334 0.420 10 10 DCCE Cc1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)c(O)c1O 1596916726 MEUJATIHGCGDME-UHFFFAOYSA-N 316.379 0.464 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C[C@H](CO)C2)c1 1645174223 HPATXBXJEXDBCT-CZMCAQCFSA-N 314.363 0.264 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)CC(C)(C)O)cc1C 1717764029 JAMCZMUCTKYVMY-CQSZACIVSA-N 324.421 0.731 10 10 DCCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cn[nH]c2)cc1C 1732635287 ZJHPHHNFPFBHHW-CQSZACIVSA-N 318.377 0.607 10 10 DCCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CC(=O)NC1=O 2051507905 CIHQJUYYUSEGDO-SNVBAGLBSA-N 312.167 0.759 10 10 DCCE CS(=O)(=O)C[C@H]1CN(Cc2cc(N)ccc2O)CCO1 2143669667 IOTPDJPQOJFDSC-GFCCVEGCSA-N 300.380 0.220 10 10 DCCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)CCO2)cc1O 2146454604 LIZCVBQKNMXORZ-SNVBAGLBSA-N 300.380 0.839 10 10 DCCE CCS(=O)(=O)CCN(C)S(=O)(=O)Cc1ccc(N)cc1 2170437734 ROWQHHPFNIUDIU-UHFFFAOYSA-N 320.436 0.465 10 10 DCCE C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2182277716 YINDBDRDGDMPQJ-ZWKOPEQDSA-N 300.380 0.336 10 10 DCCE CC(C)[C@H](N)CNS(=O)(=O)CCOc1ccc(N)cc1 2191636375 DCZVQMAHFBGCAK-CYBMUJFWSA-N 301.412 0.550 10 10 DCCE O=C(O)[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1c(O)cccc1Cl 2201090880 LASKFGVHUNKDRE-WOPDTQHZSA-N 301.726 0.426 10 10 DCCE CN(C)S(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 240716386 ANXGBBORHAPCAF-UHFFFAOYSA-N 313.379 0.344 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC(=O)NC1=O 264800019 YVQKZYTVPPUMLB-UHFFFAOYSA-N 304.350 0.263 10 10 DCCE CCOC(=O)c1cnn2c(C(=O)OCC(=O)C(C)=O)ccnc12 808532554 BDROCDZTNUGIFD-UHFFFAOYSA-N 319.273 0.221 10 10 DCCE O=C1NCC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)O1 817417512 IPBSSDHICSPQKN-UHFFFAOYSA-N 303.362 0.817 10 10 DCCE Oc1cc2c(cc1CN1CC[C@@H](Cn3ccnn3)C1)[C@H](O)CO2 853526088 VIVWJLTZXJMDDD-IAQYHMDHSA-N 316.361 0.932 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O 799106284 ASBMZCSAMWQTMH-HNNXBMFYSA-N 317.389 0.760 10 10 DCCE CN(C)C1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1149004644 PIWCEYNINACCSJ-UHFFFAOYSA-N 321.421 0.783 10 10 DCCE CCN(CC)S(=O)(=O)CC(=O)NCc1cccc(O)c1O 1303193580 OPMDUJXBSAWSMC-UHFFFAOYSA-N 316.379 0.386 10 10 DCCE CO[C@]1(CNCc2cccc(F)c2O)CCS(=O)(=O)C1 721254331 JINMFCOGNORVTR-ZDUSSCGKSA-N 303.355 0.825 10 10 DCCE COc1cccc(CNC[C@H]2CCS(=O)(=O)N2C)c1O 1967745417 AEQIEMLJCPVFCK-LLVKDONJSA-N 300.380 0.524 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3cc(F)ccc3O)[C@H]2C1 2143712507 KWWVSGKUVUVGDT-NEPJUHHUSA-N 300.355 0.102 10 10 DCCE CSc1ncc(CNC(=O)NC(C)(C)[C@@H](O)C(=O)O)s1 2284557810 SHLRXVZIKPTYRJ-ZETCQYMHSA-N 319.408 0.888 10 10 DCCE Cc1cc(NS(=O)(=O)CCS(C)(=O)=O)cc(C)c1O 2340879644 AWNHWZORSXUNJD-UHFFFAOYSA-N 307.393 0.795 10 10 DCCE Cc1nc(NC(=O)c2cc(O)cs2)c(C(=O)NCCO)n1C 834407468 TYWQCMCSDRLXJB-UHFFFAOYSA-N 324.362 0.470 10 10 DCCE CC(=O)N1CCO[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 934939926 YOVFFZDQKPHCII-CQSZACIVSA-N 308.334 0.004 10 10 DCCE CCc1noc(COCC(=O)NCCc2ccc(O)c(O)c2)n1 1137464583 GSYBIPGTTARYAZ-UHFFFAOYSA-N 321.333 0.919 10 10 DCCE C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccccc1O 1151886094 UWCSMOPQRXXSNM-PWSUYJOCSA-N 305.334 0.433 10 10 DCCE Cc1cc(C(=O)N2CC(CO)(CO)C2)c(C)n1-c1ccccn1 1177498290 DZMGZTBETXPAOA-UHFFFAOYSA-N 315.373 0.916 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2cc[nH]n2)c1 1455325823 NPQDLYUIGVWWRN-UHFFFAOYSA-N 324.362 0.459 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1 1465981154 BWDCGPMXKQEYAK-LLVKDONJSA-N 320.349 0.433 10 10 DCCE Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c(O)c1O 1558159365 ZPLXWVIFQYFKAV-NWDGAFQWSA-N 306.362 0.687 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@@]3(O)CCOC3)CC2)cc1 1627619308 PCKZHXFJVLTGOR-QGZVFWFLSA-N 320.389 0.932 10 10 DCCE NC(=O)CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1637549898 QPMIGGVOYXYEHW-UHFFFAOYSA-N 313.304 0.293 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1636061159 HPCMGDNWSKBXIH-AQUOVQTQSA-N 308.334 0.611 10 10 DCCE O=C(O)CCN1C(=O)/C(=C\N2CCOCC2)SC1=S 11765445 CRCGBJDTAOVPEC-BQYQJAHWSA-N 302.377 0.495 10 10 DCCE CN[C@H](C)c1ccc(N2CC(NS(C)(=O)=O)C2)c(F)c1 705527350 LRRXJQMRQUAKLO-SECBINFHSA-N 301.387 0.844 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1cc(F)cc(F)c1O 2207457282 HGFRPDHOKLUKCZ-QWRGUYRKSA-N 307.318 0.572 10 10 DCCE O=S1(=O)CCC[C@H](NCc2ccc(O)c(O)c2O)CC1 694718929 GPPNCMZFYWVBMZ-JTQLQIEISA-N 301.364 0.860 10 10 DCCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1(=O)=O 707498044 UPOGVIQUUBCPME-JTQLQIEISA-N 318.420 0.218 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCSC[C@@H]2CCO)cc1 708586335 PHQRGCMMKNBKGO-ZDUSSCGKSA-N 316.448 0.898 10 10 DCCE COc1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c(O)c1 795357458 QAIZPLRKXDGAMO-TVQRCGJNSA-N 301.364 0.998 10 10 DCCE O=C(NCc1ncc2c(n1)CCOC2)c1cccc(O)c1O 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10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CC(C2CS(=O)(=O)C2)C1 1118769963 HTEGABCTISCHBA-UHFFFAOYSA-N 315.322 0.354 10 10 DCCE C[C@@H](NCC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 775262076 XFAMHDZFGLGTNF-LLVKDONJSA-N 306.366 0.369 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H]2CCO)cc1 694962316 LPCITHIMRCYFJP-ZDUSSCGKSA-N 300.380 0.182 10 10 DCCE COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)c(O)c1 697269450 ICLHXCGBXYEJOV-WCQYABFASA-N 301.364 0.302 10 10 DCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]2N1 1446079042 WNEBQLAKFNMGDG-NWDGAFQWSA-N 304.346 0.910 10 10 DCCE COC(=O)c1ccn(CC(=O)NCc2ccc(O)c(O)c2)n1 1545639308 KFUQIENDHDCIOE-UHFFFAOYSA-N 305.290 0.397 10 10 DCCE CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1618753223 RALRTUXRTFLFNU-MRXNPFEDSA-N 308.378 0.555 10 10 DCCE C[C@H](CNCCO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1714877008 JJTXENWOZLEUJI-SNVBAGLBSA-N 307.354 0.891 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 1998331588 RVOBBZMMQHJDJV-AOOOYVTPSA-N 301.184 0.840 10 10 DCCE CO[C@@H](C)[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 2161332560 WYEGLNNTXYLUPJ-QWRGUYRKSA-N 302.396 0.990 10 10 DCCE N[S@](=O)(=N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 2173781807 YVNXNVPZFLCTCO-YBYGRFCBSA-N 300.336 0.598 10 10 DCCE Nc1ccc(CS(=O)(=O)NCC2(F)CC(CO)C2)cc1 2168694141 VNYDVNLFLFGVFZ-UHFFFAOYSA-N 302.371 0.799 10 10 DCCE COC(=O)[C@@H](C)CS(=O)(=O)NCc1cc(N)ccc1O 2183508183 QOHDIEWLNSPYJJ-QMMMGPOBSA-N 302.352 0.203 10 10 DCCE CNCCCN(C)S(=O)(=O)CCOc1ccc(N)cc1 2191536087 MOCFCDYQFFUJAB-UHFFFAOYSA-N 301.412 0.519 10 10 DCCE OCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Br 2084799615 VIDGIOOOMUMNGU-SRVKXCTJSA-N 320.158 0.821 10 10 DCCE C[S@](=O)CCC[S@@](=O)CC(=O)c1ccc(O)c(O)c1 2089654114 OGNYFOLDFXQGJK-RBUKOAKNSA-N 304.389 0.798 10 10 DCCE CCS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)C(C)=O)c1 808516684 KFGMGPFQYRMHID-UHFFFAOYSA-N 316.306 0.934 10 10 DCCE O=C(O)/C=C/c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 844208949 BYMLZXNZPKSVCH-MYOSGWKKSA-N 308.290 0.482 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(O)CCOC3)C2)cc1 855227582 YDNWATAQIRBODO-WBMJQRKESA-N 306.362 0.542 10 10 DCCE CNS(=O)(=O)CC(=O)NCc1c(O)ccc2ccccc12 1472084741 CQUWQKZMQROKHN-UHFFFAOYSA-N 308.359 0.711 10 10 DCCE Cn1ncnc1C1(O)CCN(C(=O)c2cc(O)cs2)CC1 1521873851 BDPBCEPEYXRCFU-UHFFFAOYSA-N 308.363 0.706 10 10 DCCE COc1ccc(CN[C@H]2C[C@@H](CNC(=O)C(N)=O)C2)cc1C 1565850459 LSLJPVXZMNIWMO-BETUJISGSA-N 305.378 0.473 10 10 DCCE C[C@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1O 2151048984 CFKORZVMOOVVJI-JTQLQIEISA-N 302.396 0.773 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CC[C@H](O)C2)ccc1O 2236169243 XBMSQOMXOTUVPN-QMMMGPOBSA-N 303.296 0.024 10 10 DCCE CN(C)S(=O)(=O)CCCNC(=O)c1cccc(O)c1O 2367667863 ZDOHDQPMMKUSGW-UHFFFAOYSA-N 302.352 0.109 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H](CO)C2)cc1 70490664 FZCRUSZIGDXAOM-GFCCVEGCSA-N 314.407 0.682 10 10 DCCE C[C@H](CS(=O)(=O)NCCc1ccc(O)c(O)c1)C(N)=S 2166355841 PIHLMMSOQYWBBO-MRVPVSSYSA-N 318.420 0.482 10 10 DCCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCN)cc1 722219755 OITBENOMRWAQJJ-UHFFFAOYSA-N 321.424 0.539 10 10 DCCE COc1cccc(CNC(=O)[C@@]2(C)CCCS2(=O)=O)c1O 907060128 KUCGBCVRGQLBRU-CQSZACIVSA-N 313.375 0.984 10 10 DCCE CN(Cc1ccccc1O)C(=O)CN1C(=O)NC(=O)C1(C)C 735849505 KHXYLMWIDPZXLX-UHFFFAOYSA-N 305.334 0.681 10 10 DCCE COCC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1441469592 SOTCMEQWJGNSGA-UHFFFAOYSA-N 322.361 0.394 10 10 DCCE COc1cccc(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c1O 1294938084 VGHPKUJTDOBCIO-YPMHNXCESA-N 322.361 0.830 10 10 DCCE COC(=O)C1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1545841747 XYQBQHAHPZJETO-UHFFFAOYSA-N 309.318 0.167 10 10 DCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1643100705 HXJLRJCYJTUDKY-UHFFFAOYSA-N 316.379 0.432 10 10 DCCE Cc1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)c(O)c1O 1586803854 COZWJWTXIUQQTR-VIFPVBQESA-N 305.294 0.133 10 10 DCCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C1(O)CNC1 1952206119 GWMHJFDSSNHRID-ZDUSSCGKSA-N 324.377 0.868 10 10 DCCE Nc1ccc(CNS(=O)(=O)c2scnc2C(=O)O)cc1 2162460128 IUADAEMJGOXYTN-UHFFFAOYSA-N 313.360 0.902 10 10 DCCE C[S@](=O)(CCN)=NS(=O)(=O)CCOc1ccc(N)cc1 2191535964 NXWXISLRUREYAS-IBGZPJMESA-N 321.424 0.034 10 10 DCCE O=C1c2cccc(O)c2C(=O)c2c(O)cc(CNCCO)cc21 6093802 IWDADNGAROBMPB-UHFFFAOYSA-N 313.309 0.955 10 10 DCCE O=C(c1ccc(O)c(O)c1)N1CCN(c2ncccn2)CC1 244224938 WCAYXTIOSDZOKN-UHFFFAOYSA-N 300.318 0.850 10 10 DCCE COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)C(C)=O)c1 808494779 IMBVWHVHTUSMTF-UHFFFAOYSA-N 323.301 0.135 10 10 DCCE COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)N1CCC1 830156330 SFCLSEDDNASQMW-UHFFFAOYSA-N 304.299 0.680 10 10 DCCE CCOC(=O)c1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)n[nH]1 843264255 HFPYEPBZJRZPGQ-UHFFFAOYSA-N 306.278 0.020 10 10 DCCE COc1cccc([C@@H](C)NC[C@H](O)CS(C)(=O)=O)c1O 927026002 JGVFWNXRIYGGAF-ZJUUUORDSA-N 303.380 0.457 10 10 DCCE O=C(CN1CCCCC(=O)C1=O)NCCc1ccc(O)c(O)c1 1622753113 HOQDWXBKJMENKM-UHFFFAOYSA-N 320.345 0.338 10 10 DCCE CNC(=O)N[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1632532739 HATJIBIJZSITBR-USEMIUTHSA-N 305.334 0.641 10 10 DCCE NC(=O)c1nccnc1C(=O)NCc1cc(Cl)ccc1O 1640920404 QCHOREFTZSCBSO-UHFFFAOYSA-N 306.709 0.865 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)Cc1nnc2n1CCNC2=O 1644474731 KQCWNZMIGARXQT-UHFFFAOYSA-N 314.393 0.720 10 10 DCCE Nc1ccc(OC[C@@H](O)CN=S2(=O)CCOCC2)cc1 1913485633 FIBSFLZMOFAOLN-LBPRGKRZSA-N 300.380 0.507 10 10 DCCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=CBr 1925891622 KGCLTLLVDHSTCN-VIFPVBQESA-N 315.167 0.992 10 10 DCCE COC(=O)[C@@](C)(C[C@H]1CCCS1(=O)=O)NCCN=[N+]=[N-] 2156786739 OCNJNVIAMXIBFV-MWLCHTKSSA-N 304.372 0.785 10 10 DCCE C[C@H](F)CS(=O)(=O)N(CC(N)=O)Cc1ccc(N)cc1 2177554047 MZDGAMBFNCYJRW-VIFPVBQESA-N 303.359 0.244 10 10 DCCE CC1(O)CCN(S(=O)(=O)CCOc2ccc(N)cc2)CC1 160365724 YAVMTFIUDYMOEW-UHFFFAOYSA-N 314.407 0.824 10 10 DCCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CNC(=O)C1 194861551 CLBCSINDOZCEPK-AWEZNQCLSA-N 317.389 0.618 10 10 DCCE O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(O)c1O 370506281 BCNRFGYLYUDTNS-LBPRGKRZSA-N 320.345 0.608 10 10 DCCE CN(C)CCN1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1593873724 YLRJGQYDFSDMMV-LBPRGKRZSA-N 321.377 0.124 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](CC)CO)nc12 1654809964 KAIMSPMSJIWECG-VIFPVBQESA-N 308.338 0.472 10 10 DCCE CCN(c1ccc(N)cc1)S(=O)(=O)C1CS(=O)(=O)C1 1917943992 AOTMAHSQBJHADX-UHFFFAOYSA-N 304.393 0.222 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)cc1Cl 2146328488 GOQIJPPFSJUJCX-IIMNLJJBSA-N 300.786 0.918 10 10 DCCE COc1ccc(CN(C)CCS(=O)(=O)N(C)C)c(O)c1 2151047976 SKWHARPPYJGZAL-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE C[C@H](c1noc(-c2cc(O)c(O)c(O)c2)n1)S(C)(=O)=O 2188920847 YVFPVTPMOYFWPQ-RXMQYKEDSA-N 300.292 0.959 10 10 DCCE COC(=O)CCCN(C)S(=O)(=O)Cc1ccc(N)cc1 42270436 QVJPEZJNNZIDJQ-UHFFFAOYSA-N 300.380 0.984 10 10 DCCE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 49063503 VTTDXIFKLQJLPX-ZCFIWIBFSA-N 303.292 0.394 10 10 DCCE COc1ccc(N2CCN(C(=O)NCCNC(C)=O)CC2)cc1 53526798 TZAZXSWQGOPDPK-UHFFFAOYSA-N 320.393 0.663 10 10 DCCE COc1ccc(CNC(=O)N[C@@H](C)Cn2cncn2)c(O)c1 792903258 GULAXNJQJQWDID-JTQLQIEISA-N 305.338 0.880 10 10 DCCE CC(=O)c1cc(F)cc(CN(C)CC(=O)N2CCNCC2)c1O 843347098 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DCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1 854198095 CYSSKCLNSGEZTF-CQSZACIVSA-N 303.362 0.480 10 10 DCCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCOCC2)cc1 864984473 TYFKHHUYPJNGCN-UHFFFAOYSA-N 316.365 0.285 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)C1(N2CCOCC2)CC1 866757486 WDKPXWLRHZUAPN-UHFFFAOYSA-N 306.362 0.621 10 10 DCCE C/C=C/[C@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138054978 LSEKCZUKWDGRHX-JZLDWQBISA-N 323.345 0.625 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H](N(C)C)C1 1326861764 MYPHMRLLSSJGMD-XBXGTLAGSA-N 319.405 0.807 10 10 DCCE C[C@@]1(O)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1351906020 GKPSZQMHPFFCSP-QGZVFWFLSA-N 318.373 0.998 10 10 DCCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1OC 1466674336 QRYTUBUECAXGMO-UHIISALHSA-N 323.345 0.723 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCC1CCS(=O)(=O)CC1 1632294653 REVXBCCVGOOWPG-UHFFFAOYSA-N 313.375 0.581 10 10 DCCE Cc1nc(O)nc(O)c1CCC(=O)NCc1ccc(O)cc1O 1638352239 NIZLAIVZNDQZFI-UHFFFAOYSA-N 319.317 0.856 10 10 DCCE 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322.321 0.500 10 10 DCCE CN(C(=O)CN1CC[C@H](N=[N+]=[N-])C1)[C@@H]1CCS(=O)(=O)C1 1912170065 RXXAHHHFAUDBES-VHSXEESVSA-N 301.372 0.017 10 10 DCCE COc1ccc([C@H](C)NC[C@@H]2CCS(=O)(=O)N2)c(O)c1 2146201021 PUJMVEUPYLXEAI-UWVGGRQHSA-N 300.380 0.743 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 2062795534 FSMDDLHYKSEMMC-GXFFZTMASA-N 311.359 0.286 10 10 DCCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CCNC2)s1 2256941065 DQPNRRCLXFSGFN-MRVPVSSYSA-N 307.466 0.894 10 10 DCCE COC(=O)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 71029001 MVQCRULCMDNWPF-UHFFFAOYSA-N 302.352 0.082 10 10 DCCE CCS(=O)(=O)N1CC(CNCc2ccc3c(c2)CCO3)C1 190286611 IVGNPRQYAYWEMF-UHFFFAOYSA-N 310.419 0.993 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(O)CCOC3)C2)cc1 855227579 YDNWATAQIRBODO-BLLLJJGKSA-N 306.362 0.542 10 10 DCCE COc1cc(Cl)cc(CN2CC(O)(c3ncnn3C)C2)c1O 895618190 DAELOQHZUAUNBW-UHFFFAOYSA-N 324.768 0.886 10 10 DCCE CN1CCN(CCCCNC(=O)Cc2ccc(O)c(O)c2)CC1 1464071507 DQLPFKSFDZHAJK-UHFFFAOYSA-N 321.421 0.784 10 10 DCCE CCN(C(=O)CN(C)CCN=[N+]=[N-])[C@@H]1CCS(=O)(=O)C1 1912186331 CJLDPJIPLNRCFG-SNVBAGLBSA-N 303.388 0.264 10 10 DCCE OCC(CO)(CO)CNCc1cccc(Br)c1O 2059279959 KZSPKDGTUMWLEJ-UHFFFAOYSA-N 320.183 0.208 10 10 DCCE CN(CCS(=O)(=O)N(C)C)Cc1ccc(F)c(F)c1O 2151048607 YYFNMEIIELQRJK-UHFFFAOYSA-N 308.350 0.994 10 10 DCCE CNC[C@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 2191777969 FPABXNLAKDLMBI-NSHDSACASA-N 301.412 0.517 10 10 DCCE CC(C)N(CC(N)=O)S(=O)(=O)CCOc1ccc(N)cc1 70490645 NEYHFAWKIVZZIZ-UHFFFAOYSA-N 315.395 0.173 10 10 DCCE COc1ccc(N2CCN(c3ncnc(NN)c3N)CC2)cc1 40727807 LFGODWHLQHZGBM-UHFFFAOYSA-N 315.381 0.680 10 10 DCCE COc1ccc(CN(C)C[C@@H](O)CN2CCOCC2)c(O)c1 93584099 KQDIJLSSNDFWPT-CQSZACIVSA-N 310.394 0.526 10 10 DCCE COCCOCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 274825441 SPWQASAGLJXWKC-UHFFFAOYSA-N 320.323 0.705 10 10 DCCE CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN=[N+]=[N-])o1 701300965 KTULTVLBVIHMBQ-UHFFFAOYSA-N 301.328 0.960 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)cc1C 1317237384 YCRVGRVLFZXXEA-AAEUAGOBSA-N 321.377 0.706 10 10 DCCE CCOc1ccc(N2CCN(C(=O)[C@H]3COC(=O)N3)CC2)cc1 1333112411 VNXRROBOANDGPB-CQSZACIVSA-N 319.361 0.842 10 10 DCCE C[C@H](CCO)CNS(=O)(=O)CCOc1ccc(N)cc1 97435865 CJSPVCJYZGFPSY-LLVKDONJSA-N 302.396 0.586 10 10 DCCE CCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccc(O)c1O 1633515610 ILRRVFPDOOWHPS-QMMMGPOBSA-N 302.352 0.042 10 10 DCCE O=C(c1cccc(O)c1O)N1CCN(Cc2cn[nH]c2)CC1 1570479403 WVOXYMRIORKVFR-UHFFFAOYSA-N 302.334 0.779 10 10 DCCE O=C(NCc1ccccc1O)NCc1nnc2c(=O)[nH]ccn12 1687639213 XYJZOYUYDJLJJE-UHFFFAOYSA-N 314.305 0.123 10 10 DCCE CC(C)[C@@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 124193952 WHWYIGCBTRBGAE-ZDUSSCGKSA-N 302.396 0.584 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701322807 FTYWKBVYBMMRKC-UWVGGRQHSA-N 301.372 0.712 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCn4cncc4C3)c2n1 2064221670 MESBKCIPIRKDJJ-SNVBAGLBSA-N 312.333 0.685 10 10 DCCE CC(C)(C)S(=O)(=O)C[C@@](C)(NCCCN=[N+]=[N-])C(N)=O 2170538609 MDUAVJCOIZRQJS-LLVKDONJSA-N 305.404 0.734 10 10 DCCE Cc1cccc(CNS(=O)(=O)N2CCC[C@@H]2CO)c1O 2204623567 RJDBPYIEXRVFAS-GFCCVEGCSA-N 300.380 0.492 10 10 DCCE Cc1ccc(CN=c2nnc(=N)[nH][nH]2)c(O)c1Br 2327586143 KIZPLNPISYAFGF-UHFFFAOYSA-N 311.143 0.490 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@@H](C)NC(N)=O)CC2)cc1 102382059 NEISJQWQNGLIDQ-LLVKDONJSA-N 320.393 0.837 10 10 DCCE C[C@H](O)CCN(C)S(=O)(=O)CCOc1ccc(N)cc1 135516373 BALZZOKOCISZDA-NSHDSACASA-N 302.396 0.680 10 10 DCCE CN(C)C(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169902584 OLVZFHPDVSCEMZ-UHFFFAOYSA-N 309.322 0.243 10 10 DCCE CC(=O)C(=O)COC(=O)CS(=O)(=O)NC1CCC(C)CC1 808516492 KNKCYABQEPAERZ-UHFFFAOYSA-N 319.379 0.186 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C 838235064 GHNNETMBWVJOIN-VIFPVBQESA-N 317.363 0.998 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCOC3(CNC3)C2)cc1 841654771 PIUKCSODBBSAFZ-UHFFFAOYSA-N 304.394 0.636 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(CO)(CO)C1 853748439 FZLFJQCZIRUPDH-UHFFFAOYSA-N 321.421 0.947 10 10 DCCE O=C1NCC2(CCOCC2)[C@H]1NCc1cc2c(cc1O)OCO2 895774165 WJPJOSBMMIWCNB-AWEZNQCLSA-N 320.345 0.506 10 10 DCCE CN(C)c1ccc(CN2C(=O)N[C@H](CC3OCCO3)C2=O)cc1 924444273 GOQALSPLQSFWCQ-CYBMUJFWSA-N 319.361 0.936 10 10 DCCE COC(=O)[C@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)c(C)c1 1198429932 PGZNRUMVFYWBTM-OAHLLOKOSA-N 319.405 0.877 10 10 DCCE CC1(C)NC(=O)N(CC(=O)N2Cc3cccc(O)c3C2)C1=O 1329603113 UVOWDNJDNNUGCG-UHFFFAOYSA-N 303.318 0.565 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCS(=O)(=O)C1 1466790856 MHUNAZBXFJKTPT-SECBINFHSA-N 311.359 0.500 10 10 DCCE C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCS1(=O)=O 1622753104 HJSFHJVBZDRNMZ-AWEZNQCLSA-N 313.375 0.724 10 10 DCCE CC(C)(C)n1nnc(CC(=O)NCc2ccc(O)cc2O)n1 1643103983 KHPZQUBRQRSXDT-UHFFFAOYSA-N 305.338 0.698 10 10 DCCE NCc1ccc(N2CC[C@@H]2[C@H](O)CO)c(F)c1Br 2258335595 UTXXMCVBYBDCTC-PSASIEDQSA-N 319.174 0.979 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCNCC2(F)F)cc1 2279116887 BQRDNHZPKLDSCI-LLVKDONJSA-N 305.350 0.685 10 10 DCCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H](O)CO 1951698571 PNWMLPSLNODOIC-MFKMUULPSA-N 313.350 0.887 10 10 DCCE NC(=O)[C@H]1OCC[C@H]1NCc1c(O)cccc1Br 2053776752 IAPVFFIUFCHNFS-KOLCDFICSA-N 315.167 0.887 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCN(C(=O)C4CC4)C3)c2n1 2064749091 JOWMMKWBZXNORP-UHFFFAOYSA-N 315.333 0.395 10 10 DCCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1cncc(Br)c1 2067763795 QWRKJHNUSAZUNP-GHMZBOCLSA-N 312.167 0.825 10 10 DCCE C[S@@](=O)(CCCCN)=NC(=O)c1cc(O)c(O)c(O)c1 2188922394 GMBZUYHHCGYTTI-HXUWFJFHSA-N 302.352 0.780 10 10 DCCE C[C@@H]([C@@H](C)NC(=O)c1cc(O)c(O)c(O)c1)S(C)(=O)=O 2188923303 KNYNPRPVNCWEGS-RQJHMYQMSA-N 303.336 0.355 10 10 DCCE COc1cccc(CNCCCS(=O)(=O)N(C)C)c1O 2367613245 DBLNCZZLMNAVPP-UHFFFAOYSA-N 302.396 0.772 10 10 DCCE CCCN(CC(=O)NCCNC(C)=O)Cc1ccccc1O 69009856 VVIBBHBAGKUASF-UHFFFAOYSA-N 307.394 0.857 10 10 DCCE COC(=O)C(F)(F)[C@H](NC(=N)N)c1cc([N+](=O)[O-])ccc1O 575246847 RVQSXIBPXGFJCO-MRVPVSSYSA-N 318.236 0.633 10 10 DCCE COc1ccc(O)c([C@@H](C)NC[C@]2(CO)COCCN2C)c1 903280923 OIUFAPLYBPAOQK-WBMJQRKESA-N 310.394 0.745 10 10 DCCE O=C(CN1CCN(C2CC2)C1=O)NCc1ccc(O)cc1O 910944136 SCPRCGVSVJRPEZ-UHFFFAOYSA-N 305.334 0.614 10 10 DCCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCN1 843489277 LXPVDLKSJLMMMV-LLVKDONJSA-N 312.753 0.909 10 10 DCCE O=S1(=O)CCN(c2ccc(CNC3=NCCCN3)cc2)CC1 750544714 XCSXXPTYNXRTJQ-UHFFFAOYSA-N 322.434 0.360 10 10 DCCE COc1ccc(O)c([C@H](C)NC[C@@H](O)C2(O)CCOCC2)c1 930216594 LHWRBSSRFAXDAA-XHDPSFHLSA-N 311.378 0.954 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2NC(=O)NC2=O)c1 764157271 LZNRQMMJGNHHCK-XCBNKYQSSA-N 307.306 0.176 10 10 DCCE CNC(=O)NC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 895390228 KCOFUTQANVFECF-LLVKDONJSA-N 315.320 0.800 10 10 DCCE COC1CC(CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 1327517307 XHCTUAWXWVATQP-UHFFFAOYSA-N 319.405 0.859 10 10 DCCE COC(=O)[C@@]1(N2CCN(Cc3ccccc3O)CC2)CCOC1 1331794911 OEFJZWWQYCIDDW-QGZVFWFLSA-N 320.389 0.842 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCS(=O)(=O)C1 1638189722 YYIDTDALWQGTRU-LLVKDONJSA-N 313.375 0.581 10 10 DCCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C)COc1nnc(=N)[nH]n1 2210647921 SZPMDCLBQZAUSO-LKFCYVNXSA-N 324.385 0.951 10 10 DCCE CN(Cc1ccccc1O)C(=O)[C@H](N)CCS(C)(=O)=O 37823753 ROVASCNJAUCDLO-LLVKDONJSA-N 300.380 0.113 10 10 DCCE Cc1noc(CNS(=O)(=O)CCOc2ccc(N)cc2)n1 70490724 XISOBZSLSOILID-UHFFFAOYSA-N 312.351 0.459 10 10 DCCE C[S@](=O)CCC[S@](=O)CC(=O)Nc1ccc(N)cc1 320161269 MWTSJGOHKLXUAC-OALUTQOASA-N 302.421 0.725 10 10 DCCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1(=O)=O 707498045 UPOGVIQUUBCPME-SNVBAGLBSA-N 318.420 0.218 10 10 DCCE CCNCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 844190186 FLHSSSQSXRVCLJ-UHFFFAOYSA-N 320.437 0.543 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CNCCO3)C2)cc1 852843872 IVLDBPFHIDZRRC-CJNGLKHVSA-N 319.405 0.769 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(=O)n(C)c(=O)n1C 853472942 HMHMWYMPHDPXIB-VIFPVBQESA-N 305.334 0.538 10 10 DCCE O=C(NCc1c(O)ccc2c1CCCC2)c1nnc(O)nc1O 1294870294 UTABNMBXZJMIAW-UHFFFAOYSA-N 316.317 0.797 10 10 DCCE C[C@@H](NC(=O)NCc1cn(C)c(=O)nc1O)c1ccccc1O 1471624549 BYTWKMSLTVVGCD-SECBINFHSA-N 318.333 0.752 10 10 DCCE COc1ccc(-n2nnnc2CN(C)CCNC(C)=O)cc1 1567267268 UTOCIDUBNVXQOS-UHFFFAOYSA-N 304.354 0.239 10 10 DCCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)CCN1CCO 1567667431 PIQNTUXMHAEIMC-UHFFFAOYSA-N 308.378 0.555 10 10 DCCE CCN1CCN(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1627188876 RPVWXSPQXQAWGH-UHFFFAOYSA-N 307.394 0.394 10 10 DCCE CC(=O)Nc1nnc(S(=O)(=O)N(C)CCN=[N+]=[N-])s1 1912164290 VFXCONYCVVUTJC-UHFFFAOYSA-N 305.345 0.427 10 10 DCCE [N-]=[N+]=NCCCN1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 1982249410 HHIYPKAXRXKTJM-HTQZYQBOSA-N 322.291 0.541 10 10 DCCE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)Cc1ccc(N)cc1 1985852153 CCRDCUYIGGGNPB-ZDUSSCGKSA-N 323.393 0.813 10 10 DCCE CCCS(=O)(=O)CCNC(=O)COc1ccc(N)cc1 2204668840 ZMBFZZJFJDIMRE-UHFFFAOYSA-N 300.380 0.589 10 10 DCCE CCOC(=O)C1CCN(C=C2C(=O)NC(=O)N(CC)C2=O)CC1 2297358336 NCYXPOOUOQGOMC-UHFFFAOYSA-N 323.349 0.244 10 10 DCCE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 49063502 VTTDXIFKLQJLPX-LURJTMIESA-N 303.292 0.394 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2cccc(OC)c2O)CCO1 529641085 JVSAMLVOJHXENP-LBPRGKRZSA-N 309.366 0.531 10 10 DCCE C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)NC(N)=O 654847057 ZQKRZLKNQRLUNG-SNVBAGLBSA-N 306.366 0.925 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 761972064 GSOUBANRPDKQKP-QMMMGPOBSA-N 321.293 0.778 10 10 DCCE CC(=O)C(=O)COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 808516160 BZFDHXGDWHZCHA-UHFFFAOYSA-N 318.245 0.490 10 10 DCCE O=C1CC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCN1 815419797 CZJXTISESDHONU-SECBINFHSA-N 307.302 0.740 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCN(C)C3=O)C2)cc1 855227948 SEIAINDRUVTDLS-IUODEOHRSA-N 317.389 0.868 10 10 DCCE C[C@@H](CS(C)(=O)=O)NC(=O)NCc1c(O)cccc1F 918606896 KRJIABQMTPMGRV-QMMMGPOBSA-N 304.343 0.764 10 10 DCCE CN1CCN(c2ccc(CNC(=O)O[C@H]3CNOC3)cc2)CC1 924004829 BRDOMTGZKYZGDM-HNNXBMFYSA-N 320.393 0.568 10 10 DCCE C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)nc1)c1ccccc1O 1151885782 HCOATGOHXXDXIR-SECBINFHSA-N 321.358 0.926 10 10 DCCE Cc1ccc(C(=O)NCCCn2cccnc2=O)c(O)c1O 1156998372 CANMIKSLPGARQZ-UHFFFAOYSA-N 303.318 0.783 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CNC(=O)C2)c1 1478819305 JINVDVGDNPSLTJ-ZJUUUORDSA-N 307.350 0.897 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](CNCCO)C2)cc1 1700645307 FLYZDBMKABAXGZ-MJHDQNEOSA-N 319.365 0.939 10 10 DCCE COCC[S@](C)(=O)=NC[C@H](O)COc1ccc(N)cc1 1918079344 LONQCZFWIXZXFD-YUNKPMOVSA-N 302.396 0.753 10 10 DCCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 2108827980 IDGLRIKVBDXNGO-LLHIFLOGSA-N 308.161 0.644 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1CCS(=O)(=O)N1CCOCC1 2179611029 CELZODCPMQRLJO-LLVKDONJSA-N 303.388 0.423 10 10 DCCE CO[C@H]1CNC[C@H]1S(=O)(=O)NCc1cccc(C)c1O 2204624837 RAODRKKFFAGLTO-NWDGAFQWSA-N 300.380 0.107 10 10 DCCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CNCCO2)s1 2269303919 PDWJRJHXAKOPBO-QMMMGPOBSA-N 323.465 0.273 10 10 DCCE COc1ccc(N(C)CCS(=O)(=O)CCC(N)=O)cc1 2279054462 PWJKTBZBIQVEID-UHFFFAOYSA-N 300.380 0.422 10 10 DCCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3nnn[nH]3)C2=O)c1 104157897 HBRRIFDOZFGIDQ-RMKNXTFCSA-N 313.277 0.087 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@]1(O)CCCN(C)C1 907274977 SVPWRAHEFMZJOO-SJCJKPOMSA-N 322.405 0.992 10 10 DCCE CN(C)c1ccc(CNC(=O)CN(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 859958327 CAUZABFPCAYECJ-OTVXOJSOSA-N 318.421 0.565 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)CCc3nn[nH]n3)C2)cc1 869229403 WIBLTFMRYFENQZ-NSHDSACASA-N 316.365 0.536 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NCCS(=O)(=O)C1CC1 1142256058 YZPUXUUEHBGQPP-KXFIGUGUSA-N 311.359 0.804 10 10 DCCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1CO 1329436606 IGCXAEUXTKEWMK-GXFFZTMASA-N 304.346 0.464 10 10 DCCE C[C@H]1CN(C(=O)CCN2C(=O)CSC2=S)C[C@@H](C)O1 1865766033 SCTSRKJHZHOIFT-DTORHVGOSA-N 302.421 0.873 10 10 DCCE COC(=O)Cn1nnnc1Sc1ncc([N+](=O)[O-])s1 226766217 DQVOFZVQZUSWLM-UHFFFAOYSA-N 302.297 0.362 10 10 DCCE COc1cc(N)c(N2CCS(=O)(=O)C[C@H]2C)cc1OC 228720993 XNTYWSZADYRCLT-SECBINFHSA-N 300.380 0.909 10 10 DCCE C[C@@H](O)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2195316082 FTFFGHKNRQFWTC-XCBNKYQSSA-N 312.313 1.000 10 10 DCCE COC(=O)C1(NCCN=[N+]=[N-])C[C@@H]2CC[C@H](C1)S2(=O)=O 2186389876 OSIVFRLHCCKWRE-SLHIUPAKSA-N 302.356 0.538 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCN2)ccc1O 2236169111 VXQKCPFAHNCCTD-SECBINFHSA-N 301.324 0.794 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)C3)c(Br)cc21 252612842 WSGRYJGIWMWPQM-KGFZYKRKSA-N 312.167 0.972 10 10 DCCE C[C@@H](CO)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 297848698 PRHUHNBYOIWIMN-LBPRGKRZSA-N 307.394 0.550 10 10 DCCE CNS(=O)(=O)c1cc(C(=O)OCC(=O)C(C)=O)ccc1F 808524857 JUAGVNYXDQEBBM-UHFFFAOYSA-N 317.294 0.049 10 10 DCCE CCOC(=O)c1snc2c(=O)n(CC(=O)C(C)=O)cnc12 845321231 KGYWMMZTYCDNIR-UHFFFAOYSA-N 309.303 0.188 10 10 DCCE Cn1cc([C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CCN2)cn1 1631442163 YNJMRXIKXDFYDL-CYBMUJFWSA-N 316.361 0.547 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nnc(N)s1 1633818220 FJNJPNOQEYUABC-ZETCQYMHSA-N 308.363 0.821 10 10 DCCE Cc1ccc(O)c(CNC(=O)NCCCc2nnnn2C)c1 1638983212 BNGDRVVYUPLIHE-UHFFFAOYSA-N 304.354 0.656 10 10 DCCE NCC1(O)CN(Cc2cc(Br)cc(F)c2O)C1 1949093933 JQQNAZAMMMHYTP-UHFFFAOYSA-N 305.147 0.799 10 10 DCCE COC1(C(N)=O)CN(c2ccc(CN)cc2Br)C1 2042981391 SNYUVFAMPCAUCR-UHFFFAOYSA-N 314.183 0.598 10 10 DCCE COC(=O)C1CN(S(=O)(=O)Nc2ccc(O)cc2C)C1 2164310319 ZNYUNLVKZKJVIX-UHFFFAOYSA-N 300.336 0.462 10 10 DCCE CN([C@H]1C[C@@H](O)C1)S(=O)(=O)CCOc1ccc(N)cc1 2232427993 DAZMWMWMJALWCE-TXEJJXNPSA-N 300.380 0.433 10 10 DCCE OCc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2249564224 SEMBGFDAWNXXNU-VXGBXAGGSA-N 302.168 0.873 10 10 DCCE CC(C)[C@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 124193715 WHWYIGCBTRBGAE-CYBMUJFWSA-N 302.396 0.584 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(F)ccc1O 697039837 XOOBFUJTVKMYRW-AAEUAGOBSA-N 303.355 0.775 10 10 DCCE CNC(=O)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 772423727 PKFGGSHQYSPKDM-LBPRGKRZSA-N 305.378 0.837 10 10 DCCE NS(=O)(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CC1 862025878 BSNLPDDICSGIAP-UHFFFAOYSA-N 321.358 0.378 10 10 DCCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1CO 1329436603 IGCXAEUXTKEWMK-GWCFXTLKSA-N 304.346 0.464 10 10 DCCE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2cccc(O)c2O)C1 1456959238 RZHYTBKOECXOSO-KOLCDFICSA-N 324.333 0.277 10 10 DCCE NC(=O)CNC(=O)c1cccc(NC(=O)c2cc(O)cs2)c1 1629894430 ATJGIIGONCNQDF-UHFFFAOYSA-N 319.342 0.921 10 10 DCCE CC(=O)C(=O)[C@](C)(O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1919218556 VORRZEKCAZURHS-IINYFYTJSA-N 301.339 0.531 10 10 DCCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1ccc(N)cc1 1993247553 DDKKHCTYGONRAF-ZDUSSCGKSA-N 323.393 0.813 10 10 DCCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CCCN 2192588891 CSFXBTNHYPKBKQ-NSHDSACASA-N 301.412 0.910 10 10 DCCE COc1ccc(N2CCN(C[C@H](O)CO)CC2)cc1Cl 2235231848 XASKPGATBDYKGM-LBPRGKRZSA-N 300.786 0.824 10 10 DCCE C[C@@H]1COCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490622 LVTTYCJVIYITEF-LLVKDONJSA-N 300.380 0.698 10 10 DCCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)[nH]c(=O)[nH]c1=O 100947814 XYOOZBJEWZQMCK-JXMROGBWSA-N 312.285 0.575 10 10 DCCE C[C@@H]1O[C@H](C)CN(C(=O)C(=O)NCCc2ccc(N)cc2)[C@@H]1C 842238642 VILZXZSJVDDYIY-UPJWGTAASA-N 319.405 0.952 10 10 DCCE COCC(=O)NCCC(=O)NCc1ccc2cccnc2c1O 1118876891 XFDJTXSMYSQYME-UHFFFAOYSA-N 317.345 0.709 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 1171819389 CRTYRHDDBRLRBA-WXKYGPJESA-N 321.329 0.805 10 10 DCCE Cc1cc(C)n(CC(=O)NCc2c(O)cccc2O)c(=O)n1 1456315585 KFQBNDBYHZAULB-UHFFFAOYSA-N 303.318 0.588 10 10 DCCE CO[C@@H]1CN[C@H](CNCc2cnc(SC)s2)[C@H]1OC 2269313987 ACAXLFMUDQFLIX-GMTAPVOTSA-N 303.453 0.956 10 10 DCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@H](CO)C2)c(Cl)c1 2289402442 SKLVXFQNABALCG-DURYJLSESA-N 300.786 0.510 10 10 DCCE C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)[C@H]1CCS(=O)(=O)C1 252373944 WXEGMTOWEYQIGD-GWCFXTLKSA-N 311.407 0.715 10 10 DCCE CN(CCN1CCNCC1)Cc1ccc(N2CCOCC2)cc1 843052112 GIUMJLBWELSODF-UHFFFAOYSA-N 318.465 0.860 10 10 DCCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1nnc(N)n1 1557063705 WWBPFIKMXVCUHE-NSHDSACASA-N 317.397 0.377 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCn2ncnc21 1630335130 LDIKSSHEVLLWLC-NSHDSACASA-N 302.334 0.926 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CCNC2=O)CC1 1644069411 DGZFNULVYHZALG-UHFFFAOYSA-N 304.346 0.769 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)cc1C 1690560971 YROZBSJPKQUXQZ-GXTWGEPZSA-N 319.405 0.877 10 10 DCCE COC[C@@H]1[C@H](O)[C@H](O)CN1c1ccc([C@@H](C)O)cc1Cl 2233865068 FUCRGYAMBQJAGH-OJICRYGUSA-N 301.770 0.950 10 10 DCCE NCc1cc(F)c(N2CC[C@](O)(CO)[C@H](O)C2)cc1Cl 2234108064 TUSZDCOXYCEKTQ-OLZOCXBDSA-N 304.749 0.232 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2c1ccc(OCF)cc1 2295949355 IBUDGDKWQNJWSN-QWHCGFSZSA-N 300.355 0.568 10 10 DCCE O=C1N=C(N2CCN(CCO)CC2)SC1=Cc1ccncc1 2297499108 XQLJGGBKERHJIV-UHFFFAOYSA-N 318.402 0.662 10 10 DCCE CCOC(=O)CCNS(=O)(=O)CCOc1ccc(N)cc1 70490819 CVXXXAAUODNMLE-UHFFFAOYSA-N 316.379 0.520 10 10 DCCE O=C1CSC(=S)N1CCNS(=O)(=O)c1ccccc1 71558014 WBHWWPSXXYUNNF-UHFFFAOYSA-N 316.429 0.825 10 10 DCCE NC(=O)C1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 92749921 ONPXFUFAZLTJGZ-LBPRGKRZSA-N 308.769 0.994 10 10 DCCE COc1ccc(N2CCC(NC(=O)CNC(N)=O)CC2)cc1 102484488 REHOXMMHBYAFBS-UHFFFAOYSA-N 306.366 0.449 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C 808522402 FGRYHVYQWGZHAC-NSHDSACASA-N 300.355 0.810 10 10 DCCE COc1ccc(N2CCN(Cn3nc(C)n(C)c3=O)CC2)cc1 844680330 YVVQKPPZTKRBRA-UHFFFAOYSA-N 317.393 0.679 10 10 DCCE CN(C)CCCN(C)CCNC(=O)C(=O)Nc1ccc(N)cc1 850834193 CXUIBTMIYXNTJT-UHFFFAOYSA-N 321.425 0.207 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)Cn3ncnn3)C2)cc1 1123917929 ADDGMLAMCBBHOU-NSHDSACASA-N 302.338 0.077 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1c1nn[nH]n1 1150802589 GBGWOQCNENZWRA-GQPNGRKGSA-N 317.305 0.224 10 10 DCCE Cc1cc(N(C)C)ccc1CNCc1nnc2n1CCNC2=O 1262112789 SRNZKSYPXQQJGJ-UHFFFAOYSA-N 314.393 0.686 10 10 DCCE Cc1ccc(C(=O)NCC2(S(N)(=O)=O)CCC2)c(O)c1O 1471903969 IBMMVORHCXWNTE-UHFFFAOYSA-N 314.363 0.347 10 10 DCCE Oc1ccccc1CN[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](N2CCCC2)[C@H]1O 1616151043 BPXQXZATAUVMRJ-NRKLIOEPSA-N 320.389 0.431 10 10 DCCE Cc1ccc(CN[C@@H]2CC(=O)NC2=O)c(O)c1Br 2327622899 BKGJGZSRTYQMDF-MRVPVSSYSA-N 313.151 0.968 10 10 DCCE COc1ccc([C@@H](C)NCCS(=O)(=O)CCO)c(O)c1 2360921827 RRGJFQILMGRKIA-SNVBAGLBSA-N 303.380 0.459 10 10 DCCE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1N=[N+]=[N-] 34385506 WQZLKYFRGKFHEZ-AVAJSQPUSA-N 317.273 0.656 10 10 DCCE NC(=O)c1ccc(NC(=O)C[C@@H]2SC(=S)NC2=O)cc1 34926889 PRPBEFOTEQWZGV-QMMMGPOBSA-N 309.372 0.631 10 10 DCCE CN[C@@H]1C(=O)Nc2cc(N3CCNC(=O)[C@@H]3C)c(Cl)cc21 92752185 STGMOORYMWEJEC-MADCSZMMSA-N 308.769 0.877 10 10 DCCE CN(C)c1ccc(CNC(=O)c2cnc(O)n(C)c2=O)cc1F 267699466 PTUXTLSQIABZSF-UHFFFAOYSA-N 320.324 0.621 10 10 DCCE CCOC(=O)[C@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)[C@@H]1C 380356161 ZUOBIVOVEVVNSO-KOLCDFICSA-N 304.372 0.785 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CCC(N)=O)C2)cc1 854298161 XEXDLZHWWKOKNQ-GFCCVEGCSA-N 320.393 0.791 10 10 DCCE COC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1 860234742 IOKAUCKSOFFLMN-OLZOCXBDSA-N 309.318 0.477 10 10 DCCE COc1cc(OC)nc(NC=C2C(=O)OC(C)(C)OC2=O)n1 1088694927 ATQBWSKOIZTSKS-UHFFFAOYSA-N 309.278 0.626 10 10 DCCE COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1261313243 PPXRYNWCRFUQCP-GFCCVEGCSA-N 320.345 0.372 10 10 DCCE Nc1ccc(-n2nnnc2-c2nnnn2-c2ccc(N)cc2)cc1 1542989952 JQGNJPZTPBAQMZ-UHFFFAOYSA-N 320.320 0.469 10 10 DCCE CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912199678 WAIOZMXQVYXYHH-BDAKNGLRSA-N 300.388 0.935 10 10 DCCE [N-]=[N+]=NCC1CCN(CCS(=O)(=O)CCC(N)=O)CC1 1912211401 WQCSWMRNCSXJGN-UHFFFAOYSA-N 303.388 0.299 10 10 DCCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNN1CCCCC1 2297062092 LNDLUEIJJFUBFH-UHFFFAOYSA-N 318.333 0.732 10 10 DCCE CNC(=O)CN(C)c1c(F)cc(CNCCOC)cc1F 62735647 XTHQSWLOFZLVDX-UHFFFAOYSA-N 301.337 0.883 10 10 DCCE CNC(=O)Cn1cc(NC(=O)N(C)Cc2ccccc2O)cn1 179459713 QJUAUEXIEGWHEF-UHFFFAOYSA-N 317.349 0.999 10 10 DCCE CNS(=O)(=O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 759592342 GCWYABJXMGQAAH-XQRVVYSFSA-N 315.347 0.594 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@H]2CN3)cc1 844224243 HVXOWNHLIWILBA-ZBFHGGJFSA-N 302.422 0.805 10 10 DCCE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cccc(O)c1O 869990965 BIDDBEKJUSAWRX-BJOHPYRUSA-N 309.318 0.890 10 10 DCCE C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnnn1C 1460897321 AMBQVESJOHRYLR-LBPRGKRZSA-N 302.382 0.898 10 10 DCCE Cc1ccc(O)c(CNC(=O)C2(CS(C)(=O)=O)COC2)c1 1521752104 FNECTPFURNRODW-UHFFFAOYSA-N 313.375 0.378 10 10 DCCE Cc1nc(C(=O)N[C@H](C)c2ccccc2O)nn1-c1nc[nH]n1 1643738897 WJGIJRYNYGEYEH-MRVPVSSYSA-N 313.321 0.890 10 10 DCCE C[S@@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)C1CNC1 1876174589 PQTFEYCIHWBCGD-SFHVURJKSA-N 303.409 0.168 10 10 DCCE NCc1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2249555457 VLRLIKCVSKOKIH-NWDGAFQWSA-N 301.184 0.840 10 10 DCCE Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H]2O 4096941 ZEACOKJOQLAYTD-RBSFLKMASA-N 322.269 0.743 10 10 DCCE biogenic,in-vitro Nc1ccc(CS(=O)(=O)N2CCC[S@@](=O)CC2)cc1 321683751 SITJYPAETMSHQL-GOSISDBHSA-N 302.421 0.553 10 10 DCCE CN(CC[S@@](C)=O)S(=O)(=O)CCOc1ccc(N)cc1 398980593 JRPKYUIPGDJVQF-LJQANCHMSA-N 320.436 0.288 10 10 DCCE COc1ccc(O)c(CNC(=O)C(=O)Nc2nn(C)cc2C)c1 850373064 BDBNUYZBHIXZFW-UHFFFAOYSA-N 318.333 0.698 10 10 DCCE CN1CCCc2cc(CNC(=O)N[C@H]3CCNC3=O)ccc21 852411328 SJXLAMNSTJNGJL-ZDUSSCGKSA-N 302.378 0.757 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C3=NNC(=O)C3)C2)cc1 855232077 QLZXRGUZMJLLKD-JTQLQIEISA-N 302.334 0.266 10 10 DCCE CCN(CC)S(=O)(=O)CC(=O)NCc1c(O)cccc1F 928705208 HMRBGLAYOAWXSJ-UHFFFAOYSA-N 318.370 0.819 10 10 DCCE CN(C)S(=O)(=O)CCC(=O)NCc1c(O)cccc1F 928705577 LNYFOLRQDIJMDC-UHFFFAOYSA-N 304.343 0.429 10 10 DCCE O=C(C(=O)N1CC([C@H]2CCOC2)C1)N1Cc2cccc(O)c2C1 1332058960 JQBYQCCEJQFFML-LBPRGKRZSA-N 316.357 0.729 10 10 DCCE O=C(C(=O)N1CCCC[C@H]1CCO)N1Cc2cccc(O)c2C1 1335542154 IDSOSINHFCQRGE-ZDUSSCGKSA-N 318.373 0.998 10 10 DCCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)S(C)(=O)=O 1544918504 JHQHDSKEVVOGJD-UHFFFAOYSA-N 301.364 0.580 10 10 DCCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])C1CS(=O)(=O)C1 1912181618 QANCLBMVGDCBHY-LLVKDONJSA-N 304.372 0.643 10 10 DCCE NCc1ccc(N2CC(O)(C(N)=O)C2)c(F)c1Br 1915248195 BWLPYEYVIAOIIP-UHFFFAOYSA-N 318.146 0.083 10 10 DCCE COC[C@@](O)(CCCNC(=O)OC(C)(C)C)C(=O)C(C)=O 1919182988 ASNDSHHPEXIWDM-AWEZNQCLSA-N 303.355 0.827 10 10 DCCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)c(Br)c1 2042555437 MESYQWIQVGGCLI-ZJNJWXDTSA-N 313.195 0.838 10 10 DCCE CCOC(=O)[C@@]1(NCCCN=[N+]=[N-])CCCS(=O)(=O)C1 90259934 BXFDXWHMRGHMKD-LLVKDONJSA-N 304.372 0.787 10 10 DCCE CC(C)(CNS(=O)(=O)Cc1ccc(N)cc1)S(C)(=O)=O 93520985 SLDVSAHEPZFWBZ-UHFFFAOYSA-N 320.436 0.511 10 10 DCCE C[C@H]1CN(S(=O)(=O)NCCc2ccc(N)cc2)[C@@H](C)CO1 249591477 PEEDANFTPZMGCC-RYUDHWBXSA-N 313.423 0.755 10 10 DCCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1(S(C)(=O)=O)CC1 831873590 XHTVLXOONZTSFB-SSDOTTSWSA-N 317.338 0.932 10 10 DCCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2[C@@H]1CCCN2CCO 1161883450 BXIZJYNIUBIYKB-RYUDHWBXSA-N 324.352 0.908 10 10 DCCE Cn1nnc2c1C[C@H](C(=O)NCc1ccc(O)cc1O)CC2 1162277660 ANCDUPJTFIZTNY-SECBINFHSA-N 302.334 0.648 10 10 DCCE C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCN(C)CC2)c(F)c1 1261850899 BTFOTRJZPNNSIM-WBMJQRKESA-N 311.401 0.409 10 10 DCCE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1ccc(O)c(O)c1 1570632694 VXQOMSLRZPCNJF-NSHDSACASA-N 321.377 0.219 10 10 DCCE O=C(O)C1(O)CN(Cc2ccc(Br)cc2O)C1 1968201505 IDENLPCNAHTFKO-UHFFFAOYSA-N 302.124 0.786 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@@]23COC[C@@H]2C3(F)F)cc1 2161873228 ZLCOKURZSSOKAL-QWRGUYRKSA-N 304.318 0.722 10 10 DCCE COC(=O)[C@H](CNCc1cnc(SC)s1)NC(C)=O 2269121806 RTARIHVLKVETEG-VIFPVBQESA-N 303.409 0.632 10 10 DCCE Nc1ccc(OC[C@H](O)CSc2nc(N)cc(=O)[nH]2)cc1 51328571 WOPAHBRAKGXIJD-VIFPVBQESA-N 308.363 0.466 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 860407371 BLHDWMVNHOZBFF-GXSJLCMTSA-N 315.322 0.370 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC(=O)N1C 1117896430 CDLRUANEPPMKLQ-NSHDSACASA-N 319.361 0.040 10 10 DCCE COC(=O)[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329786866 MUYCCLWJYKLVEO-NSHDSACASA-N 318.329 0.256 10 10 DCCE CC(=O)C(=O)[C@](C)(O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1919218557 VORRZEKCAZURHS-QMTHXVAHSA-N 301.339 0.531 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)c2cnco2)cc1C 1482753164 HXDJQDJCXXVFBZ-ZDUSSCGKSA-N 319.361 0.872 10 10 DCCE CCC(=O)NC[C@@H](C)NCc1nnnn1-c1ccc(OC)cc1 1731574684 CAAYDENEDCFFLS-LLVKDONJSA-N 318.381 0.675 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CCOCC2)CC1 1642550014 YJBWBVIPIQEPMU-UHFFFAOYSA-N 320.389 0.964 10 10 DCCE CNC1(C(N)=O)CN(Cc2cc(Br)ccc2O)C1 2047099996 CAELPFZLSWQYEK-UHFFFAOYSA-N 314.183 0.414 10 10 DCCE CSc1ncc(CNC(=O)NC[C@@H](O)CC(=O)O)s1 2269136116 XFHRYVMAYHVVBF-LURJTMIESA-N 305.381 0.500 10 10 DCCE CC[C@H](C)N1C(=O)C(=CN[C@H]2CCCC[C@H]2N)C(=O)NC1=S 2296929547 GBHDLDQHKWFARI-WCQGTBRESA-N 324.450 0.772 10 10 DCCE Cc1nnc(CN(C)CC(=O)N(C)Cc2ccccc2O)n1C 121314465 VXTVKRQMQJLVJP-UHFFFAOYSA-N 317.393 0.920 10 10 DCCE O=C(NCc1ccccc1O)c1cnnn1C1CCNCC1 852800126 ZHGIPLMQPTZQOK-UHFFFAOYSA-N 301.350 0.838 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](NC(N)=O)C2)cc1 762926341 RLTVNYKXKHKCIJ-ZDUSSCGKSA-N 319.409 0.111 10 10 DCCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCNC2=O)cc1C 1266800123 NFKRHIBDLQBCAN-AWEZNQCLSA-N 319.405 0.688 10 10 DCCE CN1CC(CN(C)C(=O)C(=O)N(C)Cc2ccccc2O)C1 1261608664 RSQYPCKCFCHHKJ-UHFFFAOYSA-N 305.378 0.371 10 10 DCCE NS(=O)(=O)CCCCCC(=O)NCc1c(O)cccc1O 1558535616 LJZAYEQINPYOBO-UHFFFAOYSA-N 316.379 0.563 10 10 DCCE CN(C)c1ccc(CNC(=O)c2ccc3c(c2)COB3O)cc1 1587317249 WNFYDYIVILMCSM-UHFFFAOYSA-N 310.162 0.900 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)CNC(N)=O)CC2)cc1 1858159895 PKRFPSDXZBSJOR-LBPRGKRZSA-N 320.393 0.648 10 10 DCCE Nc1ccc(OCCS(=O)(=O)Nc2nncs2)cc1 70490539 XYUCBLBYNUWELG-UHFFFAOYSA-N 300.365 0.941 10 10 DCCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CN)c(F)c2)C1 702985978 WSTSYHQRTBBPMI-LLVKDONJSA-N 301.387 0.802 10 10 DCCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CN)c(F)c2)C1 702985979 WSTSYHQRTBBPMI-NSHDSACASA-N 301.387 0.802 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(c2ccc(CN)c(F)c2F)C1 703008117 WEQZDIXLOZKNBW-SECBINFHSA-N 305.350 0.551 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 2197931320 NDLYNSVWXMQTGX-NXEZZACHSA-N 301.372 0.905 10 10 DCCE CC[C@H](C)N1C(=O)C(=CNCCCN(C)C)C(=O)NC1=S 2296931362 GXPKQCJLMYDTLU-JTQLQIEISA-N 312.439 0.453 10 10 DCCE CN1C(=O)NC(=O)C(=CNC[C@@]2(C)C[C@H](O)CC(C)(C)C2)C1=O 2297593150 HNZXOGMTIJYWCC-HWPZZCPQSA-N 323.393 0.745 10 10 DCCE CN(CC(=O)O)c1ccc2c(c1)CC(=O)N2CCCC(N)=O 259368248 GIRKMWAWTPTSAM-UHFFFAOYSA-N 305.334 0.362 10 10 DCCE CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cccnc1 491844982 KVJSZGOYLQEMHO-SREVYHEPSA-N 300.318 0.155 10 10 DCCE C[C@H](NCC(=O)NC(N)=O)c1ccc(N2CCOCC2)cc1 775262077 XFAMHDZFGLGTNF-NSHDSACASA-N 306.366 0.369 10 10 DCCE COc1ccc(O)c(CNS(=O)(=O)[C@H]2CCO[C@H]2C)c1 785496021 TWKPTUVISYSVPL-ZANVPECISA-N 301.364 0.998 10 10 DCCE O=C(CO)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 906432441 CWKMSPHRDXJDRP-UHFFFAOYSA-N 319.405 0.792 10 10 DCCE NC(=O)[C@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 930142674 MGJPBULJOLMEQC-OAHLLOKOSA-N 321.446 0.926 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1ccc(Cl)cc1O 2146307513 ARTUBXUHOOPOIF-NWDGAFQWSA-N 316.810 0.616 10 10 DCCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 2234176071 HZZXIGJQIRDPKR-UWVGGRQHSA-N 322.412 0.714 10 10 DCCE CSc1ncc(CNC(=O)CCOCCOCCN)s1 2284634631 DGSTTXIISBDLKB-UHFFFAOYSA-N 319.452 0.863 10 10 DCCE CC(=O)N1CCN(C(=O)CCNCc2cc(C)ccc2O)CC1 113339692 JKARWCJSRUOADT-UHFFFAOYSA-N 319.405 0.871 10 10 DCCE CN1CCOC[C@@H]1CNCc1ccc(N2CCOCC2)cc1 858276082 JFMJSOUOIADNFK-KRWDZBQOSA-N 305.422 0.943 10 10 DCCE COc1cccc(CNC(=O)[C@H]2CCc3nnc(O)n3C2)c1O 1150543955 VTBFLLYBMHAHJG-JTQLQIEISA-N 318.333 0.577 10 10 DCCE COc1cccc(CNC(=O)NC[C@@]2(C)CCC(=O)N2)c1O 1312827687 UCEUITBTXLAOPH-OAHLLOKOSA-N 307.350 0.869 10 10 DCCE NCC[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329565884 LWBJINYFJUYORN-GFCCVEGCSA-N 317.389 0.822 10 10 DCCE C[C@H](CCNCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1482904577 YEHIOOCLYYQWTF-SNVBAGLBSA-N 307.354 0.939 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CC[C@@H](O)C2)cc1 2177943836 IJJYASFGQLBLBY-NWDGAFQWSA-N 300.380 0.480 10 10 DCCE C[C@H](NS(=O)(=O)N1CCC[C@@H](O)C1)c1ccccc1O 2192622922 CPQSARWZOAOVIV-WDEREUQCSA-N 300.380 0.744 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2COC)cc1Cl 2234077048 YOIUJSRJYNPBSE-IHRRRGAJSA-N 300.786 0.616 10 10 DCCE CN1C[C@@H](NCc2ccc(Br)cc2O)C(=O)N1 691396509 TULHVWUWCMNEBR-SECBINFHSA-N 300.156 0.590 10 10 DCCE NCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698180979 NPPIJUDZMBOIEA-GHMZBOCLSA-N 301.184 0.840 10 10 DCCE CCNC(=O)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 756940556 NUCXMPZOEYJMMO-UHFFFAOYSA-N 308.294 0.498 10 10 DCCE CC(=O)C(=O)CSc1nnc(-c2n[nH]c3c2CCC3)n1N 808026286 NAUCNSZJPBRVTA-UHFFFAOYSA-N 306.351 0.121 10 10 DCCE CN(C)c1ccc(/C=C\CN2CCN(CC(N)=O)CC2)cc1 835025928 OHKXVEMQVFRGNF-ARJAWSKDSA-N 302.422 0.869 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CNCCO3)C2)cc1 852843874 IVLDBPFHIDZRRC-XJKSGUPXSA-N 319.405 0.769 10 10 DCCE CCc1cccc(CNC2CN(S(=O)(=O)N(C)C)C2)c1O 862535953 CEVRVAHEUIXMMF-UHFFFAOYSA-N 313.423 0.535 10 10 DCCE CS(=O)(=O)CCCNC(=O)NCc1c(O)cccc1F 918159620 RQCYVNFKKZCLKU-UHFFFAOYSA-N 304.343 0.765 10 10 DCCE O=C(CCCN1C(=O)CCC1=O)NCc1cc(O)ccc1O 1455356836 KXXUOEMGUSQUHJ-UHFFFAOYSA-N 306.318 0.643 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)CN1CCCCC1 1639645353 NHJXFXNXRNKJGY-CYBMUJFWSA-N 308.378 0.603 10 10 DCCE CN(C)c1noc(CCC(=O)NCc2c(O)cccc2O)n1 1647270677 WTFPYJIZSJDKHW-UHFFFAOYSA-N 306.322 0.796 10 10 DCCE CN([C@@H]1CCN(c2ccc(CO)cc2F)C1)S(C)(=O)=O 2146922213 DQODBALEQLMWNP-LLVKDONJSA-N 302.371 0.788 10 10 DCCE NCc1ccc(N2CC(O)(CCO)C2)c(Br)c1 2249527779 MZNNPRKGSOVPML-UHFFFAOYSA-N 301.184 0.841 10 10 DCCE C[C@@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1c(O)cccc1O 2358324176 OYHFCHPADRNSOX-KBVBSXBZSA-N 301.364 0.560 10 10 DCCE CC[C@H](C)NC(=O)CCNS(=O)(=O)Cc1ccc(N)cc1 40347382 LBPAQNIWKBOHBP-NSHDSACASA-N 313.423 0.993 10 10 DCCE CO[C@H]1CC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 724192266 CVERVOIILXIAAU-OLZOCXBDSA-N 300.380 0.744 10 10 DCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](OC)C(=O)O)C2)cc1 901681586 KGXZKLWDCWNTJV-SMDDNHRTSA-N 322.361 0.737 10 10 DCCE CNC(=O)Cn1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 930660467 AXPFRIDYIQSMAP-UHFFFAOYSA-N 315.333 0.882 10 10 DCCE C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc2cccnc2c1O 862027998 MRDIBIPUKMMKKL-SECBINFHSA-N 323.374 0.494 10 10 DCCE C[C@@H](O)[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1332074231 LJVAZVAJGUGHSL-ZWNOBZJWSA-N 304.346 0.606 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CC(=O)NC1=O 1447563444 OGBNMAUFNNSUGQ-SCZZXKLOSA-N 306.318 0.198 10 10 DCCE CN1NC(=O)[C@H](CC(=O)NCCc2cccc(Cl)c2)C1=O 169995940 CHEQABWWKAAWMA-NSHDSACASA-N 309.753 0.508 10 10 DCCE Nc1ccc(-n2nnc(C(=O)NCc3ccc(O)cc3)n2)cc1 1857879165 WMHBCOXDEFPJDR-UHFFFAOYSA-N 310.317 0.880 10 10 DCCE COc1cc(N)c(N2CC[C@@H](S(C)(=O)=O)C2)cc1OC 2179926196 LTAGCKBPLLITNM-SECBINFHSA-N 300.380 0.909 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)c2n1 2063955492 DHZIBZRFQKOIEB-NOZJJQNGSA-N 315.377 0.956 10 10 DCCE COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(C)c1O 2204611975 ZGZKOPCYNVQBBB-SNVBAGLBSA-N 301.364 0.929 10 10 DCCE C[C@@H](NC(=O)[C@@H]1COC(=O)N1)c1ccc(N2CCOCC2)cc1 822786615 UAWCDHPDKOFSEK-RISCZKNCSA-N 319.361 0.809 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[C@H](O)[C@H](O)CC1 1178281792 ULJPPYYHDXARGD-ICINRZIRSA-N 307.346 0.892 10 10 DCCE C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1O 1171729797 IEMBLECCHWEVPL-JTQLQIEISA-N 303.318 0.510 10 10 DCCE COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)c(O)c1 697269452 ICLHXCGBXYEJOV-YPMHNXCESA-N 301.364 0.302 10 10 DCCE O=C(CNC(=O)c1cccc(O)c1)NCc1c(O)cccc1O 1456236968 RUBDOUNTFINLLA-UHFFFAOYSA-N 316.313 0.850 10 10 DCCE CS(=O)(=O)CC1(C(=O)NCc2c(O)cccc2F)COC1 1529018619 RONIBQUWFLZFTE-UHFFFAOYSA-N 317.338 0.209 10 10 DCCE Cn1ncc(C(=O)NCc2ccc(O)cc2O)c1-n1cnnc1 1557084925 UHPWLRUASFTJCF-UHFFFAOYSA-N 314.305 0.342 10 10 DCCE Cc1ccc(O)c(CNC(=O)NCCCCS(N)(=O)=O)c1 1673140095 HPIZGWYNAOMPQG-UHFFFAOYSA-N 315.395 0.569 10 10 DCCE C[C@@H](Oc1ccc(N)cc1)C(=O)NCCCN1CCOCC1 1860080387 FQKAQFRZSXOLMN-CYBMUJFWSA-N 307.394 0.875 10 10 DCCE C[C@@H](CNS(=O)(=O)CCOc1ccc(N)cc1)[S@@](C)=O 165059051 IOARLXQBNFQACP-OVWNDWIMSA-N 320.436 0.334 10 10 DCCE CN(C)S(=O)(=O)NCC(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155563873 NMESYQMRKZTVHS-SECBINFHSA-N 304.376 0.074 10 10 DCCE COc1ccc(Br)c(CN[C@H]2CONC2=O)c1O 2220461938 DMDLPKBYYFBMAM-QMMMGPOBSA-N 317.139 0.683 10 10 DCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)N)c(Cl)c1 2234071770 WOLXTDGPDLUVEQ-OKVQYTGBSA-N 300.786 0.917 10 10 DCCE COC(=O)NC[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2286122609 XDNCSTBQOPLJOW-VIFPVBQESA-N 301.368 0.433 10 10 DCCE C[C@H](O)C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 153208772 WSDAGLBQMICWBX-JTQLQIEISA-N 309.322 0.325 10 10 DCCE CN[C@H]1C(=O)Nc2cc(N3CCO[C@H](CO)C3)c(Cl)cc21 167220951 CUOTYFBCKWKWNG-ISVAXAHUSA-N 311.769 0.750 10 10 DCCE CN(C)C(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881986 YWJNFXVFQRPTFV-UHFFFAOYSA-N 323.349 0.679 10 10 DCCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN2CCOCC2)c1 182427842 RUDJEDOJCYWMNV-CHWSQXEVSA-N 310.394 0.745 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1ccc(O)cc1O 697268882 CUIKBHIPQDFYSM-YDEJPDAXSA-N 301.364 0.560 10 10 DCCE O=C(O)[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1 789903520 ZLUUOLQFFWMFQV-INIZCTEOSA-N 324.352 0.996 10 10 DCCE C[C@H](N)C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1119036464 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DCCE O=C1N[C@@H](C(=O)NCc2cccc(Br)c2O)CO1 295119930 JPZQDJQZCZPBNT-MRVPVSSYSA-N 315.123 0.879 10 10 DCCE C[C@@H]1CN(CCO)CCN1C(=O)NCCc1ccc(N)cc1 841955725 LFYMJPLGKWDTIS-CYBMUJFWSA-N 306.410 0.519 10 10 DCCE COc1cccc(CNC(=O)NCC[C@@]2(O)CCOC2)c1O 845452217 CVGDQDHFTMHOKY-OAHLLOKOSA-N 310.350 0.742 10 10 DCCE CO[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CC[C@@H]1C 842237688 XPMDFROUFLMGKS-SWLSCSKDSA-N 319.405 0.811 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CNCCO)C2CC2)cc1 1269149862 WEYJRYQIMXWFQG-ZDUSSCGKSA-N 319.365 0.939 10 10 DCCE Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1c(O)cccc1O 1472063583 NOBBMYDBQVATEK-UHFFFAOYSA-N 303.318 0.692 10 10 DCCE COc1ccc(-n2nnnc2CNC2(CNC(C)=O)CC2)cc1 1699640977 RIDCNZLXIXHJFJ-UHFFFAOYSA-N 316.365 0.429 10 10 DCCE COc1ccc([C@@H](C)NC[C@H]2CCS(=O)(=O)N2)c(O)c1 2146201020 PUJMVEUPYLXEAI-NXEZZACHSA-N 300.380 0.743 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@H]2CO)cc1 2174276947 XQQCTJPUBIXQGP-QWRGUYRKSA-N 300.380 0.195 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CN4CCC3CC4)c2n1 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DCCE O=C1OC[C@@]2(CNCc3cc4c(cc3O)OCO4)COCCN12 865768449 JDHIUTPZBLTABB-OAHLLOKOSA-N 322.317 0.432 10 10 DCCE C/C=C/[C@@H](O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1138054979 LSEKCZUKWDGRHX-OLEFQQMKSA-N 323.345 0.625 10 10 DCCE CCS(=O)(=O)NCCCNC(=O)Cc1ccc(O)c(O)c1 1626160049 DJSWUORAJUAOFF-UHFFFAOYSA-N 316.379 0.086 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]23COC[C@@H]2C3)c1 1638514745 KZZGIAICLYZSNC-SDBXPKJASA-N 312.347 0.282 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 1584361267 QETYQRWJDXPGON-CABCVRRESA-N 317.389 0.902 10 10 DCCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@@H](C)N)cc1 2152938402 IAMPBUCARMNDCY-SECBINFHSA-N 321.424 0.537 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCN(C)[C@H](C)C3)c2n1 2062778360 SWSUANWOTVAWCL-MNOVXSKESA-N 303.366 0.956 10 10 DCCE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](COc1nnc(=N)[nH]n1)C2 2210654277 SITCNJFYYJXWDW-GUBZILKMSA-N 322.369 0.846 10 10 DCCE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2356035464 YINDBDRDGDMPQJ-JIMOISOXSA-N 300.380 0.336 10 10 DCCE COC(=O)[C@@H](CF)NCc1ccc([N+](=O)[O-])c(OC)c1O 290530889 QQSGLXHUZCPGSX-MRVPVSSYSA-N 302.258 0.910 10 10 DCCE COc1cccc(O)c1CNCC[C@@H]1CNCCS1(=O)=O 903968900 PWEMGCLKDKZFKQ-LLVKDONJSA-N 314.407 0.267 10 10 DCCE NCCCNC(=O)C(=O)NCCCSc1nccs1 842092378 LIEALXBYJSFPPV-UHFFFAOYSA-N 302.425 0.207 10 10 DCCE COC(=O)[C@@](C)(O)CN(C)CCN(C)c1ccc(OC)cc1 844401109 HVJWJDXHJBDMFD-INIZCTEOSA-N 310.394 0.987 10 10 DCCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1N 1119611538 UYNNBHHKXAQEAP-ZDUSSCGKSA-N 303.362 0.430 10 10 DCCE COc1ccc(N(C)[C@@H]2CS(=O)(=O)C[C@@H]2OC)c(N)c1 829261598 CNNCBFONMFGOAU-OLZOCXBDSA-N 300.380 0.526 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn2nnnc12 1611432049 VRPSUSUYINNENN-VIFPVBQESA-N 