smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1ccccc1NC(=O)COc1cccc(Cl)c1 94091 OHURPABPLZBWKO-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB Cc1cc(C)cc(NC(=O)Nc2cc(-c3ccccc3)nn2C)c1 157323 FESATPCCJSYJFL-UHFFFAOYSA-N 320.396 4.348 0 40 DIAB CCOc1ccc2nc(NC(=O)c3cccc(C)c3)sc2c1 349657 YOJNSKFBVYCZNY-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB COc1ccc(-c2[nH]c(=S)[nH]c2-c2ccc(OC)cc2)cc1 997192 NZKLDYYRLVFZCE-UHFFFAOYSA-N 312.394 4.423 0 40 DIAB Cc1ccccc1NC(=O)C[C@H](C)[C@@H](CCC(C)C)C(=O)O 2306686 BIVPKPIKICYZDK-LSDHHAIUSA-N 305.418 4.097 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1cccs1 4542184 BNBIVCDYTLSLCE-AATRIKPKSA-N 307.802 4.370 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)NCCSC(C)(C)C)cc1 4691369 IDMBNWNVTHNCSX-CYBMUJFWSA-N 311.516 4.124 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1nc2ccccc2s1 5062660 GMNNSBBPWOSRBF-NQYVGZPUSA-N 300.427 4.004 0 40 DIAB Clc1ccc2oc(/C=C/c3ccc4c(c3)OCCO4)nc2c1 5155594 QLISIWLLIOEQDD-QHHAFSJGSA-N 313.740 4.423 0 40 DIAB COc1ccc(C)cc1NC(=O)CSCc1cccc(C)c1 5701090 DIBKFIZDVCJMPV-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB Cc1ccc(-n2cc3c(-c4cccs4)nnc(C)c3n2)cc1 5795061 UHHSFFTYHWLKMN-UHFFFAOYSA-N 306.394 4.161 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 6656523 BXDJHHUDLOFTBQ-YRNVUSSQSA-N 316.209 4.440 0 40 DIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(F)cc1 7725392 FPIWIMSOMPPSFE-UHFFFAOYSA-N 323.371 4.154 0 40 DIAB O=C(CSc1ccc2ccccc2n1)NC1CCCCCC1 10140022 TXSPCBHQVWHQIJ-UHFFFAOYSA-N 314.454 4.166 0 40 DIAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccno1 10253871 CDYWZNVXXOIJOT-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 10428978 VPXWCADFXJRYSE-INIZCTEOSA-N 324.424 4.001 0 40 DIAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12577602 BSFGFFVQDYPSNE-GOSISDBHSA-N 319.408 4.157 0 40 DIAB COc1ccc(CC(=O)Nc2cccc(Cl)c2Cl)cc1C 13972058 RXLXHAMAZFOCJT-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)no2)cc1 21786481 CZCLHUYDFFQRND-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CCCc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 28879870 GAWBFLRQEKKUCN-GFCCVEGCSA-N 318.367 4.356 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1 32581163 PCPDEOZKRIYHGQ-YQQAZPJKSA-N 317.429 4.082 0 40 DIAB Cc1nc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2o1 39515135 UEZSLSWLNCLHKK-UHFFFAOYSA-N 320.270 4.407 0 40 DIAB Cc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1 44901904 LURYQORRIWXFQX-UHFFFAOYSA-N 311.425 4.031 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C)c1 44901975 DKEBQASCDCFKRC-LJQANCHMSA-N 311.425 4.086 0 40 DIAB FC(F)(F)Cn1cnnc1SCc1cccc2ccccc12 51975003 PWGFTBKKKWYLTC-UHFFFAOYSA-N 323.343 4.286 0 40 DIAB Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 54363212 MSEZSTLUPNNTGR-UHFFFAOYSA-N 317.882 4.142 0 40 DIAB CCOc1cc(C(=O)OC)ccc1OCc1cccc(Cl)c1 62170258 GQYZHIZCKRBHIU-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB c1cncc(CSc2nnc(CCC3CCCCC3)o2)c1 66257313 UZFLHWYBDUAREF-UHFFFAOYSA-N 303.431 4.270 0 40 DIAB CC(C)(C)OC(=O)Nc1cc(Br)ccc1Cl 83502320 QPLKXDQLRIQYIA-UHFFFAOYSA-N 306.587 4.450 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COC 224683581 PUFQAHWDPBABDC-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB Cc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 224987223 UBPKJRRJLXQLNC-UHFFFAOYSA-N 311.469 4.321 0 40 DIAB Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1C)C(=O)O 225076504 MDRSQMPKFIKRPA-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225136345 JJNVFLGDDOTKCL-IBGZPJMESA-N 312.409 4.303 0 40 DIAB Cc1ccc2[nH]c3c(NCCc4ccc(F)cc4)ncnc3c2c1 540980 LHMMWAIPSKEJOP-UHFFFAOYSA-N 320.371 4.213 0 40 DIAB CCCCC(CCCC)N[C@H](C)COC(=O)c1ccc(N)cc1 1709191 RDCLDFKWBAJYMF-OAHLLOKOSA-N 320.477 4.153 0 40 DIAB Clc1ccc(OCc2nnc(-c3ccccn3)o2)c(Cl)c1 3013276 DSTHFOUDQQJUGA-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1 3327028 VOCNCIAHKYLHAL-UHFFFAOYSA-N 322.238 4.164 0 40 DIAB CSc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 4517376 QJTHVEKFALYSDI-JTQLQIEISA-N 318.467 4.242 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccncc1 5949167 KLDCPVVPVQEPMM-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CCCCNC(=O)CSCc1c(Cl)cccc1Cl 6648515 DNDYWZFUBDVBFW-UHFFFAOYSA-N 306.258 4.143 0 40 DIAB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)O[C@H](C)C3)cc1 8684981 AEQTYHLWMVTNJH-BFUOFWGJSA-N 320.392 4.163 0 40 DIAB Cc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 9710988 BKLYWCDVJVWWPE-AWEZNQCLSA-N 300.377 4.037 0 40 DIAB COc1ccc2[nH]cc([C@H]3CCN(Cc4cccc(F)c4)C3)c2c1 12329470 UDDHOCQMIMZSLV-HNNXBMFYSA-N 324.399 4.305 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)c3cccnc3)n2)c(C)c1 12798738 ZZZXUCXQINDUID-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1C 13671155 GGBPYMMGBPTFKR-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1 13708830 LQHJHSGCZYBTOB-CVEARBPZSA-N 319.404 4.485 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccoc2)n1 14185720 IVQZWBRXUYNLBI-UHFFFAOYSA-N 323.377 4.445 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(F)cc1 15335183 WBAHOXJETQZTGQ-AWEZNQCLSA-N 323.367 4.063 0 40 DIAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(F)cc1F 16241001 XRUNVFYPVBUMJF-NSHDSACASA-N 306.381 4.321 0 40 DIAB CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27662136 JXPBKNOQGIPTJI-LJQANCHMSA-N 316.489 4.074 0 40 DIAB CCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 28287328 KYLDLUKRFUOWRR-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB Cc1cc(NC(=O)N2CCCC[C@H]2C)ccc1Br 40097476 RDIMZIYVMDVWOK-LLVKDONJSA-N 311.223 4.164 0 40 DIAB CC(C)Oc1cccc([C@@H](O)c2ccc(Br)cc2)c1 61666913 DFWRNXQMBOUELG-INIZCTEOSA-N 321.214 4.318 0 40 DIAB CCOCc1ccccc1NC(=O)N[C@@H](C)c1cc(C)oc1C 67678872 OBAZXXNGJFNPAC-ZDUSSCGKSA-N 316.401 4.316 0 40 DIAB CC(C)c1cnc(CN(C)Cc2ccc(OC(F)F)cc2)o1 69775504 SSWINWCVQJOVCU-UHFFFAOYSA-N 310.344 4.031 0 40 DIAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(C)n1 84086318 OHSCMQMLUMYSHR-GFCCVEGCSA-N 303.793 4.235 0 40 DIAB CC(C)(C)OC(=O)n1c([C@H](O)C(F)(F)F)cc2ccccc21 91352956 YGBOPYYFRRIEJT-LBPRGKRZSA-N 315.291 4.020 0 40 DIAB CC(C)CC1(CN[C@@H](c2ccc(F)cc2)c2ccn(C)n2)CC1 95462841 BAKAQURUVBEIRO-SFHVURJKSA-N 315.436 4.065 0 40 DIAB Cc1nc(C(C)C)c(-c2nn3c(C4CCC4)nnc3s2)s1 95479105 SGDZRNVPEPLPOR-UHFFFAOYSA-N 319.459 4.009 0 40 DIAB CCc1cccc(C)c1Nc1nnc(SCC(C)(C)O)s1 95947681 ZXWJXENYZOQWRB-UHFFFAOYSA-N 323.487 4.016 0 40 DIAB Cc1cccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c1 96759117 YTJFULXLTDNLSA-XNTDXEJSSA-N 322.433 4.328 0 40 DIAB Cc1nc(C)c(CNCc2ccc(F)c(C(F)(F)F)c2)s1 97021699 KQJFDPLFWSRQOP-UHFFFAOYSA-N 318.339 4.208 0 40 DIAB Cc1c(C(=O)Nc2ccnn2C(C)(C)C)oc2c(C)cccc12 107122926 VNOXJIDNCGYXER-UHFFFAOYSA-N 311.385 4.253 0 40 DIAB Cc1ccccc1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225015204 WFIIJQRCZSLMQG-GOSISDBHSA-N 312.409 4.367 0 40 DIAB c1cc(CN2CCCC[C@@H]2c2ncn3ccsc23)cs1 257247594 IZPQJYVBJJBHFT-CYBMUJFWSA-N 303.456 4.185 0 40 DIAB Oc1nc(-c2ccco2)nc2sc3c(c12)CCCCCC3 408986455 CLPMPRATECPHKX-UHFFFAOYSA-N 300.383 4.316 0 40 DIAB O=C(NC[C@H](c1ccco1)c1cccs1)Nc1cccs1 585146714 GSJZNLDLTXDEBP-LLVKDONJSA-N 318.423 4.356 0 40 DIAB CC(C)CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 62302 NYUMBAHKMIBFCS-UHFFFAOYSA-N 311.381 4.142 0 40 DIAB CCN(CC)C(=O)CSc1nc2cc(C)cc(C)c2cc1C 412485 XFAYBDZHKIRJOB-UHFFFAOYSA-N 316.470 4.121 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)c(C)c1 557879 LMCRWZHVZRWKOL-UHFFFAOYSA-N 319.202 4.022 0 40 DIAB CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 569302 BSJFGEDTFZSBJU-UHFFFAOYSA-N 314.351 4.434 0 40 DIAB C[C@@H](O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 1017195 QTKCCGREESNVSC-CQSZACIVSA-N 305.377 4.074 0 40 DIAB COc1cc(NCCCCCNCC(C)C)c2ncccc2c1 1687531 OGCLRJAHTILUOL-UHFFFAOYSA-N 315.461 4.071 0 40 DIAB COc1ccc(C(=O)Oc2cc(C)cc(C(C)C)c2)cc1OC 3291765 SNLRWCWTRMPJFD-UHFFFAOYSA-N 314.381 4.355 0 40 DIAB O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)CCC2 3373257 JMVWFCATTXRSEX-UHFFFAOYSA-N 317.388 4.346 0 40 DIAB COCCn1cc(NC(=O)Nc2ccc(C)cc2)c2ccccc21 5266470 CMCCOMBHBGEFOS-UHFFFAOYSA-N 323.396 4.240 0 40 DIAB COc1ccc(C)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 5280968 XCNCYJZYTZANCV-UHFFFAOYSA-N 314.425 4.263 0 40 DIAB CCCNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 5468645 KTRCTYZWWCOLKZ-UHFFFAOYSA-N 304.393 4.350 0 40 DIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1 6788913 PCYHCERWPIGYMN-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1cc(F)ccc1C 7133096 FSDYVZIWVFMDCL-UHFFFAOYSA-N 301.361 4.104 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 7402382 LJITZJCMADJGNS-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1C 7756715 PVVVUICCIPYINW-TZMCWYRMSA-N 300.427 4.330 0 40 DIAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(F)c1 9064359 XZQQSKZJTQMDED-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1cc2cc(OC)ccc2[nH]1 9581778 NUSGHRPQUUHVEO-ZDUSSCGKSA-N 302.418 4.123 0 40 DIAB COc1ccc2cc(CNC(=O)Nc3ccc(F)cc3)ccc2c1 10258857 GSDXGUWHXMGEIL-UHFFFAOYSA-N 324.355 4.309 0 40 DIAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 11636885 PPUQQAKEFWWODT-SFHVURJKSA-N 313.397 4.054 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccs1 12753916 JLYSLBHNXBXHOA-GHMZBOCLSA-N 309.818 4.046 0 40 DIAB CCc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 12938959 UKLHYHDDKDCODK-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)s1 12981928 PNSIWBMTDHNRTF-UHFFFAOYSA-N 307.444 4.208 0 40 DIAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 14424908 KNEAGFUVHSDEBZ-JTQLQIEISA-N 324.207 4.493 0 40 DIAB Cc1ccc(NC(=S)NCCc2cccs2)c(Cl)c1 17032217 QAEFWSJBYDYLDF-UHFFFAOYSA-N 310.875 4.239 0 40 DIAB CCCCOc1ccccc1CNc1cc(OC)ccc1OC 19737817 JMRZDAOPGTUORY-UHFFFAOYSA-N 315.413 4.495 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1C 20455758 JDQBYQQCMMZCSB-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 20459971 KPOQZHDXVPSKMO-INIZCTEOSA-N 311.425 4.202 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 24834906 ZICNYEPDVFDOBT-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCCC(C)(C)C1 30835488 SIZQBPUXFDHPLX-MRXNPFEDSA-N 303.446 4.109 0 40 DIAB CC[C@@H](C)C(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 36398053 XQFVWRBTECQVKF-OAHLLOKOSA-N 312.413 4.153 0 40 DIAB CNCc1cc(F)ccc1Oc1ccc(Br)cc1 37237642 PRAAUKSEULTHFH-UHFFFAOYSA-N 310.166 4.100 0 40 DIAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(Oc2ccccc2)c1 49549249 QUGFGIACMUJPKU-MRXNPFEDSA-N 319.364 4.336 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 58394195 FVYFXFWGVDRFIX-RCUKCDDKSA-N 324.424 4.429 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC(C)C)cc1 61961168 UHSRSJWLTKXYOF-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72215084 LZCRGBAWRYWLEX-DZGCQCFKSA-N 319.449 4.046 0 40 DIAB CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)CC1CCCCC1 72286558 PEWFYFJJZBVNHT-INIZCTEOSA-N 323.502 4.197 0 40 DIAB Nc1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)cc1 89262410 OPKNWCRJQWTCEY-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB Cc1cc(CN[C@H](C)c2sc(-c3ccccc3)nc2C)no1 95420861 BIXYOYPPPDHWBO-GFCCVEGCSA-N 313.426 4.266 0 40 DIAB O=C(CCn1ccc2ccccc21)Nc1cccc2[nH]ccc12 95479404 QOXRODYDRBRCAP-UHFFFAOYSA-N 303.365 4.151 0 40 DIAB Cc1ccc(CNc2cccc(C[S@](C)=O)c2)cc1Cl 195447713 YWPDZSZSSMYXKT-FQEVSTJZSA-N 307.846 4.139 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195559841 QJFOPNOLIOPAPA-VVFCZOMOSA-N 301.430 4.030 0 40 DIAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1 214039215 NIDPEFXOTWQTGF-LYXWDPSCSA-N 321.401 4.479 0 40 DIAB Cc1cccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225070325 HXJFJLDHFCCHOY-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC[C@@H](C)NC(=S)Nc1c(C)cc(Br)cc1C 225192480 ACCCWELEGRBNTR-SNVBAGLBSA-N 315.280 4.151 0 40 DIAB CC(C)Oc1ccc(NC(=S)NCc2cccc(F)c2)cc1 225837355 ZPEGIDKOZJIBPW-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1ccnc(OCC2CC2)c1 253396637 DYLXHJDPFYDNBO-UHFFFAOYSA-N 316.788 4.085 0 40 DIAB Fc1cccc(N[C@H]2CCCN[C@H]2Cc2cccc(Cl)c2)c1 257206582 BECKVLWVUWDSEO-ROUUACIJSA-N 318.823 4.254 0 40 DIAB COc1ccc(C(=O)NC2(c3cccs3)CCCC2)cc1F 390828188 PHTIXSNQNBURLN-UHFFFAOYSA-N 319.401 4.095 0 40 DIAB S=C(Nc1ccc2conc2c1)Nc1ccccc1Cl 409194978 NZXYDVCUWNYDEL-UHFFFAOYSA-N 303.774 4.290 0 40 DIAB COc1cc(C(=O)CCc2ccccc2)ccc1Br 575362334 GLBHZCODHZQUIS-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB CCCC1CCC(C2CCC(C(=O)N3CCOCC3)CC2)CC1 333438 PCJMPXIKKIHAMB-UHFFFAOYSA-N 321.505 4.258 0 40 DIAB CC(C)CC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 533531 NPQLSMFUAVCGQY-UHFFFAOYSA-N 324.428 4.225 0 40 DIAB Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 1415878 NJWHHZBUUTZLJM-UHFFFAOYSA-N 318.405 4.245 0 40 DIAB N=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1 4578290 VOVGKENESYJTQI-VOWDTPQSSA-N 314.797 4.396 0 40 DIAB CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(OC)c(OC)c1 5466884 MLBHRGIBPLGDED-HBIYDYFMSA-N 319.445 4.050 0 40 DIAB COc1cc(C)ccc1Oc1ncnc2sc3c(c12)CCC3 6507819 RCZAQYFMTAZMEE-UHFFFAOYSA-N 312.394 4.289 0 40 DIAB Cc1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 7390635 ZGFVTSDOOAYJPG-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB COCc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 7667273 OADIFIFHNJCBOW-UHFFFAOYSA-N 309.287 4.104 0 40 DIAB CCSc1ccccc1C(=O)NCCSc1ccccc1 8041491 UYWRJMUHUYLJSY-UHFFFAOYSA-N 317.479 4.321 0 40 DIAB CCOc1ccccc1OCCCc1nc(-c2ccccc2)no1 8429204 IOLCGFSLGQXVKU-UHFFFAOYSA-N 324.380 4.147 0 40 DIAB CC(C)C(=O)Nc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 12529564 MDPQGLVQPDHTPG-UHFFFAOYSA-N 313.788 4.249 0 40 DIAB Cc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1 12850002 NCKOIVASMFDOOK-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB O=C(NCCc1ccsc1)c1ccc(Cl)c(Cl)c1 13698226 NTGKWNDYJGUEIO-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB COc1cccc(-c2cccc(CN(C)Cc3cc(C)[nH]n3)c2)c1 19658556 XNQSQHHUVLUMLW-UHFFFAOYSA-N 321.424 4.026 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)c(C)c1 20105537 VVZYCGFTFIRXTG-QGZVFWFLSA-N 311.425 4.340 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1cccnc1 22421212 ZXMJKLYXUJGJNC-CQSZACIVSA-N 324.409 4.060 0 40 DIAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1 30266912 IYYAWMNHHVXMSB-INIZCTEOSA-N 316.404 4.372 0 40 DIAB Cc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 32480282 FHOTYNGJRSZRCK-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB CC[C@@H](C)[C@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 48301918 NRHUOAWRVOBDDP-OVNLOREASA-N 319.445 4.046 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCCc1ccc(F)cc1 48365870 LYHKTPOCCPCFCI-UHFFFAOYSA-N 314.404 4.315 0 40 DIAB Clc1cccc(CN2CC[C@H](c3nc4ccccc4o3)C2)c1 49168853 WMBLAXOKZFMHGA-AWEZNQCLSA-N 312.800 4.471 0 40 DIAB biogenic,in-vitro Fc1ccc(-c2cnc(SCc3cn4ccccc4n3)[nH]2)cc1 61142981 HOSWJIZICLTRLM-UHFFFAOYSA-N 324.384 4.156 0 40 DIAB N[C@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 72225418 GRRLESCGPBYOLD-LJQANCHMSA-N 306.434 4.422 0 40 DIAB Cc1nc(Nc2cnn(C)c2)c2c(-c3ccccc3)csc2n1 84271667 VUGURUQUJRLZFB-UHFFFAOYSA-N 321.409 4.144 0 40 DIAB C[C@H](N[C@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2 95450961 QQUIADPCFWZFLX-ZJUUUORDSA-N 308.397 4.322 0 40 DIAB Cc1nc2ccc(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cc2s1 102267241 QXVMQAIJWQIGMO-MJVIPROJSA-N 317.483 4.080 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)cc1 102338830 GVZILAKFWWDAGS-RWQQGDIJSA-N 323.436 4.121 0 40 DIAB COc1cccc2c1P(C(C)(C)C)[C@H](c1ccccn1)O2 1772768971 NFXZRUNTUSEVGQ-UJONTBEJSA-N 301.326 4.087 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1 364842 MEOUSBBZGRIXMM-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCN(CC)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 509893 PSRITGVQRLPEFH-UHFFFAOYSA-N 315.800 4.053 0 40 DIAB CCO[P@]1(=O)OCC(Cl)(Cl)[C@H](c2ccccc2)O1 1747652 KSCUSLLSWVGGLC-XTZNXHDOSA-N 311.101 4.093 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1ccc(OC(F)(F)F)cc1 2620600 ZFJOWRFXUTZQLN-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB CCC(CC)c1nnc(NC(=O)CCCc2ccccc2)s1 2735168 IACRUWQADLYFEI-UHFFFAOYSA-N 317.458 4.403 0 40 DIAB O=C(CSCc1ccccc1F)Nc1ccc(Cl)cc1 2887362 ZZPJMTHBIGDYAD-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 3225596 AZUYWOVNGVYYQS-AWEZNQCLSA-N 317.429 4.262 0 40 DIAB Cc1ccc(NCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 3427308 SMDVSFHCAIWHDU-UHFFFAOYSA-N 302.805 4.316 0 40 DIAB Cc1cc2nccc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2n1 4050632 VCEAAZIILUQLQB-SNVBAGLBSA-N 322.195 4.485 0 40 DIAB COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 4330912 CGPKAHGVVLGIFH-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB Cc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1 7368299 RVZKMNUSSYOWGG-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 8478687 HVQDQZRHSJCHQY-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CCC[C@@H](C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732908 PXSVYQZEKROGOB-LLVKDONJSA-N 309.431 4.017 0 40 DIAB CSCc1csc(NC(=O)c2cccc3ccccc23)n1 12230132 NLKAIFZRKBQRHA-UHFFFAOYSA-N 314.435 4.412 0 40 DIAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1 12933076 JZXYBINMWLKLTE-CQSZACIVSA-N 321.804 4.446 0 40 DIAB c1ccc(-c2csc3ncnc(NN4CCCCC4)c23)cc1 13071182 HOXOGHPJZXBZGN-UHFFFAOYSA-N 310.426 4.171 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 13710909 BNIQIZZECYKLCY-MRXNPFEDSA-N 309.409 4.050 0 40 DIAB COc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 14424909 KNEAGFUVHSDEBZ-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)c(C)c1C 16780182 GDJPPCBXCFEKON-UHFFFAOYSA-N 323.502 4.264 0 40 DIAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 17115569 JUAKQJMVVSFESY-UHFFFAOYSA-N 323.223 4.335 0 40 DIAB CCCCCOc1ccccc1C(=O)Nc1ccc(N)cc1C 19736408 QTMFRJAQCCCKKQ-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB O=C(NCC1(c2cccs2)CC1)c1c(F)cccc1Cl 22680081 LTQPCOBKYYGYTK-UHFFFAOYSA-N 309.793 4.002 0 40 DIAB O=C(NC1CC1)c1ccccc1CSc1nc2ccccc2o1 29564317 GXFUWTGYQPONIO-UHFFFAOYSA-N 324.405 4.012 0 40 DIAB O=C(O)/C=C/c1ccc(-c2cccc(Br)c2)s1 32627059 VPDSDCTZUJEUAD-FNORWQNLSA-N 309.184 4.275 0 40 DIAB in-vitro Cc1cc(Cl)ccc1NC(=O)CCc1ccc(F)c(F)c1 32815702 DSFUMWNSCWMMSZ-UHFFFAOYSA-N 309.743 4.498 0 40 DIAB CCC[C@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1 40025793 TZTVNBORIGDXES-IBGZPJMESA-N 318.420 4.435 0 40 DIAB Cc1noc(C)c1CNc1cccc(NC(=O)OCC(C)C)c1 58152406 NIDFTWYXWUHAOD-UHFFFAOYSA-N 317.389 4.108 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCCC[C@@H]1c1ccncc1 71824394 GUQLVRSEEAIURI-VAMGGRTRSA-N 320.436 4.329 0 40 DIAB CC(C)CC1(CN[C@H](c2ccc(F)cc2)c2ccn(C)n2)CC1 95462842 BAKAQURUVBEIRO-GOSISDBHSA-N 315.436 4.065 0 40 DIAB O=C(Nc1ccsc1)Nc1ccc(F)cc1Br 97164644 ZYULCUCPXVTOHA-UHFFFAOYSA-N 315.167 4.294 0 40 DIAB C[C@]12CNC[C@@](C)(CN(C(c3ccccc3)c3ccccc3)C1)C2 100511985 SJMBNLLHJPEHNV-VXKWHMMOSA-N 320.480 4.098 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2[C@H](O)CO 118925664 QUQBOXYLXZAONE-OCVRYPSCSA-N 320.517 4.389 0 40 DIAB O=Cc1ccc2oc(-c3ccccc3Br)nc2c1 216795980 WDIHXSBWSNXYQE-UHFFFAOYSA-N 302.127 4.070 0 40 DIAB Cc1cc(C)cc(CSCC(=O)NCC2=CCCCC2)c1 223400494 JCKRFUOJWVSMMV-UHFFFAOYSA-N 303.471 4.153 0 40 DIAB COCC(=O)Nc1ccccc1SCc1ccc(Cl)cc1 225222728 KVSHKXCIIBKZSA-UHFFFAOYSA-N 321.829 4.217 0 40 DIAB CO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225608757 ZAPDVGDUUSGFPC-IBGZPJMESA-N 321.461 4.480 0 40 DIAB CCOc1ccccc1NC(=S)NC1(C2CC2)CCCC1 225848056 MMPXJZBGHZVILE-UHFFFAOYSA-N 304.459 4.095 0 40 DIAB COc1ccc(CNC(=S)c2cccc3ccccc23)cc1 408573065 LMONUKGRRYAGKJ-UHFFFAOYSA-N 307.418 4.314 0 40 DIAB CCOc1cccc(NC(=O)c2cc3cc(OC)ccc3o2)c1 409188150 WYNBTGSYLPIWJJ-UHFFFAOYSA-N 311.337 4.092 0 40 DIAB Cc1cc(C)n(-c2nnc(-c3ccc(F)cc3)c3ccccc23)n1 137313 DQTLPFRZFUIKSA-UHFFFAOYSA-N 318.355 4.238 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1Br 353945 AMOMADMXAJBZGS-NSHDSACASA-N 316.198 4.041 0 40 DIAB COc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 508044 JJAAVNMJZMPAGC-UHFFFAOYSA-N 313.426 4.250 0 40 DIAB CCSc1ccccc1C(=O)Nc1nnc(CC(C)C)s1 1010422 BWDHQWSJBIXEIR-UHFFFAOYSA-N 321.471 4.101 0 40 DIAB O=C1CCCc2ccccc2N1Cc1c(F)cccc1Cl 1386962 VYFFTQJLDNZCRS-UHFFFAOYSA-N 303.764 4.349 0 40 DIAB CC(C)N(C)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 1843241 KAYIKQQQTHUULM-RBUKOAKNSA-N 315.457 4.010 0 40 DIAB COc1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2c1 2763491 PNGQTNOFXWGWDD-UONOGXRCSA-N 324.405 4.047 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 3609031 UPRYWDGLZUMLLM-FQEVSTJZSA-N 318.420 4.294 0 40 DIAB Clc1ccc2nc(-c3ccccc3)c(Br)n2c1 4002897 QFRGJBSPRQPFFD-UHFFFAOYSA-N 307.578 4.417 0 40 DIAB Cc1ccc(Nc2nc(C(=O)NC3CCCCC3)cs2)cc1 4675502 MRTRSOGBZDPPEY-UHFFFAOYSA-N 315.442 4.258 0 40 DIAB COc1ccc(-c2nnc(-c3cccs3)c3conc23)cc1 5675964 OVDVEBLLNHNAMO-UHFFFAOYSA-N 309.350 4.022 0 40 DIAB COc1ccc(C(=O)C2=C[C@@H]3Cc4ccccc4[C@H]3C=C2)cc1 5744414 FCOIQWUHJQIHKB-PXNSSMCTSA-N 302.373 4.330 0 40 DIAB CCSc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 6604444 GJDVVRCDKFGGQI-UHFFFAOYSA-N 315.438 4.379 0 40 DIAB CC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1 6666847 PRCIJLPZXSCLLP-UHFFFAOYSA-N 323.367 4.473 0 40 DIAB c1ccc(Cc2ccccc2-c2nnc(-c3cccnc3)o2)cc1 6938475 VWIJGNGLYJRWOL-UHFFFAOYSA-N 313.360 4.389 0 40 DIAB Cc1ccc(C)c(NC(=O)CSCc2ccc(F)cc2)c1 7146303 HXTYDQBTGCMOTH-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB COc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 7529501 XILIVJDZVMRULJ-QGZVFWFLSA-N 312.438 4.059 0 40 DIAB Cc1ccc(-c2cnc3c(-c4ccccc4)c(C)nn3c2N)cc1 8730755 IQMQPRCXKQCVBY-UHFFFAOYSA-N 314.392 4.262 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@@H](CCC)C(=O)O 8732911 SJRJJGPRDPECAE-WFASDCNBSA-N 323.458 4.407 0 40 DIAB CC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 8982099 WLHJUUVIHAILHP-UHFFFAOYSA-N 301.773 4.114 0 40 DIAB Cc1ccc(C)c(OC(=O)c2ccc(Cn3cccn3)cc2)c1C 10642412 NRLFXIBSXOQLGI-UHFFFAOYSA-N 320.392 4.076 0 40 DIAB O=C(O)c1cccc(CSc2ccc(Br)cc2)c1 11894777 VONXQHQKHUMCNF-UHFFFAOYSA-N 323.211 4.440 0 40 DIAB O=C(c1ccc2ccccc2c1)N1CCO[C@@H](c2ccccc2)C1 12441538 WANAWIBXWDPYRH-HXUWFJFHSA-N 317.388 4.054 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(C)cc1 14462941 JJEZCUNALKWMHU-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB COc1ccc([C@@H](NC(=O)CC(C)(C)C)c2ccccc2)cc1 25448527 ZXMHWXASPKWRPH-IBGZPJMESA-N 311.425 4.337 0 40 DIAB O=C(CSc1cccc2ccccc12)NCCc1ccccc1 32696295 IDRUFFDDTGFNHE-UHFFFAOYSA-N 321.445 4.291 0 40 DIAB COc1ccc(-c2ccc3cnn(Cc4ccc(C)o4)c3n2)cc1 32739791 RBXIBOCWWKXIRG-UHFFFAOYSA-N 319.364 4.057 0 40 DIAB Cc1c(C(=O)OC2CCN(C)CC2)oc2c1ccc1ccccc12 33005399 MCTVSBINLVEQNJ-UHFFFAOYSA-N 323.392 4.145 0 40 DIAB CCCN(CCC)C[C@H](O)COC1CCC(C(C)(C)C)CC1 55450207 QTYAZRLLQFIOTL-ADKAHSJRSA-N 313.526 4.091 0 40 DIAB OC1=NC(=S)S/C1=C\c1csc(-c2ccsc2)n1 63275048 OEZABFQGMCLDFW-BAQGIRSFSA-N 310.450 4.201 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1nccc2ccccc12 65492564 ZKLCAOSUWZNCRE-MRXNPFEDSA-N 322.433 4.446 0 40 DIAB CCOC(=O)n1cc(Br)c2c(Cl)cccc21 90471304 NYAGQMWNCBEVIU-UHFFFAOYSA-N 302.555 4.062 0 40 DIAB CC(C)(C)[S@@](=O)Cc1cccc(NCc2ccsc2)c1 95429132 PUDJGADPFUTCKE-HXUWFJFHSA-N 307.484 4.407 0 40 DIAB Nc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216919579 QCJKKIYKIQFEPD-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB CSc1cccc(NC(=O)c2ccccc2OC(C)C)c1 219734137 OXGCLMPXNHEJDF-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1C 225061625 HTDAFNGOMNQUEN-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCCc1nc(-c2noc(C[C@@H](C)c3ccccc3C)n2)co1 557523174 SHIREYMNQSBFKK-CYBMUJFWSA-N 311.385 4.332 0 40 DIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1ccc(O)cc1)N2 818072 PTFPPPLPMSIGHK-LJQANCHMSA-N 305.381 4.153 0 40 DIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 3423104 JRWJAMVXRRIWJH-JTQLQIEISA-N 311.278 4.336 0 40 DIAB O=C(Nc1ccccc1)Nc1ccccc1Sc1cnccn1 4110251 BKWDWVCUVVKOCT-UHFFFAOYSA-N 322.393 4.272 0 40 DIAB CCOc1ccccc1OCc1nc(-c2ccccc2C)no1 6784683 XCTNUAHWYMUSHR-UHFFFAOYSA-N 310.353 4.023 0 40 DIAB CC(C)(C(=O)Nc1cccc(Br)c1)c1ccccc1 7609599 OKNUWKSQFGDEFW-UHFFFAOYSA-N 318.214 4.365 0 40 DIAB CC(C)CNc1nc(Cc2ccccc2)nc2c1SCCC2 9135283 RPNIXFDIHPQSNM-UHFFFAOYSA-N 313.470 4.174 0 40 DIAB CCOc1ccc(NC(=O)Nc2ccccc2F)cc1OCC 9218346 XGASQQRJVNRESN-UHFFFAOYSA-N 318.348 4.267 0 40 DIAB O=c1[nH]c(CSCc2ccccc2Cl)nc2ccsc12 9377416 CUIQHUJPPSIYGZ-UHFFFAOYSA-N 322.842 4.071 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 10808720 SKFCFVPVAXKUKP-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB Cc1nc(NCCc2ccccc2C)c2c3c(sc2n1)CCC3 12620040 XALNDPNODOMKGO-UHFFFAOYSA-N 323.465 4.451 0 40 DIAB c1coc(CNC2=NN=C(c3ccc4ccccc4c3)CS2)c1 12735935 VRYDZQVQHNUWOW-UHFFFAOYSA-N 321.405 4.030 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCc2ccccc21 12872890 OZCMWAXHFCBLHQ-AWEZNQCLSA-N 312.438 4.081 0 40 DIAB Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 19736654 BSUIXJMPURHJQW-UHFFFAOYSA-N 304.349 4.313 0 40 DIAB CCCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccco2)C1 20192529 DQASTENUFJGLPP-UHFFFAOYSA-N 318.442 4.178 0 40 DIAB CCc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 29053542 TUNUPSARJADHRJ-UHFFFAOYSA-N 307.397 4.087 0 40 DIAB O=C(CSCc1ccc(F)cc1)NC1CCCCCCC1 30753685 WLVWWRZTEMYLTR-UHFFFAOYSA-N 309.450 4.288 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)SCc2ccccc2)cc1 30758350 BAAHPOHSFVOPJT-INIZCTEOSA-N 313.466 4.275 0 40 DIAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 40525962 IKRMQQWGGLBOFD-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB Cc1ccc(C(=O)N(C)Cc2cc(Br)cs2)cc1 48069415 KVGPBGMOTNJJNX-UHFFFAOYSA-N 324.243 4.091 0 40 DIAB Cc1nc(C)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(F)c2)s1 56487753 WXZCVSXJPQLUOQ-GXSJLCMTSA-N 321.421 4.020 0 40 DIAB CCc1c(-c2csc(NCC3CCC3)n2)[nH]c(C)c1C(C)=O 63630313 XSYLCDQQQOYLGS-UHFFFAOYSA-N 317.458 4.424 0 40 DIAB Cc1cc(NC(=O)[C@@H](C)Sc2c(C)c(C)cc(C)c2C)on1 65548428 SFRSUWRHNSBTDW-CQSZACIVSA-N 318.442 4.336 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 71857538 ZQNVCORGIAEWBY-FQEVSTJZSA-N 308.425 4.276 0 40 DIAB CC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1 86197830 GHXSYRJPGCLOMS-UHFFFAOYSA-N 315.442 4.371 0 40 DIAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(N)=O)cc1 96345951 QLIYRZXHTFGGGV-UHFFFAOYSA-N 324.405 4.209 0 40 DIAB Cc1cccc([S@@](=O)Cc2ncc(-c3cccs3)o2)c1 96461113 HKCSNSNKKDDULT-HXUWFJFHSA-N 303.408 4.019 0 40 DIAB c1ccc([C@@H]2CN(C[C@H]3CCCCO3)Cc3ccccc32)cc1 108059202 BIWSCYRZAJFDGR-CTNGQTDRSA-N 307.437 4.203 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 216270564 QDSIJRUDOMICMP-QGZVFWFLSA-N 311.425 4.038 0 40 DIAB Fc1cccc(-c2ccc3c(Br)nsc3n2)c1 217730570 LNAZOJKQLRRXEW-UHFFFAOYSA-N 309.163 4.260 0 40 DIAB CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)c(C)c1 222763031 QJOGGECUWRXGAO-IBGZPJMESA-N 311.425 4.258 0 40 DIAB Cc1cccc(C)c1NC(=O)c1snnc1-c1ccccc1 225758973 XBYZDQOIXHRBSY-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCCCSc1nnc(Cc2ccccc2)n1CC(C)C 409100281 UBOQCORQSPNDQG-UHFFFAOYSA-N 303.475 4.417 0 40 DIAB COc1ccc2cc(C(=O)C(F)(F)Br)ccc2c1 575358520 OTSXJZDSOCXWHS-UHFFFAOYSA-N 315.113 4.019 0 40 DIAB CC(C)(C)N(O)C(=O)OCC1c2ccccc2-c2ccccc21 725239901 CHJFVEZFILBMDO-UHFFFAOYSA-N 311.381 4.425 0 40 DIAB COc1cc2c(cc1/C=C1/C(=O)Nc3ccccc31)CCCC2 574856 OPRISPXBUZRQQD-GZTJUZNOSA-N 305.377 4.067 0 40 DIAB O=C(Cn1ccc2ccccc21)Nc1cccc2ccccc12 581695 WQMZROTVWZNSCY-UHFFFAOYSA-N 300.361 4.433 0 40 DIAB Cc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 1793818 XMKGLDDJGFNIKR-UHFFFAOYSA-N 309.820 4.340 0 40 DIAB O=C(O)CCCCCCC(=O)c1ccc(C(F)(F)F)cc1 2579918 KHIGGEUMLVMXCO-UHFFFAOYSA-N 302.292 4.313 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1OCC 2729917 JXIUZMDDIVTZNP-OAHLLOKOSA-N 321.461 4.429 0 40 DIAB CCC(CC)C(=O)OCC(=O)c1ccc(Cl)cc1Cl 3262299 BENKCSPFXGKQMC-UHFFFAOYSA-N 303.185 4.156 0 40 DIAB NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 3905416 XALTUCOIORLBHQ-YQZTXLELSA-N 318.420 4.082 0 40 DIAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)cc(C)c3o2)c1 4988452 IRNUBFGOOQRWRR-UHFFFAOYSA-N 324.380 4.474 0 40 DIAB Fc1ccc(NC2=NN=C(c3ccc(Cl)cc3)CS2)cc1 5859378 ZQKDAPZFZVEUGB-UHFFFAOYSA-N 319.792 4.398 0 40 DIAB COC(=O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCCC[C@H]23)cc1 6950462 WKKRFOSWBZQPAM-NEWSRXKRSA-N 323.392 4.108 0 40 DIAB O=C(Cn1ccc2ccccc21)Nc1ccc2ccccc2c1 7099569 SZYOMXNTXKBPJI-UHFFFAOYSA-N 300.361 4.433 0 40 DIAB COc1ccc(-c2cc3cccnc3n2Cc2ccncc2)cc1 12148101 BIYVXMMDVBAGJZ-UHFFFAOYSA-N 315.376 4.155 0 40 DIAB Cc1cc(C(=O)CSc2ccc(C(F)(F)F)cn2)c(C)[nH]1 12545509 GENPPJTUXXRKAS-UHFFFAOYSA-N 314.332 4.020 0 40 DIAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCC2 12789553 PPTMPTAVAGHRDF-UHFFFAOYSA-N 316.198 4.190 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 14006493 SPMSNDQEEXWIBK-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CC(C)c1ccc(C(=O)CSc2nc(C(C)C)n[nH]2)cc1 14094211 UEOVYGGLMORCBH-UHFFFAOYSA-N 303.431 4.027 0 40 DIAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2C[C@H]2C)cc1 14794221 HGXXCHXUGLRMNY-CJNGLKHVSA-N 311.381 4.472 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)C1 15085188 QQTBAIIREMQQAS-QMTHXVAHSA-N 315.413 4.486 0 40 DIAB Cc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)s1 19217208 RKJZGRYLOZVOEU-OAHLLOKOSA-N 311.454 4.312 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1C 20481358 OBQIENVOQIXORQ-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB CC[C@H](C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20487853 KHAARCRTSNORLU-INIZCTEOSA-N 322.452 4.168 0 40 DIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(F)cc1 28907123 OPVCURTWAJBCNW-ZDUSSCGKSA-N 300.377 4.388 0 40 DIAB CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCc2ccccc21 29258291 QEJMCFTVXVFLKU-IBGZPJMESA-N 304.393 4.318 0 40 DIAB CC(C)c1nc(CC(=O)N2CCc3sccc3[C@@H]2C)cs1 31714944 ZHDCIUPYAHCKFT-NSHDSACASA-N 320.483 4.016 0 40 DIAB C/C=C/c1ccc(OCc2nc3ccccc3n2C)c(OC)c1 33481280 HTCRFRFWYCVNPM-QPJJXVBHSA-N 308.381 4.194 0 40 DIAB CCOc1cc(C=O)cc(Br)c1OCC=C(C)C 35219878 KZAVBBLLNVFCHF-UHFFFAOYSA-N 313.191 4.005 0 40 DIAB CCOc1cccc(CNC(=S)Nc2ccc(C)c(C)c2)c1 44155675 YVGNBAVUKOJJKJ-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB COc1cccc(CC(=O)N[C@H](C)c2oc3ccccc3c2C)c1 46650850 XLMUMQXKIBKEBL-CQSZACIVSA-N 323.392 4.170 0 40 DIAB COc1ccc(-c2cc3c(SCC(C)C)nccn3n2)cc1 57510784 PMFXQDAPAWMZTJ-UHFFFAOYSA-N 313.426 4.153 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccccc2F)S1 71287039 DPQBYFGZGBLDNC-ZDUSSCGKSA-N 305.378 4.195 0 40 DIAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H]1c1ccc[nH]1 71818790 ORKUKNQXKFDPES-MBNYWOFBSA-N 314.351 4.047 0 40 DIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)s1 71908106 CDQOWQJOHBHSSB-GXFFZTMASA-N 318.269 4.304 0 40 DIAB Cc1cc([C@@H]2CCCN2CC(C)C)cnc1N1CCCCC1 72219163 VXJZUISPKOQRPL-SFHVURJKSA-N 301.478 4.173 0 40 DIAB CC(C)(C)n1nc(C(=O)OC2CCCCCC2)cc1C1CC1 84325554 JQAJFXRJXRZPMX-UHFFFAOYSA-N 304.434 4.395 0 40 DIAB CCCC[C@H](CC)CCNC1CCN(C(=O)c2ccoc2)CC1 89953324 CVDKEVGYQIJRAG-INIZCTEOSA-N 320.477 4.080 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccccc2F)C1 100984435 FYKVEPBIDVMZHD-YVEFUNNKSA-N 306.450 4.423 0 40 DIAB Cc1csc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 110626524 GOOLHHPGPUFJHJ-FUEDEBDSSA-N 302.443 4.409 0 40 DIAB Cc1nc2sccn2c1-c1nnc(-c2ccc(Cl)cc2)o1 216606816 RKEKUFACNTUHIX-UHFFFAOYSA-N 316.773 4.075 0 40 DIAB CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Cl)c1 216812954 XNQFKYFUIFZULD-UHFFFAOYSA-N 304.773 4.404 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1 223318029 VSVWFLFAUGODEC-QGZVFWFLSA-N 311.425 4.118 0 40 DIAB Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1C 223590677 CCYHTUIFKYMLNV-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC(C)(C)CC(C)(C)C 224436447 TVMMMLOIZXAKKQ-MRXNPFEDSA-N 305.462 4.483 0 40 DIAB Cc1cccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225073175 BBYQFAPVZAMXCJ-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC(C)c1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1 225421271 SKWXSIIBMXPQOI-UHFFFAOYSA-N 323.440 4.372 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1)C1CC1 225670713 JUTOEVBOSUDHLB-GOSISDBHSA-N 305.418 4.008 0 40 DIAB CC(C)Oc1ccc(NC(=S)NC2(C)CCCCC2)cc1 225867484 NZENESYYWJTQGP-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc(C)c1Cl 250964302 WCBGIDMPHRTSPP-YXWQFLTLSA-N 321.848 4.029 0 40 DIAB CN1CCC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)C1 408731713 PHXWXURONCXHFY-OAQYLSRUSA-N 308.469 4.031 0 40 DIAB CCCCS[C@H](C)C(=O)Nc1ccccc1-c1ncco1 585125652 AHHKSAPUVIAFMA-GFCCVEGCSA-N 304.415 4.202 0 40 DIAB O=C(NCc1cc(-c2ccsc2)cs1)c1cccs1 1775969726 ILCNKCQVMSSTDC-UHFFFAOYSA-N 305.449 4.468 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCC1 93947 MEMKUTGUKSLWQN-UHFFFAOYSA-N 318.804 4.366 0 40 DIAB CC(=O)c1ccc(-c2ccc(N)c(C(=O)c3ccccc3)c2)cc1 282317 BIHJEBXHNIAOTI-UHFFFAOYSA-N 315.372 4.369 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2F)cc1 505751 XEBLYPJIQGHGQO-ZDUSSCGKSA-N 301.361 4.357 0 40 DIAB CCC(=O)c1cn(CCOc2ccccc2F)c2ccccc12 560720 BMUJXYAAYVLEBA-UHFFFAOYSA-N 311.356 4.452 0 40 DIAB CC(C(=O)Nc1ccccn1)(c1ccccc1)c1ccccc1 574280 PJTAYJOPEXSXNY-UHFFFAOYSA-N 302.377 4.026 0 40 DIAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1-c1ccccc1 3145741 DRBNSKYHTHVFHG-UHFFFAOYSA-N 316.335 4.192 0 40 DIAB CCCSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 3470338 ZEQUSVXKMNXSLM-UHFFFAOYSA-N 306.818 4.489 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1cccc3ccccc13)S[C@@H](C)C(=O)N2 6678442 PHKFKDARFLSTSJ-MEDUHNTESA-N 323.421 4.035 0 40 DIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(F)cc2F)c1 7209051 WZIVOOHAFLMJJS-UHFFFAOYSA-N 321.392 4.454 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl 7215068 LMSGMXQVRWMNHG-ZDUSSCGKSA-N 322.191 4.247 0 40 DIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1O2 9134952 DKJOTACLDTUAGA-UHFFFAOYSA-N 324.380 4.338 0 40 DIAB Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c(O)c1 9834585 ODXWVEZLLNVKEM-UHFFFAOYSA-N 308.381 4.143 0 40 DIAB CC1CCC(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1 12787904 NKOKEGZREKXKAF-UHFFFAOYSA-N 321.420 4.226 0 40 DIAB FC(F)(F)[C@H]1CCCN(c2ncnc3cc(Cl)ccc23)C1 12876641 CPYWFRREJPDHFL-VIFPVBQESA-N 315.726 4.062 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(Cl)c1 13994424 FQINDRSQSYWDGO-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(C)C 22558485 XVXAQPGBYNRICB-UHFFFAOYSA-N 321.424 4.361 0 40 DIAB O=C(NCc1cccs1)C1(c2cccc(Cl)c2)CCC1 25362857 AYDHFVRKHCPIDE-UHFFFAOYSA-N 305.830 4.140 0 40 DIAB CC(C)(C)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 30280436 OLTOWMYHGUNNBT-UHFFFAOYSA-N 315.388 4.067 0 40 DIAB Fc1cc(COc2cccc(-c3nnco3)c2)c2ncccc2c1 31611231 VIWSHNHAIYIEME-UHFFFAOYSA-N 321.311 4.003 0 40 DIAB Cc1cc2occ(CC(=O)NCCc3cccs3)c2cc1C 36712667 PKWVHPGIZOGKNQ-UHFFFAOYSA-N 313.422 4.013 0 40 DIAB NNc1nc2c(Br)cc(-c3ccccc3)cc2s1 40542443 UFLOYLPWCRSELR-UHFFFAOYSA-N 320.215 4.011 0 40 DIAB CN(C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57945277 WPRWLNGREONOHC-HNNXBMFYSA-N 323.223 4.235 0 40 DIAB C[C@H]1CN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 60599451 OGBJAPFKGXEUJT-HNNXBMFYSA-N 302.377 4.241 0 40 DIAB CCCC(C)(C)NC(=O)c1sc(Cc2ccccc2)nc1C 65041483 LEQGFCNSCLIETO-UHFFFAOYSA-N 316.470 4.351 0 40 DIAB CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2C)cc1 72282498 WVPAKCFBKZCABL-UHFFFAOYSA-N 317.776 4.251 0 40 DIAB O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccccc1 82087156 LKRJORGMWCRTQT-LLVKDONJSA-N 312.756 4.002 0 40 DIAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccncc1Cl 89575490 IPAFQCRMDIHUQF-UHFFFAOYSA-N 304.777 4.125 0 40 DIAB O=[S@@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1 95439184 BWWFSPNOKSKFGJ-JOCHJYFZSA-N 314.450 4.029 0 40 DIAB CC(C)CC(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116115 VYVIIZWBVONXJX-CQSZACIVSA-N 304.821 4.361 0 40 DIAB biogenic COc1ccc(NC(=O)c2nc(Cl)sc2C)cc1Cl 96231036 YRDRQQUGNSOIDA-UHFFFAOYSA-N 317.197 4.019 0 40 DIAB C[C@@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccc(-c2cccnc2)cc1 96447395 ZZZIYDDYQLELCB-ZRGWGRIASA-N 321.424 4.004 0 40 DIAB CCN(CC)C(=O)[C@H](Nc1ccc2c(c1)CCC2)c1ccccc1 98081232 HPSNYZOEAIUWIX-HXUWFJFHSA-N 322.452 4.197 0 40 DIAB CO[C@H](CNC(=O)Nc1ccccc1C)c1ccccc1Cl 130829429 GJDUHQARAXWTFP-MRXNPFEDSA-N 318.804 4.158 0 40 DIAB CC(C)(CC(=O)O)CC(=O)N(c1ccccc1)c1ccccc1 199414493 IGZVSEDQCRDYHK-UHFFFAOYSA-N 311.381 4.242 0 40 DIAB COc1cc(OC)cc(-c2nc3cc(C)cc(Cl)c3[nH]2)c1 216916393 WSTGASSTDHGFQP-UHFFFAOYSA-N 302.761 4.209 0 40 DIAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)c(C)c1 223573748 CIDUBPCBTIVPKK-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(C)cc1C 224606268 XGOBDBXHSGHBEI-DLBZAZTESA-N 305.462 4.403 0 40 DIAB Cc1cc(C)c(C(=O)N[C@@H](C)COc2ccccc2C)cc1C 225649850 RVMMBVDPHJINAL-KRWDZBQOSA-N 311.425 4.118 0 40 DIAB CCOc1ccc(NC(=O)c2cccc3ccccc23)c(N)c1 226299160 VKRFLTTUQWBAKY-UHFFFAOYSA-N 306.365 4.073 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CO)[C@@H](CC[C@H]12)C3 252463596 HHAMKMUMKLXDFQ-HOSJZOFRSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro CN(CCC1CCCCC1)C(=O)Cc1ccc(-n2cccc2)cc1 1544938493 WCIQUZFGNPVCBM-UHFFFAOYSA-N 324.468 4.449 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nccnc2c1 303147 MSALZLBZETXABG-UHFFFAOYSA-N 316.474 4.131 0 40 DIAB Cn1cccc1CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CC1 321324 HXGQSGZHKXOFED-UHFFFAOYSA-N 323.223 4.137 0 40 DIAB Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)C=C3 347950 PHOMDVJSRNFSJO-UHFFFAOYSA-N 324.376 4.470 0 40 DIAB O=c1ccc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl 1396506 CEOYOMVEWKDWMR-UHFFFAOYSA-N 322.113 4.222 0 40 DIAB C[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1 2020010 GDDYCOSWVJRUHM-LLVKDONJSA-N 315.244 4.196 0 40 DIAB in-man Cc1ccc(C(NC(=O)N2CCCC2)=C(Cl)Cl)cc1F 3188194 DZDODQGEKSZLJY-UHFFFAOYSA-N 317.191 4.043 0 40 DIAB C[C@@H]1CC[C@@](C)(C(=O)COC(=O)CCc2ccccc2)C1(C)C 3846181 MNRYYNBFZMOGDH-QRWLVFNGSA-N 316.441 4.194 0 40 DIAB biogenic C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4023051 XWALNWXLMVGSFR-MILMJNAHSA-N 300.442 4.045 0 40 DIAB biogenic CC[C@H](C(=O)NCc1ccc2c(c1)cc(C)n2C)c1ccccc1 4061566 PDXJGNMXYQMLKI-IBGZPJMESA-N 320.436 4.297 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)NCCC1=CCCCC1 6200447 ADTUZQIGBBDERI-UHFFFAOYSA-N 310.397 4.270 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1 6287927 IKYDQSCUSJRTEP-QNCMIEPLSA-N 303.764 4.370 0 40 DIAB Cc1ccc2oc(C(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 6811206 HDISKGLTWGIILH-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC[C@@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524698 SCKAFJMISVPZKW-ZDUSSCGKSA-N 314.212 4.114 0 40 DIAB Cc1nn2c(nc(NC3CCCC3)c3ccccc32)c1Cl 7736627 DVAKOQUHAVJKCI-UHFFFAOYSA-N 300.793 4.199 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccn3)n2)c(C)c1 7796194 JBRYRFAMQVJGMK-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB O=C(NCc1ccccc1F)c1cc2c(F)cccc2s1 8331271 MOTXDNPQGFIWHP-UHFFFAOYSA-N 303.333 4.110 0 40 DIAB Clc1cc2c(c(CSc3nccn3C3CC3)c1)OCOC2 11893153 AEOBGNVNPIIAGV-UHFFFAOYSA-N 322.817 4.030 0 40 DIAB CCc1ccc([C@H](CNc2nc3ccccc3o2)N(C)C)cc1 12973137 UPPZUYFBQORQTJ-KRWDZBQOSA-N 309.413 4.105 0 40 DIAB Cc1c2occ(C(C)(C)C)c2cc2c3c(/c(=N/N)oc12)CCCC3 13624021 ZTSAXRUHDMKAOZ-QOCHGBHMSA-N 324.424 4.438 0 40 DIAB Cc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1C 16301213 FXGKYUQGYSKAOJ-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCC1=CCCCC1 20488357 NUFSSUJITYBSEY-QGZVFWFLSA-N 301.430 4.159 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 24872470 AIVXVSBJAVRGRH-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1 26203781 MHOCZJKHOPSOMM-QFBILLFUSA-N 311.425 4.338 0 40 DIAB Cc1ccc([C@H](NC(=O)NCc2ccccc2F)C2CC2)cc1 31725724 