smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2N1S(=O)(=O)Cl 101042879 XPEZICCBZNFVFF-ARQDHWQXSA-N 381.473 1.618 70 40 GDIB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1 216838959 UZFMGISOCMJJIR-UHFFFAOYSA-N 381.542 1.764 70 40 GDIB O=S(=O)(N1CCCC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217854789 MDPVTZWNNPBIQV-ZDUSSCGKSA-N 378.458 1.122 70 40 GDIB C[C@H](/C(O)=N/S(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 84596756 DDLPYOCJHQSVSZ-ZETCQYMHSA-N 375.346 1.935 70 40 GDIB Cc1noc(-c2c(NC(=O)CN3C(=O)CCC3=O)sc3c2CCOC3)n1 217964616 IBNOELGNEAHHNW-UHFFFAOYSA-N 376.394 1.267 70 40 GDIB Cn1cccc1[C@H](O)CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 217944196 LOUPRAKFXKTNEY-QGZVFWFLSA-N 389.477 1.262 70 40 GDIB CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 217784485 YWQIGOWIGNASQT-CYBMUJFWSA-N 396.490 1.319 70 40 GDIB COc1cc(/C=C/C(=O)N2CC(N3C(=O)CSC3=O)C2)cc(OC)c1OC 217746769 CCAOWSARTOGTEV-SNAWJCMRSA-N 392.433 1.632 70 40 GDIB Cc1cc(O[C@@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)cc(=O)n1C 217774119 YKPFDPUNIOMASR-QGZVFWFLSA-N 376.478 1.719 70 40 GDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1cc(C)ccc1OC 216812592 RLJGIKYSMWVWES-UHFFFAOYSA-N 383.514 1.225 70 40 GDIB Cc1ccc(OC[C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 218327275 AONFJNKQZWWNDR-CQSZACIVSA-N 388.445 1.723 70 40 GDIB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 216823510 PARJAGLRHNYRMC-CQSZACIVSA-N 383.489 1.437 70 40 GDIB O=C(/C=C/c1ccc2c(c1)OCO2)N1Cc2cnc(N3CCOCC3)nc2C1 217609307 LNWFDKWWNMQJMV-DUXPYHPUSA-N 380.404 1.598 70 40 GDIB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCN(C)CC2)cc1C 216815035 QAUXOFMRGSONRS-UHFFFAOYSA-N 397.541 1.615 70 40 GDIB COc1c2ccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)cc2nn1C 217680983 GYEKVBLKLVOELD-AGUYFDCRSA-N 392.481 1.267 70 40 GDIB COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 217560223 FSXGQWRJHWGBTG-CQSZACIVSA-N 385.507 1.530 70 40 GDIB C[C@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)c1cccs1 217479121 XIKNGCKFYXVSIK-SFHVURJKSA-N 392.502 1.769 70 40 GDIB Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)ccc1F 217738746 DFJIJMDOEWLZGF-GJZGRUSLSA-N 378.425 1.458 70 40 GDIB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217739657 SUUPTJOJALOFNJ-HUUCEWRRSA-N 394.880 1.973 70 40 GDIB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)CC1 217811595 CXQMRURFEVSGDE-CYBMUJFWSA-N 396.513 1.400 70 40 GDIB Cc1cccc(OCC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)c1C 218627104 SXWNYJZYHCLOSD-UHFFFAOYSA-N 393.451 1.402 70 40 GDIB Cc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)N1CCN(C)CC1 216855952 LADFTHIINVQXCJ-UHFFFAOYSA-N 388.493 1.256 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)s1 217697133 ONBNXWRBXYJNKV-UHFFFAOYSA-N 389.524 1.417 70 40 GDIB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1 217741031 LBBCQWDPXCKQNO-IAGOWNOFSA-N 390.461 1.031 70 40 GDIB O=C(Cc1n[nH]c(=O)c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218060728 MJXGNRGOCLRXCI-UONOGXRCSA-N 376.416 1.273 70 40 GDIB COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216869009 SXYQYCDGVWEBEK-UHFFFAOYSA-N 389.905 1.042 70 40 GDIB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 217767435 LBFDOYOCDCSLPF-STQMWFEESA-N 396.440 1.667 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1 216861520 OBAKFUJBYPALMY-UHFFFAOYSA-N 379.526 1.803 70 40 GDIB Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 216858835 LNIBRVAJVNSYLN-HNNXBMFYSA-N 379.526 1.803 70 40 GDIB COCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216874487 QUGDHBOXVSXKQG-UHFFFAOYSA-N 389.905 1.042 70 40 GDIB CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1N1CCN(C)CC1 216792605 IDEMSZJLUYKDQF-UHFFFAOYSA-N 382.530 1.265 70 40 GDIB COc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 218326278 VXEWBBMOJMTJRE-UHFFFAOYSA-N 388.445 1.589 70 40 GDIB CCc1ccccc1NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 217652969 KWZMJCNHAQMOAZ-UHFFFAOYSA-N 378.440 1.974 70 40 GDIB COc1ccc(N([C@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216936564 DZSQZQPPTJAYIM-OAHLLOKOSA-N 397.541 1.698 70 40 GDIB COc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1Cl 217788719 UZJMGLNXUYFMKZ-VIFPVBQESA-N 390.870 1.807 70 40 GDIB COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216783179 MOIVYGDZYKIWFN-UHFFFAOYSA-N 395.525 1.694 70 40 GDIB Cc1ccc(/C=C/S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 217616952 WVJWEBWZYXLFSE-IZZDOVSWSA-N 386.477 1.938 70 40 GDIB Cc1cc(OC2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)cc(=O)n1C 217757417 XVOVHSMKWDTKBB-UHFFFAOYSA-N 386.832 1.938 70 40 GDIB CCN1CCN(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)C(=O)C1=O 217509970 IJGYVXKXVJXCAR-SFHVURJKSA-N 375.450 1.509 70 40 GDIB Cc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCN(C)CC1 216855920 DYTWOIBPUWTUCP-UHFFFAOYSA-N 388.493 1.256 70 40 GDIB Cc1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1C 216936689 CYOSWOLLTUPXLP-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCC3)c2)CC1 216874057 FNNJZZAEAGUFOA-UHFFFAOYSA-N 385.917 1.902 70 40 GDIB Cc1cc(F)ccc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217615716 WODCOYADFNKCTO-UHFFFAOYSA-N 378.429 1.465 70 40 GDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 216816201 QWCIQRWQNMDWLM-UHFFFAOYSA-N 383.514 1.225 70 40 GDIB COc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216935311 WUTCTXYJHKAMNP-UHFFFAOYSA-N 383.514 1.309 70 40 GDIB COC(=O)c1ccc(S(=O)(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 217674779 XYICNRWSHZYNSK-UHFFFAOYSA-N 398.444 1.977 70 40 GDIB CN1CCC(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 217020307 GVMPOMKBBGZJSE-KRWDZBQOSA-N 381.498 1.062 70 40 GDIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1ccc3c(c1)OCO3)C2 217679073 KGGIAPJDAUCBSD-XUGXEBBFSA-N 378.450 1.500 70 40 GDIB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1C 216818108 ADRFWFHNONKXJU-CQSZACIVSA-N 383.514 1.271 70 40 GDIB COc1ccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)c(OC)c1 217737255 RGEKKYRCNRHVLI-GASCZTMLSA-N 385.420 1.871 70 40 GDIB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]2N1S(=O)(=O)Cl 104278046 XPEZICCBZNFVFF-FSIIMWSLSA-N 381.473 1.618 70 40 GDIB COc1ccc(NC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c(OC)c1 217737404 