smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1CN(c1ccc(C(=O)NCCC2CCN(C)CC2)cc1)S(C)(=O)=O 216938197 FICMCGQOYVNGSR-UHFFFAOYSA-N 443.613 3.423 70 40 IGIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)[C@@H]1COc2ccccc2O1 218302475 OEPXGTLTCFTFPS-INIZCTEOSA-N 430.258 3.298 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218247501 CCLFNLVVZAQGCG-KRWDZBQOSA-N 434.558 3.168 70 40 IGIB CC[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 218649301 CHIQLJZRYATXJF-PXNSSMCTSA-N 446.569 3.497 70 40 IGIB Cc1cc(C)cc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218242533 QEWWTSIBRVHBEE-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB CCN(c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(C)(=O)=O 216949498 OPMPUWREGPWOQD-UHFFFAOYSA-N 431.558 3.198 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)n2)c1 218478770 HBHMWFKUDKGOIS-CQSZACIVSA-N 448.932 3.169 70 40 IGIB COc1cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc(OC)c1OC 218129875 KAVDCBDDFXGOGB-UHFFFAOYSA-N 448.273 3.455 70 40 IGIB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1cccc2ccccc12 218279883 NXKFIIWAGRPICG-UHFFFAOYSA-N 442.522 3.034 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 216882605 DCXNYYKUXXMDBA-UHFFFAOYSA-N 442.368 3.323 70 40 IGIB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 218354678 JEGYCUJEVGTZPO-KRWDZBQOSA-N 434.558 3.263 70 40 IGIB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)cc1 216788931 GDJPOWXTWICLRQ-UHFFFAOYSA-N 445.585 3.226 70 40 IGIB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216877866 DFCWFTOKDCVAEL-UHFFFAOYSA-N 435.977 3.399 70 40 IGIB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C(C)(C)C)cc1 216867049 DJTFAJGEXYPROF-GOSISDBHSA-N 443.613 3.411 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)cc1 218244091 GYWXERHFVFHPIR-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cc1 217853494 XCJGVKDIISCFKG-HCWHUNCVSA-N 425.514 3.090 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1nc(-c2ccccc2)no1 218627318 NAWUPPJJFHPPCV-UHFFFAOYSA-N 440.525 3.150 70 40 IGIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccc(C)cc1C 216866219 UNAQBWNXCYUKGL-QHCPKHFHSA-N 443.613 3.429 70 40 IGIB CN1CCC(CCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 216937238 PFANFEBIYPRMPE-UHFFFAOYSA-N 429.586 3.115 70 40 IGIB CCc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 216937308 NWVXRBOOLBUYRI-UHFFFAOYSA-N 443.613 3.292 70 40 IGIB CCCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 218770246 OZYJDHAWTHDFTG-UHFFFAOYSA-N 433.574 3.081 70 40 IGIB COc1ccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c(OC)c1 218259963 DNKSXGWRZSESKK-UHFFFAOYSA-N 448.585 3.342 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3cnc(C)nc3)o2)C1 216657228 MCLZAHDDJJTLIE-CYBMUJFWSA-N 449.920 3.065 70 40 IGIB CC[C@H](C)[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 217747982 SJJPFWCDFGSICB-ZKYUUJBMSA-N 433.512 3.297 70 40 IGIB biogenic CCn1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c(=O)c2ccc(C)nc21 218272935 HPRKWDULVIDKRE-KRWDZBQOSA-N 445.479 3.014 70 40 IGIB COc1ccc(N([C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218275899 JRVFFRJIJOQUFS-GOSISDBHSA-N 448.585 3.386 70 40 IGIB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c(C)c1 216877633 FMHZHGBZKWACHG-UHFFFAOYSA-N 435.977 3.454 70 40 IGIB O=C(c1cc(-c2ccc(Br)s2)n[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218052014 ZIWPNTSPVDDRIP-NWDGAFQWSA-N 445.342 3.322 70 40 IGIB C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 218454488 DIYPQLTZIDIXEQ-MRXNPFEDSA-N 447.532 3.245 70 40 IGIB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1 217877831 JCZVGIKAYNBLSK-UHFFFAOYSA-N 444.582 3.169 70 40 IGIB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1 216857367 SGJFJNJRPJGGMJ-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB CCc1ccccc1N(CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(C)(=O)=O 216934863 PPNCJVQHCZOPRT-UHFFFAOYSA-N 445.585 3.127 70 40 IGIB CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1cccc(Cl)c1 218251361 YLKFHRPLYYHQCI-UHFFFAOYSA-N 435.977 3.065 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)n2)c1 218269333 UTVARAKNFZLWSI-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 218363116 USWQDVFJWCJZLS-QGZVFWFLSA-N 442.541 3.167 70 40 IGIB CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccccc1Cl 218249955 IGQRAJIYYFLASO-UHFFFAOYSA-N 435.977 3.065 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1C 218372092 NOFCBJVTBFMPDE-OAHLLOKOSA-N 448.570 3.228 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 218562494 NXMIRIOPCZWWQO-QGZVFWFLSA-N 448.585 3.342 70 40 IGIB CN(c1ccccc1C(=O)NCc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 218348878 RZODLLLTKBZIHL-UHFFFAOYSA-N 448.504 3.492 70 40 IGIB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 218556257 FIYSDYLQBGKPGV-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB O=S(=O)(Oc1cccc(I)c1Br)C(F)(F)F 642887128 PALIQOXFLGINPQ-UHFFFAOYSA-N 430.967 3.282 70 40 IGIB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)CC1 216870530 JFQDMHTYNDVCGN-UHFFFAOYSA-N 446.331 3.321 70 40 IGIB Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 218582706 BXQFHTJKRCOYOY-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1sc(-n2cccc2)nc1C 217962894 IWHABOUKWNFYGU-HOCLYGCPSA-N 429.473 3.216 70 40 IGIB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(S(C)(=O)=O)cc1 218189491 CXBXUNYXRGBYNY-MDNBWPLSSA-N 433.526 3.397 70 40 IGIB Cc1ccc(C)c(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 218748393 LOCKSRWXXBJIAI-UHFFFAOYSA-N 431.602 3.492 70 40 IGIB Cc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 218514632 ZHQNIXOUAINQMW-UHFFFAOYSA-N 441.597 3.352 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1OC 216641589 SUIANVLBBNNBHI-OAHLLOKOSA-N 447.488 3.461 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)n2)c1 218478852 HBHMWFKUDKGOIS-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)CC1 216875209 QBUBHJLHWWMPNY-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCN(C)CC1 216855850 HJKUJPNARQDPGM-UHFFFAOYSA-N 441.475 3.202 70 40 IGIB CC[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1C 218649487 WTFOUGRTPURQQY-XLIONFOSSA-N 446.569 3.497 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1 218363295 OCZLLNKNTXUMET-KRWDZBQOSA-N 442.541 3.167 70 40 IGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 218353065 XWJLUPJQAVDSBJ-UHFFFAOYSA-N 432.542 3.054 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475493 CDLYGLYFHUBKPO-HUUCEWRRSA-N 440.949 3.087 70 40 IGIB Cc1ccc(Cl)cc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216933040 WXZGHECPTYVWMD-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)COc2ccc(OCc3ccccc3)cc2)C1 217432302 RVDSIYWSIMQRIE-YTFSRNRJSA-N 446.547 3.286 70 40 IGIB CCc1ccc(N(CC(=O)N(CC)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218309267 TTWVGMGSYYVPDA-UHFFFAOYSA-N 448.570 3.175 70 40 IGIB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216795845 OGJXRVQIYQWZAO-UHFFFAOYSA-N 431.558 3.007 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)c1 218371404 MWLIBAFKQBVRIW-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2C)cc1 216933447 SLINKSFGKXYABU-UHFFFAOYSA-N 429.586 3.018 70 40 IGIB CN1CCC(CCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 216943782 BKCSIUITHDMVGH-UHFFFAOYSA-N 447.576 3.254 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)n2)c1 218624479 MRTXKCFVOMCREL-UHFFFAOYSA-N 440.525 3.068 70 40 IGIB O=C(NCc1ccco1)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217713975 IHVIRMVQPZTPDH-FUHWJXTLSA-N 432.480 3.023 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 218240146 QEJDUFSZBXGHMV-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB CCc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)cc1 218309142 CIHNFGJBJYGMPA-UHFFFAOYSA-N 442.541 3.032 70 40 IGIB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1S(=O)(=O)N1CCCC1 218514177 VNIKZYVVAMJEFH-UHFFFAOYSA-N 440.525 3.102 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nnc(-c3cnc(C)nc3)o2)CC1 216637106 LYVZOGBVLZAUEA-UHFFFAOYSA-N 449.920 3.065 70 40 IGIB Cc1ccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1C 218244568 LWMHVHPJGJEPLN-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 218624769 FWWBYOWXBXWGAK-UHFFFAOYSA-N 440.525 3.102 70 40 IGIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 218661218 JBMDTQHPUFPVFL-GOSISDBHSA-N 430.570 3.285 70 40 IGIB O=C(Nc1cccc(F)c1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217517214 DPNUBZLYEMIGGS-UEOMBKFZSA-N 431.467 3.270 70 40 IGIB biogenic O=C(Cc1csc2nc(-c3ccccc3)cn12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217902271 MKFJPJYOCDXALO-FUHWJXTLSA-N 430.533 3.413 70 40 IGIB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 216870679 CHQYQLDFOLDPML-UHFFFAOYSA-N 435.977 3.454 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 218268082 BMILQIDMAFDJMY-OAHLLOKOSA-N 440.949 3.007 70 40 IGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 218368572 SRJULGZEOWNHGO-GOSISDBHSA-N 448.585 3.224 70 40 IGIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CC(C)(C)O2 218770909 XVUBGBWQXCKHHP-LJQANCHMSA-N 431.558 3.270 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 218237733 ATZQLPRIOUTHID-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C 218637186 AYBNMNZXXCONMT-INIZCTEOSA-N 436.961 3.469 70 40 IGIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218646814 VDYVEDISTHBMPA-SJORKVTESA-N 432.542 3.107 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)n2)cc1 218252630 PZSACYQGNXFAPG-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 218288961 MFDRMCVBKFLYHZ-KXBFYZLASA-N 432.542 3.268 70 40 IGIB Cc1cccc(C)c1N(CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(C)(=O)=O 216936373 ZVRRECOAFPYZJK-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 218508815 SVNSUKRFFWEOTA-UHFFFAOYSA-N 436.917 3.472 70 40 IGIB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218450940 QRPZYOKMTZPAMW-OAHLLOKOSA-N 435.521 3.005 70 40 IGIB CCn1cc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c(=O)c2ccc(C)nc21 217662001 UURWGGYFXHTRFP-GOSISDBHSA-N 428.496 3.071 70 40 IGIB CCN(c1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1)S(C)(=O)=O 218784106 GLCUJCHHETVAMC-UHFFFAOYSA-N 428.514 3.103 70 40 IGIB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216870200 GTMLUYGISAPVJJ-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 218368651 SRJULGZEOWNHGO-SFHVURJKSA-N 448.585 3.224 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 218445550 RICFOMIRBJTIMQ-UHFFFAOYSA-N 434.543 3.246 70 40 IGIB O=C(COc1ccc(Cl)cc1)Nc1ccc[n+](Cc2ccc(S(=O)(=O)F)cc2)c1 104170766 DAWPRCRFFRBVKN-UHFFFAOYSA-O 435.884 3.352 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218562845 VHINKSGRNGHPOK-UHFFFAOYSA-N 448.570 3.178 70 40 IGIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 216932311 JOLNKGAXRIUOOM-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 218273519 BCRMRGFGHCEYDZ-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217798620 ZNNZIYIVZCYIRM-OAHLLOKOSA-N 436.443 3.265 70 40 IGIB COc1ccc(CSCC(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 218117441 HBPHDCNXQVAYLL-UHFFFAOYSA-N 429.498 3.312 70 40 IGIB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 218295591 GFNUYRGHBSNUEH-ROUUACIJSA-N 434.558 3.132 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218747122 ZSBGWLCNTXBFKJ-IBGZPJMESA-N 448.585 3.442 70 40 IGIB CN(CCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 218280047 UYJXMBFEALOQOW-UHFFFAOYSA-N 425.554 3.249 70 40 IGIB Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F 217874893 HIZRIYKXJCJFDT-UHFFFAOYSA-N 425.482 3.346 70 40 IGIB COc1cc(CNC(=O)c2ccc(Br)cc2)c(S(=O)(=O)Cl)cc1OC 100027101 JVEXABAQVZTNRH-UHFFFAOYSA-N 448.722 3.324 70 40 IGIB Cc1ccc(C)c(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218551802 CPYFNDNBSFBDNA-KRWDZBQOSA-N 442.541 3.167 70 40 IGIB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 216864144 UUJIVCUHNSYOOA-IBGZPJMESA-N 429.586 3.039 70 40 IGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O 218345966 ZATNTLSACXYBBN-UHFFFAOYSA-N 434.905 3.058 70 40 IGIB COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 