PPZOQBFXIJXDCV-SFHVURJKSA-N 312.388 4.085 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2c1C 32975208 BCUUHPNVZCJQEP-LBPRGKRZSA-N 304.393 4.376 0 40 DIAB Cc1ccccc1COc1ccc(/C=C/C(=O)O)cc1Cl 43490692 QZINYSIXEOQOPW-VQHVLOKHSA-N 302.757 4.325 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2C1=Cc2ccccc2OC1 49546254 QXRBAAQHGGPWMZ-AWEZNQCLSA-N 323.396 4.189 0 40 DIAB CCN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 66191605 AZKKNKIOVUNIJJ-UHFFFAOYSA-N 323.223 4.458 0 40 DIAB CC(C)Oc1cc(C(=O)NCCc2ccccc2)cc2occc12 72240209 JYIZRDJZWIEUDS-UHFFFAOYSA-N 323.392 4.193 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363619 WLQOPAUMPGYQCV-WAXPSYRMSA-N 323.477 4.156 0 40 DIAB biogenic C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118933371 XAECMTJMUAHJFL-CZPVDLIWSA-N 306.490 4.141 0 40 DIAB CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@H]12 118935540 YMRXPTYHXAWRHM-YJWDZELQSA-N 320.517 4.387 0 40 DIAB Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cc1 195559079 JYEZWNRBSFZXSL-FQEVSTJZSA-N 307.846 4.139 0 40 DIAB Cc1cc(O[C@H](Cc2cccc(C)c2C)C(=O)O)ccc1Cl 225022810 YYJQLTAUBFXHQU-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1ccc(S[C@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225035033 BCUQPPASHNMWMF-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB Cc1cccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1 225358796 KYYUVRIGFMPRDA-UHFFFAOYSA-N 311.381 4.045 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)nn2)cc1 408528565 JDIVSDKOTQYGQW-UHFFFAOYSA-N 324.767 4.325 0 40 DIAB O=C(NCCc1ccc(-c2ccsc2)s1)[C@@H]1CC=CCC1 575414085 RCUUGWRRGPTCQM-CYBMUJFWSA-N 317.479 4.492 0 40 DIAB OCc1cc(-c2ccccc2)nc2ccc(C(F)(F)F)cc12 685936812 APPIPDGRYHSHSV-UHFFFAOYSA-N 303.283 4.413 0 40 DIAB CN1C=CC=CC1=CC=C1C=Nc2ccc(Br)cc21 2038297412 NZVQHCKHTZVNNJ-UHFFFAOYSA-N 313.198 4.448 0 40 DIAB COc1ccc2oc(C)c(C(=O)c3oc4ccccc4c3N)c2c1 98447 RNWJSTOLPDEQEM-UHFFFAOYSA-N 321.332 4.309 0 40 DIAB Cc1cc2nnc(SCc3ccccc3)n2c2ccccc12 137250 SXAPJUYHBRCTOQ-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB COc1ccc(OC)c(Nc2cc(C)nc3ccc(OC)cc23)c1 303360 TUQFIUDZLRGLLL-UHFFFAOYSA-N 324.380 4.313 0 40 DIAB CN(C)c1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1 417910 GPFBQDICZNKCCR-UHFFFAOYSA-N 320.440 4.422 0 40 DIAB Cc1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 851844 YVHYOAVCZAADHI-UHFFFAOYSA-N 316.360 4.266 0 40 DIAB CCCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C)c1C 2091073 XJPAAWAKNRGCRO-UHFFFAOYSA-N 323.458 4.451 0 40 DIAB C[C@]12CNC[C@](C)(CN(C(c3ccccc3)c3ccccc3)C1)C2 2273643 SJMBNLLHJPEHNV-SZPZYZBQSA-N 320.480 4.098 0 40 DIAB CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O 2582926 BGXDBARGFUXUJF-UHFFFAOYSA-N 306.145 4.039 0 40 DIAB O=C(CN1CCCCCC1)Nc1cccc(Oc2ccccc2)c1 3289365 RAOMTSRZZOOOCO-UHFFFAOYSA-N 324.424 4.293 0 40 DIAB Cc1cc2oc(=O)cc(CN[C@H]3CCCC[C@@H]3C)c2cc1Cl 6552422 KFVKPVKLMZZWSZ-ZBEGNZNMSA-N 319.832 4.423 0 40 DIAB CC(=O)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 7656371 AJOVWCKNGYXWDX-UHFFFAOYSA-N 309.148 4.415 0 40 DIAB O=C(NCc1ccccc1F)c1cc(C2CC2)nc2ccccc12 8231913 UYLSWBWAMXAJJS-UHFFFAOYSA-N 320.367 4.181 0 40 DIAB Cc1ccc2[nH]c(SCC(=O)c3c(F)cccc3F)nc2c1 12556872 OYTKIZUAPDGCGF-UHFFFAOYSA-N 318.348 4.125 0 40 DIAB O=C(NCc1ccco1)c1cc2c(s1)-c1ccccc1CC2 12798747 ORZJYEZORBVDMG-UHFFFAOYSA-N 309.390 4.037 0 40 DIAB Cc1ccc([C@@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131639 QGEWRBICYGEBOT-ZWKOTPCHSA-N 304.397 4.041 0 40 DIAB Clc1cnc2nc(SC/C=C/c3ccccc3)[nH]c2c1 13865210 ZTBKYDIQFSHMOR-QPJJXVBHSA-N 301.802 4.417 0 40 DIAB Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1 14164094 DJYIFPCXYGTYIJ-UHFFFAOYSA-N 308.362 4.220 0 40 DIAB Clc1ccc2nc(CN3CCC[C@H]3c3cccs3)cn2c1 16340752 INAALWVKNRBORS-AWEZNQCLSA-N 317.845 4.386 0 40 DIAB O=S(=O)([C@H](c1ccccc1)C1CCCCC1)N1CCCCC1 16931926 KJDQONAHVBFISM-GOSISDBHSA-N 321.486 4.124 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NCCC1=CCCCC1 20488359 NUFSSUJITYBSEY-KRWDZBQOSA-N 301.430 4.159 0 40 DIAB C[C@@H](NC(=O)C1CCCCC1)c1cccc(Br)c1 22251154 JZDKWMWAJVIBJE-LLVKDONJSA-N 310.235 4.207 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccn3)nc12 25129839 GJGYUAOZNONUBG-UHFFFAOYSA-N 317.801 4.214 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1F 32795236 FPCRRPDOHUKJHQ-VXGBXAGGSA-N 321.779 4.124 0 40 DIAB CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccc(C)cc1 35622465 PWUIIFDJFXWOFU-IBGZPJMESA-N 321.428 4.016 0 40 DIAB O=C(Nc1cccc(Cl)c1F)N[C@@H]1CCOc2ccccc21 40023900 PZMKKJFNZGDNJD-GFCCVEGCSA-N 320.751 4.124 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 40097611 IKSJNKBGNVIBLD-MRVPVSSYSA-N 312.266 4.126 0 40 DIAB O=C(O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 40447878 QVROWMICPJBKTJ-UHFFFAOYSA-N 317.650 4.244 0 40 DIAB CCN(C(=O)CN1CCC[C@@H]1c1ccccc1C)c1ccccc1 48353972 NSYFHNRPUKBONW-HXUWFJFHSA-N 322.452 4.185 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NCc1ccccc1 58131386 FHIHRBGMROQCIZ-JKSUJKDBSA-N 310.441 4.317 0 40 DIAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72213405 HUTITWSVNHJLQT-CRAIPNDOSA-N 323.440 4.269 0 40 DIAB Cc1nc(Cl)ccc1[C@H]1CCCN1C(=O)c1ccccc1 72217908 KMVJEEHHQFDEGN-OAHLLOKOSA-N 300.789 4.021 0 40 DIAB Cc1nc(SCc2nc3ccccc3[nH]2)n(CC(C)C)c1C 84051875 BYZWHRAOLOAIMW-UHFFFAOYSA-N 314.458 4.325 0 40 DIAB CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 85398410 RANXKVQMYZVPHC-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB COc1cc(C(=O)c2ccc(OC(C)(C)C)cc2)ccc1F 95916095 CXYJQLGNHBYCET-UHFFFAOYSA-N 302.345 4.243 0 40 DIAB CCc1ccc(N2Cc3nc4ccccc4c(C)c3C2=O)cc1 96026320 RNAOBQMUDIHFKX-UHFFFAOYSA-N 302.377 4.266 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2CCCN3CCCC[C@H]23)C1 102454270 BMRXTFOKVYWSJF-PNYFIKQUSA-N 304.522 4.152 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105363621 WLQOPAUMPGYQCV-CNMWIUBYSA-N 323.477 4.156 0 40 DIAB biogenic C[C@@H](CCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 178570118 QZRXRMVBISZCCZ-DZGCQCFKSA-N 313.363 4.371 0 40 DIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(C)c3)N21 222640410 RAINCGWTVZYUAZ-RYQLBKOJSA-N 323.465 4.369 0 40 DIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3C)N21 222640689 ZYDSTRKZULHDRE-JCGIZDLHSA-N 323.465 4.369 0 40 DIAB CCCCCNC(=O)c1ccc(OCC)c(COCCCC)c1 224731074 XKFSNJDPZSXCER-UHFFFAOYSA-N 321.461 4.322 0 40 DIAB CCc1ccccc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225040383 JGVQEYYVLPPUCJ-LJQANCHMSA-N 312.409 4.447 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225623830 ZPMZRAKZMXHEGN-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225639692 FBNVVTIATGFKMK-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB Cc1nc([C@H]2CCCCN2Cc2ccccc2)c2sccn12 257302399 SCUHFIISFIPKKW-MRXNPFEDSA-N 311.454 4.431 0 40 DIAB O=C(NCCc1ccc(-c2ccco2)s1)c1cccs1 2086896713 SIEDLLJPCMNMCX-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)CCc3ccccc3)s2)cc1 314249 NKAPGFBVYYBDJW-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB O=c1cc(-c2cccc(Br)c2)oc2ccc(F)cc12 2243272 VMNYVCMDPUOQEL-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB biogenic CCCCCn1c([C@H](C)NC(=O)C(C)(C)C)nc2ccccc21 2460881 ZVWXLLBNJBBWOE-AWEZNQCLSA-N 315.461 4.450 0 40 DIAB C[C@@H](Oc1ccccc1)c1ccnn1C(=O)Nc1ccccc1 3017449 CVYZCDZOISYKJO-CQSZACIVSA-N 307.353 4.103 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccc(OC(F)F)cc1 3517019 YHQMBRROXOLPSD-UHFFFAOYSA-N 320.320 4.150 0 40 DIAB CSc1ccccc1OC1CCN(Cc2ccccc2)CC1 4146631 JTFWJZSDIREVFS-UHFFFAOYSA-N 313.466 4.452 0 40 DIAB Cc1nc(Nc2ccc3c(c2)OCO3)c2oc3ccccc3c2n1 5150096 GLWNPMWWZHZFAH-UHFFFAOYSA-N 319.320 4.157 0 40 DIAB CCN(Cc1ccccc1)C(=O)c1[nH]c2ccc(OC)cc2c1C 5347245 SPVHTCBQULAPEV-UHFFFAOYSA-N 322.408 4.147 0 40 DIAB C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 7094122 UIOUSYJTLWKTSY-CYBMUJFWSA-N 319.857 4.451 0 40 DIAB CC(C)C(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 8209560 VURPCYFYLCPAID-UHFFFAOYSA-N 323.421 4.467 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)COc1cccc2ccccc12 8325096 IIGXBVLYASEUQM-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C 8499614 CCFDOXHLSXLKLT-OAHLLOKOSA-N 311.853 4.294 0 40 DIAB O=C(OCc1cc(-c2ccccc2)on1)c1cc2ccccc2o1 8501312 VFDCRLYMFFEIRB-UHFFFAOYSA-N 319.316 4.445 0 40 DIAB Sc1nnc(Cc2ccccc2)n1-c1cccc2ccccc12 8687005 LUHPSDBTHKIKDB-UHFFFAOYSA-N 317.417 4.300 0 40 DIAB O=C(NCc1ccccc1)N[C@H](c1ccc(Cl)cc1)C1CC1 9961277 UHHCUQVAVRQKKA-KRWDZBQOSA-N 314.816 4.291 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1 10313798 OURWFFUINJHEHS-UHFFFAOYSA-N 314.816 4.188 0 40 DIAB CC(C)c1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12594367 SYOAOCQHAXZQJT-LBPRGKRZSA-N 317.820 4.298 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1F 12791586 SWJGZXAAYCWSBS-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CC1(C(=O)O)CCCCC1 13250337 CNGPXXGPMRUGGV-UHFFFAOYSA-N 309.793 4.012 0 40 DIAB C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C1 13670336 PIWBJWCOJMBPNB-LSDHHAIUSA-N 303.446 4.010 0 40 DIAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(C)C)cc1 13946377 CVJQOLXWXFEAGM-UHFFFAOYSA-N 311.491 4.113 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccco1 14140234 ASFVOYBRRGVLOM-LLVKDONJSA-N 312.394 4.203 0 40 DIAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 16484076 POOAHZISMLXHCJ-CYBMUJFWSA-N 303.402 4.104 0 40 DIAB Cc1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccn12 19240674 VOQCPYXNEWOBFE-KRWDZBQOSA-N 323.415 4.161 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 20110478 GVFPGUUUBQGZNX-GOEBONIOSA-N 309.409 4.049 0 40 DIAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 21962277 CFETYKHQAZZTQJ-CQSZACIVSA-N 317.820 4.135 0 40 DIAB Cc1cccc(NC(=O)c2cccnc2NCc2ccccc2)c1 22072431 TYNULKXWJJEYGN-UHFFFAOYSA-N 317.392 4.254 0 40 DIAB COc1ccc(C)cc1NC(=O)CCc1ccccc1Cl 24860444 NDVLUQBJJMCAOC-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CCC(CC)C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27741426 ZQCUJOPBAIQSMF-MRXNPFEDSA-N 322.518 4.218 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1F 28210897 PZEKDHIHZQHHMY-UHFFFAOYSA-N 303.642 4.149 0 40 DIAB COc1cccc2cc([C@@H](C)NCc3csc(C)n3)oc12 28926038 YTKNNPCLFFVKGF-SNVBAGLBSA-N 302.399 4.057 0 40 DIAB OCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 35662589 CAQFSGUYXKVKRU-UHFFFAOYSA-N 301.144 4.204 0 40 DIAB CC[C@@H](C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 38753928 XKQSXMPDLWZWPO-SECBINFHSA-N 306.258 4.141 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 40081590 DNHCYFZEALXJDF-UHFFFAOYSA-N 306.365 4.195 0 40 DIAB CCc1ccccc1NCc1ccc(O)c(Br)c1 59693321 SFFBHQSEAAUULJ-UHFFFAOYSA-N 306.203 4.329 0 40 DIAB O=C(Nc1ccccc1OCc1cscn1)C1CCCCC1 65595698 QUZBZMXTAGVBKH-UHFFFAOYSA-N 316.426 4.241 0 40 DIAB O=C(Nc1cccc(Br)c1)OCc1ccccc1 90636097 RKTXDGRJOLJFAG-UHFFFAOYSA-N 306.159 4.198 0 40 DIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)C)s1 95116315 MVFOPZQNIFQEFT-GFCCVEGCSA-N 303.431 4.065 0 40 DIAB Cc1cccc([C@@H](C)NCc2ccc(Cn3ccnc3)cc2)c1 95420169 AUXJVKYNUGPLBY-QGZVFWFLSA-N 305.425 4.091 0 40 DIAB CCC1(CC)OC(=S)Nc2ccc(Br)cc21 95869799 LXCLQMTXQUIIGF-UHFFFAOYSA-N 300.221 4.191 0 40 DIAB CSc1ccccc1N(C)C(=O)c1c(F)cc(F)cc1F 95971633 LOCSSYRYYMSPMA-UHFFFAOYSA-N 311.328 4.102 0 40 DIAB Cc1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)sn1 96452817 BIIXITGFJHAEBX-LBPRGKRZSA-N 305.403 4.194 0 40 DIAB CCN(CC)C(=O)[C@H](Nc1ccc(C)c(F)c1)c1ccccc1 98081195 WIUOLKYMVKGUAM-GOSISDBHSA-N 314.404 4.156 0 40 DIAB COc1ccc(C(=O)CCc2ccnc3ccccc23)cc1OC 199729343 VBNJMTUBMSRIBU-UHFFFAOYSA-N 321.376 4.068 0 40 DIAB COc1cccc(NC(=O)Cc2cn(C(C)C)c3ccccc23)c1 334161271 XUMLDTQYTJKJBT-UHFFFAOYSA-N 322.408 4.412 0 40 DIAB Cc1cccc(C)c1OCCn1c(C(=O)O)cc2c(C)cccc21 585267033 FZBWYXSJOKMRME-UHFFFAOYSA-N 323.392 4.344 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 364865 YTAWFBDTAWPLPI-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1ccco1 542714 SABREFHAUGYDOQ-JARZOMNASA-N 308.381 4.147 0 40 DIAB O=C(NCc1ccco1)c1ccccc1Nc1ccc(F)cc1 3406694 MXKAGYIHAJSITD-UHFFFAOYSA-N 310.328 4.092 0 40 DIAB CCCCC(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479427 ODKSLYBWMRWBDA-UHFFFAOYSA-N 314.172 4.172 0 40 DIAB O=C(Nc1ccc2ccccc2c1)c1ccc2snnc2c1 4739875 ADUSKRZYEMMLQS-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB Cc1nc(N[C@H](C)c2ccncc2)c2c3c(sc2n1)CCC3 8707362 DPDBQNGMPPLGKN-SNVBAGLBSA-N 310.426 4.057 0 40 DIAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 9733026 QHKVIUVGCBJMCQ-DNVCBOLYSA-N 323.436 4.383 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccccn1 12554305 LXFDLXGTHZJFHC-SFHVURJKSA-N 321.355 4.132 0 40 DIAB CCOc1ccccc1NC(=O)c1cn(CC)c2ccccc12 12607126 XXZJFZIFHFUDKF-UHFFFAOYSA-N 308.381 4.312 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1F 12799783 OFIOOAQZVHOXJZ-INIZCTEOSA-N 321.754 4.499 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 15315429 GFOKLDQNOZOHGQ-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(F)c1 15414761 IWZKTWPGBOCASD-UHFFFAOYSA-N 311.765 4.142 0 40 DIAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)SC1 20730560 IFHPNIURUZTACL-LLVKDONJSA-N 314.197 4.141 0 40 DIAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)s1 25538591 QCTPANKMKPFWPN-CQSZACIVSA-N 317.385 4.067 0 40 DIAB C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 32037806 AXYSDGLHTLZLQI-LDWIPMOCSA-N 312.649 4.163 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 32522170 JBURVMJEVPLEND-JKSUJKDBSA-N 313.466 4.396 0 40 DIAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]1c1ccccc1 32904118 YCAHKEXYSFJLJM-HNNXBMFYSA-N 301.773 4.023 0 40 DIAB CC(C)[C@H](C)NC(=O)Nc1ccc(Br)cc1Cl 40023884 GGGZZVJXCWYQLS-QMMMGPOBSA-N 319.630 4.269 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)[C@@H]2CCc3ccccc32)o1 40049955 BQBXYKODNSRTEO-MDASCCDHSA-N 323.436 4.482 0 40 DIAB CCOc1ccc(-c2nc(N)cc(Nc3ccccc3F)n2)cc1 49468038 VAXBKYZMFOYFKN-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB Cc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547845 LYLHZVRSAISWJP-GDNBJRDFSA-N 310.378 4.089 0 40 DIAB CCOc1ccc(CNC(=O)CCC2CCCCC2)cc1OC 58775870 QZIAIYPZARVECD-UHFFFAOYSA-N 319.445 4.071 0 40 DIAB CCOC(=O)c1cc(C(F)(F)F)c2cc(Cl)ccc2n1 63120233 MLUQDYXYTIQLLY-UHFFFAOYSA-N 303.667 4.084 0 40 DIAB Cc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1 65584830 BYKOIVQEEHPHIX-UHFFFAOYSA-N 317.801 4.386 0 40 DIAB Cc1ccccc1CC(=O)O[C@@H](c1ccccc1)c1ccccn1 71834001 AKGJLVSFQRHZDA-NRFANRHFSA-N 317.388 4.265 0 40 DIAB CC[C@@H](Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 71909502 PCSWONIUOLMVAY-OAQYLSRUSA-N 324.468 4.207 0 40 DIAB Cc1nnc([C@H](C)N[C@H](C)c2ccc(OCCC(C)C)cc2)o1 79030412 RVSDEOOOJFNYBF-KGLIPLIRSA-N 317.433 4.215 0 40 DIAB Clc1ccc(CN(Cc2cnoc2C2CC2)C2CC2)cc1 89787573 KOWCVWGWPKOUOX-UHFFFAOYSA-N 302.805 4.370 0 40 DIAB Cc1nnc(CS[C@@H](C)c2ccccc2Br)o1 95412903 JCMOKHYEVJKCKN-QMMMGPOBSA-N 313.220 4.135 0 40 DIAB Cc1nc(CN(C)C(=O)Nc2ccccc2C(C)(C)C)cs1 96134104 ASYKBZJNACPKNX-UHFFFAOYSA-N 317.458 4.413 0 40 DIAB CCN[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935689 ULMJJEKBONMJLW-YUDLKVPISA-N 317.517 4.288 0 40 DIAB Cc1ncc([C@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)c(C)n1 152104487 ZSKAGJQJIUNGLO-VOJFVSQTSA-N 317.383 4.174 0 40 DIAB CC(C)(C)C(=O)Nc1c(Cl)ccc(C(F)(F)F)c1C=O 199570771 LCECIDNUUNROCA-UHFFFAOYSA-N 307.699 4.156 0 40 DIAB Cc1ccc(CC(=O)NCCCc2ccc(C(C)C)cc2)cc1 219275469 QKLWSZBCWKAUQK-UHFFFAOYSA-N 309.453 4.410 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1cccc(C)c1 224436942 OSHPFWNBNRFQHA-AEFFLSMTSA-N 305.462 4.485 0 40 DIAB Cc1ccccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225358741 QVTRODKDVXKCRK-UHFFFAOYSA-N 311.381 4.045 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1C 225626884 VNGLSOCBESHZBS-AWEZNQCLSA-N 305.418 4.070 0 40 DIAB CCOC(C)(C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225648604 BUJHWQBKOPEXSA-CQSZACIVSA-N 307.434 4.234 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1)C1CC1 225670914 QALJHLOSIBCDMV-AUUYWEPGSA-N 319.445 4.398 0 40 DIAB CCCN(CCC)S(=O)(=O)c1cc(C)c(Cl)cc1Cl 231422993 KRWLWEDHWWTRMT-UHFFFAOYSA-N 324.273 4.113 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@H]12 253617480 OTTDRBNUMLADAX-JLKKSOIJSA-N 304.474 4.205 0 40 DIAB COc1cc(C(=O)CCCCBr)ccc1Cl 394525430 SHMLCHWJAXBANP-UHFFFAOYSA-N 305.599 4.097 0 40 DIAB COC1CCC(=C([O])c2ccc3nc4c(cc3c2)CCCO4)CC1 1560406126 XQAAGUQBTOONOQ-UHFFFAOYSA-N 324.400 4.290 0 40 DIAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1 72532 NWYYCFCJPSVIQI-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB Fc1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 240179 RXLIFGJZADVLII-MRXNPFEDSA-N 315.417 4.145 0 40 DIAB C[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 519988 OXWFTMXZJCILRG-AWEZNQCLSA-N 304.397 4.071 0 40 DIAB O=c1cc(CSc2nc3ccccc3s2)c2ccccc2[nH]1 1069458 ZXKGWOIRZUHYOQ-UHFFFAOYSA-N 324.430 4.430 0 40 DIAB CCOC(=O)OC(=S)N(C1CCCCC1)C1CCCCC1 1706857 QYIHLHUSBBADSL-UHFFFAOYSA-N 313.463 4.412 0 40 DIAB CCCOc1ccccc1NC(=O)/C=C/c1ccccc1OC 1810876 BQNINVMLYPMJGT-OUKQBFOZSA-N 311.381 4.136 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CCC1 2515627 CUAGCTCEROURAL-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB CCOCCCNCc1ccc2c(c1)c1ccccc1n2CC 4942793 KNXODBXLRVSLQW-UHFFFAOYSA-N 310.441 4.331 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Nc1cn(C)c2ccccc12 5265729 CTWQZSDMFPQHHH-OAHLLOKOSA-N 321.424 4.321 0 40 DIAB CC(C)(C)C1CCC(C(=O)Nc2cccc(C(=O)O)c2)CC1 5900935 VKCOAMSSDYELOT-UHFFFAOYSA-N 303.402 4.176 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1cc(Cl)c(O)c(Cl)c1 6787031 UJQZKSXBESOEFN-UHFFFAOYSA-N 318.106 4.230 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12 6965049 AXZMZQUHLOVRRV-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB C#CCn1cc(/C=C/C(=O)c2ccc(OC)cc2)c2ccccc21 7375590 HAGBAZGKCWRZKS-JLHYYAGUSA-N 315.372 4.179 0 40 DIAB COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)cc1 7641243 RQFPDBYOUMWXDR-CYBMUJFWSA-N 314.410 4.114 0 40 DIAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)o1 7990386 TYNRJYZRCJZIAU-SFHVURJKSA-N 305.377 4.302 0 40 DIAB CN(CC(=O)Nc1ccc(F)cc1)Cc1ccc2ccccc2c1 8127433 IBOMXWNHKPBOGQ-UHFFFAOYSA-N 322.383 4.049 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1ccc(C)cc1 8550130 BULCKXVXVXYJEM-UHFFFAOYSA-N 313.441 4.328 0 40 DIAB O=C(O)[C@H](Sc1ccc(Br)cc1)c1ccccc1 11823490 FLQQKZNEPRVZNM-CYBMUJFWSA-N 323.211 4.367 0 40 DIAB Cc1cccnc1NC(=O)c1ccc(COc2ccccc2)cc1 12523057 SWZMYJFIIWFXDA-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc3cccnc23)c(C)c1 12773025 YMOLDPCKGXJKIQ-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB COc1ccc(C)cc1NC(=O)CCOc1cc(C)cc(C)c1 13019932 XHSTZEWFQNDOMT-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB Cc1ccc(CNCc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 13730396 MNHXOZOJXUHQTR-UHFFFAOYSA-N 321.376 4.243 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc3cccnc23)cc1C 15835432 OBDIWGMGHHQBOY-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2cc(F)ccc2F)on1 19120224 LKTNTEDFGNGMEE-MRXNPFEDSA-N 306.356 4.379 0 40 DIAB C[C@H]1CCC[C@@H](N2CCN(C3C4CC5CC(C4)CC3C5)CC2)C1 19156869 IJNUPCMESUBVMN-XDSQKNPHSA-N 316.533 4.007 0 40 DIAB COc1ccc([C@H](NC(=O)CCc2ccccc2)C(C)C)cc1 19310798 CTLDDLXHUPVDJQ-HXUWFJFHSA-N 311.425 4.141 0 40 DIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1CC12CCC2 19349641 XEKNLZDQTJNQPJ-ZDUSSCGKSA-N 316.401 4.002 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 19736442 MUACEZBKLZOOBG-UHFFFAOYSA-N 318.804 4.063 0 40 DIAB COc1ccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)cc1 19927245 DHIIPGJCYKLXCY-GOSISDBHSA-N 313.422 4.091 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F 20106698 ORQAPVIOHYIGEG-LBPRGKRZSA-N 319.351 4.494 0 40 DIAB CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)cc1 20538239 JGRWZFQCJZXSCS-LBPRGKRZSA-N 302.349 4.107 0 40 DIAB Cc1cccc2sc(NC(=O)c3cccc4ncccc34)nc12 22241313 KGASCSGJTJHAAX-UHFFFAOYSA-N 319.389 4.405 0 40 DIAB Cc1ccc(CN(C)C(=O)CCSCc2ccccc2)cc1 30853193 IDQXXERLHWBSAA-UHFFFAOYSA-N 313.466 4.277 0 40 DIAB Cc1nc(NC(=O)CCOCC(C)C)sc1-c1ccccc1 31757280 JADQGWYQNQDGRC-UHFFFAOYSA-N 318.442 4.120 0 40 DIAB Cc1nn(C)c(C)c1NC(=O)c1cc2c(s1)CCCCCC2 32675837 PVWXUECUMPKUGL-UHFFFAOYSA-N 317.458 4.010 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 32904272 RSDDQAPQUPYEKB-UHFFFAOYSA-N 316.426 4.293 0 40 DIAB COc1cc2c(cc1/N=c1\ccccn1C)oc1ccccc12 32912542 AWYMZAHZYZIULN-FMQUCBEESA-N 304.349 4.166 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)C2CCC2)n1 32986011 PYZAKLBRYRHLBT-UHFFFAOYSA-N 311.410 4.338 0 40 DIAB Nc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351556 HHPXLNCSVHPDMO-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB CN(Cc1noc(C2CC2)n1)C1CCC(c2ccccc2)CC1 64798526 QJUBCKGZTVVINB-UHFFFAOYSA-N 311.429 4.105 0 40 DIAB Cc1ccnc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)c1 71195356 RRXGVBYINHXNLZ-UHFFFAOYSA-N 310.353 4.176 0 40 DIAB CCSc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72217128 IRDSLQQRCGAYSJ-INIZCTEOSA-N 312.438 4.171 0 40 DIAB O=C(c1cc(-c2ccco2)cs1)N1CCc2ccccc2C1 72259964 COTKTNBTPLNRIS-UHFFFAOYSA-N 309.390 4.207 0 40 DIAB Cc1ccc2sc(Br)nc2c1Br 95950041 SMSFHFGXGIMNRP-UHFFFAOYSA-N 307.010 4.130 0 40 DIAB Cc1cccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)c1C 96472900 SFYCDONKKUHZKF-UHFFFAOYSA-N 317.392 4.037 0 40 DIAB Cc1ccc(NC(=O)CC[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 103212909 FCOGMMQNZJTDOD-JXXFODFXSA-N 313.441 4.355 0 40 DIAB CCCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)c(N)c1 225426504 OKFMGFJEHXHHIP-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccccc1 253473730 XULKSIZPQGHCGO-AYJWMTRPSA-N 305.377 4.193 0 40 DIAB C[C@H](NC[C@@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl 585118324 KKMSTLVSZCSZFC-IUCAKERBSA-N 324.799 4.158 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 35970 HBXTWSAQJYPCGH-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccccc2)o1 386077 HIPPCUVOAYFDNA-VIFPVBQESA-N 301.198 4.023 0 40 DIAB COc1cccc(CSc2nnc(-c3ccccc3F)o2)c1 415754 YHUWOTWVFBEPLF-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1ccc(Cl)cc1 1463109 IROUKFIZSHWVTG-UHFFFAOYSA-N 303.770 4.307 0 40 DIAB CCCCN1C(=O)N(c2ccccc2Cl)[C@](C)(O)CC1(C)C 2272311 MFMFJCMBQSSMDO-QGZVFWFLSA-N 324.852 4.259 0 40 DIAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 2625479 IPNRVDFOJVDBNN-VIFPVBQESA-N 312.847 4.224 0 40 DIAB O=C(CCCOc1ccccc1)N[C@@H]1CCCc2ccccc21 3358468 IREMGPLXOCXKEQ-LJQANCHMSA-N 309.409 4.039 0 40 DIAB CSc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 3548722 CQKUVMPVVQGLFM-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1F 5676302 JZEXRQVPKANXQN-UHFFFAOYSA-N 305.324 4.106 0 40 DIAB Cc1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1 7281501 PWAIYGNMAZCKKT-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1C 7596004 KMKHJNSXMYUQSV-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB Brc1ccc(Oc2ncnc3sccc23)cc1 8080194 SXVDOKLGARPKAL-UHFFFAOYSA-N 307.172 4.246 0 40 DIAB Cc1occc1-c1nnc(SCc2nc3ccccc3o2)o1 8131399 DNGZNYULOIRFPV-UHFFFAOYSA-N 313.338 4.072 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1ccccc1Cl 8642186 LSHFLRQQOZHBNO-JNCCTMNUSA-N 309.752 4.350 0 40 DIAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c(C)c1 10286653 BJEABHMZRLEOMF-UHFFFAOYSA-N 310.422 4.185 0 40 DIAB Cc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 11915801 NBSIWLXJIAXXPJ-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB CN(CC(=O)Nc1cccc2ccccc12)C1CCCCCC1 12876848 CUQHSBSQFAIXNL-UHFFFAOYSA-N 310.441 4.433 0 40 DIAB CCCCCNC(=O)N[C@H](c1ccccc1)c1cccs1 12909071 YGRIKKKHJBHJCJ-MRXNPFEDSA-N 302.443 4.327 0 40 DIAB C[C@H]1CN(C)[C@H](C)C[C@@]1(OC(=O)c1ccccc1)c1ccccc1 13126276 ADUJECNUNSENPU-FVJLSDCUSA-N 323.436 4.099 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 13668242 YLBGZMLDRLDUEK-HUUCEWRRSA-N 311.450 4.453 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 15357604 KNBGLICLPNHPDR-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB C[C@H]1c2ccsc2CCN1Cc1ccccc1-n1cccn1 19498373 BPDPMQKNXHJSLH-AWEZNQCLSA-N 309.438 4.053 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1 22996740 FMVRBGKTYNDPFK-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB O=C(CCOc1ccccc1)NC1CCC(c2ccccc2)CC1 25097859 ORYGSKANLIJFPJ-UHFFFAOYSA-N 323.436 4.298 0 40 DIAB Cc1cc2c(cc1C)C(NCc1ccc(F)cc1)=NC(C)(C)C2 26580647 GZOXRUZUICCHPF-UHFFFAOYSA-N 310.416 4.314 0 40 DIAB Cc1ccsc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 29235216 SQLUYGSPFNNWPY-UHFFFAOYSA-N 314.237 4.222 0 40 DIAB CC(C)c1nc2cc(NC(=O)c3ccc[nH]c3=S)ccc2o1 32830466 OFPIDQPXRYLNSE-UHFFFAOYSA-N 313.382 4.261 0 40 DIAB CC[C@@H]1c2ccsc2CCN1Cc1c(C)nc2sccn12 36741530 ZFYVTCIHGFIESM-CYBMUJFWSA-N 317.483 4.275 0 40 DIAB Cc1ccccc1NCc1n[nH]c(=S)n1-c1cccc(C)c1C 40163737 UMLXXWVTBAZYGL-UHFFFAOYSA-N 324.453 4.467 0 40 DIAB FC(F)(F)c1ccc(Nc2cnn(Cc3ccccc3)c2)nc1 69434589 IXDULRDKUDLMAZ-UHFFFAOYSA-N 318.302 4.089 0 40 DIAB O=C(CCn1ccc2ccc(F)cc21)Nc1cccc2[nH]ccc12 71287287 FPZNKJMIGIDAAL-UHFFFAOYSA-N 321.355 4.291 0 40 DIAB CC(C)Oc1cc(C(=O)NCc2ccccc2)cc2occc12 72240207 ISSRQSSGOJSSSO-UHFFFAOYSA-N 309.365 4.150 0 40 DIAB O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCCCC1 75490540 GODVFOOMQKMGIA-UHFFFAOYSA-N 309.196 4.168 0 40 DIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)NC[C@H]1CCOC1 78394998 XEJSWRBZZKFUSE-CYBMUJFWSA-N 322.474 4.044 0 40 DIAB Cc1ccc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1 79440762 ZVTJLNQGPJPPHP-CQSZACIVSA-N 322.474 4.272 0 40 DIAB Cc1nc(C(=O)Nc2ccccc2O)c(Cc2ccccc2)s1 95475301 WIORZFLCKIMNJV-UHFFFAOYSA-N 324.405 4.000 0 40 DIAB CC1=CC[C@@H]2CO[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]1C2 100310242 TZFCVBGVAMRQAM-TYPHKJRUSA-N 306.429 4.066 0 40 DIAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1C(F)(F)F 100449799 RPFUTUFNRZCWPB-PHIMTYICSA-N 314.303 4.169 0 40 DIAB CCOC[C@@H]1CCCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 107052900 LIRONJMOSQYXJR-HZPDHXFCSA-N 314.429 4.151 0 40 DIAB CCc1c(-c2cc(C)ccc2C)nn(Cc2ccccc2)c1N 199750166 JHYNAEFNQPECRS-UHFFFAOYSA-N 305.425 4.360 0 40 DIAB OCc1ccc(-c2cc(C(F)(F)F)ccc2Br)o1 216939714 JYZSCHHDTWOBPV-UHFFFAOYSA-N 321.092 4.220 0 40 DIAB Cc1cc(Cl)cnc1NC(=S)N[C@@H](C)c1ccccc1 223956413 VEZCTCIKSLZJBI-NSHDSACASA-N 305.834 4.091 0 40 DIAB Cc1ccc(OCCNC(=S)Nc2ccccc2)cc1Cl 224117268 OZRCJAQJCWMQFO-UHFFFAOYSA-N 320.845 4.014 0 40 DIAB CCOc1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1 225429340 WCJQESYIDDZGKN-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 225689814 KZHCSAJUTRBSCF-UHFFFAOYSA-N 307.315 4.449 0 40 DIAB CCO[C@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@H](C)C1 225717856 BTSHGIJZQJFGEV-ORAYPTAESA-N 319.445 4.236 0 40 DIAB CCC(CC)NC(=S)Nc1ccc(Br)c(C)c1 225800853 RRMGSYJNCGKALB-UHFFFAOYSA-N 315.280 4.233 0 40 DIAB Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225841225 IYIQQDLUKZAYPE-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB O=Cc1ccc(-c2ccc(C(=O)OCc3ccc(F)cc3)cc2)o1 409181509 CFWBHRKDBOFBBQ-UHFFFAOYSA-N 324.307 4.255 0 40 DIAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(N)c2n1 685938264 NWMKUYZRONQDHI-SNVBAGLBSA-N 309.335 4.215 0 40 DIAB COc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3c2)cc1 490067 FXJRFYSQDTZBAZ-UHFFFAOYSA-N 310.349 4.238 0 40 DIAB biogenic Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 577359 BNCHDLOQEPLFEV-UHFFFAOYSA-N 303.789 4.445 0 40 DIAB CCCCOc1ccc(/C=C/C(=O)N2CCCCCC2)cc1 1779298 IDXJNHODJBJKTC-JLHYYAGUSA-N 301.430 4.281 0 40 DIAB CC(C)(C)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 3068695 VDTQGSOCVMSPAJ-GHRIWEEISA-N 305.377 4.329 0 40 DIAB Cc1ccccc1-c1nnc(NC(=O)CCc2ccccc2)s1 4087699 FCCOLKZPWWBMSL-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CCOc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 5464826 DBRBZKHEVOYMPH-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccccc1 6470907 HHOUCWZKKAKPAP-INIZCTEOSA-N 313.466 4.057 0 40 DIAB O=C(NOCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 6927444 WETHRCIREBKYGR-UHFFFAOYSA-N 311.168 4.247 0 40 DIAB Cc1ccc(C)c(CSCC(=O)Nc2ccc(F)cc2)c1 7150064 MJLUYRUGTIXMFP-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1 7935364 ZZWTYMVFKQLOJU-SNVBAGLBSA-N 323.364 4.093 0 40 DIAB Cc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 8054050 ZEPDIYXEXIRHCL-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB Cc1ccc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8708450 QQBQPEJSQFCEPI-SFHVURJKSA-N 321.380 4.083 0 40 DIAB Cc1cc(C(=O)COc2ccc(F)c(Cl)c2)c(C)n1C1CC1 9126374 OUUDTZWBJKPBBN-UHFFFAOYSA-N 321.779 4.494 0 40 DIAB O=S(=O)(/C=C/Cc1ccccc1)c1ccc2ccccc2c1 9614859 YYEKUXJJYWHKNC-MKMNVTDBSA-N 308.402 4.370 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OC 10038599 XASZVKGTEFQEEB-UHFFFAOYSA-N 313.397 4.299 0 40 DIAB O=C(c1ccsc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11074710 KIPONPWUZOTHKP-UHFFFAOYSA-N 308.406 4.159 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 11613720 YFQTUQRPSVFMPU-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB CC[C@@H](C)C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 12919083 CZXQKTUPEAJXSH-LLVKDONJSA-N 315.442 4.229 0 40 DIAB O=C(Nc1ccccc1F)N[C@H]1CCSc2ccc(F)cc21 12926723 LOJKCXBDRKTHHN-ZDUSSCGKSA-N 320.364 4.323 0 40 DIAB O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 14211610 VMWFFUCJDYTIPM-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 19736415 XGPKDMSGULLLOF-AWEZNQCLSA-N 312.413 4.107 0 40 DIAB CC(C)(C)OC(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1 22052697 BBHFUMRYWZDUMA-UHFFFAOYSA-N 323.820 4.170 0 40 DIAB in-vitro Cc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)c(C)c1 25365178 MYPTULNPCWWBGT-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)cc2c1 29689045 VBTDOHZBYRXJHX-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1ccc(NCCC(=O)N2CCC[C@H]2c2ccccc2)cc1 32904112 ZCPVAKMZGYDZHK-IBGZPJMESA-N 308.425 4.161 0 40 DIAB Clc1ccc(OC[C@@H]2CCCNC2)c(-c2ccccc2)c1 42775493 SKCVFTFHYPSOGS-CQSZACIVSA-N 301.817 4.385 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(C)cc1 44899778 NVHXSVCGQUGEPZ-IBGZPJMESA-N 311.425 4.119 0 40 DIAB Cc1cccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 45949314 PEQOMEMKSYDXRD-GFCCVEGCSA-N 320.339 4.479 0 40 DIAB O[C@@H](Cn1cnc2ccccc21)c1cc(Cl)ccc1Cl 48543748 SLTMYMGYYAUYDO-HNNXBMFYSA-N 307.180 4.077 0 40 DIAB Cc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(Cl)c1 57326793 JGJNLELDOGQBSO-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB CCn1cc2ccc(NC(=O)CCCc3cccs3)cc2n1 58015242 BYVVAENUFHWOIF-UHFFFAOYSA-N 313.426 4.079 0 40 DIAB Cn1c(C(=O)NC2(c3ccccc3)CCC2)cc(Cl)c1Cl 58434276 CROZWJGVHTVWAR-UHFFFAOYSA-N 323.223 4.141 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1ccc(OCC)c(OCC)c1 59014074 FTRFKQDIQBKEBZ-HNNXBMFYSA-N 321.461 4.430 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(-c2ccco2)o1 72243262 LKKPFCRLXLEWLR-UHFFFAOYSA-N 314.366 4.127 0 40 DIAB CCO[C@H](C)c1nc(CSCc2cnc(C)s2)cs1 76861085 YYIPXGNFFOQKHZ-SECBINFHSA-N 314.501 4.439 0 40 DIAB Cc1c(NCc2nnc(C3CC3)o2)cccc1OC1CCCC1 86206655 MYMWMRPIIGBKCZ-UHFFFAOYSA-N 313.401 4.189 0 40 DIAB CC(C)n1ccc(=O)nc1S[C@@H](C)c1ccccc1Cl 95948587 CZMHAZJVQJGXJP-NSHDSACASA-N 308.834 4.331 0 40 DIAB CC[C@](C)(Nc1ccccc1)c1nnnn1-c1c(C)cccc1C 100498701 LJHSQWKXHTVGLU-IBGZPJMESA-N 321.428 4.016 0 40 DIAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 118917814 IKXILDNPCZPPRV-RWVVGZEQSA-N 304.474 4.205 0 40 DIAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224702114 DJGZPFMYSRIMQN-UHFFFAOYSA-N 323.845 4.289 0 40 DIAB Cc1nnc(SCc2cncc(F)c2)n1[C@H]1CCC[C@@H](C)C1 330031548 ADTMGPGLWBRDHC-ABAIWWIYSA-N 320.437 4.164 0 40 DIAB CN(Cc1csc2ccccc12)Cc1nc2ccccc2n1C 506496106 PONBPKUWYGEXHC-UHFFFAOYSA-N 321.449 4.420 0 40 DIAB CCCOc1cccc(-c2noc([C@H]3CCC(C)(C)O3)n2)c1 554799095 YICVEXMIVLTQCS-CQSZACIVSA-N 302.374 4.156 0 40 DIAB CC(=O)c1ccc(Sc2ccc(Cl)cc2C(=O)O)cc1 347439 FJKPKRPWYGRVLB-UHFFFAOYSA-N 306.770 4.392 0 40 DIAB COP(=O)(OC)[C@H](Nc1ccc(F)cc1)c1ccccc1 2293790 MDHMBVKTCAMPST-HNNXBMFYSA-N 309.277 4.422 0 40 DIAB O=C(c1ccc(CN2CCCCC2)cc1)c1cc(F)cc(F)c1 2514535 FJXKVUPFBMOWRJ-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB CC[C@@H]1CCCCN1[C@H]1NC=Nc2sc3c(c21)CCCC3 4652768 LFIIOFGRYMHEMQ-MLGOLLRUSA-N 303.475 4.153 0 40 DIAB COc1ccc2[nH]c(C(=O)Nc3ccc(Cl)cc3)cc2c1 4778854 CDJUTNQYRDRWEB-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 5873149 CFYWZLCOUZQASB-PGBRGIIUSA-N 315.482 4.252 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 6231875 JOMYYBNDOIXYHU-MOPGFXCFSA-N 309.409 4.038 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCCCCC3)c2cc1Cl 6936519 CGGJZXFHLJDNEB-UHFFFAOYSA-N 305.805 4.131 0 40 DIAB Cc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1C 8007271 GGPPRGJCYXLIEH-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2)cc1 8087351 VMIAPGRYSRWTIO-LBPRGKRZSA-N 302.418 4.436 0 40 DIAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12 8686307 CQLDPOVFRXRESJ-UHFFFAOYSA-N 307.397 4.077 0 40 DIAB CCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C)c1ccccc1 9217985 NSKDBIAUYCFUDG-QFBILLFUSA-N 310.441 4.453 0 40 DIAB Clc1ccc2c(Oc3ccc(-c4nnco4)cc3)ncnc2c1 12888081 SCVOUQLKZUVLAN-UHFFFAOYSA-N 324.727 4.126 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 13931535 MVNUSXWYRNRYSA-AWEZNQCLSA-N 306.381 4.403 0 40 DIAB CN(C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 16597480 FWAQYFHFHPAOEC-UHFFFAOYSA-N 314.772 4.405 0 40 DIAB C[C@@H]1c2ccsc2CCN1Cc1c[nH]nc1-c1cccs1 19498348 BONAYYLBXWICNH-LLVKDONJSA-N 315.467 4.319 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 20158439 WSZRMSOIBDSCQU-UHFFFAOYSA-N 312.394 4.408 0 40 DIAB Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 20193547 BQTUWYHSNUOUSO-UHFFFAOYSA-N 304.349 4.313 0 40 DIAB CCOC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1Cl 20453019 KJVNTRBHPOHDDW-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB COc1ccc([C@H](NC(=O)c2ccoc2C)c2ccccc2)cc1 25448674 NHEDVOKBAMJGFH-LJQANCHMSA-N 321.376 4.116 0 40 DIAB CN(C(=O)/C=C/c1ccccc1Cl)[C@@H]1CCc2ccccc21 27818405 YOWBKXHTZJHAAS-IYPOZPNPSA-N 311.812 4.499 0 40 DIAB CC(=O)c1cccc(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 28809885 AKXSDDMLBXOHBY-ZDUSSCGKSA-N 320.392 4.362 0 40 DIAB Cc1ccc(-n2cc3c(-c4ccccc4)nnc(C)c3n2)cc1 36627018 TVORTTWECRYBQS-UHFFFAOYSA-N 300.365 4.099 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 40312012 CCMZSOCCMZBKQK-LLVKDONJSA-N 311.410 4.457 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccccc1)C1CC1 48263267 ISPMJNUJOJTMKL-OAHLLOKOSA-N 314.454 4.456 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2C1=Cc2ccccc2OC1 49546255 QXRBAAQHGGPWMZ-CQSZACIVSA-N 323.396 4.189 0 40 DIAB COc1cccc(NC(=O)Nc2ccc(OC(C)C)cc2)c1 56326183 YHIZNKHRAQDOHO-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1cccc2ccccc12 58201008 YHVRJYGDKBWFTC-GFCCVEGCSA-N 322.412 4.073 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N(C)C)c(C)c2)C1(C)C 58406875 KORLCIVXVZRRHX-DOTOQJQBSA-N 300.446 4.238 0 40 DIAB Cc1cc(C(=O)c2ccccc2)cnc1NCc1ccccc1 72222328 ZRHODOSRJQWKHR-UHFFFAOYSA-N 302.377 4.233 0 40 DIAB Cc1nc(OCc2ccccc2)ccc1[C@@H](O)c1ccccc1 72224469 MGOGAYKQJYLXEG-FQEVSTJZSA-N 305.377 4.051 0 40 DIAB c1ccc(Cn2ccnc2CN(CC2CC2)c2ccccc2)cc1 75108141 PAJYXSFBYAYPEW-UHFFFAOYSA-N 317.436 4.348 0 40 DIAB C[C@@H](NC(C)(C)CNCc1ccc(F)c(F)c1)c1ccccc1 78725113 UNJWPUXDTAJSNN-CQSZACIVSA-N 318.411 4.184 0 40 DIAB COCc1nc(CN[C@H](c2ccccc2C)C(C)(C)C)cs1 80347568 XELAJPIBUJVFFE-QGZVFWFLSA-N 318.486 4.475 0 40 DIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1Cl 89522677 PWUNQOFRXOOEAP-AWEZNQCLSA-N 318.808 4.049 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc(F)cc2)C1 100984428 CXUBYVJUPMZQOF-WMLDXEAASA-N 306.450 4.423 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)c(C)c1 219490712 NMCRDJMQVJZQGA-APWZRJJASA-N 311.425 4.338 0 40 DIAB CC(C)(C)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 223040260 GHWLKDZIWJOKQK-OAHLLOKOSA-N 301.430 4.375 0 40 DIAB Fc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1F 225860792 BFNMAWMDAQJMSJ-UHFFFAOYSA-N 322.380 4.314 0 40 DIAB O=c1oc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1 255189101 NSPPCPRMLNLVDD-UHFFFAOYSA-N 307.136 4.238 0 40 DIAB CCCc1cc2c(cc1NC(=O)c1ccccc1Cl)OCO2 381973 PIGNSJJSBBKALJ-UHFFFAOYSA-N 317.772 4.274 0 40 DIAB O=S(=O)(c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccccc1 399864 VDIAJAOJFDLKAO-MOPGFXCFSA-N 308.402 4.170 0 40 DIAB Cc1cc(C)c(C(=O)O[C@@H](C)CNC2CCCCC2)c(C)c1 1709190 ZKUHFYWXFBFEMF-INIZCTEOSA-N 303.446 4.079 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc4c(c3)CCC4)c(C)c2c1 3560858 SCDCXFORYFMSLZ-UHFFFAOYSA-N 321.376 4.491 0 40 DIAB CSc1nc2ccccc2n1C(=O)/C=C/c1cccc(F)c1 4136870 UTEDVBZZFWWIBP-MDZDMXLPSA-N 312.369 4.251 0 40 DIAB CCCN(CCC)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5468195 GTFJIKDAYAAWIH-NSHDSACASA-N 318.244 4.409 0 40 DIAB CCOC(=O)c1oc2ccccc2c1CN[C@H](C)c1ccccc1 7783026 ZISBLMJMLPJWDH-CQSZACIVSA-N 323.392 4.460 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC 7971444 HAWQOQXBFZXFEZ-UHFFFAOYSA-N 321.376 4.418 0 40 DIAB C[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8738543 QMPWZOOQBQOZLI-GFCCVEGCSA-N 324.409 4.334 0 40 DIAB CCSc1nnc(C[C@H](c2ccc(F)cc2)c2ccco2)o1 12406576 FZOXNCRVZRLIBU-CYBMUJFWSA-N 318.373 4.288 0 40 DIAB O=C(CSc1nnc(C2CC2)o1)c1ccc2ccccc2c1 12923684 GNTCUWINQQXQOB-UHFFFAOYSA-N 310.378 4.075 0 40 DIAB CC[C@H]1CN(C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 13635458 OJLWUEFIEDXWFB-RXVVDRJESA-N 323.436 4.101 0 40 DIAB CCCCN(C(=O)c1cc(O)nc2ccccc12)c1ccccc1 14717552 NJFGKLMPHDWQFU-UHFFFAOYSA-N 320.392 4.387 0 40 DIAB COc1ccc(C(C)=O)cc1CN1CCc2sccc2[C@H]1C 16420669 JQRRPZJXPQPUJH-GFCCVEGCSA-N 315.438 4.079 0 40 DIAB COc1cc2c(cc1OC)C1=C(CC2)C2=CCCC(=O)[C@@]2(C)CC1 16606224 JHTSRKVLYAWMIL-NRFANRHFSA-N 324.420 4.493 0 40 DIAB O=C(NCc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 19015505 HQBSUJFVSDVYEG-UHFFFAOYSA-N 316.364 4.038 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCCCC2)cc1 20484888 GTIVYIGJQXZFAP-AWEZNQCLSA-N 321.486 4.405 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 22523977 CHDVGUZYIBIYPX-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1O)c1cccc2ccccc12 23433795 VDXXWYKUEQAOOL-HNNXBMFYSA-N 319.404 4.355 0 40 DIAB COCc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 24871178 NHYJZAYNMIBEJW-UHFFFAOYSA-N 317.388 4.337 0 40 DIAB Cc1nc2nc(-c3ccc(Cl)cc3)[nH]c2cc1Br 28464322 CHHMJUSAHLOLTB-UHFFFAOYSA-N 322.593 4.349 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c(C)o1 30116192 JEGFOMRDUKKBRT-SNVBAGLBSA-N 311.303 4.406 0 40 DIAB Cc1cc(C)c(NC(=O)CCc2ccc(F)c(F)c2)c(C)c1 31872702 VLXDFRVXKWIGAB-UHFFFAOYSA-N 303.352 4.461 0 40 DIAB Cc1cc(C)nc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)n1 33706721 RHJRIQKGFHQNFN-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB CSc1ccccc1NC(=O)CCCOc1ccccc1 36739902 CIUDFCDLQGKRKF-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB CC(C)(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2F)cc1 40088602 UIMQVTQYGDWWAD-SFHVURJKSA-N 319.395 4.086 0 40 DIAB C[C@H]1CCCCN1c1c(N)cc(Cl)cc1Br 45886210 JQJPUYYDWKVSAA-QMMMGPOBSA-N 303.631 4.064 0 40 DIAB CCOC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 48769201 QOYGSSODZPAXFR-UHFFFAOYSA-N 317.216 4.026 0 40 DIAB Cc1ccc(CN2CC[C@H](c3nc4cc(C)ccc4o3)C2)cc1 49168839 LNDVLXOYJKMPJD-KRWDZBQOSA-N 306.409 4.434 0 40 DIAB biogenic,in-vitro C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 52400002 LTZMPVNQKXRMSJ-YRGRVCCFSA-N 300.427 4.006 0 40 DIAB COCc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 58895093 VZJFORBVQIRCBH-ZDUSSCGKSA-N 324.380 4.462 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)c(F)c1 71326064 VKFYUKIOWQKGKB-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB Cc1cnc([C@H](NC(=O)C[C@@H](C)c2ccccc2)C2CC2)s1 72296840 ONIDNQYZXILXOI-SJKOYZFVSA-N 314.454 4.213 0 40 DIAB C[C@H]1C[C@@H](C)CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C1 72393363 DPNZUHQWLYTKES-PHIMTYICSA-N 311.351 4.060 0 40 DIAB NC(=O)[C@H](Cc1ccccc1)Sc1ccc2ccccc2c1 