RGEKKYRCNRHVLI-HUUCEWRRSA-N 385.420 1.871 70 40 GDIB Cc1noc(C)c1S(=O)(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 217981268 QQAQAIJVXKCIJK-ZDUSSCGKSA-N 379.394 1.290 70 40 GDIB O=C(NC1=NN(Cc2ccccc2)C(=O)C1)c1ccc(S(=O)(=O)F)cc1 104242832 LRXGTFDQJISVOY-UHFFFAOYSA-N 375.381 1.821 70 40 GDIB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1Cc2ccccc2C1=O 217953991 BHBXEWHNNPPDPK-YQQAZPJKSA-N 377.444 1.839 70 40 GDIB C[C@@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)c1cccs1 217479048 XIKNGCKFYXVSIK-GOSISDBHSA-N 392.502 1.769 70 40 GDIB CN1CCC(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 216807011 SGQIKONCYUBCAY-UHFFFAOYSA-N 394.324 1.824 70 40 GDIB COc1cccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 217716551 RMKUYZWQAGITDQ-NKMKZGIRSA-N 395.415 1.594 70 40 GDIB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217939859 YLIRRIKVHBZMAG-GVDBMIGSSA-N 377.444 1.847 70 40 GDIB CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(C)c1 216836128 VSENTXJVHGQLJE-UHFFFAOYSA-N 383.514 1.273 70 40 GDIB C[C@H](Oc1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 217966502 SMHKOAFYLVEGEH-HNNXBMFYSA-N 392.481 1.111 70 40 GDIB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217939781 YLIRRIKVHBZMAG-BBWFWOEESA-N 377.444 1.847 70 40 GDIB CNS(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1N1CCN(C)CC1 216789389 ZAQSYAPUWQFFFG-UHFFFAOYSA-N 394.541 1.409 70 40 GDIB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1121221783 OTGKJQRNGMEDPD-KRWDZBQOSA-N 390.436 1.587 70 40 GDIB O=C(c1cnn(-c2ccccc2)n1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217729398 WYYYWSLNIDGCTL-HOTGVXAUSA-N 377.404 1.043 70 40 GDIB O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 217544323 XYOSGPZGUUHXBA-INIZCTEOSA-N 399.472 1.762 70 40 GDIB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 217982026 MUXKESAAJKZWJK-CQSZACIVSA-N 396.371 1.963 70 40 GDIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1 218225921 OWEQSHOZRYXJSP-UHFFFAOYSA-N 386.433 1.819 70 40 GDIB Cc1ccccc1OCC(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 217695874 UYDGHUDGPPODIQ-UHFFFAOYSA-N 377.466 1.572 70 40 GDIB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1 217740869 LBBCQWDPXCKQNO-CALCHBBNSA-N 390.461 1.031 70 40 GDIB CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)s1 217738939 QEIZGPJZMJKGFQ-OKILXGFUSA-N 380.491 1.635 70 40 GDIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1 218226709 HFROXLDUNBDCIP-UHFFFAOYSA-N 392.462 1.881 70 40 GDIB CCN1CCN(C(=O)NCCn2nc(-c3cccs3)cc2C)C(=O)C1=O 217876204 RDQADSIXOHURJR-UHFFFAOYSA-N 375.454 1.320 70 40 GDIB Cc1cc(-c2cccs2)nn1CCNC(=O)N1CCN(S(C)(=O)=O)C1=O 217876306 YSEYFGKNKIQNJP-UHFFFAOYSA-N 397.482 1.327 70 40 GDIB COCCn1c(C)cc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1=O 218006657 FLWSTSSLAUUOMA-DLBZAZTESA-N 397.475 1.533 70 40 GDIB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217729107 XQPYWKJRFGIIFN-IRXDYDNUSA-N 390.443 1.863 70 40 GDIB CC(=O)Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1 217762347 LRYXFXKPNFRZDE-IRXDYDNUSA-N 383.448 1.859 70 40 GDIB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCN(C)CC1 216835387 RIHGOUURTVGBAD-UHFFFAOYSA-N 395.525 1.369 70 40 GDIB O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 217978242 UBULYRXFRVRSPB-UHFFFAOYSA-N 380.495 1.428 70 40 GDIB CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862700 QMLLAWFYHSZKGS-UHFFFAOYSA-N 383.514 1.088 70 40 GDIB COc1ccc(C(=O)N2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216785935 WASCAJKSAIQRMY-UHFFFAOYSA-N 381.498 1.257 70 40 GDIB O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c(O)c(S(=O)(=O)Cl)c1 97950201 WQEIHVADDSTILT-UHFFFAOYSA-N 389.643 1.175 70 40 GDIB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3O)nc12 77286756 YYHOUVFSCFLVRQ-UHFFFAOYSA-N 382.829 1.909 70 40 GDIB in-vitro COc1ccc(N([C@@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216936540 DZSQZQPPTJAYIM-HNNXBMFYSA-N 397.541 1.698 70 40 GDIB Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 217949152 QMJUFQZITXVBPN-QGZVFWFLSA-N 396.447 1.039 70 40 GDIB Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)ccc1F 217738660 DFJIJMDOEWLZGF-GASCZTMLSA-N 378.425 1.458 70 40 GDIB Cc1cc(C)cc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1 216934612 LNHPSYHBXJVFSP-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB O=C(Nc1ccc2c(c1)OCO2)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 217978127 PDRQSNQWLJYOKX-UHFFFAOYSA-N 397.435 1.938 70 40 GDIB O=C(c1cc2ccccc2oc1=O)N1Cc2cnc(N3CCOCC3)nc2C1 217609104 CYTWXMPCMYGRRV-UHFFFAOYSA-N 378.388 1.576 70 40 GDIB Cc1cn2nnc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c2c(=O)[nH]1 217473794 AQKKCFUFQKQUPG-UHFFFAOYSA-N 378.348 1.824 70 40 GDIB CN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1 216809091 QSKRPMRTUZEIBS-UHFFFAOYSA-N 375.494 1.671 70 40 GDIB O=C(Cn1cnc2sccc2c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217715837 XZRFMEFFYCJWRO-QWHCGFSZSA-N 382.445 1.266 70 40 GDIB O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CC(N2C(=O)CSC2=O)C1 217747879 SOODDUHAGFXIDC-CYBMUJFWSA-N 386.433 1.703 70 40 GDIB Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCN(C)CC1 216858810 LNIBRVAJVNSYLN-OAHLLOKOSA-N 379.526 1.803 70 40 GDIB CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 216839873 NORPLACURPBVRX-UHFFFAOYSA-N 381.542 1.906 70 40 GDIB O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 159768976 MGZFAQOCHLBMEU-RBUKOAKNSA-N 398.507 1.673 70 40 GDIB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1cn(C(C)C)cn1 218010332 HOLZYZVMMLHQOA-SFHVURJKSA-N 379.482 1.975 70 40 GDIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(F)c(Cl)c1 218350322 BAMWMKBNOYSXOU-UHFFFAOYSA-N 399.831 1.983 70 40 GDIB COc1ccc(F)cc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217616164 FLWRMPQDLZLGPZ-UHFFFAOYSA-N 394.428 1.165 70 40 GDIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccncc3)cc2)CC1 216884043 VWQWKYBLWSYYGO-UHFFFAOYSA-N 388.493 1.089 70 40 GDIB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12 217549770 YFRHLEFTDXPVOE-UHFFFAOYSA-N 375.450 1.887 70 40 GDIB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 217739859 ZNCLABZBPPSEAR-STQMWFEESA-N 398.843 1.803 70 40 GDIB CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216856625 XEDLRLUDBVQGDQ-UHFFFAOYSA-N 383.514 1.088 70 40 GDIB COc1c(Br)cc(S(=O)(=O)F)c(OC)c1S(=O)(=O)F 