218309533 XHACLRYGGHUZEW-UHFFFAOYSA-N 445.324 3.493 70 40 IGIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 217830109 QZLQNNQEQBJIIU-QGZVFWFLSA-N 432.480 3.434 70 40 IGIB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)c1 216641695 FEECCPGTHOMAQH-OAHLLOKOSA-N 447.488 3.461 70 40 IGIB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 218276652 YEYLJLZEOWOMDY-GOSISDBHSA-N 448.585 3.388 70 40 IGIB Cc1cccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1C 218282468 HFTVJJKKHPLXKC-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218279117 BWHOMEYXCXRNHD-IAGOWNOFSA-N 428.489 3.061 70 40 IGIB COc1cccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 218634462 NSEVBWRUVIUJKS-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 218351148 WQZJSXUGEKYHDK-UHFFFAOYSA-N 431.341 3.427 70 40 IGIB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)c1 218254160 LVVGLPZEVDJHND-UHFFFAOYSA-N 438.505 3.331 70 40 IGIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217609631 UHTQUXURYTWUOL-UHFFFAOYSA-N 425.876 3.086 70 40 IGIB Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 216934762 ARWNHKHSCHLZJY-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB Cn1nc2cc(Br)ccc2c1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 217672874 CHZDELPCKRBVGD-UHFFFAOYSA-N 437.301 3.291 70 40 IGIB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1C 216868716 PFLXAUOQMOZUKJ-QFIPXVFZSA-N 429.586 3.121 70 40 IGIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(OCc3ccccc3)cc2)C1 217432221 RVDSIYWSIMQRIE-ZRBLBEILSA-N 446.547 3.286 70 40 IGIB Cc1ccc(C)c(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218748190 WRTTVMIYURRTNA-UHFFFAOYSA-N 442.541 3.216 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1C 218371851 XEDNFDQPICCOTI-KRWDZBQOSA-N 442.541 3.167 70 40 IGIB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218381613 KGFDCJCHYBDYEJ-FQEVSTJZSA-N 443.613 3.417 70 40 IGIB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1 216642528 FQEWNVXRZQAARJ-MRXNPFEDSA-N 444.488 3.402 70 40 IGIB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216862610 BSURFYDUXHAZHP-UHFFFAOYSA-N 429.586 3.308 70 40 IGIB CC(C)C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 216889033 PNNTYOLGZRTNDT-HSZRJFAPSA-N 443.613 3.281 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216939354 HBEIAKNVQBJWKY-GOSISDBHSA-N 445.585 3.261 70 40 IGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 218548577 HKCHNGGMFQNWRF-SFHVURJKSA-N 448.585 3.224 70 40 IGIB Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 217849092 JYNOHJXNZHZNPG-XAUMDUMWSA-N 433.537 3.175 70 40 IGIB Cc1cc(C)cc(N([C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218380947 RCWXLANDUUTXEI-QGZVFWFLSA-N 442.541 3.167 70 40 IGIB Cc1cc(C)cc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216934638 ZHDVQPHITURSFP-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB Cc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 216939786 XDZCOLPWSLRRKQ-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 218288663 GNDAUQDJSFZOEM-DNVCBOLYSA-N 432.542 3.268 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218444379 OQVUZHPPRARCKL-UHFFFAOYSA-N 434.905 3.106 70 40 IGIB Cc1cccc(C)c1N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O 218273019 APAIDYLXZNQNOJ-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCN(C)CC1 216857747 NNVSPKWVHXWZQF-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1nc(-c2ccccc2)no1 218223861 OLWWOGWBUMYGAQ-UHFFFAOYSA-N 448.504 3.248 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 216860161 QDHUCNPTVNFBFI-IBGZPJMESA-N 429.586 3.039 70 40 IGIB CN(CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 218261788 OPOPKTJKWRKBIE-UHFFFAOYSA-N 443.491 3.114 70 40 IGIB CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc(Cl)cc1 218252995 GNDYYZGPJOHJQX-UHFFFAOYSA-N 435.977 3.065 70 40 IGIB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 218557157 GMPDKANRKRMEEP-OAHLLOKOSA-N 440.949 3.007 70 40 IGIB Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 216939805 PWCTWESPZXHTOA-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1cccc(Cl)c1)S(C)(=O)=O 218479387 TYMKZEMIFYKOKE-CQSZACIVSA-N 448.932 3.203 70 40 IGIB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218361225 ZNMJGGPPZGBSOR-QFBILLFUSA-N 434.558 3.434 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366891 XCRMRIWLHUJNFZ-MSOLQXFVSA-N 434.558 3.050 70 40 IGIB CC(C)c1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 216932534 WURSRAHZGTXTDI-UHFFFAOYSA-N 429.586 3.216 70 40 IGIB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3OC)n2)c1 218190795 YGTPGFPEPVVSHM-ZRDIBKRKSA-N 439.468 3.443 70 40 IGIB CN1CCC(CCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 216937884 HANAOOCSZDFWEQ-UHFFFAOYSA-N 429.586 3.115 70 40 IGIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 218746135 IGXJTCBKYDNZMT-UHFFFAOYSA-N 446.504 3.081 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 216882913 FOVSLAHOGHTWCI-UHFFFAOYSA-N 442.368 3.323 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218628713 KRNVHNGUIURRLB-FQEVSTJZSA-N 444.553 3.048 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)cc1 218371500 JJQGFANBAKZYOL-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)c1 218243997 BVXMWHDLXHMHCN-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 218556961 LMPLEJLPBVQFLM-CQSZACIVSA-N 442.940 3.391 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccc(C)cc3)C2)cc1 218774616 LEGCVZJWZWOETF-FQEVSTJZSA-N 430.570 3.153 70 40 IGIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1 216859558 QTFJXZBVZSSUTJ-OAQYLSRUSA-N 429.586 3.121 70 40 IGIB O=C(NC[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1)[C@@H]1Cc2ccccc2CN1 217563670 PJVKHLYIIQDCEK-SVMVAKDDSA-N 449.551 3.033 70 40 IGIB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218469876 XUCRKHXJCGZYIE-CQSZACIVSA-N 437.949 3.271 70 40 IGIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 218648809 WLEKVUYHZLIQGK-DLBZAZTESA-N 432.542 3.107 70 40 IGIB C[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 216942397 BLLJZXNYGHXEBT-INIZCTEOSA-N 449.548 3.092 70 40 IGIB COC(=O)[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217605027 ORLWOMZGAFEECY-WMZOPIPTSA-N 443.443 3.323 70 40 IGIB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 217856701 LSUJMGCATMOWPG-MRXNPFEDSA-N 446.486 3.185 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)n2)cc1 218269414 QXQQLOZQJHSOIT-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217853231 UMUPRAFDMAEBEY-MRXNPFEDSA-N 439.541 3.049 70 40 IGIB O=C(NCCCOc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)F)cc1 100482183 FSHVNZDQGACUTL-UHFFFAOYSA-N 431.829 3.497 70 40 IGIB CCc1ccccc1N(CC(=O)N(CC)Cc1nc(-c2cccs2)no1)S(C)(=O)=O 218246850 FPRGGHLQMRHEJV-UHFFFAOYSA-N 448.570 3.175 70 40 IGIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)c(C)c1 216860221 UDSRATQDSGFPMO-QFIPXVFZSA-N 443.613 3.429 70 40 IGIB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CC2CCN(C)CC2)cc1OC 216896569 KODLVAQBYUTCSN-UHFFFAOYSA-N 439.556 3.347 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccccc3Cl)S(C)(=O)=O)n2)cc1 218249673 JYDQQNRLHMGISU-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB COC(=O)c1sccc1S(=O)(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 217897903 USSWAJBEYYOEIG-UHFFFAOYSA-N 435.527 3.130 70 40 IGIB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216856519 OEFRKFGQPJGYDH-UHFFFAOYSA-N 429.586 3.308 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218383761 DJSJAKAPSKFVTJ-HUUCEWRRSA-N 440.949 3.087 70 40 IGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 218760029 ZTLJJWONHSKPBH-SFHVURJKSA-N 427.457 3.236 70 40 IGIB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 218238219 DUEKWJLURZXAKF-UHFFFAOYSA-N 431.558 3.236 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 216885854 NGQNDRYPAFWHGE-UHFFFAOYSA-N 442.368 3.323 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)n2)cc1 218282106 LFYALIADLJWBFQ-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218437241 HHPJCZXHUSXPMG-NRFANRHFSA-N 438.461 3.010 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1C 217593854 LBRHMYMDTUJVKO-UHFFFAOYSA-N 435.615 3.456 70 40 IGIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 218661283 JBMDTQHPUFPVFL-SFHVURJKSA-N 430.570 3.285 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nnc(-c3cncnc3C)o2)CC1 216638447 LKWDKSVTWJLTSX-UHFFFAOYSA-N 449.920 3.065 70 40 IGIB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)CC1 216869381 GODMCWAWTXFWPP-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB COc1cccc(-c2cc(C(=O)N3CC[C@@H](n4cc(-c5ccccc5)nn4)C3)n(C)n2)c1 217664202 IYHKAKXCUZCXBJ-LJQANCHMSA-N 428.496 3.441 70 40 IGIB COc1ccc(-c2noc(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 218130093 XQTKKJLOLUJNKB-UHFFFAOYSA-N 443.456 3.052 70 40 IGIB Cc1nc2sc([C@@H](c3cccs3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218061680 VAASRWIMSKUICU-PMUMKWKESA-N 439.566 3.237 70 40 IGIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217725946 ZCARHICXNRNDAU-GASCZTMLSA-N 425.872 3.079 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(Cl)ccc1Cl 216861497 OAAMGNAQUBNVIC-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c(C)c1 216934426 BJTQVFBAJVMLNG-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB COc1cc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)ccc1OC(C)C 218456640 XRIROLRZUNHLOX-OAHLLOKOSA-N 438.521 3.092 70 40 IGIB CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216878520 YALBVGRELUTPDR-UHFFFAOYSA-N 439.990 3.250 70 40 IGIB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 218480986 BCSCGOZUYIYNFD-CYBMUJFWSA-N 426.922 3.459 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)n2)cc1 218247922 MMHDSXCTAXWTNI-UHFFFAOYSA-N 442.541 3.251 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1OC 216643790 YARTTXRGELTNEM-AWEZNQCLSA-N 447.488 3.461 70 40 IGIB CCc1ccc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 218308820 BAFJZZPJFDMLJB-UHFFFAOYSA-N 448.932 3.035 70 40 IGIB CCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)s1 217594036 RLFZDXKSTIHVFM-UHFFFAOYSA-N 441.644 3.464 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1 218364194 CGDADIHMKGRGFS-LJQANCHMSA-N 429.586 3.109 70 40 IGIB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217668746 JDUWTEREDJFJRK-OAHLLOKOSA-N 438.431 3.479 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1 218363237 OCZLLNKNTXUMET-QGZVFWFLSA-N 442.541 3.167 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 218270747 OANRBLWVQQOGIN-OAHLLOKOSA-N 440.949 3.007 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)n2)c1 218237463 SIQAEZQZVPYRJC-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB O=C(NCCCCOc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)F)cc1 104155529 BPOAPINUOFFETI-UHFFFAOYSA-N 430.841 3.495 70 40 IGIB O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217822734 KOTMPGGTLGLRNX-SNVBAGLBSA-N 432.365 3.414 70 40 IGIB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218437330 HHPJCZXHUSXPMG-OAQYLSRUSA-N 438.461 3.010 70 40 IGIB Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1Cl 218271284 HLRVEJTWCJBQRF-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 216941242 SBGRSKFYYUBNTF-UHFFFAOYSA-N 439.375 3.401 70 40 IGIB Cc1ccc(C)c(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216934534 WXOVIORWJDQWNX-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)c1 218241957 CPJATIBXCAFBEC-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218451321 XPSREAIXCASXPO-GJZGRUSLSA-N 435.521 3.147 70 40 IGIB CC[C@H](C)[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 217747905 SJJPFWCDFGSICB-JBYOLUDKSA-N 433.512 3.297 70 40 IGIB biogenic Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)n2)c1 218271029 MLKRXIZDBXWBIG-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 218275960 KFNZRTRHTNSCNH-SFHVURJKSA-N 448.585 3.386 70 40 IGIB O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217822827 KOTMPGGTLGLRNX-JTQLQIEISA-N 432.365 3.414 70 40 IGIB Cc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O 218229996 AZYREWFUDZAXNN-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCc1ccccc1Cl 218627789 PLZCDXCDYNLHBI-UHFFFAOYSA-N 