97114175 GWMMKHSRWRYCQT-SFHVURJKSA-N 307.418 4.029 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169682042 GCAODHPIRMXSSB-HINXJTCJSA-N 321.492 4.150 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCc2ccccc21 222962694 OBYPOHQORSQMRQ-GOSISDBHSA-N 309.409 4.050 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 224293323 LKUHROTXIHTWJY-HNNXBMFYSA-N 305.462 4.402 0 40 DIAB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(C)c1 225799113 PZXIMOXQCYGMJW-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(N)c1 226265724 LHKGQJWSSXRXLJ-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB O=C(Cc1ccc(F)cc1)NC1(c2cccs2)CCCC1 390828881 VAYIRLRTTRLNPV-UHFFFAOYSA-N 303.402 4.015 0 40 DIAB CN1c2ccccc2N(C)C1c1ccc(Br)cc1 365731 JQNYMBSIOOXZEH-UHFFFAOYSA-N 303.203 4.034 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccncc1 506050 UNUXOBIFMIGIQT-HXUWFJFHSA-N 314.392 4.468 0 40 DIAB Cc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 2383604 HRHWSKDJNXJDIB-MDZDMXLPSA-N 318.420 4.157 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1cccc(Cl)c1Cl 2514638 YXGFMMZYUPWTRA-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 2618472 DLOJVWFDSGJKEH-UHFFFAOYSA-N 314.385 4.025 0 40 DIAB CC(=O)c1cccc(NC(=O)CSc2ccccc2Cl)c1 3217613 FJGIOYBWPWONNT-UHFFFAOYSA-N 319.813 4.273 0 40 DIAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1ccccc1 4992915 MYENYPWFZNCOTI-ZDUSSCGKSA-N 324.330 4.063 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1 5062644 NVIVHVYLYCEBOP-APWZRJJASA-N 323.436 4.427 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 5557284 QKDRGRUDSJPPKT-UHFFFAOYSA-N 323.358 4.404 0 40 DIAB COC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1 6256442 NMAADMPTOZXWNK-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1cccc3ccccc13)S[C@H](C)C(=O)N2 6678444 PHKFKDARFLSTSJ-BDJLRTHQSA-N 323.421 4.035 0 40 DIAB C1=NN2C(SCCOc3ccccc3)=Nc3ccccc3[C@H]2C1 6786425 OOTIECBUYBDROQ-QGZVFWFLSA-N 323.421 4.233 0 40 DIAB O[C@@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl 6937066 XQXGPFGVDZJRNP-CYBMUJFWSA-N 321.163 4.125 0 40 DIAB COc1ccc(CSc2nnc(-c3ccoc3C)o2)cc1F 7194778 ARVRJPALUFVSPN-UHFFFAOYSA-N 320.345 4.078 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(F)cc1 7676731 JCNUSGNVJCKBMB-UHFFFAOYSA-N 308.809 4.308 0 40 DIAB Cc1sc2nc(-c3cccs3)nc(-n3ccnc3)c2c1C 8339981 URLNCBMIQJIQJJ-UHFFFAOYSA-N 312.423 4.222 0 40 DIAB Cc1nc2ccccc2c(Br)c1Br 13283279 ZNQPRPUNNJOKGR-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 14128609 UVCWCXHGFKCDJW-MUQADHOPSA-N 302.462 4.126 0 40 DIAB Cc1cccc(OCCCNC(=O)c2oc3ccccc3c2C)c1 16278565 DGNUBUUFPSNXGN-UHFFFAOYSA-N 323.392 4.249 0 40 DIAB COc1ccc(COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1F 22134756 LLGRFKPHIQKVAB-GFCCVEGCSA-N 314.356 4.412 0 40 DIAB CCc1nc2ccc(NC(=O)c3cc(F)ccc3F)cc2s1 22254960 VWNHBSFVTPJPDR-UHFFFAOYSA-N 318.348 4.389 0 40 DIAB Cc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 27991609 STLMJDMZABEGOE-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB Cc1cc([C@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)on1 48250757 AAAUODJCXJWWQR-QGZVFWFLSA-N 323.396 4.284 0 40 DIAB O=C(Cc1cc2ccccc2oc1=O)c1cccc2ccccc12 59474351 HVBYODZUMHQQGZ-UHFFFAOYSA-N 314.340 4.372 0 40 DIAB CCc1noc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)n1 69417366 BNVCFCIMIAMVRZ-RKDXNWHRSA-N 314.216 4.351 0 40 DIAB C[C@@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 70039527 IKNMZCNHGRRVTJ-OAHLLOKOSA-N 318.424 4.318 0 40 DIAB Fc1ccc(NCc2noc(-c3ccccc3)n2)c(Cl)c1 78252463 JSFHKPBWYPYKHI-UHFFFAOYSA-N 303.724 4.141 0 40 DIAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1C[C@@H]1c1cccnc1 84374543 CFJGYDBQWLLJKQ-MOPGFXCFSA-N 322.408 4.145 0 40 DIAB Cc1ccc(C)c([C@H]2CCCN2C(=O)CCCc2ccccn2)c1 89616427 QOXPIPVCBYPERF-HXUWFJFHSA-N 322.452 4.385 0 40 DIAB Cc1cccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1 101014632 MMFWOLPUDRGLNS-CQSZACIVSA-N 316.198 4.036 0 40 DIAB CC(=O)c1ccc(NC(=O)Nc2c(C)noc2C2CC2)cc1C 122306318 SFDFDSXAYIHTRW-UHFFFAOYSA-N 313.357 4.015 0 40 DIAB COc1cccc(NC(=O)Nc2ccc3sc(C)nc3c2)c1 202583997 GJYOBKUGDMZOBN-UHFFFAOYSA-N 313.382 4.257 0 40 DIAB Cc1ccc(C)c(CC(=O)NCCc2ccc(C(C)C)cc2)c1 216485037 YDIIDOSCSBOXTQ-UHFFFAOYSA-N 309.453 4.328 0 40 DIAB O=C(CCCOc1ccccc1)NCc1ccc2ccccc2c1 222781544 HDYLLCXJSHONCN-UHFFFAOYSA-N 319.404 4.315 0 40 DIAB Cc1ccc(OCCCC(=O)NCc2ccccc2Cl)cc1 244032676 STXQWSWDWUPWKK-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB O=C(Nc1ccc(-c2ccncc2)nc1)c1ccc(Cl)s1 585149387 HVNGBVXKGSNGCG-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2 484320 SBKRKKFAPNCECY-UHFFFAOYSA-N 323.458 4.322 0 40 DIAB O=C(Cc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 1715108 BQYBLUOGRMXIGB-UHFFFAOYSA-N 315.372 4.364 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 3088858 NPLCSRWZQNVYFC-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 3314509 YRHYECRASTVNSO-UHFFFAOYSA-N 313.209 4.119 0 40 DIAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 3603138 IQWIEQQJDBAEHR-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 5865022 GQWFYZPKTUVRFQ-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB O=c1[nH]c(-c2cccs2)nc2scc(-c3ccccc3)c12 6648829 DAEMMBDNRXPPRG-UHFFFAOYSA-N 310.403 4.380 0 40 DIAB Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)O 8907315 VXUYXRYJCQENRT-UHFFFAOYSA-N 311.381 4.243 0 40 DIAB CCC[C@@H](NC(=O)c1csc(C(C)=O)c1)c1cccs1 12200199 RXCIQRYYYMPPQI-GFCCVEGCSA-N 307.440 4.283 0 40 DIAB CCOc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12623768 BCBSZRQYWOQCCI-UHFFFAOYSA-N 323.314 4.034 0 40 DIAB CCc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12777192 LCNZTGGIMJTWCP-UHFFFAOYSA-N 321.420 4.339 0 40 DIAB O=C(COc1cccc2ccccc12)N[C@H]1CCc2ccccc21 13005494 XZNOBGFUCPTXTJ-IBGZPJMESA-N 317.388 4.022 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 13649125 WEFFWIGDPXKMCY-OLZOCXBDSA-N 315.800 4.085 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2c(F)cccc2F)no1 19119377 IQBXYQIGDLPDSN-QGZVFWFLSA-N 306.356 4.379 0 40 DIAB COCc1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 25335145 OWSGGLVBTBRUHH-CQSZACIVSA-N 315.438 4.261 0 40 DIAB Cc1csc(S[C@@H](C)c2nc(-c3cccs3)no2)n1 26034781 WGLOSZAAIHVXSI-QMMMGPOBSA-N 309.441 4.416 0 40 DIAB CCCCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 27794249 ILYBAONGEOBKOV-UHFFFAOYSA-N 323.190 4.233 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCO2 41450253 PPXHCUAGIIXRPU-UHFFFAOYSA-N 324.258 4.078 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)Nc1cccc(Cl)c1 44845729 FVUSKTHUNUDBOS-UHFFFAOYSA-N 313.159 4.454 0 40 DIAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1 45248243 LQFFNUNWDXAQFW-MRXNPFEDSA-N 319.408 4.014 0 40 DIAB Cc1ccc([C@H](C)N(C)c2nccc(C(F)(F)F)n2)c(C)c1 58439148 HXAUVGSJPLSLGM-LBPRGKRZSA-N 309.335 4.310 0 40 DIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc2[nH]ccc12 65476815 NBVXMZVNKTWUIK-UHFFFAOYSA-N 319.339 4.416 0 40 DIAB C[C@H]1CSC(SCc2cc(F)ccc2Br)=N1 89523455 HIHCXDLVSASAOZ-ZETCQYMHSA-N 320.252 4.313 0 40 DIAB Cc1cc([C@H](NCc2cc(C(N)=O)cs2)C(C)C)c(C)s1 95427541 FHOHLPDCKBOYEF-OAHLLOKOSA-N 322.499 4.012 0 40 DIAB CCc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100031945 FJLQBPOAOJGXIX-QFBILLFUSA-N 324.449 4.184 0 40 DIAB CC1=Nc2ccccc2/C1=N\Nc1ccc(Br)cc1 101079694 PDEISHJWOUEUID-CYVLTUHYSA-N 314.186 4.371 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 113960827 FTSYTDCLNHKBGW-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c(C)n1 152423916 HBCCGTINORMBAX-INIZCTEOSA-N 313.401 4.441 0 40 DIAB Cc1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1C 222864649 CMPFCUXCPGGQGN-UHFFFAOYSA-N 313.416 4.124 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1 225624170 MEBZATSGDQEAAS-SFHVURJKSA-N 307.434 4.236 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)cc1 225697866 QJYAOKONTBNOAQ-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CCc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 225759120 PTZBOTNJQFHPAT-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(C)cccc2[C@H](C)CC1(C)C 260616259 HMMYPVPBJDEJTK-ZBFHGGJFSA-N 303.446 4.429 0 40 DIAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccs3)nn2)c1 408532544 ZQSAJZQQZFRLQV-UHFFFAOYSA-N 310.378 4.041 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)Nc1c(F)cccc1F 575610508 OXFPHGMVNHBQIH-UHFFFAOYSA-N 318.279 4.140 0 40 DIAB Fc1ccccc1Cn1c(-c2cncs2)nc2ccccc21 111832 LNOHEKGICQPRKX-UHFFFAOYSA-N 309.369 4.347 0 40 DIAB Cc1cc(C)n(-c2nnc(-c3ccccc3)c3ccccc23)n1 126528 JPBHISAWQQJLTK-UHFFFAOYSA-N 300.365 4.099 0 40 DIAB Cc1cc(C)cc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1 412083 QIRNZFGHBMZBDG-UHFFFAOYSA-N 321.424 4.299 0 40 DIAB CCCc1cc(-c2n[nH]cc2-c2ccccc2)c(O)cc1OC 494207 HISDUYJYNAXYPL-UHFFFAOYSA-N 308.381 4.410 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2)c1 505913 UFJDKOMRJTWFPS-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1OC 510047 NSJVBRIUAWFZGF-GOSISDBHSA-N 322.408 4.091 0 40 DIAB COc1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1 1382040 AURRUUAVZIMCTE-UHFFFAOYSA-N 320.270 4.450 0 40 DIAB CC(C)CCNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2061882 KBNRCLXHOYERHO-UHFFFAOYSA-N 324.635 4.188 0 40 DIAB Cc1cc(C(=O)OCc2ccc(Br)cc2)c(C)o1 3253126 JWKUDVUGXRIQNJ-UHFFFAOYSA-N 309.159 4.016 0 40 DIAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 4660753 SKXMTVZOFRJIFN-CQSZACIVSA-N 303.427 4.309 0 40 DIAB COc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1 4678567 APYWRZUXUPBEED-UHFFFAOYSA-N 307.397 4.016 0 40 DIAB CC[C@@H](C)OC(=O)CCCCCCCC(=O)O[C@H](C)CC 4727113 NWUGLCZYPSNPCE-HUUCEWRRSA-N 300.439 4.401 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 5347681 LQEKMQSOYKEGNC-LBPRGKRZSA-N 315.800 4.235 0 40 DIAB CC[C@H](C)n1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 6016532 WNVVRBNEHYWVHG-VIFPVBQESA-N 308.472 4.360 0 40 DIAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)no1 6867977 PCYIGIDTXCFPQZ-UHFFFAOYSA-N 324.723 4.163 0 40 DIAB CCOc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6892401 GZGPTTWIZTVHKE-SENONWEKSA-N 316.441 4.008 0 40 DIAB CCCc1ccc(-c2nc(NC(=O)C3CC3)sc2C)cc1 6994237 OVHGFRCOORIXAR-UHFFFAOYSA-N 300.427 4.420 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C)cc(C)c1 8495878 PPENBCKLQGUAFU-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 12605812 SGEQASDUFSCGGD-CYBMUJFWSA-N 319.426 4.010 0 40 DIAB CN1CCc2c([nH]c3ccccc23)C[C@@H](c2ccccc2)CC1 13679807 MEHMCAALFDXXGP-KRWDZBQOSA-N 304.437 4.372 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 13708392 QDPBCVVEHYFIBT-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)oc2c1ccc1ccccc12 14201165 LZGSEVOQMKTRTL-CHWSQXEVSA-N 323.392 4.144 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2CC[C@@H]1C 15304132 VCWYOZXPXCWRTA-IRXDYDNUSA-N 322.452 4.047 0 40 DIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc2[nH]cnc2c1 18079856 QQELLQWBYXZEIO-UHFFFAOYSA-N 321.424 4.133 0 40 DIAB Nc1cc(Br)ccc1N1CCCc2ccccc21 19807118 YYCNDHDLJLISFO-UHFFFAOYSA-N 303.203 4.116 0 40 DIAB CCOc1ccc(CNCCc2ccccc2F)cc1Cl 20064279 RRAHHPCVMRMURW-UHFFFAOYSA-N 307.796 4.210 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 21358809 HRFOYEYQIAIWRH-CYBMUJFWSA-N 324.405 4.216 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)[C@@]1(C)CC1(Cl)Cl 21926885 WVHWZWLYVNTJNO-MRXNPFEDSA-N 322.235 4.382 0 40 DIAB COc1ccc2cc(CN(C)C(=O)c3occc3C)ccc2c1 21934332 WDLYZIRHBWTZMG-UHFFFAOYSA-N 309.365 4.022 0 40 DIAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1 25582736 IMVHBPPMUQFSEY-MRXNPFEDSA-N 318.804 4.333 0 40 DIAB FC(F)(F)c1nc(Cl)c2cccc(Br)c2n1 26894574 QZXRHWPACDPMTB-UHFFFAOYSA-N 311.488 4.065 0 40 DIAB CSc1nn(-c2ccc(F)cc2)c2c1CCc1ccccc1-2 26897141 FYIIPNOAEUMLPR-UHFFFAOYSA-N 310.397 4.499 0 40 DIAB CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27661959 SLYQMQCVXSLDQI-QGZVFWFLSA-N 322.880 4.029 0 40 DIAB O=C(O)C/C(=C/c1cccc(F)c1)c1nc2ccccc2s1 28495904 NBLARXWEORGJIG-WQLSENKSSA-N 313.353 4.451 0 40 DIAB Fc1ccccc1-c1nnc(COc2ccccc2Cl)o1 30824172 UTBSPEIDFHOJSW-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB CC(C)(C)c1cc(NC(=O)c2ccco2)n(Cc2ccccc2)n1 32753648 JOKMHSRWFIQJCO-UHFFFAOYSA-N 323.396 4.074 0 40 DIAB Cc1cc2occ(CC(=O)Nc3ccncc3)c2c(C)c1Cl 39892923 SIXAUNGNDAFRBI-UHFFFAOYSA-N 314.772 4.279 0 40 DIAB CCCC[C@@H](CC)CNC(=O)COc1cc(C)cc(C)c1C 40868869 OGFMABYRFPOIJL-QGZVFWFLSA-N 305.462 4.323 0 40 DIAB Cc1ccc(N)cc1C(=O)N[C@@H](C)c1cccc2ccccc12 43012568 UVERBUNNCOKGNZ-AWEZNQCLSA-N 304.393 4.221 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)NCCC1=CCCCC1 44885371 FHDMHGRSNCBBPB-OAHLLOKOSA-N 301.430 4.023 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccccc2Br)c(C)n1 58171608 DUSSTKQKLFUPEO-UHFFFAOYSA-N 319.202 4.022 0 40 DIAB Cc1ccc(Cn2nc(C)c(CNCc3ccccc3)c2C)cc1 61002720 OUJDDAXTEOSMLT-UHFFFAOYSA-N 319.452 4.146 0 40 DIAB CCc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 65550739 ANXNCUYTLNDFCJ-LBPRGKRZSA-N 300.324 4.055 0 40 DIAB O=C(Nc1ccccc1NC(=O)C1CCCC1)c1cccs1 69452732 URIAUDNYHBJGLH-UHFFFAOYSA-N 314.410 4.129 0 40 DIAB CC[C@@H](Nc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207655 XMMGPYMFOVOAET-CVEARBPZSA-N 304.434 4.277 0 40 DIAB CN(CC(F)(F)F)C(=O)Nc1cc(Cl)ccc1Cl 72285535 MZJYVGZTYGLJOC-UHFFFAOYSA-N 301.095 4.019 0 40 DIAB CCc1noc(CC)c1CN[C@@H](C)c1cnc2ccsc2c1 95969161 ZLEUUIREYPEPKD-NSHDSACASA-N 315.442 4.260 0 40 DIAB Cc1ccc(-c2noc([C@H](C)S[C@@H]3CCO[C@@H]3C)n2)cc1F 95974102 ZTHJVPNRICDCGC-UHIISALHSA-N 322.405 4.156 0 40 DIAB C[C@H](NC(=O)c1cncc2ccccc12)c1cccc(F)c1F 95980713 BMMUPMWRBKRUET-NSHDSACASA-N 312.319 4.004 0 40 DIAB NC(=O)CCc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 216925103 JOENHMFYENPPDK-UHFFFAOYSA-N 318.587 4.325 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1 225649938 RPIMWKMLYUNHIK-KRWDZBQOSA-N 311.425 4.118 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225732185 WKUVCWGJESWQGH-SFHVURJKSA-N 307.434 4.236 0 40 DIAB CCOC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443265 RZOHYXICAPNNPF-UHFFFAOYSA-N 322.368 4.375 0 40 DIAB CCC1(CC)CN(C(=O)c2cc(O)ccc2C)c2ccccc21 1566658690 IKXWTRCAGMRSPZ-UHFFFAOYSA-N 309.409 4.419 0 40 DIAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C)cc1 98361 KDTQBCSSCKZXQC-UHFFFAOYSA-N 306.365 4.464 0 40 DIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1 190835 LPFPTOINTRTVAY-RIYZIHGNSA-N 318.159 4.338 0 40 DIAB Cc1nc2ccc(Cl)cc2c(=O)n1-c1cccc(Cl)c1 363981 MPIDBDSBGAEZEK-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB O=C(Nc1ccccc1)c1ccc(CSc2ncccn2)cc1 386475 VWYFQKPUVQBDLP-UHFFFAOYSA-N 321.405 4.021 0 40 DIAB COc1ccc(Sc2nc(-c3ccccc3)ncc2OC)cc1 1406864 OXXCFKCPCLGDQX-UHFFFAOYSA-N 324.405 4.312 0 40 DIAB NC(=O)[C@H]1C(c2ccccc2)=C(c2ccccc2)c2ccccc21 1692703 JCHVPFVIYOQRAN-OAQYLSRUSA-N 311.384 4.228 0 40 DIAB Cc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)cc1C 1939636 YARWKZYDOBHPBX-UHFFFAOYSA-N 312.438 4.398 0 40 DIAB CCCCCC[C@@H](C)N(CC)CCOC(=O)c1ccc(N)cc1 1995944 QBMIRMQLZIGNEJ-MRXNPFEDSA-N 320.477 4.106 0 40 DIAB O=C(/C=C/c1cccs1)Nc1nc2c(F)cc(F)cc2s1 2723743 MISIJGLXFVRRCK-ONEGZZNKSA-N 322.361 4.288 0 40 DIAB O=C(COc1cccc2ccccc12)Nc1ccc(F)cc1F 3386305 HWYPWEMDWXGEFL-UHFFFAOYSA-N 313.303 4.136 0 40 DIAB Cc1ccc2c(CC(=O)NC34CC5CC(CC(C5)C3)C4)coc2c1 5557230 MAOYVZDOMVYIIN-UHFFFAOYSA-N 323.436 4.369 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1C(F)(F)F 6200938 BRXGGTFMHGBPSD-ZDUSSCGKSA-N 321.342 4.457 0 40 DIAB O=C(CCSc1ccc(F)cc1)NCc1cccc(Cl)c1 6433156 QEYNMRHKYSUDAB-UHFFFAOYSA-N 323.820 4.278 0 40 DIAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 7056478 CNTDQWRKLQNCNL-UHFFFAOYSA-N 323.845 4.438 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)cc1 7312600 WVWFWFIGSCUBMY-MRXNPFEDSA-N 301.361 4.024 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3C)no2)cc1 11916422 DREJOBKSJSEEIH-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB CC(C)COc1ccc(NC(=O)c2ccc(F)cc2F)cc1 12137891 SWJQMYQTSZKVPU-UHFFFAOYSA-N 305.324 4.252 0 40 DIAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3)cc2)cs1 12620965 QICXASGVIYXHFU-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB Cc1nc(CNC(=O)c2oc3cc(C)c(C)cc3c2C)cs1 15832306 JWDSOFNTPHYKPG-UHFFFAOYSA-N 314.410 4.053 0 40 DIAB Cc1nc(-c2cccs2)c(CC(=O)NC2CCCCC2)s1 15840053 MHRDQKGPDPOMNC-UHFFFAOYSA-N 320.483 4.171 0 40 DIAB CC(C)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 16125769 YLHHHYOCYVLQGC-OUKQBFOZSA-N 301.411 4.223 0 40 DIAB COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1Cl 18116613 KJUUESYVMBQTPV-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB COc1cc2c(cc1CN[C@@H](C)c1ccccc1C)O[C@H](C)C2 22777478 GAOSVTVSRXCOEZ-CABCVRRESA-N 311.425 4.178 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CCCSc2ccccc2)o1 39975809 NELFQZWYWPJMQM-AWEZNQCLSA-N 303.427 4.338 0 40 DIAB CC(C)c1ccc([C@H](C)NCc2c[nH]nc2-c2cccnc2)cc1 42933621 QOQPRSVZNPMOGQ-HNNXBMFYSA-N 320.440 4.446 0 40 DIAB O=C(Nc1ccncc1)N[C@H](c1cccs1)C1CCCC1 46983643 LIPIZYRNZPDACV-HNNXBMFYSA-N 301.415 4.196 0 40 DIAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(O)cc1 62715024 UEZDPEPXCSWMMF-KRXBUXKQSA-N 308.164 4.351 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)no1 66089054 CMQMZLBQKCNTCJ-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2)c1 68955322 JAOMJCOGPMOOLP-MRXNPFEDSA-N 311.425 4.202 0 40 DIAB F/C(=C(\F)C(F)(F)Br)C(F)(F)Br 71614846 BDJHSJLEJXRSSG-UPHRSURJSA-N 321.840 4.112 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 72215021 HSZSPMAGUIHXRY-OAHLLOKOSA-N 319.449 4.048 0 40 DIAB CCC(C)(C)C1CCC(NC(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 93906032 SCNFPCFNMYBSPS-JCAIJIATSA-N 309.494 4.301 0 40 DIAB C[C@H](OC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 95959404 HMYUNEHFDHXZPL-VIFPVBQESA-N 302.201 4.280 0 40 DIAB CC[C@@H](C)OCc1nc(-c2ccc(F)cc2C(F)(F)F)no1 97377767 ZTVOGIPFSYCKGF-MRVPVSSYSA-N 318.270 4.210 0 40 DIAB CC(=O)N(C)c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 129114434 IBNRFAZVNYYDCW-OLZOCXBDSA-N 314.351 4.202 0 40 DIAB c1ccc(-c2nsc(N[C@@H]3CCO[C@@H]3c3ccccc3)n2)cc1 195533512 QJBYPLUWEPHYEQ-HZPDHXFCSA-N 323.421 4.147 0 40 DIAB Cc1csc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 211143774 SXUCOIRYNCCWHG-OAHLLOKOSA-N 317.479 4.377 0 40 DIAB COc1ccc(/C=C(/C(=O)N[C@H](C)C(C)C)c2ccccc2)cc1 225185572 FUXARSPOBHWNIW-ZGPWBKFBSA-N 323.436 4.397 0 40 DIAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1cccs1)CC(C)(C)O2 225259176 MBLUJNBQXLEFOG-OAHLLOKOSA-N 315.438 4.018 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)cc1F 245170855 XJGAADNIMPDSSI-NSHDSACASA-N 315.319 4.072 0 40 DIAB CCOC(=O)c1csc(-c2cccc(Cl)c2Cl)n1 120700 DZFFVJGNGVCFIZ-UHFFFAOYSA-N 302.182 4.294 0 40 DIAB CCc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1 363658 XKJJJIWCBFMMTQ-GFCCVEGCSA-N 317.458 4.041 0 40 DIAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)C)cc1 413724 KIYXSLKAWMRNII-UHFFFAOYSA-N 315.804 4.484 0 40 DIAB CC(C)(C)OC(=O)NN1Cc2ccccc2Cc2ccccc2C1 1701980 ZSINTTCCGNNLKG-UHFFFAOYSA-N 324.424 4.033 0 40 DIAB CC[C@H]1CCCCN1C(=O)CSc1c(C)[nH]c2ccccc12 2718318 NHDDBUUFQOTJJD-AWEZNQCLSA-N 316.470 4.360 0 40 DIAB CC(=O)Nc1cc(NC(C)=O)c(C)c(Sc2ccccc2)c1 3150741 PJWCFJSRXGEVRZ-UHFFFAOYSA-N 314.410 4.063 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CNC(C)(C)C(C)(C)C 4264059 IQGBZGOVPLFYRK-HOTGVXAUSA-N 321.505 4.354 0 40 DIAB CC(C)(C)c1ccc(-c2nc3c4ccccc4ncn3n2)cc1 4770878 UPKKEKYTBIGQIF-UHFFFAOYSA-N 302.381 4.242 0 40 DIAB c1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1 4809876 TXKJWQIPAXUAHR-UHFFFAOYSA-N 305.425 4.071 0 40 DIAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1 5403634 CYTIOWVVYUSJMS-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB CCNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 6051609 GINFUDBXTPVGLA-UHFFFAOYSA-N 301.415 4.302 0 40 DIAB Cc1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1 7917354 DBQAEUKVNBJZID-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB CC(C)(C)C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 9142034 TYEVLYMSMFDSOL-UHFFFAOYSA-N 321.376 4.445 0 40 DIAB CC(C)CC[C@@H](C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 13005146 CKHXHZKBHYVVKB-NNNHXZLVSA-N 323.820 4.023 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1 13688997 OXKHWKYGTNDTPY-HZPDHXFCSA-N 319.404 4.485 0 40 DIAB CC(C)c1nc2sc3c(O)[nH]c(=S)nc3c2c2c1CCC2 18062281 YJHAKBFQXQBSNZ-UHFFFAOYSA-N 317.439 4.220 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccccc2Cl)s1 19927556 WIPLTNZIKSDHEK-TVQRCGJNSA-N 324.858 4.272 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 24026535 DAEZWTROOBXYDD-NRFANRHFSA-N 321.420 4.225 0 40 DIAB Cc1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)no1 24985689 REASRLRCBQPKLS-HNNXBMFYSA-N 313.426 4.320 0 40 DIAB CC(C)CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 25738074 PJKVRDAAMCWDBX-UHFFFAOYSA-N 317.389 4.187 0 40 DIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 29762275 QRUADJJFRCKTBM-HNNXBMFYSA-N 324.424 4.084 0 40 DIAB Cc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2n1 32096225 TWVPRECJLNGIRQ-UHFFFAOYSA-N 301.349 4.277 0 40 DIAB Cc1ncc(CNC(=O)c2ccc(-c3ccccc3)cc2)s1 32611482 AMLBGSBQOFPKRY-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB O=C(NCCCSc1ccccc1)c1ccc(Cl)s1 33000468 ZHKGVKMERLTZJM-UHFFFAOYSA-N 311.859 4.314 0 40 DIAB COc1cccc(CNC(=O)Nc2ccccc2C(F)(F)F)c1 33607433 XKHVTHAEIXBCKW-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB CC(=O)c1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 35121107 QUOQUOGJXNLBQQ-UHFFFAOYSA-N 302.761 4.495 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c1 38757116 JPYHGTCBFWHOFH-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB Cc1c(Cl)cccc1NC(=O)NCCc1ccc(F)cc1 40058067 XNOPMBMNEUFLFI-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB Nc1cc(Br)cc(Cl)c1NC1CCCCC1 45958933 GLNSJVXDWCQJTF-UHFFFAOYSA-N 303.631 4.429 0 40 DIAB CSc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)n1 49467408 PUGGPSNAOGOCBQ-UHFFFAOYSA-N 324.409 4.317 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCCCC2)c1 68955347 SRXAICZOBICYEB-HNNXBMFYSA-N 303.446 4.335 0 40 DIAB Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3O)nc2c1 70462053 LJRINKAPCKLFKY-UHFFFAOYSA-N 324.380 4.493 0 40 DIAB CCCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214337 NOGLBSNNOHBEEP-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB Cc1nc(Cl)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72217937 DDSOKMSJYWOEIP-MRXNPFEDSA-N 314.816 4.411 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 95098036 QIJOSZULVJRYBA-AWEZNQCLSA-N 300.402 4.282 0 40 DIAB COc1cccc(-c2nc3cc(C)cc(Br)c3[nH]2)c1 216916464 HUHRUVUULPCYQB-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB Cc1ccc(C)c(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c1 225027993 NAFDMAYBVRIOPE-INIZCTEOSA-N 304.773 4.032 0 40 DIAB COc1ccc(Cl)cc1C[C@H](Sc1ccccc1)C(=O)O 225121471 ZITFHHVFECHZJG-HNNXBMFYSA-N 322.813 4.137 0 40 DIAB Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)c(Cl)c1 225175651 UPUNPECEPAHQDZ-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CCC(CC)NC(=S)Nc1ccc(OC2CCCC2)cc1 225801652 PLJICUYKQTULBK-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1N 226266819 ADMOUJQZRODJAO-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB CC(C)c1ccccc1[S@@](=O)c1ccccc1C(C)(C)O 1570544 BNAGKGMIYANWAW-NRFANRHFSA-N 302.439 4.204 0 40 DIAB in-vitro CCn1c2ccccc2c2cc(NC(=O)c3ccncc3)ccc21 2192863 CKVSEPYZWJBLOE-UHFFFAOYSA-N 315.376 4.462 0 40 DIAB COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1 2640219 ALELSSSOCMBLKS-UHFFFAOYSA-N 314.389 4.041 0 40 DIAB C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 4104844 UVKYPKNCQJIGKV-PEFDPPPMSA-N 318.457 4.385 0 40 DIAB biogenic,in-vitro CC(C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 5121393 OREUCMDGXVFNND-UHFFFAOYSA-N 309.818 4.264 0 40 DIAB O=C(c1ccccc1)[C@@H]1CN(C2CCCC2)[C@H]1c1ccccc1 5412044 DYOADTOJACZXAL-UXHICEINSA-N 305.421 4.485 0 40 DIAB CCOP(=O)(Cc1cc(C(C)(C)C)oc1COC)OCC 6155194 WTMKLDJYDVUMTH-UHFFFAOYSA-N 318.350 4.490 0 40 DIAB O[C@H](c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl 6937069 XQXGPFGVDZJRNP-ZDUSSCGKSA-N 321.163 4.125 0 40 DIAB Cc1cc(-c2csc(-c3ccccc3)n2)c(C)n1-c1ncn[nH]1 7736092 KQQFOLLBAQYGDA-UHFFFAOYSA-N 321.409 4.003 0 40 DIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1 7917101 ARLAXTLBCSEUSX-NSHDSACASA-N 317.389 4.130 0 40 DIAB Cc1ccc(COc2cccc(C(=S)N3CCCC3)c2)cc1 9189013 RHWAXKHNUKSLIJ-UHFFFAOYSA-N 311.450 4.345 0 40 DIAB C=Cn1ncc(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C 12337398 FXUUDTZVVWDQCW-FQEVSTJZSA-N 321.468 4.452 0 40 DIAB COc1cccc(CN(Cc2ccccc2)Cc2ccncc2)c1 13989203 BHWJYDNJZJDXLI-UHFFFAOYSA-N 318.420 4.293 0 40 DIAB O=C(/C=C/c1cccc2cccnc12)OCc1ccc(F)cc1 14811097 RPMAQXWXVDZKDY-DHZHZOJOSA-N 307.324 4.131 0 40 DIAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 32477338 GDZYEHIFIVZJFW-HNNXBMFYSA-N 319.408 4.068 0 40 DIAB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c(C)o1 32845015 JMBALKCMGVCXJI-GFCCVEGCSA-N 301.411 4.428 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 32924127 NRJJYSODJLUTJD-JTQLQIEISA-N 306.406 4.205 0 40 DIAB CC(C)c1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 36730800 VJHQSSHDXGMLAI-QGZVFWFLSA-N 309.365 4.050 0 40 DIAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccc[nH]3)cs2)o1 48264577 GIVMLTZQKVCWGS-HNNXBMFYSA-N 313.426 4.377 0 40 DIAB CCC(CC)[C@H](NC(=O)c1c(C)noc1C)c1cccs1 56008200 BCTLCAICVJCGSB-HNNXBMFYSA-N 306.431 4.260 0 40 DIAB CC(C)(C)OC(=O)NCc1ccc(Sc2ccccc2)nc1 72225193 GYZFWEUBCKOUAQ-UHFFFAOYSA-N 316.426 4.258 0 40 DIAB Cc1cccc([C@@H]2CCCCN2C(=O)Nc2ccncc2)c1C 75537733 NNCJTTFSUQQBGY-SFHVURJKSA-N 309.413 4.458 0 40 DIAB CC(=O)CCC(C)(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 84651744 SRIBLHSJSRYPBG-OAHLLOKOSA-N 315.457 4.138 0 40 DIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)CC2=O 100749590 UPJYLPZNLJGXSV-IRXDYDNUSA-N 305.805 4.064 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NC(C(C)C)C(C)C)cc1 113969175 YPZYACPYLIYQFP-QGZVFWFLSA-N 305.462 4.203 0 40 DIAB C[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@@H]1O 118930971 FDGQIVOIHOIMNK-LUTFQZRRSA-N 304.474 4.205 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118933368 XAECMTJMUAHJFL-WMWOVULTSA-N 306.490 4.141 0 40 DIAB CC[C@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223199227 JSOYBESHHHSMAZ-CQSZACIVSA-N 307.821 4.294 0 40 DIAB CCOc1cccc(NC(=S)NC2CCCCCCC2)c1 225517659 WDFCMHBIQIVZPZ-UHFFFAOYSA-N 306.475 4.485 0 40 DIAB Cc1ccc(SCCCNC(=S)Nc2ccccc2)cc1 225586259 UFRMVXNSEQLKGM-UHFFFAOYSA-N 316.495 4.464 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225651758 ORWZTUPZKVCBEZ-KSSFIOAISA-N 307.434 4.316 0 40 DIAB CCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCC)c(C)c1 225907494 HNVWRNQHJNBIKB-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCN1C[C](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 1560408685 RAQPLVYJXKOEPO-SJLPKXTDSA-N 313.490 4.229 0 40 DIAB CN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1 417761 JXFOVBRDAIAKOT-UHFFFAOYSA-N 300.408 4.148 0 40 DIAB CCC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cs1 3453972 LTTNBHPXQFPEDP-GFCCVEGCSA-N 320.483 4.207 0 40 DIAB O=C1O[C@H](CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 4802829 WRMAPYKTAWTUIB-ANCGMVAHSA-N 310.393 4.074 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 5548235 FAZRBVDIHGORCI-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc3ccccc3o1)C2=O 5791410 ZRDLWQKYARPLAE-NCAQKEMTSA-N 301.411 4.314 0 40 DIAB COc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 6857064 YLUUBSFRXCHHKV-UHFFFAOYSA-N 324.405 4.444 0 40 DIAB O=C(c1cccc2cccnc12)N1CCC[C@H]1c1cccs1 8131819 ZTONVKJNDSWOGZ-HNNXBMFYSA-N 308.406 4.274 0 40 DIAB CC(=O)CCSc1nc(-c2cccs2)nc2ccccc12 8392859 CRRAWCKMCJXWOY-UHFFFAOYSA-N 314.435 4.430 0 40 DIAB CN(C)c1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1 12069666 VPMVLZGVFGEHLG-UHFFFAOYSA-N 314.454 4.265 0 40 DIAB Cc1cccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c1C 12492932 OQUNIEUJHGKLDJ-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB COc1ccc2[nH]c(=O)c(CNc3c(C)cc(C)cc3C)cc2c1 12493256 AEGBMWJARQJRLG-UHFFFAOYSA-N 322.408 4.074 0 40 DIAB Clc1ccc(-c2nc(CSc3nncs3)co2)cc1 12918453 BWVACDYXLGFMOF-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB CC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN12 13811530 ITDQTULRCVVUHP-CJNGLKHVSA-N 302.761 4.213 0 40 DIAB CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 16837542 CARALXRTDOYAIP-UHFFFAOYSA-N 322.408 4.018 0 40 DIAB Cc1cccc(NC(=O)Nc2cccc(Br)c2)c1 18176740 UGHQXVSVTLQKIN-UHFFFAOYSA-N 305.175 4.402 0 40 DIAB O=C(Nc1ccccc1)c1cccnc1Nc1cccc(F)c1 22053676 MJQWHJLMMSECMC-UHFFFAOYSA-N 307.328 4.217 0 40 DIAB O=C(COC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 22536839 APLSLRMNLOXCKS-UHFFFAOYSA-N 322.385 4.455 0 40 DIAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H]1c1cccnc1 32837276 SLMCQJWCTQMXKU-LJQANCHMSA-N 302.377 4.212 0 40 DIAB CCCNc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn12 40217037 WTMPYTZVUNHEBT-UHFFFAOYSA-N 314.820 4.488 0 40 DIAB CCCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 44847234 GOHCVEVNDPTBST-UHFFFAOYSA-N 306.258 4.143 0 40 DIAB O=C(NNc1ccc(F)cc1)c1ccccc1Nc1ccccc1 45971412 NILXTTZZFTXWLJ-UHFFFAOYSA-N 321.355 4.326 0 40 DIAB C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccs1 48366339 QXMSOQRKMQALDO-GFCCVEGCSA-N 301.411 4.028 0 40 DIAB CCn1ccc2cc(NC(=O)NCCc3ccccc3)ccc21 57997254 MKKWICOZVZKJPE-UHFFFAOYSA-N 307.397 4.025 0 40 DIAB CCCCO[C@H](C)C(=O)N(c1ccc(OC)cc1)[C@@H](C)C1CC1 60306483 MVQNPLBVEHFPCI-LSDHHAIUSA-N 319.445 4.032 0 40 DIAB O=C(Nc1ccccc1)N(Cc1ccccc1)CC1CCOCC1 69918786 RKHITBNJDPWQQJ-UHFFFAOYSA-N 324.424 4.147 0 40 DIAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH]c1=S 72218296 BRVKOUOAPVIIPY-INIZCTEOSA-N 312.438 4.420 0 40 DIAB CC(C)(C)OC(=O)N1C(=O)[C@@H](c2ccccc2)c2ccccc21 137438877 ZEJFRCFSRDATOD-INIZCTEOSA-N 309.365 4.100 0 40 DIAB CCc1ccccc1NC(=O)c1snnc1-c1ccccc1 225759089 XUQPHWRUGPYDTO-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB CC(C)(C)c1cc(CN2CC[C@H](c3ccc(F)cc3)C2)no1 585084810 NKNWGZZFELZFLV-AWEZNQCLSA-N 302.393 4.101 0 40 DIAB Cc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1 349591 AAASRNHSMGFXGC-UHFFFAOYSA-N 318.401 4.423 0 40 DIAB Cc1cccc(C)c1NC(=O)COc1cccc2ccccc12 362410 MCNGKGBXFQVPTQ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB O=c1ccc2ccc(Oc3nnc(-c4ccccc4)s3)cc2o1 383920 IZNIMTKBBZEYKX-UHFFFAOYSA-N 322.345 4.104 0 40 DIAB biogenic Cc1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1 527248 IWRQWFJFLCMTKG-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccco1 1017092 PVHDPTPJUCMZLJ-UHFFFAOYSA-N 312.346 4.356 0 40 DIAB O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)c1ccccc1 2910432 RBTPVRPQCKOBLP-AIGDTVQASA-N 317.388 4.393 0 40 DIAB Fc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1 3284088 VWPVBLPXLNGPLT-UHFFFAOYSA-N 307.328 4.170 0 40 DIAB Fc1ccc(COc2cccc(CNCc3ccccn3)c2)cc1 6703534 SWXRVTRJXINRCY-UHFFFAOYSA-N 322.383 4.090 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Cl 7655717 SFOVNPRJVRVFDY-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1 9064430 YIDZABNWVOGMOX-AWEZNQCLSA-N 312.388 4.457 0 40 DIAB COc1ccc(C(=O)CSc2nccc3ccccc23)cc1 12138902 JDMCEKQQWPBNFE-UHFFFAOYSA-N 309.390 4.218 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCc1ccccc1Cl 12606880 PUWDTPZLAPQHIL-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB Cc1cc(CNC(=O)Cc2ccc3ccccc3c2)ccc1F 12997499 NIPGLBCWNQDXJM-UHFFFAOYSA-N 307.368 4.146 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C)ccc1C 14573260 QHKXRLGCBQJQJZ-VQIMIIECSA-N 311.425 4.338 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2ccc(CO)o2)c1 20145034 SPAPSIRIAOEWCC-FMIVXFBMSA-N 319.360 4.091 0 40 DIAB CCOc1cc(CNc2ccccc2)c(Br)cc1O 20328989 ULMUDVBBXHXZPJ-UHFFFAOYSA-N 322.202 4.166 0 40 DIAB Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccccc12 27794718 AMALTKRSVOWQQE-SNVBAGLBSA-N 310.353 4.106 0 40 DIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CCCC[C@H]1C 32895378 MJXLAOKVNZRTNY-WQGACYEGSA-N 310.388 4.246 0 40 DIAB c1ccc(-c2cc(SCc3cn4ccccc4n3)ncn2)cc1 36709728 ATZOQUVEHHBXPR-UHFFFAOYSA-N 318.405 4.084 0 40 DIAB O=C(NCCc1ccsc1)Nc1ccccc1C(F)(F)F 43158770 JGODZAGMWDOLOU-UHFFFAOYSA-N 314.332 4.131 0 40 DIAB CCc1sc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1C 48532135 IBKORZPNNHOVGP-DHZHZOJOSA-N 303.408 4.025 0 40 DIAB Cc1ccc2c(NC(=O)COc3cccc(C)c3C)cccc2n1 59294234 KCJBDEBVTQQKBR-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB CCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(C)(C)C)C1 59392614 URNPBSJACSJABQ-QGZVFWFLSA-N 322.836 4.077 0 40 DIAB Cc1cccc(-c2nnc(-c3cnc4onc(C(C)C)c4c3)o2)c1 71890714 VJNSITWKRSDUGW-UHFFFAOYSA-N 320.352 4.372 0 40 DIAB CC[C@H](C)NC(=O)Nc1cccc(CSC2CCOCC2)c1 96407994 NOOMWEICCUOSCU-ZDUSSCGKSA-N 322.474 4.019 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)nc2ccccc12 195624009 HJIQUJGNFPCGPU-GOSISDBHSA-N 320.367 4.100 0 40 DIAB Nc1nnc(/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)o1 216747558 IXFDPWJQKGVNMC-DUXPYHPUSA-N 322.151 4.389 0 40 DIAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)cc1 225630031 AZWSEXXOWMMIRD-HXUWFJFHSA-N 323.436 4.455 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccs2)on1 123490 QUASJRMTBIGCMO-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB OC1(C(F)(F)C(F)(F)F)c2ccccc2-c2ccccc21 2528681 KMEGBWQYOBNDAA-UHFFFAOYSA-N 300.226 4.101 0 40 DIAB CCOC(=O)CCCCC(=O)c1cccc(C(F)(F)F)c1 2580325 CPOWYRQGDVAMAL-UHFFFAOYSA-N 302.292 4.012 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)N1CCc2ccccc21 3294080 MLCOVBPOMMRSHV-UHFFFAOYSA-N 306.192 4.125 0 40 DIAB CCCC(=O)N(CC(C)C)c1nnc(-c2cccc(C)c2)s1 4982524 ZHVNEEMZMPVCAD-UHFFFAOYSA-N 317.458 4.303 0 40 DIAB CSc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 5299089 OAMONDIXOTUEIW-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 5707319 FJEWZTKJWDXTTJ-DHSIGJKJSA-N 318.413 4.230 0 40 DIAB Cc1ccc(OCCNC(=S)Nc2ccc(Cl)cc2)cc1 7661079 RXENSZZHSDUEDC-UHFFFAOYSA-N 320.845 4.014 0 40 DIAB Cc1ccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1 8127375 LFAHTBWFRLNBCP-UHFFFAOYSA-N 318.420 4.219 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccccc3Cl)cc2c1 8166298 MITIMKPYQVTLEH-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB COc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1 8471467 NJVMVKKJGXUVON-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB Nn1cc(-c2ccccc2)nc1SCc1ccccc1Cl 8706574 GDOHTGXWJLKGRC-UHFFFAOYSA-N 315.829 4.210 0 40 DIAB COc1cccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 8750872 FBRMYOADZSZJCW-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(Cl)cc1 12621922 LNSWQHFQRSHKPV-CQSZACIVSA-N 321.804 4.446 0 40 DIAB Clc1ccc2c(Cl)c(I)cnc2c1 19721617 LCUQJSFUVCSBQE-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 20112006 MJFVTAUYCLLVRV-UXHICEINSA-N 323.436 4.346 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1 22975989 BXVXPTHBJYKGNA-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CCc1ccc([C@@H](NC(=O)Cc2csc(C)n2)C(C)C)cc1 26394040 CYRIGYXMXQNIKU-SFHVURJKSA-N 316.470 4.070 0 40 DIAB Cc1cc(C)cc(NC(=O)CCCc2nc3ccccc3[nH]2)c1 29053522 JQABVBICUUAOQE-UHFFFAOYSA-N 307.397 4.141 0 40 DIAB O=C(NCc1cc(F)cc(F)c1)c1cc2cc(Cl)ccc2[nH]1 30158905 HOFSONRQIZNSCB-UHFFFAOYSA-N 320.726 4.030 0 40 DIAB O=C1C[C@@H](c2ccccc2F)c2snc(-c3ccccc3)c2N1 35316389 NYDGJFIFZKVPQX-ZDUSSCGKSA-N 324.380 4.423 0 40 DIAB CCOCc1ccccc1CNC(=O)Nc1ccc(CC)cc1 40097918 PNWNMLXYHSOLAO-UHFFFAOYSA-N 312.413 4.107 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 40098775 XAIHMFOXGYPKCV-GJZGRUSLSA-N 302.418 4.129 0 40 DIAB Clc1cc(-c2ccccc2)ccc1OCC1CCNCC1 42774996 BXGDAZPCBDRVNY-UHFFFAOYSA-N 301.817 4.385 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)NC1CCCCC1 44836859 DNUIGXHKXUAYHK-UHFFFAOYSA-N 301.217 4.125 0 40 DIAB CC(C)c1ccc(-c2nc3c(s2)C[C@H](C(=O)O)CC3)cc1 57630203 HRQLHWXBVQRPDX-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB FC(F)(F)[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 57869467 ODQWLYVJKMJOCX-ZDUSSCGKSA-N 310.319 4.116 0 40 DIAB CC(=O)c1c(F)cccc1N(C)CCOc1ccc(Cl)cc1 58304054 PSJHPBWLYKCGJA-UHFFFAOYSA-N 321.779 4.197 0 40 DIAB CC(C)(C)NC(=O)/C=C/c1cccc(OCc2ccccc2)c1 58474871 WWUIPAYDJDHRRY-OUKQBFOZSA-N 309.409 4.194 0 40 DIAB O=C(CSc1ccccc1)NCc1ccc2ccccc2c1 71861472 GMTKAGYHZKMFJQ-UHFFFAOYSA-N 307.418 4.248 0 40 DIAB Cc1ncc(NC(=O)c2ccc(OC(C)C)cc2)c(C)c1Cl 72265151 CECDOSXQGSJLQL-UHFFFAOYSA-N 318.804 4.391 0 40 DIAB CSCc1cccc(NC(=O)NC(C)(C)c2nccs2)c1 72286673 AQFZSNGVPCUSGP-UHFFFAOYSA-N 321.471 4.063 0 40 DIAB Cc1cnc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)cn1 72302991 FLPKLPRRYKNLOE-QGZVFWFLSA-N 319.493 4.488 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C)cc1 78458740 FXLXHUOWVKOSSX-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2cccs2)cs1 78824297 PRUSFIRBZBVLOR-RYUDHWBXSA-N 310.488 4.495 0 40 DIAB CCCn1cc(C(=O)N2CCn3cccc3[C@@H]2C)c2ccccc21 95369514 NVOXEAAKWWBVHW-HNNXBMFYSA-N 321.424 4.070 0 40 DIAB O=C(O)c1ccc2c(/C=C/c3nc4ccccc4s3)n[nH]c2c1 95980007 MWRGSBZGOAHCHB-BQYQJAHWSA-N 321.361 4.041 0 40 DIAB CO[C@H](CNC(=O)c1cccc2ccccc12)c1ccccc1C 96104962 JGSLRTOEEUTXCA-HXUWFJFHSA-N 319.404 4.266 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)N(C2CC2)[C@H](C)c2ccccn2)C1(C)C 107338106 GBYASDUHXQUVPI-QGPMSJSTSA-N 312.457 4.372 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C 113960710 LOXGUPJJCDLCLW-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB Cc1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 128809459 CQLFXFXQBRNGEU-UHFFFAOYSA-N 314.182 4.266 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223150078 WBEANJJTWLJIDI-NRUITVPNSA-N 321.420 4.075 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223245999 CYAWPFYNYHJYJM-YWZLYKJASA-N 323.436 4.210 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2ccc(F)cc2F)c1 225392193 MYDXMCACNIGYKX-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB Cc1ccccc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408558975 WWFCAJNZQZJTJI-INIZCTEOSA-N 303.814 4.427 0 40 DIAB CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2)n1 408724199 HQWSOTZIJCTLHF-UHFFFAOYSA-N 306.365 4.024 0 40 DIAB Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@H]1[C@@H](C2)C1(C)C 181721 HRJHJSVXCGLCEV-AUUYWEPGSA-N 303.409 4.333 0 40 DIAB O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 1383356 VJNANIFGAGIJST-UHFFFAOYSA-N 318.401 4.173 0 40 DIAB CCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 2306591 HCZLBIRBWOUVAI-UHFFFAOYSA-N 310.810 4.178 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1 2624060 SPAJQTWZQJVLDA-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB Cc1cc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2[nH]1 4138056 CRUPFEPZARPDTP-UHFFFAOYSA-N 316.763 4.199 0 40 DIAB CCC(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 5035532 GDRFEODSGVUWPD-UHFFFAOYSA-N 322.364 4.342 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CCC[C@H]12 5103718 FIYKELYEIQYSKX-WNEXGZFFSA-N 304.474 4.349 0 40 DIAB CC(C)(C)CC(=O)NCCc1csc(-c2ccc(F)cc2)n1 5137366 SRNPBCMOLIUOCX-UHFFFAOYSA-N 320.433 4.044 0 40 DIAB CCCCN(CCCC)C(=S)Nc1ccc(C(=O)OC)cc1 5860861 LXRGBLWNMRUBCG-UHFFFAOYSA-N 322.474 4.072 0 40 DIAB CCCc1nn2cc(-c3ccc(Br)cc3)nc2s1 6748226 SRIPSUOSEWTTHC-UHFFFAOYSA-N 322.231 4.173 0 40 DIAB Cc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 7974931 HZCPCIQEHWWNAI-UHFFFAOYSA-N 315.416 4.443 0 40 DIAB CC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(C)C 9338481 OVTSLRHMNSNGME-UHFFFAOYSA-N 310.397 4.063 0 40 DIAB O=C(O)c1ccc(OCc2nc(-c3cccs3)cs2)cc1 11851373 HTWBPISLKFQGCL-UHFFFAOYSA-N 317.391 4.149 0 40 DIAB O=C(C1CCCC1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180980 SMNIKDIEEDULEN-ZNXRZULTSA-N 301.405 4.253 0 40 DIAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12948739 JXMHKHYLDWZHJX-UHFFFAOYSA-N 324.355 4.286 0 40 DIAB Cc1ccc(Sc2cncc3sc(C(=O)O)cc23)cc1 13862325 XMFGQDABHQXFFK-UHFFFAOYSA-N 301.392 4.454 0 40 DIAB Nc1cc(Br)ccc1Oc1ccc2c(c1)CCC2 14631039 