313.317 0.897 10 10 DCCE O=C(O)Cc1cc(=O)oc2c(CN3CCNCC3)c(O)ccc12 211642094 KBCCJLPIOCWLHY-UHFFFAOYSA-N 318.329 0.531 10 10 DCCE CNC(=O)CN1C(=O)Cc2cc(N(C)CCC(=O)O)ccc21 259500405 QOCPFNAGMKBZOL-UHFFFAOYSA-N 305.334 0.233 10 10 DCCE Nc1ccc(-n2nnc(C(=O)N3CCCC[C@@H]3CCO)n2)cc1 1857878407 AKDDQCRPSBMOEE-GFCCVEGCSA-N 316.365 0.622 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(F)c(F)c1O 703286110 NADSTSYRNSAPMF-UWVGGRQHSA-N 307.318 0.572 10 10 DCCE COC[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2269096939 ZBNBTUQKZOOYAN-ZETCQYMHSA-N 305.381 0.764 10 10 DCCE O=C(OCC(=O)N1CCOC[C@H]1C1CC1)c1cccc(O)c1O 758559091 PRTAAXJUHVJCSR-LBPRGKRZSA-N 321.329 0.892 10 10 DCCE NC(=O)NCC(=O)NCc1cccc(Br)c1O 765942455 CJGOCGSBQATYFS-UHFFFAOYSA-N 302.128 0.439 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 808507870 JKQGEZQASRUVGL-GFCCVEGCSA-N 307.277 0.880 10 10 DCCE CCOC(=O)c1cc(NS(=O)(=O)N2CCC2)ccc1O 830018147 GADKALBAAOBLIX-UHFFFAOYSA-N 300.336 0.931 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)c3nc(=N)cc[nH]3)C2)cc1 866018876 PZPGQKJJHHHHPJ-LLVKDONJSA-N 313.361 0.906 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3COCO3)C2)cc1 923186787 VEITYQCNGNHINW-DOMZBBRYSA-N 321.377 0.946 10 10 DCCE Cn1[nH]c([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)nc1=N 1155198473 VFPMUPYTWMFTOG-JTQLQIEISA-N 317.349 0.545 10 10 DCCE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Cc1ccc(O)c(O)c1 1467369134 HYUZLALFPNSAGQ-NWDGAFQWSA-N 308.378 0.554 10 10 DCCE O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(O)cc1O 1469160121 PBODQVMDXKOQST-UHFFFAOYSA-N 319.273 0.484 10 10 DCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CN(C)CCN1C 1544139606 SMZSYZBQRLQSIM-WCQYABFASA-N 307.394 0.391 10 10 DCCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2nncn2CC1 1643103836 HEFMOZUYNYYOMN-SNVBAGLBSA-N 302.334 0.958 10 10 DCCE C[C@@](NCCCN=[N+]=[N-])(C(N)=O)[C@@H]1CCCS(=O)(=O)C1 1912166542 YQDHXTRMHVYZTO-KOLCDFICSA-N 303.388 0.345 10 10 DCCE C[C@H](c1c(O)cccc1O)N(C)CCN(C)S(C)(=O)=O 2146944343 UWDNPNVVXMNYTK-SNVBAGLBSA-N 302.396 0.982 10 10 DCCE C[C@@H](CCCn1ccc2c(c1=O)CNCC2)S(=O)(=O)O 2155523552 MKMQRKFWWCQVAU-JTQLQIEISA-N 300.380 0.551 10 10 DCCE COc1cc(Cl)cc(CNCC(CO)(CO)CO)c1O 2179801278 ZMCLHMCPQPYOQY-UHFFFAOYSA-N 305.758 0.107 10 10 DCCE NC[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2191629137 ISYARWURVJCZHZ-VIFPVBQESA-N 311.329 0.825 10 10 DCCE C[C@H](NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O 2192623879 IDLSRBFQORNXIG-VHSXEESVSA-N 319.404 0.560 10 10 DCCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)cc1Cl 2234098598 UUBIAPLTLYBEMN-HERUPUMHSA-N 300.786 0.654 10 10 DCCE Cc1cc(O)cc(C)c1NS(=O)(=O)C[C@@H]1CNCCO1 2239735475 ILPYHKNBRMOHTH-LBPRGKRZSA-N 300.380 0.739 10 10 DCCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 2279279424 DHDBWTVIUBHGHV-GFCCVEGCSA-N 302.371 0.997 10 10 DCCE CCCS(=O)(=O)N(C)NS(=O)(=O)Cc1ccc(N)cc1 2365341790 PIFRFTAJYLWGKD-UHFFFAOYSA-N 321.424 0.275 10 10 DCCE Cn1cc(S(=O)(=O)NCc2ccc(N)cc2)cc1C(N)=O 36288633 VCFMBAZWDIEQTE-UHFFFAOYSA-N 308.363 0.185 10 10 DCCE CCOc1cc(CN2CCNCC2)ccc1N1CCNCC1 212642079 PWFNFFMEMFOOEJ-UHFFFAOYSA-N 304.438 0.900 10 10 DCCE CN(c1ccc(CN)cc1F)[C@H]1CCN(S(C)(=O)=O)C1 383376830 LHUHMNQICJLGFG-NSHDSACASA-N 301.387 0.755 10 10 DCCE O=C(COC(=O)[C@@H](O)C1CCOCC1)c1ccc(O)c(O)c1 783699896 WZJHQHYONLYREF-AWEZNQCLSA-N 310.302 0.611 10 10 DCCE CC(=O)C(=O)COC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 808529851 WHFCOAOEWBNKGJ-HNNXBMFYSA-N 318.285 0.056 10 10 DCCE Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(O)c1O 841453120 BVBVZDCDNBFIQE-NWDGAFQWSA-N 308.378 0.933 10 10 DCCE COCCC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)C1 871946648 GRFSGXRXWBRJMX-UHFFFAOYSA-N 307.331 0.760 10 10 DCCE COc1ccc(CNC/C=C\CNC(=O)CC(N)=O)cc1C 1268521452 FJTVYGMKZBSMMR-ARJAWSKDSA-N 305.378 0.641 10 10 DCCE CN(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cncn1C 1622753249 NWBQQCWMJBOKAB-HNNXBMFYSA-N 318.377 0.793 10 10 DCCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(F)c1F 2144169758 OKEZWIWRWPQDLW-UWVGGRQHSA-N 302.346 0.904 10 10 DCCE CCCS(=O)(=O)CCN(C)C(=O)c1ccc(O)c(O)c1 2170465316 RSQNWORYOBEZSR-UHFFFAOYSA-N 301.364 0.995 10 10 DCCE CSc1ncc(CNCCN2CCCS2(=O)=O)s1 2208476796 NNILGOJMDRYADH-UHFFFAOYSA-N 307.466 0.990 10 10 DCCE CSc1ncc(CNC(=O)[C@H](N)Cc2ncns2)s1 2269095781 ZOPYETQKRBKLQA-SSDOTTSWSA-N 315.449 0.903 10 10 DCCE CN(C)S(=O)(=O)CCCNCc1ccc(O)c(O)c1O 2367625964 MKBHGXHYMMRZRW-UHFFFAOYSA-N 304.368 0.175 10 10 DCCE 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906428379 RGHDLTPHDASVFB-UHFFFAOYSA-N 307.394 0.600 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)cc1F 1137423149 WIMVRQPQHGNINB-NSHDSACASA-N 323.368 0.994 10 10 DCCE CC(C)[C@@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccccc1O 1294674036 WYNLQBDHAAMUMA-CYBMUJFWSA-N 314.407 0.924 10 10 DCCE COc1ccc(CNCCN(C)C(=O)[C@@H]2COC(=O)N2)cc1C 1481225705 SOFABZOOGMYIOE-ZDUSSCGKSA-N 321.377 0.660 10 10 DCCE CS(=O)(=O)CCCCCNC(=O)Cc1ccc(O)c(O)c1 1633413182 BGCKNOALUMRMPA-UHFFFAOYSA-N 315.391 0.971 10 10 DCCE CSCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912199679 WAIOZMXQVYXYHH-DTWKUNHWSA-N 300.388 0.935 10 10 DCCE COc1ccc(Br)c(CNC[C@@H](O)[C@@H](C)O)c1O 1965946189 GWGXHMRJPKKRLA-GMSGAONNSA-N 320.183 0.995 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H]4CCN(C)C[C@@H]4C3)c2n1 2062417752 GKXZKDBTEHQMHQ-NWDGAFQWSA-N 315.377 0.767 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)[C@@H](C)O)s1 2269097478 DQDOPHMWEWRTDV-IYSWYEEDSA-N 305.381 0.498 10 10 DCCE CCN(CCN=[N+]=[N-])CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 2362981511 OTOMUOOVWRICRB-NSHDSACASA-N 303.388 0.312 10 10 DCCE CCOC(=O)CS(=O)(=O)NCc1ccc(N(C)C)cc1 109337211 QSOASMYMZQIOCW-UHFFFAOYSA-N 300.380 0.735 10 10 DCCE C[C@@H](C[C@@H](C)O)NS(=O)(=O)CCOc1ccc(N)cc1 228055133 ZJJCSBRNCHLSRO-WDEREUQCSA-N 302.396 0.726 10 10 DCCE CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(O)c(O)c1 778927222 LVTIUSFBGNECNT-UHFFFAOYSA-N 316.379 0.432 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 811428206 LJRZXNVDWRBNEI-NSHDSACASA-N 317.313 0.893 10 10 DCCE CN(Cc1ccccc1O)C(=O)c1ccnc(S(C)(=O)=O)n1 816889276 RYRKFRZAYURCQL-UHFFFAOYSA-N 321.358 0.858 10 10 DCCE COc1cc(C)cc(CN2CCN(CCN(C)C)C(=O)C2)c1O 844713455 CHIZMRSDFWHMDB-UHFFFAOYSA-N 321.421 0.915 10 10 DCCE COCCN(CC(=O)N(C)C)C(=O)Cc1ccc(O)c(O)c1 1144204452 PMYLTHYEZJFLLX-UHFFFAOYSA-N 310.350 0.204 10 10 DCCE COC(=O)Cn1ncc(NC(=O)Cc2ccc(O)c(O)c2)c1C 1633387575 STBNZHNFZKCGSW-UHFFFAOYSA-N 319.317 0.957 10 10 DCCE O=C(NCc1ccc(O)cc1O)[C@H]1CCc2nnnn2CC1 1639444305 GEFUQAFRKUGPBR-VIFPVBQESA-N 303.322 0.353 10 10 DCCE COc1cc(N2CC(NC3COC3)C2)c([N+](=O)[O-])cc1OC 1643230230 HKGHWIQVHFCQTL-UHFFFAOYSA-N 309.322 0.789 10 10 DCCE CS(=O)(=O)CCOCCNC(=O)c1c(F)ccc(O)c1O 1648572998 WKPXZEMSTBQUTA-UHFFFAOYSA-N 321.326 0.028 10 10 DCCE Nc1ccc(CS(=O)(=O)N=[S@@]2(=O)CC[C@@H](N)C2)cc1 1876165125 KEGVFOIIBGRGGT-ADLMAVQZSA-N 303.409 0.298 10 10 DCCE CN(CCN(C)S(C)(=O)=O)C(=O)c1cccc(O)c1O 1971682534 FBVNJPQSELQRPS-UHFFFAOYSA-N 302.352 0.061 10 10 DCCE CS(=O)(=O)c1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1N 2070219472 VOJBDQJMTOXNQQ-UHFFFAOYSA-N 312.307 0.531 10 10 DCCE COCC[S@](=O)CCNCc1cc2c(cc1O)OCO2 2207027010 GCTGECBVORORTQ-HXUWFJFHSA-N 301.364 0.606 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1COc1nnc(=N)[nH]n1 2210660050 ZLNBZMUGYGYFGZ-UWVGGRQHSA-N 324.385 0.999 10 10 DCCE CSc1ncc(CNC(=O)N[C@H](C)[C@@H](O)C(=O)O)s1 2269097256 BSHVSWKBELIPGJ-IYSWYEEDSA-N 305.381 0.498 10 10 DCCE CCOCCCNS(=O)(=O)CCOc1ccc(N)cc1 70490516 XQNCKALQWXQKRQ-UHFFFAOYSA-N 302.396 0.994 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 168356742 HKMOCUVWZLUWPT-ZDUSSCGKSA-N 309.391 0.405 10 10 DCCE C[C@H]1OCC[C@]1(O)CNS(=O)(=O)Cc1ccc(N)cc1 227102564 ALKSXEWPBUWNIV-MFKMUULPSA-N 300.380 0.228 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CC(=O)N3)C2)cc1 855223326 GOGWPYPEZCHKMA-NEPJUHHUSA-N 303.362 0.669 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1 855230040 CBTDPXKWLXQLKC-WFASDCNBSA-N 306.362 0.806 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H](N)C(C)(C)C1 1262161323 HALJRECAWCLENS-ZDUSSCGKSA-N 305.378 0.546 10 10 DCCE C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1330495493 HIGMCUKVLDADAC-YPMHNXCESA-N 318.373 0.854 10 10 DCCE Cn1cc([C@@H](NC(=O)c2cccc(O)c2O)c2ncon2)cn1 1637752885 OROTTXFIASNOPM-LLVKDONJSA-N 315.289 0.734 10 10 DCCE CC(=O)C(=O)[C@@H](O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 1900512908 VOLPMODMLHEGDL-BXUZGUMPSA-N 301.339 0.531 10 10 DCCE COc1ccc(O)c([C@H](C)NCCS(=O)(=O)CCO)c1 1969269064 BKQOTRMEMKUAOJ-JTQLQIEISA-N 303.380 0.459 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2161841372 TVJZQKIEAFFOAQ-WDEREUQCSA-N 303.388 0.710 10 10 DCCE CCC[C@@H](N)CNS(=O)(=O)CCOc1ccc(N)cc1 2233920297 GDMVQVJDRWIKTN-GFCCVEGCSA-N 301.412 0.694 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CC[C@H]2O)ccc1O 2236168443 POCZZSYIMBEYMT-GMSGAONNSA-N 302.308 0.813 10 10 DCCE O=C(O)[C@H]1[C@H](O)[C@H](O)CCN1Cc1cc(Cl)ccc1O 2357917756 JEXAWNBKWBWLGM-IJLUTSLNSA-N 301.726 0.426 10 10 DCCE COCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22664828 KAWLHIZGMFQSGI-MRXNPFEDSA-N 321.421 0.889 10 10 DCCE CC1(C)C(=O)N(CCC(=O)Nc2ccc(N)cc2)S1(=O)=O 94344503 ZRFYZGYGJDINQR-UHFFFAOYSA-N 311.363 0.548 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CCOCC2=O)cc1F 280765888 YLQSALFBTAFWFS-UHFFFAOYSA-N 309.341 0.367 10 10 DCCE C[C@H](NC(=O)[C@H]1COC(=O)N1)c1ccc(N2CCOCC2)cc1 822786616 UAWCDHPDKOFSEK-SMDDNHRTSA-N 319.361 0.809 10 10 DCCE CN(C)c1ccc([C@H](N)CNC(=O)c2cccn(C)c2=O)cc1 832272598 HMVMYKNYHIPNHB-OAHLLOKOSA-N 314.389 0.881 10 10 DCCE COC[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)OC 921450542 ALSSXDYLZDNPRY-VIFPVBQESA-N 307.343 0.612 10 10 DCCE Oc1cc2c(cc1CN1CCO[C@]3(CCOC3)C1)[C@@H](O)CO2 768905104 IEISXTMHAQUJHP-GOEBONIOSA-N 307.346 0.809 10 10 DCCE CCC[C@H](O)CNS(=O)(=O)CCOc1ccc(N)cc1 134328280 QMLRMFWSDDUAIR-LBPRGKRZSA-N 302.396 0.728 10 10 DCCE O=C(NCc1cc(O)ccc1O)c1cn(C2CCOCC2)nn1 1303225953 UMTYAIKAJHHJQM-UHFFFAOYSA-N 318.333 0.971 10 10 DCCE Cc1nnc2n1C[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1178910342 CQYKHFORAFVICE-JTQLQIEISA-N 302.334 0.877 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)C(F)F)cc1C 1320188968 OPQBTUSCYVYNOZ-NSHDSACASA-N 302.321 0.835 10 10 DCCE CN(C)[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331957757 BEGFIRJVAKTURY-ZDUSSCGKSA-N 317.389 0.787 10 10 DCCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)CNC(C)=O)C2)cc1C 1713185634 PLNLEYOXPDISBL-GASCZTMLSA-N 319.405 0.877 10 10 DCCE COc1ccc(-n2nnnc2CN[C@@H](C)[C@@H](C)NC(C)=O)cc1 1485113542 ZANRXAYXBXNQDW-WDEREUQCSA-N 318.381 0.674 10 10 DCCE CN(c1ccc(CN)c(F)c1)[C@H]1CCN(S(C)(=O)=O)C1 380444300 MKUOYPBKRSURQZ-LBPRGKRZSA-N 301.387 0.755 10 10 DCCE COc1ccc(O)c(CNC(=O)[C@@H]2CCN3CCOC[C@H]23)c1 2062307423 CRSXREVNCRREKM-ZIAGYGMSSA-N 306.362 0.738 10 10 DCCE CN(C)C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 181093850 IYCVLJJZSHYKRK-BPJJOFIESA-N 306.362 0.900 10 10 DCCE C[C@@]1(NC(=O)CCOc2ccc(N)cc2)CCS(=O)(=O)C1 44884345 WFWKQVXZVGICLV-CQSZACIVSA-N 312.391 0.731 10 10 DCCE CCn1ncc(CN2C(=O)CN(Cc3ccccc3O)C2=O)n1 530200311 VSBPMCXLFMQWTQ-UHFFFAOYSA-N 315.333 0.968 10 10 DCCE COC(=O)CCCCCNC=C1C(=O)N(C)C(=O)N(C)C1=O 299268645 QSRORFZYNCHGSP-UHFFFAOYSA-N 311.338 0.244 10 10 DCCE COc1ccc(CNCC2(S(N)(=O)=O)CCC2)c(O)c1 721566325 JHYLCHYMNLMBQO-UHFFFAOYSA-N 300.380 0.702 10 10 DCCE CN1CC(=O)N(CCCC(=O)NCc2c(O)cccc2F)C1=O 928710177 PIGSEODPYCFROH-UHFFFAOYSA-N 323.324 0.822 10 10 DCCE C[C@@H](NC(=O)C(=O)N1CC=C[C@H]1CO)c1ccc(N(C)C)cc1 1333799685 VMSLLHKVGPXQDK-DOMZBBRYSA-N 317.389 0.689 10 10 DCCE O=C(O)[C@H]1CCCN1C(=O)CCN1C(=O)CSC1=S 1865765342 BDKBFXMKNLBWHI-SSDOTTSWSA-N 302.377 0.312 10 10 DCCE Cn1cc(C[C@H](CO)CNC(=O)Cc2ccc(O)c(O)c2)cn1 1556572389 QPDDIYXPTPWZAQ-ZDUSSCGKSA-N 319.361 0.341 10 10 DCCE COC(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)n(C)n1 1630335401 OTYUDSQFLKEKPX-UHFFFAOYSA-N 319.317 0.590 10 10 DCCE Nc1ncnc2c1ncn2CCC(=O)NCc1ccccc1O 1566373791 FLJQFXHXTDRESK-UHFFFAOYSA-N 312.333 0.821 10 10 DCCE C[C@H](CS(=O)(=O)N(C)C)NC(=O)Nc1ccc(N)cc1 2151092694 QBMUMEAHIGXVPM-SECBINFHSA-N 300.384 0.670 10 10 DCCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1 2234176073 HZZXIGJQIRDPKR-ZJUUUORDSA-N 322.412 0.714 10 10 DCCE Cn1cc([C@@H](NCCN=[N+]=[N-])C(N)=O)c(Br)n1 712424710 JVVBRCXVIZXISI-ZCFIWIBFSA-N 302.136 0.609 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C2)cc1 855227740 ZMXKNLVWRBHIBO-NEPJUHHUSA-N 320.393 0.837 10 10 DCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCN2CCO[C@H]1C2 1556735804 QGTCLDQAIIPWPS-WFASDCNBSA-N 306.362 0.572 10 10 DCCE CCC[C@@H](C(=O)NCc1ccc(O)cc1O)S(N)(=O)=O 1557084633 IBHQPRNYOJKADT-NSHDSACASA-N 302.352 0.171 10 10 DCCE C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(N2CCOCC2)cc1 1626978201 MAIGLORHAWLKRQ-GLQYFDAESA-N 317.389 0.822 10 10 DCCE Cc1nn(CC(=O)NCc2ccc3cccnc3c2O)c(=O)o1 1643284748 JYHHAMOTXNPDJA-UHFFFAOYSA-N 314.301 0.715 10 10 DCCE C[C@H](O)c1ccc(N2CC(O)(C(N)=O)C2)c(Br)c1 1915236125 JJPSZJFSXQELPP-ZETCQYMHSA-N 315.167 0.539 10 10 DCCE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CC(N=[N+]=[N-])C2)C1 1985095107 YZOVUKIBWZLJRQ-UHFFFAOYSA-N 324.385 0.964 10 10 DCCE C[C@@]1(CNS(=O)(=O)Cc2ccc(N)cc2)COCCO1 2145383457 UOSZYPVRRZPQQT-CYBMUJFWSA-N 300.380 0.494 10 10 DCCE COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 132926525 VEJJTVKFMBLBPF-GFCCVEGCSA-N 312.391 0.984 10 10 DCCE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)CC1=O 841062221 UBNQENNUKQZGNI-OASPWFOLSA-N 316.361 0.333 10 10 DCCE O=[N+]([O-])c1ccc(O)c(CNC[C@@]2(OCCO)CCOC2)c1 850358107 HBNKJAQYCICMPJ-AWEZNQCLSA-N 312.322 0.558 10 10 DCCE COc1ccc(O)c([C@H](C)NCCN2C(=O)CN(C)C2=O)c1 851900279 QRPJTKVCDJNKGY-JTQLQIEISA-N 307.350 0.945 10 10 DCCE CCOc1cccc(CNCC2(S(N)(=O)=O)CC2)c1O 713999845 FWKUTMZIFJZNIO-UHFFFAOYSA-N 300.380 0.702 10 10 DCCE COC(=O)C1(O)CN(c2ccc(CO)cc2Br)C1 714482889 NGEBDVCRDIXTRD-UHFFFAOYSA-N 316.151 0.666 10 10 DCCE C[C@]12CNC[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 1330080832 DFBJMKCNKRNDLH-YVEFUNNKSA-N 315.373 0.302 10 10 DCCE CC[C@@H](O)Cn1cc(C(=O)NCc2c(O)cccc2O)nn1 1635846888 CVBAWGAVZFUMSN-SECBINFHSA-N 306.322 0.390 10 10 DCCE C[C@@H](C(=O)NCc1ccc(O)cc1O)[C@@H](C)S(C)(=O)=O 1630302120 RKUVVOFVFXXIMV-RKDXNWHRSA-N 301.364 0.783 10 10 DCCE COCCn1cc(C(=O)NCc2cc(O)ccc2O)ccc1=O 1644752492 HVOVSGOQDHDSOE-UHFFFAOYSA-N 318.329 0.836 10 10 DCCE COC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H]1CCS(=O)(=O)C1 1912187059 FEJOUXOKUURZCU-GXSJLCMTSA-N 304.372 0.643 10 10 DCCE NCc1cc(F)c(N2CC(CO)(CO)C2)cc1Br 1914970854 KBSWFQOIHCBKMP-UHFFFAOYSA-N 319.174 0.838 10 10 DCCE COC[C@@](C)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 1926955061 NOCZKBZQVXKZLA-CYBMUJFWSA-N 302.396 0.333 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC2(CO)CCC2)cc1 122734578 SGJNPJAPPSKKRQ-UHFFFAOYSA-N 300.380 0.482 10 10 DCCE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1nnc(=N)[nH]n1 2210650076 QFHZJKUUFVMDNJ-LPEHRKFASA-N 322.369 0.846 10 10 DCCE COc1cc(NS(C)(=O)=O)c(N2CCOCC2)cc1OC 20496408 KAQJJGWJEWPITJ-UHFFFAOYSA-N 316.379 0.912 10 10 DCCE C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCSCC2)cc1 58976928 UIDCELWALKRBDM-LLVKDONJSA-N 322.434 0.913 10 10 DCCE C[C@@H](CN(C)C)NS(=O)(=O)CCOc1ccc(N)cc1 168561565 ZSRGIQDZAHRSAE-NSHDSACASA-N 301.412 0.517 10 10 DCCE Cc1cccc(CN2CCN(C(=O)N3CCNCC3)CC2)c1O 530241714 IEFPFFVMQGXWNZ-UHFFFAOYSA-N 318.421 0.843 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)cc1 855232601 SKVJAMWGCDSRSY-OLZOCXBDSA-N 317.389 0.868 10 10 DCCE O=C1CC[C@]2(C(=O)NCc3c(O)cccc3O)SCCN12 1639288921 BJDAOUZQTCPNFS-CQSZACIVSA-N 308.359 0.780 10 10 DCCE COC(=O)/C=C\c1ccc(N(CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 1773522740 VTQGEZVPMTYOOY-VLWUPBBWSA-N 324.333 0.961 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3CCCN3C)c2n1 2062117122 IXNBAGMTKAKVGP-NSHDSACASA-N 303.366 0.910 10 10 DCCE 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COc1ccc(N2CC[C@@H](CNC(=O)C3(O)COC3)C2)cc1 1627158607 BNVZJRKNOUQRFP-LBPRGKRZSA-N 306.362 0.399 10 10 DCCE CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1C(N)=O)C(C)C 2059864968 XWKMKERVUSLYHM-LBPRGKRZSA-N 316.379 0.904 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@]23COC[C@H]2C3(F)F)cc1 2161873226 ZLCOKURZSSOKAL-GHMZBOCLSA-N 304.318 0.722 10 10 DCCE COC(=O)[C@H](NCCCN=[N+]=[N-])C1(S(C)(=O)=O)CCC1 2166710869 GOETVEWPCOFMRV-VIFPVBQESA-N 304.372 0.785 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCCN1CCS(=O)(=O)N1CCOCC1 2179611031 CELZODCPMQRLJO-NSHDSACASA-N 303.388 0.423 10 10 DCCE NCCN(C[C@@H](N)Cc1ccc(N)cc1)C(=O)C(F)(F)F 701692659 IXYSOHMBRVSYHD-NSHDSACASA-N 304.316 0.488 10 10 DCCE CN(C)C(=O)C1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CC1 832284060 HELHEIFNIRRWCY-CQSZACIVSA-N 318.421 0.737 10 10 DCCE CN1CCO[C@H](CS(=O)(=O)NCc2ccccc2O)C1 866828927 CYZSMYVECQBRNP-LBPRGKRZSA-N 300.380 0.142 10 10 DCCE COc1cccc(CNC(=O)NC2CC(CC(N)=O)C2)c1O 1638329680 AZSQSDUSABTGQB-UHFFFAOYSA-N 307.350 0.854 10 10 DCCE CN(C)c1nc(N)nc(C(=O)NCc2c(O)cccc2F)n1 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CCN1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1335542341 LWHZJIPNTIVPMN-UHFFFAOYSA-N 303.362 0.399 10 10 DCCE COC(=O)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1542904462 IZQFBZKOYRGMPU-NSHDSACASA-N 320.305 0.863 10 10 DCCE COc1cccc(CN(C)CCS(=O)(=O)N(C)C)c1O 2151046924 JJZHKGFXUDDJBJ-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE O=C(NCc1n[nH]cc1Br)c1cc(O)nc(O)c1 718849401 BLUCLVPJBWQIKV-UHFFFAOYSA-N 313.111 0.908 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](CCCO)C3)c2n1 2062802721 TYKKIXSVQXSNBX-LLVKDONJSA-N 304.350 0.978 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@](O)(CO)[C@@H](O)C2)c(Cl)c1 2234092311 IFYVYSGUWIITEK-HERUPUMHSA-N 301.770 0.688 10 10 DCCE Cc1ccc(CNC(=O)[C@@H](N)[C@H](C)O)c(O)c1Br 2327594961 CONJABBTYVJTKC-XVKPBYJWSA-N 317.183 0.787 10 10 DCCE CCCNC(=O)CNS(=O)(=O)CCOc1ccc(N)cc1 70490637 BIUMDTXQZBHBSU-UHFFFAOYSA-N 315.395 0.093 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CC(N)=O)C2)cc1 854298098 VUZPDEOCFOVBAH-NEPJUHHUSA-N 320.393 0.837 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC(N)=O)C2)cc1 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C[C@@](O)(Cn1ccccc1=O)C(=O)NCc1ccc(O)cc1O 1299575095 XSHMTKPNPOVGPJ-MRXNPFEDSA-N 318.329 0.327 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H](O)[C@@H](CO)C2)cc1 1654751766 NYTLGQQWAUISJW-GDBMZVCRSA-N 321.421 0.044 10 10 DCCE C[C@H](O)C(C)(C)NS(=O)(=O)CCOc1ccc(N)cc1 144773839 PVSTVDXYWQKGJQ-JTQLQIEISA-N 302.396 0.726 10 10 DCCE C[C@@H](CS(N)(=O)=O)NCc1c(O)cccc1Br 1947426892 VQNRKKKDEPSBIJ-ZETCQYMHSA-N 323.212 0.921 10 10 DCCE CN(CCS(=O)(=O)N(C)C)Cc1cc(F)cc(F)c1O 2151046562 GGBQMQCHIABPST-UHFFFAOYSA-N 308.350 0.994 10 10 DCCE CCC[S@](N)(=O)=N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 404673303 DUYLPYCOPZAHBP-GSDQLPOLSA-N 302.352 0.845 10 10 DCCE CN1C[C@H](NCc2cccc(Br)c2O)C(=O)N1 393905448 MRJLJWAXYGETBC-VIFPVBQESA-N 300.156 0.590 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)C(=CNCCN(C)C)C2=O)cc1 2296103255 YMCLUBQGKYEOOD-UHFFFAOYSA-N 316.361 0.613 10 10 DCCE Cc1ccc(CN2CC(=O)NCC2=O)c(O)c1Br 2327800447 LAEIITBLJWNCPU-UHFFFAOYSA-N 313.151 0.922 10 10 DCCE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 49063655 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COc1ccc(CNC2CN(S(=O)(=O)N(C)C)C2)cc1C 858311790 NHXPUFJMLRKBKK-UHFFFAOYSA-N 313.423 0.584 10 10 DCCE COc1ncnc(OC)c1C(=O)NCc1cccc(O)c1O 1153793075 YSAWTCOYEAAKOR-UHFFFAOYSA-N 305.290 0.835 10 10 DCCE NC(=O)COc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1176748331 PDKMPNBIDVEQJD-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE Cn1nnc2c1C[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1472064247 YJFHAIJWBKQPIP-VIFPVBQESA-N 302.334 0.648 10 10 DCCE CNC(=O)Cn1nc(NC(=O)c2c(F)ccc(O)c2O)cc1C 1558960700 YDFFEJLCRDSYAO-UHFFFAOYSA-N 322.296 0.740 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@@H]2CCCCN2C1=O 1625882698 PGVATAQQNJLNFR-RYUDHWBXSA-N 304.346 0.910 10 10 DCCE CCN1CCN(C(=O)CCN2C(=O)CSC2=S)CC1 1865766249 YYSCTYGMXKIIHI-UHFFFAOYSA-N 301.437 0.401 10 10 DCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(Br)cc1O 2053786788 VNXMFUYPDUFDIA-GXSJLCMTSA-N 315.167 0.887 10 10 DCCE C[C@H](O)C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 272867461 STHWWBDWFOBMTH-QMMMGPOBSA-N 316.379 0.653 10 10 DCCE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 724881294 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Cc1cc(NS(=O)(=O)N(C)C)ccc1NS(C)(=O)=O 381879822 OTMCIZQHJFDKRO-UHFFFAOYSA-N 307.397 0.585 10 10 DCCE CC[C@@H]1COCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1 737795294 GUMIGTGVIYIBRG-SNVBAGLBSA-N 306.322 0.744 10 10 DCCE OCc1nnn2c1CN(Cc1cc3c(cc1O)OCO3)CC2 894803291 LGFGQBVTICPRDP-UHFFFAOYSA-N 304.306 0.221 10 10 DCCE NC(=O)C1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 930340427 DMWHRCGQLGINAI-UHFFFAOYSA-N 319.405 0.335 10 10 DCCE CC(C)CS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1469160905 WJXRTJZEUTUZDF-UHFFFAOYSA-N 301.364 0.785 10 10 DCCE CC1(Cn2cc(C(=O)NCc3cc(O)ccc3O)nn2)COC1 1471661163 IVEUMMZXAMEIEZ-UHFFFAOYSA-N 318.333 0.656 10 10 DCCE CN1CCN(c2ccc(CNc3nc(N)nc(N)n3)cc2)CC1 1640335671 FOOQSKDRSDFYAM-UHFFFAOYSA-N 314.397 0.400 10 10 DCCE COc1ccc(CNC/C=C/CNC(=O)CNC(C)=O)cc1C 1668678164 IWCDVWMGWBZURM-SNAWJCMRSA-N 319.405 0.902 10 10 DCCE COC(=O)[C@]1(NCCCN=[N+]=[N-])CCS(=O)(=O)[C@@H](C)C1 1912183058 KLZFQMTYZQMBIC-ONGXEEELSA-N 304.372 0.785 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H]4CN(C)C[C@@]4(C)C3)c2n1 2064816652 BVHVYLBSALKQME-BZNIZROVSA-N 315.377 0.767 10 10 DCCE Nc1ccc(OC[C@@H](O)CN2CC[C@@H](C3OCCO3)C2)cc1 2089609528 PWMOYVYEFKZBEW-OCCSQVGLSA-N 308.378 0.703 10 10 DCCE COc1ccc(O)c([C@H](C)NC2CN(S(C)(=O)=O)C2)c1 2145423821 OAAXAHCIKYWLOR-VIFPVBQESA-N 300.380 0.695 10 10 DCCE CNCc1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Cl)c1 2146327736 ZZDSJFYAOGIUTH-KBPBESRZSA-N 300.786 0.618 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@@H]2CO)cc1 2174276948 XQQCTJPUBIXQGP-WDEREUQCSA-N 300.380 0.195 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CC[C@@H]2CO)cc1 2233749512 XACKJHUVTDERBN-MFKMUULPSA-N 300.380 0.338 10 10 DCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)O)cc1Cl 2233865069 FUCRGYAMBQJAGH-OKVQYTGBSA-N 301.770 0.950 10 10 DCCE COc1c(O)nc(=O)n(Cc2cnc(SC)s2)c1O 2269245434 KENMIMWQZRMATH-UHFFFAOYSA-N 301.349 0.890 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2358570148 BPTUFWSCFYGSPP-UTLUCORTSA-N 301.372 0.758 10 10 DCCE CCCS(=O)(=O)N(C)Nc1nc(COC)c(C(=O)O)s1 2365340490 ZLQJIYBZVMIQLD-UHFFFAOYSA-N 323.396 0.986 10 10 DCCE COc1ccc(N2CCN(CCN3C(=O)CCC3=O)CC2)cc1 56279245 CFGHMBOIDWJNLG-UHFFFAOYSA-N 317.389 0.966 10 10 DCCE CCN(CC)c1ccc(CNC(=O)C[C@@H]2NC(=O)NC2=O)cc1 179547561 PKQKTRRGEIASFW-ZDUSSCGKSA-N 318.377 0.747 10 10 DCCE C[C@H]1CO[C@H](C)CN1S(=O)(=O)NCCc1ccc(N)cc1 249591476 PEEDANFTPZMGCC-NWDGAFQWSA-N 313.423 0.755 10 10 DCCE COc1ccc(N2C[C@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 808499912 ALXQXZBTVUEKPZ-LLVKDONJSA-N 319.313 0.749 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CN([C@@H]2CCOC2)C1 907272737 ITZPQIDKGMFGNA-BXUZGUMPSA-N 320.389 0.866 10 10 DCCE CN1C(=O)C(=Cc2c3c(nn2C)CCSC3)C(=O)N(C)C1=O 887274378 RGRRSDZHDSUSBM-UHFFFAOYSA-N 320.374 0.643 10 10 DCCE CCNC(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1141336981 YFXPRJFHRCTMSN-UHFFFAOYSA-N 306.326 0.898 10 10 DCCE CN(C)Cc1cnc(C=C2C(=O)N(C)C(=O)N(C)C2=O)s1 794690116 GIRUJGDWCDZLLH-UHFFFAOYSA-N 308.363 0.639 10 10 DCCE C[C@@H](N)[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1335711316 FJXJNUFZOINIQG-BXUZGUMPSA-N 317.389 0.963 10 10 DCCE OCc1ccc(N2C[C@H](O)C[C@@H]2CO)c(Br)c1 698122777 KVNCNWTWJSBJSP-NXEZZACHSA-N 302.168 0.873 10 10 DCCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H](O)C[C@H]1CO 1296746477 UWTQKVWMALHHSI-DTWKUNHWSA-N 309.343 0.880 10 10 DCCE C[C@@H](O)[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 167596184 TVZFHUAVZCUIEQ-VXGBXAGGSA-N 314.407 0.680 10 10 DCCE CC(=O)C(=O)[C@@](C)(O)C[C@H]1COCCN1C(=O)OC(C)(C)C 1919187829 LOHNYWBLVPAGOD-NHYWBVRUSA-N 315.366 0.922 10 10 DCCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CO)cc2F)CCO1 2143669078 ARFQKGCPKJZBOL-NSHDSACASA-N 303.355 0.568 10 10 DCCE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCCN=[N+]=[N-])nn1 1985103186 RKCFUZUESLXRLQ-UHFFFAOYSA-N 324.345 0.843 10 10 DCCE Cc1cc(NS(=O)(=O)C[C@H](C)N)ccc1NS(C)(=O)=O 2152940116 LWRVZXQZMFXJDH-VIFPVBQESA-N 321.424 0.455 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](C)c1cc(F)ccc1O 697273318 LXHGZDLEONZLKB-YDEJPDAXSA-N 303.355 0.994 10 10 DCCE NCC1(F)CC(CNS(=O)(=O)Cc2ccc(N)cc2)C1 2191774614 RYEPRKHJEVDOOZ-UHFFFAOYSA-N 301.387 0.765 10 10 DCCE 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300.380 0.911 10 10 DCCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H](C)OC)cc1C 1268298357 JVPOSKHGWIWMDW-JSGCOSHPSA-N 310.394 0.605 10 10 DCCE COc1ccc(CNC[C@@H](C)CNC(=O)CC(N)=O)cc1C 1714381253 UAMQRLLDJDYIFW-LLVKDONJSA-N 307.394 0.721 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H](CCO)C2)cc1 2172865165 ULRXXIOPJWSKAH-ZDUSSCGKSA-N 300.380 0.182 10 10 DCCE COC(=O)[C@H](C1CC1)S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2174354174 FDANIFVMMCAJRU-VIFPVBQESA-N 302.356 0.948 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CCNC2)ccc1O 2236167711 JVFLWHZTPSKLLZ-MRVPVSSYSA-N 301.324 0.652 10 10 DCCE COC(=O)CCCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 49061973 DGKPMYBBXFWDCK-UHFFFAOYSA-N 317.319 0.785 10 10 DCCE CS(=O)(=O)CCS(=O)(=O)CCOc1ccc(N)cc1 111005285 IULFGNOLWFXJAX-UHFFFAOYSA-N 307.393 0.107 10 10 DCCE CS(=O)(=O)CC[S@](=O)CCC(=O)Nc1ccc(N)cc1 111006165 FRVLMKSBIPTSPC-IBGZPJMESA-N 318.420 0.391 10 10 DCCE Cn1nnc(Br)c1S(=O)(=O)NCCN=[N+]=[N-] 236089988 