675064312 GLFRFMBMWTWYAW-UHFFFAOYSA-N 381.172 1.783 70 40 GDIB Cc1cc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)c(Cl)cc1Cl 217717817 DZRODPQPCXZWQO-UHFFFAOYSA-N 377.249 1.824 70 40 GDIB O=C1CCc2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2N1 217591144 PLJLMXIRCLDPOM-GOEBONIOSA-N 393.443 1.758 70 40 GDIB C[C@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 216942360 CUSJGHKBHAFRNG-CQSZACIVSA-N 385.505 1.828 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@H](C)C1 216864795 NOQGTJLRVMXRIP-HNNXBMFYSA-N 379.526 1.803 70 40 GDIB O=C(c1cc2ccccc2oc1=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217723439 AXMSHFYLXIXHEO-GASCZTMLSA-N 378.384 1.569 70 40 GDIB O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCC2(CC1)OCCO2 217473040 BWZKWLWHTJPYAU-MRXNPFEDSA-N 376.388 1.130 70 40 GDIB Cn1cc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3cccs3)CC2)cn1 217966188 HMLLOYFMBNDELF-AATRIKPKSA-N 380.495 1.418 70 40 GDIB O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217731833 IRSHLSDSSARCDI-PHIMTYICSA-N 379.210 1.818 70 40 GDIB CN1CCC(CCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)CC1 217030766 OBGBFSHIVSTKHH-UHFFFAOYSA-N 393.509 1.459 70 40 GDIB CCc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216937545 TWGSRUDLDSBUBS-UHFFFAOYSA-N 381.542 1.863 70 40 GDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc5c(c3)OCO5)[C@H]4C2=O)no1 217731460 JIZIZFVLJTUEKQ-JPUXWFAOSA-N 395.371 1.637 70 40 GDIB Cc1nnnn1-c1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218020793 ZXSSNBPBAKGCBW-LSDHHAIUSA-N 376.420 1.392 70 40 GDIB Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3ccnc3-c3ccccn3)cc21 217865077 NIDRUKOUMIEMKT-UHFFFAOYSA-N 399.432 1.369 70 40 GDIB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1 217811667 CXQMRURFEVSGDE-ZDUSSCGKSA-N 396.513 1.400 70 40 GDIB CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)s1 217739110 QEIZGPJZMJKGFQ-ZIAGYGMSSA-N 380.491 1.635 70 40 GDIB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1C 216813802 IBOLIDZCEGWRIZ-UHFFFAOYSA-N 383.514 1.225 70 40 GDIB CN(CCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 218769632 ZHTWZCZIVCBZSR-UHFFFAOYSA-N 390.509 1.795 70 40 GDIB COc1ccc(C)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 217767171 CDNOVWNKACHQQB-KBPBESRZSA-N 392.477 1.837 70 40 GDIB CN1CCC(CCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 216939236 YMIGBHJEBNDSFE-UHFFFAOYSA-N 397.497 1.029 70 40 GDIB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NC1CCN(C)CC1 216818378 YHNZIXWHRMCZBH-LLVKDONJSA-N 389.905 1.226 70 40 GDIB Cn1nc(-c2ccccc2)cc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217611767 OUVFCTZWCVUZSG-UHFFFAOYSA-N 390.447 1.870 70 40 GDIB Cc1c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2)cnn1-c1ccccc1 217732677 SEVWWTYTKDSSCX-HDICACEKSA-N 390.443 1.956 70 40 GDIB O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 159769297 MGZFAQOCHLBMEU-MOPGFXCFSA-N 398.507 1.673 70 40 GDIB COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216880163 XMVNJYTVRVQGMI-GFCCVEGCSA-N 389.905 1.041 70 40 GDIB CSc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 217967307 QLZNMLCFNWXLMV-UHFFFAOYSA-N 394.522 1.679 70 40 GDIB Cc1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218428907 KUYLHZIUBOUDEO-UHFFFAOYSA-N 390.461 1.849 70 40 GDIB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 217628132 VCPRJKMIORUCQX-GOSISDBHSA-N 375.450 1.887 70 40 GDIB COc1ccc(Br)cc1CCC(=O)N1CC(N2C(=O)CCC2=O)C1 217716158 LVIVECOZVGIELF-UHFFFAOYSA-N 395.253 1.750 70 40 GDIB COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1Cl 216810334 PMRZKBBLOJYUIQ-UHFFFAOYSA-N 389.905 1.180 70 40 GDIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 217750231 LVYFRALCQUHMKO-UHFFFAOYSA-N 380.369 1.774 70 40 GDIB Cc1cc(OC2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc(=O)n1C 217780166 CXNTUGOHLVYHHW-UHFFFAOYSA-N 394.497 1.703 70 40 GDIB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)c(C)c1 216837287 WRDMTNWRPZKDEJ-UHFFFAOYSA-N 397.541 1.615 70 40 GDIB COc1ccc(NC(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c(OC)c1 217737336 RGEKKYRCNRHVLI-GJZGRUSLSA-N 385.420 1.871 70 40 GDIB Cc1ccc(N2C[C@@H](C(=O)N3CC(N4C(=O)CSC4=O)C3)CC2=O)cc1C 217743962 ASNAVAVFSGOEIK-ZDUSSCGKSA-N 387.461 1.563 70 40 GDIB COc1ccc(C)cc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216936052 PPSMTPUXEOEGCB-UHFFFAOYSA-N 397.541 1.618 70 40 GDIB O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccc2c(c1)OCCO2 217863487 CURJPANHYAMEML-UHFFFAOYSA-N 386.433 1.695 70 40 GDIB O=C(NCC(=O)N1Cc2cnc(N3CCOCC3)nc2C1)OCc1ccccc1 217615170 KJJPJTRYJFISAX-UHFFFAOYSA-N 397.435 1.082 70 40 GDIB Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 217944286 LOUPRAKFXKTNEY-KRWDZBQOSA-N 389.477 1.262 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccco1 216861796 QZDDJXROVRDWAE-UHFFFAOYSA-N 377.466 1.454 70 40 GDIB COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(OC)c1 217610756 PSLYZHXKMPBWCZ-UHFFFAOYSA-N 398.463 1.805 70 40 GDIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)CC1 216876136 AJKQNJXTSALJMX-UHFFFAOYSA-N 397.884 1.799 70 40 GDIB CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 216821923 OZZNIFZFQICLIG-UHFFFAOYSA-N 383.489 1.437 70 40 GDIB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C 217774326 VOAIMZDKQMEUIK-CYBMUJFWSA-N 384.404 1.814 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 218212888 VDHRQVYCQVOPFL-UMVBOHGHSA-N 394.468 1.589 70 40 GDIB CN1CCC(CCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 216942168 NDQBPXHAPFUAKP-UHFFFAOYSA-N 389.468 1.579 70 40 GDIB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217729188 XQPYWKJRFGIIFN-IAGOWNOFSA-N 390.443 1.863 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCN(C)CC3)CC2)cc1 216899636 VXLLDSICZVGUBW-UHFFFAOYSA-N 379.526 1.560 70 40 GDIB O=S(=O)(F)CCN(CCS(=O)(=O)F)CC1(c2ccc(F)cc2)CC1 1615610477 HUNIMKUVHPGDPJ-UHFFFAOYSA-N 385.429 1.758 70 40 GDIB O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217730427 JGUNPJOIGOSTHK-OKILXGFUSA-N 390.237 1.620 70 40 GDIB CCOc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1C 217788381 TXCHIXKVRFJRNV-GFCCVEGCSA-N 384.479 1.852 70 40 GDIB O=S(=O)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OS(=O)(=O)F 100478184 WPXZNFAPXDKDTC-UHFFFAOYSA-N 398.152 1.904 70 40 GDIB O=S(=O)(NCC[C@H](O)C1CCOCC1)c1ccccc1Br 217925835 