PVFDEAUBJJBTGH-UHFFFAOYSA-N 304.187 4.312 0 40 DIAB CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 16832651 WMJQZYBXVISLEJ-LLVKDONJSA-N 321.829 4.468 0 40 DIAB Fc1ccccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 29824838 IXXVOYOJAWZWQB-HNNXBMFYSA-N 310.372 4.347 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 30996688 JSDNCRYLPFROSW-HNNXBMFYSA-N 302.377 4.069 0 40 DIAB O=C(CSc1cccc2ccccc12)NCc1ccccc1 32696263 JCWUSXVMYVBVRU-UHFFFAOYSA-N 307.418 4.248 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1OC 40090471 COPOHHPZWFHROX-AUECHBEKSA-N 301.411 4.037 0 40 DIAB Cc1cc(CSc2ncc(C(F)(F)F)cc2Cl)on1 48397363 BVMNTYOQDHDZIY-UHFFFAOYSA-N 308.712 4.343 0 40 DIAB Cc1ccc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)cc1 49169904 NJRKRXPPLCJNCP-INIZCTEOSA-N 311.429 4.167 0 40 DIAB biogenic,in-vitro Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 58394193 FVYFXFWGVDRFIX-HBTYAENMSA-N 324.424 4.429 0 40 DIAB CNc1nc2c(s1)[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 61718684 JGGULCBCGOCNBN-LBPRGKRZSA-N 317.414 4.096 0 40 DIAB O=C(c1cc(-c2ccccc2)no1)N1CCc2ccc(Cl)cc21 69912703 DTHYQZZKUDPZDG-UHFFFAOYSA-N 324.767 4.198 0 40 DIAB CCCOc1ccc(Cl)cc1CNc1cccc(C(=O)O)c1 76275196 WNPPETAMRWYPSB-UHFFFAOYSA-N 319.788 4.439 0 40 DIAB CCOc1ccc2nc(C)cc(Nc3ccccc3C(=O)O)c2c1 78401717 VBXJGGUEHRNYQJ-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB Cc1cc(F)cc(C(=O)c2ccc(C)c(Br)c2)c1 95916974 ZTYDINUKVBBSCB-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]12 118935538 YMRXPTYHXAWRHM-RSOSZQKCSA-N 320.517 4.387 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c(C)c1 222620288 UVIMZOQSDRAJDF-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3)N21 222639861 FYDNJSLXEFDSOT-BHYGNILZSA-N 309.438 4.061 0 40 DIAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)C1CC1 225334826 CSMVHHDWMRIVML-UHFFFAOYSA-N 321.405 4.221 0 40 DIAB CCCCOc1c(C)cc(NC(=O)C(C)(C)OCC)cc1C 225648526 YKTDRVILUZBGDO-UHFFFAOYSA-N 307.434 4.236 0 40 DIAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1 225712606 NRRVDWKZVSRMSP-KBXCAEBGSA-N 305.418 4.009 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 263595445 DOIUYMHEABAPBH-SKAYVDEBSA-N 302.458 4.413 0 40 DIAB CC(C)CN1CCC[C@H](c2cccc(Nc3nccs3)n2)C1 2037834694 DJFQDQGMWQIOKV-AWEZNQCLSA-N 316.474 4.117 0 40 DIAB CC(C)c1ccccc1OC(=O)c1ccc(Br)o1 505040 RUVQXGVQBLROHH-UHFFFAOYSA-N 309.159 4.385 0 40 DIAB CN(C(=O)c1cccc(F)c1)c1nc(-c2ccccc2)cs1 932622 YTFRSAOBTWBFQK-UHFFFAOYSA-N 312.369 4.226 0 40 DIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2663447 AJDPPNCKUDZUSB-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB CC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3 4335398 SQVKWKXKWRPING-UHFFFAOYSA-N 312.394 4.220 0 40 DIAB CCCCC/C(=C\c1ccccc1)[C@H]1OC[C@H](COCC)O1 4802529 PDGKGFLQMGPRLF-VPVZTASZSA-N 304.430 4.428 0 40 DIAB Cc1cnnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 5034176 OLQDOVCPPJZLSE-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB C1=C[C@H]2[C@H]3C4C=C[C@@H]5C([C@@H]3[C@H]2c2cn(-c3ccccc3)nc21)[C@@H]5C=C4 5722040 XVWJOZCUCAQNFB-ZUGKFODXSA-N 324.427 4.463 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 7829552 DBDRXMOWPKMTHM-RPTYSRGTSA-N 301.386 4.046 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 7951101 UBQVICYJJOFWMP-INIZCTEOSA-N 324.424 4.001 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CC=C(c2ccccc2)CC1 7988344 RPPNSMXLVVTLLD-UHFFFAOYSA-N 320.417 4.226 0 40 DIAB COc1ccc(NC(=O)CCc2ccccc2F)cc1Cl 8269749 GPNSCKDNMMSANE-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CSc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8394094 ZAUKWPCJYDIUIB-HNNXBMFYSA-N 315.463 4.375 0 40 DIAB COc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 9087496 UIVRZROUJDMGKM-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Clc1cccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c1 12415130 JORXPHWYEAYTQH-UHFFFAOYSA-N 312.716 4.040 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccs1 14241514 FHTUKZZQIWOMMJ-LLVKDONJSA-N 309.843 4.368 0 40 DIAB CC[C@@H](C(=O)Nc1nc(-c2ccccn2)cs1)c1ccccc1 15108323 DGMNBCYRJKIIGL-CQSZACIVSA-N 323.421 4.337 0 40 DIAB Cc1cccc(C)c1NC(=O)c1ccc(Br)s1 15992634 FNONHISFXNPXRI-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C 16468832 DZGXTFBGNSHRAT-KBPBESRZSA-N 309.356 4.465 0 40 DIAB C[C@@H](NC(=O)CCCc1nc2ccccc2o1)c1ccccc1 31807502 PEKZKFYWZMGBII-CQSZACIVSA-N 308.381 4.028 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)n1 32909644 RFJWQQUNVGBBQF-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB CCN(CC(=O)c1ccc(Br)cc1)c1ccccc1 34990108 IHHCDKQMXRLOFU-UHFFFAOYSA-N 318.214 4.158 0 40 DIAB Clc1cccc(-c2nnc3sc(C4CC4)nn23)c1Cl 36360410 XYVDTRNWHNADNU-UHFFFAOYSA-N 311.197 4.037 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCc2ccccc2C1 36385105 IJFDLVIKCALMSY-HNNXBMFYSA-N 318.420 4.106 0 40 DIAB COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1c1ccsc1 46089305 MBDKRKFHGQDKCA-QGZVFWFLSA-N 315.438 4.296 0 40 DIAB O=C(CCc1ccccc1)c1cc(Br)ccc1F 94107890 GZLCTSSGFDLXEX-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB CCC(CC)(NC(=O)c1oc(C)nc1C)c1ccc(Cl)cc1 95961731 LPIMWTQYRVFJSQ-UHFFFAOYSA-N 320.820 4.390 0 40 DIAB Cc1cc(CSCc2ncc(-c3cccc(F)c3)o2)on1 95963283 LKKXWQPJHDDZAZ-UHFFFAOYSA-N 304.346 4.211 0 40 DIAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2cscc2C)o1 97161756 AFQXMLBTUOSJKP-AWEZNQCLSA-N 320.414 4.165 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1csc(-c2ccco2)n1 104801537 JKUQEQMZBSRCKR-RWMBFGLXSA-N 317.410 4.273 0 40 DIAB Cc1ccc(N(C)C(=S)Oc2ccc3nccnc3c2)cc1C 107941165 LNAHPENDVMOHSR-UHFFFAOYSA-N 323.421 4.047 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(OC)c1 113970098 GZIDFDGVADLPCS-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 223167047 VTNQHUCGZQPCID-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB Cc1cc(NC(=S)N[C@@H](C)c2ccccc2)ncc1Cl 223956171 RQDMUGVLKHSKTG-NSHDSACASA-N 305.834 4.091 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)c(C)c1 225025136 XBVBEHWROLPFEM-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1ccc(NC(=S)NCCCSC2CCCCC2)nc1 225592086 YUMXANDTKMPORZ-UHFFFAOYSA-N 323.531 4.132 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1 225708441 HOPWZAJBXFEMEP-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB CCc1cc(NC(=O)c2ccc(-n3cccn3)c(C)c2)ccc1F 1525677491 AGJYKKBLXAIPFV-UHFFFAOYSA-N 323.371 4.135 0 40 DIAB CC1(C)CC(NSc2nc3ccccc3s2)CC(C)(C)N1 27633 GDTGOEKRLDIBJM-UHFFFAOYSA-N 321.515 4.202 0 40 DIAB O=C(Oc1cccc2ccccc12)c1ccc(Br)o1 290843 QPPSWUYENJKWEY-UHFFFAOYSA-N 317.138 4.415 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl 364953 HTKASQKWXIABBI-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1ccc([C@H]2OC(=O)c3c2ccc2ccccc32)c(C)c1 1626403 PMVCYRWPQFDLEX-LJQANCHMSA-N 304.345 4.417 0 40 DIAB CCc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3473491 JMCRQYVKOCWPTA-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB Cc1ccc2sc(NC(=O)c3c(F)cccc3F)nc2c1C 4275362 QKKJJYFLURXUSF-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB CCc1ccc2oc(-c3cc(NC(C)=O)cc(C)c3O)nc2c1 4736805 PJEBIFOGHZTEFE-UHFFFAOYSA-N 310.353 4.030 0 40 DIAB O=C(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1Cl 5713538 FTTGRMSGEVELCT-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(C)c(C)c3)oc2c1 6811300 QCNFGSYPGNZFMM-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB CCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 8227269 PBTRAQYXUQRANN-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 11709819 PUTNOTNSKRZSJZ-ZDUSSCGKSA-N 314.454 4.498 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)CCn3cccn3)cc2)cc1 12739198 AWKSXLPAXBEGFQ-UHFFFAOYSA-N 321.380 4.013 0 40 DIAB COc1ccc(-c2nc(CSc3nc(C)cs3)co2)cc1 12905526 NEACKXHVEXCNKZ-UHFFFAOYSA-N 318.423 4.407 0 40 DIAB Cc1ccc2nc(NC(=O)CCC(=O)c3ccccc3)sc2c1 13011690 PXRVTCKBVZUTLD-UHFFFAOYSA-N 324.405 4.206 0 40 DIAB O=C(CSCc1ccccc1Cl)N1CCc2ccccc21 13667912 JJZGZBLDFADCCJ-UHFFFAOYSA-N 317.841 4.163 0 40 DIAB COc1ccc(NC(=O)c2cccc3cccnc23)cc1Cl 14139384 DZEAQWRECMTYIN-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB COc1ccccc1OC(=O)Cc1coc2cc3c(cc12)CCC3 14471799 OIXYYFXSIMYCSZ-UHFFFAOYSA-N 322.360 4.078 0 40 DIAB COc1cccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 15694964 RHRQKFGCFTYFIJ-LLVKDONJSA-N 323.314 4.205 0 40 DIAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 16018132 UTBITNSBAGNQKW-SNVBAGLBSA-N 316.813 4.441 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)cc1 17055234 DGDBZEBTBOPYQK-OAHLLOKOSA-N 320.367 4.233 0 40 DIAB Cc1cccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 17249968 ZBXUMYAFWZVEAA-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 18177693 ILAFYUFYKNWYJG-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)OCCCO2 19171109 DQMFQCWCBFJFKA-UHFFFAOYSA-N 317.772 4.062 0 40 DIAB CC(C)[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1cccs1 19312187 IVTQFPYNNDIORY-CMPLNLGQSA-N 306.258 4.145 0 40 DIAB Cc1ccccc1N1CCN(C(=O)CCC2CCCCC2)CC1 20418729 TXYPFVGJEWKVQJ-UHFFFAOYSA-N 314.473 4.004 0 40 DIAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 22530555 GSHXTCKCPQODIP-GFCCVEGCSA-N 319.401 4.344 0 40 DIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC=CCC1 25283219 COEUMWLWBXIFLY-WOJBJXKFSA-N 305.421 4.443 0 40 DIAB Cc1cccc(OCc2ccc(C(=O)N3CCCCCC3)o2)c1 28236296 JVWAGBOEDPXNJG-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c(C)o1 30116193 JEGFOMRDUKKBRT-JTQLQIEISA-N 311.303 4.406 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1C 30848871 VJHVWYPRMOTLOQ-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB O=C1CCc2cc(NCc3cccc(Cl)c3Cl)ccc2N1 37123707 AFVXQLNTLJNXOE-UHFFFAOYSA-N 321.207 4.490 0 40 DIAB CCN(C(=O)c1ccoc1)c1nc2cc(Cl)ccc2s1 40474288 GWUOTRZZUQGRPI-UHFFFAOYSA-N 306.774 4.209 0 40 DIAB C[C@H](NCc1cccc(O)c1)c1ccc(Br)cc1 42209364 KFTLUFXUKQBZQD-NSHDSACASA-N 306.203 4.006 0 40 DIAB c1csc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 49168959 ZKSBUMPVSRYXSK-LBPRGKRZSA-N 300.452 4.347 0 40 DIAB biogenic,in-vitro CC(C)(C)c1nnc(NC(=O)c2sccc2C2CC2)s1 49377104 ZLOHVZFCGDCNTA-UHFFFAOYSA-N 307.444 4.027 0 40 DIAB CNc1nc2c(s1)[C@H](c1ccc(C(C)C)cc1)CC(O)=N2 61717496 HEPTXAXQPNQWKM-LBPRGKRZSA-N 301.415 4.432 0 40 DIAB O=C(c1ccc(F)cc1F)c1ccccc1OC(F)(F)F 62773886 HMIGLJDALPXXFP-UHFFFAOYSA-N 302.198 4.094 0 40 DIAB Cc1cc(N[C@@H](c2ccncc2)C(C)C)nc(-c2ccccn2)n1 72948245 QDLZIYGIGZUQHV-GOSISDBHSA-N 319.412 4.051 0 40 DIAB C[C@H](NCc1cccc(O)c1)c1nc(-c2ccccc2)cs1 75134328 GXOCCIUPMOEFGW-ZDUSSCGKSA-N 310.422 4.367 0 40 DIAB Cc1ccccc1NC(=O)N(CCc1cccs1)C1CC1 75154828 PTXLKAAUVIPKID-UHFFFAOYSA-N 300.427 4.296 0 40 DIAB Cc1noc(C)c1CN1CC=C(c2c(C)[nH]c3ccccc23)CC1 80916372 HIZGPQBKJRLGNX-UHFFFAOYSA-N 321.424 4.370 0 40 DIAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 100297149 PUADRQDIQCVJJS-WLVACIMPSA-N 301.474 4.144 0 40 DIAB O=C(OCc1cccs1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 102991533 NNQQGHIOSBWNMN-RBAVJSINSA-N 310.846 4.369 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 118915092 OTTDRBNUMLADAX-JUZSOIIQSA-N 304.474 4.205 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCc1cccc2ccccc12 222853178 UXDGWLGOJLGRQT-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1cccc(Cl)c1 223089134 BJAZIEYFSZXCOG-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Cc1ccc(C)c(OCCNC(=O)Nc2ccc(Cl)cc2)c1 224041287 DNACRSYKGWOSEZ-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB COc1ccc(C(=O)O)cc1COc1ccccc1C(C)C 224225175 RACYQLYFTZKZAB-UHFFFAOYSA-N 300.354 4.096 0 40 DIAB Cc1cccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2N)c1 225178437 WTFWTAPNBKUNIG-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB Cc1nnc(CN[C@@H](Cc2ccccc2)c2ccc(C)c(C)c2)o1 390833276 FMDVHXFCYAJDJI-IBGZPJMESA-N 321.424 4.068 0 40 DIAB Cc1noc(C)c1CSc1nnc2c(C)cc3ccccc3n12 2502424 WNFQYRXNNZMGCV-UHFFFAOYSA-N 324.409 4.088 0 40 DIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)c(F)c1 2514906 FAJDOXARJQPRNX-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB O=C(NCC1CCCCC1)c1cccc(-c2ccc(O)cc2)c1 2622351 GHXRGVSUUCZSMZ-UHFFFAOYSA-N 309.409 4.369 0 40 DIAB CCCCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 3149450 LYWLFWHVTSCUGC-UHFFFAOYSA-N 311.381 4.286 0 40 DIAB biogenic Cc1ccc(F)cc1NC(=O)/C=C/c1ccc(Br)o1 3566342 DLZDDDOAAUGPPN-FNORWQNLSA-N 324.149 4.142 0 40 DIAB O=C(/C=C/c1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 4224127 LMOBPSZYEFCURC-BQYQJAHWSA-N 324.430 4.428 0 40 DIAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 4567680 PYRNXSINFORHRE-HNENSFHCSA-N 310.422 4.478 0 40 DIAB CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1 4946317 JYOCFJAVCCRLHN-LFAQGZIKSA-N 314.425 4.180 0 40 DIAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1cccc(Cl)c1 5034402 CLRLINDGTJFGIE-CMDGGOBGSA-N 311.768 4.311 0 40 DIAB CC(C)c1nn2cc(-c3cccc(Br)c3)nc2s1 5182371 NNQSCCJKFWHTNZ-UHFFFAOYSA-N 322.231 4.344 0 40 DIAB CSc1cccc2sc(NC(=O)Cc3ccccc3)nc12 5299270 GCOYPSNLNRSSNZ-UHFFFAOYSA-N 314.435 4.199 0 40 DIAB Cc1ccccc1-n1c(=S)[nH]c2sc(C)c(C)c2c1=O 6537218 OURXSXYGJAAVQB-UHFFFAOYSA-N 302.424 4.035 0 40 DIAB CCc1ccc2c(c1)sc1ncc(-c3ccccc3)c(=O)n12 6662720 KYTRFLFJKNKTNW-UHFFFAOYSA-N 306.390 4.139 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2C)c1 6963953 QNCVQICYFFKKIC-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB COc1ccc(OCCCc2nc(-c3ccccc3C)no2)cc1 8428319 DPUHFNVCPRPJEU-UHFFFAOYSA-N 324.380 4.065 0 40 DIAB COc1cccc(CNC2CCCC2)c1OCc1ccccc1 8495482 FXPPGNBPEPXFHD-UHFFFAOYSA-N 311.425 4.306 0 40 DIAB COCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 8728899 LPFIXHIFXVESJU-UHFFFAOYSA-N 324.424 4.076 0 40 DIAB c1ccc(-n2cc(CSc3ncnc4sccc34)cn2)cc1 9053939 HBGJZELOTSPCKH-UHFFFAOYSA-N 324.434 4.169 0 40 DIAB Cc1cc(C)cc(NC(=O)CSC[C@H]2CC2(Cl)Cl)c1 9165239 CKWIGJWVXAHLQP-LLVKDONJSA-N 318.269 4.169 0 40 DIAB O=C(CCc1ccco1)Nc1cccc(/C=C/c2ccccn2)c1 9471005 OKFXGLRSTXPTPO-MDZDMXLPSA-N 318.376 4.416 0 40 DIAB CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 12799558 CITDMROAPKHIIE-QKYXUNIQSA-N 323.436 4.456 0 40 DIAB CN(C(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 13010965 FTDIGGYFYSKOSU-UHFFFAOYSA-N 317.392 4.026 0 40 DIAB CC[C@H](C)NC(=O)NCCC(c1ccccc1)c1ccccc1 13745686 POBMGQQOWXHKHG-INIZCTEOSA-N 310.441 4.306 0 40 DIAB O=C(Cc1ccsc1)Nc1ccc(-c2nccs2)cc1 14125339 CTBPMNVVDLLELE-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB CC(C)CC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 14257928 CESRKSDXEYUXQP-UHFFFAOYSA-N 308.381 4.157 0 40 DIAB C[C@@H](NC(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1 15619963 WDZBVVWUUDWNOM-OAHLLOKOSA-N 302.377 4.240 0 40 DIAB Cc1nc2ccccc2nc1-c1nnc(Cc2ccccc2)s1 16265670 GFMWACQVLPIBBK-UHFFFAOYSA-N 318.405 4.048 0 40 DIAB CC(=O)CCc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1 17172425 VZHQZWZGBCNWAD-UHFFFAOYSA-N 315.413 4.039 0 40 DIAB Cc1ccc(-c2nnc([C@H](C)N(C)Cc3cccs3)o2)cc1 23805092 CJNFFRJUOHOSND-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB CC(C)[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1 24136045 KFEXUKWXFBNWNE-OAHLLOKOSA-N 306.768 4.001 0 40 DIAB O=C(CCc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 24613191 NXJBBENAJYBTNV-SFHVURJKSA-N 313.828 4.466 0 40 DIAB CCc1cccc(NC(=O)CNc2ccccc2SC)c1 28663713 HWIWKBYBJZUXKF-UHFFFAOYSA-N 300.427 4.022 0 40 DIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 36776088 LFJHGLBVBZUXOL-OAHLLOKOSA-N 319.408 4.071 0 40 DIAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)o2)cc1 39975813 YKJKBZRSUSFOFE-CQSZACIVSA-N 303.427 4.007 0 40 DIAB CCCOc1ccc([C@H](C)NC(=O)C[C@H]2C=CCC2)cc1OC 48374929 GRZDUJWLKRAHBB-GJZGRUSLSA-N 317.429 4.018 0 40 DIAB CCCCn1nc(C)c(CNCc2ccc(C)s2)c1Cl 61106884 IVFMDTZBWKQPCY-UHFFFAOYSA-N 311.882 4.305 0 40 DIAB COc1c(Cl)cc(NC(=O)c2scnc2C)cc1Cl 69456640 JRJMUDBYZWNVAI-UHFFFAOYSA-N 317.197 4.019 0 40 DIAB C[C@H](SCCCc1ccccc1)C(=O)NCc1cccs1 70858610 BUMAYCYMHJKYPI-AWEZNQCLSA-N 319.495 4.119 0 40 DIAB C[C@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890748 QOLXEOIKOMEGHY-JOYOIKCWSA-N 310.357 4.054 0 40 DIAB CC[C@@H](Nc1ccc(CNC(C)=O)cc1)c1ccc(F)cc1 71915838 UCLLFXXGXDSPPM-GOSISDBHSA-N 300.377 4.025 0 40 DIAB O=C(/C=C/c1cccs1)N1CCC(c2ccsc2)CC1 75157107 RBDQUYNODAFSRE-ONEGZZNKSA-N 303.452 4.229 0 40 DIAB COCCCN(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455994 YXLKPRSFIFOBIH-MRXNPFEDSA-N 323.440 4.055 0 40 DIAB COc1ccc(CC(=O)c2ccc3cc(OC)ccc3c2)cc1 95917125 UNOIFYZVGXQDDS-UHFFFAOYSA-N 306.361 4.282 0 40 DIAB O=C(NCc1ccccc1F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102941896 VVVCRMALIURUAQ-LGBHXNNWSA-N 321.823 4.020 0 40 DIAB Fc1c(F)c(F)c2c(c1F)[C@@H]1[C@H]3[C@H]4[C@H]5[C@@H]3[C@@H]2[C@@]52CC=CC[C@]412 104289910 RMIRWSAILJSANE-PATDFJMISA-N 304.286 4.266 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 224087113 IZIZSIUWJLFWBQ-ZDUSSCGKSA-N 317.816 4.100 0 40 DIAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1C 225071963 IVJRTULEZDOGDV-UHFFFAOYSA-N 319.857 4.479 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N 226266858 AGMQSHSBZXRVOI-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB O=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1F 575609036 NKADPRKAVVZJNX-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB CCOC(=O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)on1 1857793962 FMVNYTSCLNBVEB-UHFFFAOYSA-N 319.666 4.191 0 40 DIAB CC(C)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 315815 IHQBMRXLLIPTNN-BOPFTXTBSA-N 309.340 4.294 0 40 DIAB Cc1cc(C)c(NC(=O)COc2ccccc2Cl)c(C)c1 486857 HKQGDUUJGJKFFA-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=c1oc2cc(Cl)ccc2n1SC(Cl)(Cl)Cl 1668480 RZLDVTPGUNNGTR-UHFFFAOYSA-N 318.996 4.072 0 40 DIAB CC[C@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 3350127 ZZKGVJXDCGELQC-VIFPVBQESA-N 306.258 4.141 0 40 DIAB Cc1csc(N(C(=O)c2cccs2)c2ccccc2)n1 3455860 JBOWRHQINUXQBH-UHFFFAOYSA-N 300.408 4.492 0 40 DIAB Cc1occc1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 4938895 WABMGBGPCOJJNM-UHFFFAOYSA-N 316.773 4.075 0 40 DIAB CC(C)c1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 5452184 IXUHGTQEAIDWLV-GHRIWEEISA-N 316.404 4.464 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NC12CC3CC(CC(C3)C1)C2 5557252 CIMWXWBFMPWXBU-UHFFFAOYSA-N 322.452 4.186 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(-c2cccs2)cc1 6883987 KIDMVQIVABCXOJ-UHFFFAOYSA-N 311.381 4.484 0 40 DIAB Cc1cccc(NC2=NN=C(c3cc(F)ccc3F)CS2)c1 7849877 WDMKJTAENVSYJE-UHFFFAOYSA-N 317.364 4.192 0 40 DIAB COc1ccccc1CNC(=O)c1sc2ccccc2c1C 7956424 AUMODBMAUQKXEQ-UHFFFAOYSA-N 311.406 4.148 0 40 DIAB C[C@@H](NC(=O)Cc1cccs1)c1cccc(C(F)(F)F)c1 9366602 RZMNKMMPHRYXML-SNVBAGLBSA-N 313.344 4.187 0 40 DIAB Cc1cc(C)n(-c2cc(Oc3ccccc3Cl)nc(C)n2)n1 12391552 VEIXGVLBQRIBLB-UHFFFAOYSA-N 314.776 4.033 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]2CCCC[C@@H]21 12607560 AQLJYTBMJVDHTI-LPHOPBHVSA-N 308.425 4.272 0 40 DIAB Cc1ccc(Oc2ccccc2S(=O)(=O)C(F)(F)F)cc1 12948339 XXVIDDPKSMYXTO-UHFFFAOYSA-N 316.300 4.081 0 40 DIAB O=C(CSc1nnc(C2CC2)o1)c1cccc2ccccc12 14182766 KBFMJOHZDBRKKC-UHFFFAOYSA-N 310.378 4.075 0 40 DIAB Cc1cccc(COc2ccccc2C(=O)Nc2ccccn2)c1 22691167 BSIAXORANCZGGV-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB CCc1cc(=O)oc2cc(Oc3ncnc4ccsc34)ccc12 24717128 GITDSHARIPYGAW-UHFFFAOYSA-N 324.361 4.152 0 40 DIAB Cc1ccc(C)c(C(=O)CSc2nccn2-c2ccccc2)c1 26127846 PLGJTCMRJXIEOS-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1 40062005 FCFFHEYQSCYDKA-SNVBAGLBSA-N 314.385 4.128 0 40 DIAB Cc1ccc(CN(C)C(=O)Nc2cccc(OC(F)F)c2)cc1 40120541 FXYWYCVFHSTHGQ-UHFFFAOYSA-N 320.339 4.260 0 40 DIAB Clc1cccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 49169033 OVRBODIQRFMCNG-AWEZNQCLSA-N 311.816 4.206 0 40 DIAB biogenic,in-vitro CCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462062 UMZSVIWJHXFRDY-UHFFFAOYSA-N 316.744 4.202 0 40 DIAB Cc1cc(-n2cnnc2)cc2nc(-c3ccccc3Cl)oc12 73639445 WIKMFNDDSVXZDW-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB O=C(c1ccc(Cl)s1)N1CCC(c2cccs2)CC1 75157022 KXTAVTUQOUNMDL-UHFFFAOYSA-N 311.859 4.483 0 40 DIAB O=C(CSc1ccc(F)cc1F)NC1CCCCCCC1 84344374 RJVHPFINZGTTEI-UHFFFAOYSA-N 313.413 4.286 0 40 DIAB ClC1=C(Cl)CN(c2ncnc3c2oc2ccccc23)CC1 95997007 RIRXMNBJSHVBJH-UHFFFAOYSA-N 320.179 4.275 0 40 DIAB Cc1ccccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219475480 INCYFFIZMOZMPR-INIZCTEOSA-N 317.479 4.377 0 40 DIAB Cc1ccc2n1-c1ccccc1CN=C2COc1ccccc1 225374506 SDZGRORCBRAWRE-UHFFFAOYSA-N 302.377 4.167 0 40 DIAB CCOc1cccc2cc([C@H](C)NCC3(O)CCCCC3)oc12 540595121 NNGXTAXKYWLURT-AWEZNQCLSA-N 317.429 4.177 0 40 DIAB CCSc1ccccc1C(=O)NCC1(c2ccsc2)CC1 1889141269 JWNSZFWUUXHPLS-UHFFFAOYSA-N 317.479 4.322 0 40 DIAB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1 225326 FXZAPECDHLNXCB-IZZDOVSWSA-N 303.155 4.068 0 40 DIAB biogenic Cc1cc(C)c(C(=O)CSc2ccccc2C(=O)O)c(C)c1 240053 IDSYYHDMTOUQTO-UHFFFAOYSA-N 314.406 4.285 0 40 DIAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 2631193 NMHCBVLPUJRWIW-UHFFFAOYSA-N 323.417 4.463 0 40 DIAB Cc1ccc(NCC(=O)Nc2ccc(C)c(F)c2)c(Cl)c1 3421955 MQKBKXSNVKLYLP-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB Cc1ccccc1CSCC(=O)Nc1ccc(F)c(F)c1 3548883 OQRMQJWYGOWWOJ-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB CCc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1 4678470 YGEMQOZGVWSQHW-UHFFFAOYSA-N 309.388 4.401 0 40 DIAB Cc1ccccc1NC1CCN(C(=O)CCC2CCCC2)CC1 4749398 CWJMJOHIKPLQQP-UHFFFAOYSA-N 314.473 4.368 0 40 DIAB Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(C)c1 5267957 JGLIYBKNWHOAAP-GFCCVEGCSA-N 314.454 4.066 0 40 DIAB O=C1c2ccccc2N[C@@H](c2cccs2)N1Cc1ccco1 5689847 FHNAAXALWRODCN-MRXNPFEDSA-N 310.378 4.108 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 5873194 RNUBJZNPLIGDOB-KSSFIOAISA-N 311.450 4.361 0 40 DIAB CCOC(=O)c1c(NC(=O)C2CCCC2)sc2ccccc12 6047478 WWLDZUCVUNWVIC-UHFFFAOYSA-N 317.410 4.207 0 40 DIAB CCn1c(CCn2c3ccccc3c3ccccc32)n[nH]c1=S 6135575 ZVBADQKLRMSUAP-UHFFFAOYSA-N 322.437 4.311 0 40 DIAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 7644574 RLSQFUQDGOVJBH-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB O=C(CNc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 7971659 YNFXSWKCAWRISA-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2nc1C 12372668 QLTRCKARDKMNRT-RRFJBIMHSA-N 309.413 4.011 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)n[nH]2)cc1 14206994 NUNLRUIPYNYLHY-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB Fc1ccccc1CN[C@H](Cc1cccs1)c1nccs1 19349517 DPRFBGDIIXOCLY-OAHLLOKOSA-N 318.442 4.417 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1ccccc1 20158271 UOFWOSJLJJXUPH-LBPRGKRZSA-N 310.372 4.035 0 40 DIAB Cc1ccc(Cn2cc(NC(=O)Nc3ccccc3C)cn2)cc1 27920108 TYEKYGMVJRRJNF-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB CCCn1nccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 28222591 IQVSGXNWMOQYDF-UHFFFAOYSA-N 321.380 4.338 0 40 DIAB C[C@@H](NC(=O)Nc1ccccc1)c1ccc(OC(F)(F)F)cc1 31663478 CDARLJDNLSBKFY-LLVKDONJSA-N 324.302 4.468 0 40 DIAB COc1cccc(COCc2cccc3ccccc23)c1C(=O)O 35973493 OGNIFRCJWNFRKD-UHFFFAOYSA-N 322.360 4.263 0 40 DIAB C[C@@H]1c2ccsc2CCN1Cc1cc(Cl)c2c(c1)OCO2 36741524 XVONTCFAJAALHW-SNVBAGLBSA-N 321.829 4.250 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)NC1CCC(C(F)(F)F)CC1 43266495 GWEKZOLXSDEURA-UHFFFAOYSA-N 322.277 4.207 0 40 DIAB O=Cc1cn(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1 68675304 OILVTLIHTGMWLI-UHFFFAOYSA-N 316.282 4.371 0 40 DIAB Cc1c(Cl)cccc1N1N=C(C(=O)O)C[C@H]1c1ccccc1 71979167 IFFQGCWTHNUVJN-INIZCTEOSA-N 314.772 4.040 0 40 DIAB CCc1ccc([C@H]2CCCCCN2Cc2nnc(C3CC3)o2)o1 89286694 PPRHDSDAMMGJHY-OAHLLOKOSA-N 315.417 4.220 0 40 DIAB Cc1csc(N(C(=O)c2cccc3ccc(C)nc23)C2CC2)n1 89665937 IBDRJHCTJDKNJW-UHFFFAOYSA-N 323.421 4.117 0 40 DIAB CN(Cc1cn(C)nc1-c1ccccc1)c1ccc(F)c(F)c1 95468656 HNXLMDGTMDFXDG-UHFFFAOYSA-N 313.351 4.002 0 40 DIAB COc1ccc(Cl)cc1C(=O)CC1(CC(=O)O)CCCCC1 95634052 HVADTROWBDAHCU-UHFFFAOYSA-N 324.804 4.347 0 40 DIAB Cc1cccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)c1 96137098 SHEDQWGHIMHMRB-CMDGGOBGSA-N 315.438 4.333 0 40 DIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1 113951181 UOCZFXCIPXRQFO-KRWDZBQOSA-N 317.360 4.021 0 40 DIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C)C1 216353333 JMZCDEGPILBSKP-DOMZBBRYSA-N 311.878 4.469 0 40 DIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1 216353373 JMZCDEGPILBSKP-SWLSCSKDSA-N 311.878 4.469 0 40 DIAB Cc1cccc(C)c1OCC(=O)n1c(C)c(C=O)c2ccccc21 218737819 RLUDDWDIUDPHIU-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB CC[Si](CC)(CC)c1c(Cl)cc(C(=O)OC)cc1Cl 219797386 RGLADPMSGSESGD-UHFFFAOYSA-N 319.304 4.496 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)NC[C@@H](C)c1ccccc1 223412259 WYFLVVAKKYTYAG-CVEARBPZSA-N 313.466 4.228 0 40 DIAB CCc1cccc(CC)c1NC(=O)Cc1ccc(OC)c(C)c1 223435483 MOMVPBJILFBUQM-UHFFFAOYSA-N 311.425 4.310 0 40 DIAB Cc1cccc(-c2cnc3n2CCN(Cc2ccc(C)s2)C3)c1 306127363 FWTMLMCMKMTAHC-UHFFFAOYSA-N 323.465 4.244 0 40 DIAB Cc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1 183428 NJLLMLRHULGKCQ-UHFFFAOYSA-N 310.378 4.020 0 40 DIAB CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 218091 JVFRXJMJJBGRRB-UHFFFAOYSA-N 305.830 4.382 0 40 DIAB COc1ccc2c(Cl)c(C(=O)N3CCC(C)CC3)sc2c1 586906 LHUKNECXNQTAGA-UHFFFAOYSA-N 323.845 4.435 0 40 DIAB O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)Oc2ccccc21 3190166 UIDSZOPMTCYTPP-HXUWFJFHSA-N 317.344 4.300 0 40 DIAB CCOc1ccccc1NCC(=O)Nc1ccc(C)cc1Cl 3412003 SVEGNBDKSXHLBZ-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@H]12 4081136 KAYYIYDHRSEWHR-GXMZCPKZSA-N 320.473 4.091 0 40 DIAB biogenic CCc1cccc2sc(NC(=O)c3ccccc3F)nc12 4348605 WIPWBZRFUBMLTP-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB CCCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C(C)C 4982553 DASNBNNODLPOCR-UHFFFAOYSA-N 317.458 4.445 0 40 DIAB CCn1c(SC/C=C\c2ccccc2)nnc1-c1ccncc1 6356524 CHFMRUPUDYJYLU-TWGQIWQCSA-N 322.437 4.166 0 40 DIAB CC[C@H](C)[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 6657794 IHKFANIBBSIACI-GUYCJALGSA-N 307.397 4.331 0 40 DIAB Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 6732858 YCBLEYBNLWCFLO-UHFFFAOYSA-N 300.365 4.448 0 40 DIAB CC[C@@H](C)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 7305793 MCAOELKIXCXSQQ-BEFAXECRSA-N 311.425 4.141 0 40 DIAB Fc1ccc(CNC(=S)Nc2ccc3ccccc3c2)cc1 7350824 DZUAFWATEIPGNC-UHFFFAOYSA-N 310.397 4.466 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OC 7950820 JUGPOPBYLSOGJD-UHFFFAOYSA-N 313.397 4.046 0 40 DIAB c1coc(-c2cnc(NCc3ccncc3)nc2-c2ccco2)c1 12144356 LAKNMLGGHFJXMR-UHFFFAOYSA-N 318.336 4.004 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 13994888 HEXWJVYAUZTAPQ-INIZCTEOSA-N 313.397 4.190 0 40 DIAB O=C(Nc1nccs1)c1cccc(OCc2cccs2)c1 32914066 QOGWKJVIHIMMBX-UHFFFAOYSA-N 316.407 4.036 0 40 DIAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 39975812 YKJKBZRSUSFOFE-AWEZNQCLSA-N 303.427 4.007 0 40 DIAB Cc1ccc(NC(=O)CCc2csc(-c3ccncc3)n2)cc1 41182981 MAXWRZRNLABNEE-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CSc1ccccc1C(=O)NCc1ccc2ccccc2c1 45200990 SUZLRAXTVDWWSZ-UHFFFAOYSA-N 307.418 4.492 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(OC(F)F)c1 45950684 GRZKXSYWGIJRQC-SNVBAGLBSA-N 324.302 4.310 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2c(C)cccc2C)cc1 51354270 BNDWBPYFQLHYHV-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB CN(Cc1cscn1)C(=O)c1ccccc1Nc1ccccc1 58420884 FUCPVRBEJHRZIZ-UHFFFAOYSA-N 323.421 4.159 0 40 DIAB COC(=O)c1ccc(C)c(NC(=O)Nc2ccc(Cl)cc2)c1 59232830 CWLWGQUMINUVQY-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB CCOC(=O)c1cc2c(C)c(NC(=O)OC(C)(C)C)ccc2[nH]1 66346218 VHOJXXLBSGBYMY-UHFFFAOYSA-N 318.373 4.000 0 40 DIAB CSc1cccc(NC(=S)Nc2ccc(F)c(F)c2)c1 71761346 FOPGGWNFLXKPIF-UHFFFAOYSA-N 310.394 4.496 0 40 DIAB Cc1nccn1-c1cccc(C2CCN(C3CCCCC3)CC2)n1 72379148 MAPHSCOIOXUWHV-UHFFFAOYSA-N 324.472 4.088 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 78457941 MXJNMNGWTNGTBZ-JKSUJKDBSA-N 311.425 4.202 0 40 DIAB O=C(c1ccccc1OC(F)(F)F)c1c(F)cc(F)cc1F 95917435 IZOBZKUTBVENSJ-UHFFFAOYSA-N 320.188 4.234 0 40 DIAB CCC[C@]1(C(F)(F)F)CCCN1Cc1ccc(OC)c(O)c1 97032758 OQHMKPLSJGMCGA-OAHLLOKOSA-N 317.351 4.098 0 40 DIAB CCCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 102947189 HTINKADYTIPQGV-AMZMEHNNSA-N 311.469 4.441 0 40 DIAB CCCn1c2ccccc2n2c(SCc3ccccc3)nnc12 111855946 ZVUWYSOCVBMYCS-UHFFFAOYSA-N 322.437 4.386 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)CCc1nc2ccccc2o1 224948102 SZIHZGJICUVQPK-UHFFFAOYSA-N 302.418 4.091 0 40 DIAB CCC(C)(C)NC(=O)CSCc1ccc(Cl)cc1F 225807428 LZWFNHQNMDOTIU-UHFFFAOYSA-N 303.830 4.017 0 40 DIAB O=C(NCCc1ccc(-c2ccoc2)s1)[C@@H]1CC=CCC1 390831461 SAUCLOASZKJZMV-CYBMUJFWSA-N 301.411 4.023 0 40 DIAB CCn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 409099409 SCYXEHOARPQVEF-UHFFFAOYSA-N 316.817 4.165 0 40 DIAB Cc1cc(C)cc(C2=CCN([C@@H](C(=O)O)c3ccccc3)CC2)c1 568402495 KVDARNXOCMUFAL-HXUWFJFHSA-N 321.420 4.218 0 40 DIAB c1ccc(CC2CCN(c3nc4cccnc4s3)CC2)cc1 583648302 QTRFWGPKWIKOGN-UHFFFAOYSA-N 309.438 4.150 0 40 DIAB CCN(CC)[C@@H](C)[C@@H](O)c1cc2c(c3ccccc13)CCCC2 1687281 OJOOGONWKGNBDZ-YCRPNKLZSA-N 311.469 4.482 0 40 DIAB CCOc1ccc2nc(SCC(=O)c3ccco3)sc2c1 3217756 PUKHNWKHZGOGKN-UHFFFAOYSA-N 319.407 4.263 0 40 DIAB CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1OCC 3282382 JRDPKNJOIVRYMK-CSKARUKUSA-N 317.410 4.197 0 40 DIAB CCCN(CCC)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5468176 GTFJIKDAYAAWIH-LLVKDONJSA-N 318.244 4.409 0 40 DIAB CCCCN1C(=O)S/C(=C\c2cn(C)c3ccccc23)C1=O 6569779 VGNUDUVBQWAGBN-GDNBJRDFSA-N 314.410 4.015 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 6811207 BTLLCEMKQITZBL-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1Cl 9316966 RQFWLMQAEJQVAO-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccccc1 9896733 JXUGXIHWZPUJFK-HXUWFJFHSA-N 316.404 4.455 0 40 DIAB Cc1ccccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 11287745 OZUFEPICEVXWQB-LJQANCHMSA-N 323.436 4.493 0 40 DIAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1CCc1ccccc1 13688265 ZBOJBBVVBRWXGZ-DSKINZAPSA-N 319.448 4.390 0 40 DIAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)NC2CCCC2)c1C 21327061 UZPBOKVUHDUZJB-OAHLLOKOSA-N 305.487 4.460 0 40 DIAB CCn1c(C)cc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1C 23184608 CSUZZKZVSIIXQN-IBGZPJMESA-N 310.441 4.274 0 40 DIAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 27384530 IOIXDUIRQMRICC-UHFFFAOYSA-N 323.373 4.220 0 40 DIAB CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 32784333 CGDCKAHFICPCLW-UHFFFAOYSA-N 322.452 4.360 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 36387475 KCZCIYZKSLLNNH-KRYVOJAFSA-N 322.876 4.446 0 40 DIAB biogenic CCOC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 58167027 ARXPSBBFJFJESV-UHFFFAOYSA-N 311.312 4.324 0 40 DIAB O=[S@@](Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 58289489 VUNNQWPUWVYGQH-OAQYLSRUSA-N 316.319 4.293 0 40 DIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 58393156 LKYUAUFZPFYKFQ-GBESFXJTSA-N 321.420 4.162 0 40 DIAB O=C(C1CC=CC1)N1CCCCc2c(Br)cccc21 96009678 BGXMCWMOYXTLTK-UHFFFAOYSA-N 320.230 4.085 0 40 DIAB CC[C@@](CNC(=O)Nc1ccccc1C)(OC)c1ccccc1 96123818 YZBCWKKQIFAOOR-IBGZPJMESA-N 312.413 4.068 0 40 DIAB COc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1 100980794 ZMSVPVHDCAQIMV-YVVLLZSASA-N 313.441 4.174 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1cccs1 223316006 QKPHQIKWBAKALP-OAHLLOKOSA-N 315.438 4.018 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2)cc1 224019512 JZKCAHQVFVBLSE-BEFAXECRSA-N 311.425 4.284 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1=CCCCC1 224283437 IICWDBLBZQRCJL-OAHLLOKOSA-N 309.409 4.224 0 40 DIAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCCC1 225707577 CZTCEDYGLKECRO-HNNXBMFYSA-N 319.445 4.460 0 40 DIAB C[C@H](NC(=O)c1ccc2nc(Cl)sc2c1)c1ccccc1 225977398 PLMRXFFRNCQQOC-JTQLQIEISA-N 316.813 4.441 0 40 DIAB Cc1nc([C@H]2CCCCN2C(=O)OC(C)(C)C)c2sccn12 257297918 RJIHWPNKSQEKLV-GFCCVEGCSA-N 321.446 4.166 0 40 DIAB CC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267990 MADSTIMKHBTMDS-LIRRHRJNSA-N 323.392 4.038 0 40 DIAB c1cncc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1 520072 BPGAULGRSPDIQV-UHFFFAOYSA-N 304.397 4.072 0 40 DIAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 531169 RTUSQVCJDHMCNR-UHFFFAOYSA-N 324.409 4.410 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 579776 CDMZBCBVXSXGCA-LLVKDONJSA-N 324.207 4.077 0 40 DIAB COc1ccc(C)cc1NC(=O)COc1ccc2ccccc2c1 2627572 MPJWZXYRPJKQMT-UHFFFAOYSA-N 321.376 4.174 0 40 DIAB Cc1ccccc1Nc1nnc(SC[C@@H]2CCCCO2)s1 2637005 WWZSUUWEGNXGHP-LBPRGKRZSA-N 321.471 4.251 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2ncsc2c1 3318134 WOYKBUZHOHTEJZ-HNNXBMFYSA-N 308.406 4.104 0 40 DIAB Fc1ccc(Sc2ncnc3sc4c(c23)CCC4)cc1 3453517 GQYCIHWEQAJKSZ-UHFFFAOYSA-N 302.399 4.470 0 40 DIAB CCc1ccc(CCC(=O)Nc2nc3ccccc3s2)o1 4539852 FVDZCRUKKDPIJV-UHFFFAOYSA-N 300.383 4.023 0 40 DIAB Cc1nc2n(Cc3ccc(C(C)(C)C)cc3)c3ccccc3n2n1 4913588 AUUIHAXCADCFIP-UHFFFAOYSA-N 318.424 4.338 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nccn1C 5359367 BCAAUHQOEMKKLA-QWHCGFSZSA-N 317.458 4.053 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 6231876 JOMYYBNDOIXYHU-RTBURBONSA-N 309.409 4.038 0 40 DIAB CSc1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c1 8024558 DEBUHFLWVOBJQE-CYBMUJFWSA-N 300.427 4.156 0 40 DIAB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@@H]1CCCCCCCC(=O)O 8579972 LAIUZQCFIABNDP-HZMVEIRTSA-N 312.450 4.307 0 40 DIAB biogenic,in-vitro CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1 9659953 SDRBAOCSRQXOBG-UHFFFAOYSA-N 321.376 4.445 0 40 DIAB biogenic COc1cccc(NC(=O)[C@@H](C)Nc2cccc3ccccc23)c1 12561217 HRTJTDVINYPVSH-CQSZACIVSA-N 320.392 4.288 0 40 DIAB OC(c1ccccc1)(c1ccccc1)[C@H]1C[C@H]1c1ccncc1 12875914 KPUSUIKQQCFQCX-PMACEKPBSA-N 301.389 4.121 0 40 DIAB in-man Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 15317539 PEIHNQRZVVOOEE-GFCCVEGCSA-N 321.323 4.002 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1F 15565712 DLSVMECSOXDODU-UHFFFAOYSA-N 322.383 4.321 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1C 15835438 QSSFHLGYBULGQY-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB CCN(CC)c1ccc(NCCOc2ccc(OC)cc2)cc1 19738573 FADQZYOOQHKADR-UHFFFAOYSA-N 314.429 4.032 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)c(C)c1 20048236 RPMSJSQSLQZUEG-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 22513270 ZUDPYURFYMOZKD-QGZVFWFLSA-N 311.425 4.004 0 40 DIAB Cc1cccc(NC(=O)CSCc2ccccc2F)c1C 23410825 XITMKBJACBECFK-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB CCc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 27662304 XZCQBFVCVQGARW-UHFFFAOYSA-N 316.404 4.491 0 40 DIAB O=C(c1cc2ccccc2s1)N1CCO[C@@H](c2ccccc2)C1 30765930 IZUBVEOYLZENGJ-MRXNPFEDSA-N 323.417 4.115 0 40 DIAB Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 32501682 ZRMRYZGHJXPIKC-UHFFFAOYSA-N 319.286 4.142 0 40 DIAB c1ccc2c(c1)SCC[C@@H]2NCc1ccc(-n2ccnc2)cc1 32735859 RIOQZDDVGMOIMD-SFHVURJKSA-N 321.449 4.199 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 38833387 NTCYHJWWOQSGPU-IBGZPJMESA-N 322.452 4.154 0 40 DIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1c1ccncc1 40525628 COYMEXACZIVVPP-MRXNPFEDSA-N 315.804 4.412 0 40 DIAB O=c1c(Cl)cc(Sc2ccccc2)nn1-c1ccccc1 41104840 SNNXJVOXIPLWQY-UHFFFAOYSA-N 314.797 4.037 0 40 DIAB CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1 56358724 PPYIFUZVLGCPDQ-UHFFFAOYSA-N 303.793 4.178 0 40 DIAB COc1ccc2cc(/C=C3/SC(=S)N=C3O)ccc2c1 56687087 KZTUXSWVROHDIU-NTUHNPAUSA-N 301.392 4.178 0 40 DIAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1C 58417666 VWXMVKUVNWXIDM-KRWDZBQOSA-N 323.392 4.009 0 40 DIAB CC(C)N(C(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 59339751 ADCBSFBZHIIYQD-UHFFFAOYSA-N 309.196 4.444 0 40 DIAB N[C@H](c1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 61703477 JNFAIWNLYMWALH-CYBMUJFWSA-N 301.695 4.287 0 40 DIAB CC[C@H](C)Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72213518 SCFOKPYATPPPAT-MAUKXSAKSA-N 323.440 4.269 0 40 DIAB Clc1ccc(CN2CCC(Cn3cccn3)CC2)cc1Cl 75154706 SKMATLBNPCECNW-UHFFFAOYSA-N 324.255 4.102 0 40 DIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc[nH]c1C 95440393 AHQLYVFVBWUCPY-GFCCVEGCSA-N 305.447 4.045 0 40 DIAB Cc1ccc([C@H](O)c2ccccc2Br)cc1Cl 95730139 ZTWOFNUZKMIUOL-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CCC(=O)Nc1ccc(C)c(NC2CCN(C(C)(C)C)CC2)c1 97037011 YPJBEVTTZACDIH-UHFFFAOYSA-N 317.477 4.018 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223230625 WKBFSDCDFRNJMZ-HNNXBMFYSA-N 323.436 4.454 0 40 DIAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1Cl 223230846 PGJKLINOUAGAHU-UHFFFAOYSA-N 303.789 4.011 0 40 DIAB CC(C)c1ccccc1O[C@@H](Cc1ccccc1F)C(=O)O 225051244 JSIRLSVIMSSAQT-KRWDZBQOSA-N 302.345 4.024 0 40 DIAB Cc1c(Cl)cccc1Nc1ccc(C(=O)NC(C)C)cc1N 225425443 OGCRXPYOMPCYEQ-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CC(C)N1CCC(C)(c2ncc(Cc3ccccc3F)o2)CC1 257226342 FKHDVPSBONKURP-UHFFFAOYSA-N 316.420 4.166 0 40 DIAB Clc1ccc(OCCCOc2ccc3cncnc3c2)cc1 540039788 WHCUWIUQOZNQCK-UHFFFAOYSA-N 314.772 4.131 0 40 DIAB C[C@@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2554950 YWYQTGBBEZQBGO-LUZKKCDOSA-N 320.517 4.387 0 40 DIAB biogenic Cc1cccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)c1 3277788 WXTNYUXBPDHFBQ-UHFFFAOYSA-N 302.424 4.035 0 40 DIAB CCC(CC)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4072375 UWPLZFBYFQTFEF-UHFFFAOYSA-N 309.822 4.233 0 40 DIAB COc1cccc(C(=O)Nc2ccc3sccc3c2)c1OC 4479357 FEUXKDPSAZSJCF-UHFFFAOYSA-N 313.378 4.171 0 40 DIAB CN1O[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 4692051 VQENKECTAMDLLE-XUVXKRRUSA-N 323.436 4.349 0 40 DIAB CC(C)COC(=O)Nc1nnc(SCc2ccccc2)s1 4694998 BCLFXLRQCBVOEQ-UHFFFAOYSA-N 323.443 4.035 0 40 DIAB COc1ccc(C(=O)C2=C[C@H]3Cc4ccccc4[C@H]3C=C2)cc1 5744419 FCOIQWUHJQIHKB-XLIONFOSSA-N 302.373 4.330 0 40 DIAB Cc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1C 6340033 UHTUSOJIKUNPBN-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 7402298 FNGPOCXYRUPWEI-LBPRGKRZSA-N 307.390 4.140 0 40 DIAB CCOCCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 7539771 NXKIYPNWVUFSKC-UHFFFAOYSA-N 311.784 4.255 0 40 DIAB COc1ccc(C)cc1NC(=O)CSc1ccc(F)cc1F 7921013 SXWGCIRVDABQLW-UHFFFAOYSA-N 323.364 4.013 0 40 DIAB Cc1cccc(C)c1NC(=O)CNc1cccc(C(F)(F)F)c1 7955805 BXOWKEFFLJCCOJ-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB CC(C)c1nnc(NC(=O)c2cc3ccccc3s2)s1 9315930 BFFPNYLSPDUOEJ-UHFFFAOYSA-N 303.412 4.129 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl 12538671 OGSXKFHBSZQWKF-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(F)cc1 14230039 NXYIHUUFTJXEPG-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 14292011 NIISLOBIZDMSBT-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)c(F)c1 15541964 SKNKCBNGOLGIDK-INIZCTEOSA-N 321.754 4.499 0 40 DIAB C[C@@H]1CCCN(P(c2ccccc2)N2CCC[C@@H](C)C2)C1 16911673 RTEVWEPQWAUGNR-IAGOWNOFSA-N 304.418 4.088 0 40 DIAB CC[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 21705727 VXZDRBKXOKADMB-AWEZNQCLSA-N 300.402 4.030 0 40 DIAB CCc1noc(C)c1C(=O)Nc1ccc(N(CC)C(C)C)cc1 23030269 UFUYYUUUJBJJRM-UHFFFAOYSA-N 315.417 4.032 0 40 DIAB O=C(Nc1ccccn1)c1cc(-c2ccco2)nc2ccccc12 32096275 AHGOAZBMLOISBT-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB Cc1nn(C)c2c1[C@@H](c1cccc3ccccc13)SCC(O)=N2 49550230 JZZNKOIYGRQYGG-QGZVFWFLSA-N 323.421 4.306 0 40 DIAB CC(C)Cc1noc(CN(C)[C@H](C)c2ccccc2Cl)n1 52162661 CFFLMLBJRMWOIY-GFCCVEGCSA-N 307.825 4.115 0 40 DIAB O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 57351512 NHGKLANUQOSONJ-UHFFFAOYSA-N 320.723 4.177 0 40 DIAB CC(=O)N(C)c1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1 71902617 DSGZPCYLFBFCSD-NSHDSACASA-N 304.340 4.121 0 40 DIAB CCOc1ccc(N[C@@H](C)c2cc(F)ccc2F)cc1CO 71948206 JMIUINWMLYDNBR-NSHDSACASA-N 307.340 4.029 0 40 DIAB CCCCN1CCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219226 NHKYDWRJVUCWEX-SFHVURJKSA-N 301.478 4.317 0 40 DIAB COc1ccc(OC)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 