BAPOEEKTSPTZHY-UHFFFAOYSA-N 310.137 0.166 10 10 DCCE CNCc1ccc(OC)c(CS(=O)(=O)CCC(N)=O)c1 399288328 QPVPPHYWEUASPE-UHFFFAOYSA-N 300.380 0.205 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@H]1N[C@H](C)c1c(O)cccc1O 697269763 LUXLASHFWWFKKJ-KBVBSXBZSA-N 301.364 0.560 10 10 DCCE COc1ccc(O)c(CN2CCC[C@H]2CS(N)(=O)=O)c1 775697114 UQEQRRSDOQYMAQ-NSHDSACASA-N 300.380 0.654 10 10 DCCE CCON(C)C(=O)CNC(=O)NCc1cccc(OC)c1O 845567712 ZZWDPOYOQLKLMQ-UHFFFAOYSA-N 311.338 0.610 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 855452976 UNFOQGJVIHNJKA-XGLCWEIGSA-N 307.302 0.558 10 10 DCCE C[C@H]1[C@@H](O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 1297978121 ZUVVYHGZACYGSW-KWQFWETISA-N 314.363 0.359 10 10 DCCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cnco2)cc1C 1482753163 HXDJQDJCXXVFBZ-CYBMUJFWSA-N 319.361 0.872 10 10 DCCE CN1C(=O)CN(NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 1545869616 RZHXQDHJDWMROR-UHFFFAOYSA-N 321.314 0.851 10 10 DCCE COC(=O)c1cn(CC(=O)NCc2cc(Cl)ccc2O)nn1 1583821102 UNXAUQBYBSIPNH-UHFFFAOYSA-N 324.724 0.740 10 10 DCCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1C 1633341497 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300.380 0.142 10 10 DCCE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 1446976173 XWGCMIMULSGXAY-FZMZJTMJSA-N 322.361 0.392 10 10 DCCE CC(C)(CNS(C)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 1645054693 YAUDDCHIABROGR-UHFFFAOYSA-N 316.379 0.084 10 10 DCCE CN(C)c1ccc(/C=c2\sc3nc(CCN)nn3c2=O)cc1 1857924758 QRZSLPGNMHFYCF-XFXZXTDPSA-N 315.402 0.266 10 10 DCCE CS(=O)(=O)[C@H]1COC[C@@H]1NCc1cccc(Cl)c1O 2142466764 KYUFCHZLONIZLD-QWRGUYRKSA-N 305.783 0.947 10 10 DCCE CS(=O)(=O)CS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 129938334 JEFYXZPMZCYVGX-UHFFFAOYSA-N 318.420 0.565 10 10 DCCE Nc1ccc(OCCNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 63130311 FFFSSUOFEXJEEC-NSHDSACASA-N 312.391 0.589 10 10 DCCE OCCN1CC2(CCNCC2)Nc2cc3c(cc21)OCCO3 76931002 SMQURBGIRWBPEU-UHFFFAOYSA-N 305.378 0.804 10 10 DCCE CC(=O)C(=O)COC(=O)c1c(C)nn(C)c1-n1cc(C)cn1 808538891 KAJITKHQQUITFV-UHFFFAOYSA-N 304.306 0.538 10 10 DCCE COc1cccc(CNC(=O)C(=O)Nc2nn(C)cc2C)c1O 850378261 VRYAZJHZHYQFQI-UHFFFAOYSA-N 318.333 0.698 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CN3CCOCC3)C2)cc1 855231526 BOOQEFZBAILFIF-CQSZACIVSA-N 319.405 0.722 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 860311384 PYVXIZDGKPNREP-UHFFFAOYSA-N 321.207 0.773 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](O)[C@H](CO)C2)cc1 1654751768 NYTLGQQWAUISJW-HOCLYGCPSA-N 321.421 0.044 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](CCCO)C3)c2n1 2062802722 TYKKIXSVQXSNBX-NSHDSACASA-N 304.350 0.978 10 10 DCCE CCS(=O)(=O)CCN(C)C(=O)c1cc(O)c(O)c(O)c1 2188926135 XNCBXCMBEYMXJZ-UHFFFAOYSA-N 303.336 0.310 10 10 DCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2203005723 ATWFUSXVMYQXTN-NWDGAFQWSA-N 316.810 0.924 10 10 DCCE CSc1ncc(CNS(=O)(=O)N2CCC(O)CC2)s1 2269126218 XOOQBRHPKKAKQQ-UHFFFAOYSA-N 323.465 0.656 10 10 DCCE C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)C=[N+]=[N-] 4843834 NMOBLFPBMXXKCB-DTWKUNHWSA-N 314.301 0.046 10 10 DCCE COC(=O)N1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 40348028 XQNPNVWCFSZKKI-UHFFFAOYSA-N 313.379 0.483 10 10 DCCE 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CN(C(=O)C[S@](=O)CCC[S@](C)=O)c1ccc(N)cc1 319421081 ILEJRKJFKVDNRA-VQTJNVASSA-N 316.448 0.749 10 10 DCCE C[C@H](NS(=O)(=O)N1CCC(O)CC1)c1ccccc1O 2192622826 BXORJIQIRFHGNQ-JTQLQIEISA-N 300.380 0.744 10 10 DCCE COc1ccc(N(C)CCN(C)S(C)(=O)=O)c(C=O)c1 2235983429 OLBFSTNGUMMAPJ-UHFFFAOYSA-N 300.380 0.835 10 10 DCCE CO[C@@H](CNC(=O)NCc1cnc(SC)s1)C(=O)O 2269118597 KGGMFJLPBICRCM-ZETCQYMHSA-N 305.381 0.764 10 10 DCCE COC(=O)C1(CS(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)CC1 2290100058 JXCJVNWOUFITBF-SECBINFHSA-N 302.356 0.902 10 10 DCCE CSc1ncc(CNC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)s1 2284502857 ZHZCRYNWIQBPEH-HTRCEHHLSA-N 317.392 0.594 10 10 DCCE CN(C)c1ccc(CNC(=O)CNS(C)(=O)=O)cc1F 58971582 SAVFHPIBLKDKSK-UHFFFAOYSA-N 303.359 0.057 10 10 DCCE COC(=O)NS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366928242 LCQKDJQPQAIBMA-UHFFFAOYSA-N 302.308 0.057 10 10 DCCE O=C(O)CN(Cc1ccc(O)c(O)c1)[C@H]1CCS(=O)(=O)C1 86737166 BLAZTCVPICHQHM-JTQLQIEISA-N 315.347 0.172 10 10 DCCE COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H]1C 95017193 WHLUOMVTGDYVMS-MFKMUULPSA-N 312.391 0.840 10 10 DCCE COc1cccc(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c1O 845834069 QGKXLGTYICWYCC-BMDWNORCSA-N 316.357 0.932 10 10 DCCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927033281 OOWJEPBPXDJNFU-RISCZKNCSA-N 300.424 0.809 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3COCO3)C2)cc1 923186790 VEITYQCNGNHINW-WFASDCNBSA-N 321.377 0.946 10 10 DCCE COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)O1 863305982 MJSAZMWAVWDEAE-DVJZZOLTSA-N 323.345 0.580 10 10 DCCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@@H](CCF)C1 1328862866 ZCBPDUDGSQXQMS-ZDUSSCGKSA-N 324.352 0.938 10 10 DCCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)OC)cc1C 1331680344 BQESOMSQHKQUOO-OCCSQVGLSA-N 310.394 0.605 10 10 DCCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCCC[C@H]1O 1348666671 NTLJLHAHYCBKNC-UKRRQHHQSA-N 318.373 0.996 10 10 DCCE CS(=O)(=O)c1cccnc1C(=O)NCc1ccc(O)cc1O 1451768266 MWCSHWLNXYZHJJ-UHFFFAOYSA-N 322.342 0.826 10 10 DCCE C[C@H](NC(=O)NCc1cn(C)c(=O)nc1O)c1ccccc1O 1479610303 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DCCE Cc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)c(O)c1O 179500563 PEWHJXBGLRAAHS-LBPRGKRZSA-N 306.362 0.999 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860243332 KKPGKUKMCZEJTJ-NFFDBFGFSA-N 319.313 0.435 10 10 DCCE O=c1n(Cc2ccc(N3CCOCC3)cc2)nnn1C1CC1 877883026 JORZMTFWPQWMGA-UHFFFAOYSA-N 301.350 0.660 10 10 DCCE COc1cccc(CNC(=O)NCC2(CC(N)=O)CC2)c1O 1230248709 CUJGMMBOTDHVEO-UHFFFAOYSA-N 307.350 0.856 10 10 DCCE CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CCC1=O 1327415966 ROSMSKFSWRSISP-UHFFFAOYSA-N 319.361 0.041 10 10 DCCE CN(C[C@H]1COCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348661943 KJCFPVSZFXVNSH-LBPRGKRZSA-N 320.345 0.108 10 10 DCCE CN1C(=O)C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 1467486191 VTMRPEGEALHGQM-ZETCQYMHSA-N 320.326 0.800 10 10 DCCE CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1ccccc1O 1595800106 NNTAKAMQZXBFMU-UHFFFAOYSA-N 309.347 0.543 10 10 DCCE NC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccn1 1624831623 KNFIOOYKYHZNOO-KEDPEKRHSA-N 313.313 0.849 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2nnc(O)n2C1 1636021956 AGVWYRSFDMUFPM-JTQLQIEISA-N 318.333 0.316 10 10 DCCE CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)N(C)C)cc1 1637004705 MGEJQOBZKLUDSN-QLFBSQMISA-N 318.421 0.593 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(n2cnnn2)CC1 1640259789 DWABMQJNMJXAJH-UHFFFAOYSA-N 308.338 0.670 10 10 DCCE CN(CCCN=[N+]=[N-])C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 1912188380 PAPYQCAUEDNDLC-SNVBAGLBSA-N 303.388 0.817 10 10 DCCE Nc1ccc(CS(=O)(=O)N=S2(=O)CCOCC2)cc1 1913535290 LYLMTBMFBLNSJP-UHFFFAOYSA-N 304.393 0.597 10 10 DCCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Cl)C[C@H]1O 2197471110 AAALNYJKXWJKCY-DGCLKSJQSA-N 301.726 0.428 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)CC2CC(O)C2)ccc1O 2236168051 MOKOMDFVLMUMHS-UHFFFAOYSA-N 302.308 0.813 10 10 DCCE NCc1cc(F)c(N2C[C@H](O)[C@H](O)[C@H](CO)C2)cc1Cl 2289485421 KOFFFZVTCDANMY-AQUOVQTQSA-N 304.749 0.088 10 10 DCCE CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(C)ccc3O)C[C@@H]12 827388329 DCQFFCXGQIJRRP-CFVMTHIKSA-N 311.403 0.944 10 10 DCCE C[C@@H](N)[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1335711318 FJXJNUFZOINIQG-RISCZKNCSA-N 317.389 0.963 10 10 DCCE NC(=O)c1csc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1640714765 CHDKTQGJNAOKKS-RQOWECAXSA-N 319.342 0.983 10 10 DCCE COC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)[C@H]1CCOC1 1653864385 JXWUUTFIUBWKLO-ONGXEEELSA-N 309.318 0.653 10 10 DCCE C[C@H](NCCS(=O)(=O)CCO)c1ccc(N(C)C)cc1 1970805477 JVAYKHZWULAZJS-LBPRGKRZSA-N 300.424 0.810 10 10 DCCE CCC[S@@](N)(=O)=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 404673306 DUYLPYCOPZAHBP-LXGOIASLSA-N 302.352 0.845 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)c2n1 2063955495 DHZIBZRFQKOIEB-ZANVPECISA-N 315.377 0.956 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCCN3CC[C@@H](C)C3)c2n1 2064584234 MURLTXNXWZFVIR-SNVBAGLBSA-N 303.366 0.815 10 10 DCCE CSc1ncc(CNC(=O)N(C)C2(C(=O)O)COC2)s1 2284545045 VPSCTQHUDKRMDG-UHFFFAOYSA-N 317.392 0.860 10 10 DCCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)c1 927026608 QRGOSVVOCIFJLR-NXEZZACHSA-N 303.380 0.457 10 10 DCCE COc1ccc(N2CC[C@H](Nc3nc(N)nc(N)n3)C2)cc1 858620359 CJCKWYREZGVFMF-VIFPVBQESA-N 301.354 0.735 10 10 DCCE Nc1ccc(CCNS(=O)(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 866761414 QJBVAYIFIRQSEI-AWEZNQCLSA-N 323.418 0.494 10 10 DCCE NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775644420 GBXNRHRHRLUMFA-UHFFFAOYSA-N 301.749 0.788 10 10 DCCE NS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)o1 1471355319 FWFIELNWTWZURY-UHFFFAOYSA-N 308.315 0.789 10 10 DCCE Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc(O)cc1O 1638351851 FRLRGWSSLQJNBA-UHFFFAOYSA-N 303.318 0.947 10 10 DCCE CN(C)CCN1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1597574861 UUGXSDRWALQOQX-LLVKDONJSA-N 321.377 0.124 10 10 DCCE COc1ccc(Br)c(CNC[C@@](C)(O)CO)c1O 1970051292 OHSWCISBDFSYFI-GFCCVEGCSA-N 320.183 0.996 10 10 DCCE C[C@@H](O)c1ccc(N2CCOC[C@H]2[C@@H](O)CO)c(Cl)c1 2146323651 NLNQLMXENFAQST-IIMNLJJBSA-N 301.770 0.952 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(F)c(F)c1O 703286117 NADSTSYRNSAPMF-ZJUUUORDSA-N 307.318 0.572 10 10 DCCE O=S1(=O)CCN(Cc2c(O)cccc2F)C2(CNC2)C1 2183492557 RVOLZRFBFZOLPC-UHFFFAOYSA-N 300.355 0.104 10 10 DCCE Nc1ccc(CS(=O)(=O)N2C[C@@H](N)CC(F)(F)C2)cc1 2191635268 RZVLRMPFIWZGMT-NSHDSACASA-N 305.350 0.767 10 10 DCCE COc1cc(N(C)CCS(=O)(=O)N(C)C)ccc1CO 2204558574 FCDNKCJOWSXGCU-UHFFFAOYSA-N 302.396 0.515 10 10 DCCE CCC1(CS(=O)(=O)NCc2cc(N)ccc2O)COC1 2287119201 ITAJRNMQHYYPMZ-UHFFFAOYSA-N 300.380 0.820 10 10 DCCE CNCc1ccc(OC)c(C[S@](=O)CCS(C)(=O)=O)c1 81992934 OJHGIVSMJWMFRG-IBGZPJMESA-N 319.448 0.708 10 10 DCCE NC(=O)CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 108693191 XEBVJOAUPJGFLO-VMPITWQZSA-N 317.389 0.918 10 10 DCCE O=C(N[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(O)c1O 187114769 CMGSAAFJJUKMKM-ZETCQYMHSA-N 318.251 0.991 10 10 DCCE COCCN1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1=O 190793571 IBGQJWZZYLUDFE-UHFFFAOYSA-N 323.349 0.981 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)c1[nH]nc2c1CNCC2 262769525 IMYPABFSBDTIMP-UHFFFAOYSA-N 302.334 0.439 10 10 DCCE CS(=O)(=O)N1CCC(NCCCN=[N+]=[N-])(C(=O)O)CC1 312369457 IBCHCSHJHOODIL-UHFFFAOYSA-N 305.360 0.155 10 10 DCCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)O1 860242299 YLWWAJZXMJGHFB-NEPJUHHUSA-N 309.318 0.738 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1ccncc1 1138329267 OIHWCBXPLSANIX-ZDUSSCGKSA-N 302.330 0.755 10 10 DCCE COc1ccc(N2CCC(NC(=O)C3(O)COC3)CC2)cc1 1542703965 KNUKCCFQOXJTBS-UHFFFAOYSA-N 306.362 0.542 10 10 DCCE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(O)c(O)c1 1610918139 JCFGLPPZSCPGME-NSHDSACASA-N 319.317 0.264 10 10 DCCE CN1C[C@@H](O)[C@H](NCc2c(O)cccc2Br)C1 1942696416 QKRLMIPLONCPKP-ZYHUDNBSSA-N 301.184 0.919 10 10 DCCE COc1cccc(CN(C)CCN(C)S(C)(=O)=O)c1O 1971682963 MVQHOVQWGDULSF-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE CC[C@@H](N)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 2191629754 QYOQWTQATLOGGL-LLVKDONJSA-N 301.412 0.647 10 10 DCCE COC(=O)CN(C)S(=O)(=O)N[C@@H](C)c1ccccc1O 2192617223 GEAMKCCGPOSOCL-VIFPVBQESA-N 302.352 0.392 10 10 DCCE O=C(O)[C@]1(O)CCN(Cc2cc(Cl)ccc2O)C[C@H]1O 2197474217 PQVJVPUDSTYLNN-YPMHNXCESA-N 301.726 0.428 10 10 DCCE CS(=O)(=O)C1(C[S@@](=O)CCOc2ccc(N)cc2)CC1 2237875481 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302.396 0.994 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Br 316267206 GVLJGNJJBHWJGT-MFKMUULPSA-N 315.211 0.958 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCC[S@](=O)CC2)cc1 321683752 SITJYPAETMSHQL-SFHVURJKSA-N 302.421 0.553 10 10 DCCE COc1ccc(-n2cc(O)c(C(=O)OCC(=O)C(C)=O)n2)cc1 808548227 ZIHMARRJOYUWRN-UHFFFAOYSA-N 318.285 0.901 10 10 DCCE COC(=O)COCC(=O)NCc1ccc2cccnc2c1O 862026749 ZCHWIXNPDKSTIS-UHFFFAOYSA-N 304.302 0.746 10 10 DCCE CN1C(=O)C(=Cc2ccc(S(C)(=O)=O)cc2)C(=O)N(C)C1=O 918154218 HBZCVOBUCUJWTB-UHFFFAOYSA-N 322.342 0.524 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)cc1 1457243492 KJUCGPIFGBQNAC-NEPJUHHUSA-N 320.349 0.912 10 10 DCCE COc1ccc(CNC(=O)C2=C3CCCN=C3NN2)c(O)c1 1556354763 TVQFEMPYSGLWGC-UHFFFAOYSA-N 302.334 0.571 10 10 DCCE COc1cccc(CNC(=O)Cn2c(C)cc(C)nc2=O)c1O 1622772801 IBIGFVCXNIFSAB-UHFFFAOYSA-N 317.345 0.891 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCc1nc([C@H]2CCCO2)n[nH]1 1627746038 IDHSGULYGZUBPL-GFCCVEGCSA-N 318.333 0.926 10 10 DCCE NC(=O)N1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1638777621 PRZWJENTKKLISI-QMMMGPOBSA-N 311.313 0.757 10 10 DCCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3[C@@H](C2=O)C3(F)F)cc1 2191768033 GDCMCGLORXDITF-ZJUUUORDSA-N 302.302 0.822 10 10 DCCE O=C(O)[C@H]1CN(Cc2c(O)cccc2Cl)CCS1(=O)=O 2197722702 JVPSSXCLCQNNRK-LLVKDONJSA-N 319.766 0.729 10 10 DCCE COCCS(=O)(=O)CCN[C@H](C)c1c(O)cccc1O 2204665354 ARHDKOXWTUOCHU-SNVBAGLBSA-N 303.380 0.810 10 10 DCCE Nc1ccc(CCC(=O)NCCS(=O)(=O)C(F)F)cc1 2232499239 WAFUQOQGBGBPRS-UHFFFAOYSA-N 306.334 0.955 10 10 DCCE CN1CCc2cc(CNCC3CN(S(C)(=O)=O)C3)ccc21 189697423 BLRLEYIVYJTUMM-UHFFFAOYSA-N 309.435 0.660 10 10 DCCE CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 193007233 SLFBXIPBYMMEHM-IUODEOHRSA-N 323.368 0.490 10 10 DCCE CCN1CC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1=O 802533796 LBABWYMUCHFDCW-LLVKDONJSA-N 307.350 0.821 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)Cn1nnn(C2CC2)c1=O 808134229 DGJDSDYGFJUCIY-UHFFFAOYSA-N 302.382 0.930 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CNC[C@@H]3C2)cc1 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10 10 DCCE Cc1c(OC[C@H](O)CO)c(=O)ccn1Cc1ccc(N)cc1 1857920103 OGPQETLUOLOUBN-CQSZACIVSA-N 304.346 0.519 10 10 DCCE Cc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(O)c1O 271227834 ACTWRLJEUBIYNL-VIFPVBQESA-N 314.363 0.170 10 10 DCCE CN1C[C@H](NCc2cc(Br)cc(F)c2O)C(=O)N1 715720526 HZPIYYVAEWTMCV-VIFPVBQESA-N 318.146 0.729 10 10 DCCE C[C@@H](NCC1(S(N)(=O)=O)CCC1)c1ccc(O)cc1O 721569983 YGDUUJQARYRHNG-SECBINFHSA-N 300.380 0.960 10 10 DCCE Oc1cc2c(cc1CN1CC[C@H](Cn3ccnn3)C1)[C@@H](O)CO2 853526090 VIVWJLTZXJMDDD-NHYWBVRUSA-N 316.361 0.932 10 10 DCCE CN1C[C@H](C(=O)NCc2ccc3cccnc3c2O)NC1=O 862025257 QJGJZQBNBSGUBB-LLVKDONJSA-N 300.318 0.580 10 10 DCCE COc1cccc([C@H](C)NC[C@@H](O)CS(C)(=O)=O)c1O 927025997 JGVFWNXRIYGGAF-VHSXEESVSA-N 303.380 0.457 10 10 DCCE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)Cc1ccc(O)c(O)c1 1296437342 WFAPXOXBYKFPNT-RISCZKNCSA-N 309.318 0.165 10 10 DCCE CN1CCN(c2ccc(CNCc3cn(C)nn3)cc2F)CC1 1349534947 XAQDQCVMKYJWAK-UHFFFAOYSA-N 318.400 0.996 10 10 DCCE CS(=O)(=O)c1ccnc(NCCc2ccc(O)c(O)c2)n1 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301.364 0.859 10 10 DCCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3CO)c(Br)cc21 2031692630 ZPPYLINNCPKFPZ-KGFZYKRKSA-N 312.167 0.972 10 10 DCCE COc1ccc(N2CCN[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 2162677031 SCKMLVDXQATRKP-RYUDHWBXSA-N 300.355 0.410 10 10 DCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Br 2042553251 YMJYTCVZHNMVCZ-NZBQSGDWSA-N 314.179 0.872 10 10 DCCE Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2O 15271298 ZEACOKJOQLAYTD-RRFJBIMHSA-N 322.269 0.743 10 10 DCCE biogenic,in-vitro O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCO 19871532 AIKJNNAKAMTSGQ-YFHOEESVSA-N 309.709 0.389 10 10 DCCE COc1ccc(N2CCOCC2)cc1NC(=O)CCNC(C)=O 41317695 JHPUUZDVCMMEBP-UHFFFAOYSA-N 321.377 0.997 10 10 DCCE CCO[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 129097242 IJCUPNDWKMLOAS-NSHDSACASA-N 302.396 0.992 10 10 DCCE CN(C)c1ccc(CNC(=O)COCc2nncn2C)cc1 292889389 WOORTPZOIAQZRY-UHFFFAOYSA-N 303.366 0.714 10 10 DCCE NCc1cc(F)c(N2C[C@@H](O)[C@H](O)C2)cc1Br 380245670 XPESBJIWQUBVGA-GHMZBOCLSA-N 305.147 0.589 10 10 DCCE COC[C@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)OC 691362663 BXDOMKFDQNYCPE-ZDUSSCGKSA-N 302.396 0.692 10 10 DCCE Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ncc1C(N)=O 1445941631 YQJWRBNBUNWUJS-UHFFFAOYSA-N 315.329 0.873 10 10 DCCE COC(=O)c1cnn(CC(=O)NCc2c(O)cccc2O)c1 1456323589 UFPHQFYLVXWGJQ-UHFFFAOYSA-N 305.290 0.397 10 10 DCCE Cc1ccc(O)c(CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)c1 1470255312 UAGNFAJREDBOLB-UHFFFAOYSA-N 313.321 0.638 10 10 DCCE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 1876164805 HMKXLPBCJFWGSC-YYSFKGJASA-N 305.425 0.544 10 10 DCCE CS(=O)(=O)c1sccc1[C@H](NCCN=[N+]=[N-])C(N)=O 1912147754 YYIUJZXETNMRTD-ZETCQYMHSA-N 303.369 0.578 10 10 DCCE O=C1CN[C@H](c2cc(I)ccc2O)CN1 1951859373 ZDZXBBKPLYMDSY-QMMMGPOBSA-N 318.114 0.757 10 10 DCCE CC[C@H](CN)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2160435658 LIWKFLGAFNOJDS-LLVKDONJSA-N 321.424 0.537 10 10 DCCE CO[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C[C@H]1O 2187376765 YTPRVPYHHHKQFT-YNEHKIRRSA-N 300.380 0.227 10 10 DCCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1ccc(Cl)cc1O 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DCCE O=C(NCc1ccc(O)c(O)c1)C1C[C@H]2COC[C@@H](C1)C2=O 1116566170 RFIXLUJRQSDPIU-YOGCLGLASA-N 305.330 0.956 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]23CCOC3)cc1 1348619260 DBVYDACEOVYZPU-KRWDZBQOSA-N 317.389 0.760 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2nnc(O)n2C1 1636021957 AGVWYRSFDMUFPM-SNVBAGLBSA-N 318.333 0.316 10 10 DCCE Cc1cn2nc(C(=O)NCc3c(O)cccc3O)cc2c(=O)[nH]1 1647290145 NHZUJMLXLGRNAU-UHFFFAOYSA-N 314.301 0.672 10 10 DCCE CCOc1cccc(CNCC(=O)N2CCC[C@@H]2C(=O)O)c1O 1857867009 OHARRBPGQITNNN-GFCCVEGCSA-N 322.361 0.956 10 10 DCCE CN(C)c1ccc([C@H](N)[C@](C)(O)CCS(C)(=O)=O)cc1 2163130477 HUWNTYDRNHTCKF-UONOGXRCSA-N 300.424 0.938 10 10 DCCE CC(=O)O[C@H]1CO[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 38277562 LMAJKBXVWKPVDF-UKKRHICBSA-N 301.255 0.448 10 10 DCCE CNC(=O)Cn1cc(NC(=O)CSc2nccs2)cn1 48876501 PWQPVWBZMIXBGR-UHFFFAOYSA-N 311.392 0.816 10 10 DCCE C[C@H](C[S@](C)=O)NS(=O)(=O)CCOc1ccc(N)cc1 168709032 LFZWFJZIHGODFV-GIGQVBGESA-N 320.436 0.334 10 10 DCCE CCOC(=O)c1ccccc1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996369 AFGJORAXUIDBKI-JTQLQIEISA-N 319.317 0.311 10 10 DCCE CN1C[C@@H](CN)C[C@H]1c1cc(F)c(S(C)(=O)=O)cc1O 258793223 NJDTVCPNMOILTF-KCJUWKMLSA-N 302.371 0.886 10 10 DCCE CCN1CCN(CC(=O)NCCc2ccc(O)c(O)c2)CC1 762267392 JDDGLAQBWOIECW-UHFFFAOYSA-N 307.394 0.394 10 10 DCCE CN(Cc1ccccc1O)C(=O)[C@H]1CCN=C2C1=NNN2C 816889165 OLPDTAZRCSNTJC-NSHDSACASA-N 301.350 0.575 10 10 DCCE CN1CCCc2cc(CNC(=O)C(=O)NCCCN)ccc21 842149751 DMAOTKIMVPJJMG-UHFFFAOYSA-N 304.394 0.150 10 10 DCCE CN1CCN(c2ccc(CNCc3cnn(C)n3)cc2F)CC1 1347803348 XTVDFYSKWUHFQT-UHFFFAOYSA-N 318.400 0.996 10 10 DCCE CN1C(=O)CN(CC(=O)Nc2c(Cl)ccc3nonc23)C1=O 1586677008 KMSYCFOHKAMMAX-UHFFFAOYSA-N 323.696 0.709 10 10 DCCE C[C@@H](O)c1ccc(N2CCOC[C@H]2[C@H](O)CO)c(Cl)c1 2146323646 NLNQLMXENFAQST-BIGNPOOSSA-N 301.770 0.952 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](OCCO)C2)cc1 2165421877 UVSONMHNSCATIX-CYBMUJFWSA-N 300.380 0.182 10 10 DCCE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1COc1nnc(=N)[nH]n1 2210645825 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COCCN(CCOC)C(=O)CNCc1ccc(N(C)C)cc1 1857865279 DYAALXASXSBFTN-UHFFFAOYSA-N 323.437 0.964 10 10 DCCE NC(=S)CCS(=O)(=O)NCCc1ccc(O)c(O)c1 1926329475 IETWPAMEUUWCRW-UHFFFAOYSA-N 304.393 0.236 10 10 DCCE Nc1ccc(CC(=O)NCCS(=O)(=O)C(F)(F)F)cc1 1971953279 ZFBJHAOWSONPDX-UHFFFAOYSA-N 310.297 0.862 10 10 DCCE NCc1ccc(N2CC(C(N)=O)C2)c(F)c1Br 381967619 MNBYCUUWBCMSLB-UHFFFAOYSA-N 302.147 0.968 10 10 DCCE CC[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H](C)O 386721753 SFIRGQXJBPKZLB-ZWNOBZJWSA-N 302.396 0.726 10 10 DCCE COc1ccc(O)c(CNCCN2CCCS2(=O)=O)c1 405397724 OHRXBAPSLUHTEE-UHFFFAOYSA-N 300.380 0.526 10 10 DCCE NS(=O)(=O)N1CCC(NCc2cccc(Cl)c2O)CC1 705076126 OIBHYBNYRAIUDS-UHFFFAOYSA-N 319.814 0.803 10 10 DCCE COc1cccc(CNC(=O)c2cc(O)nc(N(C)C)n2)c1O 765424370 RICGSGAVXPLGDD-UHFFFAOYSA-N 318.333 0.892 10 10 DCCE CC(=O)C(=O)COC(=O)CN1C(=O)CCOc2ccccc21 808497678 USEJGGSILSEREH-UHFFFAOYSA-N 305.286 0.503 10 10 DCCE CN(C)c1ccc(/C=C/CN2CCN(C(=O)CO)CC2)cc1 835050467 RRVYUSXHTUUCJK-ONEGZZNKSA-N 303.406 0.902 10 10 DCCE Cc1ccc(C(=O)N2CCN(c3nncn3C)CC2)c(O)c1O 848305416 OAJPSTHNOPYYRF-UHFFFAOYSA-N 317.349 0.497 10 10 DCCE NC(=O)c1ccccc1NCC(=O)NCc1ccc(O)c(O)c1 1150377418 IOOJFJTXQSNCPC-UHFFFAOYSA-N 315.329 0.925 10 10 DCCE C[C@]12COC[C@H]1CN(Cc1cc(O)n3ncc(C(=O)O)c3n1)C2 1329355967 YVYQTRVCPOAEDV-PSLIRLAXSA-N 318.333 0.601 10 10 DCCE O=C(NC[C@H]1CCCS(=O)(=O)C1)c1c(F)ccc(O)c1O 1472576097 PCDDCJCBMQVQAJ-MRVPVSSYSA-N 317.338 0.792 10 10 DCCE COc1ccc(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(O)c1 1617762419 GZOJDCLWYYFHBZ-RISCZKNCSA-N 322.361 0.830 10 10 DCCE O=C(c1cccc(O)c1O)N1CC[C@H](c2cc(O)nc(O)n2)C1 1628252035 UGHLZYULROEOIZ-QMMMGPOBSA-N 317.301 0.929 10 10 DCCE CCCCS(=O)(=O)NCC(=O)NCc1ccc(O)cc1O 1630301738 JECFZVCBTBIDTL-UHFFFAOYSA-N 316.379 0.434 10 10 DCCE CNC(=O)N[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1632532736 HATJIBIJZSITBR-JOAKQRRISA-N 305.334 0.641 10 10 DCCE O=C(Cn1ccc(O)nc1=O)NCc1cc(Cl)ccc1O 1640919976 HJORGALLJLQSIH-UHFFFAOYSA-N 309.709 0.624 10 10 DCCE Nc1ccc(CS(=O)(=O)N=S2(=O)CCNCC2)cc1 1876452993 GBESQOUBXNQYME-UHFFFAOYSA-N 303.409 0.170 10 10 DCCE CS[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 2142565123 RBOYQFXLCSZSLA-VXGBXAGGSA-N 302.421 0.819 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCOCCO2)cc1 2198578344 WJWCPXCZMDXDHE-UHFFFAOYSA-N 302.352 0.241 10 10 DCCE CN([C@@H]1CCN(Cc2ccc(F)cc2O)C1)S(C)(=O)=O 2204663063 QIHOZLBYFMHBHJ-GFCCVEGCSA-N 302.371 0.997 10 10 DCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)c(Cl)c1 2234071774 WOLXTDGPDLUVEQ-ZLCVWYCYSA-N 300.786 0.917 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@H](CO)C2)c(F)c1Br 316515208 NUGXSDHUUUMDJD-WCBMZHEXSA-N 319.174 0.836 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)Cc2cnn(C)c2)c1 787132317 YNTANFUJYVYPTR-ZUZCIYMTSA-N 319.361 0.915 10 10 DCCE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)C(C)=O)CC1=O 808543258 DAWSLDTXUUEZFT-QWHCGFSZSA-N 324.377 0.021 10 10 DCCE COc1ccc(N2CCCN(C(=O)[C@H]3COC(=O)N3)CC2)cc1 822656182 NZNZZVPDNZLUMZ-CQSZACIVSA-N 319.361 0.842 10 10 DCCE COC(=O)/C=C/c1ccc(N2CC(O)(CO)C2)c([N+](=O)[O-])c1 848712992 SDCJCTRJZWHTMX-HWKANZROSA-N 308.290 0.324 10 10 DCCE COc1cccc(CNC(=O)NC[C@]2(C)CCC(=O)N2)c1O 1312827686 UCEUITBTXLAOPH-HNNXBMFYSA-N 307.350 0.869 10 10 DCCE CCC[C@H]1CNCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329566479 PMJQYDDURQGFAM-ZDUSSCGKSA-N 317.389 0.835 10 10 DCCE NS(=O)(=O)c1cc(C(=O)NCc2ccccc2O)ccn1 1566373989 PJCWMXIKLCOHIF-UHFFFAOYSA-N 307.331 0.365 10 10 DCCE COc1ccc(CNCCN(C)C(=O)[C@H]2CNC(=O)N2)cc1C 1567553686 VOWFOSXNTSRXFG-CYBMUJFWSA-N 320.393 0.233 10 10 DCCE CCOC(=O)[C@H](CC(=O)NCc1c(O)cccc1O)C(C)=O 1635847755 UIVQEXBJCCZCKU-SNVBAGLBSA-N 309.318 0.872 10 10 DCCE COc1ccc(CN[C@@H](C)CCNC(=O)CC(N)=O)cc1C 1690836215 YBLPNWKIUZRADB-LBPRGKRZSA-N 307.394 0.863 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](O)C(=O)O)CC2)cc1 1858168516 UHJKFAZKCVSKQS-FZMZJTMJSA-N 322.361 0.425 10 10 DCCE NCc1cc(F)c(N2CC(NC(N)=O)C2)cc1Br 2044812710 NPBOHTSFPUOXMP-UHFFFAOYSA-N 317.162 0.904 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@@H](O)C34CCC4)c2n1 2064644545 YLYJTKCYKPJOFS-GHMZBOCLSA-N 302.334 0.777 10 10 DCCE C[C@H](CCCn1ccc2c(c1=O)CNCC2)S(=O)(=O)O 2155523553 MKMQRKFWWCQVAU-SNVBAGLBSA-N 300.380 0.551 10 10 DCCE CSc1ncc(CNC(=O)[C@H](N)CCS(C)(=O)=O)s1 2269092597 JFCPRHGNISHYKV-MRVPVSSYSA-N 323.465 0.243 10 10 DCCE CSc1ncc(CNC(=O)N2CC(O)(CC(=O)O)C2)s1 2284543654 IBXVJPNFYAKZNU-UHFFFAOYSA-N 317.392 0.596 10 10 DCCE C[C@@H](O)c1ccc(N2C[C@H](O)[C@@H](O)[C@H](CO)C2)c(Cl)c1 2289497766 KPSAMIJBQGNRIQ-WNIABHAQSA-N 301.770 0.544 10 10 DCCE CNC(=O)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 132413554 VGJJQUFIEHCCAH-UHFFFAOYSA-N 305.378 0.870 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H](O)C[C@@H]1CO 179184079 KIGYHLAVMYKYKO-HZPDHXFCSA-N 321.421 0.139 10 10 DCCE CN(C)c1ccc([C@@H](CN)N(C)[C@H]2CCS(=O)(=O)C2)cc1 252373535 SLWQCLQAHHOZDQ-LSDHHAIUSA-N 311.451 0.871 10 10 DCCE CN(C)c1ccc(CNC(=O)COCc2nncn2C)cc1F 293196750 XMRUAXDCSUTQEU-UHFFFAOYSA-N 321.356 0.853 10 10 DCCE CCS(=O)(=O)NCCN[C@H](C)c1ccc(OC)cc1O 390096441 OEDCJWDJHIEOEC-SNVBAGLBSA-N 302.396 0.991 10 10 DCCE CCOc1cccc(CNCCCCS(N)(=O)=O)c1O 394245761 RTPNRPFTIXKFLD-UHFFFAOYSA-N 302.396 0.949 10 10 DCCE NCc1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(Br)c1 704699447 PCXQGLMCRFGMDC-QWRGUYRKSA-N 315.211 0.945 10 10 DCCE CCN(C)c1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1 839177830 RISORSNSJSYGAJ-UHFFFAOYSA-N 304.394 0.272 10 10 DCCE COC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232868 VIRZGMMUJVJTJN-LLVKDONJSA-N 307.350 0.746 10 10 DCCE CN(C)c1ccc(CNC(=O)Cn2cc(CON)nn2)cc1 881093672 FPNZZKRKADADTC-UHFFFAOYSA-N 304.354 0.051 10 10 DCCE CCOC(=O)CS(=O)(=O)NCCc1ccc(O)c(O)c1 1195991199 BHPIURDNNKXVHW-UHFFFAOYSA-N 303.336 0.123 10 10 DCCE CN(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1299246660 LRXPIPRKQJERDE-GFCCVEGCSA-N 321.377 0.903 10 10 DCCE CN(C)CC1(O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1634449081 HYENMTDRMWCDBH-UHFFFAOYSA-N 308.378 0.555 10 10 DCCE OCc1ccc(N2CC[C@H](O)[C@H](O)C2)c(Br)c1 2014980035 QYPTUCWZUNNBJO-NWDGAFQWSA-N 302.168 0.873 10 10 DCCE