PYTIMBRWYSPUAJ-ZDUSSCGKSA-N 378.288 1.905 70 40 GDIB CCNC(=O)c1cc(S(=O)(=O)NCCC2CCN(C)CC2)ccc1OC 216949789 IMYJEXCLMMVIDI-UHFFFAOYSA-N 383.514 1.455 70 40 GDIB O=C(c1ccc(C(F)(F)F)nc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217735073 JXIRUSAARQVCQD-CHWSQXEVSA-N 379.338 1.876 70 40 GDIB C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)n1cnc2ccccc2c1=O 217581102 NBSGQDFOHRBDDN-OWCLPIDISA-N 390.443 1.765 70 40 GDIB COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218616132 PDUJWSIOMLVKJU-UHFFFAOYSA-N 399.842 1.682 70 40 GDIB Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCN(C)CC1 216855374 ZQQRSRPJBXVULC-UHFFFAOYSA-N 377.466 1.454 70 40 GDIB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCC1CCN(C)CC1)O2 217029478 GKCUXBDNLHXCHZ-SFHVURJKSA-N 395.525 1.370 70 40 GDIB CN1CCC(CCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 216935020 YUTIZGYZPRCXHN-UHFFFAOYSA-N 387.933 1.954 70 40 GDIB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCN(C)CC2)cc1 216810157 SYTJONBHUQXZQI-UHFFFAOYSA-N 383.514 1.306 70 40 GDIB Cc1c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cnn1-c1ccccc1 217614300 PMFOZIMWZPDIQU-UHFFFAOYSA-N 390.447 1.963 70 40 GDIB CCOc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216935404 UXAKXSJNJKJHIY-UHFFFAOYSA-N 397.541 1.699 70 40 GDIB COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 217560294 FSXGQWRJHWGBTG-AWEZNQCLSA-N 385.507 1.530 70 40 GDIB Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 217949228 QMJUFQZITXVBPN-KRWDZBQOSA-N 396.447 1.039 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccncc1 216862223 XBMNJXMRUTTXOL-UHFFFAOYSA-N 388.493 1.256 70 40 GDIB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217739479 SUUPTJOJALOFNJ-GASCZTMLSA-N 394.880 1.973 70 40 GDIB COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCN2c2nccs2)cc1 217798192 FPRMBYNDVANKJZ-ZDUSSCGKSA-N 381.479 1.877 70 40 GDIB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 217982099 MUXKESAAJKZWJK-AWEZNQCLSA-N 396.371 1.963 70 40 GDIB Cn1c(CNC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)nc2ccccc21 217476394 QRJNGVXCAOEVFY-SFHVURJKSA-N 394.410 1.968 70 40 GDIB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCCc1ccc(F)cc1 218325994 KSQLBXTVGMEYOB-UHFFFAOYSA-N 376.409 1.719 70 40 GDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCCOC(C)C)[C@H]4C2=O)no1 217740081 PUZSNASNLFEFLR-UEABVUSTSA-N 375.425 1.201 70 40 GDIB O=C(NCc1ccnc(N2CCOCC2)n1)c1nccc(N2CCCCC2)n1 217586270 HCWWPQWHXKIZDY-UHFFFAOYSA-N 383.456 1.024 70 40 GDIB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(C(=O)C2(c3ccccc3)CCOCC2)C1 217725111 KJAXZKGQVCQFIK-KDURUIRLSA-N 394.471 1.897 70 40 GDIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 218011712 YCMMUOLLNBYLJT-OAQYLSRUSA-N 398.415 1.703 70 40 GDIB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NC1CCN(C)CC1 216834820 ITKVCPCYDVTEIK-UHFFFAOYSA-N 397.541 1.519 70 40 GDIB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CC(N2C(=O)CSC2=O)C1 217747956 SOODDUHAGFXIDC-ZDUSSCGKSA-N 386.433 1.703 70 40 GDIB CN1CCC(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 216830168 HXBYLUUOSKRLMB-UHFFFAOYSA-N 395.525 1.497 70 40 GDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc5c(c3)OCO5)[C@H]4C2=O)no1 217731544 JIZIZFVLJTUEKQ-CCVOSLTKSA-N 395.371 1.637 70 40 GDIB COc1ccccc1-c1cc(C(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)[nH]n1 217756772 ZFOWPBMSWUGPJA-UHFFFAOYSA-N 394.431 1.996 70 40 GDIB COc1c2ccc(C(=O)N3Cc4cnc(N5CCOCC5)nc4C3)cc2nn1C 217610980 CBBHLIPSANYCRN-UHFFFAOYSA-N 394.435 1.365 70 40 GDIB COc1ccc(S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1C 217616050 WPWCDHACDVKOLW-UHFFFAOYSA-N 390.465 1.335 70 40 GDIB COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216872369 XXLYTZJKZAKARJ-LBPRGKRZSA-N 389.905 1.041 70 40 GDIB O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217731931 IRSHLSDSSARCDI-QWRGUYRKSA-N 379.210 1.818 70 40 GDIB CCOc1ccc(S(=O)(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)cc1F 217757657 WKWDMXPOVGGXTR-UHFFFAOYSA-N 396.440 1.683 70 40 GDIB CN1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[nH]c(=O)c2C1 216845708 GKCSWLYWFCOGLD-UHFFFAOYSA-N 382.873 1.377 70 40 GDIB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216830464 ROIQUQKKZLATGQ-UHFFFAOYSA-N 383.514 1.210 70 40 GDIB CC(C)(C)c1ccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 218562332 QCTTXYWYMKAEGF-UHFFFAOYSA-N 397.541 1.199 70 40 GDIB Cc1ccc(N([C@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216939301 YNDOXDCGAZYMMM-MRXNPFEDSA-N 381.542 1.998 70 40 GDIB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc2ccccc12 218279398 LGNMBDPQVHVVLP-UHFFFAOYSA-N 391.493 1.054 70 40 GDIB COc1cccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 218326197 VLRNSERXOOAFED-UHFFFAOYSA-N 388.445 1.589 70 40 GDIB Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCN(C)CC1 216914081 KLHZOLWUTPTXBC-INIZCTEOSA-N 394.541 1.211 70 40 GDIB C[C@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1 217990929 ZRBURVRFWNOYCS-SFHVURJKSA-N 380.466 1.428 70 40 GDIB C[C@@](O)(CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1cc2ccccc2o1 217990848 ZRBURVRFWNOYCS-GOSISDBHSA-N 380.466 1.428 70 40 GDIB COc1cccc(-c2cc(C(=O)NCCn3cc(-c4nc(C)no4)nn3)[nH]n2)c1 217467593 DBRNXZPOOGKFNZ-UHFFFAOYSA-N 394.395 1.465 70 40 GDIB COc1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1 216935222 QBZLEDQSVSSXHR-UHFFFAOYSA-N 383.514 1.309 70 40 GDIB CS(=O)(=O)N1CCN(C(=O)NCCn2ccc(-c3ccsc3)n2)C1=O 217891547 KGMZIJIGDDBNFW-UHFFFAOYSA-N 383.455 1.018 70 40 GDIB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H]1CCCN(C)C1 216915712 RRFLRNWJDXYNIR-CQSZACIVSA-N 381.498 1.760 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 217814952 SHGYGGUWNFPUOX-UHOFOFEASA-N 377.441 1.029 70 40 GDIB biogenic CN1C[C@@]2(C)CN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@@](C)(C1)[C@H]2O 217838943 YVRACPAMLJHOJU-XGWQRUHWSA-N 381.929 1.989 70 40 GDIB Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)ccc1F 217738836 DFJIJMDOEWLZGF-HUUCEWRRSA-N 378.425 1.458 70 40 GDIB O=C1CCc2cc(S(=O)(=O)NCC[C@@H](O)c3ccsc3)cc3c2N1CC3 217540035 FCPNFGFMPFAGQJ-MRXNPFEDSA-N 392.502 1.985 70 40 GDIB O=C(c1ccc(C(F)(F)F)nc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217734971 JXIRUSAARQVCQD-STQMWFEESA-N 379.338 1.876 70 40 GDIB CN1CCC(CCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 