72221894 OSVADECRVZXKQS-HNNXBMFYSA-N 321.417 4.166 0 40 DIAB CCOc1cccc2c(Nc3ccc(C(=O)O)cc3)ccnc12 72237114 LIFHXUBNDVVKMK-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C)cn1 84071446 LRJQHXOIAUVPBL-UHFFFAOYSA-N 306.818 4.408 0 40 DIAB CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cnccc1C 95950620 GSPMQCASRDAACE-KRWDZBQOSA-N 312.413 4.310 0 40 DIAB O=C(CCc1ccccc1F)N1CCC(c2ccsc2)CC1 96120615 LKYMWGYEOOFQIM-UHFFFAOYSA-N 317.429 4.226 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 96761805 KNFIABKLMCSFAA-UHFFFAOYSA-N 302.805 4.483 0 40 DIAB CC(C)Cc1nnc([C@@H](C)Sc2nncc3ccccc23)o1 97377692 ZAUBCEGUURVIRL-LLVKDONJSA-N 314.414 4.065 0 40 DIAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(=S)[nH]c2ccccc2c1=O 105873532 SBNKCZCJWMFYKY-ZJQBRPOHSA-N 300.427 4.056 0 40 DIAB Cc1ccccc1[C@H]1CCN(C(=O)c2cccs2)CCS1 219280583 NRMMTBXACXJGNV-OAHLLOKOSA-N 317.479 4.377 0 40 DIAB Cc1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(C)c1 222815238 QLKALIADWDGRNR-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)cc1C 225394994 JEWPEMATBPZUAT-QGZVFWFLSA-N 315.388 4.332 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OCC)c(C)c2)CCCCC1 225657802 GVKFRSNNTKCXCA-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB Cc1ccc(NC(=S)NCCCc2ccco2)cc1Cl 225804694 VVULSUBEFAWLRU-UHFFFAOYSA-N 308.834 4.161 0 40 DIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C1=O 245232186 QDUOONWQMKZMFZ-RWQQGDIJSA-N 321.420 4.011 0 40 DIAB CCCCOCc1nn(C2CCCC2)cc1Br 408717296 YBAZPXZKQRRDTQ-UHFFFAOYSA-N 301.228 4.077 0 40 DIAB Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 61476 ZGCAGXCKBMZGKQ-LBPRGKRZSA-N 324.449 4.189 0 40 DIAB CC1CCC2(CC1)SCC(=O)N2c1ccc(F)c(Cl)c1 381843 YFLXUMDQTDUOFB-UHFFFAOYSA-N 313.825 4.465 0 40 DIAB CCc1cc2c(Sc3nc4ccccc4[nH]3)ncnc2s1 524208 JERMOQNJLJHILS-UHFFFAOYSA-N 312.423 4.281 0 40 DIAB COc1ccc(N2C(=O)c3ccccc3NC23CCCC3)cc1 3353249 GPFXAXIDOYTPCR-UHFFFAOYSA-N 308.381 4.038 0 40 DIAB COc1ccc(OC(=O)c2ccc(F)cc2F)c(C(C)(C)C)c1 3373989 BJHJTMORJALKJG-UHFFFAOYSA-N 320.335 4.490 0 40 DIAB O=Cc1cccc2c1[C@@H]1c3ccccc3[C@H]2c2c(C=O)cccc21 4557433 SAXUUZKIYGOXMA-FGZHOGPDSA-N 310.352 4.299 0 40 DIAB C[C@H](NC1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 5254748 ZNSMSWDLNQNJIQ-JXFKEZNVSA-N 323.436 4.274 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1nc2c(s1)Cc1ccccc1-2 5268391 HBBCHGGONCUYBC-UHFFFAOYSA-N 324.380 4.035 0 40 DIAB COc1ccc(-c2ccnc(SC(=O)c3ccccc3)n2)cc1 5675969 QQXFYQNASPNNFN-UHFFFAOYSA-N 322.389 4.085 0 40 DIAB COc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1 6602998 ZYKOBPNQNWRTTE-UHFFFAOYSA-N 321.420 4.189 0 40 DIAB COc1cc2c(cc1NC(=O)c1cc(C)no1)oc1ccccc12 6789179 UEYCZGIEBNVLRN-UHFFFAOYSA-N 322.320 4.143 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccccc1F 7571022 BMLUCPACRWEAIM-ZDUSSCGKSA-N 302.418 4.133 0 40 DIAB Cc1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 8007242 LBEKOQAKCFDIMW-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OC 8253686 KEWJMRGYHWERCM-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccccc2F)o1 8304392 NPOPVVCXPGWDCR-DOMZBBRYSA-N 301.361 4.394 0 40 DIAB Cc1nc2nc3ccccc3n2c(O)c1Cc1cccc(Cl)c1 9060503 KWJAJRHPNGZERE-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB O=C(NC1CCCCCC1)C1(c2cccc(F)c2)CCCC1 9378022 UXMSZNDDJWERTR-UHFFFAOYSA-N 303.421 4.477 0 40 DIAB Cc1ccc(C)c(OCC(=O)Nc2cccc(OC(C)C)c2)c1 10715453 ZISACOSLDYGTNJ-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB Cc1cccnc1NC(=O)c1sc(-c2ccccc2)nc1C 12558430 OEJIQRLNDQXLHN-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCCCOc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1 14041539 PUMNWKYJMSONSL-UHFFFAOYSA-N 311.381 4.320 0 40 DIAB CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1 14219610 SXIYKKYQUSQFII-KRWDZBQOSA-N 317.454 4.041 0 40 DIAB COc1ccccc1OC(=O)Cc1c(C)nc2ccccc2c1C 14471867 VVBZGCJPTDDVHO-UHFFFAOYSA-N 321.376 4.008 0 40 DIAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(F)cc1 14738420 UREHOTWYNXOXIP-AWEZNQCLSA-N 323.367 4.235 0 40 DIAB CN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl 15249198 KLYAMDBUBSSJDR-CQSZACIVSA-N 307.180 4.190 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2Cl)s1 19927553 WIPLTNZIKSDHEK-RNCFNFMXSA-N 324.858 4.272 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCCc2ccccc21 20110701 OTXGJHZVCFJCLA-LJQANCHMSA-N 323.436 4.440 0 40 DIAB Cc1c(NC(=O)c2ccc3ccccc3c2)cccc1C(=O)O 20139115 NCIHDKWAOCWEKF-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(F)c1 22523256 ZHHLTBHCCUOSPM-CYBMUJFWSA-N 301.361 4.355 0 40 DIAB Cc1nc2cc(NC(=O)CCc3ccccc3Cl)ccc2o1 28307377 QVBYXFCROXTFDM-UHFFFAOYSA-N 314.772 4.361 0 40 DIAB CC(C)Oc1ccc(NC(=O)Cc2cccs2)cc1Cl 31957060 UWZAHIACZDIUKV-UHFFFAOYSA-N 309.818 4.370 0 40 DIAB CCn1c(SCc2cccs2)nnc1-c1ccccc1 32604442 YMMNHKOHIWJMJM-UHFFFAOYSA-N 301.440 4.319 0 40 DIAB COc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1F 32825910 WLJITOSTAVDWMQ-UHFFFAOYSA-N 320.414 4.314 0 40 DIAB CC[C@H]1CCCN(C(=O)Nc2ccccc2Br)C1 40095173 FRBGXUDMBOLVDN-NSHDSACASA-N 311.223 4.103 0 40 DIAB CCCc1ccc([C@H](O)c2cccc(Br)c2)cc1 40255786 IRSJFBWTJKEUNX-INIZCTEOSA-N 305.215 4.483 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478247 XBXULTSXAJCKCI-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccccc1 44844540 IVDXMZCRBJYYID-LJQANCHMSA-N 311.425 4.119 0 40 DIAB COc1ccc(CN(c2nc3ccccc3s2)C2CC2)cc1 57877545 QSFIHTJSZKXMOX-UHFFFAOYSA-N 310.422 4.474 0 40 DIAB Nc1nc(Cl)cc(Nc2cccc(Nc3ccccc3)c2)n1 58620845 JHCJWUKLTJJEIF-UHFFFAOYSA-N 311.776 4.199 0 40 DIAB CN(CCc1ccc2c(Cl)ccc(O)c2n1)C1CCCCC1 59474706 GQXCVQDVFCZAAF-UHFFFAOYSA-N 318.848 4.401 0 40 DIAB O=[S@@](Cc1csc(C2CCCC2)n1)Cc1ccccc1F 69816316 XQXNZSWCMRSJBU-NRFANRHFSA-N 323.458 4.389 0 40 DIAB O=C1c2ccccc2N[C@H](/C(Cl)=C\c2ccccc2)N1C1CC1 96794972 PFJUFFWDEKFBNW-QIPRVMPFSA-N 324.811 4.323 0 40 DIAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 113951836 XVSGLDVTDFJDGI-KRWDZBQOSA-N 301.361 4.184 0 40 DIAB COc1ccc(Cl)c(NC(=O)Nc2ccc(O)cc2C)c1 189845857 QGKAAXYMFMQLBJ-UHFFFAOYSA-N 306.749 4.007 0 40 DIAB Cc1ccc2nc(Cc3ccccc3Br)oc2c1 228953580 PBPYEBFMILYOJT-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB CC[C@H](C(=O)NCc1ccc(-c2ccoc2)o1)c1ccccc1 575610454 NGYZGJRLMQYTFT-KRWDZBQOSA-N 309.365 4.350 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1 137605 VXOJBDZXJQFGSL-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1 279011 YQWNYUYDIRXFQN-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1 311603 FMQAOURIZKGMLX-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB Cc1ccc(-n2cnc3cc(NC(=O)c4ccco4)ccc32)cc1 350241 BXWSVCXHJSYUOX-UHFFFAOYSA-N 317.348 4.179 0 40 DIAB Cc1ccc(OC(=O)c2cnn(-c3ccccc3)c2C)cc1C 385352 SUBWWMILQQVJSQ-UHFFFAOYSA-N 306.365 4.017 0 40 DIAB CCc1ccc(OCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 413620 JVIGFJJWSSQXSC-UHFFFAOYSA-N 318.442 4.021 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 516079 UAMTXZZYSOWOPB-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB Cc1ccc(-c2cn3cc(Br)ccc3n2)cc1C 1291508 DXYCHAQFCQHBDN-UHFFFAOYSA-N 301.187 4.381 0 40 DIAB COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1397607 CKTVCXZZWVAHDP-HNNXBMFYSA-N 320.747 4.009 0 40 DIAB COc1ccc(-c2csc(NC3CCCC3)n2)c(OC)c1 3326928 VADSEOLLDFKJCD-UHFFFAOYSA-N 304.415 4.182 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1C 3548494 XKQWNRMGAFCYIG-AWEZNQCLSA-N 315.438 4.264 0 40 DIAB O=C(CSc1nc2ccccc2o1)c1c[nH]c2ccccc12 3571283 MCKDCDQKFRPKOV-UHFFFAOYSA-N 308.362 4.284 0 40 DIAB CCn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21 3772343 RLLBDCJDAQHVIL-UHFFFAOYSA-N 317.436 4.475 0 40 DIAB CSc1ccc(C(=O)c2cccc(Br)c2)cc1 4241961 QODWEMIHVHUNFU-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)n1 4663386 HHZJIGACBACSGV-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB CC(=O)Oc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 5378995 OALSVYBAOKDBIY-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB CC(=O)[C@](CCc1ccccc1)(CCN(C)C)c1ccccc1 5883881 HIGLEGFIFRRHOW-NRFANRHFSA-N 309.453 4.098 0 40 DIAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 6140394 FDJRDTFSTIPJJF-UHFFFAOYSA-N 315.829 4.428 0 40 DIAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccncc2)cc1 7884810 UVACRXIRDAHAFD-LJQANCHMSA-N 315.376 4.161 0 40 DIAB CSc1cccc(NC(=O)CSc2ccccc2C)c1 8275189 WFCYZRUQGLUEMU-UHFFFAOYSA-N 303.452 4.448 0 40 DIAB O=C(/C=C/c1ccco1)OCn1c(=S)sc2ccccc21 9667826 KEPWEPHKRMSYLN-BQYQJAHWSA-N 317.391 4.239 0 40 DIAB CCc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)cc1 10715459 NMEAIMARPOFUCB-UHFFFAOYSA-N 313.397 4.054 0 40 DIAB c1csc(-c2nnc(SCc3nc4ccccc4o3)o2)c1 11145213 AMNBJMGCMOYLGQ-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C)ccc1C 14573261 QHKXRLGCBQJQJZ-APWZRJJASA-N 311.425 4.338 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)C2CCCCC2)c1 20112769 PNAQNISHAXCODS-INIZCTEOSA-N 303.446 4.170 0 40 DIAB Nc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc1 22119826 GOKXZKCLTPBIHO-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB COc1ccccc1-c1nnc(SCc2cccc(F)c2)o1 22714705 BRBYCDIKPHEUBX-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(C2CC2)cs1 25559867 QFEGLIISUWIQPZ-UHFFFAOYSA-N 311.410 4.073 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1 27925315 MKUHRZVNMXZTQL-UHFFFAOYSA-N 302.374 4.012 0 40 DIAB Cc1nc2cc(NC(=O)CCCc3cccs3)ccc2o1 28324697 VLGGNENBOHULGI-UHFFFAOYSA-N 300.383 4.159 0 40 DIAB CSc1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1 30643114 VWSCOKBMFPUGKW-SFHVURJKSA-N 323.465 4.021 0 40 DIAB Cc1ccccc1CSc1nc(C)c(C)n1C[C@@H]1CCCO1 39973599 CLACMWAWBHWNTE-KRWDZBQOSA-N 316.470 4.280 0 40 DIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCC1 47829828 WLSUGABRGHVBEL-UHFFFAOYSA-N 306.715 4.423 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)c(F)c1 53515504 CGVFLCLNPPTNKN-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB Cc1nc2ccc(C(=O)Nc3cccc4c3ccn4C)cc2s1 71285677 VMNQFOLBBWNGDS-UHFFFAOYSA-N 321.405 4.349 0 40 DIAB CCCCC(=O)Oc1cc(NC(=O)OC(C)(C)C)ccc1C 95455879 JHPGFKSEJHQSCI-UHFFFAOYSA-N 307.390 4.438 0 40 DIAB Cc1nnc(CS[C@H]2CCc3c(F)ccc(F)c32)n1C1CC1 95459955 FPPLFPSXVQYOFG-AWEZNQCLSA-N 321.396 4.120 0 40 DIAB O[C@@H](CN[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1 95462853 IBEIWNMJNNKDNT-PMACEKPBSA-N 310.441 4.026 0 40 DIAB Brc1ccc(-c2csc(Br)n2)cc1 95751621 WIHGWLVPWHPMIF-UHFFFAOYSA-N 319.021 4.335 0 40 DIAB O=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951714 KRJQERWTNABLPQ-KCZVDYSFSA-N 319.448 4.414 0 40 DIAB biogenic Cc1nc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cs1 206669628 JLQJDMQYGTXHSK-AWEZNQCLSA-N 318.417 4.001 0 40 DIAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)cc1)C1CC1 225671011 SEZLRFXFWWXEKC-IBGZPJMESA-N 319.445 4.255 0 40 DIAB C[C@H](NC(=O)CCc1cn(C)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 248382746 XYTAHKCVYAVMAD-IUVQAAGXSA-N 324.468 4.052 0 40 DIAB FC(F)C1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCCC1 517623346 SDKFTLURXITCLP-UHFFFAOYSA-N 303.312 4.295 0 40 DIAB COc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(N)c1 1504250361 IHRMHXFDHYMLNS-UHFFFAOYSA-N 319.229 4.367 0 40 DIAB CC(C)(C)c1csc(NC(=O)COc2ccc(Cl)cc2)n1 180514 PAECBPWRSJGCPS-UHFFFAOYSA-N 324.833 4.112 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 557791 PWTXFVFRIKETGF-UHFFFAOYSA-N 321.323 4.328 0 40 DIAB O=C1C[C@@H](c2ccc(Cl)cc2)S[C@@H]2Nc3ccccc3N12 1470119 ODADNGYTFVFHAX-GOEBONIOSA-N 316.813 4.260 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(F)cc1F 3561569 KPWILMYQZJRWDB-UHFFFAOYSA-N 316.134 4.453 0 40 DIAB CCn1c2c(c3ccccc31)CCS[C@]2(C)CCN(C)C 4626695 BRPOADLGOFPKKJ-GOSISDBHSA-N 302.487 4.117 0 40 DIAB in-man CCCCC[C@H](C)NC[C@@H](O)Cc1ccc(OCCCC)cc1 4721974 BEIBQSJRJBTTMQ-HKUYNNGSSA-N 321.505 4.327 0 40 DIAB OC(c1ccccc1)(c1ccccc1)[C@@H]1C[C@@H]1c1ccncc1 4822836 KPUSUIKQQCFQCX-WOJBJXKFSA-N 301.389 4.121 0 40 DIAB in-man O=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccco1 7112657 YXIGZJBCGVFPST-INIZCTEOSA-N 310.378 4.108 0 40 DIAB Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 8208727 KGIBZAFNIXUZDJ-UHFFFAOYSA-N 306.390 4.280 0 40 DIAB COc1cc(/C=C/c2ccnc3ccccc23)cc(OC)c1OC 8626501 PAZAXHPAPRUCGE-CMDGGOBGSA-N 321.376 4.431 0 40 DIAB CC(C)c1ccc(CCC(=O)NCCSC(C)(C)C)cc1 10367729 VGMYATUPIUXSFF-UHFFFAOYSA-N 307.503 4.391 0 40 DIAB Cc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c(C)c1 12493382 BSKNOYIDSQFAEG-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc2ncccc12 12830213 RPZHVFMOGZLFTQ-UHFFFAOYSA-N 323.421 4.213 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C)c1 13709594 BSUCOOHFJPJGQO-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1OC 20459441 YOWDEEMJAOUKJO-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(C)cc2C)c1 28221298 QMHGVMAWGPWAAS-CQSZACIVSA-N 310.397 4.389 0 40 DIAB CC(C)Cc1cc(-c2ccc(Br)cc2)cc(N)n1 30835701 UPWHTHGIWMMERY-UHFFFAOYSA-N 305.219 4.292 0 40 DIAB Cc1cc2cc(NC(=O)c3ccc4ccccc4n3)ccc2[nH]1 32818518 CEEBVPGIOUCPKG-UHFFFAOYSA-N 301.349 4.277 0 40 DIAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)c1ccc(F)cc1 32911134 IXIZJXGTTCUKBI-JTQLQIEISA-N 312.373 4.203 0 40 DIAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)cc1Cl 43212585 MJJDNTVYBYWPRW-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB Oc1cccc(CNCc2ccc(Oc3cccc(F)c3)nc2)c1 69776834 HSEKFPRBJJRING-UHFFFAOYSA-N 324.355 4.008 0 40 DIAB C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1cccs1 90667861 HTBRMQZBDPHVJK-HUUCEWRRSA-N 315.486 4.019 0 40 DIAB CCc1nnc(CSCc2ccccc2SC(F)F)o1 95412881 JMEOEODSSSJEDU-UHFFFAOYSA-N 316.398 4.380 0 40 DIAB C[C@H](CCCCN(C)C)OC(=O)c1cc2ccccc2s1 96004157 DKPGPWDJPMASKD-CYBMUJFWSA-N 305.443 4.179 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(CC[C@H]12)C[C@H]4CO 100066626 HHAMKMUMKLXDFQ-XLXYOEISSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Oc2cnccn2)cc1 106563026 VWCMUFAWAXIPNM-SOUVJXGZSA-N 323.396 4.034 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(C)cc1 113970417 CLXSODYRMIYMQN-SFHVURJKSA-N 311.425 4.086 0 40 DIAB CCc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222620759 NLZVNSMTWCZTSQ-UHFFFAOYSA-N 321.355 4.097 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1Cl 223492576 CMPJTPDSAKHPBJ-ZDUSSCGKSA-N 317.816 4.456 0 40 DIAB Cc1cc(C)cc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c1 225036341 FEQCHOWKYFFMDR-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCCN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 409243921 YZQLBKRSFWVEAH-DHZHZOJOSA-N 315.316 4.152 0 40 DIAB Clc1cnccc1-c1csc(-c2ccc3c(c2)CCO3)n1 560074092 NTHQJAHEWNBEHS-UHFFFAOYSA-N 314.797 4.460 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(Cl)cc1C(F)(F)F 575361235 UGWDOOANMRKMTF-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB CC(C)(C)c1ccc(OCCNCc2n[nH]c3ccccc23)cc1 589645419 PSCXCAWECOSVEP-UHFFFAOYSA-N 323.440 4.029 0 40 DIAB Cc1ccc(NC(=O)c2c(N)sc3c2CCCC3)cc1C 74394 YWRULUKTDYAMHL-UHFFFAOYSA-N 300.427 4.078 0 40 DIAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 493249 VFGLASWXMXYGTI-OAHLLOKOSA-N 305.377 4.096 0 40 DIAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n3ncnc3n2)cc1 1096370 DWFHYAXXAAIQSG-UHFFFAOYSA-N 300.365 4.075 0 40 DIAB CCCCC(CCCC)NC[C@H](C)OC(=O)c1ccc(N)cc1 1715252 OIJITVKQXJLVLE-HNNXBMFYSA-N 320.477 4.153 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1801458 XEAJGDGCOCZWHI-UHFFFAOYSA-N 317.772 4.159 0 40 DIAB CCOC(=O)N1CCc2c(ccc3cc(OC)ccc23)[C@H]1CC 2048037 CAZXJOOTWJFAJW-GOSISDBHSA-N 313.397 4.314 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2)c(C)c1 3204787 ANLYJBMCORDCSC-UHFFFAOYSA-N 310.802 4.033 0 40 DIAB C=C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881940 ILGPJZIKYMIGMU-BCRJPVCJSA-N 314.469 4.435 0 40 DIAB biogenic O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Cl)cc1Cl 4587888 YUIUWELOZNYHNL-ZSOIEALJSA-N 318.159 4.338 0 40 DIAB CCCC(=O)Nc1nc(-c2ccc(OCC)cc2)c(C)s1 6308394 NOVFSEZUXRBHFB-UHFFFAOYSA-N 304.415 4.256 0 40 DIAB CCn1cc(SCC(=O)NC2CCCCC2)c2ccccc21 6351222 KYBDADQWQNTBJX-UHFFFAOYSA-N 316.470 4.202 0 40 DIAB C[C@@H](NC(=O)CCc1cccs1)C12CC3CC(CC(C3)C1)C2 7397908 LKJQFLVOBJBICI-PGBRGIIUSA-N 317.498 4.402 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 8480293 JVHLSASJHOLMDQ-GUYCJALGSA-N 317.816 4.375 0 40 DIAB C[C@@]12CC3CC(NCc4ccc5c(c4)OCO5)(C1)C[C@](C)(C3)C2 8534536 BPABADNJWGIMHO-LGMBCPCJSA-N 313.441 4.254 0 40 DIAB Cc1cccc2nc(-c3ccccn3)n(CCc3ccncc3)c12 13213015 XNYKMZXPMSTPAP-UHFFFAOYSA-N 314.392 4.044 0 40 DIAB O=C(NCc1ccc(-c2ccccc2)cc1)NCc1cccs1 14200498 NPCCDKWPPCKURN-UHFFFAOYSA-N 322.433 4.415 0 40 DIAB Nc1cc(Br)ccc1OCCCc1ccccc1 14630923 URNSRJXMCWBQBW-UHFFFAOYSA-N 306.203 4.043 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 15198962 SIRNHDSMAWBMNH-YXMGTMDOSA-N 313.397 4.192 0 40 DIAB CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 15941024 FROGGFONBYACJB-KRWDZBQOSA-N 308.425 4.419 0 40 DIAB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 18131718 ZERRUXNUAORLFY-MRXNPFEDSA-N 303.789 4.230 0 40 DIAB Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 19736416 XGPKDMSGULLLOF-CQSZACIVSA-N 312.413 4.107 0 40 DIAB CCCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 20265027 XFKKRDDQXKUFRA-NTEUORMPSA-N 300.383 4.004 0 40 DIAB Cc1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1Cl 22191211 YVSWOUJYYXMNEC-UHFFFAOYSA-N 308.834 4.293 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 30861496 LUOIUCBMHIZSDS-KGLIPLIRSA-N 317.816 4.293 0 40 DIAB CCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 35042099 AYXLFLPQPYNUNY-BJMVGYQFSA-N 302.182 4.050 0 40 DIAB Cc1ccccc1CNC(=O)Nc1ccccc1OCC(C)C 40152301 TWBKYWKJRVJPGM-UHFFFAOYSA-N 312.413 4.352 0 40 DIAB CCC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1 41086030 GNVAABSUQKWJAJ-UHFFFAOYSA-N 300.745 4.497 0 40 DIAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c2ccccc12 41096650 XCFTZJHIUHDVEF-LBPRGKRZSA-N 323.845 4.056 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1c(F)cccc1F 49549192 LFRYTJCNXXRXEB-VIFPVBQESA-N 305.328 4.040 0 40 DIAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(C(C)C)CO3 57134906 PEUZJJBWGMHCMY-UHFFFAOYSA-N 315.413 4.004 0 40 DIAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 57718724 ZWKLYBOXERFNER-UHFFFAOYSA-N 318.420 4.246 0 40 DIAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccncc1 59352664 CGFQYFSKVRKDKC-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB CCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OC 224405284 HODZQXKVGDQLJW-UHFFFAOYSA-N 313.397 4.046 0 40 DIAB Cc1ccc(S[C@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225037875 NGFFPHSDODJXIX-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c1OC(C)C 225591322 NOGNNURKUBTCAZ-UHFFFAOYSA-N 324.635 4.399 0 40 DIAB CCCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226253618 OYVWAYHVRRCPEO-AWEZNQCLSA-N 303.450 4.166 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccoc2)cc1 390828250 AOQOGFJBJFBIGM-HNNXBMFYSA-N 321.376 4.030 0 40 DIAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)n1cnc2ccccc21 140853 YFQPEAYZAUNOKQ-ZANVPECISA-N 309.196 4.268 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 363060 RZSSXFHJGBKGBG-LBPRGKRZSA-N 312.394 4.011 0 40 DIAB C[C@H]1CCc2c(sc3ncnc(NCCc4ccccc4)c23)C1 1006964 YMLWLCLBGIKDOE-ZDUSSCGKSA-N 323.465 4.471 0 40 DIAB COc1ccc(C)cc1Nc1ncnc2c1oc1ccccc12 3285058 YRBHBWLLAYQAIS-UHFFFAOYSA-N 305.337 4.437 0 40 DIAB CCc1cccc2sc(NC(=O)c3ccc(OC)cc3)nc12 4348343 CYMOJEMMFLFJFK-UHFFFAOYSA-N 312.394 4.120 0 40 DIAB O=C1c2ccccc2C(=O)N1c1ccc2oc3ccccc3c2c1 5002729 WZNSBJQSZUKEHM-UHFFFAOYSA-N 313.312 4.387 0 40 DIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13CC(=O)[C@](C)(CC[C@H]12)C3 5528623 KFVUFODCZDRVSS-JFDWIMJISA-N 318.457 4.443 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2F)cc1 5688097 PELBLZIGVIYZBH-RUDMXATFSA-N 305.736 4.140 0 40 DIAB Cc1n[nH]c2c1[C@H](c1cccc3ccccc13)S[C@H](C)C(=O)N2 6678449 PHKFKDARFLSTSJ-BZNIZROVSA-N 323.421 4.035 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 7644690 PPMBJLJLCKITNH-YFTXEMMHSA-N 315.800 4.239 0 40 DIAB O=C(C1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 7645042 DJDNDUVNKYTULO-UHFFFAOYSA-N 314.454 4.193 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc2n1 8798713 JJKMJLLPGXHHRO-UHFFFAOYSA-N 300.745 4.350 0 40 DIAB Cc1ccc(-c2noc(CN3CCSc4ccccc43)n2)cc1 9367652 ZTOZZWGCNNZAPI-UHFFFAOYSA-N 323.421 4.157 0 40 DIAB Cc1ncc(CN2C[C@H](c3ccccc3)C3(CCCCC3)C2)n1C 12088119 AGVUDOWUQDTDMZ-HXUWFJFHSA-N 323.484 4.278 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(CC)cc3)cc2c1 12493152 QMXONKJCAFBYAG-UHFFFAOYSA-N 322.408 4.101 0 40 DIAB C[C@@H](CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 12776728 JGQSWQXLDQMKHE-HNNXBMFYSA-N 317.392 4.276 0 40 DIAB CC(C)CC(=O)NC(=S)N(c1ccccc1)c1ccccc1 16575021 XHPVGKYTJAKVNW-UHFFFAOYSA-N 312.438 4.272 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CSc1ccccn1 16839867 CYLFCYUGWXBBNM-LSDHHAIUSA-N 317.454 4.127 0 40 DIAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(CCC(=O)O)n2)cc1 17055329 VHMKOZVJPJZCMA-UHFFFAOYSA-N 320.392 4.309 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1 18253846 NIZHYJQOPKZOSD-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1ccc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)s1 25461605 BMWNHVWMSCTTSR-DHDCSXOGSA-N 322.389 4.191 0 40 DIAB Cc1cc(C)cc(NC(=O)CCCc2nc3ccccc3o2)c1 31814306 IMBJEJGRZXOYNN-UHFFFAOYSA-N 308.381 4.406 0 40 DIAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cc(Cl)c[nH]1 32397203 HINKTAFOWHUCTP-AWEZNQCLSA-N 308.834 4.391 0 40 DIAB C[C@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 32907064 SEDNWHMGVIUORD-LLVKDONJSA-N 303.789 4.471 0 40 DIAB CCOC(=O)c1c(/C=C/c2scnc2Cl)cccc1OC 35973556 DBGNENYJHBUAPX-BQYQJAHWSA-N 323.801 4.152 0 40 DIAB Cc1nccc(-c2cccc(NCCOc3ccccc3F)c2)n1 48235016 BPPDNYLRRXONFC-UHFFFAOYSA-N 323.371 4.082 0 40 DIAB O=C(Oc1ccc2ncccc2c1)C1(c2ccc(F)cc2)CCC1 58174881 MUEMNZIMSXYETC-UHFFFAOYSA-N 321.351 4.401 0 40 DIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C2CC2)on1 58924498 XSSOOQHOULURTB-FUHWJXTLSA-N 324.424 4.350 0 40 DIAB O[C@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 72225790 NUNCQQSBXVXKKB-OAQYLSRUSA-N 316.404 4.248 0 40 DIAB CCOc1cccc2c(Nc3ccccc3C(=O)O)cc(C)nc12 78401715 UNGGTRWVYYMLCH-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(Cl)cc1 216777436 ZELHFLCBRCZXNT-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1ncnc3ccccc13)C2=O 221829214 XRMHCDORAISTQA-QITLCBANSA-N 312.438 4.116 0 40 DIAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(F)cc2)c1 224590184 QXNYCLYGASWVKT-UHFFFAOYSA-N 313.416 4.200 0 40 DIAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(F)c2)cc1 225446387 PAHMUPCHZVXCCO-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB Cc1cc(C)c(C(=O)NCCOc2ccccc2Cl)cc1C 225652048 JIBMYXNQEAXUDZ-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)C)cc1 225737474 QCORPHNIWOPEKV-GOSISDBHSA-N 307.434 4.398 0 40 DIAB CCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352722 SBYMZCLWKCLLNS-UHFFFAOYSA-N 321.760 4.427 0 40 DIAB CC(C)(C)OC(=O)c1cc(F)c(Br)cc1Cl 725343287 VLOVPCVKWNDQRY-UHFFFAOYSA-N 309.562 4.197 0 40 DIAB Cc1cc(-c2noc(-c3cccc(F)c3)n2)c2ccccc2n1 1423707 MHDNTJYXMFUZSC-UHFFFAOYSA-N 305.312 4.399 0 40 DIAB CC[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1CC 4138497 PYLLNCUGTDGFTA-LLVKDONJSA-N 300.431 4.337 0 40 DIAB O=C(Nc1ccccc1F)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 4189808 GGUBAOBARFCCSV-KBPBESRZSA-N 324.182 4.352 0 40 DIAB O[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1c1ccccc1 4825101 VYLAGGWLWLRSRY-NJDFBWEVSA-N 301.389 4.350 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1C 5292579 YABIUWVQMWNBNJ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCC2CCCCC2)cc1 5987245 DRPYVUHOPRMPCW-OAHLLOKOSA-N 317.429 4.226 0 40 DIAB COc1ccc(C)cc1NC(=O)c1ccc(CSC)cc1 6561150 NLBFDHZZPANNMA-UHFFFAOYSA-N 301.411 4.119 0 40 DIAB c1ccc(CNCc2ccc(OCc3cccs3)cc2)nc1 7365255 JZLKDCUEFPQUFH-UHFFFAOYSA-N 310.422 4.012 0 40 DIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCCC1 7911298 WDDXTTAIAHSQLJ-UHFFFAOYSA-N 318.420 4.321 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2ccccc2)cc1 7985931 CSOIIVYXCIEOOV-UHFFFAOYSA-N 306.365 4.140 0 40 DIAB CN(C)CCO[C@](C)(c1ccccc1)c1ccc2ccccc2n1 8581617 YDJVFOAHQRFWRZ-OAQYLSRUSA-N 320.436 4.077 0 40 DIAB CCOc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 9816414 VJCXMFNMFCLFET-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB O=C(NC1CCCCCC1)N[C@H]1CCSc2c(F)cccc21 10409644 KCKMVHWNAFMHQB-HNNXBMFYSA-N 322.449 4.385 0 40 DIAB COc1ccc(-c2cnc(-c3ccc(Cl)cc3)[nH]2)cc1OC 12371362 GSVDQCPSNBBBGQ-UHFFFAOYSA-N 314.772 4.414 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1sccc1-n1cccc1 14173366 MDDFWLNYNYOZEL-UHFFFAOYSA-N 324.361 4.037 0 40 DIAB O=C(Nc1c(C(=O)c2ccco2)oc2ccccc12)c1ccco1 14249801 GKKMLXNGAFKCQC-UHFFFAOYSA-N 321.288 4.102 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1Cl 14915671 NUHKYHKVMLTNOH-ZDUSSCGKSA-N 319.857 4.278 0 40 DIAB CCCCN(CC)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 17270308 SLSAINJQOHOYDP-UHFFFAOYSA-N 323.444 4.059 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(F)c1 18116804 AOTUFDSVNXOSCG-UHFFFAOYSA-N 301.361 4.211 0 40 DIAB CCC(=O)c1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 20572849 BKUHEJPHYUNYMQ-UHFFFAOYSA-N 302.757 4.194 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(F)c1 22523249 ZHHLTBHCCUOSPM-ZDUSSCGKSA-N 301.361 4.355 0 40 DIAB COc1ccc(C(C)=O)c(OCc2coc(-c3ccccc3)n2)c1 23630959 XDHSZYNPOHSFCP-UHFFFAOYSA-N 323.348 4.132 0 40 DIAB Cc1noc2ncc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc12 29107322 XOHWCGNCLBDCRR-KRWDZBQOSA-N 323.396 4.048 0 40 DIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 30757356 ZSEJAGGSKSIRGD-AWEZNQCLSA-N 306.818 4.244 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccccc1 38772355 ZVFXOYLFMUEEJW-QAPCUYQASA-N 311.425 4.284 0 40 DIAB CC(C)CN(C(=O)Nc1ccccc1OC(F)(F)F)C1CC1 43878728 FYOMAACTVKHGKO-UHFFFAOYSA-N 316.323 4.238 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC1=CCCCC1 44901184 JTZXROIRQRSXRS-GOSISDBHSA-N 315.457 4.468 0 40 DIAB Nc1cc(-c2nc(-c3ccccc3Cl)no2)ccc1Cl 50438468 GTYIJXRXUIDTMM-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB c1ccc(Cn2cc(Nc3nc4ccccc4s3)cn2)cc1 58356888 ZQQMTNNBCWYIJL-UHFFFAOYSA-N 306.394 4.285 0 40 DIAB O=C(NCc1cc2ccccc2[nH]1)c1cc2c(s1)CCCCC2 58357587 HUSRDWFHHFZCHM-UHFFFAOYSA-N 324.449 4.428 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2ccc(C)c(F)c2)c1 71761683 ZBMSJVQREJNOBR-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCc2ccccc21 72222903 URJZUAXWJUGCRP-HXUWFJFHSA-N 316.404 4.166 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NC[C@@H](C)c2ccsc2)c1 95968796 QJKHZCDCKGKKQP-OLZOCXBDSA-N 302.443 4.161 0 40 DIAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(C)cc23)c1 102226945 ACYHAPBJCBSEQL-QFBILLFUSA-N 308.381 4.073 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccccc1Cl 224745033 LWMXJKJTGLCZHJ-OUKQBFOZSA-N 313.828 4.491 0 40 DIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225735624 YCWZWQGLXYVIEL-SFHVURJKSA-N 307.434 4.174 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1C 225781362 VSEHFUCDXAXGED-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1cccs1 240068094 SIBHMUCVVOGQJC-CYBMUJFWSA-N 311.406 4.255 0 40 DIAB CC(C)n1cc(Br)c(-c2c(F)cccc2F)n1 248161386 LTDRHRVJCHBIQL-UHFFFAOYSA-N 301.134 4.172 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)cc3)N21 260759309 FYSQPHAGNOBMOX-NXHRZFHOSA-N 323.465 4.369 0 40 DIAB CCOC(=O)CCc1c[nH]c2c(OCc3ccccc3)cccc12 1857793168 XOZNAHDGDQVBRL-UHFFFAOYSA-N 323.392 4.243 0 40 DIAB Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCC3 137152 AYHMAAKDWBZPQS-UHFFFAOYSA-N 317.439 4.077 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2c(=O)o1 204687 HOKFKMHIQFUIRD-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB COc1ccc(-c2ccc3c(c2)c2c4n3CCN[C@@H]4CCC2)cc1 287010 MXEXVQBKSULBLE-LJQANCHMSA-N 318.420 4.298 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1cc(OC)cc2cccnc12 1655461 QTQWMSOQOSJFBV-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB in-man COc1cccc(CCC(=O)c2ccc(Br)cc2)c1 2516506 NVXDPPMWAKSTBG-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB Cc1nc(-c2ccc(NC(=O)COc3ccccc3)cc2)cs1 3345615 SVWPVSUCOXEYOM-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB O=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 3410627 ALWTYYGKTVBYRA-UHFFFAOYSA-N 320.753 4.187 0 40 DIAB aggregator CCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC 3548010 NTFGMJVHLYJNGA-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)cc1C 3553134 ITXPXCXMBJDMLU-UHFFFAOYSA-N 323.801 4.139 0 40 DIAB COc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913754 MCFKHWDSHTUKCG-INIZCTEOSA-N 319.360 4.028 0 40 DIAB CCC(CC)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 6083418 QTSDHFZJOQABOU-UHFFFAOYSA-N 316.470 4.274 0 40 DIAB Cc1cc(=O)oc2c(C)c(Oc3ncnc4sccc34)ccc12 7979292 JDZDBFFITLGQOV-UHFFFAOYSA-N 324.361 4.207 0 40 DIAB Cc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 8003573 ZBUMOZIYFROUNE-IBGZPJMESA-N 314.404 4.060 0 40 DIAB CC[C@@H](N[C@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 8128826 ZVHQORPNPMFUTD-RDTXWAMCSA-N 314.404 4.202 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCCSc1ccccc1 8361040 UBDDEUAQOGIKRA-ZHACJKMWSA-N 317.841 4.262 0 40 DIAB Cc1nc2ccccc2c(O)c1CN(CC(C)C)CC(C)C 8700831 YIRNZSGHZABRAF-UHFFFAOYSA-N 300.446 4.363 0 40 DIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)O)cc2)c1 9550347 MXEKFSNKTBPDKV-UHFFFAOYSA-N 321.785 4.012 0 40 DIAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)c1 9690672 OBZRSXKGDXOWTJ-ZDUSSCGKSA-N 324.405 4.409 0 40 DIAB COCCOc1cccc(NC(=O)Nc2cccc(Cl)c2)c1 10155131 QFWMUZISOOZKPR-UHFFFAOYSA-N 320.776 4.009 0 40 DIAB O=C(O)/C=C/c1cccc(OCc2c(F)cccc2Cl)c1 11961522 XWVGWLIGHBNVPF-BQYQJAHWSA-N 306.720 4.156 0 40 DIAB Cc1ccc2[nH]c(=O)c(CNc3ccc(C)c(Cl)c3)cc2c1 12492463 OZDVOJQRPJNAJU-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB O=C(NCC1(c2cccs2)CCCC1)c1c(F)cccc1F 13803080 HLRHKNYFUNVMBD-UHFFFAOYSA-N 321.392 4.268 0 40 DIAB COc1cc(C)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C 14316632 YDHIPGFSBBWNMU-UHFFFAOYSA-N 313.397 4.019 0 40 DIAB Fc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1 16401759 AMAHFEBBIHFCBZ-UHFFFAOYSA-N 305.780 4.310 0 40 DIAB Brc1ccc2c(c1)[nH]c1cc(-c3ccccc3)nn12 16492826 BNUUYOKJLMCXQL-UHFFFAOYSA-N 312.170 4.245 0 40 DIAB CC[C@H](C)OC(=O)CCCCCCCC(=O)O[C@H](C)CC 17316015 NWUGLCZYPSNPCE-GASCZTMLSA-N 300.439 4.401 0 40 DIAB CN(Cc1cccc(F)c1)C(=O)Cc1ccc2ccccc2c1 18080371 SYRILHOVQHGRFL-UHFFFAOYSA-N 307.368 4.180 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccc(C)c(C)c1 19933200 FTHIOTJMFNJUTG-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 22523985 CHDVGUZYIBIYPX-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB CC[C@H](C)NC(=O)Cn1c(-c2ccc(C)cc2)csc1=S 25377356 YLXOKIVQLXDJMP-LBPRGKRZSA-N 320.483 4.169 0 40 DIAB O=C(Cc1ccccc1F)NC1CCC(c2ccccc2)CC1 32797000 IGYLFHGCCKNERO-UHFFFAOYSA-N 311.400 4.211 0 40 DIAB Cc1ccsc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 32931077 FBXXXQWKFFKIKT-SNVBAGLBSA-N 311.353 4.149 0 40 DIAB COC(=O)c1cc(Nc2cccc(C)c2)c2cccc(C)c2n1 38487124 GAFPPJFPTKOWHB-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB CC[C@@H](C)c1ccc(OC2CCNCC2)c(Br)c1 42774574 VFUUYAZUGFXLBK-LLVKDONJSA-N 312.251 4.093 0 40 DIAB O=C(c1cc(F)cc(F)c1)c1ccccc1OC(F)(F)F 55200030 WZYSFLSUKPWSEV-UHFFFAOYSA-N 302.198 4.094 0 40 DIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1nc(C)c(C)o1 67783706 PHNDXGTUQOTMTN-UHFFFAOYSA-N 314.168 4.380 0 40 DIAB CCOC1=C(CN(C)C)[C@@H](c2ccc(C)cc2)Oc2ccccc21 71405271 QAQPYIKTJWDZCV-HXUWFJFHSA-N 323.436 4.438 0 40 DIAB COc1cccc(-c2nc(CNCc3cccs3)cs2)c1 71839122 ZWMWOTNUMSFBRU-UHFFFAOYSA-N 316.451 4.170 0 40 DIAB CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F 71857419 ODWFEESIQFBVIU-UHFFFAOYSA-N 318.295 4.011 0 40 DIAB C[C@H](CNC(=O)Nc1cccc(C(F)F)c1)c1nccs1 97113213 JZFHKXCLYFVUAQ-SECBINFHSA-N 311.357 4.006 0 40 DIAB Oc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1Cl 97212432 FRANNDGPBRXYHR-UHFFFAOYSA-N 308.671 4.041 0 40 DIAB CCc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 101084782 UNAAGLRZOSJFIP-QFBILLFUSA-N 308.381 4.019 0 40 DIAB NC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 216948133 CJQDWZLBQAACDC-UHFFFAOYSA-N 319.191 4.095 0 40 DIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)cc3)N21 222640130 FYSQPHAGNOBMOX-RYQLBKOJSA-N 323.465 4.369 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)CCCC2 222901184 ISWJQGRIYKCCGT-UKYUDJEDSA-N 305.421 4.456 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223230682 WKBFSDCDFRNJMZ-OAHLLOKOSA-N 323.436 4.454 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225605404 HDEHEINEICHBDP-SFHVURJKSA-N 307.434 4.255 0 40 DIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225687469 WFGOUSDLZDCQKJ-SFHVURJKSA-N 307.434 4.254 0 40 DIAB CC(C)CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 257325448 WSYVAQWTEGVRAS-XXFFEUEESA-N 321.505 4.015 0 40 DIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccco2)S1 408797013 FLPUROVDKOCTCZ-UHFFFAOYSA-N 319.793 4.004 0 40 DIAB Cc1nc(-c2cccc([C@@H]3CCCN(C(C)C)C3)n2)sc1C 2037666403 ZSGMVDRFXUZIDZ-OAHLLOKOSA-N 315.486 4.410 0 40 DIAB O=c1ccc(C(F)(F)F)cn1Cc1cccc2ccccc12 2642622 LGYSDDJABROEQE-UHFFFAOYSA-N 303.283 4.069 0 40 DIAB CCCOc1ccc(OCC(=O)c2ccc(Cl)s2)cc1 3328969 OXYBAJJRZOPEKL-UHFFFAOYSA-N 310.802 4.452 0 40 DIAB Cc1ccc(C[C@@H](SCc2ccccc2)C(=O)O)cc1C 3351146 MWSHUOPFKCDYQP-QGZVFWFLSA-N 300.423 4.233 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(Cl)c1 3516015 OWEMRNRXMVDWNN-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB Cc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)O)s1 3911084 MSRONJNJJKOOQE-UHFFFAOYSA-N 324.405 4.489 0 40 DIAB COc1ccc(Cl)cc1/C=C/c1nc2ccccc2c(=O)o1 4487575 CLOVYZDBTBGUGV-RMKNXTFCSA-N 313.740 4.020 0 40 DIAB Fc1ccccc1-c1nnc(S)n1-c1ccc(Cl)cc1 4973833 MCURJJHBMTYIOP-UHFFFAOYSA-N 305.765 4.016 0 40 DIAB CCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 5552331 AYXLFLPQPYNUNY-YHYXMXQVSA-N 302.182 4.050 0 40 DIAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccco1 5777516 GVOXPZVWMWFILO-UHFFFAOYSA-N 304.305 4.340 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 5862327 PVCGVWGFQCKZAK-NEPJUHHUSA-N 321.779 4.124 0 40 DIAB c1ccc(OCCCn2c([C@H]3CCCO3)nc3ccccc32)cc1 7343601 RTESZEKANIAJBC-LJQANCHMSA-N 322.408 4.357 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 7402296 FNGPOCXYRUPWEI-GFCCVEGCSA-N 307.390 4.140 0 40 DIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1)O[C@@H](C)C2 7609422 BWRXZXYVRKTFJM-HBWSCVEGSA-N 323.392 4.061 0 40 DIAB O=C(Nc1ccc(F)cc1)c1c2c(nc3ccccc13)CCC2 7639113 RXZNNGSROFZWSJ-UHFFFAOYSA-N 306.340 4.115 0 40 DIAB CC(C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12561882 LNCHTMSNDUINGW-LJQANCHMSA-N 308.425 4.242 0 40 DIAB Cc1cc(OCC(=O)N[C@H]2CCc3ccccc32)ccc1C(C)C 12939878 PGXBLPYJMJLVBM-FQEVSTJZSA-N 323.436 4.301 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 12988594 QMZWWGDNJBVARN-SMDDNHRTSA-N 314.351 4.083 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 13048050 GTBBTMWRMUNCBH-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1 13816308 CTRGQVFQHOPYLQ-CQSZACIVSA-N 314.454 4.441 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 14410651 GPFVBJYXFRIOFB-LFGUQSLTSA-N 316.441 4.396 0 40 DIAB biogenic,in-vitro CCOc1ccc(OCC)c(NC(=O)c2cc3ccccc3[nH]2)c1 15597242 HGFHWFFHUHINOY-UHFFFAOYSA-N 324.380 4.218 0 40 DIAB Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 20343452 MDHFXBQONBIHOC-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(Cl)cc1 20495488 KDGCUBHTYWUPTH-INIZCTEOSA-N 317.816 4.122 0 40 DIAB Cc1ccc(CCC(=O)N[C@H]2CCc3ccccc32)cc1Cl 22009068 YNQLGRLGBJBJMW-SFHVURJKSA-N 313.828 4.385 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)C1CCCCC1 22509378 TUZLBZOSWXWRQF-HNNXBMFYSA-N 311.425 4.398 0 40 DIAB CCC(=O)Nc1ccc(C)c(NC(=O)NC2CCC(C)CC2)c1 40121336 GGTMHOPTKUBQJU-UHFFFAOYSA-N 317.433 4.044 0 40 DIAB O=C(Nc1nccs1)c1cccc(-n2ccc3ccccc32)c1 44227432 CMBOIUXJMOMFQI-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB CSc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 44845714 LUMJHHVUQOWGIX-UHFFFAOYSA-N 306.818 4.384 0 40 DIAB CN(C(=O)c1ccc(-c2ccccc2)cc1F)c1nccs1 48230699 VQKTTWMLGXKIQD-UHFFFAOYSA-N 312.369 4.226 0 40 DIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78876888 FFVPECXZABNKMA-CHWSQXEVSA-N 324.302 4.052 0 40 DIAB CC(C)(C)OC(=O)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1 80443616 JCGMOCMONKUARE-UHFFFAOYSA-N 317.385 4.380 0 40 DIAB Fc1ccc(COc2cc(F)ccc2Br)c(F)c1 89064190 NMXQZFXGPJPYLL-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB FC(F)(F)c1nc(Cl)c2ccc(Br)cc2n1 90550117 VUSHNWRGQDDPJU-UHFFFAOYSA-N 311.488 4.065 0 40 DIAB COc1cc(OC)cc(C(=O)c2c(Cl)cccc2Cl)c1 95916740 RCOSTEPOQFFWAK-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)Nc2ccccc2F)C1 100984432 FYKVEPBIDVMZHD-PXAZEXFGSA-N 306.450 4.423 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113959644 AXHRAZPFOAPVEU-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 138183803 YFEYXLOOTCLWQB-YCEFEEMOSA-N 323.436 4.302 0 40 DIAB Cc1ccc(CC(=O)Nc2nnc(-c3ccccc3)s2)cc1C 225584738 QQCGBYXDSRXQCD-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB CC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1 225665940 CZVKEEVBTOEIJO-MRXNPFEDSA-N 301.361 4.024 0 40 DIAB CC(C)N1CCC(C)(c2ncc(Cc3cccc(F)c3)o2)CC1 257250987 JOWHNFDXNOLQFT-UHFFFAOYSA-N 316.420 4.166 0 40 DIAB O=C(CSc1ccc(F)cc1)Nc1ccccc1C(F)F 408542279 ICAVDMFYZUJMHX-UHFFFAOYSA-N 311.328 4.494 0 40 DIAB CCCSCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 514053041 LPGDTFVHSQSION-UHFFFAOYSA-N 324.446 4.339 0 40 DIAB CC(C)C[C@H](C(=O)N(C)Cc1cccc(O)c1)c1ccccc1 525424106 ZMULPOMBLVPXTL-IBGZPJMESA-N 311.425 4.181 0 40 DIAB Nc1c(F)cccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250435 MDHIAEVGGVBJEQ-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB O=C(CN1CCCCCC1)N(C1CCCCC1)C1CCCCC1 251385 JLIKUJMBCQPFQA-UHFFFAOYSA-N 320.521 4.356 0 40 DIAB Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc12 484321 USDJRVPOGBXYIT-CPNJWEJPSA-N 313.356 4.493 0 40 DIAB O=C(c1csc2ccccc12)[C@H](O)c1ccccc1Cl 2046515 AJJKEGIPRRQSNC-OAHLLOKOSA-N 302.782 4.471 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 2737544 FEQBJIFBTZDROW-UONOGXRCSA-N 320.219 4.413 0 40 DIAB O=C(O[C@H]1CCCCC1=O)c1sc2ccccc2c1Cl 3303475 UYJGGHRJUFQDPC-NSHDSACASA-N 308.786 4.223 0 40 DIAB COc1ccc(NC(=O)CCCc2cccs2)cc1Cl 3346613 BQKIGSHCULZMGB-UHFFFAOYSA-N 309.818 4.372 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 3443687 NGEAZEWHQRUQDG-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB CC1=CC(C)(C)N(C(=O)CNC2CCCC2)c2cc(C)ccc21 4896783 QFVAHFZYBMFWBC-UHFFFAOYSA-N 312.457 4.056 0 40 DIAB CCc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 5133601 YOIYHFKWCIFLRJ-UHFFFAOYSA-N 309.818 4.012 0 40 DIAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1 5675206 ZKKKVMRFMHKEQQ-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB Cc1ccccc1N/C=C1\SC(=O)N(Cc2ccccc2)C1=O 5799022 XLMXFGFRCCYDQV-WJDWOHSUSA-N 324.405 4.144 0 40 DIAB COc1ccc(CNC(=O)c2ccccc2F)c(C(C)(C)C)c1 6262666 SHJFVKZHVSGFFJ-UHFFFAOYSA-N 315.388 4.062 0 40 DIAB CCn1c(=S)[nH]c2sc(-c3ccccc3)c(C)c2c1=O 6648729 FEEDJVIEAUEBGD-UHFFFAOYSA-N 302.424 4.116 0 40 DIAB CSc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 7146378 OSQLYVHKXIBZOR-UHFFFAOYSA-N 321.442 4.420 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 8986587 UIERLMVFYYDFEJ-UHFFFAOYSA-N 313.250 4.285 0 40 DIAB Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)ncnc12 9184265 MJARTSRTOYNZEM-UHFFFAOYSA-N 310.382 4.061 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14007018 JHHHUHGIBIVNJR-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)n1 14683641 HNQVHJPHHGFIAX-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1F 15578124 PYRKODIAGYCMEZ-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB COc1ccc(CO)cc1OCc1ccc(Cl)cc1Cl 20546498 FYCILSTVYUIHOJ-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB CC(C)CC[C@@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 20573567 CKZXYKDYTTZJGL-SFHVURJKSA-N 322.924 4.497 0 40 DIAB CCN(C(=O)c1ccc(Cl)nc1)c1nc2ccccc2s1 23042846 NQZGCZUKTVOEEA-UHFFFAOYSA-N 317.801 4.011 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(-n2cccc2)c1 30997196 ZFRJEXGOYWFFSS-UHFFFAOYSA-N 316.404 4.379 0 40 DIAB C[C@@H]1Oc2c(C(=O)Nc3cccc4cccnc34)cccc2[C@@H]1C 32820215 YOTPAIYBUWDRQD-OLZOCXBDSA-N 318.376 4.372 0 40 DIAB Cc1nc(-c2cccc(NC(=O)c3cccc(F)c3)c2)oc1C 33687604 NHQKDZFNMCQEER-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB Cc1cccc(NCc2n[nH]c(=S)n2-c2cc(C)ccc2C)c1 40163735 NNAOAYBBJVVLOR-UHFFFAOYSA-N 324.453 4.467 0 40 DIAB C[C@H](NC(=O)Nc1nccs1)c1cccc(C(F)(F)F)c1 42737251 QREOSFFOJOABIZ-QMMMGPOBSA-N 315.320 4.045 0 40 DIAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2ccsc2)o1 43723069 DRYYPKVFFYYVHB-GXTWGEPZSA-N 304.415 4.257 0 40 DIAB CCN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2[nH]1 45380845 YOWUHUMBHAMWOM-UHFFFAOYSA-N 302.761 4.077 0 40 DIAB CCC(=O)Nc1ccc(C)c(NCc2csc(C3CC3)n2)c1 89941774 VOFCXNLAFIMLFI-UHFFFAOYSA-N 315.442 4.290 0 40 DIAB Cc1ccc(C(=O)c2ccc(Br)cc2C)cc1F 95916958 YVOKISQZBHOEMJ-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB CCc1cccc(N[C@@H](C(=O)N(CC)CC)c2ccccc2)c1 98081200 XCURPJFTCLPPHN-LJQANCHMSA-N 310.441 4.271 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2OC)cc1 113968950 QEACAEDPFXMOFP-KRWDZBQOSA-N 313.397 4.054 0 40 DIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)s1 222568447 YRFNEPXNVNFBJU-GLQYFDAESA-N 315.467 4.041 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 222867313 NLTNPNCKAXFZDC-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)ccc1C 222897981 XEIASAGQYHYZGK-LJQANCHMSA-N 309.409 4.119 0 40 DIAB COCc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 223413152 ZFTZOLVOPROHLZ-AWEZNQCLSA-N 315.438 4.093 0 40 DIAB CCC[C@H](C)NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225263946 XRQKXYHFMVRJNA-AWEZNQCLSA-N 321.424 4.457 0 40 DIAB COc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1N 226293479 SRWGVFZXZFTPJL-HXUWFJFHSA-N 305.377 4.026 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 390831945 WDEUMKICKFGTAZ-MRXNPFEDSA-N 316.470 4.085 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 408681753 SAKXOFFXUDFHBT-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB S=C(SCc1cc(Cl)nc(Cl)c1)N1CCCC1 163055 XIXPWNLQUBLKHU-UHFFFAOYSA-N 307.271 4.002 0 40 DIAB Nc1c(-c2ccccc2)cnc2cc(-c3ccc(Cl)cc3)nn12 208705 JLTOSAZWTJCDSB-UHFFFAOYSA-N 320.783 4.299 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1Br 353948 AMOMADMXAJBZGS-LLVKDONJSA-N 316.198 4.041 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(Br)c1 514181 PQMOPRAHQIOZNP-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 569975 WNDQCEAKBBIZCD-UHFFFAOYSA-N 302.805 4.472 0 40 DIAB Cc1ccc(NC(=S)NCc2ccccc2Cl)cc1C 3330981 DPBXPWXBHXSERR-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccccc2C1 3452526 DUJBEEZUPUWNNT-UHFFFAOYSA-N 318.420 4.076 0 40 DIAB Nn1cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 4406101 VZSRVVACHATALA-UHFFFAOYSA-N 315.829 4.210 0 40 DIAB CCc1ccc2c(CC(=O)Nc3nc4ccccc4[nH]3)coc2c1 5267440 RMBTTYXIIVBJNI-UHFFFAOYSA-N 319.364 4.053 0 40 DIAB O=C1c2ccccc2[C@](O)(c2ccccc2)c2c(Cl)cccc21 5438662 QJHZYWCFWPVHDK-HXUWFJFHSA-N 320.775 4.169 0 40 DIAB C[C@@H](CN1CC2CCC(CC2)C1)C(=O)c1ccc(Cl)s1 6487188 QUOYCTBLNABMIY-HIFPTAJRSA-N 311.878 4.342 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1C 6811379 IJLMXGIGLSVICR-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Clc1ccc2c(Sc3nnc4ccccn34)ccnc2c1 7982247 HKIAYKLDNNAUSA-UHFFFAOYSA-N 312.785 4.082 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)s1 8102846 VQFKZKYEEUDGLN-UHFFFAOYSA-N 320.464 4.236 0 40 DIAB CC(=O)NCCc1ccc(-c2csc(-c3ccccc3)n2)cc1 8208337 XRVHPRQVUXKYPF-UHFFFAOYSA-N 322.433 4.156 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2C(F)(F)F)C1 8222729 KDXYFNKTADMWQH-PHIMTYICSA-N 300.324 4.215 0 40 DIAB Cc1ccc(/C=C/C(=O)N/N=C/c2cccc3ccccc23)cc1 8371607 LMNMJSIPZBYWNH-NHRABQJNSA-N 314.388 4.312 0 40 DIAB Cc1[nH]c2c(C(=O)N[C@H](C)Cc3cccs3)cccc2c1C 12204007 RDXWWTZKUDLNHA-LLVKDONJSA-N 312.438 4.207 0 40 DIAB Cc1nnc(S[C@@H](C)c2nc3ccccc3s2)n1C1CC1 12748844 QSCNGVZYZVWJAP-VIFPVBQESA-N 316.455 4.384 0 40 DIAB Cc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 21002812 HMNCTCGIKLONBJ-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(C(F)(F)F)cc1 30114942 JESAIVBXPYVTGC-MRVPVSSYSA-N 317.694 4.443 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc3ccccc3[nH]1)C2=O 33693873 BHTMTONVMPPLBO-VMDBXTETSA-N 300.427 4.049 0 40 DIAB CCc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 33889434 ASARAWRSNVJSBQ-DTTGVSNYSA-N 300.442 4.172 0 40 DIAB c1ccc2c(c1)OCC[C@H]2Nc1ncnc2sc3c(c12)CCC3 35684551 BXMZTTJQYCKVLE-CYBMUJFWSA-N 323.421 4.116 0 40 DIAB COC(=O)c1ccc(Cl)c(N[C@H](C)CCc2ccco2)c1 37047991 RCOVCONQRHKOQY-LLVKDONJSA-N 307.777 4.153 0 40 DIAB Cc1cccc(C)c1NC(=O)c1ccc(Cn2ccnc2C)cc1 38833499 UNJGZLRXZUKZOL-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB COCc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 40070315 FTAQIISXNYEOKQ-UHFFFAOYSA-N 323.436 4.289 0 40 DIAB Cc1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1C 40095358 PEGYAZOYJCHOAZ-UHFFFAOYSA-N 302.805 4.321 0 40 DIAB c1ccc(C2=N[C@H]3N=C(c4cccs4)S[C@H]3S2)cc1 41097572 VQTDDZJWSUBKFQ-SMDDNHRTSA-N 302.449 4.087 0 40 DIAB Fc1ccc2nc([C@H]3CCN(CC4CCCCC4)C3)[nH]c2c1 49168996 KMIYUCGSZHWGDV-AWEZNQCLSA-N 301.409 4.072 0 40 DIAB biogenic,in-vitro COc1c(CN[C@H](C)c2cc(C)sc2C)c(C(C)C)nn1C 58404213 AUVXCUSSIBIZGQ-GFCCVEGCSA-N 321.490 4.081 0 40 DIAB COc1ccccc1-c1csc(-c2cccc(C(=O)O)c2)n1 58441893 NDOGHBIQYAOBPG-UHFFFAOYSA-N 311.362 4.184 0 40 DIAB c1csc(CN(Cc2noc(-c3cccs3)n2)C2CC2)c1 65478538 USGCHQCZIWVCIN-UHFFFAOYSA-N 317.439 4.024 0 40 DIAB Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 71851069 ZXWBWKYQNZXTPA-PWSUYJOCSA-N 320.820 4.268 0 40 DIAB Cc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72211319 HBPAUABQPNBSHT-GOSISDBHSA-N 310.397 4.254 0 40 DIAB FC(F)Cn1cc(NCc2ccc(-c3ccccc3)cc2)cn1 89851165 STTABSBHNBCQKV-UHFFFAOYSA-N 313.351 4.427 0 40 DIAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1C[C@H]2CC[C@H]1C2 106522963 ZXOFTGNSRYCLGG-DZKIICNBSA-N 312.438 4.109 0 40 DIAB Cc1ccc(Cl)cc1Nc1ccc(C(=O)NC(C)C)cc1N 225426558 KALHDSXAGYDGLM-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CCCCOc1ccc(-c2nc(O)c3ccccc3n2)cc1OC 575410997 UDAFNJZESLARIC-UHFFFAOYSA-N 324.380 4.190 0 40 DIAB O=C(N[C@H](c1ccsc1)c1cccs1)[C@@H]1CC=CCC1 575414675 IJMGLNFIARXHNR-IUODEOHRSA-N 303.452 4.372 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)Cc2csc3ccccc23)c(C)o1 575618670 AUTVDGTUIVMLRO-NSHDSACASA-N 313.422 4.472 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)n1cnc2ccccc21 140857 YFQPEAYZAUNOKQ-RNCFNFMXSA-N 309.196 4.268 0 40 DIAB Cc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1 224815 NHMMMOQZXCEUMY-UHFFFAOYSA-N 318.372 4.117 0 40 DIAB CC1(C)Cc2nc3sc4c(Cl)ncnc4c3cc2CS1 327608 JHHGKFFMQDARIY-UHFFFAOYSA-N 321.858 4.461 0 40 DIAB O=C(CCc1cccc(Br)c1)c1ccccc1F 2516723 XBIZMMGVWCUHGU-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 3524170 QBOLQYLTMSSIEO-LLVKDONJSA-N 307.752 4.194 0 40 DIAB Cc1ccc(NC(=O)Nc2ccccc2)cc1N1CCCCC1=O 5441854 KLIXERVHOZMOSG-UHFFFAOYSA-N 323.396 4.156 0 40 DIAB CCC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl 5793989 XXMMTOQSUSSNBK-NSHDSACASA-N 318.244 4.457 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(F)cc1 6232109 SSZHQMHDKFXEGL-UHFFFAOYSA-N 301.361 4.275 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC 6274252 MOKKTADODPWDJW-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB CCCOc1ccc(NC(=O)c2ccc(Br)o2)cc1 7660227 LYDZUBWSIDTICY-UHFFFAOYSA-N 324.174 4.083 0 40 DIAB CCCN(CCC)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 9061919 KHVUEBCJSJWMLX-UHFFFAOYSA-N 324.273 4.113 0 40 DIAB Cc1ccc(SCCNC(=O)c2ccccc2Cl)cc1 9888955 PGASVNRSJAQXMF-UHFFFAOYSA-N 305.830 4.171 0 40 DIAB Cc1ccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)cc1 10166027 BTBIIVMFAAJZDJ-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(Cl)cc1 11994145 RITAZZIEZALZEJ-WEVVVXLNSA-N 318.756 4.025 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c(C)c1 12740547 WINKROKPIQQTBD-ZDUSSCGKSA-N 323.396 4.192 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 12770813 HTDNUBZIWBEVFT-YQKVRLQISA-N 311.381 4.372 0 40 DIAB COc1cccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)c1 12864437 ADLBRKBXWBGREV-LJQANCHMSA-N 311.425 4.141 0 40 DIAB CC(C)c1cc(C(=O)Nc2ccccc2)c2cnn(C(C)C)c2n1 12887794 HFNSPGGWVDWKGV-UHFFFAOYSA-N 322.412 4.388 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(Cl)c1Cl 13391145 FSAVQKIVOYGLMY-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CCOc1ccccc1NC(=S)NC1CCCCCCC1 13818584 ZIMVWCDRKXFDOK-UHFFFAOYSA-N 306.475 4.485 0 40 DIAB O=c1[nH]c2c(-c3ccccc3)sc(=S)n2c2ccccc12 15828627 BSVZQWJEKOUDMS-UHFFFAOYSA-N 310.403 4.239 0 40 DIAB CCOC(=O)c1ccc(-c2nc3ccccc3o2)cc1Cl 20154448 ILWIGOOLQLTJLW-UHFFFAOYSA-N 301.729 4.325 0 40 DIAB Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 20220991 XXYRIDCSFOLZDZ-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 22532841 HRCWRRNLONIKPK-QGZVFWFLSA-N 322.452 4.082 0 40 DIAB Cc1ccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1 28303487 MXMJEXMCKUBVOK-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB C[C@H](Nc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 28907737 PXFNPIAYHXYQAB-ZDUSSCGKSA-N 306.837 4.147 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1C 32476815 ADMICGKWKPTAHJ-APWZRJJASA-N 323.436 4.265 0 40 DIAB Cc1c(O)c(-c2ccno2)cc2c(-c3ccccc3)cc(=O)oc12 32608323 FCPRSJUJBVNJFX-UHFFFAOYSA-N 319.316 4.129 0 40 DIAB C[C@@H](NC(=O)CC1CCCC1)c1cccc(Br)c1 32796150 CZPPFOFZOMBWRD-LLVKDONJSA-N 310.235 4.207 0 40 DIAB C[C@H](Cc1cccs1)NC(=O)Cc1cccc2ccccc12 33203531 ZHWDILUTVGVXSR-CQSZACIVSA-N 309.434 4.191 0 40 DIAB Cc1cc(F)ccc1C(=O)Nc1cccc(Br)c1 33411659 WZOBJORXJROPHI-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC[C@](C)(Nc1ccc(C)cc1)c1nnnn1-c1cccc(C)c1 35622148 DTYYWWROUVLSSX-IBGZPJMESA-N 321.428 4.016 0 40 DIAB Cc1cc(C)n(-c2ncnc3scc(-c4cccs4)c23)n1 36646076 KAENIOMSQGNQPR-UHFFFAOYSA-N 312.423 4.222 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1c2ccccc2C[C@H]1C 38756830 CTWJWFAAGOLAEC-APWZRJJASA-N 323.436 4.439 0 40 DIAB CCCc1ccccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 40133624 ZPUPXVRWHSYJIH-UHFFFAOYSA-N 311.381 4.312 0 40 DIAB NC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3)cs2)c1 48354297 KYTGGINJJGNCIY-UHFFFAOYSA-N 314.797 4.229 0 40 DIAB CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 48784238 XNKCBYPFAKQKHU-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB CCOc1ccc(NC(=O)Nc2cccc(SC)c2)cc1 51355994 PUQVFAJVJPWRGW-UHFFFAOYSA-N 302.399 4.451 0 40 DIAB CSc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 57416261 KEWUKGPEJDBUJN-UHFFFAOYSA-N 317.479 4.279 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=O)N1CCCC[C@H]1C 59843435 DSFBGKAAHNRECY-SECBINFHSA-N 302.201 4.017 0 40 DIAB O=C(c1cccs1)N1CCC(c2cc3ccccc3[nH]2)CC1 65918606 ITPUODMKEADESR-UHFFFAOYSA-N 310.422 4.249 0 40 DIAB Cc1ccc2cccc(NC(=O)N(C)[C@H](C)c3ccccn3)c2n1 71907970 YSWMYTWXJORWKQ-CQSZACIVSA-N 320.396 4.163 0 40 DIAB CC(C)c1nc(C[S@](=O)Cc2ccc(Cl)s2)cs1 78394573 IGACBDPYEQTXAS-GOSISDBHSA-N 319.904 4.430 0 40 DIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)Nc1ncc(F)cn1 95972389 VEYRNQPCJCJMAF-LLVKDONJSA-N 314.389 4.221 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C)c(C)c2)on1 106832880 JSJMKUSLAUSVMQ-KURKYZTESA-N 324.424 4.067 0 40 DIAB O=C(c1ccccc1Br)c1c[nH]c2ccc(F)cc12 111683198 UACLQDAPDBKERF-UHFFFAOYSA-N 318.145 4.301 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 118925989 VIQFMADXQMGZER-HUTKLZKUSA-N 319.533 4.353 0 40 DIAB CCOP(=O)(OCC)C(C)(F)P(=O)(OCC)OCC 138340355 IHRFDFJMRCESDJ-UHFFFAOYSA-N 320.234 4.162 0 40 DIAB Fc1ccc(CCNc2ncnc3cc(Cl)ccc23)cc1 170596797 RCUHMMDDBJNUCX-UHFFFAOYSA-N 301.752 4.077 0 40 DIAB Cc1ccn2c(-c3nnc(-c4ccccc4Cl)o3)c(C)nc2c1 216608810 UZIBGAGKCDKYSF-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB Cc1cc(C)cc(CSCC(=O)NCC2CCCCC2)c1 223402309 SVYURNMDYKNHRC-UHFFFAOYSA-N 305.487 4.233 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 224562327 CCOIKZFNINTJNB-NSHDSACASA-N 321.779 4.369 0 40 DIAB CCCCCNC(=O)CSCc1ccc(Cl)cc1F 225648428 RVHPDBIDSCITOT-UHFFFAOYSA-N 303.830 4.019 0 40 DIAB Cc1ccc(Cc2ccc(C(=O)O)n2Cc2ccc(F)cc2)cc1 226029937 VTAMLZDXGGBWSF-UHFFFAOYSA-N 323.367 4.273 0 40 DIAB c1ccc([C@H]2C[C@H](Nc3ccc(-c4cnco4)cc3)CCN2)cc1 518339179 QFRKFRMZBCNLQO-RTBURBONSA-N 319.408 4.247 0 40 DIAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 327743 IAZAKHOIVWXETH-UHFFFAOYSA-N 321.163 4.227 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1ccc(Cl)s1 381339 ACGYPAZYPLSKMH-UHFFFAOYSA-N 309.799 4.368 0 40 DIAB CCc1cc2cccc(C)c2nc1SCC(=O)OC(C)C 412699 INGXWSGKCDKLLD-UHFFFAOYSA-N 303.427 4.149 0 40 DIAB Cn1cc(CCC(=O)c2cn(C)c3ccccc23)c2ccccc21 490775 SFOYHYOTQSCCRR-UHFFFAOYSA-N 316.404 4.486 0 40 DIAB biogenic C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 493248 VFGLASWXMXYGTI-HNNXBMFYSA-N 305.377 4.096 0 40 DIAB C[C@H]1C[C@H](C)CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 536052 WJRUYSMPAWJXJF-QWRGUYRKSA-N 314.820 4.247 0 40 DIAB CCOc1ccccc1NC(=O)CSCc1cccc(C)c1 1290519 PJJUTVWRNGXXNH-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CC=CC1 2515899 LVJDHNVZGVJALW-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB Cc1cnc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)s1 3282388 DFTNXSBJYPSRAQ-CYBMUJFWSA-N 308.834 4.483 0 40 DIAB Cc1csc(SCC(=O)Nc2ccccc2C(C)C)n1 3413926 NKKNUMHFMVTWKU-UHFFFAOYSA-N 306.456 4.306 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl 3524217 WSAGQYADKMJJAK-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB Cc1csc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n1 3562026 SZDNEDOHEJKTTJ-AATRIKPKSA-N 312.316 4.122 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 3609029 UPRYWDGLZUMLLM-HXUWFJFHSA-N 318.420 4.294 0 40 DIAB Cc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 4355060 LDKPYTGISMRUGE-UHFFFAOYSA-N 321.428 4.259 0 40 DIAB Cc1occc1-c1nnc2sc(-c3cc4ccccc4o3)nn12 4511834 FZOZFAUHEAHEAA-UHFFFAOYSA-N 322.349 4.167 0 40 DIAB Cc1ccc(CSc2nc3c(c(N(C)C)n2)CCCC3)cc1 5541229 KDHWKKKCTGJCJO-UHFFFAOYSA-N 313.470 4.022 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 6393160 LVYWUYWQYHLGCT-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@H]1c1c(F)cccc1Cl 7886434 DWIMQEMKALJVOJ-MRXNPFEDSA-N 318.779 4.456 0 40 DIAB CC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1 8191112 QOASYJFYHNKYQD-UHFFFAOYSA-N 313.422 4.070 0 40 DIAB Cc1cccc(NC(=O)/C=C/c2ccc(Br)s2)c1 8206467 ACIUYOOVQMRDMU-SOFGYWHQSA-N 322.227 4.471 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8238393 FUSDMFVZOREPAM-CQSZACIVSA-N 323.392 4.251 0 40 DIAB O=C(c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 9341457 VCKMTARHZDQUIZ-UHFFFAOYSA-N 318.420 4.263 0 40 DIAB Cc1nn(C(C)C)c(C)c1CN1CCn2cccc2[C@H]1C(C)C 12188598 IWSNBGPNYUCWMR-LJQANCHMSA-N 314.477 4.095 0 40 DIAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccco1 12737433 ZGPBCLYZOAYKLD-UHFFFAOYSA-N 319.666 4.126 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 14255715 QCEXFUFXBNJOKS-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(C)cc1 14602486 GXSFPXLCPPOOES-QGZVFWFLSA-N 301.817 4.458 0 40 DIAB Cc1sc2nc(C(C)C)[nH]c(=O)c2c1-c1ccc(F)cc1 20345779 RUCYWLJHUJYDGO-UHFFFAOYSA-N 302.374 4.223 0 40 DIAB CC[C@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 22382260 PHYJFEFHQQEMQH-CYBMUJFWSA-N 319.351 4.212 0 40 DIAB COc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 23233187 RJLPUWJCOSEOFU-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB Cc1[nH]c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2c1C 26567557 RRDOOMUJLVYPGP-UHFFFAOYSA-N 314.414 4.012 0 40 DIAB Cc1ccc(NC(=O)CSc2ccc(-c3ccncc3)o2)cc1 28527566 JZBPBDGCYHPXKQ-UHFFFAOYSA-N 324.405 4.381 0 40 DIAB CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C=O)c2)c1 40449486 NUHQVECRWAHQHJ-UHFFFAOYSA-N 311.381 4.191 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1C 40525389 KGDYCFSKMRCQQD-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB CSc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1 49547148 WTKZCBGJUQVRCH-ZDUSSCGKSA-N 315.442 4.484 0 40 DIAB CCN(CCc1ccccc1)Cc1noc(-c2cccc(C)c2)n1 58174186 IXHMPAAJQJYKHC-UHFFFAOYSA-N 321.424 4.110 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)cc2s1 102098600 UNRQYLHXHJEGEC-JHJVBQTASA-N 300.427 4.370 0 40 DIAB Cc1cccc(C)c1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225030736 IZERRQBBGJPGLA-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCOc1ccc(-c2noc(-c3cc(N)ccc3Cl)n2)cc1 225172705 MIWOULZYPRTLFB-UHFFFAOYSA-N 315.760 4.038 0 40 DIAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(C)cc2)c1 225873854 OKDDUXNVLCFKLM-UHFFFAOYSA-N 309.453 4.369 0 40 DIAB Cc1ccc2oc(Cc3ccccc3Br)nc2c1 228954133 JRMCIOMVUMQUNT-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccccc3)C2)n1 257230555 GCVRIYAOYMYQMO-QGZVFWFLSA-N 319.408 4.035 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Br 307301069 JRVZGTXMXQPDBT-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccsc1 390832358 YXHGOSHMEAYLDK-UHFFFAOYSA-N 306.456 4.182 0 40 DIAB O=C(CSC1CCCC1)N1CC2(CC(c3ccccc3)C2)C1 1889148968 FTYGPVXPAKRRSR-UHFFFAOYSA-N 315.482 4.068 0 40 DIAB CN1CC[C@@](OC(=O)c2ccccc2)(c2ccccc2)C(C)(C)C1 80847 ZKZBUCGVJVYHEN-OAQYLSRUSA-N 323.436 4.101 0 40 DIAB Cc1onc(-c2ccccc2)c1NC(=O)O[C@H](C)c1cccnc1 1572097 LVFFEDHXFVISBE-GFCCVEGCSA-N 323.352 4.355 0 40 DIAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(C)o3)s2)c1 2709815 NKESGPFHUCOJIG-UHFFFAOYSA-N 312.394 4.196 0 40 DIAB C[C@@H]1CCc2c(C(=O)NCc3ccc(Cl)cc3)csc2C1 3417848 HIQFHWFTTIXHCA-LLVKDONJSA-N 319.857 4.456 0 40 DIAB O=C(CN1CCCCC1)Nc1cc(Cl)c(Cl)cc1Cl 3582647 WMRYPTWHJVTKGL-UHFFFAOYSA-N 321.635 4.071 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 5546026 AARIBYDYSSRQAV-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB CN(Cc1cccs1)C(=O)/C=C/c1nc2ccccc2s1 5704354 AVIKETNLYKIDBG-CMDGGOBGSA-N 314.435 4.030 0 40 DIAB CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C 6463941 MKODAISJKYLOJI-UHFFFAOYSA-N 309.287 4.253 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)c(C)c2)c1C 6510643 JGUBBUPYYKEEHG-UHFFFAOYSA-N 319.788 4.058 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 7242261 RDQJQBFYYUNGQW-CQSZACIVSA-N 308.425 4.177 0 40 DIAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 7583995 PVVMQPWWETYXQP-GFCCVEGCSA-N 318.417 4.272 0 40 DIAB CC[C@@H](NC(=S)Nc1ccccc1F)c1ccc(OC)cc1 8085571 ZTIJBRCLHLILIR-OAHLLOKOSA-N 318.417 4.272 0 40 DIAB COc1ccc(C2(NCc3ccc4ncccc4c3)CC2)cc1 12361883 KPRCMTYUDUMPOV-UHFFFAOYSA-N 304.393 4.022 0 40 DIAB CC[C@@H](C)c1ccc(NC(=S)N[C@H](C)[C@@H]2CCCO2)cc1 13497541 VZNJKBBAYIQBMP-IOASZLSFSA-N 306.475 4.054 0 40 DIAB Cc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 13668802 NPCSLWHFGUBVKL-MRXNPFEDSA-N 313.466 4.225 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(C)C 14784310 YWIXEQAXNYABCG-CQSZACIVSA-N 313.397 4.225 0 40 DIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1cc(Cl)cc(Cl)c1 15441587 JRGMSRAPYSMYNS-VXGBXAGGSA-N 301.169 4.067 0 40 DIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1cccs1 24148789 SMIHJGQIMJERCL-SNVBAGLBSA-N 305.428 4.053 0 40 DIAB CCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27584006 MWGAYMDASWGHAG-KRWDZBQOSA-N 322.880 4.173 0 40 DIAB Cn1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccccc21 27923845 MHLGGYLKGINQKG-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB CCOc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 28239960 HCOIWZIRYBKEJW-UHFFFAOYSA-N 311.410 4.216 0 40 DIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2)cc1 31820886 QTXBTXTZDCHGGD-MRXNPFEDSA-N 319.364 4.005 0 40 DIAB O=C(NCC1CC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 40051568 IAQVMVOLUOVKSF-AGXSTUJCSA-N 309.453 4.051 0 40 DIAB O=C(Nc1ccc(-c2ccccc2)nc1Cl)c1cccnc1 40816654 AEGTXUJXRGXFMF-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB COc1ccccc1-c1ccccc1C(=O)Nc1cccnc1 47699093 WPXSBWBSJYVPLD-UHFFFAOYSA-N 304.349 4.010 0 40 DIAB CC(C)N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 57129147 TZKRYYUSHJJOQG-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic CCSc1nnc(Cc2cccs2)n1-c1ccccc1 57853883 IPRGBOTWAYPESX-UHFFFAOYSA-N 301.440 4.032 0 40 DIAB Cc1csc(-c2cccc(NC(=O)CCc3ccccn3)c2)n1 69528382 NDFIMPXBLOWDEE-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc(C=O)cc2)cc1 72193608 YOOZJCQOKJTRAA-JYRVWZFOSA-N 308.377 4.415 0 40 DIAB CC(C)(C)[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCC1 79495736 GPCKOSMANNTUEF-LBPRGKRZSA-N 309.435 4.126 0 40 DIAB C[C@H]1CCC[C@@]2(C1)NC(=S)c1c(sc3c1C[C@H](C)CC3)N2 95117523 BRBYVAZQXIYOLV-VGTOOOLASA-N 320.527 4.470 0 40 DIAB C[C@H](OC(=O)Cc1cccs1)c1nc2ccccc2s1 95347409 CBXIQODGXVQZSJ-JTQLQIEISA-N 303.408 4.205 0 40 DIAB CC(C)Cc1ncc(CN[C@@H]2c3ccccc3C[C@@H]2C)s1 97020289 VXBVVYIZJQXZAU-UGSOOPFHSA-N 300.471 4.365 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2 102232021 OUKFDYXJVKKWSX-SNRMKQJTSA-N 303.405 4.104 0 40 DIAB CCC[C@@H](C)NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225263906 XRQKXYHFMVRJNA-CQSZACIVSA-N 321.424 4.457 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1 225654128 CKYLYJKHKXZKCX-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 225764188 YHNKUDAWRTXCLM-GFCCVEGCSA-N 305.780 4.207 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 253524948 MGMOLZNAUACBCR-UTNZCHACSA-N 318.457 4.011 0 40 DIAB CN(C)CCOc1cccc(F)c1Oc1ccc(Cl)cc1 585265645 WFXIOALQYSXKPZ-UHFFFAOYSA-N 309.768 4.212 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@@H](c3ccsc3)C2)cc1 669642880 SNZRLWFHTRBLKG-CYBMUJFWSA-N 316.426 4.168 0 40 DIAB CCOC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 116422 IDWZJSVMZVUKLH-UHFFFAOYSA-N 303.745 4.139 0 40 DIAB COc1ccc(CNC(=O)c2oc3c(C)c(C)ccc3c2C)cc1 387712 CNBSNVNSRDWCMC-UHFFFAOYSA-N 323.392 4.297 0 40 DIAB C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1-c1ccccc1 411474 LEMNCDPTRIEGFF-VQIMIIECSA-N 322.452 4.460 0 40 DIAB Cc1cccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)c1 426363 CTQVDIVACCDMGM-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB O[C@@](CCN1CCCCCC1)(Cc1ccccc1)c1ccccc1 1615892 WQEUYXOZRDYRAH-QFIPXVFZSA-N 323.480 4.383 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)OCCOc1ccccc1 1741550 TUWLCCXIMIAEKJ-UHFFFAOYSA-N 305.761 4.276 0 40 DIAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2)cc1 3454270 ZAAZJKGIODLMTJ-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1 4141656 NSHMBUIZGKYJGC-UHFFFAOYSA-N 311.381 4.207 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2c(F)cccc2Cl)[C@@H]1C 4652577 CRIVOBJCBMEMDD-SSXJYMGYSA-N 309.812 4.433 0 40 DIAB CCCCN1C(=O)S/C(=C\C(C)=C\c2ccccc2)C1=O 5552456 FXQRCDOJKTVKBW-DZIWGARNSA-N 301.411 4.469 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1C(F)(F)F 6344128 USMPOGVVUJGFCM-GXDHUFHOSA-N 317.266 4.050 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CC(C)(C)C 6353234 UVWNYOGRFBPMFH-GFCCVEGCSA-N 301.386 4.027 0 40 DIAB COc1ccccc1C(=O)N[C@@H](C)c1cccc2ccccc12 7990208 SNHRATKOAXSECW-AWEZNQCLSA-N 305.377 4.339 0 40 DIAB CCc1ccccc1NC(=O)CCSCc1csc(C)n1 9065683 ZLJZKONNMRZMHJ-UHFFFAOYSA-N 320.483 4.276 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)-c1ccccc1C2 9316500 LROSFVVCGSQPCN-UHFFFAOYSA-N 318.376 4.044 0 40 DIAB Cc1ccc2cc3c(NC(=O)C(C)C)nn(CC(C)C)c3nc2c1 9411224 ARLHNXBSBGFJTE-UHFFFAOYSA-N 324.428 4.143 0 40 DIAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2cnnc2s1 9576753 OWQZMRCYICFGAK-NSHDSACASA-N 324.384 4.144 0 40 DIAB Cc1ccc(C)c(C(=O)NCc2csc(-c3ccccc3)n2)c1 12798402 PVMDSPMJRUCTDL-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB Cc1nc2cc(C(=O)OCC(C)C)ccc2n1-c1ccccc1 14093910 AMZHNGLJNOZAQL-UHFFFAOYSA-N 308.381 4.147 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 15519616 IDHYGGVQOKQEJQ-ZDUSSCGKSA-N 315.438 4.377 0 40 DIAB C[C@@H]1CCCCN1C(=S)Nc1ccc(C(F)(F)F)cc1 17030795 IJZKUJUXXXRFJN-SNVBAGLBSA-N 302.365 4.277 0 40 DIAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1 19736683 JRLCGGRSASPQAP-ZIAGYGMSSA-N 312.413 4.188 0 40 DIAB CC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258228 CHQRHKQOBJTOGW-CYBMUJFWSA-N 317.816 4.447 0 40 DIAB Cc1ccsc1C(=O)Nc1ccccc1N1CCCCC1 28468717 WDJWDFSILPDPSH-UHFFFAOYSA-N 300.427 4.299 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1F 30057069 VOCJNIDYCAZJCC-UHFFFAOYSA-N 319.351 4.280 0 40 DIAB COC(=O)c1c(/C=C/c2cc3ccccc3o2)cccc1OC 35973575 MWFUYCTXGGYJLV-ZHACJKMWSA-N 308.333 4.398 0 40 DIAB Cc1cc(C(=O)N(Cc2ccsc2)CC(F)(F)F)c(C)o1 44447457 YAWBOOMUXOEDBS-UHFFFAOYSA-N 317.332 4.163 0 40 DIAB Cc1noc([C@@H](C)N2CCC(c3c(C)[nH]c4ccccc34)CC2)n1 52464956 WEYZOMRZFXCACO-CYBMUJFWSA-N 324.428 4.108 0 40 DIAB COc1ccc2ccccc2c1CN[C@H]1CCOc2ccccc21 57681661 ATDOTRXJWZIZRH-IBGZPJMESA-N 319.404 4.462 0 40 DIAB C[C@@H]1CCCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 63400165 NFHKJHREPDZZKK-GFCCVEGCSA-N 314.351 4.037 0 40 DIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(OC)c1 71844198 ZRJJKRIJMJWIIN-UXHICEINSA-N 323.436 4.494 0 40 DIAB O=C(O)[C@@H](Sc1ccnc(-c2ccccc2)n1)c1ccccc1 72265550 OCGVSYPAJFXNQX-INIZCTEOSA-N 322.389 4.062 0 40 DIAB CC(C)c1ocnc1C(=O)N1CCC(=Cc2ccccc2)CC1 95408088 VLMLHDCVUKWYEL-UHFFFAOYSA-N 310.397 4.118 0 40 DIAB COc1ccc(F)cc1C(=O)c1ccc(C)c(Br)c1 95916937 QNHNJFXZHBFWBV-UHFFFAOYSA-N 323.161 4.136 0 40 DIAB Cc1cc(C)n(C[C@H](C)CN[C@H]2CC(C)(C)Cc3occc32)n1 95967321 ZJNQTUBSEBZFSC-DYVFJYSZSA-N 315.461 4.032 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)cc2nc1C 100226336 QLTRCKARDKMNRT-RBSFLKMASA-N 309.413 4.011 0 40 DIAB C[C@H](NC(=O)c1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 100604111 IGMNBLIBHADVHT-FMCLSXCISA-N 322.246 4.004 0 40 DIAB Cc1nc2cc(-c3ccccc3)nn2c(O)c1Cc1ccccc1 102670884 MHXNZIXSGWCFNH-UHFFFAOYSA-N 315.376 4.001 0 40 DIAB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](NCc1ccc(C(=O)O)cc1)(C3)C2 217963144 ASFWDZXKFWCQKK-DAILNLJWSA-N 313.441 4.223 0 40 DIAB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223216269 MHSHJAQJNLNAOQ-INIZCTEOSA-N 307.437 4.212 0 40 DIAB O=C(CCc1cccc2ccccc12)NCCc1ccc(F)cc1 224939523 RKVGZHBGHWWQFU-UHFFFAOYSA-N 321.395 4.270 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225729266 VFYSZABFXFGBPM-RDTXWAMCSA-N 307.434 4.398 0 40 DIAB CC1CCC(N(Cc2ccc(F)cc2C(=O)O)C2CC2)CC1 575810885 XUCGAIMTFJZVLC-UHFFFAOYSA-N 305.393 4.067 0 40 DIAB CCOc1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1 144554 FBIIVRLLNKYTDS-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c(C)c1 364843 MEOUSBBZGRIXMM-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1csc(SCC(=O)Nc2ccccc2C(C)(C)C)n1 3288972 TYRFOACNPZKOHZ-UHFFFAOYSA-N 320.483 4.480 0 40 DIAB Clc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 4511846 UVXSEBWZBMHQGW-UHFFFAOYSA-N 318.814 4.235 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H]2CCCc3ccccc32)cc1 5442820 GEABQTFADXIHQC-GOSISDBHSA-N 311.450 4.281 0 40 DIAB Cc1ccc(-c2c(C)[n+]([O-])c(-c3ccc(C(C)C)cc3)n2O)cc1 5746677 IYBYBICOWFFVNK-UHFFFAOYSA-N 322.408 4.433 0 40 DIAB Cc1ccc(NC(=O)CSCc2ccccc2F)cc1C 7158570 KCIXVJWHSWVFJM-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 7829555 DBDRXMOWPKMTHM-NTYUQYKDSA-N 301.386 4.046 0 40 DIAB Cc1ccccc1C(=O)NCCCCOc1ccc(Cl)cc1 11084682 BEXFCAKZWNDORZ-UHFFFAOYSA-N 317.816 4.237 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(Cl)c1)C2 12619983 NOOHDHIWXXMVRK-OAHLLOKOSA-N 303.814 4.304 0 40 DIAB O=C(c1cc(-c2csc(-c3ccccc3)n2)c[nH]1)N1CCCC1 12980298 KSMUSEANFCIAFJ-UHFFFAOYSA-N 323.421 4.041 0 40 DIAB COc1cccc(NC(=O)Nc2cccc(Br)c2)c1 13048717 VUQXVWZBSYNUNQ-UHFFFAOYSA-N 321.174 4.102 0 40 DIAB Cc1cccc(-c2nnc([C@H](C)N(C)Cc3ccccc3)o2)c1 15462026 SWRCHZMPZLPZLL-HNNXBMFYSA-N 307.397 4.238 0 40 DIAB CCOc1ccc(-c2n[nH]c3c2cnc2ccc(C)cc23)cc1 21365411 GLWSACJQVJLWCE-UHFFFAOYSA-N 303.365 4.485 0 40 DIAB COc1cccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 29921684 YFZXHPKLAFBZGC-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB O=C(c1cc2ccccc2o1)N(Cc1ccco1)Cc1ccco1 30471910 BZGLOSXXXHLYPO-UHFFFAOYSA-N 321.332 4.461 0 40 DIAB Cc1cc(NC(=O)c2cccc(Cl)c2)n(C2CCCC2)n1 32609637 ATHHMVZMPPLNBZ-UHFFFAOYSA-N 303.793 4.212 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2[nH]1 32760327 ZNOVCPKHWZDESG-NSHDSACASA-N 310.784 4.413 0 40 DIAB Cc1ccccc1-n1c(Cc2c[nH]c3ccccc23)n[nH]c1=S 33808204 FPVPHGICTUFUBK-UHFFFAOYSA-N 320.421 4.310 0 40 DIAB O=C(c1cccc(Br)c1)c1cncc2ccccc12 45028885 BJAJGDVVIADVQB-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2Br)C1 48312029 LBUFULDSXKVZDQ-MNOVXSKESA-N 311.223 4.149 0 40 DIAB O=C(/C=C/c1ccccn1)Nc1ccc(Nc2ccccc2)cc1 56423519 SHFTZTSZECLLSI-BUHFOSPRSA-N 315.376 4.477 0 40 DIAB Cc1cccc(CCNC(=O)c2cc3ccc(C)cc3nc2C)c1 60323367 IOAPWGJQMOFVDK-UHFFFAOYSA-N 318.420 4.133 0 40 DIAB Clc1cccc2c1CC[C@@H]2Nc1nc(-c2ccccc2)no1 69516078 NUKBEDKFCIPMDC-HNNXBMFYSA-N 311.772 4.489 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213835 LEFPAPMFZAFVBG-OAHLLOKOSA-N 317.433 4.118 0 40 DIAB Cc1cc2oc(C(=O)Nc3cccc(C)c3C)cc(=O)c2cc1C 72238591 DBCXQMYFXZBWRL-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(C)C)n[nH]2)cc1 72309642 IVRLXAHETZPXJN-CYBMUJFWSA-N 300.406 4.066 0 40 DIAB CCCc1noc(-c2cccc(CN[C@@H](C)c3ccco3)c2)n1 95421658 UAGPZEYNMCUVAX-ZDUSSCGKSA-N 311.385 4.133 0 40 DIAB C[C@@H](N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccco1 95421802 KKZMMPPJNGWWSY-KZULUSFZSA-N 314.335 4.393 0 40 DIAB Clc1nc2ccccc2n1-c1ccc(Br)cc1 95915797 XRQJTXNDYNMGCR-UHFFFAOYSA-N 307.578 4.441 0 40 DIAB Cc1nn(C)c2ncc(SCc3ccccc3Cl)cc12 97000375 QKEMGHUKTPXWPH-UHFFFAOYSA-N 303.818 4.222 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C)c1 113970035 JDRXZBHTMNRYIS-LJQANCHMSA-N 311.425 4.086 0 40 DIAB COC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 216896113 VFZPZPRWQJRHNO-VMPITWQZSA-N 320.747 4.244 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccc(OC(C)C)cc2)cc1 218984055 QFZULHNNSVAKKO-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)c3cc(C)ccc3C)s2)cc1 224925895 LILVSIWZLSNYOT-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB COc1ccccc1C(=O)N1CCCC[C@H]1CSC(C)(C)C 390829822 GVLWSELVUNHVBW-AWEZNQCLSA-N 321.486 4.222 0 40 DIAB O=C(O)c1cccc(NCc2cc(Cl)c(O)c(Cl)c2)c1 408603877 DINUVGYZJIAETB-UHFFFAOYSA-N 312.152 4.009 0 40 DIAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409019546 ZQMBIANZQQGNHX-GHRIWEEISA-N 320.392 4.081 0 40 DIAB COc1ccc(Cl)cc1/C=C1\Sc2ccccc2NC1=O 409102264 YJOORSQMIGAOHT-DHDCSXOGSA-N 317.797 4.434 0 40 DIAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(OCC)cc1 1775995805 JSEXSGBHZQCNAA-IYBDPMFKSA-N 300.402 4.190 0 40 DIAB CCOC(=O)CCc1c[nH]c2cccc(OCc3ccccc3)c12 1857793091 GPDUOMVJJKFGMJ-UHFFFAOYSA-N 323.392 4.243 0 40 DIAB Cc1cccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1 127349 MZKDLYVAAOZTCZ-UHFFFAOYSA-N 312.372 4.361 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 522016 QVOWQWLTPZCACJ-UHFFFAOYSA-N 321.380 4.388 0 40 DIAB O[C@]1(c2ccccc2)C[C@@H](c2ccccc2)Oc2ccccc21 1023942 VBRFJCHHHLDPTG-SFTDATJTSA-N 302.373 4.446 0 40 DIAB [O-][N+]1=C(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 1561996 OSAUDCINISZLBG-CTNGQTDRSA-N 315.372 4.456 0 40 DIAB c1ccc(OCCSc2nnc3ccc4ccccc4n23)cc1 1924112 OKSDSZCZNNNXPQ-UHFFFAOYSA-N 321.405 4.054 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2cc(C(C)C)ccc2C)cc1 2061770 UZUSTRJILIRQDU-UHFFFAOYSA-N 304.411 4.195 0 40 DIAB Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2s1 3888685 UWISPEUQFVJAGP-UHFFFAOYSA-N 301.318 4.021 0 40 DIAB O=c1sc2ccccc2n1CCCOc1ccccc1Cl 5014138 AZDSJSFJKKSRTR-UHFFFAOYSA-N 319.813 4.186 0 40 DIAB Cc1ccc(/C=C/c2nn3c(-c4ccoc4C)nnc3s2)cc1 5032093 MSNYPHGXDCHJSF-BQYQJAHWSA-N 322.393 4.233 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 7070308 HWSWIMQPMKTNKJ-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB Cc1ccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1 7975141 XGYIYUNTMLLMLN-CQSZACIVSA-N 310.397 4.081 0 40 DIAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(Cl)cc1 8086163 AQULJRXVLIVNGO-ZDUSSCGKSA-N 315.800 4.180 0 40 DIAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2[nH]1 8265354 FNNOGOZFKDSZLF-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB O=C1C[C@@H](c2ccco2)Cc2onc(Nc3ccc(F)cc3)c21 10339432 MXPGRXCKBPQANI-SNVBAGLBSA-N 312.300 4.063 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)c1c2nnc2nc(-c3ccc(F)cc3)cn12 12115560 APPVXLHMGIABLK-YJYMSZOUSA-N 322.387 4.105 0 40 DIAB CC(=O)N1c2ccc(-c3cc4cc(C)ccn4c3)cc2C[C@@H]1C 12235764 MRYOVOFFPQEEMX-AWEZNQCLSA-N 304.393 4.212 0 40 DIAB Fc1ccccc1CSCCNC(=S)Nc1ccccc1 12545573 NGORSWGZUZMBRK-UHFFFAOYSA-N 320.458 4.046 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1sccc1-n1cccc1 12925482 QCRGWCWYBHSQMA-UHFFFAOYSA-N 300.358 4.239 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710532 LTHABFYCYOOBFD-CQSZACIVSA-N 315.438 4.431 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 13932661 MINMBTQVANKHNG-JTQLQIEISA-N 322.380 4.021 0 40 DIAB Cc1cc(C(=O)NCc2ccccc2Cl)c(C)n1C(C)C 15583942 QGUIEMFIESOHHX-UHFFFAOYSA-N 304.821 4.269 0 40 DIAB CCCn1nc(C)c2c(C(=O)Nc3cccc(C)c3)cc(C)nc21 17056115 MUHUBPBPFGPEPC-UHFFFAOYSA-N 322.412 4.019 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2ccncc2)cc1 18238693 QSUDWVZUXLRYFP-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB COc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@H]3CCCC[C@H]32)cc1 19557598 NMNHVLOJRAIBPU-ANULTFPQSA-N 322.452 4.152 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(Cl)c1 20139387 MSBDFHKQNWGRHR-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2ccccc21 22521877 SCNNZQLIRLPUDS-LJQANCHMSA-N 309.409 4.050 0 40 DIAB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 25424770 OSHQSNNMFCKKQE-CYBMUJFWSA-N 308.356 4.418 0 40 DIAB COC1(OC)CCC2=C(CC[C@@H]3C2=CC[C@]2(C)C(=O)CC[C@@H]32)C1 39322996 YEOAIJNHLPFTRM-AOIWGVFYSA-N 316.441 4.182 0 40 DIAB in-vitro CCOC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)c(N)c1 41080051 ITYANJWUNUUNPJ-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccccc2)c1 54971779 AIRMDWLGSCNYPE-ZDUSSCGKSA-N 300.427 4.133 0 40 DIAB C[C@H](O)c1cccc(OCc2coc(-c3cccs3)n2)c1 75094575 FSOLMTHOTVQMIF-NSHDSACASA-N 301.367 4.035 0 40 DIAB COC(=O)c1ccoc1CNC1(c2ccccc2)CCCCC1 75110915 QAFCQKDFCABADV-UHFFFAOYSA-N 313.397 4.015 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(Cl)c1C 75436996 DMOTXYLTSFZURT-UHFFFAOYSA-N 303.793 4.123 0 40 DIAB Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)n1 75969986 NGFZVSAFKVUUQM-WDEREUQCSA-N 323.487 4.251 0 40 DIAB Cc1cnccc1CCNC(=O)c1oc2c(C)ccc(C)c2c1C 89626904 KOSIXYRGCUMZDM-UHFFFAOYSA-N 322.408 4.034 0 40 DIAB Clc1nc2ccc(Br)cc2cc1Br 95098158 FAZGCRLBLCJDIB-UHFFFAOYSA-N 321.399 4.413 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCCC12CCCCC2 95444174 NTENMQBYMAGCMP-HZPDHXFCSA-N 301.405 4.255 0 40 DIAB CCc1cnc([C@@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)s1 95968985 OZBQXVAJJNGJFW-VXGBXAGGSA-N 317.458 4.076 0 40 DIAB COc1cc(C)c(C(=O)NCCc2ccccc2)cc1C(C)C 96726543 CZQZACHIWHIWAQ-UHFFFAOYSA-N 311.425 4.100 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118927771 AVCFDKPWPTVYSF-CUWQQFRDSA-N 304.474 4.349 0 40 DIAB CC(C)c1ccccc1OCC(=O)NCCC1=CCCCC1 222806191 XZBXAHNQBWUDFC-UHFFFAOYSA-N 301.430 4.196 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2ccccc21 222991658 NWDGBVALUAAUTQ-IBGZPJMESA-N 309.409 4.050 0 40 DIAB Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)c(Cl)c1 225000693 GFAKKXYPACTNJX-UHFFFAOYSA-N 317.816 4.366 0 40 DIAB Cc1cc(C)cc(NC(=O)COc2cccc3c2CCCC3)c1 225628477 RDMXNCJSWOEFSA-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB O=C(O)c1sc2c(Br)ccc(F)c2c1Cl 228939740 FGPYVBJKZLSCOY-UHFFFAOYSA-N 309.543 4.155 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO 257346094 QUQBOXYLXZAONE-FKGJNOFZSA-N 320.517 4.389 0 40 DIAB c1cncc(-c2ccc3c([C@H]4CCCN4C4CCC4)ncn3c2)c1 306124632 BVKQAXXOAIZESC-LJQANCHMSA-N 318.424 4.086 0 40 DIAB Cc1cc(Br)cc(C)c1C(=O)COc1ccccc1 575243005 GJPQOINKHRCMMC-UHFFFAOYSA-N 319.198 4.328 0 40 DIAB COc1c(Br)cc(C(F)F)cc1Br 575629096 JEJAVKXAMOUCPE-UHFFFAOYSA-N 315.939 4.158 0 40 DIAB CC(C)CN1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 585182391 GZDBYDFKBAOWAT-KRWDZBQOSA-N 302.393 4.197 0 40 DIAB COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1OC 1009419 DCKKXJJIRMJRBR-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB COc1ccc(CC[C@]2(C)OCC(C)(C)[C@@H](C(C)C)O2)cc1 1670846 VJGJMVLTLIGRGF-IEBWSBKVSA-N 306.446 4.442 0 40 DIAB CCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 2733983 NRWODUFCOAXXBA-NSHDSACASA-N 323.458 4.178 0 40 DIAB CC(C)(C)SCCNC(=O)COc1ccccc1C(C)(C)C 8050477 VOXVKNJRVSWVDI-UHFFFAOYSA-N 323.502 4.011 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 8478973 VIBAMCQHILHFBO-INIZCTEOSA-N 303.446 4.300 0 40 DIAB O=C(O)c1ccc(CNc2ccc(Oc3ccccc3)cc2)o1 8702221 RIWZULROUUKKBT-UHFFFAOYSA-N 309.321 4.382 0 40 DIAB O=C(Nc1cccc2cccnc12)c1cccc(-n2cccc2)c1 8728029 VTTFNGBCQHRPLN-UHFFFAOYSA-N 313.360 4.278 0 40 DIAB CCc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10958288 LRPPQFHQBRTSGB-UHFFFAOYSA-N 322.412 4.135 0 40 DIAB C[C@H](Nc1ncnc2sc3c(c12)CCCC3)c1ccccn1 12534544 JRSBNBRDMSBGHM-NSHDSACASA-N 310.426 4.138 0 40 DIAB c1ccc(-c2c[nH]c(SCc3nc(-c4ccco4)no3)n2)cc1 12544440 FXQCKVQHGJKCLC-UHFFFAOYSA-N 324.365 4.012 0 40 DIAB COc1ccccc1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 12892303 GCTHCNSMMXMEOC-CYBMUJFWSA-N 309.365 4.275 0 40 DIAB CSc1ccc(OCc2nnc(-c3ccc(F)cc3)o2)cc1 12903600 FLODYLNUAMSFRS-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB O=C1[C@H]2CC3=C(CC=CC3)C[C@H]2C(=O)[C@@H]2CC3=C(CC=CC3)C[C@H]12 13407605 JDRLKDPCXUHELF-FGYAAKKASA-N 320.432 4.484 0 40 DIAB biogenic COc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 13675241 PEFXTUYZFFELDN-UHFFFAOYSA-N 311.381 4.269 0 40 DIAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 14049913 HNDGCBUOPJILFK-UHFFFAOYSA-N 320.392 4.475 0 40 DIAB Cc1ccc(C)c(S[C@H](C(=O)NC2CC2)c2ccccc2)c1 14123455 JXCDYDPPFSBHEU-SFHVURJKSA-N 311.450 4.415 0 40 DIAB COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1 15084679 ONJTVDKKZPYERG-AWEZNQCLSA-N 313.422 4.110 0 40 DIAB CCc1ccccc1NC(=O)C1=Cc2cc(OC)ccc2OC=C1 15838772 IRZHNYIUNHCMMG-UHFFFAOYSA-N 321.376 4.186 0 40 DIAB CC[C@@H](C)NC(=O)CCc1sc(C)nc1-c1cccs1 19933145 VNLFTTFCKZQCSC-SNVBAGLBSA-N 308.472 4.027 0 40 DIAB Cc1ccccc1Cn1c(CN2CCCCC2)nc2ccccc21 21171083 LLDSHMLXRFWZNE-UHFFFAOYSA-N 319.452 4.379 0 40 DIAB Cc1cc(C)c(C)c(S[C@@H](C)C(=O)NC2CCCC2)c1C 21327064 UZPBOKVUHDUZJB-HNNXBMFYSA-N 305.487 4.460 0 40 DIAB CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663727 RUPNZVDVXHRWBS-KRWDZBQOSA-N 322.880 4.029 0 40 DIAB C[C@@H](Nc1ncnc2ccccc12)c1ccccc1OC(F)F 31949157 QFBBNKYRLXOZBH-LLVKDONJSA-N 315.323 4.404 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32623040 AGHPZAQCYOVNIW-UHFFFAOYSA-N 321.380 4.451 0 40 DIAB C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1Cl 32803528 LWFRGQQLMJLQEW-IAQYHMDHSA-N 318.804 4.371 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1cc(-c2cccs2)on1 32878708 JZHMRBJSZWORIB-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccccc1 38772358 ZVFXOYLFMUEEJW-MAUKXSAKSA-N 311.425 4.284 0 40 DIAB CC(C)(C)OC(=O)Nc1ccccc1-c1ccccc1C(=O)O 40449463 GPSMEPUFDKKJKA-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB C[C@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1ccncc1 56383511 IIAOLBAHRDUGKY-QWHCGFSZSA-N 317.820 4.199 0 40 DIAB C[C@]12CCCC(=O)[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 68677146 XCTUOBOQUJSQJX-BURNTYAHSA-N 305.421 4.448 0 40 DIAB O=C(Nc1scnc1-c1ccc(F)cc1)c1ccccc1F 69813057 ZTHSEBHCEJSKKO-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB FC(F)(F)C(F)(F)COc1ccccc1Br 72265779 SEZDSMVBFMKFIW-UHFFFAOYSA-N 305.040 4.026 0 40 DIAB CC(=O)c1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 95986257 ILCJVIDXEZOVOL-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB Cc1cc(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)no1 