436.961 3.032 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 216886526 PPCAFPLUBIKXKE-UHFFFAOYSA-N 442.368 3.323 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccccc1C(F)(F)F 216862147 WOOZEYQOEQVJOR-UHFFFAOYSA-N 441.475 3.202 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cc(C)cc(C)c2)cc1 216933507 HFFFPJTZNSDGER-UHFFFAOYSA-N 429.586 3.018 70 40 IGIB Cc1nc2sc([C@H](c3ccsc3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218022446 REJVJEAFEJEGIX-JOQOYGCGSA-N 439.566 3.237 70 40 IGIB Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 218518253 JZYDFSGGUWODAW-UHFFFAOYSA-N 429.586 3.426 70 40 IGIB COc1cc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)cc1Cl 218454784 LSLYECNXQDGSGS-LLVKDONJSA-N 430.885 3.290 70 40 IGIB O=S(=O)(c1ccc(Br)s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217669046 WSWYIEXYPMMBMM-ZDUSSCGKSA-N 439.360 3.405 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cncnc4C)o3)CC2)cc1C 216638711 CGQRPVVXSCEBFA-UHFFFAOYSA-N 443.529 3.110 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546823 CYSUXBBEDJNOMR-MSOLQXFVSA-N 434.558 3.050 70 40 IGIB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 218556334 FIYSDYLQBGKPGV-CQSZACIVSA-N 448.932 3.169 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCc1ccc(Cl)cc1 218627901 GYKJYIFSJKQNRY-UHFFFAOYSA-N 436.961 3.032 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)n2)c1 218268339 BEPDBGFKPPNKFX-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1c(Cl)cccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216933068 NTLFMXPZFAWDJM-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB O=S(=O)(c1ccc(Br)s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217668965 WSWYIEXYPMMBMM-CYBMUJFWSA-N 439.360 3.405 70 40 IGIB CCc1ccccc1N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O 218246257 UWXUQNHTOGWVFA-UHFFFAOYSA-N 448.932 3.035 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216942239 YTGUSIDXGRCCCL-UHFFFAOYSA-N 431.558 3.198 70 40 IGIB Cc1c(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cnn1-c1ccccc1 217839076 CJPNPXSKPKKCLZ-KRWDZBQOSA-N 429.484 3.116 70 40 IGIB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216859738 SQTZVHTXSCHOPM-UHFFFAOYSA-N 433.599 3.295 70 40 IGIB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 218520918 VDRANYPRMHPFSQ-IBGZPJMESA-N 444.553 3.048 70 40 IGIB COc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 218753624 NMHKASMHWJIBKZ-CQSZACIVSA-N 427.457 3.188 70 40 IGIB C[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218493133 FXQCRPZPTLWJRF-AWEZNQCLSA-N 444.384 3.401 70 40 IGIB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216870126 CJRVQQPHXKATDX-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)n2)cc1 218478960 NNAVFYZHBINQKO-CQSZACIVSA-N 448.932 3.169 70 40 IGIB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217513449 IBWVDLQGQPPIOV-KHGFSPHFSA-N 432.476 3.027 70 40 IGIB Cc1nc2sc([C@H](c3ccc(C)o3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218094032 MRFLHXDCJBJUFU-KHYOSLBOSA-N 437.525 3.077 70 40 IGIB C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1cccc(Cl)c1)S(C)(=O)=O 218479309 TYMKZEMIFYKOKE-AWEZNQCLSA-N 448.932 3.203 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)n2)cc1 218624554 LEJAFPDLILWINR-UHFFFAOYSA-N 440.525 3.068 70 40 IGIB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218769390 URSUFHVECAULDG-UHFFFAOYSA-N 437.521 3.413 70 40 IGIB COc1ccc(OC)c(-c2cc(C(=O)NC[C@](C)(O)c3cc4ccccc4o3)n(C)n2)c1 217992993 FYLANVOLTPHPLV-DEOSSOPVSA-N 435.480 3.488 70 40 IGIB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218646724 VDYVEDISTHBMPA-DLBZAZTESA-N 432.542 3.107 70 40 IGIB COCCn1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 218026406 QFNSWZJJOKBLJS-PZJWPPBQSA-N 433.552 3.418 70 40 IGIB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490418 WVNASKTZJWJYSI-NSHDSACASA-N 445.324 3.193 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)n2)cc1 218271131 DFNKWENLYZLZKW-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB COc1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2)cc1OC 217549479 OTGDTLSQZGMWGQ-FUHWJXTLSA-N 446.507 3.137 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)o3)C2)cc1OC 216643748 YARTTXRGELTNEM-CQSZACIVSA-N 447.488 3.461 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 218279617 HOZGFIBAIZUDHR-QGZVFWFLSA-N 442.537 3.198 70 40 IGIB COc1ccc(OCCCC(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 218742663 ZHQYTBWIOPDGFT-UHFFFAOYSA-N 427.457 3.238 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)n2)c1 218252569 SUWUNJXIILBKCQ-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB COc1cc(/C=C/C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc(OC)c1OC 217663402 QIZQMAGEMCIRBH-JBVUFVISSA-N 434.496 3.458 70 40 IGIB CCN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 218646366 FSOIDKLDJCDFDM-UHFFFAOYSA-N 447.626 3.448 70 40 IGIB Cc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 216939759 RFOLFDZBQSLVOH-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 217582619 GHELZGBQBRYADY-LEUOFYLZSA-N 443.240 3.251 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3cccc(C)c3)C2)cc1 218774825 UXKLIDBTTMKZNQ-FQEVSTJZSA-N 430.570 3.153 70 40 IGIB Cc1nc2sc([C@@H](c3ccc(C)o3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218094116 MRFLHXDCJBJUFU-QMTMVMCOSA-N 437.525 3.077 70 40 IGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 218486232 UHLDCFBUFFVDRK-CQSZACIVSA-N 442.940 3.391 70 40 IGIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)CC1 216875148 OXJRFIJZCBGOMF-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)c1 216641735 FEECCPGTHOMAQH-HNNXBMFYSA-N 447.488 3.461 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 218268149 BMILQIDMAFDJMY-HNNXBMFYSA-N 440.949 3.007 70 40 IGIB C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218387564 DABNWHARWCYRCS-CQSZACIVSA-N 448.932 3.203 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 218650892 VQOIYMDNVYBXDN-QGZVFWFLSA-N 432.542 3.456 70 40 IGIB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 217593540 HKZWJHOQUQDAOW-UHFFFAOYSA-N 427.530 3.274 70 40 IGIB CCCCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216786129 XYFXRPODIFNURV-UHFFFAOYSA-N 445.585 3.226 70 40 IGIB CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216871161 ZSHMBNQRFKQIMV-UHFFFAOYSA-N 439.990 3.250 70 40 IGIB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1sc(-n2cccc2)nc1C 217962637 IWHABOUKWNFYGU-GDBMZVCRSA-N 429.473 3.216 70 40 IGIB COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1C 218522680 MOPKWZMHOJQUJU-UHFFFAOYSA-N 436.917 3.472 70 40 IGIB Cc1cccc(C)c1N(CC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O 218273740 SLHRBIBPPORXLK-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1C 218373413 ZSBUKOSEWWBKOA-HXUWFJFHSA-N 443.613 3.417 70 40 IGIB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218279288 BWHOMEYXCXRNHD-IRXDYDNUSA-N 428.489 3.061 70 40 IGIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216858051 BBZXQGYIIHOXEZ-IBGZPJMESA-N 429.586 3.039 70 40 IGIB COC(=O)[C@H]1C[C@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217604851 ORLWOMZGAFEECY-FUHWJXTLSA-N 443.443 3.323 70 40 IGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O 218486339 MVNSEUUWAFOBIM-HNNXBMFYSA-N 440.949 3.007 70 40 IGIB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218490493 WVNASKTZJWJYSI-LLVKDONJSA-N 445.324 3.193 70 40 IGIB Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1S(=O)(=O)N1CCCCC1 218506917 QFUWSNRVXNGQFC-UHFFFAOYSA-N 440.525 3.150 70 40 IGIB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1Cl 216876790 XEDYIHNWUPHKOK-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 216644717 RRCMPYAVWJXGMI-HNNXBMFYSA-N 444.488 3.402 70 40 IGIB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OCC 218456527 OHWVMLZTIUSGOL-HNNXBMFYSA-N 438.521 3.094 70 40 IGIB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218451012 QRPZYOKMTZPAMW-HNNXBMFYSA-N 435.521 3.005 70 40 IGIB Cc1cc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(C)c1Cl 218708216 UMISFZMSHCNLLM-KRWDZBQOSA-N 436.961 3.257 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)n2)c1 218386967 KJYLVYQGPUEXFR-CQSZACIVSA-N 448.932 3.169 70 40 IGIB CC[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1C 218649649 WTFOUGRTPURQQY-PXNSSMCTSA-N 446.569 3.497 70 40 IGIB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)cc1C 218765193 DTRIWCDXLGMAKG-IBGZPJMESA-N 432.542 3.456 70 40 IGIB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218525161 RYWBEWNPDYGUIL-UHFFFAOYSA-N 446.916 3.105 70 40 IGIB CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 216885745 HJBZOJHTDUWSGU-UHFFFAOYSA-N 429.586 3.359 70 40 IGIB CCc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216937579 HGLYNQUGKHIPDR-UHFFFAOYSA-N 445.585 3.127 70 40 IGIB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1C 218280717 ATGRZOMDUMVQKL-UHFFFAOYSA-N 431.558 3.236 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366824 XCRMRIWLHUJNFZ-ZWKOTPCHSA-N 434.558 3.050 70 40 IGIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)CC1 216878906 MZRGDRSLEVLOTR-UHFFFAOYSA-N 427.998 3.119 70 40 IGIB Cc1cc(C)cc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 216932378 DJDIPNQCWTZLNF-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218444488 OAWSMNGQKKOUFQ-UHFFFAOYSA-N 434.905 3.106 70 40 IGIB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1nc(-c2ccccc2)no1 218653541 QHGNQANMOZHCGY-UHFFFAOYSA-N 448.504 3.495 70 40 IGIB CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)c1 216877306 YJZDEDZCXSIUAJ-UHFFFAOYSA-N 439.990 3.250 70 40 IGIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 216937116 ZFBZXXGXFJEVQD-UHFFFAOYSA-N 447.576 3.178 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1 218364121 CGDADIHMKGRGFS-IBGZPJMESA-N 429.586 3.109 70 40 IGIB Cc1ccc(Cl)cc1N(CCCC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O 216943523 MFSRWEPSKPSPGQ-UHFFFAOYSA-N 430.014 3.043 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 218247435 CCLFNLVVZAQGCG-QGZVFWFLSA-N 434.558 3.168 70 40 IGIB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217853322 UMUPRAFDMAEBEY-INIZCTEOSA-N 439.541 3.049 70 40 IGIB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 218295782 JZYMDJFGMCTMPV-ZWKOTPCHSA-N 434.558 3.132 70 40 IGIB CCc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2Cl)no1)S(C)(=O)=O 218246157 UVZQUHIFHGPOAJ-UHFFFAOYSA-N 448.932 3.035 70 40 IGIB COc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 218523680 HRTHLZWUQHUQLT-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1 217476217 MBVNGYYYTNUXFT-LJQANCHMSA-N 435.415 3.248 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216872570 YBYWVRACBMHPBF-MRXNPFEDSA-N 435.977 3.076 70 40 IGIB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216876607 GHPDQZYLQPSZEN-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 218255817 HUHLWSGEIMKPBP-UHFFFAOYSA-N 438.505 3.331 70 40 IGIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)[C@H]1COc2ccccc2O1 218302503 OEPXGTLTCFTFPS-MRXNPFEDSA-N 430.258 3.298 70 40 IGIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccc(C)c(C)c1 216866121 CSNUIKSLFIRVRC-HSZRJFAPSA-N 443.613 3.429 70 40 IGIB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 218479947 BAZLOADLJALBDD-AWEZNQCLSA-N 440.949 3.170 70 40 IGIB O=C(CCS(=O)(=O)c1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1 217879246 GNOMNDDLURGGDJ-UHFFFAOYSA-N 429.567 3.469 70 40 IGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 218480282 NJXONKKJVFTRQH-CQSZACIVSA-N 442.990 3.412 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 218269042 PVHXXJQWCQTQCO-OAHLLOKOSA-N 440.949 3.007 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)cc1Cl 216863900 SAPXEXLUGHEISN-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB COc1ccc(OC)c(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 218260624 ZLKNSMQFCZSVRX-UHFFFAOYSA-N 448.585 3.342 70 40 IGIB CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218644548 ZIDIEOCMIFVULU-UHFFFAOYSA-N 434.905 3.424 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218445351 SANXCAMUNYDCHQ-UHFFFAOYSA-N 448.932 3.448 70 40 IGIB