216940278 ZWIDWPCXPUQKGP-UHFFFAOYSA-N 382.530 1.148 70 40 GDIB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCN(C)CC2)cc1 216840505 CSXLNBSIVNZORI-UHFFFAOYSA-N 381.542 1.860 70 40 GDIB O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CN1Cc1ccco1 218043981 LZQCZNAGXAVXAF-XHSDSOJGSA-N 381.432 1.436 70 40 GDIB Cc1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)ccc1F 217766643 XCQCFUJZOQMIBT-STQMWFEESA-N 380.441 1.967 70 40 GDIB Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216853630 CSZOFNIJRPXYSP-UHFFFAOYSA-N 379.526 1.994 70 40 GDIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c(C)c1 216934395 YREDZNVLFYXWCX-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB Cc1c(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)cnn1-c1ccccc1 217732838 SEVWWTYTKDSSCX-QZTJIDSGSA-N 390.443 1.956 70 40 GDIB COc1ccc(C)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217739298 MGHVTIDZFFZWNB-GJZGRUSLSA-N 390.461 1.328 70 40 GDIB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216830638 TWRUBLZBELIAEV-AWEZNQCLSA-N 383.514 1.353 70 40 GDIB O=C(NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCO2)CC1)[C@@H]1Cc2ccccc2CN1 217679437 UEGJVVQPAQWWKI-JWWGGVBKSA-N 399.535 1.919 70 40 GDIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1ccc2c(c1)OCO2 218011627 YCMMUOLLNBYLJT-NRFANRHFSA-N 398.415 1.703 70 40 GDIB O=C(c1ccc(C(F)(F)F)nc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217734898 JXIRUSAARQVCQD-BETUJISGSA-N 379.338 1.876 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCCCCC1 216861542 DGPFOXAETMRBAO-UHFFFAOYSA-N 379.526 1.947 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 216861866 VOLQCLZXCSWMMI-FRQCXROJSA-N 391.537 1.850 70 40 GDIB CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 217784392 YWQIGOWIGNASQT-ZDUSSCGKSA-N 396.490 1.319 70 40 GDIB O=C1[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]2N1S(=O)(=O)Cl 104278041 XPEZICCBZNFVFF-ZXXMMSQZSA-N 381.473 1.618 70 40 GDIB COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216872322 XXLYTZJKZAKARJ-GFCCVEGCSA-N 389.905 1.041 70 40 GDIB CN1CCC(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 217020353 GVMPOMKBBGZJSE-QGZVFWFLSA-N 381.498 1.062 70 40 GDIB Cc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCN(C)CC1 216854960 TYSHUKXIWMZBLR-UHFFFAOYSA-N 379.526 1.947 70 40 GDIB COC(=O)c1ccc(S(=O)(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1 217753151 CXPSDWAPXAUZQS-UHFFFAOYSA-N 379.390 1.187 70 40 GDIB Cc1c(Cl)cccc1S(=O)(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217616279 ZTORXVCQVXJHRQ-UHFFFAOYSA-N 394.884 1.980 70 40 GDIB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cnn(CC4CCOCC4)c3)cc21 218247410 SAXAEMRHUSEGOL-UHFFFAOYSA-N 392.437 1.555 70 40 GDIB Cc1c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)cnn1-c1ccccc1 217732763 SEVWWTYTKDSSCX-ROUUACIJSA-N 390.443 1.956 70 40 GDIB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(n2cc(-c3ccccc3)nn2)C1 217674424 WFVPJMUCXLJVRX-UHFFFAOYSA-N 398.444 1.962 70 40 GDIB CN1C(=O)COc2ccc(C(=O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc21 217558853 NZAWQCXDHMTVRH-GOEBONIOSA-N 393.443 1.506 70 40 GDIB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NC1CCN(C)CC1 216818345 YHNZIXWHRMCZBH-NSHDSACASA-N 389.905 1.226 70 40 GDIB CCn1cc(C(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)c(=O)c2ccc(C)nc21 217751433 DYXHWVGBIWTJGD-UHFFFAOYSA-N 395.415 1.890 70 40 GDIB COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 97977115 LFLPALKFYLXALY-UHFFFAOYSA-N 376.387 1.569 70 40 GDIB CCOc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1C 217788305 TXCHIXKVRFJRNV-LBPRGKRZSA-N 384.479 1.852 70 40 GDIB O=C(C1CCN(c2ncccn2)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218061781 YREDXLAFJRQFFT-DOTOQJQBSA-N 379.464 1.501 70 40 GDIB CCS(=O)(=O)N1C[C@H](C(=O)NCCC2CCN(C)CC2)Oc2ccccc21 216949991 BEVPYFJCRQHYJD-GOSISDBHSA-N 395.525 1.452 70 40 GDIB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)C2=O)cc1 218109999 YMMSOPCVJWSFRQ-VXNCWWDNSA-N 397.475 1.877 70 40 GDIB O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@H](O)c2ccccc2F)nn1 217472945 BPCZKEICYGOBGF-INIZCTEOSA-N 384.367 1.810 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCOC(C)C 216862968 LBCXHYSPVSGEDX-UHFFFAOYSA-N 397.541 1.476 70 40 GDIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1cc(F)ccc1OC 216816031 AQWWFULAWDQGJS-UHFFFAOYSA-N 387.477 1.055 70 40 GDIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCC3)c2)CC1 216873858 YUGRHEAYDKTYBQ-UHFFFAOYSA-N 385.917 1.949 70 40 GDIB C[C@@](O)(CNC(=O)N1CCN(S(C)(=O)=O)C1=O)c1cc2ccccc2s1 217509796 ADRVTEMWDLLQJB-MRXNPFEDSA-N 397.478 1.516 70 40 GDIB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCN(C)CC1 216923206 FDSQPJCFTLTLKC-UHFFFAOYSA-N 381.498 1.760 70 40 GDIB COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN2c2nccs2)cc1 217798290 FPRMBYNDVANKJZ-CYBMUJFWSA-N 381.479 1.877 70 40 GDIB CCN1CCN(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)C(=O)C1=O 217819019 RPZRGWKTDWSXRL-GFCCVEGCSA-N 375.429 1.012 70 40 GDIB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 218109906 YMMSOPCVJWSFRQ-ZMMAXQRCSA-N 397.475 1.877 70 40 GDIB COc1ccc(C)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217739226 MGHVTIDZFFZWNB-GASCZTMLSA-N 390.461 1.328 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 218212950 VDHRQVYCQVOPFL-VNHYZAJKSA-N 394.468 1.589 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2OC)C1=O 217765073 NCPPWPQRFRRFGN-VNQPRFMTSA-N 391.468 1.419 70 40 GDIB biogenic CN1CCN(S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)CC1 216869889 JJHDPGGNQGBVPI-UHFFFAOYSA-N 397.884 1.799 70 40 GDIB Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 217697243 JPYGYRMHVVJVNF-NTEUORMPSA-N 395.506 1.659 70 40 GDIB O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CN1Cc1ccco1 218044059 LZQCZNAGXAVXAF-ARFHVFGLSA-N 381.432 1.436 70 40 GDIB O=C(CCc1nc(-c2ccncc2)no1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217578499 JBZFWAZCRXUDFD-GOEBONIOSA-N 391.431 1.872 70 40 GDIB Cn1nc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc2c1=O 218063295 OBLITNIFCQQLHI-UONOGXRCSA-N 376.416 1.355 70 40 GDIB O=C(c1cc2ccccc2oc1=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217723608 AXMSHFYLXIXHEO-HUUCEWRRSA-N 378.384 1.569 70 40 GDIB O=C(c1cnn(-c2ccccc2)n1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217729304 