96484846 RCAWNUIYPBDRAG-NSHDSACASA-N 322.434 4.096 0 40 DIAB COc1cc(C)c([C@H](C)Nc2ccncc2Cl)cc1OC 97012356 QCZFXRZRNBJDCP-NSHDSACASA-N 306.793 4.234 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCCCC1 216144028 KUIJJCWGQUWXGF-IBGZPJMESA-N 311.425 4.400 0 40 DIAB CCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 224405138 NCHCZKJNCATMJW-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 224907490 DWNWMUIGHNQHHE-UHFFFAOYSA-N 321.417 4.164 0 40 DIAB Cc1cccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225093202 PWGVRXFQBSSATQ-OAHLLOKOSA-N 324.298 4.089 0 40 DIAB CCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCC1 225707871 JSAXKKHMEAGFGY-UHFFFAOYSA-N 319.445 4.378 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1Cl 225769212 WXHMRMUPTJYORN-CYBMUJFWSA-N 317.816 4.456 0 40 DIAB COc1ccc(SCC(=O)Nc2ccccc2Cl)cc1 1400548 RVTNIIXEZGCJIR-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB CC(C)(C)C(=O)COC(=O)CSc1ccc2ccccc2c1 3217336 RLNPAJWFOANQQN-UHFFFAOYSA-N 316.422 4.090 0 40 DIAB CCN(CC)c1ccc(C(=O)NCc2ccccc2Cl)cc1 3342417 RJSKDVJROYZYCS-UHFFFAOYSA-N 316.832 4.116 0 40 DIAB Cc1ccccc1Nc1ncccc1C(=O)NC1CCCCC1 4217630 HKIXODPYWGWZJT-UHFFFAOYSA-N 309.413 4.196 0 40 DIAB CC[C@H](C)OC(=O)CCCCCCCC(=O)O[C@@H](C)CC 4727112 NWUGLCZYPSNPCE-GJZGRUSLSA-N 300.439 4.401 0 40 DIAB Cc1ccc2c(c1)cc(C(=O)N[C@H](C)CCc1ccccc1)n2C 4749258 RUYWGUAYWFCFGD-MRXNPFEDSA-N 320.436 4.238 0 40 DIAB CC(C)CCOc1ccc(Cn2c(=O)oc3ccccc32)cc1 5014048 ROORSYXBDFXRNU-UHFFFAOYSA-N 311.381 4.068 0 40 DIAB CSc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 5222725 MHJVOJGDSPERQZ-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 5413529 HIYXLUBTGPAATI-UHFFFAOYSA-N 314.694 4.315 0 40 DIAB COc1ccc(SCC(=O)Nc2c(C)cc(C)cc2C)cc1 7790035 XBFWCJIOHUPAJI-UHFFFAOYSA-N 315.438 4.351 0 40 DIAB CN1C(=O)Cc2cc(-c3csc(-c4ccc(F)cc4)n3)ccc21 8296981 YQUZFMVDVBVZQI-UHFFFAOYSA-N 324.380 4.135 0 40 DIAB Cc1cccc(C(=O)NCCCn2ccc3ccccc32)c1C 12565286 WXYHHEVWBGGSIJ-UHFFFAOYSA-N 306.409 4.078 0 40 DIAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccccc1 12599179 SZPZAEMMLAMRGF-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12795810 AQPKLKNXTSCRQQ-AWEZNQCLSA-N 320.396 4.033 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)Nc1cccc2ncccc12 12876949 UNWRNEONTKIDDB-PKNBQFBNSA-N 318.376 4.204 0 40 DIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)c(C)c1 18068000 XCOQQFFYYHFUCQ-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1F 18114408 XZEMAHAKHPJCKB-UHFFFAOYSA-N 313.250 4.105 0 40 DIAB COc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 21933984 XDNMGGOLFNOQFL-AWEZNQCLSA-N 309.409 4.065 0 40 DIAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1 22053670 OCRUMNBSZDKZEW-UHFFFAOYSA-N 319.364 4.086 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1 30868081 PGTSQSKDPHHHKB-GFCCVEGCSA-N 318.214 4.249 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCCc1ccccc1 36391026 NFAQYHYYLCPEBQ-MRXNPFEDSA-N 311.425 4.204 0 40 DIAB Cc1ccc2oc(Cc3ccc(Br)cc3)nc2c1 39085851 NVIUDDDCEZSOHV-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F 40144946 CBVKSPBZYIRILM-SNVBAGLBSA-N 316.763 4.451 0 40 DIAB Cc1cc([C@H](C)NC(=S)NCc2cccs2)c(C)s1 46103232 BCMBTILIHSVWMA-JTQLQIEISA-N 310.513 4.152 0 40 DIAB CN(CC1CC1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 47903913 DMXSMRQQAGNKMK-UHFFFAOYSA-N 318.420 4.172 0 40 DIAB COc1cc(CN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 48260482 VBJLJOVEFPWEFT-POZUXBRTSA-N 303.446 4.008 0 40 DIAB Cc1cccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)c1 49587077 YHJNHJSRTPBOLU-UHFFFAOYSA-N 314.392 4.093 0 40 DIAB CSc1nnc(CN(CC2CC2)[C@H](C)c2ccccc2)s1 60339122 YSOXRWRWNUOWAW-GFCCVEGCSA-N 319.499 4.233 0 40 DIAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(OC)c1 69442752 QMCQBBXAQKCREE-KRWDZBQOSA-N 313.401 4.095 0 40 DIAB CSC(=S)n1c(=Nc2ccccc2)sc2ccccc21 70450803 QADBXBOUARKICU-UHFFFAOYSA-N 316.476 4.431 0 40 DIAB C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 72285831 ISFNZCCWGACJCG-GOEBONIOSA-N 314.454 4.076 0 40 DIAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccn1 72346615 MKNOIXQDWTUTRO-KRWDZBQOSA-N 322.408 4.038 0 40 DIAB Nc1ccc(-c2nc3ccccc3n2-c2ccc(F)cc2)cc1 73739998 VAJYGDPMCTXRPH-UHFFFAOYSA-N 303.340 4.414 0 40 DIAB Cc1nc(CC(C)C)c(NC(=O)NCCc2ccccc2)s1 79109795 YXBDSJWOABDGEB-UHFFFAOYSA-N 317.458 4.014 0 40 DIAB C[C@@H](SC1CCOCC1)c1cccc(Br)c1 97229757 BIHHPEMUVJYDRH-SNVBAGLBSA-N 301.249 4.422 0 40 DIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)cc1 225733265 XTQGLOLKCHDNJH-GOSISDBHSA-N 307.434 4.255 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccccc1C 225756379 VCHUFTIHZBYSGE-KRWDZBQOSA-N 314.454 4.441 0 40 DIAB O=C(c1cc(Br)ccc1F)C(Cl)(Cl)Cl 306963053 LDSWZDWUBZGMSM-UHFFFAOYSA-N 320.372 4.141 0 40 DIAB O=C(Sc1nc2cc3ccccc3cc2[nH]1)c1ccccc1O 409393044 UTHYEWSKTKKSII-UHFFFAOYSA-N 320.373 4.354 0 40 DIAB C[C@@H](CCc1n[nH]c2ccccc12)N[C@@H]1CCCc2occc21 541154233 IBSRACKSWQIVQD-XJKSGUPXSA-N 309.413 4.144 0 40 DIAB O=C([C@@H]1CC1(c1ccccc1)c1ccccc1)N1CCCCC1 974894 KEJDRIIGRYBQFO-IBGZPJMESA-N 305.421 4.005 0 40 DIAB C/C=C/C(=O)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 1709008 COBVHQPLRWXCAW-DBKQCEECSA-N 302.377 4.374 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(Cl)c1 3297465 YRPMUMNNFRTWEP-UHFFFAOYSA-N 307.802 4.312 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 3462618 NWKIBMIZZBPCDS-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3608660 ISBDFSSFVHWEOE-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB O=C(Nc1ncnc2sccc12)c1ccc(Cl)cc1Cl 5299398 GGSJWIUEGAKKRL-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB CSc1ccc(-c2nc(O)c3c(n2)Oc2ccccc2C3)cc1 6733037 FQBNTEJOUTZBBT-UHFFFAOYSA-N 322.389 4.268 0 40 DIAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccccc1 6936741 LVEGWQOWBCRPAL-CYBMUJFWSA-N 300.427 4.133 0 40 DIAB COc1ccc(C)cc1CSc1ccc(NC(C)=O)cc1 7835078 WTAIIHYZWWKUKI-UHFFFAOYSA-N 301.411 4.254 0 40 DIAB COc1ccccc1CNC(=O)c1ccccc1SC(C)C 8041111 YSXMNGCMCRSPLU-UHFFFAOYSA-N 315.438 4.126 0 40 DIAB COC(=O)c1c(C)[nH]c(-c2csc(-c3ccsc3)n2)c1C 8102677 KUXARLAVYRHEEW-UHFFFAOYSA-N 318.423 4.270 0 40 DIAB Cc1c(Cl)cccc1NC(=S)Nc1ccc2c(c1)OCO2 8150687 ADQKYWHSMLFKEE-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB C[C@H](Sc1nc2ccccc2s1)C(=O)NC1CCCCC1 8488546 OCZZIJTUECYLEM-NSHDSACASA-N 320.483 4.226 0 40 DIAB Cc1ccc([C@@H](NC(=O)COc2ccc(C)c(C)c2)C2CC2)cc1 11234292 JMLDXMCQGKKUDC-OAQYLSRUSA-N 323.436 4.258 0 40 DIAB Cc1ccc2nc(NC(=O)C3(c4ccccc4)CC3)sc2c1 12792882 DMCHRLQELHRBMH-UHFFFAOYSA-N 308.406 4.275 0 40 DIAB CCCOc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 12920467 PKNXSIVLRXFYSB-BXUZGUMPSA-N 316.426 4.193 0 40 DIAB O=C(CCC(=O)c1ccc(F)cc1)NC1CCCCCCC1 13019987 PJQJVBPLZUVBQP-UHFFFAOYSA-N 305.393 4.018 0 40 DIAB Cc1noc(C)c1NC(=S)Nc1cc(Cl)cc(Cl)c1 13640900 QBNLLJANIRSERR-UHFFFAOYSA-N 316.213 4.407 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2)cc1C 13930831 DXEGNMDZNGGUQF-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB c1csc(-c2cc(CSc3ncc4ccccn34)no2)c1 14083075 XSWUOPBUIYQZFX-UHFFFAOYSA-N 313.407 4.343 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1F 14287959 NYUDSDQUAWIXLA-LBPRGKRZSA-N 305.780 4.230 0 40 DIAB CCC(CC)C(=O)N1CCC(c2nc3ccccc3s2)CC1 15833203 AWVCSIYIUNUJOV-UHFFFAOYSA-N 316.470 4.439 0 40 DIAB CC(=O)c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 15933796 DHDNTIMMWTZQRA-SFHVURJKSA-N 308.381 4.088 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C 16468834 DZGXTFBGNSHRAT-UONOGXRCSA-N 309.356 4.465 0 40 DIAB COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2NCc2ccncc2C)cc1 19239540 UROATCKCVJSPEU-XRXFAXGQSA-N 322.452 4.071 0 40 DIAB Nc1cccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 19771936 BFFIBQLTVJKDDR-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)cc1 20459874 SBHKTVFGYALXJG-INIZCTEOSA-N 301.361 4.239 0 40 DIAB Nc1cccc(-c2nc(-c3cc(Cl)ccc3Cl)no2)c1 34797675 PHCGCSYQZSWOBH-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CC[C@H](NC(=O)Cc1cccc2cccnc12)c1ccc(C)cc1 40034502 VKERTMYWHIEGOF-IBGZPJMESA-N 318.420 4.353 0 40 DIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 58218136 STEADCDEEZWMPR-PKOBYXMFSA-N 324.424 4.016 0 40 DIAB CCCCN1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216126 QHQSVDNWQVMUKM-GOSISDBHSA-N 301.478 4.399 0 40 DIAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2C)c1 85430322 ZWXYPZZKZRLXHA-KRWDZBQOSA-N 320.392 4.137 0 40 DIAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccccc1 216828379 UQKMFNIZRZVWCO-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CCOc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 222804018 SPSQYAZSPGLWFX-UHFFFAOYSA-N 305.377 4.169 0 40 DIAB CC(C)Oc1ccccc1C(=O)NC(C)(C)Cc1ccccc1 223681012 GDIGUQRVYGKTPI-UHFFFAOYSA-N 311.425 4.225 0 40 DIAB CC1(C)CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 224991095 FRPBZSZRUSKIOP-UHFFFAOYSA-N 309.837 4.146 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(OCC)c(C)c1)C1CC1 225673965 QTAPHXXEQUWJQE-LJQANCHMSA-N 319.445 4.236 0 40 DIAB NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCO3)cc1 575410985 WLAWACJGWRQAIR-UHFFFAOYSA-N 324.811 4.339 0 40 DIAB Nc1cc(C(=O)Nc2ccc3ccccc3c2O)ccc1Cl 235373 DYPHUKKIZFUWMI-UHFFFAOYSA-N 312.756 4.033 0 40 DIAB CCCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OCC)no1 498674 LIUDBEPDZYQETH-UHFFFAOYSA-N 323.396 4.458 0 40 DIAB Brc1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 1647804 UWWPRKNNHZUKAR-UHFFFAOYSA-N 315.166 4.188 0 40 DIAB O=C(Nc1nccs1)Nc1cc(C(F)(F)F)ccc1Cl 1752610 IWKZPPOXHWBLDN-UHFFFAOYSA-N 321.711 4.459 0 40 DIAB CN(C)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl 1842799 LQJVQFNJMIRAOK-UHFFFAOYSA-N 302.972 4.361 0 40 DIAB Cc1cc(C(F)(F)F)nn1C(=O)c1ccc(Cl)c(Cl)c1 2763943 LCWILPJMUINJLK-UHFFFAOYSA-N 323.101 4.206 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1ccc(OC(F)(F)F)cc1 4051273 FJIYKLPGIXVSJX-LCYFTJDESA-N 305.255 4.078 0 40 DIAB Cc1ccc(C)c(NC(=O)COc2cccc3ccc(C)nc23)c1 5468633 LNWVACJKPFMTRP-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(C)C 5980266 PYHWTQOJHCPHHG-UHFFFAOYSA-N 321.486 4.282 0 40 DIAB CC(=O)c1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1 7780020 XGHZYELESTZGJQ-UHFFFAOYSA-N 308.255 4.127 0 40 DIAB Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)O[C@@H](C)C3)cc1 8684983 AEQTYHLWMVTNJH-ORAYPTAESA-N 320.392 4.163 0 40 DIAB CC(=O)Nc1ccc(SCCOc2cccc(Cl)c2)cc1 9466232 FPEHIXBGBSVSCB-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C 11636942 CFDKCVMFGXMUCO-GOSISDBHSA-N 313.397 4.108 0 40 DIAB O=C(Nc1ccccc1Cl)c1cc2ccccc2c(=O)s1 12274416 CJTPUUFBGRYMIP-UHFFFAOYSA-N 315.781 4.167 0 40 DIAB Cc1ccccc1-c1noc(CN2c3ccccc3CC[C@@H]2C)n1 12563219 ZIWGJJMLFUPFEE-HNNXBMFYSA-N 319.408 4.386 0 40 DIAB CC(C)(Oc1cc(Cl)ccc1Cl)C(=O)N1CCCCC1 13331847 SQTJBPQQSBFZIV-UHFFFAOYSA-N 316.228 4.163 0 40 DIAB CCCCc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 14255775 MAYIVNYCTTXMCF-UHFFFAOYSA-N 317.454 4.447 0 40 DIAB Clc1cccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 17208654 IKCLCMAJERYEHU-UHFFFAOYSA-N 309.820 4.091 0 40 DIAB Cc1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 18177699 DIRNXXARYWYQNV-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB O=C(NC1CCCCCCC1)c1cc(-c2cccs2)on1 21334996 UBTLBPXULTWISX-UHFFFAOYSA-N 304.415 4.246 0 40 DIAB CC(C)c1ccc(CN(C(=O)Nc2cccnc2)C2CC2)cc1 24535398 ZZAMTVDMTOBPMJ-UHFFFAOYSA-N 309.413 4.402 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1=CCCCC1 30873393 CUCDBKIBQQCQGT-LJQANCHMSA-N 315.457 4.468 0 40 DIAB CC(=O)Nc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1C 48354292 SZYKYXXLBBXJGH-UHFFFAOYSA-N 317.776 4.251 0 40 DIAB C[C@H](Cc1ccsc1)NC(=O)N(C)[C@H](C)c1cccs1 48858730 IHAIJKMJQWEICU-VXGBXAGGSA-N 308.472 4.143 0 40 DIAB Cc1nnc([C@@H](C)N(C)Cc2ccccc2-c2ccccc2)o1 58341469 WFVZAGZOJVDLOA-CQSZACIVSA-N 307.397 4.238 0 40 DIAB c1ccc(-c2c[nH]c(Sc3cnc4ccccc4n3)n2)cc1 59420402 UQWIDDJGCIWOCL-UHFFFAOYSA-N 304.378 4.171 0 40 DIAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccccc1Cl 69813825 HDOXCFWPPDUAMI-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NCC1CCCCCCC1 71820048 HQBDOFDXXNVQMI-UHFFFAOYSA-N 319.493 4.345 0 40 DIAB CCNC(=S)N[C@H](c1ccccc1)c1cc2ccccc2o1 84791107 QYEVUBMKRXJBIV-QGZVFWFLSA-N 310.422 4.006 0 40 DIAB C[C@H](N[C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 95951411 AARQIPNIUYKDTQ-NYVOZVTQSA-N 319.448 4.063 0 40 DIAB COC1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 95975037 SFEQGQWRQUKZNP-UZROPOIGSA-N 307.478 4.009 0 40 DIAB CS[C@@H]1CCC[C@H](NCc2ccc(-c3cccnc3)o2)C1 97002168 ADFHLPFLLVWNQB-GOEBONIOSA-N 302.443 4.105 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 216889373 DXBDYYIFXPDYCV-SOFGYWHQSA-N 320.747 4.244 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 219736617 KCRJCMCFJRHCPT-MRXNPFEDSA-N 311.425 4.225 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1 225729343 XMCBVBCJENOGIU-GOSISDBHSA-N 307.434 4.255 0 40 DIAB CCCCCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225987181 RBQPXIHJJRAKJU-UHFFFAOYSA-N 307.825 4.191 0 40 DIAB COc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(C)C 260802927 RLDONGTYUJVAEQ-GRDNDAEWSA-N 301.430 4.045 0 40 DIAB Oc1cccc(CN(Cc2cccc(O)c2Cl)CC2CC2)c1 507907847 IBHHRDLSGYPSCU-UHFFFAOYSA-N 317.816 4.163 0 40 DIAB C[C@]12C[C@H](NC(=O)N1c1cccc(Cl)c1)c1ccccc1O2 422925 JFOXHAYEZIEUTA-YOEHRIQHSA-N 314.772 4.110 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 579660 JWERISHHGPDGRL-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CC1(C)COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1 1009609 NDPHTBMZCFBLNR-UHFFFAOYSA-N 305.421 4.126 0 40 DIAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccccc1 2795152 OGEPLMZYNGVTLY-UHFFFAOYSA-N 322.886 4.419 0 40 DIAB O=S(=O)(Nc1ccccc1)c1ccc(-c2ccccc2)cc1 3152802 MVOSRXKMYZOQDM-UHFFFAOYSA-N 309.390 4.154 0 40 DIAB COc1ccc(OC)c(NC(=S)Nc2cc(C)ccc2C)c1 3255082 RJDABMWSIFSZEX-UHFFFAOYSA-N 316.426 4.130 0 40 DIAB Cc1cc2occ(CC(=O)NCc3ccco3)c2cc1C(C)C 3524058 XLGLCAQLEQPSNY-UHFFFAOYSA-N 311.381 4.317 0 40 DIAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 4275567 FITDEXMDUPKSTR-MRXNPFEDSA-N 320.348 4.173 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(C)s1 5054390 IJDHBPYENSCLDJ-SNVBAGLBSA-N 321.471 4.091 0 40 DIAB CCc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5119420 FKNJAGLGLSKVDS-NSHDSACASA-N 320.795 4.481 0 40 DIAB CSc1ccccc1NC(=O)COc1c(C)cccc1C 6302675 XAOIMZDEFANIJO-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB COc1cccc(CNC(C)(C)C)c1OCc1ccc(F)cc1 6882590 DZAFIXJDDXEVRH-UHFFFAOYSA-N 317.404 4.301 0 40 DIAB CC(C)Oc1ccccc1C(=O)NCc1ccccc1Cl 9259624 OPKHPMZTAWWYEV-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB COc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C 9338978 JPOWVROGTNIJEP-UHFFFAOYSA-N 320.392 4.041 0 40 DIAB Oc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 12578875 BFOGBIPNIZJOBV-IBGZPJMESA-N 313.360 4.381 0 40 DIAB Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1Cl 15085310 DLVGLKDGWLONTC-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB Cc1nc2nc3ccccc3n2c(O)c1Cc1ccccc1Cl 18240774 HCJQXYVAAHPBPQ-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB CC[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 21392699 YEHDTEZPMOEVOP-RDTXWAMCSA-N 311.450 4.013 0 40 DIAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 22526832 GRVJXNJOQXVZSD-KRWDZBQOSA-N 322.452 4.479 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)nc2ccccc12 23078810 NDYPMLHZFXPOSI-BXUZGUMPSA-N 302.805 4.197 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(F)c1 25052470 RCHAFELNGVEGOE-LLVKDONJSA-N 307.752 4.194 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc(-n2cccc2)cc1 28303832 VJCDCVIXVHJKJZ-QGZVFWFLSA-N 318.420 4.287 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 30757975 XMYSRLRDWKTKON-APWZRJJASA-N 323.436 4.265 0 40 DIAB COc1ccccc1CN1CC[C@H](c2nc3cc(C)ccc3o2)C1 35446498 SLIQPCSSDRAHRW-INIZCTEOSA-N 322.408 4.134 0 40 DIAB biogenic,in-vitro O=C(O)[C@H](Cc1ccccc1Cl)Oc1ccc(Cl)cc1 40423767 AZFQYEHZWAXCFY-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB O=Cc1nc2ccccc2n1CCOc1cccc2ccccc12 41058287 KJHYYVVHRSODJR-UHFFFAOYSA-N 316.360 4.081 0 40 DIAB [O-][n+]1ccccc1SCCCSc1ccccc1Cl 57743124 SHEOBZAUNGJARS-UHFFFAOYSA-N 311.859 4.248 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1CCCc1ccccc1 59484450 LCQBIONMYOBFOW-UHFFFAOYSA-N 315.372 4.069 0 40 DIAB CC(C)CN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212022 IIFRNFPXBLFDHX-LJQANCHMSA-N 310.441 4.454 0 40 DIAB Cc1ccc2oc(S[C@H](C)c3nc(C4CC4)no3)nc2c1 72626409 VHUAZORSWGHSFG-SECBINFHSA-N 301.371 4.250 0 40 DIAB Cc1nc2ccc(NCc3csc(-c4ccccn4)n3)cc2o1 89729886 DTUUVAIMOJWPHF-UHFFFAOYSA-N 322.393 4.267 0 40 DIAB Cc1ccc([C@H]2CCCN2Cc2ccc([S@](C)=O)cc2)s1 93102806 QKTCBUHODUGECC-IIBYNOLFSA-N 319.495 4.131 0 40 DIAB CC(C)CSCCOC(=O)/C=C/c1nc2ccccc2s1 95442345 OUUIEXMEAIHCER-BQYQJAHWSA-N 321.467 4.242 0 40 DIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1cccc2[nH]ccc12 95472909 PUSOUGPXLIJLDP-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB CSc1ccc(-c2ccnc3nc(-c4cccs4)nn23)cc1 95473522 UYBCICDDZQINLU-UHFFFAOYSA-N 324.434 4.242 0 40 DIAB O=C(N1CCCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970403 NDULMDKMWCMYJL-FBIZOPLVSA-N 309.453 4.147 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)[C@H]1C[C@@H]2CC[C@@H]1C2 102378159 PYPUEKBHSVPLLO-PRULPYPASA-N 310.800 4.425 0 40 DIAB O=C(NCc1ccc(F)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102816086 KMLMNRMJROFQLD-JDPPGYRCSA-N 321.823 4.020 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@@H]1C[C@H]3CC[C@H]1C3)OCO2 103521219 WJRFPNFAKYJALO-YDHLFZDLSA-N 315.413 4.133 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccnc1)Cc1ccco1 106556882 GQESIZNNWUABDI-SZMVWBNQSA-N 324.424 4.030 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NCCSC(C)(C)C)cc1 113969394 WDWPVIRPYZCIEK-INIZCTEOSA-N 323.502 4.054 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(C)c(O)c(Br)c1 216739018 BURNLTAVIZMHAP-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB Cc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)C)cc1 223748893 VTXZQEKLUJASMQ-OUKQBFOZSA-N 323.436 4.327 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225019973 KOQRUECZYRMYML-GOSISDBHSA-N 312.409 4.367 0 40 DIAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225133150 PMLNUTZOSBRCRO-IBGZPJMESA-N 323.436 4.212 0 40 DIAB CC(C)Oc1cccc(NC(=S)NC2(C3CC3)CCCC2)c1 225867854 DZTVRZWDZBXUIJ-UHFFFAOYSA-N 318.486 4.483 0 40 DIAB CCOC(=O)c1nc2c(Cl)cccc2c(Cl)c1Cl 685936846 ASZXQXILLRNBNB-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB O=C(Nc1cccc2ncccc12)Nc1cccc2ncccc12 1565524350 GIYCHQXHZKEXNV-UHFFFAOYSA-N 314.348 4.427 0 40 DIAB CCOc1cc2c(cc1OCC)[C@H]([C@H]1CC=CCC1)NCC2 32786 NQOAKPOUJMMSCV-LIRRHRJNSA-N 301.430 4.027 0 40 DIAB Cc1cc(Cl)ccc1OC(=O)COc1cccc(Cl)c1 122572 UOYIDYVJFFJHKS-UHFFFAOYSA-N 311.164 4.286 0 40 DIAB CC(C)n1cccc([C@@H](O)CC(=O)c2ccccc2)c1=S 344340 AEFJYYQUZYTKLN-INIZCTEOSA-N 301.411 4.105 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccncc1 506051 UNUXOBIFMIGIQT-FQEVSTJZSA-N 314.392 4.468 0 40 DIAB CC[C@@H](c1ccc(OC)cc1)[C@](O)(CC)c1ccc(OC)cc1 1640781 SVTHZCYFDSJXPQ-PMACEKPBSA-N 314.425 4.495 0 40 DIAB CCCCCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O 2227502 JMTXHWCMBVTKGG-UHFFFAOYSA-N 316.397 4.192 0 40 DIAB CCOc1cc(C(=O)Nc2cccc(C)c2)ccc1OC(F)F 2797019 JJFJFBXEHILHTJ-UHFFFAOYSA-N 321.323 4.247 0 40 DIAB c1ccc(CSc2ccc3nnc(-c4ccccc4)n3n2)cc1 4164212 XZUBQBSZTWSKSB-UHFFFAOYSA-N 318.405 4.084 0 40 DIAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccccc1 4854217 CUBXXJLIPWVUHH-KRWDZBQOSA-N 323.421 4.187 0 40 DIAB c1ccc(CSc2nnc3ccc(-c4ccccc4)nn23)cc1 5167170 ZFAJNDCPHWVOCT-UHFFFAOYSA-N 318.405 4.084 0 40 DIAB Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)[nH]c2c1 5687257 FBQXKYRNWYHPLX-UHFFFAOYSA-N 316.813 4.500 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 5862318 PVCGVWGFQCKZAK-VXGBXAGGSA-N 321.779 4.124 0 40 DIAB Cc1ccccc1OCc1nnc(SCc2ccccc2)o1 9198428 OCYIVISLFLNUJS-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB Fc1cccc(-c2nn3c(C4CCCCC4)nnc3s2)c1 11279056 RHAITBGOAXUFAZ-UHFFFAOYSA-N 302.378 4.040 0 40 DIAB CCc1ccc(-c2cc(C(=O)O)nn2-c2cccc(C)c2)cc1 11801620 HPDHXMKLBVAFRI-UHFFFAOYSA-N 306.365 4.108 0 40 DIAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12614288 KFWUNLVXSOTDHD-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB COCc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 14137401 BQBMZGCDKQFABP-UHFFFAOYSA-N 310.180 4.392 0 40 DIAB O=C(/C=C/c1ccccc1)O[C@@H](c1ccccc1)c1ccccn1 42622217 JPAQXNGFINDQDM-JLVIMGNISA-N 315.372 4.428 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C 44883480 KBUBSSXASWZVOD-LJQANCHMSA-N 311.425 4.086 0 40 DIAB CCCN1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 58418380 HQDFYUAWQCEFAV-FQEVSTJZSA-N 320.436 4.071 0 40 DIAB Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c(N)c1 70462900 BJOUECPNWMQWKM-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB CC(C)CCS(=O)(=O)Oc1ccccc1-c1ccccc1 72097430 BJGBMNZDYRVNDF-UHFFFAOYSA-N 304.411 4.108 0 40 DIAB Cc1nc(N2CCc3ccccc32)ccc1[C@H](N)c1ccccc1 72224995 AUTVIUNJGAWBDN-OAQYLSRUSA-N 315.420 4.132 0 40 DIAB COc1ccccc1Oc1ccc(C(=O)NC2CCCCC2)o1 72265310 VCTHOAJVQOFAEZ-UHFFFAOYSA-N 315.369 4.143 0 40 DIAB O=C([C@@H]1CC=CCC1)N(Cc1ccsc1)Cc1ccco1 75170176 NLXXMDAVKRWAGQ-OAHLLOKOSA-N 301.411 4.226 0 40 DIAB c1ccc2c(c1)oc1c(N[C@@H](c3nccs3)C3CC3)ncnc12 76061028 MQNWISURXKHQJJ-CYBMUJFWSA-N 322.393 4.396 0 40 DIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 95393204 LHLGUKVJIPLZOY-SJORKVTESA-N 306.365 4.187 0 40 DIAB Cc1ccc(C(=O)CC(=O)c2ccc3ccccc3c2O)cc1 100811524 OFLYODVLPDSQIN-UHFFFAOYSA-N 304.345 4.310 0 40 DIAB CCc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100983264 LIPYBAIAMSKLLD-GOSISDBHSA-N 320.371 4.036 0 40 DIAB CCOc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 219954237 BHSKRLJOHGMWBQ-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)cc1C 225071720 IDHHSJPEJYZVAT-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCCO[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140479 HFCJWCLADSNKKE-SFHVURJKSA-N 314.381 4.291 0 40 DIAB Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)s1 585149260 BJGKNEFSXLRHHZ-OAHLLOKOSA-N 321.467 4.016 0 40 DIAB Cc1ccc2n1CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]2C 1425246 HZTFVHICSJJCMC-NSHDSACASA-N 323.223 4.320 0 40 DIAB CSc1cccc(NC(=O)COc2cccc(C)c2C)c1 3608580 RYESIGGZDSDJTM-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 4113343 OOYHPPVVTBTTKJ-NWANDNLSSA-N 312.438 4.493 0 40 DIAB O=C(Nc1ccccc1F)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4189805 GGUBAOBARFCCSV-ZIAGYGMSSA-N 324.182 4.352 0 40 DIAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 4889005 BVGGWCRUBXXKQZ-SFHVURJKSA-N 316.360 4.271 0 40 DIAB Cc1cccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)c1 5571236 MJPDZKQCJSTFKG-UHFFFAOYSA-N 324.405 4.489 0 40 DIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccncc2)N3)C1 6247071 JOLZASFSZCJYLS-MEBBXXQBSA-N 313.426 4.087 0 40 DIAB Cc1cc(-c2cc(C(=O)O)c3cnn(C(C)C)c3n2)c(C)s1 9256651 MNCMXNMCWCOWST-UHFFFAOYSA-N 315.398 4.056 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1csc2c1CCCC2 12817991 YBBINTWFYPONDW-UHFFFAOYSA-N 315.482 4.326 0 40 DIAB Cc1ccccc1CCNC(=O)c1csc(-c2ccccc2)n1 12855565 NVOAZFIHAZZEPL-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C)c2)cc1 13000378 WUEWYMVLEWNNOW-IBGZPJMESA-N 309.409 4.289 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 13391055 YULKJOUJAKKKJY-UHFFFAOYSA-N 311.381 4.243 0 40 DIAB O=C(NCCc1cccs1)c1cc(Cl)sc1Cl 14136809 SBTOREHKEASGPV-UHFFFAOYSA-N 306.239 4.089 0 40 DIAB CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc(O)cc3O[C@@H]21 15115178 CYXCYFYWIZXENQ-JXFKEZNVSA-N 324.376 4.216 0 40 DIAB biogenic,in-vivo COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(F)cc1 15649017 HZMOYOKNIYMXFO-ZDUSSCGKSA-N 323.367 4.479 0 40 DIAB Cc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 19774006 VBVOYGHHNXSTGY-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB CCCS[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 20145973 XWTULHYPJDKGEU-SFHVURJKSA-N 301.455 4.369 0 40 DIAB Cc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 20483907 IZEJXDSFVUXDDH-UHFFFAOYSA-N 319.857 4.399 0 40 DIAB C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 21912626 YDZUQOLJRBIJPH-AWEZNQCLSA-N 310.372 4.048 0 40 DIAB Cc1ccc(C)c(-n2ccnc2S[C@@H]2CCCCC2=O)c1 26047448 XERUSRMXIQPFAC-MRXNPFEDSA-N 300.427 4.093 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 30860995 RSWJPDRFFVQHFD-HZPDHXFCSA-N 311.425 4.455 0 40 DIAB Cc1ccccc1CCNC(=O)N1CC=C(c2ccccc2)CC1 31035605 GLGMVIIBILHDDX-UHFFFAOYSA-N 320.436 4.036 0 40 DIAB CC[C@@H](NC(=O)C[C@@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 36752664 NLGGYOWEYQKNGW-MVJVIOSPSA-N 301.474 4.454 0 40 DIAB Cc1cc(C)c([C@@H](O)c2ccc(Br)cc2)c(C)c1 40243322 UPCDEXFOAQKHBK-INIZCTEOSA-N 305.215 4.456 0 40 DIAB Cc1cc(C)c(CNCc2ccc(CN3CCCC3)cc2)c(C)c1 61557015 QSDJJYQYBUGKRH-UHFFFAOYSA-N 322.496 4.497 0 40 DIAB COc1c(Cl)cc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C 72206567 MCRVEFLQFQNXQB-LBPRGKRZSA-N 309.837 4.487 0 40 DIAB C[C@H]1C[C@@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 75134636 GCGVPMCXKSWDRY-GWCFXTLKSA-N 318.336 4.063 0 40 DIAB CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1C 77182266 NHWMHGOHWRWDKP-NSHDSACASA-N 300.855 4.254 0 40 DIAB Cc1cc(N2CCCC[C@H]2CC(C)C)nc(-c2ccncc2)n1 79097918 LWMUUFMDCFTYTK-KRWDZBQOSA-N 310.445 4.252 0 40 DIAB CCCSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1 100185986 XYOCJWNFTVQVOD-MDZDMXLPSA-N 300.431 4.073 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C)c(C)c2)no1 106832848 VFZMRIQZNKUHAW-AOIWGVFYSA-N 324.424 4.067 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H](c1ccccc1)c1ccncc1 106900497 SQOFHEXURVHRHX-RMYQPGKMSA-N 320.436 4.114 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223218391 PUCVHKCGBSSHEJ-MRXNPFEDSA-N 317.429 4.039 0 40 DIAB COc1cccc2cc(C(=O)NC(C)(C)Cc3ccccc3)oc12 225245501 JFQHLKIGCKXTDX-UHFFFAOYSA-N 323.392 4.193 0 40 DIAB CCOc1ccc(C(=O)NCCCc2ccccc2)cc1Cl 225433465 JCSAJIGFEBUCNF-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3cccc4ccccc34)nc2c1 226236637 LOAXMGXPGMGWQY-UHFFFAOYSA-N 302.333 4.170 0 40 DIAB CCN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1 248381540 UEHRXZXZWAZIIW-UHFFFAOYSA-N 305.830 4.485 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 263595446 DOIUYMHEABAPBH-UDERSWLKSA-N 302.458 4.413 0 40 DIAB CC(=O)O[C@]1(c2ccccc2)CCN(C2CCCCC2)C[C@@H]1C 98414 YHAZEJUWPWABOU-OXJNMPFZSA-N 315.457 4.120 0 40 DIAB COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1 171427 UCPKKODIINQTSR-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB O=C(c1c(-c2ccccc2)oc2ccc(O)cc12)N1CCCCC1 407157 MSRDJMSCRXRCOT-UHFFFAOYSA-N 321.376 4.432 0 40 DIAB Fc1ccc(C2=CCN(C(=S)Nc3ccccc3)CC2)cc1 414862 CSQMDPCBMHWDQD-UHFFFAOYSA-N 312.413 4.312 0 40 DIAB COc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 585147 KRAUNUPKOMREAC-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(OC(C)C)cc1 2580397 JQAWSPIQJGJYHZ-UHFFFAOYSA-N 306.402 4.170 0 40 DIAB CC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl 3100482 VKXHPIKSXIBRCK-JTQLQIEISA-N 304.217 4.067 0 40 DIAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2cccs2)cc1C 3360015 STLQSUMTBDDBET-VOTSOKGWSA-N 314.406 4.113 0 40 DIAB CCCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4698854 YWCCYFAWIPPFCY-UHFFFAOYSA-N 324.424 4.048 0 40 DIAB Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2n1 6369924 FLQGICMXSMRQBD-UHFFFAOYSA-N 303.317 4.022 0 40 DIAB ClC1(Cl)C[C@@H]1Cn1c([C@H]2CCCO2)nc2ccccc21 7343613 KRFNGRLOKDYAEE-ZWNOBZJWSA-N 311.212 4.082 0 40 DIAB Cc1nc2ccc(NC(=O)c3cn(C)c4ccccc34)cc2s1 8138506 MNRAUUBPOBXEFG-UHFFFAOYSA-N 321.405 4.349 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 8493048 KYEXQFIKLBVAAX-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB C[C@H](NC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 10111711 LHMSCJXLVVXGSU-HNNXBMFYSA-N 311.425 4.240 0 40 DIAB Cc1ccc2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)c(C)c2c1 11915491 ICPHRIQNFDDMIZ-JTQLQIEISA-N 324.380 4.415 0 40 DIAB O=C1N[C@H](c2ccc(-c3ccccc3F)s2)Nc2ccccc21 12522206 DHWZPUPOQSDRPB-QGZVFWFLSA-N 324.380 4.408 0 40 DIAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(Cl)c1 12861545 CUSTYKMZFMNXNP-ZDUSSCGKSA-N 315.800 4.180 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 20105496 CQUWGLKJFCCKNX-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB OC1=Nc2n[nH]cc2[C@H](c2cccc(Oc3ccccc3)c2)C1 20734543 IDWJHGZDCDSBMV-HNNXBMFYSA-N 305.337 4.326 0 40 DIAB CCCOc1ccccc1NC(=O)CCn1ccc2ccccc21 22355732 UEIGVMOMRJVDQY-UHFFFAOYSA-N 322.408 4.459 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)n1 25935127 DJCUGPPJZFDDEA-UHFFFAOYSA-N 319.364 4.175 0 40 DIAB COc1cc2cc(C(=O)O)cc(-c3ccccc3)c2cc1OC 26467166 HGXPHANAXRNKGN-UHFFFAOYSA-N 308.333 4.222 0 40 DIAB CCc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29484288 TVBUDUAFDCWFPS-LJQANCHMSA-N 322.452 4.115 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccccc1 30751128 IOCHIGQUAXOIIB-INIZCTEOSA-N 311.425 4.236 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@@H](C)C[C@H]2[C@@H]1c1ccco1 36049206 XCUSOXGYBWDEPN-QNBRHKHMSA-N 324.380 4.262 0 40 DIAB CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccccn1 37858792 PJMVKAMOHBUHOU-FQEVSTJZSA-N 312.376 4.095 0 40 DIAB O=C(N1CC[C@@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 38567111 XVRLLUVFDUGJOP-WRUMOOJNSA-N 309.453 4.219 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1F 44899747 LVVZNRXQCNNCIB-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Cc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1C 48653321 LWYANQGYUMSIAN-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB Cc1noc(C)c1CN(Cc1ccccc1C(F)(F)F)C1CC1 52045941 HMIOMPGKWPZXJE-UHFFFAOYSA-N 324.346 4.475 0 40 DIAB CC(C)N(Cc1ccccn1)C(=O)C[C@@H](C)c1ccc(F)cc1 58393171 IOEAGKAYGMQXFG-OAHLLOKOSA-N 314.404 4.152 0 40 DIAB O=C(C=C1CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 65772598 YAGUWQKEHSXCFZ-UHFFFAOYSA-N 323.440 4.159 0 40 DIAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(Cl)cc1 80344784 INTIPNNKGRPRRV-INIZCTEOSA-N 317.816 4.236 0 40 DIAB CSc1ccc([C@@H](O)c2ccc(Br)cc2)cc1 89064962 YHJGPYVOQNNAEP-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB Cc1ccccc1NC(=O)Nc1cccc(Oc2ncccn2)c1 95396857 NXSHORKRHJWDFX-UHFFFAOYSA-N 320.352 4.221 0 40 DIAB Cc1ncsc1C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 95440395 AQPHMWGRANEASF-NSHDSACASA-N 323.487 4.173 0 40 DIAB CCc1cccc(C)c1NC(=O)N(C[C@@H](C)O)C1CCCCC1 95466990 NRURUMKSIANEQI-OAHLLOKOSA-N 318.461 4.105 0 40 DIAB O=C(N[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccccc1C(F)(F)F 103102841 MFSJUFSYVADZBZ-UQJZFXKTSA-N 323.358 4.260 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCSc2ccc(F)cc21 103439514 XPCSUQVVOFAZND-BCUIYNNISA-N 319.445 4.305 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1C 109767721 IJGLALMMFITFIU-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCC1=CCCCC1 222982415 UBSNMDJMOQKGJG-IBGZPJMESA-N 315.457 4.468 0 40 DIAB COc1cc(C)c([C@H](C)NC(=O)C2CCCC2)cc1C(C)C 223375684 YZXJFWMMULLLCV-AWEZNQCLSA-N 303.446 4.494 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1F)Oc1cccc2ccccc12 225052366 YDRSJPNEXGQZFP-GOSISDBHSA-N 310.324 4.054 0 40 DIAB CC(C)c1cc(C(=O)N[C@H](C)c2cccc(C3CC3)c2)cc(O)n1 1595431334 NNJXCNYPTHYMQV-CYBMUJFWSA-N 324.424 4.279 0 40 DIAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 34440 GQVMIPAWWCUWLD-UHFFFAOYSA-N 323.392 4.183 0 40 DIAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 3431007 HQOAKOWSANSVHP-JTQLQIEISA-N 309.743 4.038 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 3514918 SADWHNCNJWAGSV-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(F)cc2)c1 4666296 FIRUBHIRYWLRFU-UHFFFAOYSA-N 308.374 4.025 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1F 5442629 IRPPOMQJQGCTOI-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB COc1ccc(-c2nc(NC(=O)C3CCCC3)sc2C)cc1 6942502 YKGNCNCLIBVZBG-UHFFFAOYSA-N 316.426 4.256 0 40 DIAB O=C1c2ccccc2N[C@H](c2c(F)cccc2Cl)N1C1CC1 7886006 DRTMFIAPRHGEKY-INIZCTEOSA-N 316.763 4.208 0 40 DIAB CCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8227234 GKKMRJSYHCNMGW-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc2ccccc2n1 11201808 MYGZFIMOMZBMLT-IBGZPJMESA-N 302.377 4.116 0 40 DIAB Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914548 RIAGXSVMWCDCGB-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)C1(c2cccs2)CCCC1 12157676 BTKUEMJHRPUIIO-UHFFFAOYSA-N 307.365 4.477 0 40 DIAB O=C(Cc1ccc(F)cc1)NCC1(c2cccs2)CCCC1 13803127 WGIWTVUDXKURBZ-UHFFFAOYSA-N 317.429 4.058 0 40 DIAB O=C(Nc1cccc2ncccc12)c1cc(F)c(F)cc1Cl 14791898 FTFSBCSMEIQHDD-UHFFFAOYSA-N 318.710 4.419 0 40 DIAB Cc1ccc2cccc(OCc3cc(-c4ccco4)on3)c2n1 15554933 RQIHAVOGGNMWJQ-UHFFFAOYSA-N 306.321 4.370 0 40 DIAB Oc1cccc2c(NC(=S)NCc3ccccc3)cccc12 16187693 UNXARGQOCBAUDU-UHFFFAOYSA-N 308.406 4.032 0 40 DIAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(Cl)c1 17031466 NKTMGWPQYATAOO-SNVBAGLBSA-N 306.818 4.042 0 40 DIAB CSc1ncccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 17369135 MRZFEGCIDPETSB-NSHDSACASA-N 312.394 4.041 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1 20112301 YBSJQEJJQIODDH-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB CC[C@H](NC(=O)Cc1ccccc1C)c1ccc(Cl)cc1 22491725 PITJHHRIWXEFHM-KRWDZBQOSA-N 301.817 4.458 0 40 DIAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1 24601131 CGLSJSUMSKZTJO-NSHDSACASA-N 317.389 4.130 0 40 DIAB CCc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 24831638 GEYHIPWCSBVNIZ-UHFFFAOYSA-N 323.314 4.078 0 40 DIAB CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)no1 27925278 GWGNYCMIXMQQGD-UHFFFAOYSA-N 312.291 4.243 0 40 DIAB CCCCn1nc(C)c(C(=O)Nc2cc(C)ccc2F)c1Cl 28321001 SNHYSAMYTRCCQO-UHFFFAOYSA-N 323.799 4.345 0 40 DIAB O=C(NCc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 32806128 QIVJLIFXROYXIK-SFHVURJKSA-N 322.433 4.337 0 40 DIAB Cc1cc(C)n(CCNc2nc3c(C)c(Cl)ccc3s2)n1 34936080 OTOABGNKUXGXOT-UHFFFAOYSA-N 320.849 4.184 0 40 DIAB O=C(c1cccc2ccccc12)N1CC[C@@H](c2ccccc2)C1 38567055 XWKOHNRJFBMMFO-GOSISDBHSA-N 301.389 4.470 0 40 DIAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 43879350 XQKZBVGBIMPIMD-DGCLKSJQSA-N 314.303 4.169 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 48314081 ASXIXCMTCZKFRD-OTWHNJEPSA-N 315.457 4.054 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(C)cc(F)cc23)c1 64874764 KCEJWVMZOBCRPA-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB Clc1cc(-c2ccc(Br)s2)nc(Cl)n1 71666483 VRVPZDSYHQJNGD-UHFFFAOYSA-N 310.003 4.274 0 40 DIAB O=C(CN1CCCCCC1)N(Cc1ccccc1)c1ccccc1 71877736 XVAIKGZDZMMJLC-UHFFFAOYSA-N 322.452 4.096 0 40 DIAB CC(C)CN1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212960 XWJXGOHKTDZUNP-SFHVURJKSA-N 303.494 4.498 0 40 DIAB CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O 78703199 LNPRSLPLJGGYGI-UHFFFAOYSA-N 300.141 4.299 0 40 DIAB c1ccc(-n2ccc(NCc3ncc(-c4cccs4)o3)n2)cc1 80756858 RSCUVZIDJDXOHO-UHFFFAOYSA-N 322.393 4.201 0 40 DIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1cccc(Cl)c1Cl 95095899 AMEMVQAREBLVMN-LDWIPMOCSA-N 301.091 4.012 0 40 DIAB O=C(c1ccc(Br)cc1)c1cc(F)c(F)cc1F 95917406 OXHHCIFHESRGLK-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104255393 DPDZBTZANFYYID-AVGNSLFASA-N 307.821 4.422 0 40 DIAB CO[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl 121744064 WYIQHXUGXZNJQK-OAHLLOKOSA-N 324.207 4.111 0 40 DIAB CCc1nnc(CN[C@H](C)c2ccc(Cl)c3ccccc23)o1 185389902 XWPJOFZKZDDXTR-LLVKDONJSA-N 315.804 4.289 0 40 DIAB CCc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1 225567025 WKQUSYFDODANFZ-UHFFFAOYSA-N 309.453 4.319 0 40 DIAB CCSc1nc(CC)nc2sc3c(c12)CC(C)(C)OC3 523481 YRSXCYCILSDTJT-UHFFFAOYSA-N 308.472 4.217 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)cnc12 1568038 BQVDVWSLPFXJQB-ZDUSSCGKSA-N 320.868 4.206 0 40 DIAB Cc1ccc2c(CC(=O)N[C@H]3CCCc4ccccc43)coc2c1 2648021 DMDBLUSZKQTXAP-IBGZPJMESA-N 319.404 4.478 0 40 DIAB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 2655781 OCZGCMFPLUPIRT-UHFFFAOYSA-N 306.365 4.139 0 40 DIAB Cc1csc(N(C(=O)/C=C/c2ccco2)c2ccccc2)n1 3420934 MQIUGHSFFWLWJR-MDZDMXLPSA-N 310.378 4.423 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1 3608042 FIRLAKVMNZHJMY-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB CC(C)(C)c1csc(NC(=O)c2ccc3ncsc3c2)n1 4224273 HZLHBJUNIODJRP-UHFFFAOYSA-N 317.439 4.303 0 40 DIAB CC(=O)CSC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 5378001 CZFWCNPLZZLWED-IRXDYDNUSA-N 311.406 4.177 0 40 DIAB Cc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1 5540974 MWEIAAWFSNZHML-LDADJPATSA-N 305.377 4.463 0 40 DIAB CN(C(=O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1 5726757 IDTKJUINLSBRRN-UHFFFAOYSA-N 303.446 4.154 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1C 5969036 CHFJILYUTKEVBT-UHFFFAOYSA-N 308.425 4.152 0 40 DIAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccccc1Cl 6181589 TWWBSHWGJXCZDS-VQHVLOKHSA-N 318.756 4.025 0 40 DIAB Cc1cc(C)cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 6650174 VLADCIYTEHLDKY-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC1(C)C[C@](CCNc2nccs2)(c2ccccc2)CCO1 6759974 HKYNAGMNMRYSFO-GOSISDBHSA-N 316.470 4.472 0 40 DIAB Cc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1 6880720 XODJUZMDOOWCEV-UHFFFAOYSA-N 312.756 4.053 0 40 DIAB Cc1ccc(C)c(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 7595825 PCCZLTPVAKSWKA-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB COc1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 7844701 SGHBQFPMDXNOSX-UHFFFAOYSA-N 311.362 4.214 0 40 DIAB CCC(C)(C)c1nnc(NC(=O)CCCc2ccccc2)s1 9095473 VZXBVSXSAXZFHW-UHFFFAOYSA-N 317.458 4.187 0 40 DIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CCCO1 12976963 ATDQXTOVXYKJEE-INIZCTEOSA-N 317.772 4.250 0 40 DIAB CC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 13007168 IVYGVBHZYZPUOA-UHFFFAOYSA-N 305.333 4.000 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 13790037 MLHHNIUUHQZRGL-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 13931350 LTHNQSQVUZCKQX-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)c1ccc2ncsc2c1 14424440 KZLNOTGUTWCCFQ-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 15316432 KBHKXARFRTWEJS-NEPJUHHUSA-N 321.779 4.124 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 19074417 AXNQFUDLFKKQRD-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C(Nc1cccc(F)c1)c1csc(Nc2ccccc2)n1 23136784 ZETZHNBDEPTICQ-UHFFFAOYSA-N 313.357 4.278 0 40 DIAB Cc1cccc(-n2c(CNc3ccccc3)n[nH]c2=S)c1C 26439347 DPJMEQUYQKZWLD-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 26501705 XYJFACOAPYGLJY-OLZOCXBDSA-N 303.402 4.184 0 40 DIAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 26638026 IDFSLXPEYHYCMC-AWEZNQCLSA-N 317.429 4.245 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 32978362 JBUAXNSJHJIDJZ-CQSZACIVSA-N 306.365 4.141 0 40 DIAB Cc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1 36302281 DNIMTASAQSYGSI-UHFFFAOYSA-N 300.226 4.230 0 40 DIAB CC[C@H](NC(=O)C[C@@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 36752662 NLGGYOWEYQKNGW-MOAASNJQSA-N 301.474 4.454 0 40 DIAB CC1(C)COC(CCCCC(=O)c2cccc(Cl)c2)OC1 43214492 SNQLUKJROMAYSC-UHFFFAOYSA-N 310.821 4.482 0 40 DIAB C[C@@H]1Sc2ccc(Cl)cc2C(Cl)=C1/C=C/C(=O)O 44201340 AWRWREWYZSGGBP-MZTFZBDOSA-N 301.194 4.425 0 40 DIAB CCOC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 58790922 VZHCTSUGWVCULS-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB COc1ccc(N[C@@H](C)c2nnc(C)o2)cc1Cc1ccccc1 71902394 SWPXIZOBEJDEAX-ZDUSSCGKSA-N 323.396 4.151 0 40 DIAB c1ccc(CN2CCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 72216032 XRFFUUNCGQGQEM-FQEVSTJZSA-N 321.468 4.409 0 40 DIAB FC(F)(F)c1ccnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 74158124 RETXJQZFRSZBLX-SFYZADRCSA-N 