CN1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)CC1 217022183 IDSDQUKLAXGCRD-UHFFFAOYSA-N 437.949 3.437 70 40 IGIB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218451102 XPSREAIXCASXPO-HUUCEWRRSA-N 435.521 3.147 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 218763065 YEXPLWQLPRQXCN-FQEVSTJZSA-N 446.569 3.184 70 40 IGIB Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl 216933099 MJHNHFKJRXLXDO-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1 216880701 SQQSBJFABYNISD-HXUWFJFHSA-N 435.977 3.157 70 40 IGIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cc(=O)c2ccccc2o1 217645533 DQAIDAGCEPVYOI-UHFFFAOYSA-N 425.404 3.476 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218384006 DJSJAKAPSKFVTJ-GJZGRUSLSA-N 440.949 3.087 70 40 IGIB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2 218765472 AGGAKIDXGCVXFB-KRWDZBQOSA-N 432.542 3.108 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 218771074 WZUYXSGJLIBZBH-LJQANCHMSA-N 431.558 3.270 70 40 IGIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)c(C)c1 218237130 LLLOBWZKXAIDFX-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 218362478 GBWZOVLOWZRQGD-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218646896 VDYVEDISTHBMPA-IRXDYDNUSA-N 432.542 3.107 70 40 IGIB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1sc(-n2cccc2)nc1C 217962724 IWHABOUKWNFYGU-GOEBONIOSA-N 429.473 3.216 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)n2)cc1 218745988 MSYBWMIWYSQWGY-UHFFFAOYSA-N 446.504 3.047 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)c1 218371326 MWLIBAFKQBVRIW-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c1 218241596 AIONWBUFFJCEFJ-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1 218235242 ZFKAXFYVOCQUSM-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 218253439 GAYDOTHNRCIRBU-OAHLLOKOSA-N 439.375 3.353 70 40 IGIB COc1ccc(CNC(=O)c2ccc(I)cc2)c(OC)c1OC 218212896 HLZRTLPTMHNLLI-UHFFFAOYSA-N 427.238 3.247 70 40 IGIB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218452957 HTBSYNXBTSPSQL-NSHDSACASA-N 428.869 3.059 70 40 IGIB Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)c1 218239561 ODJLEAUAFFTLHK-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB COc1ccc(CCC(=O)N2CC(N3C(=O)CSC3=O)C2)cc1OCc1ccccc1 217744619 PAAZLDHLSOUDHZ-UHFFFAOYSA-N 440.521 3.113 70 40 IGIB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218453080 JSEONJXMYLYHGB-OAHLLOKOSA-N 435.521 3.149 70 40 IGIB COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)ccc1Cl 218452762 FBFNDWLVCSPLLR-NSHDSACASA-N 428.869 3.059 70 40 IGIB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 216872877 TUSABEAZXQENPH-LJQANCHMSA-N 435.977 3.157 70 40 IGIB CCc1ccccc1N(CC(=O)N(C)Cc1nc(-c2cccc(C)c2)no1)S(C)(=O)=O 218246539 NDJLHPIUKPFYKI-UHFFFAOYSA-N 442.541 3.032 70 40 IGIB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OCC 218456435 OHWVMLZTIUSGOL-OAHLLOKOSA-N 438.521 3.094 70 40 IGIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CC(C)(C)O2 218770821 XVUBGBWQXCKHHP-IBGZPJMESA-N 431.558 3.270 70 40 IGIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccc(C)c(C)c1 216866149 CSNUIKSLFIRVRC-QHCPKHFHSA-N 443.613 3.429 70 40 IGIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccc3noc(-c4ccccc4)c3c1)C2 217683273 YFJKPACDQBTVSC-ROUUACIJSA-N 425.510 3.180 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 216885631 MBUBKHAYOUTCOT-UHFFFAOYSA-N 441.475 3.035 70 40 IGIB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218451249 XPSREAIXCASXPO-CABCVRRESA-N 435.521 3.147 70 40 IGIB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218452874 HTBSYNXBTSPSQL-LLVKDONJSA-N 428.869 3.059 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCN(C)c1ccccc1 218630769 HQBGSFQRMXNPKU-UHFFFAOYSA-N 429.586 3.426 70 40 IGIB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 217696342 WBVJBGUEZOTJCK-UHFFFAOYSA-N 437.521 3.123 70 40 IGIB CCc1cccc(CC)c1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216884804 HDILOKHKTVPCQK-UHFFFAOYSA-N 429.586 3.141 70 40 IGIB CN1CCC(Oc2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1 217035631 OWBGNUFXQCYHMV-UHFFFAOYSA-N 445.585 3.345 70 40 IGIB Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217852761 OGQKKFSVNZBCRS-AWEZNQCLSA-N 433.921 3.132 70 40 IGIB COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 218377704 PWSDXVLNZSHRHM-SFHVURJKSA-N 448.585 3.224 70 40 IGIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1C 218243649 IKHCGAVMMJSVCA-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB CSc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(=O)N1CCCCC1 217017041 TWETVCZNWAZOHL-UHFFFAOYSA-N 439.647 3.045 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218376055 ITSJOOJRRYQHEP-MSOLQXFVSA-N 434.558 3.050 70 40 IGIB COc1ccc(NC(C)=O)cc1NC(=O)CCc1c(C)[nH]c2c3ccccc3nn2c1=O 218436823 NAJIKNTXYVFPRO-UHFFFAOYSA-N 433.468 3.023 70 40 IGIB Cc1cc(Cl)ccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216932999 ILSXTDUXOHHSTF-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB Cc1ccc(C)c(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 216932343 CGNPYRGSEUILMP-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 218288715 GNDAUQDJSFZOEM-KXBFYZLASA-N 432.542 3.268 70 40 IGIB Cc1ccc(C(=O)NCCCOc2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)F 104154976 VPCDWLMBEURNST-UHFFFAOYSA-N 430.841 3.414 70 40 IGIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217726021 ZCARHICXNRNDAU-GJZGRUSLSA-N 425.872 3.079 70 40 IGIB COc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218275852 JRVFFRJIJOQUFS-SFHVURJKSA-N 448.585 3.386 70 40 IGIB COc1ccccc1-c1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)n(C)n1 218276737 JPLNRSLSMQXRHO-QGZVFWFLSA-N 445.479 3.385 70 40 IGIB CC(C)C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 216889076 PNNTYOLGZRTNDT-QHCPKHFHSA-N 443.613 3.281 70 40 IGIB Cc1ccc(C)c(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(=O)(=O)N(C)C)c1 218766577 QFGWBEXHNQLMRP-IBGZPJMESA-N 445.585 3.335 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)n2)c1 218513862 CHFYUFHBFCSUMA-UHFFFAOYSA-N 440.525 3.068 70 40 IGIB CCS(=O)(=O)N(CC(=O)NCCCc1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 218765304 TZLANTZHJSDVOB-UHFFFAOYSA-N 446.569 3.444 70 40 IGIB Cc1cccc(C)c1N(CC(=O)NCc1nc(-c2ccccc2Cl)no1)S(C)(=O)=O 218272926 CASMPICRULLDEM-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB CN(CCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1 218297080 CAXBWKYTXAHEMK-UHFFFAOYSA-N 444.384 3.402 70 40 IGIB CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1 216938305 VBEQINSDOLZASS-UHFFFAOYSA-N 445.404 3.462 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 218242220 JQHYLUOONMMGDZ-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218293991 CEAQWWMLXQQBIR-QGZVFWFLSA-N 434.558 3.343 70 40 IGIB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(C)c(C)c1 218766185 QTVBGRWACLNIMO-HXUWFJFHSA-N 446.569 3.498 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nnc(-c3cnc(C)nc3)o2)C1 216657277 MCLZAHDDJJTLIE-ZDUSSCGKSA-N 449.920 3.065 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216939330 HBEIAKNVQBJWKY-SFHVURJKSA-N 445.585 3.261 70 40 IGIB COc1cc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)cc1Cl 218251546 KSBCAOWXVICSQT-UHFFFAOYSA-N 433.313 3.415 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 218648743 WLEKVUYHZLIQGK-IAGOWNOFSA-N 432.542 3.107 70 40 IGIB Cc1ccc(/C=C/S(=O)(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cc1 217853426 XCJGVKDIISCFKG-RXNMKEHESA-N 425.514 3.090 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 218269110 PVHXXJQWCQTQCO-HNNXBMFYSA-N 440.949 3.007 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3ccccc3Cl)S(C)(=O)=O)n2)c1 218249602 AJRRVMAJNKQZOE-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1)N(c1ccccc1)S(C)(=O)=O 218292142 BIHSCTHTYFGBOT-CQSZACIVSA-N 448.932 3.203 70 40 IGIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 218646651 VDYVEDISTHBMPA-IAGOWNOFSA-N 432.542 3.107 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1 218362304 IJRKDAXUISNFPG-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB O=C([C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCc2ccccc2C1 218437087 ZMULBWJQHFUCQA-HSZRJFAPSA-N 434.517 3.228 70 40 IGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 218288899 MFDRMCVBKFLYHZ-DNVCBOLYSA-N 432.542 3.268 70 40 IGIB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 218479876 BAZLOADLJALBDD-CQSZACIVSA-N 440.949 3.170 70 40 IGIB Cc1cc(C)cc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218380883 RCWXLANDUUTXEI-KRWDZBQOSA-N 442.541 3.167 70 40 IGIB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCc2ccccc21)c1ccc(F)cc1 218746357 SKJFSPMAVFJWDY-UHFFFAOYSA-N 447.576 3.331 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)c(C)c2)cc1 216933538 RWNQOFKNYFXICM-UHFFFAOYSA-N 429.586 3.018 70 40 IGIB CCn1cc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)nc1C 217646167 DEGDTDMNASODKC-INIZCTEOSA-N 446.392 3.419 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 218625804 MGGYLMZVXPHNAH-GOSISDBHSA-N 446.569 3.376 70 40 IGIB Cc1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 216932250 VFKSKVZUCIHQDL-UHFFFAOYSA-N 429.586 3.038 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 218363575 RJGYIMOEAIGPOP-OAHLLOKOSA-N 448.570 3.310 70 40 IGIB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1sc(-n2cccc2)nc1C 217962815 IWHABOUKWNFYGU-ZBFHGGJFSA-N 429.473 3.216 70 40 IGIB Cc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c1 218232540 CFJPNTMLAFFNJW-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 216882426 CHQMYKAASKHQOK-UHFFFAOYSA-N 441.475 3.035 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cc(C)ccc2C)cc1 216933477 CQQQEIDYEGMOQK-UHFFFAOYSA-N 429.586 3.018 70 40 IGIB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 217856775 LSUJMGCATMOWPG-INIZCTEOSA-N 446.486 3.185 70 40 IGIB Cc1cccc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)c1C 218281773 ZGJFJLJYSRLXLH-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB CC(C)Oc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 218769507 HSHQHKZAFCQDDI-UHFFFAOYSA-N 433.574 3.079 70 40 IGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 218548501 HKCHNGGMFQNWRF-GOSISDBHSA-N 448.585 3.224 70 40 IGIB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC2CCN(C)CC2)cc1 216938918 LQEZHZXFOGQMJL-UHFFFAOYSA-N 429.586 3.282 70 40 IGIB C[C@H](C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1)N(c1ccccc1)S(C)(=O)=O 218292269 JGNQWDNPVMWRCJ-CQSZACIVSA-N 448.932 3.203 70 40 IGIB COc1ccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 218276370 KFRVSXSRABFJCR-HNAYVOBHSA-N 432.542 3.268 70 40 IGIB COc1cccc(-c2noc(CNC(=O)c3ccc(I)cc3)n2)c1 218215476 WWDRVFSYHQKNPD-UHFFFAOYSA-N 435.221 3.280 70 40 IGIB COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 218296751 CECHYAPYVHASFJ-UHFFFAOYSA-N 431.341 3.427 70 40 IGIB COc1ccc(CCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1OC 218512321 ZEUKNCMUWAHFBE-UHFFFAOYSA-N 446.569 3.159 70 40 IGIB CC1(C)Cc2ccccc2-c2nc(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)[nH]c(=O)c21 217559843 SLGXSNNENSNSAR-FUHWJXTLSA-N 428.536 3.052 70 40 IGIB COc1ccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC 218261304 HXDSFTLOEOYXGZ-UHFFFAOYSA-N 448.585 3.342 70 40 IGIB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C(C)(C)C)cc1 216867073 DJTFAJGEXYPROF-SFHVURJKSA-N 443.613 3.411 70 40 IGIB Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N1CCCCC1 218507005 HGQHIPYUIIQLCV-UHFFFAOYSA-N 446.554 3.211 70 40 IGIB COc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 218523778 FWASUQSYJMOCCI-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218582786 PUCYMBIMSJLGIF-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 218295721 JZYMDJFGMCTMPV-ROUUACIJSA-N 434.558 3.132 70 40 IGIB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 216864120 UUJIVCUHNSYOOA-LJQANCHMSA-N 429.586 3.039 70 40 IGIB Cc1ccc(CN(c2ccc(C(=O)NCCC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 216937924 SAPVRIPOYVUDHI-UHFFFAOYSA-N 443.613 3.423 70 40 IGIB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 218288612 GNDAUQDJSFZOEM-BEFAXECRSA-N 