WYYYWSLNIDGCTL-IYBDPMFKSA-N 377.404 1.043 70 40 GDIB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(C(=O)C2(c3ccccc3)CCOCC2)C1 217725269 KJAXZKGQVCQFIK-RTBURBONSA-N 394.471 1.897 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O 218223552 GUCVUFLGYKMFSD-BYCMXARLSA-N 381.860 1.674 70 40 GDIB CN1CCC(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 216893458 DRHCTBBUKUQIDL-UHFFFAOYSA-N 381.498 1.378 70 40 GDIB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216834264 WQWYEPKLRXPYLT-UHFFFAOYSA-N 383.514 1.306 70 40 GDIB CN1CCC(CCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)CC1 216949134 JRAOBKNPJOOYOF-UHFFFAOYSA-N 382.530 1.391 70 40 GDIB CN(Cc1ccccc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218425417 JSWAIKHBIOWPDV-UHFFFAOYSA-N 390.461 1.882 70 40 GDIB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)COc2ccccc2F)CC1 217696108 FRAORVDHMUZSSZ-UHFFFAOYSA-N 381.429 1.403 70 40 GDIB Cc1ccc(N2C[C@H](C(=O)N3CC(N4C(=O)CSC4=O)C3)CC2=O)cc1C 217743875 ASNAVAVFSGOEIK-CYBMUJFWSA-N 387.461 1.563 70 40 GDIB COc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1OC 217788583 POYZOKTXLOLBBC-SNVBAGLBSA-N 386.451 1.162 70 40 GDIB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1Cl 216817286 HZYZTKOWUHKENS-NSHDSACASA-N 389.905 1.226 70 40 GDIB Cc1ccc(NC(=O)C2CCN(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 216922684 RKYSMBFYLNTNKV-UHFFFAOYSA-N 394.541 1.211 70 40 GDIB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2 218425511 SXLHHBOBXFFACA-UHFFFAOYSA-N 390.461 1.583 70 40 GDIB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 217739926 ZNCLABZBPPSEAR-CHWSQXEVSA-N 398.843 1.803 70 40 GDIB COc1ccc(/C=C/C(=O)NCCn2cc(-c3nc(C)no3)nn2)cc1OC 217466128 PETIDSAIVFYHLG-FNORWQNLSA-N 384.396 1.483 70 40 GDIB O=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cnc(N3CCOCC3)nc2C1 217616387 SPVISLSSWDYMSN-UHFFFAOYSA-N 398.847 1.810 70 40 GDIB Cc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216856917 SJPORWSFKNERJA-UHFFFAOYSA-N 397.541 1.476 70 40 GDIB O=C(c1ccc(Br)o1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217732025 IRSHLSDSSARCDI-GHMZBOCLSA-N 379.210 1.818 70 40 GDIB COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 217757891 ZFFBKIPODUGRMH-UHFFFAOYSA-N 398.868 1.808 70 40 GDIB O=S(=O)(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1 217615821 KVGHEURQBOYGBO-UHFFFAOYSA-N 382.392 1.296 70 40 GDIB COc1cccc2cc(C(=O)N3CC(Oc4cc(C)oc(=O)c4)C3)c(=O)oc12 217752398 OHQPOONBBUSKFR-UHFFFAOYSA-N 383.356 1.967 70 40 GDIB COc1ccc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1Cl 217788802 UZJMGLNXUYFMKZ-SECBINFHSA-N 390.870 1.807 70 40 GDIB CSc1ncccc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 217696000 HTJOPTVLIURDAS-UHFFFAOYSA-N 380.495 1.616 70 40 GDIB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccnc2-c2ccccn2)cc1 217859859 NHGVHUUJBPIOKZ-UHFFFAOYSA-N 399.476 1.625 70 40 GDIB COC(=O)Nc1ccc(S(=O)(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1 217754221 VOWRVCUEGJTMCF-UHFFFAOYSA-N 394.405 1.578 70 40 GDIB CCN1CCN(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)C(=O)C1=O 217510049 IJGYVXKXVJXCAR-GOSISDBHSA-N 375.450 1.509 70 40 GDIB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(S(=O)(=O)CCOc2ccccc2)C1 217740944 LBBCQWDPXCKQNO-IRXDYDNUSA-N 390.461 1.031 70 40 GDIB COc1ccc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1OC 217788501 POYZOKTXLOLBBC-JTQLQIEISA-N 386.451 1.162 70 40 GDIB CCN1CCN(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)C(=O)C1=O 217819092 RPZRGWKTDWSXRL-LBPRGKRZSA-N 375.429 1.012 70 40 GDIB Cc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218429016 YAQOFCDPKHLCKI-UHFFFAOYSA-N 390.461 1.849 70 40 GDIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O 217858941 PKYXDLRUBQMOED-XOKHGSTOSA-N 391.468 1.071 70 40 GDIB biogenic COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 216841882 BMJZWARWTJWQJE-UHFFFAOYSA-N 395.525 1.694 70 40 GDIB COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)cc1 218245375 QULYYZLKRBCNSK-UHFFFAOYSA-N 379.438 1.897 70 40 GDIB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C1CN(C(=O)C2(c3ccccc3)CCOCC2)C1 217725185 KJAXZKGQVCQFIK-OALUTQOASA-N 394.471 1.897 70 40 GDIB COc1ccc(CN(C)C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218415842 IYJRARJUPXYSAF-UHFFFAOYSA-N 391.493 1.967 70 40 GDIB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cc(F)ccc3F)C2)cc(=O)n1C 217774443 VOAIMZDKQMEUIK-ZDUSSCGKSA-N 384.404 1.814 70 40 GDIB Cn1nc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc2c1=O 217983438 FBEQQARIGPYVFK-LSDHHAIUSA-N 390.443 1.284 70 40 GDIB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NC1CCN(C)CC1 216815198 MLYAWQYGZVRDMN-UHFFFAOYSA-N 389.905 1.180 70 40 GDIB O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 159769185 MGZFAQOCHLBMEU-OALUTQOASA-N 398.507 1.673 70 40 GDIB COc1cc(CCC(=O)N2CCOCC2)c(S(=O)(=O)Cl)cc1OC 100026966 PKNISKJWXSNWPA-UHFFFAOYSA-N 377.846 1.423 70 40 GDIB O=C(c1ccc(Cn2cnnn2)cc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218031547 JGKJIFBQKJXCEU-DOTOQJQBSA-N 376.420 1.143 70 40 GDIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1C 216934736 WHGWHYOYCJLAAM-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217730604 JGUNPJOIGOSTHK-ZIAGYGMSSA-N 390.237 1.620 70 40 GDIB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1cn(C(C)C)cn1 218010254 HOLZYZVMMLHQOA-GOSISDBHSA-N 379.482 1.975 70 40 GDIB O=C(/C=C/c1ccc2c(c1)OCO2)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217724116 XMIJMVVJESPKCO-OHOWAWRESA-N 380.400 1.591 70 40 GDIB COC(=O)[C@H](CCSC)NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217532801 UHKOZYRHRPPLCO-MJBXVCDLSA-N 395.550 1.437 70 40 GDIB CCOc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216935463 CGFKLEHBZZJZLJ-UHFFFAOYSA-N 397.541 1.699 70 40 GDIB CN(C)Cc1cccc(CN(CCS(=O)(=O)F)CCS(=O)(=O)F)c1 1615610106 AWPOLWMMSWHAOH-UHFFFAOYSA-N 384.470 1.149 70 40 GDIB O=C(COc1ccccc1F)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 217977288 BZOLFXTXMOKUTP-UHFFFAOYSA-N 386.427 1.722 70 40 GDIB O=C(COc1ccccc1Cl)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218626812 FVXVLPPRCLWBMZ-UHFFFAOYSA-N 399.842 1.438 70 40 GDIB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)n1 218427466 SGURACSKEHCQQC-TXEJJXNPSA-N 378.458 1.680 70 40 GDIB Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)ccc1Br 216950371 