CC(=O)N1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2062168434 LLUOUFAJLKPARH-UHFFFAOYSA-N 317.349 0.438 10 10 DCCE CC1(CO)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2157305936 LGSHEIFHQOSZQD-UHFFFAOYSA-N 300.380 0.292 10 10 DCCE COCn1nccc1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2174354193 FHOXDMLPJQDUGC-UHFFFAOYSA-N 300.344 0.856 10 10 DCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@H](C)N)cc1Cl 2234064483 GJGVPEBEZQLXDS-ZLCVWYCYSA-N 300.786 0.917 10 10 DCCE CCOC(=O)Cc1nc(NN(C)S(C)(=O)=O)sc1C 2339779756 RNBPPCRNLQHWCU-UHFFFAOYSA-N 307.397 0.775 10 10 DCCE COCc1nc(NN(C)S(C)(=O)=O)sc1C(=O)OC 2339779867 UASMJFNITKIHCC-UHFFFAOYSA-N 309.369 0.294 10 10 DCCE COC(=O)CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 36336841 ZBROLUMIULOHCD-SECBINFHSA-N 314.363 0.574 10 10 DCCE CN(Cc1cn[nH]c1)S(=O)(=O)CCOc1ccc(N)cc1 70490927 JDFYZNDKLRMWRG-UHFFFAOYSA-N 310.379 0.833 10 10 DCCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 808520137 MPBNMWAOOSBXHR-GFCCVEGCSA-N 312.366 0.765 10 10 DCCE CN(C)c1ccc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cc1 758319544 VZBQSYBSFVIVJQ-INIZCTEOSA-N 318.421 0.979 10 10 DCCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@]1(O)CCOC1 925366039 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DCCE NCc1cc(F)c(N2CCOC[C@H]2[C@H](O)CO)cc1Cl 2177381405 MSAXIOULSFGGJP-QWHCGFSZSA-N 304.749 0.496 10 10 DCCE CN(NCc1cc2c(cc1O)OCO2)S(=O)(=O)C1CC1 2365268635 UBHJZAUHJBONHM-UHFFFAOYSA-N 300.336 0.550 10 10 DCCE C[C@H](CS(C)(=O)=O)NC(=O)NCc1c(O)cccc1F 918606895 KRJIABQMTPMGRV-MRVPVSSYSA-N 304.343 0.764 10 10 DCCE O=C(NCc1cc(Br)ccc1O)[C@]1(O)CCOC1 840455453 DPEOONZFBWLXOO-LBPRGKRZSA-N 316.151 0.922 10 10 DCCE CN1C(=O)CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O 922963569 UMAWOJYZYGMXRI-SNVBAGLBSA-N 309.297 0.478 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)cc1 855232855 YUAFPVGIAYVEPG-XJKSGUPXSA-N 319.405 0.721 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCCC3(C2)OCCO3)cc1 133613119 AVEVEMGHUXNZLF-UHFFFAOYSA-N 312.391 0.938 10 10 DCCE CN(C)C(=O)O[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1298262046 YBSIDRWAXDWNKS-NSHDSACASA-N 308.334 0.939 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2CCCCN2C1=O 1625882697 PGVATAQQNJLNFR-NWDGAFQWSA-N 304.346 0.910 10 10 DCCE COc1ccc(N2CCN(C(=O)C[C@H](N)C(=O)O)CC2)cc1 1866333545 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DCCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)COB2O 1445938267 OVUNLEMRCZNZKJ-UHFFFAOYSA-N 313.118 0.288 10 10 DCCE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)[C@H]1CCOC1 1472401302 QYOZPJBBADRBTO-JQWIXIFHSA-N 323.345 0.962 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2nnnn2CC1 1570433776 XCFAZSFCXDMDKS-ZYVOWACSSA-N 315.333 0.619 10 10 DCCE Cn1cc(C(=O)NCc2cc(Cl)ccc2O)c(O)nc1=O 1640920764 VQTHRZNQBKLKTQ-UHFFFAOYSA-N 309.709 0.775 10 10 DCCE O=S1(=O)C[C@H]2NCCN(Cc3c(O)cccc3F)[C@H]2C1 2160803968 LEPHGAYGJOTRFQ-NEPJUHHUSA-N 300.355 0.102 10 10 DCCE COC[C@@H]1C[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2174345461 VDDRXSPNYNCNRK-GXFFZTMASA-N 300.380 0.602 10 10 DCCE C[C@@](F)(CN)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236169276 XJPCHKCFKIQVHJ-SNVBAGLBSA-N 307.303 0.729 10 10 DCCE Nc1ccc(CS(=O)(=O)NCCC(=O)N2CCCC2)cc1 123587695 HHZYLXILESYGGC-UHFFFAOYSA-N 311.407 0.701 10 10 DCCE COc1ccc(N2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)cc1 171018504 UAMPIQWUIGAOHF-LBPRGKRZSA-N 317.389 0.916 10 10 DCCE COC(=O)CCN1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 279861333 PZZRITZPZTYEAJ-NSHDSACASA-N 322.361 0.807 10 10 DCCE C[C@H](C[S@](C)=O)N(C)C[C@@H](O)COc1ccc(N)cc1 398875247 BNJUQNMLYOWJIR-YZRASEIHSA-N 300.424 0.707 10 10 DCCE COC(=O)C(F)(F)[C@@H](NC(=N)N)c1cc([N+](=O)[O-])ccc1O 575245850 RVQSXIBPXGFJCO-QMMMGPOBSA-N 318.236 0.633 10 10 DCCE C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)NC(N)=O 654847056 ZQKRZLKNQRLUNG-JTQLQIEISA-N 306.366 0.925 10 10 DCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)C[C@H](N)C(=O)O 701192644 KTLLYHJRDPZCLC-SCZZXKLOSA-N 302.352 0.127 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)COCC(=O)O)C2)cc1 852954531 KQWCMHYBRZKPAA-LLVKDONJSA-N 308.334 0.491 10 10 DCCE CCN1C[C@@H](S(=O)(=O)N(C)Cc2ccccc2O)CC1=O 866835096 UUNVDVSRDQVYJB-LBPRGKRZSA-N 312.391 0.775 10 10 DCCE CCN(CC)S(=O)(=O)CC(=O)N1Cc2cccc(O)c2C1 871202493 JKXBEURKCSLOGJ-UHFFFAOYSA-N 312.391 0.906 10 10 DCCE CN(CCN(C)C1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332062014 SVXNBWAXODSQJY-UHFFFAOYSA-N 317.389 0.787 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(N)n[nH]2)c1 1471102977 RAUORLXLMMKPFI-SSDOTTSWSA-N 306.326 0.662 10 10 DCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](C)N1CCOCC1 1565664723 OIEWMPOUHQYLDX-NWDGAFQWSA-N 308.378 0.866 10 10 DCCE COC[C@@H](NCc1c(O)cccc1Br)C(N)=O 1947017227 PUWYLICFVVOFST-SECBINFHSA-N 303.156 0.745 10 10 DCCE CNCc1ccc(N2CC([C@@H](O)CO)C2)cc1Br 2315143651 IDJTYIHHZFXUDA-ZDUSSCGKSA-N 315.211 0.958 10 10 DCCE CN(Nc1nc([C@@H](N)C(=O)O)cs1)S(=O)(=O)C1CCC1 2365273960 UBWFANNQENRACI-MRVPVSSYSA-N 320.396 0.369 10 10 DCCE CNCc1ccc(OC)c(CS(=O)(=O)CC(=O)NC)c1 383450450 AOOAXOANXNKYQQ-UHFFFAOYSA-N 300.380 0.075 10 10 DCCE O=C(NCCn1nc(C2CC2)ccc1=O)c1cc(O)nc(O)c1 585410595 OMYLQQSQGXSPKW-UHFFFAOYSA-N 316.317 0.357 10 10 DCCE NS(=O)(=O)CCCNCc1c(O)cccc1Br 706843348 SIJGABPRCFMWIT-UHFFFAOYSA-N 323.212 0.923 10 10 DCCE CC(=O)C(=O)COC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 808504423 BMDZNEDHCBDPCI-UHFFFAOYSA-N 316.313 0.866 10 10 DCCE O=C(C(=O)N1C[C@H]2C[C@@]2(CO)C1)N1Cc2cccc(O)c2C1 1119018975 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CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 900254724 MWASHCYCOOZZDV-CQSZACIVSA-N 324.446 0.988 10 10 DCCE CS(=O)(=O)CCNC(=S)N1Cc2cccc(O)c2C1 865258781 NLFDODJRPKVLSH-UHFFFAOYSA-N 300.405 0.627 10 10 DCCE O=C1OCC[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)CCN12 768465475 NYIOFZBJZRBKDO-BXUZGUMPSA-N 320.345 0.845 10 10 DCCE CC(C)(CO)CNS(=O)(=O)CCOc1ccc(N)cc1 160043653 MHTUEWXFVGZCTL-UHFFFAOYSA-N 302.396 0.586 10 10 DCCE O=C(CS(=O)(=O)C[C@@H]1CCCO1)c1ccc(O)c(O)c1 2145893306 AWZFJPRJZQHQSH-JTQLQIEISA-N 300.332 0.874 10 10 DCCE CS(=O)(=O)N1CCC[C@@H](NCc2ccc(O)cc2O)C1 400212750 KIYOUEUEDFAVTF-LLVKDONJSA-N 300.380 0.611 10 10 DCCE COC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@@H](S(C)(=O)=O)C1 2160815329 CLZMOLSJIRONTE-MWLCHTKSSA-N 304.372 0.785 10 10 DCCE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1ccc(N)cc1 688510434 FKROGELNYBOLEO-SNVBAGLBSA-N 320.436 0.464 10 10 DCCE Nc1ccc(CS(=O)(=O)N=S2(=O)CCC(N)CC2)cc1 2191527702 ZRAPXEWUJCVWOX-UHFFFAOYSA-N 317.436 0.688 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCNCC(F)(F)C2)cc1 2191770430 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10 10 DCCE CCC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 41428749 RCYSJRSBAMMMTD-UHFFFAOYSA-N 305.378 0.870 10 10 DCCE O=S1(=O)C=C[C@H](NCc2ccc(N3CCOCC3)cc2)C1 88855783 CUQXWANKJPBFFD-AWEZNQCLSA-N 308.403 0.924 10 10 DCCE CCCNCc1ccc(N(CC(N)=O)CC(N)=O)c(Cl)c1 164054571 IRCUGKVGXAZBEL-UHFFFAOYSA-N 312.801 0.617 10 10 DCCE COC[C@@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 294023456 WVTJNPBYDFQYBJ-JTQLQIEISA-N 314.363 0.625 10 10 DCCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](CO)O1 391083099 PBZWFUCPJHHSIP-DTWKUNHWSA-N 323.305 0.512 10 10 DCCE CN(CCN1CCCS1(=O)=O)C(=O)c1cccc(O)c1O 790826219 JDSQIKWXEZKPNP-UHFFFAOYSA-N 314.363 0.205 10 10 DCCE COc1ccc(N2CCN([C@@H]3CCC(=O)NC3=O)CC2)cc1 799106953 IFNAPIKOEXGFBF-CQSZACIVSA-N 303.362 0.622 10 10 DCCE COc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1 843427658 BBRLILDTGHGOMP-LBPRGKRZSA-N 307.394 0.953 10 10 DCCE CN(C)c1ccc([C@@H](N)CNC(=O)CC(F)(F)CN)cc1 846664133 VDZMDZRUCWSABQ-LBPRGKRZSA-N 300.353 0.853 10 10 DCCE CS(=O)(=O)C[C@@H](O)CNCc1c(O)ccc(Cl)c1F 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10 10 DCCE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)Cc1ccc(O)c(O)c1 1595348705 WCXVSRBQHXAJJF-VXGBXAGGSA-N 323.345 0.867 10 10 DCCE O=C(CCC(=O)N1CCC(O)CC1)NCc1cc(O)ccc1O 1637126472 ZVCUCIUDPGMYAR-UHFFFAOYSA-N 322.361 0.478 10 10 DCCE O=C(NC[C@@H]1CCCS1(=O)=O)c1c(F)ccc(O)c1O 1641563459 AVPMOYUBXFKXMX-ZETCQYMHSA-N 303.311 0.544 10 10 DCCE O=C(O)C1CCN(C(=O)CCN2C(=O)CSC2=S)CC1 1865766023 ROGYFGCVLKQFGD-UHFFFAOYSA-N 316.404 0.560 10 10 DCCE CN1CCC[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 70490742 CYFHZLQJNUVLHC-ZDUSSCGKSA-N 313.423 0.661 10 10 DCCE COc1cc2c(c(OC)c1OC)C(=O)NCCN2CC(=O)O 527431827 ASRZXHCAVFRZGB-UHFFFAOYSA-N 310.306 0.347 10 10 DCCE CS(=O)(=O)CCCS(=O)(=O)NCCc1ccc(N)cc1 842823226 QDQGMBSGKLNEBR-UHFFFAOYSA-N 320.436 0.165 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)cc1 855232604 SKVJAMWGCDSRSY-STQMWFEESA-N 317.389 0.868 10 10 DCCE CO[C@]1(C)C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 694459888 XQYJIZOZGZCLKW-QWHCGFSZSA-N 300.380 0.744 10 10 DCCE O=C(C(=O)N1CCC[C@H](CO)C1)N1Cc2cccc(O)c2C1 1348573331 CXHXJQQSILYPCK-NSHDSACASA-N 304.346 0.465 10 10 DCCE CCS(=O)(=O)N1CCC(C(=O)N2CC(N=[N+]=[N-])C2)CC1 1912164057 RRDBBANUFUGNNB-UHFFFAOYSA-N 301.372 0.569 10 10 DCCE CCN(C)CCNS(=O)(=O)CCOc1ccc(N)cc1 70490850 WTRPVTRXQBCFMB-UHFFFAOYSA-N 301.412 0.519 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)C1 2161841369 TVJZQKIEAFFOAQ-GHMZBOCLSA-N 303.388 0.710 10 10 DCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(Br)c1 2042553109 XTKOLNRVIQPLNA-GHORINQJSA-N 314.179 0.872 10 10 DCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Br 2042553253 YMJYTCVZHNMVCZ-ZJNJWXDTSA-N 314.179 0.872 10 10 DCCE C[C@@H](C(=O)C=[N+]=[N-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16035195 ZDXPRZNUZSWQRJ-QMMMGPOBSA-N 312.307 0.474 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 249977377 DIPFBZILEFWRME-MGPQQGTHSA-N 312.391 0.887 10 10 DCCE NCc1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Br 698180983 NPPIJUDZMBOIEA-QWRGUYRKSA-N 301.184 0.840 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C2)cc1 855228638 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10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](O)[C@@H]3C)nc12 1654466472 APGNWTCZNPBXGQ-CABZTGNLSA-N 320.349 0.567 10 10 DCCE COc1ccc(CNCC[C@H](C)NC(=O)CC(N)=O)cc1C 1668004283 HJHIAHWDJBRJAD-LBPRGKRZSA-N 307.394 0.863 10 10 DCCE COc1ccc(CN[C@H](CNC(=O)C(N)=O)C2CC2)cc1C 1731407104 VRDJMCXRMVXNCT-CYBMUJFWSA-N 305.378 0.473 10 10 DCCE CC(=O)Nc1nnc(S(=O)(=O)N2CC(N=[N+]=[N-])C2)s1 1912192912 KYTOHDGMUHXAEU-UHFFFAOYSA-N 303.329 0.180 10 10 DCCE CO[C@@H]1COC[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2154127658 OPLCWYQZBRWOCN-WCQYABFASA-N 300.380 0.350 10 10 DCCE CC(C)SC[C@@H](NC(=O)c1cc(O)nc(O)c1)C(=O)O 2157759172 WTFKOIPPFGRTDK-MRVPVSSYSA-N 300.336 0.817 10 10 DCCE C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 834536620 KAYIKXMHLZWWJU-LLVKDONJSA-N 318.377 0.015 10 10 DCCE COC(=O)/C=C/c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 840336605 QNJISLFEJKPNMX-ACIZLPDLSA-N 322.317 0.570 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)cc1 864469656 AUGRTSSXTFFNNY-OAHLLOKOSA-N 317.389 0.870 10 10 DCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCc2nccnc2C1 1332052350 BAWOLQATYTXSNA-UHFFFAOYSA-N 324.340 0.609 10 10 DCCE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1293731377 UNZSLJCHJDGWFJ-UWVGGRQHSA-N 313.375 0.674 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COC2(CCOCC2)O1 1546254549 PJLQRUHYEUDMFE-GFCCVEGCSA-N 323.345 0.679 10 10 DCCE Cc1cc(O)cc(=O)n1CC(=O)NCc1c(O)cccc1O 1645360584 DKZOURVWPWCDED-UHFFFAOYSA-N 304.302 0.590 10 10 DCCE COC1CCN(c2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)CC1 1644746056 CHBJIGVZGJKPAU-CALCHBBNSA-N 306.406 0.839 10 10 DCCE CCCS(=O)(=O)N[C@@H](C)C(=O)NCc1ccccc1O 701155882 XPFFTFPKGIDLCL-JTQLQIEISA-N 300.380 0.726 10 10 DCCE CC(C)(CS(C)(=O)=O)NC(=O)COc1ccc(N)cc1 391458062 ZWZJYBYIJLTPOI-UHFFFAOYSA-N 300.380 0.587 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCN(C)[C@@H](C)C3)c2n1 2062778361 SWSUANWOTVAWCL-QWRGUYRKSA-N 303.366 0.956 10 10 DCCE C[P@@]1(=O)C[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)[C@@H](N)C1 2188911860 GESXIVSJBSSIJI-UAXAAPNGSA-N 300.251 0.236 10 10 DCCE COC[C@@H]1[C@@H](O)[C@H](O)CN1c1ccc([C@H](C)O)c(Cl)c1 2233865757 LNIGALCVVDZGMJ-OKVQYTGBSA-N 301.770 0.950 10 10 DCCE COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)c(OC)c1 2293115928 QDSGREYPSYTJGB-UHFFFAOYSA-N 306.343 0.960 10 10 DCCE CS(=O)(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 67794870 KHTQEGFAPSXCNW-UHFFFAOYSA-N 311.407 0.452 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)c1cn(C[C@@H]2CCOC2)nn1 528858783 CMJIOHMVGQRHMS-NSHDSACASA-N 318.333 0.656 10 10 DCCE COc1ccc(N2CC[C@@H](CNC(=O)[C@H](O)C(C)(C)O)C2)cc1 911275899 IZCARYPLOTVJPU-WFASDCNBSA-N 322.405 0.770 10 10 DCCE C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119005777 DHNJXQPBXGOKOM-AAEUAGOBSA-N 318.373 0.996 10 10 DCCE COC(=O)[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1137137086 JLBQNBQILURNHQ-NSHDSACASA-N 320.305 0.863 10 10 DCCE CSCC[C@H](NC(N)=O)C(=O)NCc1c(O)cccc1F 1303876240 XZPUZXQOMKWEHM-JTQLQIEISA-N 315.370 0.938 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)C1C[C@H]2COC[C@@H](C1)C2=O 1323115707 UCOXJQLSOKGLEG-YHWZYXNKSA-N 319.357 0.998 10 10 DCCE CC(C)Oc1ccccc1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996123 YXVXYRIJSPFTPG-JTQLQIEISA-N 305.334 0.922 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCCN3CCCCC3)c2n1 2063537220 BFNHNZILSJPYPY-UHFFFAOYSA-N 303.366 0.959 10 10 DCCE NCc1nc(CNS(=O)(=O)Cc2ccc(N)cc2)cs1 2286748276 LBUAYVJZBGOBOJ-UHFFFAOYSA-N 312.420 0.804 10 10 DCCE CCOC(=O)CCc1csc(NN(C)S(C)(=O)=O)n1 2339779510 NULQFHVSDPPGBU-UHFFFAOYSA-N 307.397 0.857 10 10 DCCE CCOc1ccc(O)c(CN(C)C[C@@H](O)CN2CCOCC2)c1 93583955 BPPUCQLOLRPHMZ-OAHLLOKOSA-N 324.421 0.916 10 10 DCCE CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O 271775423 LMAJKBXVWKPVDF-RCWTZXSCSA-N 301.255 0.448 10 10 DCCE COc1ccc(CNC(=O)[C@@H]2CSCN2C(C)=O)c(O)c1 794388595 YAANNCLGSUHZHT-LBPRGKRZSA-N 310.375 0.938 10 10 DCCE CN(CCCO)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803661300 WJQPVOYLEBGIBX-UHFFFAOYSA-N 311.357 0.349 10 10 DCCE COc1ccc(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c(O)c1 846061805 VBTGUBYOADDWJC-HZENRHAPSA-N 316.357 0.932 10 10 DCCE CN(C)CCn1nccc1C(=O)NCc1cc(O)ccc1O 1153884984 IJPGYECBAIOJLG-UHFFFAOYSA-N 304.350 0.786 10 10 DCCE CCN(CC)S(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1176748405 RPVNXGKNDOBLDQ-UHFFFAOYSA-N 316.379 0.386 10 10 DCCE C[C@@]1(CN)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1261876103 ZCUAOMAKLFYNJZ-INIZCTEOSA-N 303.362 0.432 10 10 DCCE COc1ccc(-n2nnnc2CN(C)CCN(C)C(C)=O)cc1 1568472240 WQBOMEMRHSTGTK-UHFFFAOYSA-N 318.381 0.581 10 10 DCCE CC(=O)C(=O)[C@@](C)(O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1919218558 VORRZEKCAZURHS-YGRLFVJLSA-N 301.339 0.531 10 10 DCCE NCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(F)c1Br 2068376040 GAAHCWJVQBKNER-ZJUUUORDSA-N 319.174 0.979 10 10 DCCE CSc1ncc(CNC(=O)NC[C@H](CO)C(=O)O)s1 2269100640 RPIUUOOJURLLHX-ZCFIWIBFSA-N 305.381 0.357 10 10 DCCE CSc1ncc(CNC[C@@H](O)CN2CCOCC2)s1 2269206154 YCXLLWJTPIMPJO-SNVBAGLBSA-N 303.453 0.648 10 10 DCCE COC(=O)C(C)(C)c1csc(NN(C)S(C)(=O)=O)n1 2339729828 BBUBZNJWHAJCBS-UHFFFAOYSA-N 307.397 0.812 10 10 DCCE CC(=O)NCCC(=O)N1CCc2cc(N3CCOCC3)ccc21 41316740 HOCSWBPJTYBECA-UHFFFAOYSA-N 317.389 0.939 10 10 DCCE NS(=O)(=O)CCNCc1cc(Br)ccc1O 236294794 YCTJVQXQHXXIJK-UHFFFAOYSA-N 309.185 0.533 10 10 DCCE CC(=O)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1 240784304 AXCAZAFBEMKPNC-LLVKDONJSA-N 311.363 0.518 10 10 DCCE CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C)=O)c1 808494972 UGAHNGBSVRCPON-UHFFFAOYSA-N 313.331 0.300 10 10 DCCE C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1Cc2cccc(O)c2C1 871204475 LBWJHOYSMYUZAY-OTYXRUKQSA-N 304.346 0.510 10 10 DCCE Cc1nc(O)nc(O)c1CCC(=O)NCc1cccc(O)c1O 1303193903 UIEZSJGLPGPXTF-UHFFFAOYSA-N 319.317 0.856 10 10 DCCE CCS(=O)(=O)N(C)CC(=O)NCc1cc(Cl)ccc1O 1583820816 MQVFYZMVOGPVPJ-UHFFFAOYSA-N 320.798 0.943 10 10 DCCE CCOCCOC[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1639942817 XDJHRYINAWHPKU-GFCCVEGCSA-N 313.350 0.171 10 10 DCCE O=C(NCc1c(O)cccc1O)c1cn(C[C@H]2CCOC2)nn1 1652625699 JFAXGALYPFEJAX-SNVBAGLBSA-N 318.333 0.656 10 10 DCCE O=C(c1ccc(O)c(O)c1)N1CC(CNC(=O)C(F)(F)F)C1 1982310999 DYBGFWLOFIKEDF-UHFFFAOYSA-N 318.251 0.848 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCC4(CC3)OCCO4)c2n1 2063381961 PLESKFQVWPNMTQ-UHFFFAOYSA-N 318.333 0.722 10 10 DCCE COc1cccc(O)c1CN(C)CCS(=O)(=O)N(C)C 2160700661 GEWVIUWGPVCHFH-UHFFFAOYSA-N 302.396 0.724 10 10 DCCE CNC[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 2191634999 NZZVIQOLWKVQDA-NSHDSACASA-N 301.412 0.423 10 10 DCCE CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1COc1nnc(=N)[nH]n1 2210643271 INEONURVGDHQBU-NXEZZACHSA-N 324.385 0.951 10 10 DCCE CN(CC1(O)CC1)S(=O)(=O)CCOc1ccc(N)cc1 2365795923 LXLDGPOSPIFEEJ-UHFFFAOYSA-N 300.380 0.434 10 10 DCCE N[C@@](CO)(C(=O)O)c1cc(I)ccc1O 238616278 PSTSCVKFBJJQDY-SECBINFHSA-N 323.086 0.228 10 10 DCCE COc1cccc(O)c1CN1CCC[C@]2(C1)NC(=O)NC2=O 789767890 FAECPGSDOOXUSE-OAHLLOKOSA-N 305.334 0.575 10 10 DCCE CC(=O)C(=O)COC(=O)[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 910102884 GQFBFNIGSYKOCR-BMIGLBTASA-N 311.334 0.945 10 10 DCCE O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1cccc(O)c1O 1153798999 ZZLXRIDCAAQRKT-JTQLQIEISA-N 313.375 0.929 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1CN 1335261371 HGEVTJJCUBULEZ-QWHCGFSZSA-N 319.405 0.794 10 10 DCCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](C)N1CCOCC1 1565664724 OIEWMPOUHQYLDX-RYUDHWBXSA-N 308.378 0.866 10 10 DCCE Cc1nn(C)c(C)c1C(=O)C(=O)NCc1cc(O)ccc1O 1633595147 KBNXCHZSOJZQSC-UHFFFAOYSA-N 303.318 0.947 10 10 DCCE O=C(Cn1nnc2c1CCCC2)NCc1cc(O)ccc1O 1633598952 IXGMQKPQCZEXAE-UHFFFAOYSA-N 302.334 0.885 10 10 DCCE COC(=O)c1cn(CC(=O)N[C@H](C)c2ccccc2O)nn1 1648889569 BRGGUWWFLNVOMB-SECBINFHSA-N 304.306 0.648 10 10 DCCE CC1(C)CNC[C@@H](CS(=O)(=O)Nc2ccc(O)cc2)O1 2181251124 HKVSHLCTMXAUGR-LBPRGKRZSA-N 300.380 0.901 10 10 DCCE C[C@@H](NS(=O)(=O)N1CCC[C@@H]1CO)c1ccccc1O 2192627958 WHIIAVCEMQUNGK-GHMZBOCLSA-N 300.380 0.744 10 10 DCCE C[C@H](N[C@H]1COC[C@@H]1S(C)(=O)=O)c1cc(F)ccc1O 2207474450 RWLRDWFGQFDJHF-QWRKXWFKSA-N 303.355 0.994 10 10 DCCE COC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc([C@@H](C)O)cc1Cl 2233865070 FUCRGYAMBQJAGH-ULTHFGNCSA-N 301.770 0.950 10 10 DCCE CSc1ncc(CNC[C@H]2CNCCS2(=O)=O)s1 2257111824 BSZQBWNMGCLXAQ-SECBINFHSA-N 307.466 0.341 10 10 DCCE Cc1nc(CNC(=O)c2cc(O)nc(O)c2)sc1C(=O)O 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CSc1ncc(CNC(=O)N2CCOC[C@@H]2C(=O)O)s1 2284503996 ISIISASSDIUDKM-MRVPVSSYSA-N 317.392 0.860 10 10 DCCE O=C1COC[C@@]2(CNCc3ccc4c(c3)CCO4)COCCN12 865800912 OPGVFGUCWTWWRA-QGZVFWFLSA-N 318.373 0.339 10 10 DCCE CN1CCN(c2ccc(CNC(=O)NCC3CNC3)cc2)CC1 892048202 IEVLSWITFZAFFM-UHFFFAOYSA-N 317.437 0.457 10 10 DCCE O=S1(=O)CC(C2CN(Cc3cc4c(cc3O)OCO4)C2)C1 895428705 TXRPMVSNLCVXGP-UHFFFAOYSA-N 311.359 0.597 10 10 DCCE O=C(O)[C@@]1(N2CCN(Cc3ccccc3O)CC2)CCOC1 1334005231 GUZJRYQGRBCSAE-MRXNPFEDSA-N 306.362 0.754 10 10 DCCE Cc1cnc2nc(C(=O)NCCc3ccc(O)c(O)c3)nn2c1 1545668947 CMNLKBYWIDLDDA-UHFFFAOYSA-N 313.317 0.816 10 10 DCCE Cn1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1556452769 AHBVCEFALLXWOB-UHFFFAOYSA-N 305.319 0.766 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCc1cc(O)nc(S)n1 1640609059 PNHZOGTZNDPVDC-UHFFFAOYSA-N 307.331 0.741 10 10 DCCE COC(=O)c1cnc(C(=O)NCc2cc(O)ccc2O)cn1 1651222911 RRSYJPSRVAJAHE-UHFFFAOYSA-N 303.274 0.604 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912168745 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317.301 0.444 10 10 DCCE NC(=O)C(=O)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O 207468579 PUZJCVINZSRUQX-UHFFFAOYSA-N 310.265 0.591 10 10 DCCE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)Nc1ccc(N)cc1 2151092695 QBMUMEAHIGXVPM-VIFPVBQESA-N 300.384 0.670 10 10 DCCE C[C@@H](C(N)=S)S(=O)(=O)NCCc1ccc(O)c(O)c1 2091757317 YKVNENMXMRPUNP-ZETCQYMHSA-N 304.393 0.234 10 10 DCCE NCc1ccc(N2CCNCCNCC2)cc1Br 2220631031 MSDJLEIKBILLRL-UHFFFAOYSA-N 313.243 0.907 10 10 DCCE CSc1ncc(CNC(=O)NC[C@](C)(O)CC(=O)O)s1 2284544442 PKWVHOCREBCQKF-LLVKDONJSA-N 319.408 0.890 10 10 DCCE COc1cc(OC)c(C=C2C(=O)NC(=O)N(C)C2=O)c(OC)c1 2296740127 GDNUUFQXFXQCRH-UHFFFAOYSA-N 320.301 0.804 10 10 DCCE CNCc1ccc(OC)c(CN(C)CCS(C)(=O)=O)c1 94298306 MAZZYZMNYZDMTG-UHFFFAOYSA-N 300.424 0.891 10 10 DCCE NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O 96908204 CQBHSRLUQDYPBU-UHFFFAOYSA-N 303.295 0.815 10 10 DCCE in-vivo CO[C@H]1C[C@H](CO)N(S(=O)(=O)Cc2ccc(N)cc2)C1 312445344 COXHGXQAKSXRIF-OLZOCXBDSA-N 300.380 0.180 10 10 DCCE Nc1cc2c(cc1N1CCC3(CC1)OCCO3)NC(=O)CO2 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Nc1ccc(CCNC(=O)NC[C@@H]2CCCCN2CCO)cc1 841955895 QULGLVBIWNULKL-INIZCTEOSA-N 320.437 0.957 10 10 DCCE COC[C@@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 844393712 VBNJLOHZDCNDBP-JKSUJKDBSA-N 321.421 0.450 10 10 DCCE CN(C)c1ncc(NC(=O)C(=O)NCc2ccccc2O)cn1 752398056 IHSHJXRKZHLXPJ-UHFFFAOYSA-N 315.333 0.503 10 10 DCCE CCC(CC)(NC(=O)Cc1ccc(O)c(O)c1)c1nn[nH]n1 1449024383 MYRVBGZNRVEFSP-UHFFFAOYSA-N 305.338 0.985 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ncon2)C1 1632789647 JNZZVSGMTSMFHV-GFCCVEGCSA-N 305.290 0.623 10 10 DCCE COC(=O)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 35345998 UUKYTMSPVFGYKA-GFCCVEGCSA-N 300.380 0.886 10 10 DCCE CCS(=O)(=O)C[C@](C)(O)[C@H](N)c1ccc(N(C)C)cc1 2170495149 DWJWMRVQCVDOAL-KGLIPLIRSA-N 300.424 0.938 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCn4cncc4C3)c2n1 2064221669 MESBKCIPIRKDJJ-JTQLQIEISA-N 312.333 0.685 10 10 DCCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@H]1O 2108827981 IDGLRIKVBDXNGO-QCZKYFFMSA-N 308.161 0.644 10 10 DCCE CC(C)(C)OC(=O)N1C[C@@H](COc2nnc(=N)[nH]n2)C2(CC2)C1 2210654535 VZVHFHLAWYJUMJ-VIFPVBQESA-N 322.369 0.705 10 10 DCCE CCOC(=O)c1nnc(Sc2ncc(C(N)=O)s2)o1 2225540741 RYVFJVXRVDCHEY-UHFFFAOYSA-N 300.321 0.953 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(F)c1Br 316515202 NUGXSDHUUUMDJD-PSASIEDQSA-N 319.174 0.836 10 10 DCCE COc1cc(N2CC3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1OC 817131931 VUVFAMJMGHQPOF-UHFFFAOYSA-N 309.278 0.911 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCN(C)C3=O)C2)cc1 855227949 SEIAINDRUVTDLS-SWLSCSKDSA-N 317.389 0.868 10 10 DCCE COC(=O)CCNC(=O)CCNCc1ccc(N(C)C)cc1 858292168 CWMXGJWBQLZHAA-UHFFFAOYSA-N 307.394 0.912 10 10 DCCE COc1ccc(CNC[C@]23COCCN2C(=O)COC3)cc1C 865800479 JBJGEHNTRVIKLV-QGZVFWFLSA-N 320.389 0.721 10 10 DCCE C[C@]12CN(C(=O)Cc3ccc(O)c(O)c3)C[C@]1(C)C(=O)NC2=O 1302286025 SENIHEJFOOPHIC-HZPDHXFCSA-N 318.329 0.152 10 10 DCCE CNC(=O)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1317472989 OHEQPMSQUYFVDH-UHFFFAOYSA-N 320.353 0.257 10 10 DCCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]2N1 1446079032 WNEBQLAKFNMGDG-NEPJUHHUSA-N 304.346 0.910 10 10 DCCE NC(=O)COc1ccccc1C(=O)NCc1ccc(O)cc1O 1638352198 LPEITOZNCPXCGC-UHFFFAOYSA-N 316.313 0.892 10 10 DCCE O=S1(=O)CC[C@H](S(=O)(=O)Nc2ccc(O)cc2F)C1 2089618371 IXHVWIZSOWWTQM-QMMMGPOBSA-N 309.340 0.460 10 10 DCCE CSc1ncc(CNC2(C(=O)O)COCCOC2)s1 2345800853 OZBGTKFENWBDEI-UHFFFAOYSA-N 304.393 0.825 10 10 DCCE CN(C)CCCN(C)S(=O)(=O)CCOc1ccc(N)cc1 70490902 LYBQZOJEAPIIOI-UHFFFAOYSA-N 315.439 0.861 10 10 DCCE CCN(C(=O)c1cc(O)nc(O)c1)[C@H]1CCS(=O)(=O)C1 170223373 SSUHGLUOTMMPJE-VIFPVBQESA-N 300.336 0.142 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC2(O)CC2)c1 785669918 JXNYATNIXNQWDU-UHFFFAOYSA-N 315.347 0.836 10 10 DCCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 808517208 ZKIHYEIEQARQAH-UHFFFAOYSA-N 318.260 0.687 10 10 DCCE CCOc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)c1 843046757 AXUVTGQANQNWSG-UHFFFAOYSA-N 307.394 0.655 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CN(C)C(C)=O)C2)cc1 855229887 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DCCE O=C1CC(C(=O)NCc2cc(Br)ccc2O)=NN1 804738696 AATOLEXSWRBQSM-UHFFFAOYSA-N 312.123 0.647 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)NCC[C@@H]2CCCOC2)cc1 861777541 UQLHYWPEXSJBQS-AWEZNQCLSA-N 319.405 0.860 10 10 DCCE CCNC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1628919891 ATGLKIWPRJEAMH-UHFFFAOYSA-N 307.350 0.514 10 10 DCCE C[C@@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1O 2146926646 MLPCOZJYAUVNGC-SNVBAGLBSA-N 301.412 0.740 10 10 DCCE OC[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2O)[C@H](O)[C@@H]1O 2177946816 ASSHPZJAGICICJ-SWMFJSFKSA-N 322.188 0.891 10 10 DCCE CS(=O)(=O)C1(CS(=O)(=O)Cc2ccc(N)cc2)CC1 2229547333 HQKDOUCLHQXVMV-UHFFFAOYSA-N 303.405 0.761 10 10 DCCE CCOC(=O)CS(=O)(=O)Cc1cc(CNC)ccc1OC 81977841 GEAFUJRUPXBIIL-UHFFFAOYSA-N 315.391 0.893 10 10 DCCE CS(=O)(=O)N1CCC[C@@H](NCc2ccc(O)c(O)c2)C1 400243445 XWUQLTSSUZGIKS-LLVKDONJSA-N 300.380 0.611 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)cc1 720918111 GWGDLZANFSLSBZ-KLPPZKSPSA-N 300.380 0.338 10 10 DCCE CC[C@@H]1NCC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 861736264 XFNVJPMROUYOPN-LSDHHAIUSA-N 318.421 0.626 10 10 DCCE O=C(O)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868343040 LTOGPJQXGSUMJP-SNVBAGLBSA-N 304.302 0.168 10 10 DCCE O=C1O[C@H]2CNC[C@H]2N1[C@@H]1CCN(Cc2cccc(F)c2O)C1 872255099 JPHXFWVUYPQOCT-BNOWGMLFSA-N 321.352 0.898 10 10 DCCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCCS(=O)(=O)C1 921781972 NFAJVOZUCFQEMS-SECBINFHSA-N 316.354 0.908 10 10 DCCE O=C(CNC(=O)c1ccncc1)NCc1cccc(O)c1O 1455313908 DUCZSYGCEMMRDJ-UHFFFAOYSA-N 301.302 0.539 10 10 DCCE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1469946451 KAIYPXACXAOPSW-WDEREUQCSA-N 320.305 0.909 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NC3CN(c4ccccn4)C3)c2n1 2064081139 UYWSGDDZBFUUEG-UHFFFAOYSA-N 324.344 0.757 10 10 DCCE C[C@H]1C[C@H](NCc2ccc(O)c(O)c2O)CCS1(=O)=O 