432.542 3.268 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218628645 KRNVHNGUIURRLB-HXUWFJFHSA-N 444.553 3.048 70 40 IGIB O=C(NCCCOc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(S(=O)(=O)F)c1 100482545 QOMZLJZXJAZJKS-UHFFFAOYSA-N 431.829 3.497 70 40 IGIB Cc1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)c(Cl)cc1Cl 217768772 WDJQEDDUEAECJC-RYUDHWBXSA-N 431.341 3.135 70 40 IGIB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCc2ccccc2C1 218437007 ZMULBWJQHFUCQA-QHCPKHFHSA-N 434.517 3.228 70 40 IGIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 216883980 VBPQISBFSSCDQF-UHFFFAOYSA-N 441.475 3.035 70 40 IGIB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218762950 PHKZRPAZMNIADF-FQEVSTJZSA-N 446.569 3.184 70 40 IGIB COC(=O)[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217604773 ORLWOMZGAFEECY-SJLPKXTDSA-N 443.443 3.323 70 40 IGIB CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 216865573 ZCWZVWHZTQKQTB-UHFFFAOYSA-N 433.599 3.295 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)n2)cc1 218551509 XCZCIJPEYBHHBX-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)c(C)c1 216808907 RXDLKBBFYKVYRY-UHFFFAOYSA-N 435.634 3.146 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1 216865334 SRQXIHLIZQCCHG-IBGZPJMESA-N 429.586 3.039 70 40 IGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 218486149 UHLDCFBUFFVDRK-AWEZNQCLSA-N 442.940 3.391 70 40 IGIB CN(Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1)S(C)(=O)=O 218762448 FRADIOYCVPCAMR-UHFFFAOYSA-N 432.542 3.417 70 40 IGIB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)c(C)c1 216860196 UDSRATQDSGFPMO-JOCHJYFZSA-N 443.613 3.429 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)n2)c1 218387037 KJYLVYQGPUEXFR-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)n1 217830035 QZLQNNQEQBJIIU-KRWDZBQOSA-N 432.480 3.434 70 40 IGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218339184 KYWZWUARZSMOHY-UHFFFAOYSA-N 434.905 3.058 70 40 IGIB COc1cc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)ccc1OC(C)C 218354783 MTQHJPOJDDVRBI-QGZVFWFLSA-N 434.558 3.262 70 40 IGIB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)c(C)c1 218765100 SWFPKSSGTASUJC-IBGZPJMESA-N 432.542 3.456 70 40 IGIB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217726098 ZCARHICXNRNDAU-HUUCEWRRSA-N 425.872 3.079 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cnc(C)nc4)o3)CC2)cc1C 216637371 UGLPTNXXWATNRH-UHFFFAOYSA-N 443.529 3.110 70 40 IGIB CN(CCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 218563078 GDQZNQXLTADCFA-UHFFFAOYSA-N 431.602 3.393 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 218562570 NXMIRIOPCZWWQO-KRWDZBQOSA-N 448.585 3.342 70 40 IGIB CN1CCC(CCNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 216936467 CSHMXOWAXZIWBC-UHFFFAOYSA-N 445.585 3.093 70 40 IGIB Cc1cccc(N(Cc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 216943836 LXRJLOHEWSABQK-UHFFFAOYSA-N 443.613 3.423 70 40 IGIB C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccc(Cl)cc1)S(C)(=O)=O 218387502 DABNWHARWCYRCS-AWEZNQCLSA-N 448.932 3.203 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1nc(-c2cccs2)no1 218627415 FUIZKTHINJNZGJ-UHFFFAOYSA-N 446.554 3.211 70 40 IGIB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC3CCN(C)CC3)c2)CC1 216945194 UBAGYIRGAZKTOM-UHFFFAOYSA-N 442.025 3.222 70 40 IGIB Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217852674 OGQKKFSVNZBCRS-CQSZACIVSA-N 433.921 3.132 70 40 IGIB CCn1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c(=O)c2ccc(C)nc21 218272886 HPRKWDULVIDKRE-QGZVFWFLSA-N 445.479 3.014 70 40 IGIB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218556436 LWXHMNYUTFDXOQ-KRWDZBQOSA-N 437.993 3.446 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218558923 IDOLZJSVAWEQJY-IBGZPJMESA-N 448.585 3.442 70 40 IGIB Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1NS(C)(=O)=O 218600519 KMLZFKZJIQVJLF-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 218646256 XOIRPCORMIFIJQ-UHFFFAOYSA-N 433.599 3.058 70 40 IGIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216858022 BBZXQGYIIHOXEZ-LJQANCHMSA-N 429.586 3.039 70 40 IGIB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(C)c(C)c1 216890053 SLCZYPRKHJOHND-QHCPKHFHSA-N 443.613 3.262 70 40 IGIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(S(C)(=O)=O)cc1 218189418 CXBXUNYXRGBYNY-PMXLPMHFSA-N 433.526 3.397 70 40 IGIB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218279174 BWHOMEYXCXRNHD-SJORKVTESA-N 428.489 3.061 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1C 216866079 OYTGHRYJUJTXJW-IBGZPJMESA-N 429.586 3.039 70 40 IGIB Cc1cccc(-c2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3CC(N3C(=O)CCC3=O)C4)cc2)c1 217769315 RJRJAMKJLXDWBE-PMACEKPBSA-N 438.549 3.495 70 40 IGIB CN(CCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 218309867 PUMNOJISARJBBB-UHFFFAOYSA-N 444.384 3.402 70 40 IGIB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 218556513 LWXHMNYUTFDXOQ-QGZVFWFLSA-N 437.993 3.446 70 40 IGIB Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216876733 QQXPDYIWLCBLJG-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1 218362382 IJRKDAXUISNFPG-CQSZACIVSA-N 448.932 3.169 70 40 IGIB Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(Br)s1 217871466 LXMSCUIPTULBQA-UHFFFAOYSA-N 427.349 3.056 70 40 IGIB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)cc1 217513368 IBWVDLQGQPPIOV-PCJBXYNASA-N 432.476 3.027 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475576 CDLYGLYFHUBKPO-LSDHHAIUSA-N 440.949 3.087 70 40 IGIB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218451179 XPSREAIXCASXPO-LSDHHAIUSA-N 435.521 3.147 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)n2)c1 218250972 PZBYUOCOPYETAC-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1C 216657681 LLBXHFDEMACIRL-MRXNPFEDSA-N 443.529 3.110 70 40 IGIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 217749904 JNUMKWRFNILAPU-UHFFFAOYSA-N 438.914 3.201 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1 216659459 MCCJSFKASJNYMV-ZDUSSCGKSA-N 449.920 3.065 70 40 IGIB Cc1ccc(C)c(N([C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218552067 QBSSHHOQNJQHIX-OAHLLOKOSA-N 448.570 3.228 70 40 IGIB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1 216642581 FQEWNVXRZQAARJ-INIZCTEOSA-N 444.488 3.402 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 218282263 KRZHUOCKVUPKGB-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 218363674 RJGYIMOEAIGPOP-HNNXBMFYSA-N 448.570 3.310 70 40 IGIB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3cncnc3C)o2)C1 216659411 MCCJSFKASJNYMV-CYBMUJFWSA-N 449.920 3.065 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546662 CYSUXBBEDJNOMR-QZTJIDSGSA-N 434.558 3.050 70 40 IGIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217844545 NTALSYXFYVQWRC-HNNXBMFYSA-N 447.474 3.161 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 218632684 DFVXAGMFYWGJEP-UHFFFAOYSA-N 429.586 3.282 70 40 IGIB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1NS(C)(=O)=O 218590996 NQENZVYIKCTHEJ-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4cncnc4C)o3)C2)cc1C 216659857 STTZIJGMFMZDQF-MRXNPFEDSA-N 443.529 3.110 70 40 IGIB O=C(CSCc1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 218200010 SSPLTKGWSNJWIJ-UHFFFAOYSA-N 442.965 3.245 70 40 IGIB CC(C)c1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 218248116 VWGBJEPOSFCUOA-UHFFFAOYSA-N 442.541 3.285 70 40 IGIB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl 216870235 LNGPVIDZLHJWBH-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217804329 IXGNOILHBDOUEQ-OAHLLOKOSA-N 443.500 3.454 70 40 IGIB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(C)cc1C 216890150 VTQJCRVNEHQQEF-QHCPKHFHSA-N 443.613 3.262 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218383848 DJSJAKAPSKFVTJ-LSDHHAIUSA-N 440.949 3.087 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(Cl)cc2)cc1 216933652 DVWPLZWVYYSKBH-UHFFFAOYSA-N 435.977 3.054 70 40 IGIB Cc1ccc(C)c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(=O)(=O)N(C)C)c1 218766539 QFGWBEXHNQLMRP-LJQANCHMSA-N 445.585 3.335 70 40 IGIB CCN(c1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1)S(C)(=O)=O 218783757 PKALKRQPOSQDEP-UHFFFAOYSA-N 434.905 3.106 70 40 IGIB CC(C)c1ccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 218763772 MQJPSUIUZQWAMM-UHFFFAOYSA-N 432.586 3.329 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1C 218373329 ZSBUKOSEWWBKOA-FQEVSTJZSA-N 443.613 3.417 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218375909 ITSJOOJRRYQHEP-QZTJIDSGSA-N 434.558 3.050 70 40 IGIB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216857227 GYQDNSAXXQDAOZ-UHFFFAOYSA-N 441.475 3.202 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)n2)cc1 218268419 AOBFBTMNNIYUAI-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB CC[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 217015642 MXFUMBWYDDNMEO-QFIPXVFZSA-N 445.585 3.343 70 40 IGIB Cc1ccc(C)c(N2CCN(C(=O)[C@@]34C[C@@H]5C[C@@H](C[C@@](n6nnc(C)n6)(C5)C3)C4)CC2)c1 217538956 FQFHYTDIKSGVQW-NYSUNNPDSA-N 434.588 3.243 70 40 IGIB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c(C)c1 217824184 FYEYVBJBAJULMK-HNNXBMFYSA-N 432.546 3.247 70 40 IGIB COC(=O)[C@@H]1C[C@@H](OC)CN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 217604939 ORLWOMZGAFEECY-AEFFLSMTSA-N 443.443 3.323 70 40 IGIB CCOC(=O)C1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 218314156 RYDIHAGJQQJJCY-UHFFFAOYSA-N 444.553 3.068 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(Cl)c3)S(C)(=O)=O)n2)cc1 218479035 NNAVFYZHBINQKO-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB COC(=O)c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1 217592372 USIPSICQQQYUQA-UHFFFAOYSA-N 429.542 3.078 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 218279664 HOZGFIBAIZUDHR-KRWDZBQOSA-N 442.537 3.198 70 40 IGIB Cc1ccc(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1C 218560720 CPRPLGIURJKDDW-UHFFFAOYSA-N 448.570 3.278 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)n2)cc1 218239961 PGTZVIABBMRMIK-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 218648885 WLEKVUYHZLIQGK-SJORKVTESA-N 432.542 3.107 70 40 IGIB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1 216784231 GYYCAQJEJBQJSP-UHFFFAOYSA-N 439.537 3.037 70 40 IGIB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 218432702 ADJJFICNTMQMBY-UHFFFAOYSA-N 431.297 3.169 70 40 IGIB COc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 218523581 BBKLMWKGPGRELA-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)cc1 218380636 IDQSTZRWPXVASR-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 218481086 BCSCGOZUYIYNFD-ZDUSSCGKSA-N 426.922 3.459 70 40 IGIB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCCO2 218766094 PLWYOQXOSGPWEA-KRWDZBQOSA-N 432.542 3.108 70 40 IGIB CN1CCC(CCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 216945146 GHODXAFTVNCKPK-UHFFFAOYSA-N 442.025 3.366 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1nc(-c2cccs2)no1 218624872 BQJIBHQESREBMP-UHFFFAOYSA-N 446.554 3.163 70 40 IGIB O=C(NCCSC1CCOCC1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 217703588 FHWQYQJOMOCOHS-UHFFFAOYSA-N 438.546 3.269 70 40 IGIB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216885527 SUCZEBBVCRJFTG-UHFFFAOYSA-N 429.586 3.448 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 218625887 MGGYLMZVXPHNAH-SFHVURJKSA-N 446.569 3.376 70 40 IGIB CN1CCC(NC(=O)C2=C(c3ccccc3)c3cc(Cl)ccc3N(C)S2(=O)=O)CC1 217030881 HEWLRCWXSPOZLQ-UHFFFAOYSA-N 445.972 3.089 70 40 IGIB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1 216859581 QTFJXZBVZSSUTJ-NRFANRHFSA-N 429.586 3.121 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)n2)cc1 218251052 VIDOCCWHFXYUGV-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)c(C)c1 216868652 JILVVSKAAZMACV-QFIPXVFZSA-N 429.586 3.121 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)c1 218380380 HZFKDYANYRTMCH-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB CN1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)CC1 216871469 JFXSCHODLMQRTR-UHFFFAOYSA-N 427.998 3.119 70 40 IGIB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cc(Cl)ccc1Cl 