YYELJGGYBSLUAC-UHFFFAOYSA-N 384.318 1.890 70 40 GDIB CCOC(=O)c1cn(C)nc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 97977130 SPGLORNNUAKCCH-UHFFFAOYSA-N 391.402 1.056 70 40 GDIB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H]1CCCN(C)C1 216915740 RRFLRNWJDXYNIR-AWEZNQCLSA-N 381.498 1.760 70 40 GDIB CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216885347 WYGRPSBLCWVXKZ-UHFFFAOYSA-N 397.541 1.309 70 40 GDIB Cc1ccc(C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCN(C)CC1 216854935 CGPAHFZXKZYNSH-UHFFFAOYSA-N 379.526 1.803 70 40 GDIB O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCC2(CC1)OCCO2 217473123 BWZKWLWHTJPYAU-INIZCTEOSA-N 376.388 1.130 70 40 GDIB C[C@](O)(CNC(=O)N1CCN(S(C)(=O)=O)C1=O)c1cc2ccccc2s1 217509871 ADRVTEMWDLLQJB-INIZCTEOSA-N 397.478 1.516 70 40 GDIB Cc1cc(OC2CN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)C2)cc(=O)o1 217754005 SDUPABLERPTZAN-DJJJIMSYSA-N 395.477 1.736 70 40 GDIB CCNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1N1CCN(C)CC1 216795169 WTZUFPYQHUDFFK-UHFFFAOYSA-N 394.541 1.363 70 40 GDIB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCC1CCN(C)CC1)O2 217029519 GKCUXBDNLHXCHZ-GOSISDBHSA-N 395.525 1.370 70 40 GDIB COc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(=O)NC(C)C 216949900 PQIWYSPLJULQGT-UHFFFAOYSA-N 397.541 1.844 70 40 GDIB O=C(NC[C@H]1CC[C@H](C(=O)NC[C@H]2CCCO2)CC1)[C@@H]1Cc2ccccc2CN1 217679529 UEGJVVQPAQWWKI-OVQGTLEDSA-N 399.535 1.919 70 40 GDIB O=C(c1cc(-c2cccs2)[nH]n1)N1Cc2cnc(N3CCOCC3)nc2C1 217614837 OVECIMRFCJVUAF-UHFFFAOYSA-N 382.449 1.921 70 40 GDIB C[C@@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 218003379 MEZOJEZPTITGPK-OAQYLSRUSA-N 396.399 1.802 70 40 GDIB O=C(Cn1cnc2ccsc2c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217926078 WJTCSJPVRQONQP-QWHCGFSZSA-N 382.445 1.266 70 40 GDIB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCN(C)CC1 216855468 LKTFASKCPYRZHD-LZLYRXPVSA-N 391.537 1.850 70 40 GDIB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 217628221 VCPRJKMIORUCQX-SFHVURJKSA-N 375.450 1.887 70 40 GDIB O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217851470 YMSZJXDWCOBXSX-CYBMUJFWSA-N 386.437 1.565 70 40 GDIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 217829939 MQGMWVWBOCFXSY-OAHLLOKOSA-N 396.447 1.975 70 40 GDIB COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216880204 XMVNJYTVRVQGMI-LBPRGKRZSA-N 389.905 1.041 70 40 GDIB O=C1COc2ccc(C(=O)CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2N1 217566781 RPOPXSJHBBAGIE-DZGCQCFKSA-N 379.416 1.481 70 40 GDIB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 218417427 XVYOMFQTFOVUCW-UHFFFAOYSA-N 391.493 1.803 70 40 GDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCCOC(C)C)[C@H]4C2=O)no1 217739993 PUZSNASNLFEFLR-RGPZOAQRSA-N 375.425 1.201 70 40 GDIB O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CN1Cc1ccccc1 218083478 IPXLKMFBHIKCOU-OTWHNJEPSA-N 391.471 1.843 70 40 GDIB COc1cc(OC)cc(-c2cc3cnc(S(C)(=O)=O)nc3n(C)c2=O)c1 216828857 NZNGSHXGUXCOGX-UHFFFAOYSA-N 375.406 1.416 70 40 GDIB O=S(=O)(c1ccc(Cl)s1)N1Cc2cnc(N3CCOCC3)nc2C1 217615938 USNWBJAWQITAHT-UHFFFAOYSA-N 386.886 1.733 70 40 GDIB O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F 95676716 LKJIAQKFEYWIKU-UHFFFAOYSA-N 382.153 1.973 70 40 GDIB in-vitro O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2ccccc2)no1 218329237 UFSIWYURNWSHNX-UHFFFAOYSA-N 398.400 1.198 70 40 GDIB COc1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218428053 OROFQWCHZMFZRN-UHFFFAOYSA-N 392.433 1.871 70 40 GDIB CN1CCC(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 216939051 VWLCYLGPKRTDJW-UHFFFAOYSA-N 394.324 1.970 70 40 GDIB Cc1ccc(N([C@@H](C)C(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)cc1 216939275 YNDOXDCGAZYMMM-INIZCTEOSA-N 381.542 1.998 70 40 GDIB O=C([C@H](c1ccccc1)n1cnnn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218102024 AAAHUMSMAVFIEC-GMBSWORKSA-N 376.420 1.070 70 40 GDIB O=C(c1cc2ccccc2oc1=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217723525 AXMSHFYLXIXHEO-GJZGRUSLSA-N 378.384 1.569 70 40 GDIB COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCN(C)CC1 216783627 CXVPKSAESWINKX-UHFFFAOYSA-N 393.465 1.154 70 40 GDIB O=C(c1cnn(-c2ccccc2)n1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217729491 WYYYWSLNIDGCTL-HZPDHXFCSA-N 377.404 1.043 70 40 GDIB CCc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216934837 KWKHOQKCVISYNH-UHFFFAOYSA-N 381.542 1.863 70 40 GDIB Cn1nc(-c2ccccc2)cc1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217729024 XQPYWKJRFGIIFN-CALCHBBNSA-N 390.443 1.863 70 40 GDIB O=C(c1cc(=O)c2ccccc2o1)N1Cc2cnc(N3CCOCC3)nc2C1 217608995 XLGXVWXTBDVOJJ-UHFFFAOYSA-N 378.388 1.576 70 40 GDIB O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2N1S(=O)(=O)Cl 101042875 XPEZICCBZNFVFF-BGPJRJDNSA-N 381.473 1.618 70 40 GDIB COc1cccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)c1 217716446 RMKUYZWQAGITDQ-OCQZMCQHSA-N 395.415 1.594 70 40 GDIB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1Cc2cnc(N3CCOCC3)nc2C1 217614718 YFEYSJXEXJJDGF-UHFFFAOYSA-N 394.410 1.998 70 40 GDIB O=C(CCN1Cc2ccccc2C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218087174 LIUCSAOGRXHLPO-DOTOQJQBSA-N 377.444 1.840 70 40 GDIB CN(C)c1cccc(C(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 217968408 LEHNNFVDHYQPOI-UHFFFAOYSA-N 391.497 1.023 70 40 GDIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 217558160 WNJVSGOFMZODTH-CYBMUJFWSA-N 386.495 1.058 70 40 GDIB O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217851544 YMSZJXDWCOBXSX-ZDUSSCGKSA-N 386.437 1.565 70 40 GDIB C[C@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 218003471 MEZOJEZPTITGPK-NRFANRHFSA-N 396.399 1.802 70 40 GDIB O=C(NCc1ccc2c(c1)OCO2)c1cn(C[C@@H](O)c2ccccc2F)nn1 217472853 BPCZKEICYGOBGF-MRXNPFEDSA-N 384.367 1.810 70 40 GDIB COc1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1F 218642285 TXIQLOSTPOOBPT-UHFFFAOYSA-N 383.387 1.167 70 40 GDIB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1C 216818073 ADRFWFHNONKXJU-AWEZNQCLSA-N 383.514 1.271 70 40 GDIB CC(=O)c1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1 216939113 ZDCATWSFEYLZJY-UHFFFAOYSA-N 395.525 1.503 70 40 GDIB Cc1cc(OC2CN(S(=O)(=O)CCCOc3ccccc3)C2)cc(=O)o1 217753671 RPAMDOPIGYSDFD-UHFFFAOYSA-N 379.434 1.810 70 40 GDIB Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(-n2cnnn2)c1C 217941784 