2143960658 OYSUFXUEADULCP-WCBMZHEXSA-N 301.364 0.859 10 10 DCCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)[C@@H](CO)C2)c(Cl)c1 2289402454 SKLVXFQNABALCG-UMGHXEBTSA-N 300.786 0.510 10 10 DCCE Cn1nc(Br)c(=NC(=O)c2ccc(O)c(O)c2)[nH]1 2320065235 IMHJVHMPBBJSHE-UHFFFAOYSA-N 313.111 0.663 10 10 DCCE CCOC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 36337248 OBLSHFPMJMQXMQ-VIFPVBQESA-N 314.363 0.574 10 10 DCCE CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 724881298 HWPRAQJQEKMSDL-QWHCGFSZSA-N 300.380 0.492 10 10 DCCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 735073324 NEQWDXRSLVAUKW-SNVBAGLBSA-N 314.363 0.244 10 10 DCCE COc1cccc(CNC(=O)CNC(=O)c2cccnc2)c1O 767944216 CLPLNBCQPUERGX-UHFFFAOYSA-N 315.329 0.842 10 10 DCCE C[C@@H](NC(=O)NCCc1nnnn1C)c1ccc(N(C)C)cc1 773434165 RNADGEQITYURGF-LLVKDONJSA-N 317.397 0.879 10 10 DCCE CC(=O)NCC(=O)NCc1cc(Br)ccc1O 804736672 YKPPVFDLIBEDJN-UHFFFAOYSA-N 301.140 0.907 10 10 DCCE Cc1cc(CC(=O)NC[C@@H](O)C(N)=O)c(C)n1-c1ccccc1 834574177 OPZOOKRBVSPONM-OAHLLOKOSA-N 315.373 0.599 10 10 DCCE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(O)c1O 844035438 OQKABBLFQWUPPN-SNVBAGLBSA-N 307.350 0.290 10 10 DCCE C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119005778 DHNJXQPBXGOKOM-DGCLKSJQSA-N 318.373 0.996 10 10 DCCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCN2CCO[C@H]1C2 1556735803 QGTCLDQAIIPWPS-DOMZBBRYSA-N 306.362 0.572 10 10 DCCE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)Cc1ccc(N)cc1 1985781462 ZCQKNSRBOXBKHV-CYBMUJFWSA-N 323.393 0.813 10 10 DCCE C[C@H](NCCCNS(N)(=O)=O)c1ccc(N(C)C)cc1 2157526864 BBIISTYGPAASDH-NSHDSACASA-N 300.428 0.586 10 10 DCCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1CCSC1 70435973 UEKGXLQOQNOIAL-ZJUUUORDSA-N 311.359 0.963 10 10 DCCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nn[nH]n1 631561698 JDEIQLNCFDHSEX-UHFFFAOYSA-N 302.338 0.624 10 10 DCCE CO[C@@]1(CNCc2cccc(O)c2O)CCS(=O)(=O)C1 721229027 KENQKHZUTIQHMN-CYBMUJFWSA-N 301.364 0.391 10 10 DCCE CC(=O)N1CSC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 768900319 UBCMEQQPGIWGDT-NSHDSACASA-N 310.375 0.678 10 10 DCCE COc1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H]2C)c(O)c1 795357456 QAIZPLRKXDGAMO-NOZJJQNGSA-N 301.364 0.998 10 10 DCCE COc1ccc(O)c([C@H](C)NC[C@H](O)C2(O)CCOCC2)c1 930216593 LHWRBSSRFAXDAA-NHYWBVRUSA-N 311.378 0.954 10 10 DCCE COc1ccc(CN[C@H](C)CNC(=O)C2(C(N)=O)CC2)cc1C 1266967515 MKGAYIRKGJZQKD-GFCCVEGCSA-N 319.405 0.863 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)C2(C(N)=O)CC2)cc1C 1266967516 MKGAYIRKGJZQKD-LBPRGKRZSA-N 319.405 0.863 10 10 DCCE NC[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1332116200 LIWKKYUSWYCPTJ-GFCCVEGCSA-N 303.362 0.574 10 10 DCCE COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 1649040503 JFBRNWYXPUQJDE-HNNXBMFYSA-N 320.301 0.632 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)Cn2cncn2)cc1C 1662410489 PEANPSPLWBSYIM-ZDUSSCGKSA-N 317.393 0.890 10 10 DCCE C[C@@H](NS(=O)(=O)C1CS(=O)(=O)C1)c1ccccc1O 1877590038 PQWRHOQGQBIDKY-MRVPVSSYSA-N 305.377 0.170 10 10 DCCE O=S1(=O)C[C@@H]2[C@H](C1)NCCN2Cc1cc(F)ccc1O 2143712508 KWWVSGKUVUVGDT-NWDGAFQWSA-N 300.355 0.102 10 10 DCCE CS(=O)(=O)C1CN(c2cc3c(cc2F)[C@@H](O)C(=O)N3)C1 2152280812 GVBOQBKTOIQVGQ-LLVKDONJSA-N 300.311 0.044 10 10 DCCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Br 2308770703 DYLYVNAMXHHRER-KNDHEWATSA-N 313.195 0.838 10 10 DCCE COc1ccc(N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 15953267 CTPLCNMPEMBBTQ-UHFFFAOYSA-N 322.390 0.929 10 10 DCCE COC(=O)N1CCN(C(=O)Nc2cc(O)c(O)c(O)c2)CC1 217279011 ZQQZXDACBJCKCY-UHFFFAOYSA-N 311.294 0.719 10 10 DCCE C[C@@](N)(C(=O)O)c1ccc(I)c(N)c1O 238414963 OQQAFKHQJAHERM-VIFPVBQESA-N 322.102 0.838 10 10 DCCE N[C@](CO)(C(=O)O)c1cccc(I)c1O 238592861 HRMQIRZKWFFKOG-VIFPVBQESA-N 323.086 0.228 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)cc1F 294805304 BMIJMCXCWXPAIT-LBPRGKRZSA-N 323.324 0.591 10 10 DCCE CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 728014820 HVQPVLIFTJHRRO-UHFFFAOYSA-N 308.337 0.128 10 10 DCCE O=[N+]([O-])c1ccc(O)c(CNCCC2CS(=O)(=O)C2)c1 786824114 IWLMPHWTKLGFIR-UHFFFAOYSA-N 300.336 0.825 10 10 DCCE Cc1cc(N(C)C)ccc1CNC(=O)CN1CCOCC1=O 790726932 RBHQGVYFMJMLPR-UHFFFAOYSA-N 305.378 0.536 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CC3)C2)cc1 853817302 DBWUTPPEDGCAEM-LBPRGKRZSA-N 303.362 0.669 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1cncs1 1149832944 MPRWFRPIFXDVKS-SNVBAGLBSA-N 308.359 0.817 10 10 DCCE Cc1ccc(O)c(CNC(=O)NCc2cc(C(N)=O)no2)c1 1312352549 VRZPXKRXKCRTFG-UHFFFAOYSA-N 304.306 0.787 10 10 DCCE C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1ccccc1O 1587447536 VYXWPNYAHJQWIL-VIFPVBQESA-N 323.374 0.869 10 10 DCCE O=C(NCc1c(O)cccc1O)c1cn(C[C@@H]2CCOC2)nn1 1652625698 JFAXGALYPFEJAX-JTQLQIEISA-N 318.333 0.656 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)cc1 2029119611 AJNJWTNYWLBGQN-LBPRGKRZSA-N 312.391 0.793 10 10 DCCE NCc1cc(F)c(N2CCOC[C@@H]2[C@@H](O)CO)cc1Cl 2177381404 MSAXIOULSFGGJP-OLZOCXBDSA-N 304.749 0.496 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NO[C@H]2CCOC2)cc1 2193228483 SXYXQEUKDSANBY-LBPRGKRZSA-N 302.352 0.288 10 10 DCCE C[C@H](O)c1cc(F)c(N2CC(NS(C)(=O)=O)C2)c(F)c1 2194517462 YGVWCSAFCIUDRE-ZETCQYMHSA-N 306.334 0.756 10 10 DCCE CSc1ncc(CNC[C@@H]2CO[C@@H]3CNC[C@@H]3O2)s1 2269311625 KXFMSQWPFPXKSY-IEBDPFPHSA-N 301.437 0.710 10 10 DCCE Cc1cc(C(=O)NCCNC(=O)c2cc(O)c(O)c(O)c2)no1 169911868 DVNDLZZWJLUVNZ-UHFFFAOYSA-N 321.289 0.260 10 10 DCCE CS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1 1136148738 ITFMBNBOHZCNLQ-UHFFFAOYSA-N 314.363 0.252 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)N1 1332116389 NFMUOYVVLNTUIC-PHIMTYICSA-N 303.362 0.443 10 10 DCCE Cn1cc(C(=O)NCc2cccc(Cl)c2O)c(O)nc1=O 1457039198 VTHOHAUSLICUEQ-UHFFFAOYSA-N 309.709 0.775 10 10 DCCE CC(C)S(=O)(=O)CCNC(=O)Cc1ccc(O)c(O)c1 1625716801 BOGZANWFFFNAOH-UHFFFAOYSA-N 301.364 0.580 10 10 DCCE O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1c(O)cccc1O 1639292976 YGXLKUFILXRYLB-JTQLQIEISA-N 313.375 0.929 10 10 DCCE COCc1n[nH]c(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1639972420 KOROKTUZCRMKCT-HYXAFXHYSA-N 304.306 0.692 10 10 DCCE CCOC(=O)[C@@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](N)CC(C)C 1903846561 YZRCHOFKIPHQBW-NWDGAFQWSA-N 312.370 0.058 10 10 DCCE CSc1ncc(CNC(=O)N[C@@H]2COC[C@H]2C(=O)O)s1 2284536536 GEMIGUYYBXBSHN-HTQZYQBOSA-N 317.392 0.764 10 10 DCCE NCc1cc(F)c(N2C[C@@H](CO)[C@@H](O)C2)cc1Br 316187654 QQXNVQSCOYMBFJ-UFBFGSQYSA-N 319.174 0.836 10 10 DCCE COc1ccc(N2CCN(C(=O)c3cnn(C)c3N)CC2)cc1 322877091 AKKDRWNVWKHNHL-UHFFFAOYSA-N 315.377 0.973 10 10 DCCE CCS(=O)(=O)N1CCN(Cc2cccc(F)c2O)CC1 778994264 CATPTDDNONOPEA-UHFFFAOYSA-N 302.371 0.999 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 808496953 MUNHEQKTISWHSY-UHFFFAOYSA-N 318.245 0.490 10 10 DCCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCN1 827369607 FTXGLOYWUOWIPM-CQSZACIVSA-N 307.369 0.765 10 10 DCCE CCN(OC)C(=O)CNCc1ccc([N+](=O)[O-])c(OC)c1O 843431166 XPHINAROYGGPJK-UHFFFAOYSA-N 313.310 0.809 10 10 DCCE N[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1F 1119036760 MRYFKCZWKITEBM-VXGBXAGGSA-N 307.325 0.132 10 10 DCCE NCC[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1119637038 XTWVZIPBRISGGE-NSHDSACASA-N 303.362 0.432 10 10 DCCE C[C@@H](NC(=O)C1(CS(C)(=O)=O)COC1)c1ccccc1O 1347462958 FBHSOPKPEKQOCJ-SNVBAGLBSA-N 313.375 0.631 10 10 DCCE O=C(NCc1c(O)cccc1O)C1CC2(C1)CS(=O)(=O)C2 1456326589 YSANBFJJASQCRB-UHFFFAOYSA-N 311.359 0.539 10 10 DCCE COC(=O)[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCOC1 1472633867 IIWFQGDVIHPTSD-AWEZNQCLSA-N 313.281 0.546 10 10 DCCE COC(=O)c1ccn(CC(=O)NCc2ccc(O)cc2O)n1 1630306947 QDAWQGKZSQRDGY-UHFFFAOYSA-N 305.290 0.397 10 10 DCCE Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C(N)=O)n1 1637583417 DPRUWBIMIKWSIM-HWKANZROSA-N 302.290 0.582 10 10 DCCE Cc1nc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n[nH]1 1640578628 LIEGIHQRIZTISW-UHFFFAOYSA-N 317.349 0.416 10 10 DCCE C[C@H]1CN(CCNC(=O)Cc2ccc(O)c(O)c2)[C@@H](C)CO1 1645219627 WJPVEWYAKSVSDJ-RYUDHWBXSA-N 308.378 0.866 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](O)[C@@H](C)C(=O)O)CC2)cc1 1858168718 YHCTYWQEIDGQBA-RISCZKNCSA-N 322.361 0.425 10 10 DCCE CCOc1cccc(CNC[C@@H]2CCS(=O)(=O)N2)c1O 1967793361 FIDMPKFKKMZCRS-NSHDSACASA-N 300.380 0.572 10 10 DCCE NC(=O)[C@H]1OCC[C@@H]1NCc1c(O)cccc1Br 2053776754 IAPVFFIUFCHNFS-ONGXEEELSA-N 315.167 0.887 10 10 DCCE COC1CN(S(=O)(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)C1 2161942191 CRNYWMWNDBLIMB-SNVBAGLBSA-N 303.388 0.974 10 10 DCCE CC1(CS(=O)(=O)NCCc2ccc(O)c(O)c2)COC1 2287113406 KCRPYHPVTIXGIT-UHFFFAOYSA-N 301.364 0.596 10 10 DCCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1CC(=O)N(C2CC2)C1 2308001812 RQXUGFGVBUTTSC-NSHDSACASA-N 302.330 0.991 10 10 DCCE COC(=O)[C@@H]1C[C@@H]1c1csc(NN(C)S(C)(=O)=O)n1 2339731062 UWZWHRHPQRNJDK-NKWVEPMBSA-N 305.381 0.638 10 10 DCCE O=S(=O)(CCCCO)N1CCc2cc(O)c(O)cc2C1 2366850822 OYBRLBJRQRSWBW-UHFFFAOYSA-N 301.364 0.558 10 10 DCCE COc1ccc(N2CCN(C(=O)CNC(=O)C3CC3)CC2)cc1 41428752 AZOWAZCABWTNOZ-UHFFFAOYSA-N 317.389 0.870 10 10 DCCE COc1cc(N(C)CC(=O)N2CCNC2=O)cc(OC)c1OC 265976916 CHLJYLYYWILWEH-UHFFFAOYSA-N 323.349 0.700 10 10 DCCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 900254721 MWASHCYCOOZZDV-AWEZNQCLSA-N 324.446 0.988 10 10 DCCE NC(=O)[C@@H]1CC[C@H](CCC(=O)NCc2ccc(O)cc2O)O1 1451757445 MCRXUFMSHAIBJX-YPMHNXCESA-N 308.334 0.527 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)CC1OCCO1 1471650339 BMKNTDQPXMZGQY-MORRKMRCSA-N 309.318 0.351 10 10 DCCE C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)c1ccccc1O 1557966570 IEMBLECCHWEVPL-SNVBAGLBSA-N 303.318 0.510 10 10 DCCE COc1ccc(CNCCN(C)C(=O)[C@H](C)NC(N)=O)cc1C 1713586541 KKHLGCCFPIZJLW-LBPRGKRZSA-N 322.409 0.608 10 10 DCCE CN(C)c1ccc([C@H](O)[C@@H](N)CS(=O)(=O)N(C)C)cc1 2148716099 AOHDCJRLIWNTDH-STQMWFEESA-N 301.412 0.005 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CC[C@@H]1O 2178206303 RUMHMGGMWSRZNQ-CPCISQLKSA-N 302.308 0.813 10 10 DCCE CS(=O)(=O)[C@@H]1CCN(c2ccc(CO)cc2[N+](=O)[O-])C1 2179916390 HGEUPPHJYOUQIV-SNVBAGLBSA-N 300.336 0.710 10 10 DCCE C[C@H](O)[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2195316083 FTFFGHKNRQFWTC-XVKPBYJWSA-N 312.313 1.000 10 10 DCCE COC[C@@H]1[C@H](O)[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2234073010 ITUAVROFAOPTLO-AGIUHOORSA-N 304.749 0.495 10 10 DCCE CNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2COC)c(Cl)c1 2234075092 PGUUUMPVVGTLEX-MELADBBJSA-N 300.786 0.616 10 10 DCCE CSc1ncc(CN[C@H]2CCN(CC(=O)O)C2=O)s1 2269121782 RODMCXRVOQISOJ-QMMMGPOBSA-N 301.393 0.640 10 10 DCCE Cc1ccc(CNC(=O)CNCCO)c(O)c1Br 2327596228 KOZKEXQLBHSMHQ-UHFFFAOYSA-N 317.183 0.661 10 10 DCCE C[C@H](CO)CNC(=O)NCc1ccc(N2CCOCC2)cc1 54535158 UWWOKHUYXLNKFP-ZDUSSCGKSA-N 307.394 0.951 10 10 DCCE CCOC(=O)N1CCC(NC(=O)c2cc(O)nc(O)c2)CC1 170223498 RPKBUYMKPWADCN-UHFFFAOYSA-N 309.322 0.844 10 10 DCCE O=C(NCc1ccc(O)c(O)c1)C1(N2CCOCC2)CCC1 371703835 QCLCJKRZXDEMRH-UHFFFAOYSA-N 306.362 0.969 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@]1(O)CCCN(C)C1 907274979 SVPWRAHEFMZJOO-YVEFUNNKSA-N 322.405 0.992 10 10 DCCE COC(=O)c1cnc(SC[C@]2(C)NC(=O)NC2=O)s1 917778362 QMMDXVIFFLZDOC-JTQLQIEISA-N 301.349 0.620 10 10 DCCE CN1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO 931398493 PWMARTMASCMVTL-KRWDZBQOSA-N 305.422 0.632 10 10 DCCE CCCN(Cc1ccccc1O)C(=O)Cn1c(O)nnc1O 1545504913 LOTVXRYUAFEBSM-UHFFFAOYSA-N 306.322 0.834 10 10 DCCE NC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878436 BSLLALYUJGOKJM-UHFFFAOYSA-N 323.316 0.596 10 10 DCCE C[C@]1(O)CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 235762417 BBPMOPXYXOHENY-ZDUSSCGKSA-N 300.380 0.434 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)c2n1 2063575236 IGSOCJUMGUYXHC-SRVKXCTJSA-N 316.361 0.976 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)C2CCNCC2)ccc1O 2236168351 OSWFZMJIZGHMNS-UHFFFAOYSA-N 301.324 0.794 10 10 DCCE NC(=O)CN(CC(N)=O)c1ccc(CNC2CC2)cc1Cl 164054695 QTCVARLUHQEQFU-UHFFFAOYSA-N 310.785 0.369 10 10 DCCE COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NN(C)C2=O)c1 169996131 OALOJRMWAFUWAC-VIFPVBQESA-N 307.306 0.152 10 10 DCCE CC(=O)C(=O)COC(=O)c1cccc(CN2CCOCC2)c1 808519861 GYIDMFDSNTZEFQ-UHFFFAOYSA-N 305.330 0.834 10 10 DCCE COc1cc(C)cc(CNC[C@]2(OCCO)CCOC2)c1O 895251502 WKAOGWVLTDIZEE-MRXNPFEDSA-N 311.378 0.967 10 10 DCCE O=C(NCCc1ccc(O)c(O)c1)c1cn([C@@H]2CC[C@H]2O)nn1 1545668913 BBRCJJMZZLDDBR-VXGBXAGGSA-N 318.333 0.358 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H]2CCCN2C[C@@H]1CO 1558158645 FOWPXAKPXMRCOB-QWHCGFSZSA-N 306.362 0.308 10 10 DCCE CC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@H](C)N1 2065092211 KVOJIEKSHBGRID-WDEREUQCSA-N 303.366 0.956 10 10 DCCE CS(=O)(=O)[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2O)C1 2145411998 JHVVXFAJVDGBPH-VHSXEESVSA-N 301.364 0.859 10 10 DCCE C[C@@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1O 2151045538 VZQOBLQQAZESCR-SNVBAGLBSA-N 301.412 0.740 10 10 DCCE O=S1(=O)C[C@@H]2NCCN(Cc3c(O)cccc3F)[C@H]2C1 2160803975 LEPHGAYGJOTRFQ-RYUDHWBXSA-N 300.355 0.102 10 10 DCCE CSc1ncc(CNS(=O)(=O)c2nn(C)cc2N)s1 2269137257 HHQHYTLFCCFESA-UHFFFAOYSA-N 319.437 0.659 10 10 DCCE CCCCN1C(=O)NC(=O)C(=CN[C@H]2CCCC[C@H]2N)C1=O 2296116002 PSLCQCXZUWLANP-NEPJUHHUSA-N 308.382 0.608 10 10 DCCE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)N1CCOCC1 2307986263 JLIXUAGYMDAHJI-GFCCVEGCSA-N 306.362 0.948 10 10 DCCE CN(C)C(=O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255587273 CHLARWJPJFFMAI-YVMONPNESA-N 317.389 0.741 10 10 DCCE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc(O)c1O)C2 366549246 VYVOKPCVCYTGJF-MGPLVRAMSA-N 321.329 0.750 10 10 DCCE CN(C)c1ccc(CNC(=O)CN2CC(C)(C(N)=O)C2)cc1 829053841 GNQHPKVBIMBHSI-UHFFFAOYSA-N 304.394 0.176 10 10 DCCE Cc1cc(CN2CCN(CC(N)=O)C(=O)C2)ccc1N(C)C 839178158 ZLLXBDKCOFDLKF-UHFFFAOYSA-N 304.394 0.191 10 10 DCCE CCOc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 850360277 CLZSWEXDXNSFIG-JSGCOSHPSA-N 315.391 0.693 10 10 DCCE COC1(C(=O)NCc2ccc(N(C)C)cc2)CS(=O)(=O)C1 929402094 ARHQWEDFKPATNA-UHFFFAOYSA-N 312.391 0.182 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1ccncc1 1138329266 OIHWCBXPLSANIX-CYBMUJFWSA-N 302.330 0.755 10 10 DCCE Cn1nnc2c1CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1300009445 UEYNVFUKXDKERA-SNVBAGLBSA-N 302.334 0.443 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@H](CCF)C3)c2n1 2065076013 AGNKKCXBPHQJTO-SNVBAGLBSA-N 308.313 0.944 10 10 DCCE CN(CCC(=O)O)S(=O)(=O)N(C)Cc1ccc(N)cc1 2162681397 XBCDTFRDIZGQBD-UHFFFAOYSA-N 301.368 0.352 10 10 DCCE CO[C@H]1C[C@H](O)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2165318113 FLUAUPQUIBQQSX-STQMWFEESA-N 300.380 0.180 10 10 DCCE NC1CC(CS(=O)(=O)NCCc2ccc(O)c(O)c2)C1 2173378444 CVTRWLHDJGNROY-UHFFFAOYSA-N 300.380 0.297 10 10 DCCE CC(=O)N(C(=O)c1ccc(S(N)(=O)=O)o1)c1ccc(N)cc1 170225513 IKIUOJXFOMJNKA-UHFFFAOYSA-N 323.330 0.703 10 10 DCCE C[C@@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1cc(F)ccc1O 2358324793 RWLRDWFGQFDJHF-XTWCZFFVSA-N 303.355 0.994 10 10 DCCE CN1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)NC1=O 821841424 AUKMMTCOGZNUEY-CQSZACIVSA-N 302.378 0.927 10 10 DCCE O=C(C(=O)N1C[C@@H]2CCNC[C@@H]2C1)N1Cc2cccc(O)c2C1 1340100219 QEYKHPOANDRFMC-WCQYABFASA-N 315.373 0.302 10 10 DCCE COC(=O)c1cnn(CC(=O)NCc2ccc(O)cc2O)c1 1299572103 AOWYEXXNEQKVBY-UHFFFAOYSA-N 305.290 0.397 10 10 DCCE CCN(CCNCc1nnnn1-c1ccc(OC)cc1)C(C)=O 1716202272 XSRCIVQMLIXMKL-UHFFFAOYSA-N 318.381 0.629 10 10 DCCE CCCN(CCC(=O)O)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878564 HJOIERPJCUCHMD-UHFFFAOYSA-N 318.337 0.571 10 10 DCCE C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 2182277613 YINDBDRDGDMPQJ-BIMULSAOSA-N 300.380 0.336 10 10 DCCE CSc1ncc(CNC(=O)N2NC(=O)C[C@@H]2C(=O)O)s1 2284545462 ZKNCWFWZIGQYHF-ZCFIWIBFSA-N 316.364 0.265 10 10 DCCE CO[C@H]1[C@@H](C(=O)NCc2cnc(SC)s2)NC[C@H]1OC 2284631444 WOOOVXBAYVBTNX-KXUCPTDWSA-N 317.436 0.483 10 10 DCCE C[C@H](C(=O)C=[N+]=N)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 96450763 XBLLRDGPQIBFQB-MRVPVSSYSA-N 313.315 0.483 10 10 DCCE CN1CCN(C[C@@H](O)CNCc2ccc3c(c2)CCO3)CC1 818997276 WXFZOKHJXNNVHN-INIZCTEOSA-N 305.422 0.319 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CCN(C)C)C2)cc1 852844707 YWIOVLRKDZDPOJ-CJNGLKHVSA-N 320.437 0.669 10 10 DCCE Cc1ccc(O)c(CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 862758516 ARIRYLXIWVOJGL-UHFFFAOYSA-N 305.334 0.647 10 10 DCCE O=C(C(=O)N(CCCCO)C1CC1)N1Cc2cccc(O)c2C1 1329359469 AVRASXXJVPNUNW-UHFFFAOYSA-N 318.373 0.998 10 10 DCCE O=C(C(=O)N1CC[C@@H]2OCC[C@@H]2C1)N1Cc2cccc(O)c2C1 1330498132 XSGWUNCYMGKCPT-DOMZBBRYSA-N 316.357 0.872 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(C2CCC2)C1=O 1631365026 FRRQZCSYXUPDQU-LBPRGKRZSA-N 304.346 0.910 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(N[C@H]2CCOC2)C1 1647773166 ONOWFOQXTMYYDM-QQHVMHFCSA-N 304.346 0.700 10 10 DCCE C[C@H](NCc1cc(=O)n2nc(N)[nH]c2n1)c1ccccc1O 1655349284 GERFVSXDGVBXLK-QMMMGPOBSA-N 300.322 0.556 10 10 DCCE Nc1ccc(CC(=O)NCCNS(=O)(=O)C(F)F)cc1 2159531603 SAGULLKHMXEMRJ-UHFFFAOYSA-N 307.322 0.070 10 10 DCCE Cc1ccc(CNC(=N)NC(=N)N)c(O)c1Br 2307452809 PWZLIPUQMWEYJC-UHFFFAOYSA-N 300.160 0.971 10 10 DCCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CO)cc1Cl 2357916124 QHWHCPBOYIYANS-MCIONIFRSA-N 300.786 0.352 10 10 DCCE O=C1COc2cc([N+](=O)[O-])c(N3CCN(CCO)CC3)cc2N1 321285709 JIGHOWXDSCLBFL-UHFFFAOYSA-N 322.321 0.040 10 10 DCCE O=C1C[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CN1 279518022 LMCHQGYAHQRCOG-WPTTZPOMSA-N 302.330 0.850 10 10 DCCE CO[C@H](C)CCS(=O)(=O)NCCOc1ccc(N)cc1 2165538222 OXQJLKDJODHZBE-LLVKDONJSA-N 302.396 0.992 10 10 DCCE C[C@](O)(Cn1ccccc1=O)C(=O)N1Cc2cccc(O)c2C1 871204482 LFSLQHOGTCHWMM-KRWDZBQOSA-N 314.341 0.847 10 10 DCCE Nc1ccc(CS(=O)(=O)N=[S@@]2(=O)CC[C@H](N)C2)cc1 1876165126 KEGVFOIIBGRGGT-BBATYDOGSA-N 303.409 0.298 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1C(=O)CNC1=O 1140198928 YSYBSJIMHLOSRD-UHFFFAOYSA-N 312.322 0.046 10 10 DCCE O=C1N[C@]2(C(=O)NCc3c(O)cccc3O)C[C@H]3C[C@@H]1[C@H]2C3 1597573750 FKWAWHVLVMLGRO-NUARIENTSA-N 302.330 0.629 10 10 DCCE COc1ccc(NC(=O)C[C@@H]2C(=O)NN(C)C2=O)cc1Cl 169996083 QPJZEWAMDXQQIY-MRVPVSSYSA-N 311.725 0.797 10 10 DCCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)NCC(F)(F)F 157935953 AIXYJZIGYQKNPQ-UHFFFAOYSA-N 304.272 0.828 10 10 DCCE C[C@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1O 702988288 NKMHEFQUIFYBGT-VHSXEESVSA-N 300.380 0.573 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@H](N)CC(F)(F)F)cc1 2191628705 CEDUMQOSMWWBJT-JTQLQIEISA-N 311.329 0.968 10 10 DCCE CN(C(=O)COCCCS(C)(=O)=O)c1ccc(N)cc1 2295831893 XWGIIPUFCUJROK-UHFFFAOYSA-N 300.380 0.683 10 10 DCCE COC(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 298820015 YIAYRQLYYQLOPG-CQSZACIVSA-N 319.405 0.864 10 10 DCCE CC(=O)C(=O)COC(=O)c1cc(F)ccc1NS(C)(=O)=O 808502869 VMYSTKDPCUDGSC-UHFFFAOYSA-N 317.294 0.512 10 10 DCCE COc1cc(O)c(CN(C)CC(=O)N2CCNCC2)cc1OC 843044558 IZIWXWXMZGFLAX-UHFFFAOYSA-N 323.393 0.273 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]1(OCCO)CCOC1 855409812 VWEDNMYSYSSPEE-ZENLRNHISA-N 323.345 0.395 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)CSCC(N)=O)C2)cc1 855229574 AWBVRDKNTZRUSQ-NSHDSACASA-N 323.418 0.609 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3NC(=O)O[C@H]3C)C2)cc1 855223591 AXEKKXKPDZRHPW-COPLHBTASA-N 319.361 0.887 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@H](O)c3cnc[nH]3)CC2)cc1 864469941 CNMNANJCJCGATE-OAHLLOKOSA-N 316.361 0.801 10 10 DCCE COC(=O)[C@@H]1CSCCN1C(=O)Cc1ccc(O)c(O)c1 1303697459 FHWKGPFETAZZGN-JTQLQIEISA-N 311.359 0.757 10 10 DCCE Cn1nnc2c1CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1300009444 UEYNVFUKXDKERA-JTQLQIEISA-N 302.334 0.443 10 10 DCCE CO[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCOC1 1327812087 GTFCPKCAQKSTGC-GXFFZTMASA-N 307.350 0.375 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 1449079282 GZKUKSMSSNTVDE-QWHCGFSZSA-N 306.362 0.308 10 10 DCCE COC(=O)/C=C\c1ccc(N(C)C[C@H](O)CO)c([N+](=O)[O-])c1 1772908348 LQNSPSYROPVVRF-QZPNVGJNSA-N 310.306 0.570 10 10 DCCE COCC[S@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 1918087596 ONYYXXWLEYOTCH-SFHVURJKSA-N 306.409 0.843 10 10 DCCE OCc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2249569939 VOXPBIDFKICIEV-NEPJUHHUSA-N 302.168 0.873 10 10 DCCE Cc1ccc(CN2CC(N)(C(N)=O)C2)c(O)c1Br 2327619882 YGNJYMFBODPIIV-UHFFFAOYSA-N 314.183 0.462 10 10 DCCE Cc1nn(C)c(C)c1S(=O)(=O)NCc1cc(N)ccc1O 50252737 NBMWHMJMTJRERP-UHFFFAOYSA-N 310.379 0.803 10 10 DCCE C[C@]1(NC(=O)CCOc2ccc(N)cc2)CCS(=O)(=O)C1 44884342 WFWKQVXZVGICLV-AWEZNQCLSA-N 312.391 0.731 10 10 DCCE C[C@@H](N)c1ccc(N2CC(=O)NC(=O)C2)c(Br)c1 97268846 WVJSXRQQKHNDKO-SSDOTTSWSA-N 312.167 0.932 10 10 DCCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)[C@H](CO)C1CC1 2167065070 HNJZCDKQORCRJE-LLVKDONJSA-N 302.308 0.813 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)CCNC(N)=O)C2)cc1 855230229 UYQBZZULNHQYDR-LLVKDONJSA-N 306.366 0.449 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CCC1 1176724635 FXOJUPBMYIPTDV-HWKANZROSA-N 301.306 0.820 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1c1ncon1 1596186747 NIEXXZVDHYPQIH-JTQLQIEISA-N 305.290 0.623 10 10 DCCE CS(=O)(=O)CC1CN(c2ccc(CO)cc2[N+](=O)[O-])C1 2159452280 OQCZKSOEQCZSIE-UHFFFAOYSA-N 300.336 0.568 10 10 DCCE C[C@@H](CCS(C)(=O)=O)NC(=O)COc1ccc(N)cc1 2160838181 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CN(C)S(=O)(=O)CC(=O)NCc1cc(Cl)ccc1O 846473201 KEDODUJBXNMTBG-UHFFFAOYSA-N 306.771 0.553 10 10 DCCE COCCn1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1 867690226 DLVMPJQGRSHGNQ-UHFFFAOYSA-N 323.374 0.940 10 10 DCCE Cc1cc(O)c(CN2CCN(CC(N)=O)C(=O)C2)cc1Cl 1350620655 WNXQRKDYHUQUDH-UHFFFAOYSA-N 311.769 0.484 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cc(C(C)=O)nn1 1449124898 SKBNRMMPASQKOA-UHFFFAOYSA-N 323.349 0.988 10 10 DCCE CC(C)(C)S(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1633599402 ZXUGOGIMJYVBED-UHFFFAOYSA-N 301.364 0.927 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912168744 WMRBBLJQFLUULN-VHSXEESVSA-N 301.372 0.569 10 10 DCCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CO)c(Cl)c1 2201034381 OTMYAHKBCODFAA-HZSPNIEDSA-N 300.786 0.352 10 10 DCCE CSc1ncc(CNC(=O)[C@H]2Cn3cnnc3CN2)s1 2284637450 NSWJAGZEIGDUMQ-MRVPVSSYSA-N 310.408 0.245 10 10 DCCE COC(=O)c1ccc(NC=C2C(=O)NC(=O)N(C)C2=O)cc1 2297328450 XVTDRIHFPILSKA-UHFFFAOYSA-N 303.274 0.477 10 10 DCCE COc1ccc(O)c([C@@H](C)NC[C@H](O)CN2CCOCC2)c1 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DCCE O=C(NCc1c(O)cccc1O)c1cccnc1OCCO 1456325921 VDAHGGGYHGFKBF-UHFFFAOYSA-N 304.302 0.794 10 10 DCCE C/C(=C/C(=O)NCc1cc(O)ccc1O)CN1CCOCC1 1558175274 KJNDTFBWFZNETG-WQLSENKSSA-N 306.362 0.993 10 10 DCCE CC1(Cn2cc(C(=O)NCc3ccc(O)cc3O)nn2)COC1 1557085026 YWUYEURIVNIIMM-UHFFFAOYSA-N 318.333 0.656 10 10 DCCE O=C(c1cccc(O)c1O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1643236219 CUZJHVVTVQXCSV-SNVBAGLBSA-N 320.345 0.201 10 10 DCCE COc1ccc(CN[C@@H](C)CNC(=O)Cn2ncnn2)cc1C 1731591847 JIVKBXHIUYMFGG-LBPRGKRZSA-N 318.381 0.285 10 10 DCCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2C[C@H](O)C2)c1 1651307263 YXVRBSUHUZBHRL-CZMCAQCFSA-N 314.363 0.264 10 10 DCCE [N-]=[N+]=N[C@@H]1[C@H](CO)O[C@H](n2cnc3c(N)ncnc32)[C@@H]1N=[N+]=[N-] 34385505 WQZLKYFRGKFHEZ-KQQCLRPBSA-N 317.273 0.656 10 10 DCCE CN1C[C@H](CN)C[C@H]1c1cc(F)c(S(C)(=O)=O)cc1O 258793233 NJDTVCPNMOILTF-KWQFWETISA-N 302.371 0.886 10 10 DCCE CN([C@@H]1CCOC1)S(=O)(=O)CCOc1ccc(N)cc1 157979461 NRGQAMWEEPXGCJ-GFCCVEGCSA-N 300.380 0.698 10 10 DCCE O=C(O)[C@H]1CS[C@@H](C2CC2)N1C(=O)c1cc(O)nc(O)c1 111434791 GKVAROHBVCBFMC-PELKAZGASA-N 310.331 0.871 10 10 DCCE CN(C)c1ccc(CN(C)S(=O)(=O)CCCON)cc1 722230461 NHKUYKPCLUFKCV-UHFFFAOYSA-N 301.412 0.795 10 10 DCCE COc1cccc(CNC(=O)c2cnc(O)n(C)c2=O)c1O 754423893 MWMOUTODHCHGSZ-UHFFFAOYSA-N 305.290 0.130 10 10 DCCE COc1ccc(N2CCN(C(=O)CN(C)C3CNC3)CC2)cc1 844224013 LDLKSOKKSQFMRL-UHFFFAOYSA-N 318.421 0.247 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CC(N)=O)C2)cc1 854298099 VUZPDEOCFOVBAH-NWDGAFQWSA-N 320.393 0.837 10 10 DCCE C[C@@H]1NCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 861813451 UUWBCQYSAFXBOO-SWLSCSKDSA-N 318.421 0.578 10 10 DCCE Cn1cncc1[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 1470567492 AKWWDWJXYGPDMA-USEMIUTHSA-N 303.318 0.694 10 10 DCCE CS(=O)(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1650928787 CKWZWPXEABHPGX-QMMMGPOBSA-N 317.338 0.886 10 10 DCCE COc1ccc(CNC(=O)NC2CC(CC(N)=O)C2)c(O)c1 1687568717 AHBPZGLBGDNYPO-UHFFFAOYSA-N 307.350 0.854 10 10 DCCE Nc1ccc(OC[C@H](O)CN2CC[C@@H](C3OCCO3)C2)cc1 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CNFCXBGHHRRWAH-JMJZKYOTSA-N 309.318 0.251 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 842238614 UPTRWSAXRPEEKG-UHFFFAOYSA-N 316.405 0.234 10 10 DCCE C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)cc1)NC(N)=O 847381950 UQGGMARYAAVHTG-LBPRGKRZSA-N 320.393 0.586 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)C2)cc1 855227947 SEIAINDRUVTDLS-DOMZBBRYSA-N 317.389 0.868 10 10 DCCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCC(N)CC1 1330568296 SBHSQUWITMUIPW-UHFFFAOYSA-N 317.389 0.963 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)CN1 1351982836 LJCQQMNGYNDVSZ-QWRGUYRKSA-N 303.362 0.443 10 10 DCCE COCCn1cc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 1567949560 HJKWTVMYAFGVOZ-UHFFFAOYSA-N 305.334 0.800 10 10 DCCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C[C@@H](C)N1 2161237957 FARMBORPWHDGMF-DTORHVGOSA-N 303.359 0.870 10 10 DCCE N=S1(=O)CC2(CN(S(=O)(=O)Cc3ccc(N)cc3)C2)C1 2191627011 VFROGKAXJHAZCV-UHFFFAOYSA-N 315.420 0.461 10 10 DCCE C[C@H](NS(=O)(=O)N1CCC[C@@H]1CO)c1ccccc1O 2192630266 WHIIAVCEMQUNGK-WDEREUQCSA-N 300.380 0.744 10 10 DCCE