218309615 ZWSFJXHXHWOTOR-UHFFFAOYSA-N 437.370 3.402 70 40 IGIB CC[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 217015685 MXFUMBWYDDNMEO-JOCHJYFZSA-N 445.585 3.343 70 40 IGIB COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3OC)n2)c1 218189916 OQAMJCSPDGBQKL-PKNBQFBNSA-N 425.441 3.101 70 40 IGIB Cc1ccc(C)c(N([C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218551989 QBSSHHOQNJQHIX-HNNXBMFYSA-N 448.570 3.228 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 218419232 ZIBSQYSHDDYHGB-LJQANCHMSA-N 431.558 3.026 70 40 IGIB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)CC1 216869420 KJYKCSDCQIVZGS-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c1 218239443 CAVCDAHVEXWFOC-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 218407472 VMIJLXOABZILDE-UHFFFAOYSA-N 434.477 3.467 70 40 IGIB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 218295648 GFNUYRGHBSNUEH-ZWKOTPCHSA-N 434.558 3.132 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1C 218372023 NOFCBJVTBFMPDE-HNNXBMFYSA-N 448.570 3.228 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 218770999 WZUYXSGJLIBZBH-IBGZPJMESA-N 431.558 3.270 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 218269902 QPIRGGDYUHNDNK-CQSZACIVSA-N 440.949 3.007 70 40 IGIB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 217516227 KCUQSZVBQFZEBC-APDHKMKFSA-N 447.922 3.467 70 40 IGIB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217821134 DKQYRYJSCCXOHT-GFCCVEGCSA-N 431.436 3.489 70 40 IGIB CN(CCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccccc1 218262007 ZWIFDNBWSNYZQB-UHFFFAOYSA-N 444.384 3.402 70 40 IGIB CN(C)c1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)nc2)cc1 217549565 AFKHLFHMJFWYQF-PKOBYXMFSA-N 429.524 3.185 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CCN(C)CC2)c2ccc(F)cc2)cc1 216933819 BAVNGXOMAHMFGV-UHFFFAOYSA-N 447.576 3.178 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)n2)cc1 218387127 FRYAUWRQJVEFRT-CQSZACIVSA-N 448.932 3.169 70 40 IGIB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216859700 MTYBYVCIFBMKBU-JOCHJYFZSA-N 443.613 3.448 70 40 IGIB Cc1cc(C)cc(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218381669 KGFDCJCHYBDYEJ-HXUWFJFHSA-N 443.613 3.417 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)n2)cc1 218371581 JJQGFANBAKZYOL-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546747 CYSUXBBEDJNOMR-ZWKOTPCHSA-N 434.558 3.050 70 40 IGIB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CCCN2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 217459646 SBHPYWUIZUXOQZ-CGXNFDGLSA-N 436.895 3.378 70 40 IGIB O=C(Nc1cccc(F)c1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217517112 DPNUBZLYEMIGGS-MTQWNXOMSA-N 431.467 3.270 70 40 IGIB biogenic CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 218244281 GADGREIOXMNMOH-UHFFFAOYSA-N 448.570 3.230 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)n2)cc1 218551432 XCZCIJPEYBHHBX-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCN(C)CC1 216793550 CEVDZDGDWSYVMK-UHFFFAOYSA-N 444.601 3.112 70 40 IGIB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)c1ccc(C)cc1C 216866191 UNAQBWNXCYUKGL-HSZRJFAPSA-N 443.613 3.429 70 40 IGIB C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1)N(c1ccccc1)S(C)(=O)=O 218292068 BIHSCTHTYFGBOT-AWEZNQCLSA-N 448.932 3.203 70 40 IGIB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 216868518 IEUCVIXWUYKNCH-LJQANCHMSA-N 443.613 3.109 70 40 IGIB Cc1cccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1C 216937719 AHRRIZUESGLTNA-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218376116 ITSJOOJRRYQHEP-ROUUACIJSA-N 434.558 3.050 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 216860138 QDHUCNPTVNFBFI-LJQANCHMSA-N 429.586 3.039 70 40 IGIB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217668839 JDUWTEREDJFJRK-HNNXBMFYSA-N 438.431 3.479 70 40 IGIB COc1cc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)ccc1OC(C)C 218456711 XRIROLRZUNHLOX-HNNXBMFYSA-N 438.521 3.092 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3ccc(C)cc3)C2)cc1 218774536 LEGCVZJWZWOETF-HXUWFJFHSA-N 430.570 3.153 70 40 IGIB COCCn1c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2cc(Cl)ccc21 218023406 TUSOYZGGFVDRCQ-DOTOQJQBSA-N 425.916 3.362 70 40 IGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 218434189 VUYIMIJYKMIJDI-UHFFFAOYSA-N 446.569 3.096 70 40 IGIB Cc1ccc(Cl)cc1N(CCCC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 218557863 NTEUJGDIAKBBHO-UHFFFAOYSA-N 437.993 3.447 70 40 IGIB COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1OC 218622909 ICVMFBNSPKOYBG-UHFFFAOYSA-N 446.569 3.159 70 40 IGIB CCOc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 218766636 WJEQQHHNYSYBJT-UHFFFAOYSA-N 447.601 3.064 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 218763101 YEXPLWQLPRQXCN-HXUWFJFHSA-N 446.569 3.184 70 40 IGIB O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217804237 IXGNOILHBDOUEQ-HNNXBMFYSA-N 443.500 3.454 70 40 IGIB COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)c1 216629498 AOZNFJRCJFSBSS-UHFFFAOYSA-N 447.488 3.461 70 40 IGIB CCn1cc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)nc1C 217646074 DEGDTDMNASODKC-MRXNPFEDSA-N 446.392 3.419 70 40 IGIB COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)ccc1Cl 218508703 XSEYSGARZJMAIN-UHFFFAOYSA-N 436.917 3.472 70 40 IGIB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218552512 WWLHADVKAKEZEA-FQEVSTJZSA-N 443.613 3.417 70 40 IGIB COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)S(C)(=O)=O 218311497 GTGOIOROGPACLL-UHFFFAOYSA-N 438.505 3.331 70 40 IGIB CCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218644653 BYDDIKHZBQQGHQ-UHFFFAOYSA-N 434.905 3.424 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1 216880431 LFXLITZCPUZMRK-INIZCTEOSA-N 435.977 3.076 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218445230 PMEKWSUHKAHGDB-UHFFFAOYSA-N 448.932 3.448 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 218505469 BTCVGSQXEXTFNU-SFHVURJKSA-N 446.569 3.376 70 40 IGIB CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)cc1 217899293 QYEAISTWZKGXFR-UHFFFAOYSA-N 430.574 3.133 70 40 IGIB CN(CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 218351528 PAECJRAEQSXLAK-UHFFFAOYSA-N 444.384 3.402 70 40 IGIB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 216872918 TUSABEAZXQENPH-IBGZPJMESA-N 435.977 3.157 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)n2)c1 218270164 JDKDOVQGNDUUFH-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1cc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(C)c1Cl 218708295 UMISFZMSHCNLLM-QGZVFWFLSA-N 436.961 3.257 70 40 IGIB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(C)cc1C 218766275 ACGQUNUDEIOUJC-HXUWFJFHSA-N 446.569 3.498 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 216872613 YBYWVRACBMHPBF-INIZCTEOSA-N 435.977 3.076 70 40 IGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 218482358 SUXAZSGHTCUXGO-CYBMUJFWSA-N 446.978 3.146 70 40 IGIB Cc1ccc(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1C 218560630 AYZBEZIFJQXESX-UHFFFAOYSA-N 442.541 3.216 70 40 IGIB CCc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1)S(C)(=O)=O 218246658 KOPYLBCDTXYXAZ-UHFFFAOYSA-N 442.541 3.032 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 218505381 BTCVGSQXEXTFNU-GOSISDBHSA-N 446.569 3.376 70 40 IGIB Cc1nc2sc([C@@H](c3ccsc3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218022525 REJVJEAFEJEGIX-JCKWVBRZSA-N 439.566 3.237 70 40 IGIB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 218648968 WLEKVUYHZLIQGK-IRXDYDNUSA-N 432.542 3.107 70 40 IGIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1F 218262597 RWFMVQSPWPAIOG-UHFFFAOYSA-N 426.469 3.461 70 40 IGIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(C)C)cc1 216787209 RVAGSAYQNNXLKZ-UHFFFAOYSA-N 431.558 3.007 70 40 IGIB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)CC(C)(C)O2 218763000 PHKZRPAZMNIADF-HXUWFJFHSA-N 446.569 3.184 70 40 IGIB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 216859676 MTYBYVCIFBMKBU-QFIPXVFZSA-N 443.613 3.448 70 40 IGIB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)ccc1Cl 218452680 FBFNDWLVCSPLLR-LLVKDONJSA-N 428.869 3.059 70 40 IGIB CCN(c1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1)S(C)(=O)=O 218783645 JZZXVXXJJVEXNO-UHFFFAOYSA-N 434.905 3.106 70 40 IGIB CCSc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 216889133 PYJDWLJOKWNXOV-UHFFFAOYSA-N 433.599 3.128 70 40 IGIB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(C)c(C)c1 216890015 SLCZYPRKHJOHND-HSZRJFAPSA-N 443.613 3.262 70 40 IGIB Cc1ccc(C)c(N([C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 218551898 CPYFNDNBSFBDNA-QGZVFWFLSA-N 442.541 3.167 70 40 IGIB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218472029 WFXMBQFQCPOWNR-AWEZNQCLSA-N 437.949 3.273 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c(C)c1 216865315 SRQXIHLIZQCCHG-LJQANCHMSA-N 429.586 3.039 70 40 IGIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 216933416 YCVDYSRBFONENU-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CCN(C)CC2)c2ccccc2F)cc1 216933780 TVYIPFNDYDURFX-UHFFFAOYSA-N 447.576 3.178 70 40 IGIB Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 217848996 JYNOHJXNZHZNPG-VPWXQRGCSA-N 433.537 3.175 70 40 IGIB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218469957 XUCRKHXJCGZYIE-AWEZNQCLSA-N 437.949 3.271 70 40 IGIB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218462801 VGLPMTYAHPGVCP-RDTXWAMCSA-N 438.521 3.265 70 40 IGIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3OC)n2)cc1 218190914 VQOMUCOWVXDYPT-UKTHLTGXSA-N 439.468 3.443 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 218292435 AOUSKULUHUGEHL-CQSZACIVSA-N 434.543 3.001 70 40 IGIB Cc1c(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cnn1-c1ccccc1 217838999 CJPNPXSKPKKCLZ-QGZVFWFLSA-N 429.484 3.116 70 40 IGIB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218471949 WFXMBQFQCPOWNR-CQSZACIVSA-N 437.949 3.273 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)n2)c1 218745913 MWPAONSPWZLISS-UHFFFAOYSA-N 446.504 3.047 70 40 IGIB CCn1cc(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c(=O)c2ccc(C)nc21 217661924 UURWGGYFXHTRFP-SFHVURJKSA-N 428.496 3.071 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)n2)cc1 218273334 BPAWIYQRZFZOPK-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 216863462 KNSHHOWFQIUGAB-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366751 XCRMRIWLHUJNFZ-QZTJIDSGSA-N 434.558 3.050 70 40 IGIB O=C(COc1ccccc1Cl)Nc1ccc[n+](Cc2ccc(S(=O)(=O)F)cc2)c1 104170786 DJOZTUCSIYTRQI-UHFFFAOYSA-O 435.884 3.352 70 40 IGIB COc1cc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)ccc1OC(C)C 218354877 MTQHJPOJDDVRBI-KRWDZBQOSA-N 434.558 3.262 70 40 IGIB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1S(=O)(=O)N1CCOCC1 218520833 VDRANYPRMHPFSQ-LJQANCHMSA-N 444.553 3.048 70 40 IGIB O=C(NCc1nc(-c2ccccc2)no1)c1cccc(NS(=O)(=O)c2ccccc2)c1 218574302 QZYVFAFMRANMFT-UHFFFAOYSA-N 434.477 3.467 70 40 IGIB CSc1nc(Nc2ccc(I)cc2)cc(N2CCN(C)CC2)n1 216851350 ZYNYSNKNQDVYIU-UHFFFAOYSA-N 441.342 3.299 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(F)cc4)o3)C2)cc1OC 216641631 SUIANVLBBNNBHI-HNNXBMFYSA-N 447.488 3.461 70 40 IGIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c(C)c1 218237068 HOQRPRPFHUZYAC-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)c1 218241680 WRSFNZKMSWXGSM-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB CCc1ccc(N(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 218309046 YENSMTVGGXDWKP-UHFFFAOYSA-N 442.541 3.032 70 40 IGIB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)cc1C 216868690 PFLXAUOQMOZUKJ-JOCHJYFZSA-N 429.586 3.121 70 40 IGIB Cc1cc(C)cc(N([C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218381132 DLQJUUNWAUCMMI-OAHLLOKOSA-N 448.570 3.228 70 40 IGIB C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 218454411 DIYPQLTZIDIXEQ-INIZCTEOSA-N 447.532 3.245 70 40 IGIB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc2ccccc12 216787272 QKHOYJFXQCGNBE-UHFFFAOYSA-N 439.537 3.037 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 216863322 DPIZYGBAMMCQTD-UHFFFAOYSA-N 