NHWWJAONYQPKLI-JKSUJKDBSA-N 390.447 1.700 70 40 GDIB C[C@@H](Oc1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 217966573 SMHKOAFYLVEGEH-OAHLLOKOSA-N 392.481 1.111 70 40 GDIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccco1 216786696 CTNHZLFYAGRRTE-UHFFFAOYSA-N 393.465 1.154 70 40 GDIB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216830606 TWRUBLZBELIAEV-CQSZACIVSA-N 383.514 1.353 70 40 GDIB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccc(Cl)s3)CC2)cn1 217969164 NPOIVYLAJQNPLY-UHFFFAOYSA-N 388.902 1.672 70 40 GDIB Cc1ccc(OC[C@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 218327353 AONFJNKQZWWNDR-AWEZNQCLSA-N 388.445 1.723 70 40 GDIB CCS(=O)(=O)N1C[C@@H](C(=O)NCCC2CCN(C)CC2)Oc2ccccc21 216949972 BEVPYFJCRQHYJD-SFHVURJKSA-N 395.525 1.452 70 40 GDIB Cc1noc(C)c1S(=O)(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 217981349 QQAQAIJVXKCIJK-CYBMUJFWSA-N 379.394 1.290 70 40 GDIB COc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218426960 UOXPEIDWIJKBLK-UHFFFAOYSA-N 392.433 1.871 70 40 GDIB CN1CCC(CCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 216935063 GEJWPNKOGNLACA-UHFFFAOYSA-N 387.933 1.954 70 40 GDIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccccc1Br 217925924 PYTIMBRWYSPUAJ-CYBMUJFWSA-N 378.288 1.905 70 40 GDIB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCN(C)CC1 216835250 YUGUYIJLCAFDCW-UHFFFAOYSA-N 383.514 1.271 70 40 GDIB COc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216937781 NAEXJTGIVYJIPQ-UHFFFAOYSA-N 383.514 1.309 70 40 GDIB COc1ccc(C)cc1S(=O)(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217739370 MGHVTIDZFFZWNB-HUUCEWRRSA-N 390.461 1.328 70 40 GDIB Cc1ccc(C)c(N(CC(=O)NCCC2CCN(C)CC2)S(C)(=O)=O)c1 216934504 XJMQQRQJOQHKJG-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CN1Cc1ccccc1 218083564 IPXLKMFBHIKCOU-IPMKNSEASA-N 391.471 1.843 70 40 GDIB CCc1ccc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)s1 217739036 QEIZGPJZMJKGFQ-KBPBESRZSA-N 380.491 1.635 70 40 GDIB COc1c2ccc(C(=O)N3CC(Oc4cc(C)n(C)c(=O)c4)C3)cc2nn1C 217756164 ICNNNFUKBGOACA-UHFFFAOYSA-N 382.420 1.492 70 40 GDIB Cc1ccc(Cl)cc1S(=O)(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217739569 SUUPTJOJALOFNJ-GJZGRUSLSA-N 394.880 1.973 70 40 GDIB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)c1 218681286 WUCJFORDQQQTST-UHFFFAOYSA-N 399.480 1.185 70 40 GDIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccnc3)c2)CC1 216876850 WQCFHRWCZBEXES-UHFFFAOYSA-N 394.884 1.923 70 40 GDIB CCCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1 216833208 IZRGQTFAMKHDJK-UHFFFAOYSA-N 383.514 1.354 70 40 GDIB O=C1CCc2cc(S(=O)(=O)NCC[C@H](O)c3ccsc3)cc3c2N1CC3 217540113 FCPNFGFMPFAGQJ-INIZCTEOSA-N 392.502 1.985 70 40 GDIB O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 217544238 XYOSGPZGUUHXBA-MRXNPFEDSA-N 399.472 1.762 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1cccnc1 216862200 PQRAORAFTRIVFV-UHFFFAOYSA-N 388.493 1.256 70 40 GDIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CN3C(=O)CCC3=O)C2)n1 217829866 MQGMWVWBOCFXSY-HNNXBMFYSA-N 396.447 1.975 70 40 GDIB Cc1cc(O[C@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)cc(=O)n1C 217774206 YKPFDPUNIOMASR-KRWDZBQOSA-N 376.478 1.719 70 40 GDIB COC(=O)c1sc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1C 97977120 OWCBBHDQJQXXGJ-UHFFFAOYSA-N 394.427 1.697 70 40 GDIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 217558066 WNJVSGOFMZODTH-ZDUSSCGKSA-N 386.495 1.058 70 40 GDIB COc1ccc2c(ccn2CCNC(=O)CCc2nc3[nH]c(C)cc(=O)n3n2)c1 218491980 QKQHOPNJDTZCLP-UHFFFAOYSA-N 394.435 1.438 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC[C@@H](C)C1 216864769 NOQGTJLRVMXRIP-OAHLLOKOSA-N 379.526 1.803 70 40 GDIB COC(=O)[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)CN1C(=O)OC(C)(C)C 100034457 PFQJVYVNOKTLLI-QMMMGPOBSA-N 375.321 1.529 70 40 GDIB Cn1c(CNC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)nc2ccccc21 217476457 QRJNGVXCAOEVFY-GOSISDBHSA-N 394.410 1.968 70 40 GDIB O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1 217790301 MDPUPAGODNNVJM-LBPRGKRZSA-N 377.447 1.693 70 40 GDIB O=C(c1cncc(Br)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217730518 JGUNPJOIGOSTHK-KBPBESRZSA-N 390.237 1.620 70 40 GDIB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1Cl 216817321 HZYZTKOWUHKENS-LLVKDONJSA-N 389.905 1.226 70 40 GDIB CN1CCC(CCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 216935096 IDAGIDSCHUZLIF-UHFFFAOYSA-N 387.933 1.954 70 40 GDIB O=S(=O)(N1CCCC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217854883 MDPVTZWNNPBIQV-CYBMUJFWSA-N 378.458 1.122 70 40 GDIB CN(CCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 218417832 FHKDBBOANFRLFS-UHFFFAOYSA-N 390.509 1.552 70 40 GDIB O=C(CCS(=O)(=O)c1ccccc1)NCCn1ccnc1-c1ccccn1 217861647 ISKOWPGEDYQGKP-UHFFFAOYSA-N 384.461 1.925 70 40 GDIB C[C@@H](C(=O)NCCC1CCN(C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 216942339 CUSJGHKBHAFRNG-AWEZNQCLSA-N 385.505 1.828 70 40 GDIB CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)cc(N2CCN(C)CC2)n1 216852579 WAXZXPOIQUORDB-UHFFFAOYSA-N 394.526 1.341 70 40 GDIB O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2cccc3cccnc23)C1 217790389 MDPUPAGODNNVJM-GFCCVEGCSA-N 377.447 1.693 70 40 GDIB COc1ccccc1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 218326102 WKVVMLRYWUCAIB-UHFFFAOYSA-N 388.445 1.589 70 40 GDIB CN1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 216829767 VWKIAUOIHHODIS-UHFFFAOYSA-N 381.498 1.060 70 40 GDIB CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1N1CCN(C)CC1 216790059 DTAYRDSEMLEFGB-UHFFFAOYSA-N 388.493 1.599 70 40 GDIB Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCN(C)CC1 216914058 KLHZOLWUTPTXBC-MRXNPFEDSA-N 394.541 1.211 70 40 GDIB COc1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218426853 VFKNRGAQXZDZLB-UHFFFAOYSA-N 392.433 1.871 70 40 GDIB Cc1cccc(C)c1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216936342 JHTMSYFKUBCROC-UHFFFAOYSA-N 381.542 1.918 70 40 GDIB Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)cc1C 217697346 FOIATVGOXYMMNQ-UHFFFAOYSA-N 397.522 1.664 70 40 GDIB O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 159769089 MGZFAQOCHLBMEU-RTBURBONSA-N 398.507 1.673 70 40 GDIB O=C1[C@H]2CC=CC[C@H]2C(=O)N1C1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 217739776 ZNCLABZBPPSEAR-BETUJISGSA-N 398.843 1.803 70 40 GDIB