CC[C@@](C)(NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(N)=O 127182404 CTDQUTTUKCQJGD-QGZVFWFLSA-N 320.437 0.955 10 10 DCCE CC(=O)O[C@H]1[C@H](C)O[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 169512957 MKZJGETUNXHZRX-DETLFLRZSA-N 315.282 0.837 10 10 DCCE Cc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1C(=O)O 689187661 ACJDQPMBUOMZHQ-NSHDSACASA-N 300.336 0.906 10 10 DCCE COc1ccc(N2CCN(C[C@@H](O)Cn3cnnc3)CC2)cc1 758184699 GPDTYYZDPSYZAS-OAHLLOKOSA-N 317.393 0.470 10 10 DCCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(F)cc1O 927024030 JXIUYUOJUYZZBH-CMPLNLGQSA-N 305.371 0.978 10 10 DCCE C[C@@]1(CO)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1118946072 QFHVPVXHKYQYAX-INIZCTEOSA-N 304.346 0.608 10 10 DCCE COC(=O)[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 1137824138 LAMHMNHUSQXUEN-ZETCQYMHSA-N 311.315 0.576 10 10 DCCE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cccc(O)c2O)C1 1456959242 RZHYTBKOECXOSO-ONGXEEELSA-N 324.333 0.277 10 10 DCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)S1(=O)=O 1637079741 ZQEJGISCZCWOBF-AOOOYVTPSA-N 313.375 0.674 10 10 DCCE CCOC(=O)C1(NCCN=[N+]=[N-])CC2(C1)CS(=O)(=O)C2 1912156678 PJTDNPZYVYPZHK-UHFFFAOYSA-N 302.356 0.397 10 10 DCCE CN(C)c1ccc(CNS(=O)(=O)C[C@@](C)(F)CN)cc1 2164487905 RCMBSBBXULBTHL-ZDUSSCGKSA-N 303.403 0.859 10 10 DCCE C[C@]1(CO)COCCN1S(=O)(=O)Cc1ccc(N)cc1 2169066419 MZDXNLARYGPDKV-ZDUSSCGKSA-N 300.380 0.182 10 10 DCCE [N-]=[N+]=NCC1(CNS(=O)(=O)C2CC3(C2)OCCO3)CC1 2252842960 GTTFEQSLPPDUEO-UHFFFAOYSA-N 302.356 0.902 10 10 DCCE COCc1nc(NN(C)S(=O)(=O)C2CC2)sc1C(=O)O 2365274098 WMOFXJAUKHWLNX-UHFFFAOYSA-N 321.380 0.739 10 10 DCCE CN(C)c1ccc(CNS(=O)(=O)c2ccc(=O)[nH]c2)cc1 40809101 CCNNWRGKFYANNA-UHFFFAOYSA-N 307.375 0.919 10 10 DCCE Nc1ccc(CS(=O)(=O)NCCSCCCO)cc1 230781257 MOCGVVKDDCWJJB-UHFFFAOYSA-N 304.437 0.804 10 10 DCCE CS(=O)(=O)N1CCC[C@H](NCc2ccc(O)cc2O)C1 400212752 KIYOUEUEDFAVTF-NSHDSACASA-N 300.380 0.611 10 10 DCCE C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(N(C)C)cc1 773009563 KTDWAHTZWYNFSJ-CABZTGNLSA-N 304.350 0.528 10 10 DCCE 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0.977 10 10 DCCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCNC1=O 851988044 RTQKVJCVBSDQQZ-AWEZNQCLSA-N 302.378 0.975 10 10 DCCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cccc(F)c1O 697034928 BICLDMKEUVBBGG-RYUDHWBXSA-N 303.355 0.775 10 10 DCCE O=C1OC[C@]2(CNCc3ccc(F)c(F)c3O)COCCN12 864053349 IYOGUAPDCMADJT-AWEZNQCLSA-N 314.288 0.981 10 10 DCCE NC(=O)[C@@H]1CNCCN1Cc1ccc(Br)cc1O 691489751 JAPYCHDHZUERQJ-JTQLQIEISA-N 314.183 0.414 10 10 DCCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H]2CCO)cc1 694962315 LPCITHIMRCYFJP-CYBMUJFWSA-N 300.380 0.182 10 10 DCCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CC(N)=O)cc1C 1717402472 GKIBYCNXLQAZTD-NWDGAFQWSA-N 307.394 0.862 10 10 DCCE CN(C)c1noc(CCC(=O)NCc2ccc(O)cc2O)n1 1639444308 GKBVMHVSMNEQBC-UHFFFAOYSA-N 306.322 0.796 10 10 DCCE O=C(NCc1ccccc1O)NC[C@@]12COCCN1C(=O)OC2 1684826536 JTNYWFSXUHKUHF-HNNXBMFYSA-N 321.333 0.413 10 10 DCCE CCOc1cccc(CNC[C@H]2CCS(=O)(=O)N2)c1O 1967793360 FIDMPKFKKMZCRS-LLVKDONJSA-N 300.380 0.572 10 10 DCCE CO[C@@H]1CNC[C@@H]1S(=O)(=O)N[C@H](C)c1ccccc1O 2192631204 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O=C1CCCCN(CC(=O)N2Cc3cccc(O)c3C2)C1=O 871199515 QOPISKHVKYJBHO-UHFFFAOYSA-N 302.330 0.816 10 10 DCCE COc1ccc(CNC[C@@H](NC(=O)C(N)=O)C2CC2)cc1C 1276647985 DLDOQKCGYOLNAW-CYBMUJFWSA-N 305.378 0.473 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnc(O)nc1O 1440668160 WFVCAMKGUHJOQY-UHFFFAOYSA-N 303.322 0.621 10 10 DCCE COc1cccc(CNC(=O)Cn2cc(C(C)=O)nn2)c1O 1465991381 CVJAMEWYVHGWCK-UHFFFAOYSA-N 304.306 0.511 10 10 DCCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2COC(=O)N2)cc1C 1732994503 JZBUVMIPWBYECB-AAEUAGOBSA-N 321.377 0.706 10 10 DCCE CN(C)CCN1C(=O)CCc2cc(N3CCNCC3)ccc21 259594042 ZXYXUALBOVJEAG-UHFFFAOYSA-N 302.422 0.937 10 10 DCCE COCCS(=O)(=O)CCNCc1ccc(N(C)C)cc1 1968438800 OQQAQGCLSYGVIQ-UHFFFAOYSA-N 300.424 0.903 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H](CO)C2)cc1 2146269558 FCTXMQDBKQFNRD-UMSPYCQHSA-N 300.380 0.338 10 10 DCCE CS(=O)(=O)Cc1noc([C@@H](N)Cc2ccc(O)c(O)c2)n1 52788500 YOZMXKUGKFKQFF-QMMMGPOBSA-N 313.335 0.268 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)c1nnc(N)s1 722272905 OFNJNNJERFIBCO-UHFFFAOYSA-N 300.365 0.647 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCCNC(=O)c1cccnc1 1141666822 BINMMDFXQDHRCO-UHFFFAOYSA-N 315.329 0.582 10 10 DCCE CCCOCCNS(=O)(=O)CCOc1ccc(N)cc1 715047157 RIJQMBJFSCRGMN-UHFFFAOYSA-N 302.396 0.994 10 10 DCCE O=C(C(=O)N1CC[C@@H](CCCO)C1)N1Cc2cccc(O)c2C1 1348653705 ZIHJMXRFVDPQLH-GFCCVEGCSA-N 318.373 0.855 10 10 DCCE CS(=O)(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 1352062817 WPSDSZDHPPNSTH-UHFFFAOYSA-N 324.402 0.906 10 10 DCCE COc1cc(C(=O)N[C@@H](C)CNC(=O)[C@H]2C[C@@H]2C)cc(OC)n1 1688171068 FBUKEQIXUOOAEC-NHCYSSNCSA-N 321.377 0.989 10 10 DCCE NCc1cc(F)c(N2CC(C(N)=O)C2)cc1Br 381967449 MDLPEFZPCCKCHT-UHFFFAOYSA-N 302.147 0.968 10 10 DCCE COC1(C(N)=O)CN(c2ccc(CN)c(Br)c2)C1 2042980496 IDTBASHHNIIPQN-UHFFFAOYSA-N 314.183 0.598 10 10 DCCE Cc1cc(NS(=O)(=O)CCO)ccc1NS(C)(=O)=O 2101595889 VQZNOKYRKGXMEO-UHFFFAOYSA-N 308.381 0.101 10 10 DCCE Cc1ccc(CN(C)C(=O)[C@@H](O)CN)c(O)c1Br 2327600888 XWEJPSVVEKXOSN-VIFPVBQESA-N 317.183 0.741 10 10 DCCE O=C(CN1CCCCS1(=O)=O)NCc1c(O)cccc1F 928711098 QFMXKARSKQBIJD-UHFFFAOYSA-N 316.354 0.573 10 10 DCCE CN(C)c1ccc(CN(C)c2cc(=O)n(C)c(=O)n2C)cc1 853093896 UBHZLFGOLCLUDP-UHFFFAOYSA-N 302.378 0.786 10 10 DCCE C[C@@H](O)c1cn(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)nn1 1153793409 VYJQJGCOPKUOPA-SECBINFHSA-N 318.333 0.369 10 10 DCCE CC[C@@]1(O)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351943899 JVEJRWUGAVRPBK-QGZVFWFLSA-N 318.373 0.998 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(N=[N+]=[N-])CC1 1912185366 OTSJGYDHCBENMX-JTQLQIEISA-N 301.372 0.712 10 10 DCCE C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nnnn1C 1648538080 ANPZRCRREQCSID-NSHDSACASA-N 317.397 0.243 10 10 DCCE C[C@H](O)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2146323191 IZVFGEZGMYFHMW-CUOATXAZSA-N 301.770 0.952 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 701322809 FTYWKBVYBMMRKC-ZJUUUORDSA-N 301.372 0.712 10 10 DCCE CS(=O)(=O)Nc1nc(CC(=O)NCCN=[N+]=[N-])cs1 701300706 FSTVUGXUZJKAAG-UHFFFAOYSA-N 304.357 0.484 10 10 DCCE CC1(C)OC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)O1 2191771706 IGLHFNNKAZVVCH-LBPRGKRZSA-N 300.380 0.840 10 10 DCCE COC(=O)CS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 49061442 MMWULYZPKFIKEE-UHFFFAOYSA-N 300.380 0.982 10 10 DCCE CCOC(=O)[C@@]1(NCCN=[N+]=[N-])CCC[C@H]1S(C)(=O)=O 90257679 ZZMBVYGAFXLPMQ-MWLCHTKSSA-N 304.372 0.785 10 10 DCCE COc1ccc(N(C)C[C@H](O)CN2CCOCC2)c(OC)c1 131731036 MFEWHGTXGSEZRC-ZDUSSCGKSA-N 310.394 0.833 10 10 DCCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C 228900503 MTEFVUOMCDVYCQ-JTQLQIEISA-N 313.423 0.991 10 10 DCCE CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)OC 298139007 NZLOIPPUSDIVKS-UHFFFAOYSA-N 307.394 0.864 10 10 DCCE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O 787662245 OXXYKUAKBJRYQN-BDAKNGLRSA-N 324.333 0.284 10 10 DCCE OC[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 839156706 ZMJPIVQDJCDDLP-QGZVFWFLSA-N 306.406 0.842 10 10 DCCE O=C(O)[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 868343033 LTOGPJQXGSUMJP-JTQLQIEISA-N 304.302 0.168 10 10 DCCE COc1ccc(N2CCCN(C(=O)[C@@H](OC)C(=O)O)CC2)cc1 901917892 NCKDSBUDUYQARR-CQSZACIVSA-N 322.361 0.834 10 10 DCCE NC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)O1 1539054664 XKMOXNRJBKYSHW-JGVFFNPUSA-N 310.697 0.848 10 10 DCCE NC(=O)c1csc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1640714763 CHDKTQGJNAOKKS-DUXPYHPUSA-N 319.342 0.983 10 10 DCCE CS(=O)(=O)c1ncc(Cl)c(C(=O)N2CC(N=[N+]=[N-])C2)n1 1912207410 LEZLVVHGXRGSKP-UHFFFAOYSA-N 316.730 0.668 10 10 DCCE C[C@H]1OCCO[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2143733344 KZOVSFLTYBTHTA-MFKMUULPSA-N 300.380 0.492 10 10 DCCE COc1ccc([C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2O)c(O)c1 2177846585 JXOWDNFXVBXVMF-LJUAHTATSA-N 301.364 0.209 10 10 DCCE O=C(O)[C@@H]1[C@H](O)[C@H](O)CCN1Cc1cc(Cl)ccc1O 2201090276 JEXAWNBKWBWLGM-GRYCIOLGSA-N 301.726 0.426 10 10 DCCE CSc1ncc(CNC(=O)N2CC[C@](O)(C(=O)O)C2)s1 2284545289 XTNRXDMLYWIUJB-LLVKDONJSA-N 317.392 0.596 10 10 DCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC(CO)C1 191304043 JTVOKHIVQJDHOS-UHFFFAOYSA-N 323.368 0.796 10 10 DCCE COc1cccc(CNS(=O)(=O)NCC(F)(F)F)c1O 195285575 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10 10 DCCE COc1cc(C)cc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 164340137 RBUDMEMGTYTDHJ-LBPRGKRZSA-N 314.407 0.833 10 10 DCCE CCN(CCCNCc1ccc(O)c(O)c1)S(C)(=O)=O 38035321 CZTGYKCUIGANPK-UHFFFAOYSA-N 302.396 0.859 10 10 DCCE CO[C@@H](C)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 312483665 URRULGYNKCMHCO-NSHDSACASA-N 302.396 0.944 10 10 DCCE NCc1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(Br)c1 316205962 SCTXHVRCPSPZDN-BXKDBHETSA-N 301.184 0.697 10 10 DCCE NC(=O)[C@@H]1OCC[C@H]1NCc1cc(Br)ccc1O 2053788904 LBXNKYHIGWXNBB-MWLCHTKSSA-N 315.167 0.887 10 10 DCCE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1COc1nnc(=N)[nH]n1 2210651112 DCXDUXKIEFIDEO-VIFPVBQESA-N 322.369 0.848 10 10 DCCE COc1ccc(O)c(CN[C@@H]2COC[C@@H]2S(C)(=O)=O)c1 2207464222 FOONADVOQQUPGI-YPMHNXCESA-N 301.364 0.302 10 10 DCCE CNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2COC)c(Cl)c1 2358565903 PGUUUMPVVGTLEX-MCIONIFRSA-N 300.786 0.616 10 10 DCCE Nc1ccc(CCNC(=O)C(=O)N2CCCSCC2)cc1 842236239 NEYHLUDTKKQBEM-UHFFFAOYSA-N 307.419 0.893 10 10 DCCE 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Cc1c[nH]c(CC(N)=O)c1C(=O)NCCc1ccc(O)c(O)c1 1622753302 QDTAJKRMMJNNHL-UHFFFAOYSA-N 317.345 0.735 10 10 DCCE C[C@H](CCS(C)(=O)=O)NC(=O)Cc1ccc(O)c(O)c1 1636147743 ZXUMQALGSJWDHO-SECBINFHSA-N 301.364 0.580 10 10 DCCE Cn1cc(CNC(=O)NCc2ccccc2O)c(O)nc1=O 1676915595 XPPZTAGBDRCHMT-UHFFFAOYSA-N 304.306 0.191 10 10 DCCE CN(C)c1ccc([C@H](NC(=O)[C@@H](N)CO)c2nccn2C)cc1 1865952378 CNDORGPSWXFEGR-KBPBESRZSA-N 317.393 0.011 10 10 DCCE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCCCN=[N+]=[N-] 1887272339 WZPBTUWUFMZOBN-VIFPVBQESA-N 301.347 0.936 10 10 DCCE CCOC(=O)[C@@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@H](N)CC(C)C 1903846562 YZRCHOFKIPHQBW-VXGBXAGGSA-N 312.370 0.058 10 10 DCCE CCS(=O)(=O)N1CCN(c2ccc(CN)cc2F)CC1 2143491050 UVAPIULZCIPEEP-UHFFFAOYSA-N 301.387 0.756 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CO)c(Cl)c1 2201032382 GKDNQCITPYNUML-NGSVMEPUSA-N 300.786 0.523 10 10 DCCE COc1cc2c(cc1OC)N1CCS(=O)(=O)C[C@@H]1C(=O)N2 97828884 CYCNPDBBDYTQJP-SNVBAGLBSA-N 312.347 0.259 10 10 DCCE 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0.631 10 10 DCCE C[C@@H]1CO[C@@H](CO)CN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 221137126 YNMPEBNFWXOYRF-OTPXZMOZSA-N 311.769 0.878 10 10 DCCE CC(=O)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1Cl 808514560 JDCFKMCRERHFHL-UHFFFAOYSA-N 308.681 0.631 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc12 808514214 WGNKABXNZALGMD-QMMMGPOBSA-N 317.301 0.383 10 10 DCCE CN(C)S(=O)(=O)N1CC(NCc2cc(Cl)ccc2O)C1 858311521 HXHABXHJNYZFOF-UHFFFAOYSA-N 319.814 0.626 10 10 DCCE O=C(c1cccc(O)c1O)N1CCO[C@@H](Cn2ccnn2)C1 1301121031 ARCJGSYLENELTE-SNVBAGLBSA-N 304.306 0.231 10 10 DCCE CC(=O)O[C@H]1[C@H](C)O[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O 1083803664 MKZJGETUNXHZRX-HASKGGTLSA-N 315.282 0.837 10 10 DCCE CC[C@H](O)Cn1cc(C(=O)NCc2c(O)cccc2F)nn1 1303875753 NQDWIWUOPSMFOH-VIFPVBQESA-N 308.313 0.824 10 10 DCCE CCc1noc(COCC(=O)NCc2ccc(O)c(O)c2)n1 1622664004 CGAYRGDIWBFWLE-UHFFFAOYSA-N 307.306 0.876 10 10 DCCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2[C@H](O)CO)cc1Cl 2146328489 GOQIJPPFSJUJCX-OWYVNGRQSA-N 300.786 0.918 10 10 DCCE CC[C@@H](CO)CNS(=O)(=O)CCOc1ccc(N)cc1 2154327532 MDARXFPSFIHPEH-LLVKDONJSA-N 302.396 0.586 10 10 DCCE [N-]=[N+]=NC[C@H]1CCCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 2179611200 DBMLCHBSYJOKKP-VHSXEESVSA-N 301.372 0.064 10 10 DCCE OCc1ccc(N2C[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)c(Br)c1 2308770294 XTKOLNRVIQPLNA-HWNAMQAFSA-N 314.179 0.872 10 10 DCCE COC[C@H](O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305166222 OPQBYTDBNOMISG-LLVKDONJSA-N 303.318 0.988 10 10 DCCE O=C1N=C(N(CCO)CCO)S/C1=C/c1cccc(O)c1 33900569 PGTROACBPVZRSR-FMIVXFBMSA-N 308.359 0.649 10 10 DCCE CCS(=O)(=O)N(C)Nc1nc(C(=O)OC)c(C(C)=O)s1 2365283098 LYFFUMRJIDDIRN-UHFFFAOYSA-N 321.380 0.741 10 10 DCCE C[C@H](NC(=O)C(=O)N1CC(CO)C1)c1ccc(N(C)C)cc1 807675066 UHJOZKTUZOEFOE-NSHDSACASA-N 305.378 0.381 10 10 DCCE COc1ccc(CNC(=O)NC[C@@H]2COCCN2C)c(O)c1 858838561 JLNIIRZAVMIWFI-GFCCVEGCSA-N 309.366 0.531 10 10 DCCE CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1 1118646589 SZDZZTFUBXXTRY-SUMWQHHRSA-N 317.389 0.352 10 10 DCCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)N(C)C 773769223 RIXOIMOFSBWZJH-SECBINFHSA-N 316.379 0.036 10 10 DCCE CCc1cc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)no1 774362456 MENSLDQIMIOEGM-UHFFFAOYSA-N 319.317 0.946 10 10 DCCE COC(=O)[C@H](NCc1cc2c(cc1O)OCO2)c1ccn(C)n1 787437764 CNPSUMVVGFBBDU-CQSZACIVSA-N 319.317 0.858 10 10 DCCE C[C@@H]1CN(c2ccc([N+](=O)[O-])c(CO)c2)CCS1(=O)=O 707381483 IEFJYXSVHCFVBW-SECBINFHSA-N 300.336 0.710 10 10 DCCE CS(=O)(=O)N1CC[C@@H](CNCc2ccc(O)cc2O)C1 690681883 QPKNRPVNIIJXSH-JTQLQIEISA-N 300.380 0.469 10 10 DCCE COC(=O)[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCOC1 1472633871 IIWFQGDVIHPTSD-CQSZACIVSA-N 313.281 0.546 10 10 DCCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1CC(C)(C)O 1616462370 GRIRYBPSWCXUJC-LBPRGKRZSA-N 322.405 0.944 10 10 DCCE CSC[C@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 230115689 XMXHGKZSBPLGKM-GFCCVEGCSA-N 304.437 0.802 10 10 DCCE C[C@](F)(CN)CS(=O)(=O)NCCc1ccc(O)c(O)c1 2164488548 XPUHHQIDVILNRJ-LBPRGKRZSA-N 306.359 0.247 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)C(=CNCCO)C2=O)cc1C 2293042877 WTIMYRZWECYQST-UHFFFAOYSA-N 303.318 0.352 10 10 DCCE CC(=O)C(=O)CSc1nnc(-c2cccc(N(C)C)c2)n1N 289615597 LCHZYUGFHNQIFT-UHFFFAOYSA-N 319.390 0.975 10 10 DCCE CO[C@]1(CNCc2ccc(O)cc2O)CCS(=O)(=O)C1 721227541 FMAUWBYOCDSLBU-ZDUSSCGKSA-N 301.364 0.391 10 10 DCCE COc1ccc(O)c(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 769541990 QLXPDUFYNIIRGT-UHFFFAOYSA-N 307.266 0.217 10 10 DCCE CN(Cc1ccccc1O)c1ccc(C(=O)NCCO)nn1 786793621 OFOSUJYLQKMQQO-UHFFFAOYSA-N 302.334 0.541 10 10 DCCE Cn1nncc1CC(=O)NCc1ccc(N2CCOCC2)cc1 823292864 SXDOAHWHYHVUCH-UHFFFAOYSA-N 315.377 0.511 10 10 DCCE COc1ccc(N2CC[C@@H](Nc3nc(N)nc(N)n3)C2)cc1 858620358 CJCKWYREZGVFMF-SECBINFHSA-N 301.354 0.735 10 10 DCCE Cc1ccc(O)c(CNCc2nccn2S(=O)(=O)N(C)C)c1 862478665 LSSONISHKJKWPX-UHFFFAOYSA-N 324.406 0.841 10 10 DCCE CN1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)CC[C@@H]21 868309824 MYLVTDPLIJDABO-FZMZJTMJSA-N 302.378 0.760 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCCN(C)C3)c2n1 2064814668 CANRURHZDVQUIG-LLVKDONJSA-N 303.366 0.910 10 10 DCCE C[C@H](O)c1ccc(N2CCOC[C@@H]2[C@@H](O)CO)c(Cl)c1 2146323649 NLNQLMXENFAQST-FZZIBODNSA-N 301.770 0.952 10 10 DCCE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1COc1nnc(=N)[nH]n1 2210645655 WAAGAEPZNHQTQP-ZJUUUORDSA-N 324.385 0.951 10 10 DCCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CO)c(Cl)c1 2357915722 GKDNQCITPYNUML-XAGKMFGPSA-N 300.786 0.523 10 10 DCCE CCOC(=O)CS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1 36337289 PALICGVEERYALE-UHFFFAOYSA-N 314.363 0.210 10 10 DCCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N1CCOCC1 187146614 CTXHIFMQXKNYRE-AAEUAGOBSA-N 306.362 0.891 10 10 DCCE CC(C)(CNC(=O)c1ccc(O)c(O)c1)CS(C)(=O)=O 723861066 RQTKSFIJFCDZHN-UHFFFAOYSA-N 301.364 0.898 10 10 DCCE COC(=O)CC[C@@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O 828666810 IXKDCSRKDHOPLJ-BXKDBHETSA-N 310.350 0.859 10 10 DCCE O=C1OC[C@@]23CC[C@@H](O2)[C@@H](C(=O)N2Cc4cccc(O)c4C2)[C@@H]13 871207962 VUQJVVQFPWHOBR-VWPFQQQWSA-N 315.325 0.955 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)n(C)cn1 1154027203 RONLRHQOTBDDDF-VIFPVBQESA-N 303.318 0.553 10 10 DCCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cocn2)cc1C 1278054833 WUTWQFBUHAQILW-CYBMUJFWSA-N 319.361 0.872 10 10 DCCE O=C(NCc1c(O)cccc1O)c1ccc2nnc(O)n2c1 1597574780 SQLASSFXEZFMPK-UHFFFAOYSA-N 300.274 0.776 10 10 DCCE C[C@@](C[C@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(N)=O 2156787119 PBFWXDUVKQWPAT-KOLCDFICSA-N 303.388 0.488 10 10 DCCE C[C@H]1C(=O)N(C)CN1CC(=O)NCc1ccc(N(C)C)cc1 830783669 QHXXDWHMSRWBSW-LBPRGKRZSA-N 304.394 0.489 10 10 DCCE CN(C)C(=O)c1c[nH]nc1NC(=O)Cc1ccc(O)c(O)c1 1177480476 QEBIFDVBVXWIOM-UHFFFAOYSA-N 304.306 0.704 10 10 DCCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CN2CCN1C[C@@H]2C 1263824306 GHJMIVOETONBFE-QWHCGFSZSA-N 324.421 0.882 10 10 DCCE COc1cc(N2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1OC 1472747327 QOGABJMCYJZRQC-QMMMGPOBSA-N 310.310 0.859 10 10 DCCE NCc1cc(F)c(N2CC(O)(C(N)=O)C2)cc1Br 1915248671 KFOGMOYGMCNLCO-UHFFFAOYSA-N 318.146 0.083 10 10 DCCE NCc1ccc(N2CC(O)(CO)C2)c(F)c1Br 2004522994 OEXIJSAFGGEZJL-UHFFFAOYSA-N 305.147 0.590 10 10 DCCE CS(=O)(=O)CC1CC(NCc2ccc(O)c(O)c2O)C1 2171157430 DCKBKRRNKAVVNY-UHFFFAOYSA-N 301.364 0.716 10 10 DCCE COc1ccc(N2CCS(=O)(=O)CC23CNC3)cc1F 2183486936 SBRLMHYLJHMYFY-UHFFFAOYSA-N 300.355 0.411 10 10 DCCE NCc1cc(F)c(N2CCNC(=O)C2)cc1Br 310376389 BCMSETJXUMCPFS-UHFFFAOYSA-N 302.147 0.983 10 10 DCCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NS(=O)(=O)CC1CC1 86496869 SCIIGRUYPRCGBC-JTQLQIEISA-N 315.347 0.423 10 10 DCCE Nc1c(I)ccc([C@H]2CNCCN2)c1O 238580858 DGVNYOALAWDZJZ-MRVPVSSYSA-N 319.146 0.813 10 10 DCCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CCCOCC2)ccc1O 844660441 LRZSGTVLRRXCIC-UHFFFAOYSA-N 317.323 0.679 10 10 DCCE C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCc1c(O)cccc1F 928708719 RMZIOWXPOJOSPL-AMIZOPFISA-N 310.325 0.423 10 10 DCCE CNS(=O)(=O)CCCOC(=O)c1ccc(C)c(O)c1O 777076152 QRFNUOGPANATGX-UHFFFAOYSA-N 303.336 0.502 10 10 DCCE NC(=O)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 770378944 HSPSHTYTKOXJGB-CQSZACIVSA-N 304.394 0.766 10 10 DCCE NS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1299570830 MXPMJDXXENCSGD-UHFFFAOYSA-N 322.342 0.675 10 10 DCCE COc1ncc(/C=C/C(=O)N2CCCc3c(O)ncnc32)cn1 1462320258 QVHATWHXWGJTIV-SNAWJCMRSA-N 313.317 0.973 10 10 DCCE COCc1ncc(CNC(=O)Cc2ccc(O)c(O)c2)c(N)n1 1628331851 ZESBPBKDVBXDEH-UHFFFAOYSA-N 318.333 0.475 10 10 DCCE C[C@]1(CCCC(=O)NCc2cc(O)ccc2O)NC(=O)NC1=O 1637126458 ZKALPZWHLYPIAA-OAHLLOKOSA-N 321.333 0.482 10 10 DCCE O=S1(=O)C[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]2C1 2144164967 OMUAIVUMFFARIN-AOOOYVTPSA-N 303.330 0.938 10 10 DCCE [N-]=[N+]=N[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2CO)CC1 2161835296 FPBRTWQGIWMBMG-WDEREUQCSA-N 303.388 0.853 10 10 DCCE Cc1cc(=NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)[nH][nH]1 2059617744 SVQTVEIAXAWBCH-UHFFFAOYSA-N 307.379 0.335 10 10 DCCE CN(CC(=O)NCC(F)(F)F)C(=O)Cc1ccc(N)cc1 37814031 IZWGRBVDTGFGFE-UHFFFAOYSA-N 303.284 0.948 10 10 DCCE CN1CCOC[C@@]1(CO)CNCc1c(O)cccc1Cl 922536757 ZOLBMHQPFMNEEE-AWEZNQCLSA-N 300.786 0.828 10 10 DCCE COc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCCO 1084551678 HEAGVMAFRTVLJT-YFHOEESVSA-N 320.301 0.158 10 10 DCCE C[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 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CN(C)c1ccc(CNC(=O)Cn2c(O)nnc2O)cc1F 1142566068 WKTMJDOXUNDUKW-UHFFFAOYSA-N 309.301 0.211 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NCC1(N2CCOCC2)CC1 1156559310 BDTRFXFTAWJVTJ-UHFFFAOYSA-N 306.362 0.621 10 10 DCCE COC(=O)C1(O)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1175345091 OXTLQUYJMDNUOU-UHFFFAOYSA-N 323.326 0.672 10 10 DCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCc2c[nH]nc2C1 1335584369 JSVDRDHHNFLQSH-UHFFFAOYSA-N 312.329 0.542 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)cc1 1457243501 KJUCGPIFGBQNAC-RYUDHWBXSA-N 320.349 0.912 10 10 DCCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(O)COC1 1542113339 VLUBCUIOPUMGCR-UHFFFAOYSA-N 310.325 0.040 10 10 DCCE C[C@@H]1C(=O)N(NC(=O)/C=C\c2ccc(O)c(O)c2)C(=O)N1C 1629884604 AATGJSGFASRKNE-RZAAKKIOSA-N 305.290 0.425 10 10 DCCE O=C(NCc1ccc(O)cc1O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1638357907 WGMCZJLTSVRXIN-NFFDBFGFSA-N 319.313 0.435 10 10 DCCE O=S(=O)(NCCc1ccc(O)c(O)c1)C1CC(CO)C1 2157790441 YEJUUCSHOFQGFU-UHFFFAOYSA-N 301.364 0.331 10 10 DCCE 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COc1ccc(CN(C)C[C@H](O)CN2CCOCC2)c(O)c1 93584098 KQDIJLSSNDFWPT-AWEZNQCLSA-N 310.394 0.526 10 10 DCCE COC(=O)C1=S=C(NC(=O)c2cccc3ncnn23)C=C1 346473257 ARBJTFXPHOPLFG-UHFFFAOYSA-N 302.315 0.237 10 10 DCCE COC(=O)c1ccc(O)c([C@H](C)NCCc2nnnn2C)c1 756674909 COYGOFJDQJMKIH-VIFPVBQESA-N 305.338 0.596 10 10 DCCE CC(=O)C(=O)COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F 870031025 HFLKBBRPSHOVET-GFCCVEGCSA-N 321.276 0.990 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCCO2)cc1 70490485 NLPGFXLELFTKMN-CYBMUJFWSA-N 300.380 0.746 10 10 DCCE Cc1cc(NC(=O)C2=S=C([N+](=O)[O-])C=C2)n2ncnc2n1 1272060244 NLOFCDKEYIASPM-UHFFFAOYSA-N 304.291 0.253 10 10 DCCE COCCNC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1540427476 NMSUHIXODQQCES-UHFFFAOYSA-N 307.310 0.341 10 10 DCCE O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 1637159920 XSTOKHNZHRNUSY-SECBINFHSA-N 316.317 0.922 10 10 DCCE NC(=O)c1ccccc1NCC(=O)NCc1cccc(O)c1O 1633515562 GLQUNTQZVAAAPX-UHFFFAOYSA-N 315.329 0.925 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1ccc(Cl)cc1O 2142469603 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C[C@@H](NC[C@]12COCCN1C(=O)COC2)c1ccccc1O 866556014 PITOGDKYYQOPEB-MLGOLLRUSA-N 306.362 0.671 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CS(=O)(=O)C1 1116743385 KMWMYNGGSBEBSM-DUXPYHPUSA-N 311.359 0.662 10 10 DCCE CS(=O)(=O)N1CC[C@H](CNCc2cccc(O)c2O)C1 690683657 ZORBTFKVCDFLLA-SNVBAGLBSA-N 300.380 0.469 10 10 DCCE COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1632885581 GPTSQBKHJKAXRY-MNOVXSKESA-N 320.305 0.597 10 10 DCCE CN(C)S(=O)(=O)C[C@H](N1CC(N=[N+]=[N-])C1)C(F)(F)F 1912203244 PAZYJTUPKPVKGW-ZETCQYMHSA-N 301.294 0.803 10 10 DCCE CNC(=O)CN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 1645062088 PITWCYMEFBPGQU-UHFFFAOYSA-N 321.377 0.300 10 10 DCCE C[C@H]1[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)CCS1(=O)=O 2188868513 SGPODBRETSAWRD-XPUUQOCRSA-N 301.320 0.109 10 10 DCCE Nc1ccc(CS(=O)(=O)NC[C@@]2(CO)CCCO2)cc1 2194016119 DLRWFNCXUBWKOV-CYBMUJFWSA-N 300.380 0.230 10 10 DCCE CO[C@@H]1C(=O)NC(=O)N(Cc2cnc(SC)s2)C1=O 2269247931 ZYHRUQAXNJFLPU-ZCFIWIBFSA-N 301.349 0.458 10 10 DCCE 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300.380 0.743 10 10 DCCE N[S@@](=O)(=NCCc1ccc(O)c(O)c1)N1CCOCC1 2154243616 BIKIUBWLAOKUFQ-HXUWFJFHSA-N 301.368 0.229 10 10 DCCE NCc1cc(F)c(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258334682 JSITXMAHXTYCDP-ZYHUDNBSSA-N 319.174 0.979 10 10 DCCE CCOC(=O)Cc1sc(NN(C)S(C)(=O)=O)nc1C 2339730166 HELZCTRMGNYAER-UHFFFAOYSA-N 307.397 0.775 10 10 DCCE CC(=O)c1sc(NN(C)S(=O)(=O)C2CC2)nc1C(=O)O 2365273304 YLUZMKKXLUBTFH-UHFFFAOYSA-N 319.364 0.795 10 10 DCCE NC(=O)CN(Cc1ccc(N)cc1)S(=O)(=O)C1CCCC1 97834723 WXFRIWNMCZFYFQ-UHFFFAOYSA-N 311.407 0.829 10 10 DCCE CC(=O)N1CCN(C(=O)CN[C@@H](C)c2ccccc2O)CC1 879653056 LKVNUSOGXDCLES-LBPRGKRZSA-N 305.378 0.734 10 10 DCCE O=C(N[C@@H]1CCN(c2cc(O)ncn2)C1)c1cccc(O)c1O 1304647066 SDPXWSGTIZVVLJ-SECBINFHSA-N 316.317 0.602 10 10 DCCE CN(c1ccc(N)cc1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 702073523 QFIVUGCGVGLCJF-LLVKDONJSA-N 304.393 0.222 10 10 DCCE Cn1ncc(Br)c1S(=O)(=O)NCCN=[N+]=[N-] 1912210244 HBHRLTMSJASAFO-UHFFFAOYSA-N 309.149 0.771 10 10 DCCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CNC(=O)C2)c1 1478819302 JINVDVGDNPSLTJ-NXEZZACHSA-N 307.350 0.897 10 10 DCCE CN(C)[C@H](C(=O)NCc1c(O)cccc1O)c1cncn1C 1645363338 QWDRNKITMYTJDU-AWEZNQCLSA-N 304.350 0.750 10 10 DCCE N=C(N)NC1=NC(=O)/C(=C\c2ccccc2-n2cncn2)S1 1384346 BXLLLJRYQMAJJL-BJMVGYQFSA-N 313.346 0.721 10 10 DCCE COc1ccc([C@@H](C)NC2CN(S(C)(=O)=O)C2)c(O)c1 2145423416 JXDWNMWGPJKXLQ-SECBINFHSA-N 300.380 0.695 10 10 DCCE CC(C)(CNC(=O)c1cc(O)c(O)c(O)c1)S(C)(=O)=O 2188868367 QCIQVJKQMDJURE-UHFFFAOYSA-N 303.336 0.356 10 10 DCCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O 2108827979 IDGLRIKVBDXNGO-DMWPJOQESA-N 308.161 0.644 10 10 DCCE CON(C)CCNS(=O)(=O)CCOc1ccc(N)cc1 2234113049 WEQSHGBYNNTSMV-UHFFFAOYSA-N 303.384 0.060 10 10 DCCE CC(=O)N(C(=O)C(=O)NC[C@@H]1CCCO1)c1ccc(N)cc1 170318191 VPWXYOIEQPYTBW-ZDUSSCGKSA-N 305.334 0.444 10 10 DCCE CC(=O)C(=O)COC(=O)Cc1csc(NC(=O)C(C)C)n1 808533419 LRAWSNQKWQPVPT-UHFFFAOYSA-N 312.347 0.981 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)C(C)(C)O)C2)cc1 912292622 NJVWHDSCQRPIPR-RISCZKNCSA-N 308.378 0.522 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3[C@H]4CNC[C@H]43)C2)cc1 852900763 RJNFXEWOZJUIJG-FWYOQMDTSA-N 301.390 0.856 10 10 DCCE COc1ccc(N2CCCN(C(=O)C3(O)COC3)CC2)cc1 1141985505 YAKDNHDACGFNQF-UHFFFAOYSA-N 306.362 0.495 10 10 DCCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1CN 1332891383 BPTVICPBVXCMKX-RYUDHWBXSA-N 317.389 0.678 10 10 DCCE COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1639309777 AOVVTFBQYOECLT-GFCCVEGCSA-N 322.361 0.204 10 10 DCCE CNC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1567390719 ZSZLLZLOUWCSBY-NSHDSACASA-N 318.337 0.993 10 10 DCCE CSCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912199680 WAIOZMXQVYXYHH-IUCAKERBSA-N 300.388 0.935 10 10 DCCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nnnn2CC1 1682108752 AKRZGGMHUUGTLE-LBPRGKRZSA-N 316.365 0.925 10 10 DCCE CN1C[C@@H](O)[C@H](NCc2cccc(Br)c2O)C1 1942697671 BZPNCSYLGDTXHS-GHMZBOCLSA-N 301.184 0.919 10 10 DCCE NC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Br)ccc1O 