441.475 3.202 70 40 IGIB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 216870490 VNXDSANVALUETF-UHFFFAOYSA-N 439.990 3.250 70 40 IGIB CCc1ccc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1 218308755 REBNSEVNGKVRPV-UHFFFAOYSA-N 448.932 3.035 70 40 IGIB Cc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1)S(C)(=O)=O 218229889 KQHDEESYKCLCTF-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB O=S(=O)(c1ccccc1Br)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217668554 YKMFJHGIRLDUAV-OAHLLOKOSA-N 433.331 3.343 70 40 IGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(CN2CCOCC2)cc1 218077450 JARNTKXAFARETA-UHFFFAOYSA-N 426.904 3.494 70 40 IGIB O=C(Nc1ccccc1F)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217518337 URBCGUIJNJBRFA-MTQWNXOMSA-N 431.467 3.270 70 40 IGIB biogenic CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 218295468 YAASIFZJQOEQOQ-GOSISDBHSA-N 448.585 3.388 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 216859429 NMOOJFJZIQQOSV-LJQANCHMSA-N 429.586 3.039 70 40 IGIB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl)c1ccccc1 216880743 SQQSBJFABYNISD-FQEVSTJZSA-N 435.977 3.157 70 40 IGIB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217821216 DKQYRYJSCCXOHT-LBPRGKRZSA-N 431.436 3.489 70 40 IGIB CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218361303 ZNMJGGPPZGBSOR-LPHOPBHVSA-N 434.558 3.434 70 40 IGIB O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1NS(=O)(=O)c1ccccc1 218412468 CPQSXBSPVFUESX-UHFFFAOYSA-N 434.477 3.467 70 40 IGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 218480210 NJXONKKJVFTRQH-AWEZNQCLSA-N 442.990 3.412 70 40 IGIB Cc1ccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c(C)c1 218238016 LADJNFHQUDKLFI-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218361151 ZNMJGGPPZGBSOR-APWZRJJASA-N 434.558 3.434 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 218270815 OANRBLWVQQOGIN-HNNXBMFYSA-N 440.949 3.007 70 40 IGIB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1C 218649416 WTFOUGRTPURQQY-YLJYHZDGSA-N 446.569 3.497 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)n2)c1 218239850 OJFGKDOVJFXNOM-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)n2)cc1 218513964 ICTIUBOYEKCALV-UHFFFAOYSA-N 440.525 3.068 70 40 IGIB Cc1ccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 218363029 USWQDVFJWCJZLS-KRWDZBQOSA-N 442.541 3.167 70 40 IGIB CN1CCC(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)CC1 217021588 NXSWZWDLMRRSBY-UHFFFAOYSA-N 437.949 3.437 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)n2)c1 218551321 AYKIKEIAECPJKH-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3OC)n2)cc1 218190031 NDWYCIZBTFLBAT-XYOKQWHBSA-N 425.441 3.101 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 218561802 GANSBLDFFRXNNM-UHFFFAOYSA-N 447.576 3.238 70 40 IGIB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1NS(C)(=O)=O 218590901 OVYHEHZACSIYOH-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218747073 ZSBGWLCNTXBFKJ-LJQANCHMSA-N 448.585 3.442 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 218561482 MLCOGDDYRXSZIA-UHFFFAOYSA-N 443.613 3.095 70 40 IGIB COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 218634576 KXABNINADIUFRM-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C 218637109 AYBNMNZXXCONMT-MRXNPFEDSA-N 436.961 3.469 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1OC 216629436 ARUIKMKBTRHPDS-UHFFFAOYSA-N 447.488 3.461 70 40 IGIB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216870164 RDABSKKJQZPAHO-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)n2)cc1 218387208 FRYAUWRQJVEFRT-AWEZNQCLSA-N 448.932 3.169 70 40 IGIB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)o3)C2)c1 216643857 UYDUSACSLXTXCV-CQSZACIVSA-N 447.488 3.461 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 216861370 HUUUZUDGQXTJLO-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)n2)c1 218247801 SKZCSZQFOVCMLQ-UHFFFAOYSA-N 442.541 3.251 70 40 IGIB CC(C)c1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218248004 LVPLHNCSUUZZIO-UHFFFAOYSA-N 434.543 3.004 70 40 IGIB Cc1ccc(C)c(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218552582 WWLHADVKAKEZEA-HXUWFJFHSA-N 443.613 3.417 70 40 IGIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1 218264761 RRDMHMDDYOSKCN-UHFFFAOYSA-N 426.469 3.461 70 40 IGIB O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 218201899 MUPAGJICIUJZBT-HNNXBMFYSA-N 447.333 3.064 70 40 IGIB Cc1ccc(Cl)cc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O 218269598 SMWIFTFVQLBAHQ-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 218276704 YEYLJLZEOWOMDY-SFHVURJKSA-N 448.585 3.388 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)n2)c1 218273249 IDNJZBFSXHGDFA-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218383938 DJSJAKAPSKFVTJ-CABCVRRESA-N 440.949 3.087 70 40 IGIB O=C(NCc1nc(-c2ccccc2)no1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 218635900 OYAZJJVGWUCBQA-UHFFFAOYSA-N 446.916 3.105 70 40 IGIB CN1CCC(CCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 216943742 DLSGELWHRBVOTG-UHFFFAOYSA-N 447.576 3.254 70 40 IGIB COc1cc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(OC)cc1Cl 218454863 LSLYECNXQDGSGS-NSHDSACASA-N 430.885 3.290 70 40 IGIB Cc1cc(C)cc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218381042 DLQJUUNWAUCMMI-HNNXBMFYSA-N 448.570 3.228 70 40 IGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(CN2CCOCC2)cc1 218077554 MDBYAYBWCUBMOE-UHFFFAOYSA-N 426.904 3.494 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218444822 FJJMUUJJJUQOMW-UHFFFAOYSA-N 428.514 3.103 70 40 IGIB Cc1cccc(N(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)c1C 218281677 LXKXMKGMOURXFQ-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1cccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1C 216936717 DMIKKPWWUDGOJG-UHFFFAOYSA-N 445.585 3.181 70 40 IGIB O=C1CCC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 217717943 FXJIPSFWXZXJQI-UHFFFAOYSA-N 439.320 3.182 70 40 IGIB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 218276030 KFNZRTRHTNSCNH-GOSISDBHSA-N 448.585 3.386 70 40 IGIB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 218295514 YAASIFZJQOEQOQ-SFHVURJKSA-N 448.585 3.388 70 40 IGIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O 218345858 JXFWBKSCCWCNRT-UHFFFAOYSA-N 434.905 3.058 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)n2)c1 218551262 AYKIKEIAECPJKH-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)cc1 218380564 IDQSTZRWPXVASR-QGZVFWFLSA-N 442.541 3.133 70 40 IGIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c(OC)c1 217926815 VFDUFGDTVJNCNE-YRNVUSSQSA-N 439.468 3.443 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 216865536 IUHZRZCHENYKGS-HSZRJFAPSA-N 443.613 3.448 70 40 IGIB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)CC1 216869448 KVWPQIYSDHJEGM-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 218375989 ITSJOOJRRYQHEP-ZWKOTPCHSA-N 434.558 3.050 70 40 IGIB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218462974 VGLPMTYAHPGVCP-KBXCAEBGSA-N 438.521 3.265 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218558841 IDOLZJSVAWEQJY-LJQANCHMSA-N 448.585 3.442 70 40 IGIB Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 218650969 VQOIYMDNVYBXDN-KRWDZBQOSA-N 432.542 3.456 70 40 IGIB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)c(C)c1 218765063 SWFPKSSGTASUJC-LJQANCHMSA-N 432.542 3.456 70 40 IGIB Cc1cc(Cl)ccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O 218268581 FOZHNNOAVQKLJD-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475732 CDLYGLYFHUBKPO-GJZGRUSLSA-N 440.949 3.087 70 40 IGIB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 218288742 GNDAUQDJSFZOEM-HNAYVOBHSA-N 432.542 3.268 70 40 IGIB Cc1ccc(C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1S(=O)(=O)N1CCCC1 218514281 XZJOOJSOTJIOKW-UHFFFAOYSA-N 446.554 3.163 70 40 IGIB C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 218454602 LFPNPLYBDUGQEM-AWEZNQCLSA-N 435.521 3.147 70 40 IGIB COc1ccc(Br)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1 217777244 ZICQTXNYPMWVHG-UHFFFAOYSA-N 435.318 3.148 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)cc1 218242051 ALHCQTDOHBOBPU-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O 218486410 MVNSEUUWAFOBIM-OAHLLOKOSA-N 440.949 3.007 70 40 IGIB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 216868490 IEUCVIXWUYKNCH-IBGZPJMESA-N 443.613 3.109 70 40 IGIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 218339294 NAWVZSLFIOKNTI-UHFFFAOYSA-N 434.905 3.058 70 40 IGIB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCN(C)CC1 216784151 MBXBUXNYMJJVAO-UHFFFAOYSA-N 431.558 3.007 70 40 IGIB Cc1c(Cl)cccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O 218270407 KGGVSMBFACHJMM-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 218520094 DYEZFGIFADNYDG-UHFFFAOYSA-N 436.961 3.032 70 40 IGIB O=C(NCc1ccccc1CN1CCCC1=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 217167245 LTMJOCDXYWTEJT-KQWNVCNZSA-N 443.503 3.489 70 40 IGIB Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 218235348 VOOYJXHYXIZTLQ-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB CN1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1 217022632 LJINVPQJCATVEC-UHFFFAOYSA-N 437.949 3.437 70 40 IGIB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCN(C)CC1 216854624 DKMKCVZYTNCYSZ-UHFFFAOYSA-N 441.475 3.202 70 40 IGIB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217844468 NTALSYXFYVQWRC-OAHLLOKOSA-N 447.474 3.161 70 40 IGIB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 218377625 PWSDXVLNZSHRHM-GOSISDBHSA-N 448.585 3.224 70 40 IGIB Cc1cccc(-c2noc(CN(C)C(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)n2)c1 218282037 JVVYJCMBPIIUPU-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 218546901 CYSUXBBEDJNOMR-ROUUACIJSA-N 434.558 3.050 70 40 IGIB Cc1cc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1NS(C)(=O)=O 218600620 MTOQPDOPWTUGSR-UHFFFAOYSA-N 434.905 3.342 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1C 218371923 XEDNFDQPICCOTI-QGZVFWFLSA-N 442.541 3.167 70 40 IGIB O=C(CCc1ccc(OCc2ccccc2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 217610420 BLFREQNAUFTSME-UHFFFAOYSA-N 444.535 3.367 70 40 IGIB CC[C@@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1C 218649569 WTFOUGRTPURQQY-FXAWDEMLSA-N 446.569 3.497 70 40 IGIB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218462888 VGLPMTYAHPGVCP-KDOFPFPSSA-N 438.521 3.265 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CCN(C)CC2)c2cccc(C)c2)cc1 216933374 UDMBSTHMFPTOBM-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(OC)c(OC)c3)n2)c(OC)c1 217926462 PQOXDCYSHFUDJV-UXBLZVDNSA-N 425.441 3.101 70 40 IGIB COc1cc(/C=C/C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc(OC)c1OC 217663321 QIZQMAGEMCIRBH-YXBWYFRISA-N 434.496 3.458 70 40 IGIB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c(C)c1 217824099 FYEYVBJBAJULMK-OAHLLOKOSA-N 432.546 3.247 70 40 IGIB COc1ccccc1-c1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)n(C)n1 218276786 JPLNRSLSMQXRHO-KRWDZBQOSA-N 445.479 3.385 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 218269961 QPIRGGDYUHNDNK-AWEZNQCLSA-N 440.949 3.007 70 40 IGIB Cc1ccc(N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1C 218243733 VNQQJMODJZKMLP-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 218253387 GAYDOTHNRCIRBU-HNNXBMFYSA-N 439.375 3.353 70 40 IGIB CC[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218463041 VGLPMTYAHPGVCP-KSSFIOAISA-N 438.521 3.265 70 40 IGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)n2)c1 218380457 HZFKDYANYRTMCH-KRWDZBQOSA-N 442.541 3.133 70 40 IGIB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)CC(C)(C)O2 218419061 IQOYNCRDMKHXKB-LJQANCHMSA-N 431.558 3.026 70 40 IGIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1 216877370 MPRUAPMPASFKKU-UHFFFAOYSA-N 446.331 3.321 70 40 IGIB CC(C)c1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 218769048 GSNVYEDNIHIPLR-UHFFFAOYSA-N 435.565 3.311 70 40 IGIB Cc1nc2sc([C@H](c3cccs3)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)n2n1 218061597 VAASRWIMSKUICU-IYOUNJFTSA-N 439.566 