2053788902 LBXNKYHIGWXNBB-GXSJLCMTSA-N 315.167 0.887 10 10 DCCE [N-]=[N+]=NC[C@@H]1CCN(S(=O)(=O)C2CC3(C2)OCCO3)C1 2252845753 VOYHZSZKRKNKBO-VIFPVBQESA-N 302.356 0.854 10 10 DCCE NCc1ccc(N2CC[C@H]2[C@H](O)CO)c(F)c1Br 2258335597 UTXXMCVBYBDCTC-WCBMZHEXSA-N 319.174 0.979 10 10 DCCE C[C@H]1CO[C@@H](CO)CN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 221137184 YNMPEBNFWXOYRF-HHURGBBESA-N 311.769 0.878 10 10 DCCE CC1(C)NC(=O)N(CC(=O)NCCc2ccc(O)c(O)c2)C1=O 917355965 PGCGWWABUKLLHZ-UHFFFAOYSA-N 321.333 0.087 10 10 DCCE CN1CC[C@H](C(=O)NCc2c(O)cccc2F)S1(=O)=O 928706656 UGSQIPGAASVSNP-LLVKDONJSA-N 302.327 0.181 10 10 DCCE COc1ccc(O)c([C@@H](C)Nc2cc(=O)n(C)c(=O)n2C)c1 853269371 PIPBEKOHKUHFRN-SECBINFHSA-N 305.334 0.971 10 10 DCCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCNC1=O 852408903 HWPRHEJTTZOHEG-ZDUSSCGKSA-N 303.362 0.959 10 10 DCCE C[C@@]1(CO)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118941398 BQHBFKZLPIBPEI-QGZVFWFLSA-N 318.373 0.855 10 10 DCCE O=C(C(=O)N1CCC[C@@H](CO)C1)N1Cc2cccc(O)c2C1 1348573328 CXHXJQQSILYPCK-LLVKDONJSA-N 304.346 0.465 10 10 DCCE O=C(c1cccc(O)c1O)N1CCN([C@@H]2CCC[C@H]2O)CC1 1464675669 YZULMCKPWWWCIV-CHWSQXEVSA-N 306.362 0.769 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(O)cc1O 1626838203 RKKQPBLJQCYOJA-LBPRGKRZSA-N 316.379 0.288 10 10 DCCE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Cc1ccc(O)c(O)c1 1636291481 OYKVAFJGBHFOSC-TZMCWYRMSA-N 320.389 0.962 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1cccc(Cl)c1O 2142466765 KYUFCHZLONIZLD-WDEREUQCSA-N 305.783 0.947 10 10 DCCE Cn1[nH]c(=O)c(=O)nc1Sc1ncc(CNC2CC2)s1 2155328835 PIAJKMTXGMQKIN-UHFFFAOYSA-N 311.392 0.328 10 10 DCCE COc1nscc1S(=O)(=O)NCc1cc(N)ccc1O 714358913 FYSBCYNMIAEPJQ-UHFFFAOYSA-N 315.376 0.918 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)Cc2cnn(C)c2)c1 787132315 YNTANFUJYVYPTR-BONVTDFDSA-N 319.361 0.915 10 10 DCCE CC1(OCC(=O)NCc2ccc(N3CCOCC3)cc2)CNC1 844170970 OXPCWUDVFLOETB-UHFFFAOYSA-N 319.405 0.518 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)cc1 855232765 XMZXFISZVWATKX-BXUZGUMPSA-N 303.362 0.669 10 10 DCCE CNC(=O)NC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 895390229 KCOFUTQANVFECF-NSHDSACASA-N 315.320 0.800 10 10 DCCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@]1(C)CO 1118956848 FDIPCAJOZVLANR-DIFFPNOSSA-N 318.373 0.711 10 10 DCCE Cn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1-n1cnnc1 1150378835 WXPYKADAFVEIFQ-UHFFFAOYSA-N 314.305 0.342 10 10 DCCE C[C@@]12COC[C@H]1CN(C(=O)C(=O)NCCc1ccc(N)cc1)C2 1327487364 UNSMXWSPJSLHSJ-CXAGYDPISA-N 317.389 0.422 10 10 DCCE O=C(C(=O)N1CCC[C@@H]2NCC[C@@H]21)N1Cc2cccc(O)c2C1 1329517075 QFMUOGKAUZHKOM-KBPBESRZSA-N 315.373 0.587 10 10 DCCE CCn1c(C2=NNC(=O)C2)nnc1N(C)Cc1ccccc1O 1339466267 CMUUIEPDDAIRMK-UHFFFAOYSA-N 314.349 0.864 10 10 DCCE Cc1ccc(C(=O)N2CCC(c3nn[nH]n3)CC2)c(O)c1O 1643129189 QZEVBXYIQOHYSM-UHFFFAOYSA-N 303.322 0.939 10 10 DCCE CN1[C@@H](CNCc2cc(F)cc(F)c2O)CCS1(=O)=O 1965947020 JNIDCDRQHZBPGB-SNVBAGLBSA-N 306.334 0.794 10 10 DCCE C[C@@]1(CO)CCN1S(=O)(=O)CCOc1ccc(N)cc1 2153570310 SMYJELGNWWFVPG-ZDUSSCGKSA-N 300.380 0.434 10 10 DCCE COc1cccc(O)c1CNCCN1CCCS1(=O)=O 2160733525 ISQFWLLAHZACGL-UHFFFAOYSA-N 300.380 0.526 10 10 DCCE CCOC(=O)Cc1csc(NN(C)S(=O)(=O)CC)n1 2339730988 SZOCSVBRKRLISQ-UHFFFAOYSA-N 307.397 0.857 10 10 DCCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@@H](N)CCS(C)(=O)=O 37826523 PYUOQASWGFIJAH-JQWIXIFHSA-N 314.407 0.674 10 10 DCCE CCN(CC)C(=O)[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 134460925 JMAOUPDMNYLTHG-NSHDSACASA-N 313.423 0.945 10 10 DCCE CN(C(=O)C[S@@](=O)CCC[S@@](C)=O)c1ccc(N)cc1 319421080 ILEJRKJFKVDNRA-UXHICEINSA-N 316.448 0.749 10 10 DCCE O=C(CNC(=O)c1cccnc1)NCCc1ccc(O)c(O)c1 762275215 OIEJAKCZQHWLKL-UHFFFAOYSA-N 315.329 0.582 10 10 DCCE Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c(O)c1O 790233500 JILNIOWQJCRJEQ-HNNXBMFYSA-N 319.317 0.220 10 10 DCCE CO[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@H]1O 844216718 UUHFIVLFXBNACF-UXOHQCDBSA-N 308.290 0.889 10 10 DCCE COC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1 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10 DCCE CN(NCc1ccc(O)c(O)c1O)S(=O)(=O)C1CCC1 2365328993 NPILHFIJCQCNSP-UHFFFAOYSA-N 302.352 0.622 10 10 DCCE COC(=O)c1cnc(SC[C@@]2(C)NC(=O)NC2=O)s1 917778363 QMMDXVIFFLZDOC-SNVBAGLBSA-N 301.349 0.620 10 10 DCCE NC[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F 848597562 PTJORLAPYDJMLW-JTQLQIEISA-N 307.272 0.829 10 10 DCCE COCc1nc(C(=O)NCc2cc(OC)ccc2O)n(C)n1 853802258 UNQAGAXODHXSEN-UHFFFAOYSA-N 306.322 0.606 10 10 DCCE CC[C@]1(CO)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1118945506 AVWKQPIEIIJAHQ-QGZVFWFLSA-N 318.373 0.998 10 10 DCCE C[C@]1(CC(=O)NCc2c(O)cccc2O)CCS(=O)(=O)N1 1178916820 CDMAQXXFKGCILQ-CYBMUJFWSA-N 314.363 0.186 10 10 DCCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CCS(C)(=O)=O 63143302 FZPASHXGTSOOFI-SNVBAGLBSA-N 321.420 0.759 10 10 DCCE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1297776572 ZSDZZHFEOWOEGJ-RISCZKNCSA-N 311.378 0.915 10 10 DCCE Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc(O)ccc1O 1593873291 NRUXRCUHWBCDDV-UHFFFAOYSA-N 306.278 0.827 10 10 DCCE CC(C)[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)C(=O)O 1857879130 VTYJZTXXVZUXSK-JTQLQIEISA-N 304.310 0.084 10 10 DCCE Nc1ccc(OCCS(=O)(=O)NCC2(CO)CC2)cc1 167153368 WAKZSARYPDEWRF-UHFFFAOYSA-N 300.380 0.340 10 10 DCCE NCc1cc(F)c(N2CCC(O)(C(N)=O)CC2)cc1Cl 2177377719 OIKYNGXDNGFKGO-UHFFFAOYSA-N 301.749 0.754 10 10 DCCE CC1(C)OC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)O1 2191771705 IGLHFNNKAZVVCH-GFCCVEGCSA-N 300.380 0.840 10 10 DCCE COC(=O)[C@@]1(NCCCN=[N+]=[N-])CC[C@H](S(C)(=O)=O)C1 2361650978 WABXWXHRHSZODA-GXSJLCMTSA-N 304.372 0.785 10 10 DCCE CC[C@H](CO)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 182846314 OBGHOOGXIPTNMC-GFCCVEGCSA-N 308.378 0.935 10 10 DCCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CN2CCCN1CC2 854352877 MBBPXMGYNKBDPT-MFBWXBCUSA-N 317.389 0.617 10 10 DCCE C[C@@H]1OCCO[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 930519524 KRRKIHUJMWOHKQ-BBRMVZONSA-N 320.389 0.943 10 10 DCCE COc1ccc(CNC(=O)[C@H]2CCc3nnc(O)n3C2)c(O)c1 1448389546 ZSVPMPVOLPRKHI-JTQLQIEISA-N 318.333 0.577 10 10 DCCE O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CCNC1=S 1472464606 CZJLDROKZJREJM-DUXPYHPUSA-N 307.375 0.417 10 10 DCCE CN1C(C)(C)[C@](NCCCN=[N+]=[N-])(C(=O)O)CS1(=O)=O 1912189456 WAWJYCJWYZZPNF-SNVBAGLBSA-N 305.360 0.154 10 10 DCCE Cc1ccc(C(=O)N2CCS(=O)(=O)CCO2)c(O)c1O 1640742589 HQSNRSJOUIRYFT-UHFFFAOYSA-N 301.320 0.208 10 10 DCCE CN(C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1597349015 ZGPQXBMAOVHXDM-UHFFFAOYSA-N 306.326 0.850 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@H]1NCc1cccc(Cl)c1O 2142466762 KYUFCHZLONIZLD-GHMZBOCLSA-N 305.783 0.947 10 10 DCCE O=S1(=O)C[C@H](c2ccc(Br)cc2O)NCCN1 1952455464 CNRVFTPLGZXWKQ-SECBINFHSA-N 321.196 0.718 10 10 DCCE CC(C)[C@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2191641610 KOPISZMWNWDAAC-ZDUSSCGKSA-N 301.412 0.550 10 10 DCCE CSc1ncc(CNC(=O)[C@@H]2COC[C@@H]2C(=O)O)s1 2338427388 KKPGZNPKJYPQQT-SFYZADRCSA-N 302.377 0.828 10 10 DCCE C[C@@H]1O[C@@H](CC(=O)O)C[C@H]2C(=O)c3cccc(O)c3C(=O)[C@]12O 5752304 IRFITFGOKXSNHV-DWOGJIGDSA-N 320.297 0.771 10 10 DCCE in-vitro O=C1C[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CN1 194873695 PDTSOQRVVRMJDU-ZDUSSCGKSA-N 319.430 0.992 10 10 DCCE CN(C)c1ccc(N)c(OCCCS(=O)(=O)N(C)C)c1 699276664 SRLFSZROTNWBDZ-UHFFFAOYSA-N 301.412 0.995 10 10 DCCE COC(=O)CC[C@@H](N)C(=O)N[C@@H](C)c1cc(OC)ccc1O 828666812 IXKDCSRKDHOPLJ-JOYOIKCWSA-N 310.350 0.859 10 10 DCCE Nc1ccc(NC(=O)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 848603966 UHYZOANBLGWZAT-LBPRGKRZSA-N 318.333 0.307 10 10 DCCE COc1c([N+](=O)[O-])ccc(CN2CCOC3(CNC3)C2)c1O 853249366 QDGKDDUMSNTHSV-UHFFFAOYSA-N 309.322 0.483 10 10 DCCE CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1N 1329503255 AGOVVBJNTHFMMY-RISCZKNCSA-N 317.389 0.820 10 10 DCCE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1648003003 YTRZYGDTVBUKLM-AWEZNQCLSA-N 319.361 0.840 10 10 DCCE [N-]=[N+]=NC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 1912143303 DDHCOJNIJWFTHN-UHFFFAOYSA-N 322.412 0.668 10 10 DCCE COC(=O)[C@](C)(NCCN=[N+]=[N-])C1CCS(=O)(=O)CC1 1912204168 IZSJIRUWSCSITH-LLVKDONJSA-N 304.372 0.643 10 10 DCCE NCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1Br 2014963236 WYDDUDJPHZAYIC-NWDGAFQWSA-N 301.184 0.840 10 10 DCCE NC(=O)[C@@H]1OCC[C@H]1NCc1cccc(Br)c1O 2053789274 OABKHHMREAVKST-MWLCHTKSSA-N 315.167 0.887 10 10 DCCE CSc1ncc(CNC(=O)C2=NO[C@]3(CCNC3)C2)s1 2284641056 PMLPNUCTYVKJEK-GFCCVEGCSA-N 312.420 0.990 10 10 DCCE Cc1ccc(CNC[C@@H](O)C(=O)O)c(O)c1Br 2307453610 ZYNLXPLTECANCU-MRVPVSSYSA-N 304.140 0.998 10 10 DCCE O=C(O)[C@@H]1CCCN(S(=O)(=O)Nc2ccc(O)c(F)c2)C1 70330068 WPNDNQWATAYCAF-MRVPVSSYSA-N 318.326 0.985 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@H]2CO)cc1 70490758 PXNIPFPSERUVEL-LBPRGKRZSA-N 300.380 0.434 10 10 DCCE Nc1ccc(NC(=O)CCn2cc(Cl)c(=O)[nH]c2=O)cc1 91329317 KFMARBJIRKQXOV-UHFFFAOYSA-N 308.725 0.801 10 10 DCCE Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 126398781 ZULVUIUHMACMCJ-LBPRGKRZSA-N 313.375 0.774 10 10 DCCE CC[C@@H](CCO)NS(=O)(=O)CCOc1ccc(N)cc1 134323433 OENJZOKMGYECME-LBPRGKRZSA-N 302.396 0.728 10 10 DCCE NC(=O)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 367928389 SBZPQNREIFIQFV-MRVPVSSYSA-N 320.305 0.627 10 10 DCCE COc1cc2c(c(OC)c1OC)C(=O)N(C)CCN2CCCN 527431882 DXONBDPDMJSTSU-UHFFFAOYSA-N 323.393 0.953 10 10 DCCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H](C)c1ccc(F)cc1O 697271955 GBSSQANZHVPOTE-LJUAHTATSA-N 303.355 0.994 10 10 DCCE Cc1cc(N(C)C)ccc1CNC[C@H](O)CN1CCN(C)CC1 819076426 BRQFXSNRARARAS-SFHVURJKSA-N 320.481 0.759 10 10 DCCE O=C(NCc1c(O)cccc1F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 928708218 BGBPOVXWVCFTAP-NFFDBFGFSA-N 321.304 0.868 10 10 DCCE CC(C)[C@H](NS(C)(=O)=O)C(=O)N(C)Cc1ccccc1O 1137345776 WYNLQBDHAAMUMA-ZDUSSCGKSA-N 314.407 0.924 10 10 DCCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)NCCO 1700433141 YSVCUXOSSBJRJS-ZJUUUORDSA-N 307.354 0.938 10 10 DCCE OCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 1998368265 NZMRMDQSZWQANL-PHIMTYICSA-N 302.168 0.873 10 10 DCCE COc1ccc(CNC(=O)[C@H]2CCn3ncnc3C2)c(O)c1 2062509687 HTOCHQRPIIJVFD-JTQLQIEISA-N 302.334 0.871 10 10 DCCE Cc1cc(O)n2ncc(C(=O)NCC(=O)N3CCCC3)c2n1 2063466157 XMKRNTPYZKLEMT-UHFFFAOYSA-N 303.322 0.096 10 10 DCCE O=S1(=O)CC[C@@H](S(=O)(=O)Nc2ccc(O)cc2F)C1 2089618370 IXHVWIZSOWWTQM-MRVPVSSYSA-N 309.340 0.460 10 10 DCCE COC(=O)[C@H](C)CS(=O)(=O)N(C)Cc1ccc(N)cc1 2183508467 UDOAOMKNDGBPTO-SNVBAGLBSA-N 300.380 0.840 10 10 DCCE CCOC[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 70490801 CUKARZPTWYMJOB-NSHDSACASA-N 302.396 0.992 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1F 84815359 MFPNKBFQYHCRMM-SNVBAGLBSA-N 324.356 0.540 10 10 DCCE COC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892840 HINUPVDDKPAQIJ-UHFFFAOYSA-N 310.306 0.764 10 10 DCCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 170245278 ZKCPEWFECNBBHV-GXSJLCMTSA-N 313.375 0.580 10 10 DCCE CCCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)C(C)=O 808515572 SRMOVXSYOOCXBA-JTQLQIEISA-N 301.364 0.779 10 10 DCCE CO[C@@H]1COC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 839198724 FVFRMNJVNJIXFW-JKSUJKDBSA-N 321.421 0.714 10 10 DCCE CC(=O)c1cc(F)cc(CN2CCC(=O)NCC23COC3)c1O 880399796 JFVQQLSUSGACII-UHFFFAOYSA-N 322.336 0.825 10 10 DCCE COc1ccc(N2CCN(C(=O)[C@@H](O)C(C)(C)O)CC2)cc1 899940673 UVVZBKXILRGVHT-CQSZACIVSA-N 308.378 0.476 10 10 DCCE CN(C)c1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1F 900434834 SPIKEWIBDBGZJG-MLGOLLRUSA-N 309.385 0.963 10 10 DCCE COc1cccc([C@H](C)NC[C@]2(CO)COCCN2C)c1O 903279176 PKNXKXRYTOTSHS-LRDDRELGSA-N 310.394 0.745 10 10 DCCE CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261859139 MLGBFNHQCBZAMR-AWEZNQCLSA-N 318.373 0.996 10 10 DCCE Cn1ccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1448686407 CIMBROHYBXVFAU-HWKANZROSA-N 316.317 0.599 10 10 DCCE CC[C@]1(C)NC(=O)N(NC(=O)Cc2ccc(O)c(O)c2)C1=O 1618559963 FTNSXOYIWWLWFP-AWEZNQCLSA-N 307.306 0.392 10 10 DCCE Nc1ccc(CS(=O)(=O)N[C@H]2CNCCSC2)cc1 1876459508 QECWUTLPXDFLMP-LBPRGKRZSA-N 301.437 0.393 10 10 DCCE CO[C@@H]1CCS(=O)(=O)N(CCOc2ccc(N)cc2)C1 2173794437 VDPODXSBIUFRQQ-CYBMUJFWSA-N 300.380 0.698 10 10 DCCE O=S1(=O)CCN(CCNCc2cccc(F)c2O)CC1 2184633327 BGYCDDVTUAHLNI-UHFFFAOYSA-N 302.371 0.351 10 10 DCCE C[S@](=O)(=NC(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCNC1 2188920079 RYQPXFXYTZCJQX-ZPWHCFADSA-N 300.336 0.403 10 10 DCCE COc1ccc(Br)c(CNOCC(N)=O)c1O 2214883533 XRUSFGDVKCWUFE-UHFFFAOYSA-N 305.128 0.670 10 10 DCCE NCc1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2300041089 DHEIRTQEIKURLK-GFCCVEGCSA-N 301.184 0.697 10 10 DCCE CCOC(=O)c1nc(NN(C)S(C)(=O)=O)sc1C(C)=O 2365282994 KECTUCUTNYULNE-UHFFFAOYSA-N 321.380 0.741 10 10 DCCE O=C(O)[C@@H](Cc1ccc(O)c(O)c1)N1CCCCS1(=O)=O 228316827 UJHXELKJWPUQIJ-SNVBAGLBSA-N 315.347 0.519 10 10 DCCE COc1ccc(N2C[C@@H](C(=O)OCC(=O)C(C)=O)CC2=O)cc1 808499913 ALXQXZBTVUEKPZ-NSHDSACASA-N 319.313 0.749 10 10 DCCE Cc1cc(C(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1ccccn1 871125705 CXADVMGZYLFEKA-JSGCOSHPSA-N 303.362 0.961 10 10 DCCE Nc1ccc(OCCS(=O)(=O)Nc2csnn2)cc1 690663378 VMDDFGAUNUPCPX-UHFFFAOYSA-N 300.365 0.941 10 10 DCCE CCN1CCN([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)CC1 1565618319 SNKJHHAMKOJMOH-CYBMUJFWSA-N 321.421 0.783 10 10 DCCE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CCN=[N+]=[N-] 1912163148 GBOUKUYXLPOLTK-VIFPVBQESA-N 323.444 0.816 10 10 DCCE NNc1nc(Sc2nccs2)nc(N2CCOCC2)n1 161226265 DRFWTTQHTPHTCU-UHFFFAOYSA-N 311.396 0.602 10 10 DCCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Cl)C[C@@H]1O 2197471111 AAALNYJKXWJKCY-WCQYABFASA-N 301.726 0.428 10 10 DCCE C[P@]1(=O)C[C@H](O)[C@@H](NC(=O)c2cc(O)c(O)c(O)c2)C1 2188868891 YSEKNALTUILUJI-TVTWEEETSA-N 301.235 0.269 10 10 DCCE Cc1ccc(N2C(=O)NC(=O)C(=CNCCCO)C2=O)cc1C 2293040419 KXKVVDCXWBPHJI-UHFFFAOYSA-N 317.345 0.742 10 10 DCCE CN(C(=O)CS(=O)(=O)C1CCOCC1)c1ccc(N)cc1 62054923 OHHAFEBKNLPFHF-UHFFFAOYSA-N 312.391 0.825 10 10 DCCE CC[C@H](O)CCNS(=O)(=O)CCOc1ccc(N)cc1 135013205 VYYJIBIEZNHPDY-LBPRGKRZSA-N 302.396 0.728 10 10 DCCE O=C(NCCNC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 169839048 VHVRARYYNWRWHE-UHFFFAOYSA-N 316.313 0.963 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@@H](CO)C2)cc1 707648305 FCTXMQDBKQFNRD-KLPPZKSPSA-N 300.380 0.338 10 10 DCCE COCCN(C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 821198062 KNIXQOLVNAEACE-UHFFFAOYSA-N 305.312 0.535 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CC(N)=O)C2)cc1 854298101 VUZPDEOCFOVBAH-VXGBXAGGSA-N 320.393 0.837 10 10 DCCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cnnn3)C2)cc1 855229133 KGMPYLPPIBXDDK-LLVKDONJSA-N 302.338 0.077 10 10 DCCE C[C@H]1CCS(=O)(=O)CCN1C(=O)Cc1ccc(O)c(O)c1 1138211159 ZBUKYMMXNPWAHZ-JTQLQIEISA-N 313.375 0.676 10 10 DCCE O=C(CNC(=O)c1cccc(O)c1O)NCCN1CCCCC1 1157971366 LTIMHVSYIUNBIE-UHFFFAOYSA-N 321.377 0.430 10 10 DCCE NC(=O)N=Nc1ccc(C(=O)NCC2(O)CN(CCF)C2)cc1 1271393391 OLYXXXHOZKBPDT-UHFFFAOYSA-N 323.328 0.595 10 10 DCCE NC(=O)[C@@H](CO)NC1CCN(c2ccc3c(c2)CCC3)CC1 1615697668 MZAGMXZVCWPCAL-MRXNPFEDSA-N 303.406 0.580 10 10 DCCE COc1ccc(N2CC[C@H](CNC(=O)C3(O)COC3)C2)cc1 1627158606 BNVZJRKNOUQRFP-GFCCVEGCSA-N 306.362 0.399 10 10 DCCE Cn1cc(C2=NO[C@@H](C(=O)NCc3ccc(O)c(O)c3)C2)cn1 1635960091 WQZLXFSKTDCNMI-CQSZACIVSA-N 316.317 0.641 10 10 DCCE Cn1ncc(Br)c1S(=O)(=O)N1CC(N=[N+]=[N-])C1 1912164481 WQUXPZZSYYTXOD-UHFFFAOYSA-N 321.160 0.866 10 10 DCCE N[C@H]1C(=O)Nc2cc(N3CC(CO)C3)c(Br)cc21 2031673270 XBPWQHIGKWRVSG-LLVKDONJSA-N 312.167 0.830 10 10 DCCE Nc1cc2c(cc1N1CCC[C@@H]1C1OCCO1)NC(=O)CO2 2089614665 XKAFZTDIUNACFF-LLVKDONJSA-N 305.334 0.941 10 10 DCCE CN(Cc1ccccc1O)S(=O)(=O)N1CC(C(=O)O)C1 2164305581 DMJNBEHFNIBULT-UHFFFAOYSA-N 300.336 0.085 10 10 DCCE O=C1c2c(O)cc(O)c(O)c2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O 100195876 ZHPLPRUARZZBET-ZIAGYGMSSA-N 320.253 0.892 10 10 DCCE in-vitro COc1ccc(N2CCN(C(=O)NS(C)(=O)=O)CC2)cc1 82340239 QHZBJKDWPXVORR-UHFFFAOYSA-N 313.379 0.486 10 10 DCCE Nc1ccc(COn2c(=O)c(=O)oc3ccc(O)cc32)cc1 821296392 ASDRARNXCLJBIS-UHFFFAOYSA-N 300.270 0.871 10 10 DCCE COC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)O 905522733 WYCSNOWGZOZGGI-NSHDSACASA-N 313.329 0.791 10 10 DCCE COCc1n[nH]c(CNC(=O)NCc2cc(OC)ccc2O)n1 853736943 UWFRPNIRXBKZTK-UHFFFAOYSA-N 321.337 0.665 10 10 DCCE O=C(CNC(=O)c1cccnc1)NCc1ccc(O)c(O)c1 778917351 ARVSHPGNCOYIJS-UHFFFAOYSA-N 301.302 0.539 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CCN2C(=O)OCC[C@H]2C1 1295109193 VDRONRMBPZXLOF-NSHDSACASA-N 306.318 0.693 10 10 DCCE CC1=NNC(=O)[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 1628270035 MUJGFMCUSFRNGZ-JOAKQRRISA-N 303.318 0.739 10 10 DCCE CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O 1635842993 DWZSSHWBMLWKLO-JTQLQIEISA-N 314.363 0.138 10 10 DCCE Cc1n[nH]c(=NC(=O)c2nnn(-c3ccc(N)cc3)n2)s1 1857879154 VYSPMWJQBUIFRO-UHFFFAOYSA-N 302.323 0.079 10 10 DCCE C[C@@H](c1c(O)cccc1O)N1CCN(S(C)(=O)=O)CC1 235525114 NGRGWAGZPMXISR-JTQLQIEISA-N 300.380 0.736 10 10 DCCE CC1(C)OC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)[C@@H]1O 2199479845 KRNXCEGMQKJNDY-RYUDHWBXSA-N 300.380 0.227 10 10 DCCE OCc1ccc(N2C[C@H]3C[C@H]2[C@H](O)[C@@H]3O)c(Br)c1 2042553110 XTKOLNRVIQPLNA-NZBQSGDWSA-N 314.179 0.872 10 10 DCCE C[C@H](N[C@@H]1COC[C@H]1S(C)(=O)=O)c1cc(F)ccc1O 2207474451 RWLRDWFGQFDJHF-RLCGTCKNSA-N 303.355 0.994 10 10 DCCE Cc1ccccc1N1C(=O)NC(=O)C(=CNCCCO)C1=O 2297315498 LFSHJQXTFDNHGH-UHFFFAOYSA-N 303.318 0.434 10 10 DCCE CC(C)(C)S(=O)(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 111072003 JJIJTNGSGZUNCQ-SECBINFHSA-N 317.363 0.811 10 10 DCCE COc1ccc(N2CCN[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1 2162674102 CFFXQSYHCRSGIR-YPMHNXCESA-N 300.355 0.410 10 10 DCCE CCN1CC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1=O 802159592 DCVJDGBDFIJGRV-GFCCVEGCSA-N 307.350 0.821 10 10 DCCE Nc1ccc(NC(=O)C(=O)N2CC[C@H](Cn3ccnn3)C2)cc1 850833763 QQNKBCVDYDSDRY-NSHDSACASA-N 314.349 0.348 10 10 DCCE CN1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O 765227232 IWPDIYLVLOCILL-UHFFFAOYSA-N 318.377 0.464 10 10 DCCE CN(CCCO)C(=O)c1cc(NS(C)(=O)=O)ccc1O 799793372 YMAKBEOPGREYSU-UHFFFAOYSA-N 302.352 0.218 10 10 DCCE C[C@@]12COC[C@@H]1CN(Cc1cc(O)n3ncc(C(=O)O)c3n1)C2 1329355964 YVYQTRVCPOAEDV-BJOHPYRUSA-N 318.333 0.601 10 10 DCCE COc1ccc(O)c([C@H](C)NC(=O)NCCN2CCNC2=O)c1 1479339411 BCQIYRSZLBRFHR-JTQLQIEISA-N 322.365 0.786 10 10 DCCE O=C(N[C@H](CO)[C@H](O)c1ccccn1)c1cccc(O)c1O 1648709861 VAWQECPMRUIMQL-BXUZGUMPSA-N 304.302 0.317 10 10 DCCE COc1c[nH]c(C(=O)NCCc2ccc(O)c(O)c2)cc1=O 1595752108 NXUYWVYUOIWHRA-UHFFFAOYSA-N 304.302 0.767 10 10 DCCE CN1C[C@H](O)[C@H](NCc2c(O)cccc2Br)C1 1942696415 QKRLMIPLONCPKP-PWSUYJOCSA-N 301.184 0.919 10 10 DCCE C[C@]1(NS(=O)(=O)CCOc2ccc(N)cc2)CCOC1 161600811 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10 DCCE CC(C)[C@@H](CN)NS(=O)(=O)CCOc1ccc(N)cc1 2191641607 KOPISZMWNWDAAC-CYBMUJFWSA-N 301.412 0.550 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234170234 BPTUFWSCFYGSPP-KXUCPTDWSA-N 301.372 0.758 10 10 DCCE COc1ccc(N(C)CCN(C)S(C)(=O)=O)c(CO)c1 2235998767 BDOYJJNNVWGVTA-UHFFFAOYSA-N 302.396 0.515 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1 70490839 VNOAMKYURSGKSP-ZIAGYGMSSA-N 314.407 0.871 10 10 DCCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)NCCOC 128330585 VFJUNMAVZWWIDJ-UHFFFAOYSA-N 301.412 0.962 10 10 DCCE CC(=O)N(C(=O)C(=O)NCCCCCO)c1ccc(N)cc1 170318665 HQBZWTSNCXMUEA-UHFFFAOYSA-N 307.350 0.427 10 10 DCCE O=C1N[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CS1 265772826 FEBLDRYHERJBLY-CYBMUJFWSA-N 321.402 0.964 10 10 DCCE CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)CO)nc12 282787433 NIWRPLKKQWWCMS-VIFPVBQESA-N 308.338 0.424 10 10 DCCE Cc1cc(NS(=O)(=O)CCN)ccc1NS(C)(=O)=O 722224117 XEUIDVBXPLFRCB-UHFFFAOYSA-N 307.397 0.067 10 10 DCCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 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0.045 10 10 DCCE C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)Cc1ccc(N)cc1 227102553 ALKSXEWPBUWNIV-ZWNOBZJWSA-N 300.380 0.228 10 10 DCCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1 323454575 VAEHXCLATQLKBU-CHWSQXEVSA-N 300.380 0.480 10 10 DCCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CC(N)=O 787944628 IWIRTNVFWSEZQE-UHFFFAOYSA-N 307.350 0.130 10 10 DCCE CNCCOCCNC(=O)NCc1ccc(N(C)C)c(F)c1 861571081 UKJPQYUFWUMRPM-UHFFFAOYSA-N 312.389 0.927 10 10 DCCE COc1ccc(CNC(=O)NCC2(N)CCOCC2)c(O)c1 861668068 JIRUVFWVIPOJJL-UHFFFAOYSA-N 309.366 0.708 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COC2(CCOCC2)O1 1546254550 PJLQRUHYEUDMFE-LBPRGKRZSA-N 323.345 0.679 10 10 DCCE OCC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1CO 1560231664 YBVYKLVCWNNAIO-IRXDYDNUSA-N 320.433 0.946 10 10 DCCE CN(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cncn1C 1595596080 PSKMHBDQEHHJIW-CQSZACIVSA-N 304.350 0.750 10 10 DCCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)N(C)C[C@@H]3C)c2n1 2063411449 LKICFWKZLVGLED-QWRGUYRKSA-N 303.366 0.908 10 10 DCCE CS(=O)(=O)[C@@H]1COC[C@@H]1NCc1c(O)cccc1Cl 2142467283 QHXGDTRVTAINKZ-CMPLNLGQSA-N 305.783 0.947 10 10 DCCE CCS(=O)(=O)N1CCN(c2ccc(CN)c(F)c2)CC1 2143490810 HZJXAXNQEZXUAM-UHFFFAOYSA-N 301.387 0.756 10 10 DCCE COc1cccc(CN[C@H]2COC[C@H]2S(C)(=O)=O)c1O 2207464781 IGWVOGIVXAUHIM-CMPLNLGQSA-N 301.364 0.302 10 10 DCCE COc1ccc(O)c(CNC(=O)c2[nH]nc3c2CNCC3)c1 188900494 BUTPYRRNTAUUOA-UHFFFAOYSA-N 302.334 0.700 10 10 DCCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1COC(=O)N1 819697905 FBQNGITUQPDSGU-NSHDSACASA-N 322.317 0.392 10 10 DCCE COc1ccc(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c(O)c1 846061806 VBTGUBYOADDWJC-SQUSCZTCSA-N 316.357 0.932 10 10 DCCE Cc1ccc([C@@H](C)NC[C@@]23COCCN2C(=O)COC3)c(O)c1 866554442 RDYGPZRAIDHWFG-DYVFJYSZSA-N 320.389 0.979 10 10 DCCE Cc1nc(N2CCN(C(=O)c3cccc(O)c3O)CC2)n[nH]1 1300185213 AETGCSJYIAJFPD-UHFFFAOYSA-N 303.322 0.487 10 10 DCCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCNCC1 1329505783 ZNCABVVJQLQOPU-UHFFFAOYSA-N 303.362 0.445 10 10 DCCE CC(C)[C@H](N)CCNC(=O)C(=O)N(C)Cc1ccccc1O 1350352966 FAUSBVANESVPSS-CYBMUJFWSA-N 307.394 0.840 10 10 DCCE CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1618753222 RALRTUXRTFLFNU-INIZCTEOSA-N 308.378 0.555 10 10 DCCE Cn1nccc1C1(O)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1644328283 PYDUOYDKRWNCNL-UHFFFAOYSA-N 303.318 0.104 10 10 DCCE COCCNCc1cnc(Sc2nnc(O)n2C)s1 2099110850 JFIQXEXGCCZVTQ-UHFFFAOYSA-N 301.397 0.864 10 10 DCCE N[S@](=O)(=N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)C1CC1 2173781806 YVNXNVPZFLCTCO-LXGOIASLSA-N 300.336 0.598 10 10 DCCE CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234170233 BPTUFWSCFYGSPP-IVZWLZJFSA-N 301.372 0.758 10 10 DCCE CN(C)S(=O)(=O)[C@H]1CCN(c2ccc(CN)c(F)c2)C1 2279259733 UDQZIEYPLIWSFY-LBPRGKRZSA-N 301.387 0.755 10 10 DCCE Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H]2O 4654645 ZEACOKJOQLAYTD-SOUVJXGZSA-N 322.269 0.743 10 10 DCCE biogenic,in-vitro O=C(NCCCNC(=O)C(F)(F)F)c1cc(O)c(O)c(O)c1 216849140 JQCLHTUKKRUTDT-UHFFFAOYSA-N 322.239 0.602 10 10 DCCE C[C@H](CNC(=O)CCOc1ccc(N)cc1)S(C)(=O)=O 704898424 VOLGJCGDTCHKKN-SNVBAGLBSA-N 300.380 0.587 10 10 DCCE CCOc1cccc(CN2CCN(CCN(C)C)C(=O)C2)c1O 846010568 FIDATKBGUDOTTM-UHFFFAOYSA-N 321.421 0.997 10 10 DCCE CC(=O)N1CCO[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 929403127 KAAANDOESKBFQD-HNNXBMFYSA-N 305.378 0.616 10 10 DCCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CCN(C)C)C2)cc1 852844705 YWIOVLRKDZDPOJ-BBRMVZONSA-N 320.437 0.669 10 10 DCCE CCN(Cc1cn(C)nn1)Cc1cc2c(cc1O)OC[C@H]2O 781579694 DRYKKDRHLKHIKI-CQSZACIVSA-N 304.350 0.969 10 10 DCCE C[C@@H](CS(C)(=O)=O)N(C)C(=O)COc1ccc(N)cc1 688540082 FQTJGBNZQRSEJH-JTQLQIEISA-N 300.380 0.539 10 10 DCCE C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 1330504860 WNRCCXLAYRUJID-SJKOYZFVSA-N 316.357 0.729 10 10 DCCE NCC12CC(CN1C(=O)C(=O)N1Cc3cccc(O)c3C1)C2 1348714096 HWGWJMNFXVGXIM-UHFFFAOYSA-N 301.346 0.184 10 10 DCCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CCOC2=O)C1 1452956051 SOJLSRJHPUKJTN-LLVKDONJSA-N 306.318 0.693 10 10 DCCE COCc1n[nH]c(CNC(=O)N2Cc3cccc(O)c3C2)n1 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DCCE CNCCN(C(=O)C(=O)N(C)Cc1ccccc1O)C(C)C 1119611921 ZJHBNIPFVNJFKC-UHFFFAOYSA-N 307.394 0.807 10 10 DCCE CON(C)C(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1298480089 WXIRGCFOTGSRQE-UHFFFAOYSA-N 322.361 0.899 10 10 DCCE C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)CN1 1329116670 ULUMPWCLWZKASD-DGCLKSJQSA-N 305.378 0.607 10 10 DCCE COc1ccc(CNC2CC(N(C)C(=O)CC(N)=O)C2)cc1C 1333049003 LIJCTDYYJLJHAP-UHFFFAOYSA-N 319.405 0.958 10 10 DCCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCN(C2CC2)CC1 1348587672 UZGQTRGDXWWQKW-UHFFFAOYSA-N 315.373 0.541 10 10 DCCE CC[C@H](C)[C@H](NC(=O)CCN1C(=O)CSC1=S)C(=O)O 1865764920 HACIUEUWZASGMY-XVKPBYJWSA-N 318.420 0.852 10 10 DCCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C1(O)CNC1 1952206118 GWMHJFDSSNHRID-CYBMUJFWSA-N 324.377 0.868 10 10 DCCE Cc1c([C@H](NCCN=[N+]=[N-])C(N)=O)c(Br)nn1C 2067823507 JASQAANWIHRCQG-ZETCQYMHSA-N 316.163 0.917 10 10 DCCE CS(=O)(=O)CC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2089661286 YDDVDPOUAHQRDH-SFHVURJKSA-N 306.361 0.074 10 10 DCCE CN1C(C)(C)[C@@H](NCc2ccc(O)c(O)c2)CS1(=O)=O 2151103463 XGCQCTGHARBOAF-LBPRGKRZSA-N 300.380 0.610 10 10 DCCE Cc1cc(NS(=O)(=O)N2CCS(=O)(=O)CC2)ccc1O 2163648849 FFTTWIXBNZYBHC-UHFFFAOYSA-N 320.392 0.088 10 10 DCCE O=S(=O)(C[C@H]1CC[C@H]1O)NCCc1ccc(O)c(O)c1 2178211743 CJEAZHSCGGRNIQ-GHMZBOCLSA-N 301.364 0.331 10 10 DCCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNC[C@H]1CCCO1 2293346918 PINIIOWFDFFERQ-SNVBAGLBSA-N 319.317 0.511 10 10 DCCE