3.237 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1C 216866052 OYTGHRYJUJTXJW-LJQANCHMSA-N 429.586 3.039 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CCN(C)CC2)c2ccccc2)cc1 216933241 DXXFIXROEVRVKQ-UHFFFAOYSA-N 429.586 3.038 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 218562737 KFRQVVYLJPWNHN-UHFFFAOYSA-N 442.541 3.117 70 40 IGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 218759983 ZTLJJWONHSKPBH-GOSISDBHSA-N 427.457 3.236 70 40 IGIB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(C)cc1C 218766311 ACGQUNUDEIOUJC-FQEVSTJZSA-N 446.569 3.498 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cnc(C)nc4)o3)C2)cc1C 216657730 LLBXHFDEMACIRL-INIZCTEOSA-N 443.529 3.110 70 40 IGIB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216876668 LIIDGROHDWZCOB-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 218454684 LFPNPLYBDUGQEM-CQSZACIVSA-N 435.521 3.147 70 40 IGIB O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 218201833 MUPAGJICIUJZBT-OAHLLOKOSA-N 447.333 3.064 70 40 IGIB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1cc(C)ccc1C)c1ccc2c(c1)OCCO2 218765511 AGGAKIDXGCVXFB-QGZVFWFLSA-N 432.542 3.108 70 40 IGIB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218444923 LHRJYXJGIVNWAA-UHFFFAOYSA-N 428.514 3.103 70 40 IGIB COc1cccc(-c2cc(C(=O)N3CC[C@H](n4cc(-c5ccccc5)nn4)C3)n(C)n2)c1 217664115 IYHKAKXCUZCXBJ-IBGZPJMESA-N 428.496 3.441 70 40 IGIB Cc1cc(OC2CCN(C(=O)CCc3ccccc3Br)CC2)cc(=O)n1C 217777365 OBSVZTGLRGQEEN-UHFFFAOYSA-N 433.346 3.459 70 40 IGIB COc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 218261483 JKXGMLCVMMLVAK-UHFFFAOYSA-N 430.448 3.139 70 40 IGIB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218279241 BWHOMEYXCXRNHD-DLBZAZTESA-N 428.489 3.061 70 40 IGIB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCN(C)CC1 216854900 IYSPQZRGIXNSSD-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB COc1ccc(CNC(=O)c2ccccc2I)c(OC)c1OC 218216308 KIIAGLULLZKGEG-UHFFFAOYSA-N 427.238 3.247 70 40 IGIB Cc1ccc(-c2noc(CN(C)C(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)n2)cc1 218237549 AWHWKOBLAQXCNI-UHFFFAOYSA-N 442.541 3.086 70 40 IGIB CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 218293947 CEAQWWMLXQQBIR-KRWDZBQOSA-N 434.558 3.343 70 40 IGIB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4cncnc4C)o3)C2)cc1C 216659903 STTZIJGMFMZDQF-INIZCTEOSA-N 443.529 3.110 70 40 IGIB O=C(Nc1ccccc1F)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 217518401 URBCGUIJNJBRFA-UEOMBKFZSA-N 431.467 3.270 70 40 IGIB biogenic O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1 217476297 MBVNGYYYTNUXFT-IBGZPJMESA-N 435.415 3.248 70 40 IGIB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 218427951 HBIZGEPMSHBBSW-UHFFFAOYSA-N 431.297 3.169 70 40 IGIB C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 218493197 FXQCRPZPTLWJRF-CQSZACIVSA-N 444.384 3.401 70 40 IGIB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)cc1 216880386 LFXLITZCPUZMRK-MRXNPFEDSA-N 435.977 3.076 70 40 IGIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 218292499 AOUSKULUHUGEHL-AWEZNQCLSA-N 434.543 3.001 70 40 IGIB CN(c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1)S(=O)(=O)c1ccccc1 218304728 MUQGCCBIODHDPS-UHFFFAOYSA-N 448.504 3.492 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 216865507 IUHZRZCHENYKGS-QHCPKHFHSA-N 443.613 3.448 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 218561152 HVKNZXYIKIEYDX-UHFFFAOYSA-N 429.586 3.099 70 40 IGIB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCN(C)CC3)c(C)c2)cc1C 216836999 GJZLZLRQCIGAQK-UHFFFAOYSA-N 445.585 3.002 70 40 IGIB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1ccc(F)cc1 218767339 AQLISBOHCDYXNB-UHFFFAOYSA-N 435.521 3.399 70 40 IGIB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 218557065 GMPDKANRKRMEEP-HNNXBMFYSA-N 440.949 3.007 70 40 IGIB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCN1CCCc2ccccc21 218625074 GLVOMTYYVBMODW-UHFFFAOYSA-N 441.597 3.352 70 40 IGIB COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 218753580 NMHKASMHWJIBKZ-AWEZNQCLSA-N 427.457 3.188 70 40 IGIB Cc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216932207 LUDOHLJYNZXEIB-UHFFFAOYSA-N 429.586 3.038 70 40 IGIB Cc1ccc(N([C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 218362541 GBWZOVLOWZRQGD-CQSZACIVSA-N 448.932 3.169 70 40 IGIB Cc1ccc(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1C 218560943 FHODIPXCQNGDAY-UHFFFAOYSA-N 431.602 3.492 70 40 IGIB CC(C)(C)c1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 218561686 DRCVSWVLDMFCNH-UHFFFAOYSA-N 447.576 3.238 70 40 IGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 218288858 MFDRMCVBKFLYHZ-BEFAXECRSA-N 432.542 3.268 70 40 IGIB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 218354601 JEGYCUJEVGTZPO-QGZVFWFLSA-N 434.558 3.263 70 40 IGIB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1S(=O)(=O)N1CCCC1 218508178 QHPATDICBBDITK-UHFFFAOYSA-N 443.569 3.418 70 40 IGIB Cc1ccc(-c2noc(CNC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)n2)cc1 218270247 WRCBRFWIEVSZHK-UHFFFAOYSA-N 448.932 3.089 70 40 IGIB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)CC(C)(C)O2 218418986 IQOYNCRDMKHXKB-IBGZPJMESA-N 431.558 3.026 70 40 IGIB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)o3)C2)c1 216643905 UYDUSACSLXTXCV-AWEZNQCLSA-N 447.488 3.461 70 40 IGIB O=C(c1cc(Br)cs1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217847996 UAUBGYSBXPVIOU-NSHDSACASA-N 434.319 3.446 70 40 IGIB C[C@@H](C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1)N(c1ccccc1)S(C)(=O)=O 218292222 JGNQWDNPVMWRCJ-AWEZNQCLSA-N 448.932 3.203 70 40 IGIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 218419150 ZIBSQYSHDDYHGB-IBGZPJMESA-N 431.558 3.026 70 40 IGIB Cc1ccccc1-n1nnnc1C1(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCCCC1 217381369 OIWPGFLLZXCMBI-VQTJNVASSA-N 430.556 3.411 70 40 IGIB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 218361063 ZNMJGGPPZGBSOR-VQIMIIECSA-N 434.558 3.434 70 40 IGIB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(C)cc1C 218765161 DTRIWCDXLGMAKG-LJQANCHMSA-N 432.542 3.456 70 40 IGIB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc(F)c1 218323012 QYPKGDONCJFPPD-UHFFFAOYSA-N 426.469 3.461 70 40 IGIB Cc1ccc(N(CC(=O)NCCC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1C 216932437 PTVAJJMLXXPQPO-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB Cc1ccc(C)c(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 218748255 CFILBTLEGUZFMX-UHFFFAOYSA-N 448.570 3.278 70 40 IGIB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 217516313 KCUQSZVBQFZEBC-KXEAFHOWSA-N 447.922 3.467 70 40 IGIB COc1ccc(-c2noc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)n2)c(OC)c1 218320629 XYIXAOCAVJNDBC-UHFFFAOYSA-N 444.447 3.184 70 40 IGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 218475655 CDLYGLYFHUBKPO-CABCVRRESA-N 440.949 3.087 70 40 IGIB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(C)c(C)c1 216868621 JILVVSKAAZMACV-JOCHJYFZSA-N 429.586 3.121 70 40 IGIB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 218417531 OKMXZDGUCXKJSW-UHFFFAOYSA-N 437.521 3.169 70 40 IGIB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)c(C)c1 216806233 OVSVFAINZLYVHK-UHFFFAOYSA-N 443.613 3.013 70 40 IGIB CC(C)c1ccc(N(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 218248199 YBYLRPFBMMUKPE-UHFFFAOYSA-N 448.570 3.346 70 40 IGIB CCc1ccccc1N(CC(=O)NCCC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216932500 HUBHOXVJGZEOLL-UHFFFAOYSA-N 443.613 3.292 70 40 IGIB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 216870819 QPFGKEWGBLOFLO-UHFFFAOYSA-N 435.977 3.399 70 40 IGIB CC[C@@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 218649223 CHIQLJZRYATXJF-FXAWDEMLSA-N 446.569 3.497 70 40 IGIB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCN(C)CC1 216854726 QCPVUXRQHUQANH-UHFFFAOYSA-N 442.368 3.490 70 40 IGIB O=C(NCc1ccco1)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218051314 QTBOWLMJYZWVPJ-DLBZAZTESA-N 432.480 3.023 70 40 IGIB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3cccc(C)c3)C2)cc1 218774736 UXKLIDBTTMKZNQ-HXUWFJFHSA-N 430.570 3.153 70 40 IGIB Cc1ccc(C)c(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 218240418 GNWUTFLIOAWNSS-UHFFFAOYSA-N 429.586 3.029 70 40 IGIB COc1ccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 218276415 KFRVSXSRABFJCR-DNVCBOLYSA-N 432.542 3.268 70 40 IGIB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218453161 JSEONJXMYLYHGB-HNNXBMFYSA-N 435.521 3.149 70 40 IGIB CCN(c1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1)S(C)(=O)=O 218784200 ASYQLZSKJMXTDQ-UHFFFAOYSA-N 428.514 3.103 70 40 IGIB COCCn1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2cc(Cl)ccc21 217953405 ONMCKUXAHOYROI-JKSUJKDBSA-N 425.916 3.362 70 40 IGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 218288992 MFDRMCVBKFLYHZ-HNAYVOBHSA-N 432.542 3.268 70 40 IGIB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)o3)C2)cc1 216644667 RRCMPYAVWJXGMI-OAHLLOKOSA-N 444.488 3.402 70 40 IGIB CC[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 218649145 CHIQLJZRYATXJF-XLIONFOSSA-N 446.569 3.497 70 40 IGIB C[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 216942415 BLLJZXNYGHXEBT-MRXNPFEDSA-N 449.548 3.092 70 40 IGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218366950 XCRMRIWLHUJNFZ-ROUUACIJSA-N 434.558 3.050 70 40 IGIB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)c1ccc2c(c1)OCCO2 218766131 PLWYOQXOSGPWEA-QGZVFWFLSA-N 432.542 3.108 70 40 IGIB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(C)cc1C 216890106 VTQJCRVNEHQQEF-HSZRJFAPSA-N 443.613 3.262 70 40 IGIB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(C)(=O)=O 218331552 MXZBCBCVEYPUJM-UHFFFAOYSA-N 437.521 3.312 70 40 IGIB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(C)c(C)c1 218766222 QTVBGRWACLNIMO-FQEVSTJZSA-N 446.569 3.498 70 40 IGIB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CCN(C)CC3)cc2)cc1 216938232 XPFPPXLSZDKHOO-UHFFFAOYSA-N 429.586 3.282 70 40 IGIB COc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 218634364 PWEGGMHUWUUWCU-UHFFFAOYSA-N 436.961 3.496 70 40 IGIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c(C)c1 216859456 NMOOJFJZIQQOSV-IBGZPJMESA-N 429.586 3.039 70 40 IGIB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(F)cc1 217601607 HTVROKSUZNDXQZ-XCLNPWKQSA-N 442.874 3.323 70 40 IGIB CN(CCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 218297305 AAEUBBGTNGXWRU-UHFFFAOYSA-N 444.384 3.402 70 40 IGIB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)CC1 216875267 BIYMEBPWVKDQES-UHFFFAOYSA-N 428.341 3.182 70 40 IGIB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217798555 ZNNZIYIVZCYIRM-HNNXBMFYSA-N 436.443 3.265 70 40 IGIB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 218556857 LMPLEJLPBVQFLM-AWEZNQCLSA-N 442.940 3.391 70 40 IGIB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)c(C)c1 218649058 CHIQLJZRYATXJF-YLJYHZDGSA-N 446.569 3.497 70 40 IGIB O=C(c1cc(Br)cs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217848078 UAUBGYSBXPVIOU-LLVKDONJSA-N 434.319 3.446 70 40 IGIB Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CCN(C)CC2)c2ccccc2C)cc1 216933309 MMMHMEZGCNEBOO-UHFFFAOYSA-N 443.613 3.347 70 40 IGIB O=S(=O)(c1ccccc1Br)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217668622 YKMFJHGIRLDUAV-HNNXBMFYSA-N 433.331 3.343 70 40 IGIB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](C)(O)c3cc4ccccc4o3)n(C)n2)c1 217992916 FYLANVOLTPHPLV-XMMPIXPASA-N 435.480 3.488 70 40 IGIB Cc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)c1 218232643 USWVGZGZWKEETG-UHFFFAOYSA-N 448.932 3.123 70 40 IGIB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 218482285 SUXAZSGHTCUXGO-ZDUSSCGKSA-N 446.978 3.146 70 40 IGIB O=C1N=C(c2ccccc2)NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 102584342 KAWBQTNYXYPQRD-UHFFFAOYSA-N 448.462 3.256 70 40 IGIB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1 216629991 HOSDTFQPFIMEIY-UHFFFAOYSA-N 444.488 3.402 70 40 IGIB O=c1[nH]c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc2sc(-c3ccccc3)cc12 217562324 OEAJDEQUUFMIJT-DOTOQJQBSA-N 430.533 3.433 70 40 IGIB