313.245 4.028 0 40 DIAB CCOc1ccccc1C[S@](=O)[C@H](C)c1ccc(F)cc1 78555961 NSBBLXIOZIRASZ-LRTDBIEQSA-N 306.402 4.234 0 40 DIAB CC(C)(C)CN(Cc1nccn1C(F)F)c1ccc(F)cc1 89643032 PLFITDNUHRKNFP-UHFFFAOYSA-N 311.351 4.470 0 40 DIAB Cc1nnc(-c2cccc(NCc3ccc(Cl)s3)c2)o1 95429199 MQYMNVTWBBPRAT-UHFFFAOYSA-N 305.790 4.372 0 40 DIAB Cc1cc(C(=O)OCCSC(C)(C)C)c2ccccc2n1 96004176 INDWEPIACCAZOZ-UHFFFAOYSA-N 303.427 4.232 0 40 DIAB Cc1ccc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cc1 102668738 XQPGTMFOQOCXKK-UHFFFAOYSA-N 315.376 4.386 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222601876 FKFLCGVWTCKPDT-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB CC(C)OC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 225423350 QTYKLYFWRCZFDC-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB CC[C@H](NC(=S)Nc1cc(C)ccn1)c1ccc(C)cc1C 225717341 AYDVUTZTCJHIBO-INIZCTEOSA-N 313.470 4.445 0 40 DIAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409416237 MTLZQRJNQHVSOY-YWEYNIOJSA-N 322.191 4.071 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 149690 DKZKKRXHJBBPAK-MDZDMXLPSA-N 321.298 4.366 0 40 DIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccnc1Cl 368211 BPFDFACUGZGXLC-UHFFFAOYSA-N 308.768 4.239 0 40 DIAB CCc1nc2sc3c(SC)ncnc3c2c2c1CCCC2 502641 ONSXXFHGRBFENW-UHFFFAOYSA-N 315.467 4.403 0 40 DIAB Cc1cccc(Nc2ncccc2C(=O)NC2CCCCC2)c1 1340531 ZOBAQUKQKPELRF-UHFFFAOYSA-N 309.413 4.196 0 40 DIAB C[C@@H](Oc1ccc2c(c1)OCO2)c1ccnc(-c2ccccc2)n1 1390319 PPNDDTPKQHDBPD-CYBMUJFWSA-N 320.348 4.012 0 40 DIAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccccc3)c(O)cc12 1405238 PPSFKLAYMLNGMS-UHFFFAOYSA-N 309.365 4.036 0 40 DIAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(Cl)cc2)CC1 1406829 JSLCGLDYCFQAPJ-UHFFFAOYSA-N 310.825 4.151 0 40 DIAB CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O 2502147 LDCYUQWOTSEZCL-XSDIEEQYSA-N 309.453 4.486 0 40 DIAB COc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 4292205 OHUKGPLHMIGYSD-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccc(F)cc1 4678320 SVRRYOJSSGAOSV-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB Cc1cccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)c1 4687934 WTMLMFTXTPZKLS-UHFFFAOYSA-N 315.442 4.067 0 40 DIAB CCCCC(=O)N(CCC)c1nnc(-c2cccc(F)c2)s1 4982561 RGEHFOQRGPZZGG-UHFFFAOYSA-N 321.421 4.277 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1 5008287 MRXZOAGRZBMGHZ-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB COc1ccc(OC)c(Nc2ncnc3c2oc2ccccc23)c1 5219006 RUCUFYUBTPTSOZ-UHFFFAOYSA-N 321.336 4.137 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Nc1c[nH]c2ccccc12 5299984 YADGBAWRZSJQNJ-UHFFFAOYSA-N 315.760 4.474 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nncc3ccccc13)C2=O 5482319 XJNZKZAAIBPJHU-SIIHOXLZSA-N 312.438 4.116 0 40 DIAB Cc1ccc(C)c([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 7785791 BLFUDQBPMQQOBE-ZWKOTPCHSA-N 304.397 4.041 0 40 DIAB COc1cccc(C=O)c1Nc1ccc(C)cc1Br 8703706 WNAXCGOWVHOZPM-UHFFFAOYSA-N 320.186 4.322 0 40 DIAB CCc1ccc([C@@H](NC(=O)NCc2ccco2)C(C)C)cc1 9960884 BMPICEJZPNRQMI-KRWDZBQOSA-N 300.402 4.039 0 40 DIAB COc1cc(CNC(C)C)ccc1OCc1cccc(Cl)c1 10436174 XRTYWKSPRZQXKV-UHFFFAOYSA-N 319.832 4.426 0 40 DIAB CC(C)C[C@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 16966983 QYFXPGHTFHCECJ-KRWDZBQOSA-N 313.445 4.347 0 40 DIAB C[C@]12CCCC(=O)[C@@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1 17111953 XCTUOBOQUJSQJX-NCYKPQTJSA-N 305.421 4.448 0 40 DIAB CC(C)C[C@@H](NC(c1ccccc1)c1ccccc1)[P@@H](=O)O 20444699 BIFANXYIKWJSQZ-KRWDZBQOSA-N 317.369 4.205 0 40 DIAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 24960371 ZUHOCHSDQVILLJ-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB O=C(/C=C\C(=O)n1ccc2ccccc21)n1ccc2ccccc21 31670107 VBEJXJKGFDHYTH-KTKRTIGZSA-N 314.344 4.133 0 40 DIAB C[C@@H](Cc1cccs1)NC(=O)Cc1cccc2ccccc12 33203530 ZHWDILUTVGVXSR-AWEZNQCLSA-N 309.434 4.191 0 40 DIAB O=C(c1ccc(Br)cc1)c1c(F)cccc1Cl 36941765 NVNVGXQIDJCOLR-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 37205946 OZUUVIQWYSHVRU-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB in-vitro Fc1ccc(Br)cc1CNc1nc2ccccc2[nH]1 41069482 ZWZWQXYLGJDBGW-UHFFFAOYSA-N 320.165 4.077 0 40 DIAB O=C(c1ccc(C2OCCO2)cc1)c1cc(Cl)ccc1Cl 43212684 LHJVSKJZVBPFJJ-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB CCc1cccc(NC(=O)NC2CCC(C(F)(F)F)CC2)c1 43333594 XFJLECYRBHIXMX-UHFFFAOYSA-N 314.351 4.492 0 40 DIAB C[C@H]1Sc2ccc(Cl)cc2C(Cl)=C1/C=C/C(=O)O 44201339 AWRWREWYZSGGBP-OHCKJTPYSA-N 301.194 4.425 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1 44950128 BKHAVMYUHCLYMN-GOSISDBHSA-N 313.397 4.108 0 40 DIAB Cc1ccc(OC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c(C)c1 58357055 HHVYZTKPFRQQHA-UHFFFAOYSA-N 324.405 4.371 0 40 DIAB COc1ccc([C@H]2SCC(O)=Nc3ccsc32)cc1OC 71282546 JNZISFBIPITGMY-CQSZACIVSA-N 321.423 4.190 0 40 DIAB C[C@H](Cc1ccco1)NC(=O)CCCC[C@H]1CCSS1 73563089 AUEOXUGMCOYCSC-OCCSQVGLSA-N 313.488 4.041 0 40 DIAB CC(C)c1cccc(CSCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1 95980005 BVRWMKWMKWINPY-GJZGRUSLSA-N 320.502 4.228 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CCCC1 96656534 ANYBTPGWEVZQQA-MRXNPFEDSA-N 305.421 4.476 0 40 DIAB COc1ccc(C(=O)CCc2ccc3ccccc3n2)cc1OC 199729307 YPEQLHFOBWEZRR-UHFFFAOYSA-N 321.376 4.068 0 40 DIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)C1 216353422 JMZCDEGPILBSKP-WFASDCNBSA-N 311.878 4.469 0 40 DIAB CCSc1ccccc1C(=O)NCCCc1cccc(C)c1 219646792 ZHWUHFJBTHFGSH-UHFFFAOYSA-N 313.466 4.470 0 40 DIAB NCCCNc1ccnc2c(Sc3ccccc3)cccc12 222683487 YIDFQFKWHNAPIB-UHFFFAOYSA-N 309.438 4.147 0 40 DIAB Cc1cccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c1C 225022326 SQQCVZQQRJGSET-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1Cl)Oc1ccccc1Cl 225055786 HYSTZQHVRNIFDF-CQSZACIVSA-N 311.164 4.068 0 40 DIAB Cc1ccc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1 225076655 XSIDPRRAGFSLOZ-INIZCTEOSA-N 304.773 4.032 0 40 DIAB COc1ccccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225097960 DXDIHXYGRRHFJZ-OAHLLOKOSA-N 322.813 4.137 0 40 DIAB COc1cc(C)c(C(=O)NCc2cccc(C)c2)cc1C(C)C 225662220 FIXGLCNUJNHQLN-UHFFFAOYSA-N 311.425 4.365 0 40 DIAB Cc1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2)c1 226240603 IUNUMSHMSSKJIC-UHFFFAOYSA-N 316.832 4.097 0 40 DIAB CCCCCc1nn2cc(-c3ccccc3OC)nc2s1 334161097 SVYGDUNQLVSIPS-UHFFFAOYSA-N 301.415 4.199 0 40 DIAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3ccccc3)ccc12 82556 FNUMSBBXAIMFCW-CYBMUJFWSA-N 322.360 4.006 0 40 DIAB O=C(C[C@H](c1ccccc1)N1CCCCC1)OC1CCCCC1 1569385 IACAVAYUXQMBHW-LJQANCHMSA-N 315.457 4.480 0 40 DIAB COC(=O)CCSc1cc(-c2ccccc2)ccc1OC 1657367 FGYVBLIUCSVMIP-UHFFFAOYSA-N 302.395 4.017 0 40 DIAB CC1CCN(P(c2ccccc2)N2CCC(C)CC2)CC1 1737480 FJPWXXUVZAKXTA-UHFFFAOYSA-N 304.418 4.088 0 40 DIAB COc1ccc(COc2ncnc3sc(C)c(C)c23)cc1F 2638837 WFWHXWIYGYYAJJ-UHFFFAOYSA-N 318.373 4.035 0 40 DIAB O=C(NCCc1ccc(Cl)cc1)c1cc2c(s1)CCCC2 2642905 DYSAHIJJCBCHJP-UHFFFAOYSA-N 319.857 4.253 0 40 DIAB Cc1cc(C)c(NC(=O)COC(=O)CCC2CCCC2)c(C)c1 3318495 QPLFVQFWCXELPQ-UHFFFAOYSA-N 317.429 4.064 0 40 DIAB C[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 3413656 OCZAMYHAZJULFG-LBPRGKRZSA-N 305.324 4.420 0 40 DIAB COc1ccc2sc(Nc3nnc(-c4ccccc4)o3)nc2c1 4359839 ZGUPLLRXBNMFPU-UHFFFAOYSA-N 324.365 4.099 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 4679180 GSILBSANXVWBMR-BBFGUCIUSA-N 310.353 4.016 0 40 DIAB CCc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5119423 FKNJAGLGLSKVDS-LLVKDONJSA-N 320.795 4.481 0 40 DIAB CCCCn1c(N)c(C(=O)Nc2cccc(C)c2)sc1=S 6668109 RNYGZABBVXAKMG-UHFFFAOYSA-N 321.471 4.222 0 40 DIAB O=C(Nc1ccc(F)cc1Cl)c1cccc2cccnc12 8073496 LKHJAXOYHRJVBR-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(Cl)c1 9376713 GYHXPGGLEBLBGH-ZDUSSCGKSA-N 302.805 4.243 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 10217755 CDLXBIPAMMQJQD-UHFFFAOYSA-N 322.383 4.041 0 40 DIAB C[C@@H](NC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 12567725 NFMIZZSFBIYZRD-ZIUDEIKKSA-N 312.457 4.263 0 40 DIAB C[C@H](NC(=O)N1CCc2sccc2C1)c1ccccc1Cl 12772669 OCIXVENQLBICGT-NSHDSACASA-N 320.845 4.230 0 40 DIAB COc1ccc(NC(=S)NC2CCCCCCC2)cc1OC 13818550 KOHIFLSHIBYLCG-UHFFFAOYSA-N 322.474 4.103 0 40 DIAB Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1 13988672 QATQRWFDYVSSMK-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2ccccc21 14190499 RNOXDUZYXOWUKW-MRXNPFEDSA-N 320.219 4.340 0 40 DIAB CCCNC(=O)c1ccc(COc2cccc3ccccc23)o1 15951943 VWULJEIGBKBLQF-UHFFFAOYSA-N 309.365 4.152 0 40 DIAB Fc1ccccc1CSc1nc(/C=C/c2cccs2)n[nH]1 22138650 LEKJUWIDOCIYEA-BQYQJAHWSA-N 317.414 4.468 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Oc1ccccc1 32678639 WQVRZUPJJHJLRB-LBPRGKRZSA-N 323.845 4.218 0 40 DIAB Cc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 41097557 MLLGWMQXHRCZGP-WMLDXEAASA-N 310.447 4.334 0 40 DIAB c1ccc(-c2ncc(CN[C@H](c3ccccc3)C3CC3)cn2)cc1 48685772 HIIKYTRWVQMZFI-HXUWFJFHSA-N 315.420 4.385 0 40 DIAB CN1CC=C([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 65743350 CAQVAQIJQYJEND-LJQANCHMSA-N 324.855 4.227 0 40 DIAB in-vitro Nc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 70458764 OVQPIBQKAXAFON-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB C[C@H]1CCCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)C1 72396552 BIXAHXIGAMFJNZ-AWEZNQCLSA-N 320.396 4.035 0 40 DIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633953 LDLXKVUCPJXHNF-QZTJIDSGSA-N 308.377 4.427 0 40 DIAB CCOc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1 100566260 IPFWUNUUIZFAFW-CXTCDGGRSA-N 300.398 4.008 0 40 DIAB Cc1cc(NCCCN)c2cccc(Oc3ccccc3)c2n1 222693015 RINZXLWYMKLCCR-UHFFFAOYSA-N 307.397 4.096 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1Cl)Oc1cccc(Cl)c1 225055885 VOIPJIGQPRRZOQ-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CC[C@H](NC(=O)NC1CCCCC1)c1ccc(OC)c(C)c1 225758878 QTFOBNZLCQBQEH-INIZCTEOSA-N 304.434 4.087 0 40 DIAB COc1ccccc1NC(=O)NCCCc1ccc(Cl)cc1 225768758 POYDDNZNSMSPIF-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Cc1nc([C@@]2(C)CCCN(C3CCCC3)C2)c2sccn12 257328765 XHAMWHGSGPGOGZ-KRWDZBQOSA-N 303.475 4.000 0 40 DIAB C[C@H](N[C@H](C)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 508699460 RESUTTWFXRXMTK-LVCYWYKZSA-N 308.469 4.248 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)cc1 585129131 YWHIQYCGROTABK-SFHVURJKSA-N 322.408 4.013 0 40 DIAB Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1 531921 TUUXKVQSJDVIOR-HOTGVXAUSA-N 310.788 4.078 0 40 DIAB O=C(NCC[C@@H](c1ccccc1)c1ccco1)c1cccs1 536321 NHRHDXBPINCSKX-HNNXBMFYSA-N 311.406 4.293 0 40 DIAB CC(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 3437212 JMRDYYIZYBJZOR-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB O=c1c2cccc3c2c(nn1Cc1ccccc1)-c1ccccc1-3 4192390 VVZSSWWTZGFRQG-UHFFFAOYSA-N 310.356 4.092 0 40 DIAB c1ccc(Cc2nnc3n2CC[C@@H](c2ccccc2)S3)cc1 5760722 XFJYLVDZTTZJGT-INIZCTEOSA-N 307.422 4.106 0 40 DIAB Cc1c(SCC(=O)O)c(-c2ccccc2)nc2ccccc12 6043960 BPCPFLYDNJLMQB-UHFFFAOYSA-N 309.390 4.387 0 40 DIAB CCc1ccc2occ(CC(=O)NCc3ccc(C)cc3)c2c1 6809764 NHQGQXSZVMDPJR-UHFFFAOYSA-N 307.393 4.163 0 40 DIAB CCCCOc1ccc(OCC(=O)Nc2ccccc2C)cc1 7261862 RXTCHLPJOKLZCW-UHFFFAOYSA-N 313.397 4.191 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2S1 11326610 FBVGYFCAWSRHFI-CQSZACIVSA-N 323.339 4.361 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 15471799 UQVLNHBSTLXKSY-SRXBQZRASA-N 315.800 4.239 0 40 DIAB CCOC(CCn1c(CC(C)C)nc2ccccc21)OCC 16740576 WGGROGJRRMGTRZ-UHFFFAOYSA-N 304.434 4.024 0 40 DIAB CN(Cc1ccco1)C(=O)c1ccc(Oc2ccccc2)cc1 17790320 IAEAWBHMRLRGSR-UHFFFAOYSA-N 307.349 4.344 0 40 DIAB CC(C)CCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136777 VEGYXTCMSQDVMP-UHFFFAOYSA-N 321.804 4.467 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2Cl)cc1 20489857 YJYPANGABCANHO-CQSZACIVSA-N 317.816 4.074 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)no2)cc1C 20896684 FMWWNWGQEMNZFR-UHFFFAOYSA-N 311.312 4.317 0 40 DIAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 21787811 ZAEDMAQFPVZKKI-UHFFFAOYSA-N 324.355 4.028 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3)o2)cc1 29673637 BJGOJFGUYRMOEL-UHFFFAOYSA-N 321.376 4.097 0 40 DIAB O=C(CCc1ccccc1F)Nc1ccccc1Br 32516914 WOVZJFIJNCVNAW-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB COc1ccc(NC(=O)c2cccc3ncccc23)cc1Cl 32871970 ZEGILTHIIBDVAV-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB COc1ccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 35671909 RNSVWTDUUQRKKO-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CC[C@H](NC(=O)c1ccccc1C)c1ccccc1OC(F)F 36398112 OTYSPDYUKGUBMD-HNNXBMFYSA-N 319.351 4.478 0 40 DIAB C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)s1 40074619 CFZVBFQLDJJPCJ-ZETCQYMHSA-N 301.745 4.171 0 40 DIAB C[C@H](Nc1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 44874314 APZONXIFITVFGQ-JTQLQIEISA-N 301.296 4.188 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 44904677 CNYDOWJECYSALL-RDJZCZTQSA-N 323.436 4.357 0 40 DIAB O=C(Nc1ccc(N2CCCCCC2)cc1)Nc1cccnc1 57769109 VUNTVYWRWRIQFQ-UHFFFAOYSA-N 310.401 4.106 0 40 DIAB CC(C)c1ccc(CN(Cc2nnc(C(C)C)o2)C2CC2)cc1 60371454 LAQOKJJOTUPQAQ-UHFFFAOYSA-N 313.445 4.481 0 40 DIAB CCCOc1ccc(C(=S)NCc2ccc(F)cc2)cc1 66139569 CIOHCVLHINCPFN-UHFFFAOYSA-N 303.402 4.080 0 40 DIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C)nc1 71844283 PESRCGYUOCIALE-OALUTQOASA-N 308.425 4.188 0 40 DIAB Cc1c(Cl)cccc1N1N=C(C(=O)O)C[C@@H]1c1ccccc1 71979168 IFFQGCWTHNUVJN-MRXNPFEDSA-N 314.772 4.040 0 40 DIAB O=C(NC1CCCCCC1)c1cn[nH]c1-c1cccc(Cl)c1 72328836 BCBRWVOILXAPAS-UHFFFAOYSA-N 317.820 4.183 0 40 DIAB COc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1 73633914 PFDOJMZBUMHDMP-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB CC(=O)Nc1ccc(C)cc1NCc1coc(-c2ccccc2)n1 95974975 MXYSXKQIOXCXBD-UHFFFAOYSA-N 321.380 4.221 0 40 DIAB COCCC1(C(=O)Nc2ccc3cccc(Cl)c3n2)CCC1 96002309 XNPMCNDNDROTJR-UHFFFAOYSA-N 318.804 4.034 0 40 DIAB O=C(Nc1cccc2oc(C(F)(F)F)nc12)C(C1CC1)C1CC1 97032278 FNLXNIZOBAXHBC-UHFFFAOYSA-N 324.302 4.221 0 40 DIAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 102509430 GJPPZKHLUMREPU-GHMZBOCLSA-N 315.244 4.052 0 40 DIAB COc1ccc(CSCC(=O)Nc2c(C)cccc2C)cc1 113935219 OKELILHPTQYFFU-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCCc2ccccc21 222962556 PUUUKHDAGPKFCN-LJQANCHMSA-N 323.436 4.440 0 40 DIAB COC(=O)C(C)(C)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223206069 DHRCOZKKDXLLGE-UHFFFAOYSA-N 301.430 4.257 0 40 DIAB Cc1cccc(C)c1C[C@@H](Oc1ccccc1Cl)C(=O)O 225030610 JIQDFCLXOGIZGF-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225613779 MFCCPQDTQHSOPB-LJQANCHMSA-N 321.461 4.482 0 40 DIAB CCO[C@@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225725316 FSMSNIKRSFDADH-LJQANCHMSA-N 319.445 4.234 0 40 DIAB N#Cc1cccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)c1 390826476 MESJHWVEVQWYDL-INIZCTEOSA-N 324.430 4.201 0 40 DIAB O=C(Cc1ccccc1)c1ccc(OC(F)(F)C(F)F)cc1 575361315 XUXQTUPIZVFEGY-UHFFFAOYSA-N 312.262 4.349 0 40 DIAB CO[C@@H](CNc1ncnc2ccc(Cl)cc12)c1ccsc1 1775972523 JDEVUSAMDZGKPQ-AWEZNQCLSA-N 319.817 4.144 0 40 DIAB Cc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)o1 55361 JXPILPJGVRJDGD-QPEQYQDCSA-N 322.147 4.239 0 40 DIAB Cc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)s1 387206 SGXSNKALGNISFL-UHFFFAOYSA-N 319.238 4.128 0 40 DIAB COc1ccc(COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc1 488991 PWALCAHAMNUZDF-UHFFFAOYSA-N 324.376 4.306 0 40 DIAB biogenic COc1cc(NC(=O)/C=C/c2ccccc2Cl)cc(OC)c1 579373 HXNVMNIDKUERIC-BQYQJAHWSA-N 317.772 4.009 0 40 DIAB COc1ccccc1Nc1nc(C)nc2sc3c(c12)CCC3 753800 JBABWVXQGKKWQX-UHFFFAOYSA-N 311.410 4.241 0 40 DIAB Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccccc1F 2718326 LWFFEMGITYMLJU-UHFFFAOYSA-N 314.385 4.346 0 40 DIAB COc1ccc(C(=O)Nc2ccc3c(c2)N[C@H]2CCCC[C@H]32)cc1 4053777 LBDJUXTWZRBICZ-AEFFLSMTSA-N 322.408 4.399 0 40 DIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1 4059163 VCQWELBLOBIXGT-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB COC(=O)Cc1c(Br)oc2ccc3ccccc3c12 5305469 ACYAEXAHQINSEK-UHFFFAOYSA-N 319.154 4.064 0 40 DIAB Cc1cc(NC(=S)NCc2ccccc2)c2ccccc2n1 5986648 DGBVENAXGCAYBG-UHFFFAOYSA-N 307.422 4.030 0 40 DIAB Cc1ccc(COc2ccc(Br)cc2C(=O)O)cc1 7603881 QNVBCFDBSZYRGC-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB COc1cccc(OCCCSc2nc3ccccc3[nH]2)c1 9191659 RYCCSGCQTIQPKZ-UHFFFAOYSA-N 314.410 4.133 0 40 DIAB Cc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1Cl 12462283 VWGIEFJCEYWSSK-KKNUOHPOSA-N 303.833 4.299 0 40 DIAB Cc1ccc(C)c(C(=O)NCCCn2ccc3ccccc32)c1 12562527 LHFBZLLFFSAHDI-UHFFFAOYSA-N 306.409 4.078 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Nc2cc(C)cc(C)c2)n1 13629087 RZQDADDXTXVSPT-UHFFFAOYSA-N 321.833 4.111 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)Cc2ccccc2)cc1 14268950 WTMFRVAMDTWQBM-MRXNPFEDSA-N 308.425 4.247 0 40 DIAB CC[C@@H](C)[C@@H](C(=O)NCc1nc2ccccc2[nH]1)c1ccccc1 16694487 WIFHAFODCFZSSN-AUUYWEPGSA-N 321.424 4.009 0 40 DIAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 17064557 LUEDTURFRUACFT-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 19736495 YRFWOCGNARONSX-MRXNPFEDSA-N 318.804 4.027 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)NC[C@@H](C)c1ccccc1 32924158 RKIQRNFTLCDFAP-GFCCVEGCSA-N 302.443 4.108 0 40 DIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1ccccc1 40159581 UHEXLBXEMDIDMO-UHFFFAOYSA-N 321.342 4.297 0 40 DIAB Cn1ccc2ccc(C(=O)Nc3nc4ccccc4s3)cc21 40287864 XLRRPDGSBRHMGY-UHFFFAOYSA-N 307.378 4.040 0 40 DIAB O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1 58391592 KHFTUERUENUSRD-OWOJBTEDSA-N 320.420 4.197 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc2C1 69320381 VLOBBYJZPHGRLK-OAQYLSRUSA-N 315.416 4.056 0 40 DIAB Cc1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)c(C)c1 78953957 JROPWORCVLNMSJ-INIZCTEOSA-N 314.454 4.141 0 40 DIAB O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 103967288 HQOHUULTNZNFPF-SLEUVZQESA-N 317.479 4.316 0 40 DIAB Clc1ccc([C@@H](N[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1Cl 108373400 ARHWSQONRPKMJL-CAPXZKIUSA-N 312.240 4.354 0 40 DIAB CC(C)=CCC/C(C)=C/CC/C(C)=C(\O)CP(=O)(O)O 113210647 ACBOJOPFHNLMLX-WISUYLHISA-N 302.351 4.469 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)NCC2=CCCCC2)cc(C)c1Cl 224137184 QVMBGUQLEQXOPW-AWEZNQCLSA-N 321.848 4.341 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 224602926 VMPOCYAPUXRCKA-IAGOWNOFSA-N 305.462 4.403 0 40 DIAB Cc1ccc2[nH]c(-c3ccc(C(=O)NC(C)(C)C)cc3)nc2c1 225260059 XZYDNHNLQALRME-UHFFFAOYSA-N 307.397 4.067 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1 225314025 SXCWUTOHIRAAJR-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NC(C(C)C)C(C)C)c1 225728472 LVTYPWPIJYCTGA-UHFFFAOYSA-N 305.462 4.294 0 40 DIAB FC(F)(F)c1nc2ccncc2c(Cl)c1Br 252481946 CVVFODJBKYBVOQ-UHFFFAOYSA-N 311.488 4.065 0 40 DIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1 408563697 WQRXPHUHNNKWQW-VXPUYCOJSA-N 322.433 4.286 0 40 DIAB c1ccc([C@@H]2C[C@@H](Nc3ccc(-c4cnco4)cc3)CCN2)cc1 518339177 QFRKFRMZBCNLQO-OALUTQOASA-N 319.408 4.247 0 40 DIAB CCN(CC)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 213217 WUFLLCACCGGJAX-UHFFFAOYSA-N 313.298 4.148 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 261010 MWMJFSWVSOPMEM-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB COc1ccc2nc(C)cc(Nc3ccc(NC(C)=O)cc3)c2c1 303358 BVUICDJDFFGMBE-UHFFFAOYSA-N 321.380 4.254 0 40 DIAB CCOP(=O)(OCC)[C@H](O)c1ccc(Cl)cc1Cl 1676183 TVYSHSYXEDJSAC-NSHDSACASA-N 313.117 4.250 0 40 DIAB O=C(O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1690880 RBSRTJKBLCCGPO-UHFFFAOYSA-N 304.729 4.180 0 40 DIAB CCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 2186779 KYAFOIFSMZOCEJ-VKAVYKQESA-N 321.376 4.210 0 40 DIAB Fc1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1 3443112 CFNNRUHQKQNOMT-UHFFFAOYSA-N 313.401 4.321 0 40 DIAB CC(C)c1ccccc1NC(=O)CN1c2ccccc2C[C@H]1C 3536956 AUAJWMOUNSJQFW-OAHLLOKOSA-N 308.425 4.200 0 40 DIAB N=C(N)Sc1cn(Cc2ccc(Cl)cc2)c2ccccc12 3866089 VOWSUHCXOKVQFY-UHFFFAOYSA-N 315.829 4.329 0 40 DIAB Cc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 4539512 YNRXSJFTLXMXKE-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB CCOc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504978 FLYSTUFELIVMNN-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB COc1ccc(Cl)cc1CNC12CC3CC(CC(C3)C1)C2 7524071 WGECFLJDXKLANV-UHFFFAOYSA-N 305.849 4.407 0 40 DIAB O=C1c2ccccc2NC2(CCCC2)N1CCc1ccccc1 8394155 SPGCXVRQXQXNBP-UHFFFAOYSA-N 306.409 4.067 0 40 DIAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1 8780352 UVJLBTAXJYUWDP-GFCCVEGCSA-N 318.804 4.178 0 40 DIAB Cc1ccc(CC(=O)Nc2ccccc2Br)cc1C 10009771 LJOCCTVVURUYRX-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2c(F)cccc2F)on1 12337044 PNOCBCWQYSWQLY-INIZCTEOSA-N 306.356 4.379 0 40 DIAB Cc1ccccc1-c1noc(CN2c3ccccc3CC[C@H]2C)n1 12563218 ZIWGJJMLFUPFEE-OAHLLOKOSA-N 319.408 4.386 0 40 DIAB CSc1ncccc1C(=O)N[C@H](C)c1cccc2ccccc12 13018090 FSNFGNQXNGHBDQ-CYBMUJFWSA-N 322.433 4.448 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689078 KFNJBDQZKJVAGN-CQSZACIVSA-N 321.376 4.254 0 40 DIAB CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2C)o1 16682051 MKNLXNCTHBHTOU-XFXZXTDPSA-N 315.756 4.379 0 40 DIAB Cc1ccccc1N1CCN(c2ncc(Cl)cc2Cl)CC1 22135217 GANNFVSWVBWUQY-UHFFFAOYSA-N 322.239 4.023 0 40 DIAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1 22468831 HKFKEVVTNKPSSL-CYBMUJFWSA-N 312.388 4.144 0 40 DIAB COc1ccc(-c2cnn3c(-c4ccccc4)cc(C)nc23)cc1 22607318 CUSDXBAWJJJDEL-UHFFFAOYSA-N 315.376 4.380 0 40 DIAB CCc1ccc(CN(C)C(=O)N[C@H](C)c2cccs2)cc1 26245629 YPSXENVREMGGRR-CYBMUJFWSA-N 302.443 4.213 0 40 DIAB CC(C)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29482410 XGMFBRBOCBUIPX-HXUWFJFHSA-N 322.452 4.368 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccccc2N2CCCCC2)s1 33859202 JZZNKSHPHXIYKV-UHFFFAOYSA-N 315.442 4.003 0 40 DIAB CN1CCc2c(c3cc(Cl)ccc3n2Cc2ccccc2)C1 34797545 BCCJZLIRFDDMGC-UHFFFAOYSA-N 310.828 4.331 0 40 DIAB CC(=O)Nc1ccc(CN[C@H](c2cccs2)C(C)C)cc1 35016934 CWLGAOSWBCSHHR-KRWDZBQOSA-N 302.443 4.193 0 40 DIAB O=C(O)C(Cc1ccccc1Cl)Cc1ccccc1Cl 37528762 IJBKGOUEJGFVRA-UHFFFAOYSA-N 309.192 4.479 0 40 DIAB COc1cccc(CN(C)[C@@H](C)c2ccc(F)cc2)c1OC 40007513 RORIPQZPHLKCDV-ZDUSSCGKSA-N 303.377 4.036 0 40 DIAB O=C(Cc1cccc(-c2nc3ccccc3s2)c1)N1CCCC1 41127633 ZGEPUYDDOQXXFJ-UHFFFAOYSA-N 322.433 4.128 0 40 DIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccccc1 51999039 MLKZJEVWELDAIB-ZDUSSCGKSA-N 313.426 4.034 0 40 DIAB Cc1occc1C(=O)O[C@H](c1ccncc1)c1ccc(F)cc1 60380762 ANNOQJAJAWNTIN-KRWDZBQOSA-N 311.312 4.069 0 40 DIAB COc1ccc(NC(=S)Nc2cc(C)ccc2F)cc1F 65702918 QBMLFTWQRQJSDF-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB Cc1cc(N2CCc3ccccc32)ncc1[C@@H](O)c1ccccc1 72223948 IXTPCCHYNBDDSQ-NRFANRHFSA-N 316.404 4.166 0 40 DIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2C2CC2)on1 72340353 JWZBIMZSFMKOQB-UHFFFAOYSA-N 324.359 4.069 0 40 DIAB COc1ccccc1[C@@H](C)SCc1nnc(-c2ccco2)o1 76065285 FHKCBFQJVNHXPG-LLVKDONJSA-N 316.382 4.333 0 40 DIAB Cc1cc(NCCCN(C)Cc2ccccc2)c2ccccc2n1 89583174 SQOHREKOTDTFJB-UHFFFAOYSA-N 319.452 4.477 0 40 DIAB CC(C)(C)[C@@H](NCC(=O)N1CCCCCCC1)c1ccccc1 89621640 YSGQFGKEAWYDDJ-IBGZPJMESA-N 316.489 4.156 0 40 DIAB CC(C)(C)[S@](=O)Cc1cccc(NCc2ccsc2)c1 95429133 PUDJGADPFUTCKE-FQEVSTJZSA-N 307.484 4.407 0 40 DIAB Clc1ccc([C@@H](NCC2=CCCOC2)c2ccccc2)cc1 95971801 WVNTYXWUZYNBLI-IBGZPJMESA-N 313.828 4.366 0 40 DIAB CC(C)(C)[C@@H](NCc1nnc(C2CC2)o1)c1ccc(F)cc1F 95985932 DPTQIGFCLHOVCT-HNNXBMFYSA-N 321.371 4.102 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113951618 XQDHDEZMMOJHDD-KDOFPFPSSA-N 315.388 4.169 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(F)c1 113954221 KPPWBZZHKFIPOM-CQSZACIVSA-N 307.752 4.275 0 40 DIAB O=C(CCc1ccc(F)cc1)NCCCc1ccc(Cl)cc1 223184541 CEIODZDEOASRDA-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB CCCCOc1ccc(NC(=O)C(C)(C)OC)c2ccccc12 225789876 BJEZDCWDRKUQKC-UHFFFAOYSA-N 315.413 4.382 0 40 DIAB Cc1nc(Cl)sc1C(=O)Oc1cccc(Cl)c1C 385249 UVXRBYVITJZRSJ-UHFFFAOYSA-N 302.182 4.286 0 40 DIAB Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 385922 OWRCFNXPMWUZJR-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Fc1cc(F)c(F)c(/C=C2\COC(c3ccccc3)=N2)c1F 1275447 UEXVHOOOQDTOAF-UXBLZVDNSA-N 307.246 4.061 0 40 DIAB CC(=O)CSc1ncnc2sc(C)c(-c3ccccc3)c12 1465464 FIKXCQCCDJNIDP-UHFFFAOYSA-N 314.435 4.348 0 40 DIAB OCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 2544727 UPOBQQGAPSENMN-UHFFFAOYSA-N 319.191 4.338 0 40 DIAB CCn1c2ccccc2c2cc(CNC[C@@H]3CCCO3)ccc21 2545036 XBUPRSWJADEZNF-INIZCTEOSA-N 308.425 4.083 0 40 DIAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)C[C@@]4(C)CC[C@@H]32)C1 4777689 OUMKTFKBXXEGOM-ZPNXQJJCSA-N 304.474 4.325 0 40 DIAB biogenic,in-vitro CCC1=CCN(c2cc(C)ccn2)O[C@H]1c1ccc(OC)cc1 5499134 FKGIPVYPZQTBSD-LJQANCHMSA-N 310.397 4.228 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1F 6010706 ACLMQPVAEDNCLF-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 6640743 KJBNFSOBKCEDIY-ALKREAHSSA-N 301.430 4.030 0 40 DIAB COc1cc(/C=C/c2ccc3ccccc3n2)cc(OC)c1O 7586807 KZWODTRFBAHCTC-VQHVLOKHSA-N 307.349 4.128 0 40 DIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1cc(Cl)cc(Cl)c1 8715561 JRGMSRAPYSMYNS-NEPJUHHUSA-N 301.169 4.067 0 40 DIAB Cc1nc(C)c(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1 12143140 AFCISVZDTZYDQX-UHFFFAOYSA-N 318.417 4.098 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(C)n3)ccc2c1 12527453 IQHOTRXMBCSPHI-AWEZNQCLSA-N 320.392 4.294 0 40 DIAB c1ccc(Cn2cc(CN[C@@H]3CCCc4ccccc43)cn2)cc1 24081587 NZVUDFDNJSEDBR-OAQYLSRUSA-N 317.436 4.099 0 40 DIAB Cc1sc(NC(=O)CSC(C)C)nc1-c1ccc(F)cc1 24662638 ULBKEWBZIQLKOB-UHFFFAOYSA-N 324.446 4.338 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 24958015 HZNSKHRQRNWZBB-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1noc2c1CCCCC2 36354758 OYIGOTOZFBYMSD-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccs1 36619616 YUPXNFMBYVLWII-KRWDZBQOSA-N 323.421 4.093 0 40 DIAB Cc1cc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)on1 48264568 JVKYTWLTMLIYNT-CYBMUJFWSA-N 315.398 4.037 0 40 DIAB FC(F)(F)C(F)(F)SCCNCc1ccc(Cl)cc1 95918364 DJLKJHDZKJBEEZ-UHFFFAOYSA-N 319.726 4.318 0 40 DIAB C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C 95978534 UJJDCQDBMRVRGZ-QAPCUYQASA-N 315.457 4.067 0 40 DIAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1ccccc1 100395131 DDLJQACTJIBTLB-NTEUORMPSA-N 302.786 4.338 0 40 DIAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3[C@H](C)C[C@@H]2CC1=O 118935728 NBCSMIORBHVFQN-NRKPMZSLSA-N 318.501 4.451 0 40 DIAB Cc1ccc2oc(C3=CCN(Cc4ccccc4)CC3)nc2c1 138162360 NFJXNIDBWDWGPK-UHFFFAOYSA-N 304.393 4.426 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1 195559870 KDXPRDVRXSGOII-JTWUUNPKSA-N 315.457 4.093 0 40 DIAB Cc1ccccc1O[C@@H](Cc1cccc(Cl)c1C)C(=O)O 225070180 USBPVFOQNPZUDK-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225541829 ZTSZQZPSVXVKRM-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225545995 SFYUIBWUBFBHAW-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccco1 585148076 NDOIGOMHUFSNQX-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB C[C@]1(Cc2ccc(Cl)cc2)CCc2cc(C(=O)O)ccc2O1 2037873370 FBEMCJADDWDNRY-GOSISDBHSA-N 316.784 4.365 0 40 DIAB O=C(c1cccc(Br)c1)c1coc2ccc(O)cc12 36626 MNKNQIHSYWEFDX-UHFFFAOYSA-N 317.138 4.132 0 40 DIAB CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(O)cc12 55132 CNWHEFYCTTZRIK-UHFFFAOYSA-N 309.365 4.130 0 40 DIAB CCc1nnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s1 363657 XKJJJIWCBFMMTQ-LBPRGKRZSA-N 317.458 4.041 0 40 DIAB COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 385296 AXCNFWDKGXEPOB-UHFFFAOYSA-N 320.270 4.431 0 40 DIAB FC(F)(F)c1cc(Oc2ccccc2)nc(-c2ccccn2)n1 1387867 JXJKOYBVRUXXDT-UHFFFAOYSA-N 317.270 4.350 0 40 DIAB Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)OC2=O 5121204 VONRUTQQPQLVCO-UHFFFAOYSA-N 300.357 4.457 0 40 DIAB CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 6295083 NAYUFDKNQOJCNA-JTQLQIEISA-N 322.499 4.291 0 40 DIAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(OC)c1OC 6857350 KPIQTEHUFSYMIU-UHFFFAOYSA-N 309.450 4.017 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CC1CCCCC1 6932821 LDNMYENTMQSETH-UHFFFAOYSA-N 323.820 4.101 0 40 DIAB Cc1ccccc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 8570755 PZPUZBWZDHEZDL-GHRIWEEISA-N 323.417 4.274 0 40 DIAB Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)C1CCCCC1 12154138 NVXOUZQFXIRZBR-OAHLLOKOSA-N 323.868 4.098 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCC1=CCCCC1 13709818 QXFIDQLUXPGKIN-CYBMUJFWSA-N 307.821 4.114 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 13710910 BNIQIZZECYKLCY-INIZCTEOSA-N 309.409 4.050 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(F)cc1 14160477 YVOMCWCFJYEIBN-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB Cc1ccc(Nc2nc3ccccc3c3nnc(C)n23)c(Cl)c1 16285104 IKDAYBSIHLESBS-UHFFFAOYSA-N 323.787 4.291 0 40 DIAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(C)s3)o2)c1 17709889 SCXKTSFYHGBIHY-SECBINFHSA-N 318.427 4.058 0 40 DIAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1N 20343500 NJFKFSLHQVHKBN-UHFFFAOYSA-N 316.404 4.348 0 40 DIAB COc1ccc(CN(C)C(=O)/C=C/c2ccccc2Cl)cc1 32750545 JUHMXTJCIDKYGM-FMIVXFBMSA-N 315.800 4.020 0 40 DIAB O=C(O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 36378526 STNPNMLROBHPNY-UHFFFAOYSA-N 307.305 4.364 0 40 DIAB in-vitro C[C@H]1c2ccsc2CCN1Cc1cc(Cl)c2c(c1)OCO2 36741525 XVONTCFAJAALHW-JTQLQIEISA-N 321.829 4.250 0 40 DIAB COc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)cc1OC 40243482 SGJXFDSTRHLZAZ-OAHLLOKOSA-N 313.180 4.092 0 40 DIAB Cc1cccc(C(=O)Nc2cccc(NC(=O)CC(C)C)c2)c1 41091615 VQFFXSSCERLIEB-UHFFFAOYSA-N 310.397 4.232 0 40 DIAB CCCc1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122788 HSDHLRRSYIUURE-OAHLLOKOSA-N 319.449 4.046 0 40 DIAB C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 44596303 HYJUJKYBRWHCRU-LLVKDONJSA-N 300.229 4.185 0 40 DIAB CCCCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 45947302 FVAFYYHWSCKVNV-UHFFFAOYSA-N 320.820 4.234 0 40 DIAB O=C(NCc1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1 58848330 VMZVDVRAIJCRES-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB Cc1nc(C(=O)Nc2ccccc2O)c(-c2ccccc2)s1 79487415 NUALHNJOERGZOS-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB Cc1ccccc1-c1nc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)no1 97164458 HGJOLKKERRFZTB-XJKSGUPXSA-N 323.396 4.051 0 40 DIAB Cc1csc(C2=C(O)CN([C@H](C)CCCC(C)C)C2=N)n1 102043842 FANMQQTYMKMYBL-GFCCVEGCSA-N 307.463 4.228 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 107327365 FCYFMXXFYWMBRG-AYDFFVQHSA-N 303.471 4.410 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)COc1ccccc1Cl)C2 195559851 HZUDWFYGQNPAEI-HNJNHCNJSA-N 321.848 4.050 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)c(C)c1 219490790 NMCRDJMQVJZQGA-QFBILLFUSA-N 311.425 4.338 0 40 DIAB Cc1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1 220015514 ARIGIKCJCPAEEM-UHFFFAOYSA-N 315.844 4.330 0 40 DIAB CC[C@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 223016020 LOWLKCCKOGOHDC-FQEVSTJZSA-N 307.437 4.375 0 40 DIAB Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1C 224671592 FDJWXLWASDVDFQ-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCCC1 225197730 QDYNGJPQUAHZTK-HNNXBMFYSA-N 315.457 4.172 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)OC)c2ccccc12 225789904 RVOCEGZMAFZONI-CYBMUJFWSA-N 315.413 4.381 0 40 DIAB CCCCC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352465 DIMRFYPUQNDVRL-UHFFFAOYSA-N 321.760 4.427 0 40 DIAB CC(C)[C@@H](Sc1nncn1CC(F)(F)F)c1ccccc1 521394508 FQAKIVRXUZUIQO-GFCCVEGCSA-N 315.364 4.330 0 40 DIAB COc1ccc(CNC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 387715 WGDKGWMUCJENHS-UHFFFAOYSA-N 323.392 4.297 0 40 DIAB Cc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1 1370678 WLLSAYYIDHTBBR-UHFFFAOYSA-N 310.426 4.052 0 40 DIAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(F)cc1 1946101 ZGOVCPKQSJDLGS-RUDMXATFSA-N 305.736 4.140 0 40 DIAB Cc1ccc2c(c1)nnn2CNc1ccccc1-c1ccccc1 3145159 YBRSPAUKCDRYNR-UHFFFAOYSA-N 314.392 4.476 0 40 DIAB C[C@@H](NC(=S)Nc1cccc(OC(F)F)c1)C(C)(C)C 3260287 JXDBQZDCMZRUKY-SECBINFHSA-N 302.390 4.009 0 40 DIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1Cl 3314816 LYBRFQIGRHDLKW-CQSZACIVSA-N 317.816 4.017 0 40 DIAB Cc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 4588636 MWEIAAWFSNZHML-PDGQHHTCSA-N 305.377 4.463 0 40 DIAB CC(C)C[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 5025363 KPMXSEXKDZSHKA-LBPRGKRZSA-N 311.838 4.061 0 40 DIAB Oc1ccccc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1 6229449 ZYTNMXQOLCHRNR-UHFFFAOYSA-N 304.271 4.264 0 40 DIAB COc1ccc(-c2csc(-c3c(C)nc4ccccn34)n2)cc1 6566810 PDQGTYDGSWSIHZ-UHFFFAOYSA-N 321.405 4.442 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 6652267 RVYXROHLOBFWSW-LLVKDONJSA-N 323.314 4.205 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Oc2cc(C)cc(C)c2)n1 6810464 VZAZXPYMLWRXTE-UHFFFAOYSA-N 322.817 4.078 0 40 DIAB CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 6939552 QUAXQGYCHPJFDE-QGZVFWFLSA-N 319.857 4.299 0 40 DIAB COc1cccc(CN(C)c2cc(C)nc3ccc(OC)cc23)c1 7778720 FUXUQNGEFCEITQ-UHFFFAOYSA-N 322.408 4.197 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)NC1CCCCCCC1 8478652 ZAJBNIDVHWKKJP-MRXNPFEDSA-N 307.409 4.212 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc2ccccc2n1 11178246 VULSQBXEUMULRT-UHFFFAOYSA-N 316.404 4.087 0 40 DIAB Cc1ccc(C)c(OCCSc2nc3ccccc3n2C)c1 11667104 MRZKOQZSXJJOOF-UHFFFAOYSA-N 312.438 4.361 0 40 DIAB Cc1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)n1 12533856 ZCWGPWQOTASNFL-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(-c2nc(C(=O)N3CCCCCC3)cs2)cc1 12614479 UOCQAJIHOBITQE-UHFFFAOYSA-N 300.427 4.135 0 40 DIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccs1 12786261 HIWQVCYEVHCKNH-VIFPVBQESA-N 314.237 4.475 0 40 DIAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 12786264 RIOQMHLAJDCNNH-SECBINFHSA-N 315.316 4.138 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1c[nH]c2ccccc12 12934130 PEMAYZUIWCCZOS-CQSZACIVSA-N 304.393 4.078 0 40 DIAB Fc1cccc(CN(Cc2cccnc2)Cc2cccs2)c1 13569703 RGXOQSOVARBWIA-UHFFFAOYSA-N 312.413 4.485 0 40 DIAB CCN(CC)CCNCc1ccc2c(c1)c1ccccc1n2CC 22076212 SZGGFJUQPDLLTK-UHFFFAOYSA-N 323.484 4.246 0 40 DIAB CNc1nc(S[C@@H](C)C(=O)c2ccccc2)nc2ccccc12 29424967 JBFIUCOTISXPLF-LBPRGKRZSA-N 323.421 4.035 0 40 DIAB C[C@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 32931179 HXDXSJLQUOXYKA-IRXDYDNUSA-N 312.457 4.213 0 40 DIAB Oc1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1 35615763 OXWJYMKOBUNKGU-UHFFFAOYSA-N 301.349 4.451 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@@H]2CCCC[C@H]2C1 43162317 ZCQSAVUMBZLUAE-HOCLYGCPSA-N 309.413 4.279 0 40 DIAB O=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1 43210240 ZICHBLKRAOAEKT-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2Br)C1 48312031 LBUFULDSXKVZDQ-QWRGUYRKSA-N 311.223 4.149 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cscn1 50310747 SPUHFEVLIWRRBW-ABZNLYFFSA-N 312.394 4.122 0 40 DIAB Cc1nc(Cl)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72217936 DDSOKMSJYWOEIP-INIZCTEOSA-N 314.816 4.411 0 40 DIAB Cn1cc([C@@H]2CCC(=O)N2Cc2ccccc2)c2ccccc21 85430392 FLGXWSNZIPBUQV-IBGZPJMESA-N 304.393 4.042 0 40 DIAB O=C(c1cccc(Oc2ccccn2)c1)N1CCc2ccccc21 96122690 NFBUPPKTQRKCDI-UHFFFAOYSA-N 316.360 4.077 0 40 DIAB CC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 97151478 VBDILHRTXFYXOK-MRXNPFEDSA-N 317.816 4.352 0 40 DIAB C[C@]12CC3CC(NC(=O)c4ccc(F)cc4)(C1)C[C@](C)(C3)C2 100980791 VKODWLWRHKNDLQ-HSOIFAIESA-N 301.405 4.305 0 40 DIAB Cc1ccc(C)c(OCC(=O)n2c(C)c(C=O)c3ccccc32)c1 218736732 LJBLPIYSCYCSMQ-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)cc1 225697921 SIXQXSCZMIRQQC-SFHVURJKSA-N 307.434 4.398 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2Cl)c1 409051511 DNPUFMPWNRCHGQ-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc3ccccc23)c1 516373 UNWSOLNNZHMMOO-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CCc1cccc(CC)c1NC(=O)CSc1nc(C)cs1 2616390 UUGQDEGUZDYCRB-UHFFFAOYSA-N 320.483 4.307 0 40 DIAB O=c1oc2cc(OCc3ccccc3)ccc2c2c1CCCC2 3892459 RMBDGDFCQUTEBF-UHFFFAOYSA-N 306.361 4.251 0 40 DIAB biogenic CC(=O)[C@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 4062252 JGMOKGBVKVMRFX-WSBLSWJJSA-N 312.453 4.500 0 40 DIAB in-man COc1ccc(C)cc1NC(=O)CCCOc1ccc(C)cc1 5814489 LIJCQVIGJVPZPC-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Cc1ccccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 6393252 IKZDFSPAFRFACC-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB Cc1n[nH]c2c1[C@H](c1ccc3ccccc3c1)S[C@@H](C)C(=O)N2 6678457 CVDLSEXVSGVCDF-ZBEGNZNMSA-N 323.421 4.035 0 40 DIAB Nc1ccc(SCC(=O)c2ccc(Br)cc2)cc1 6756516 LYWLRWFJSOTGPP-UHFFFAOYSA-N 322.227 4.006 0 40 DIAB CCCCOc1ccccc1NC(=O)c1sc(C)nc1C 7995373 HQAGBVIZSDUJST-UHFFFAOYSA-N 304.415 4.191 0 40 DIAB Cc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1C 8291732 UYRPMHHLCJSZNE-UHFFFAOYSA-N 310.422 4.484 0 40 DIAB CC(C)c1ccc([C@@H](C)NCC(=O)N2CCc3ccccc32)cc1 8314497 YBSKUYQIWSCGTN-MRXNPFEDSA-N 322.452 4.050 0 40 DIAB CCOc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 8324013 QCKLOEYMKNSBQO-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 8480743 AAKWRXPMPJUPKT-MRXNPFEDSA-N 301.430 4.077 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8493117 BBXRPWBDAHBUGH-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CCOc1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 12493087 BXSNYPJNRVZOIR-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB C[C@H]1CCN(C(=O)c2ccc(F)cc2)c2ccccc2S1 12779801 JCDWVUVBYUBWBU-LBPRGKRZSA-N 301.386 4.357 0 40 DIAB CC(C)CNC(=S)Nc1ccc(Br)c(Cl)c1 13840878 UIUNYOXMANNBEQ-UHFFFAOYSA-N 321.671 4.045 0 40 DIAB CSCc1c(C(=O)Nc2ncc(C)s2)oc2ccccc12 14171648 SQVWMSFZVNQFAE-UHFFFAOYSA-N 318.423 4.313 0 40 DIAB CCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1 20610125 KJSRCZPAWOQJQZ-UHFFFAOYSA-N 322.412 4.112 0 40 DIAB Cc1cccc([C@@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)c1 20632833 IQMSSSLMMYGXIV-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB CC(C)(C)OC(=O)NCCCCCCCCCCCCO 22052529 HIBZRRWYVBWYBE-UHFFFAOYSA-N 301.471 4.404 0 40 DIAB in-vitro CC(C)n1nccc1NC(=O)c1ccc(-c2ccccc2F)o1 25050792 SZYXFHODEHDCRM-UHFFFAOYSA-N 313.332 4.115 0 40 DIAB Cc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 26652323 KJZVJFUPSUVWEG-UHFFFAOYSA-N 324.380 4.074 0 40 DIAB CC(C)CC[C@@H](CC(=O)N1CCCC1)[C@H]1CCOC(C)(C)C1 26961494 MSFCXDXGXWFVDF-IRXDYDNUSA-N 309.494 4.257 0 40 DIAB O=C(Nc1ccccn1)c1cccc2c3c([nH]c12)CCCCC3 28099538 LFQSTBGRTPGBEW-UHFFFAOYSA-N 305.381 4.084 0 40 DIAB Cc1cc2ccccc2n1CC(=O)N(Cc1ccccc1)C1CC1 31086838 SDBKKOGGCXKOEM-UHFFFAOYSA-N 318.420 4.141 0 40 DIAB O[C@H](CN1CCC[C@@H]1c1cccs1)c1ccccc1Cl 36395342 ZKGAVHXHAOLNLC-HUUCEWRRSA-N 307.846 4.272 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1 44842586 FXFWWQYPEYIMSG-INIZCTEOSA-N 319.404 4.404 0 40 DIAB Cc1c(C(=O)Nc2ccccc2-n2cccn2)oc2ccccc12 47974278 VUMOGZUEECIMRT-UHFFFAOYSA-N 317.348 4.179 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1 56183914 UPVCLGIEAJYONE-NSHDSACASA-N 312.344 4.266 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72214869 RCWVNRNFIAABAJ-UHFFFAOYSA-N 317.433 4.205 0 40 DIAB CCOc1cc(N)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 73638487 MYZNRXIKFBTZQQ-UHFFFAOYSA-N 312.413 4.217 0 40 DIAB O=C(Oc1ccccc1)N1CCC(c2noc3ccccc23)CC1 77312503 NGRNBVDYWKRIAB-UHFFFAOYSA-N 322.364 4.206 0 40 DIAB in-vitro FC(F)(F)Oc1ccc(-c2ccc(Br)cn2)cc1 90411479 ITEJJZVCQTYBAV-UHFFFAOYSA-N 318.092 4.410 0 40 DIAB Fc1cc(OCc2ccc(Br)cc2)cc(F)c1F 95915355 FPRRWKXWKBXQHX-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB CCCN(CC(=O)Nc1ccccc1C)[C@H](C)c1ccccc1 96954047 QBGLFOAOTXJMSQ-QGZVFWFLSA-N 310.441 4.407 0 40 DIAB Clc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100636849 OHUDPBJJSRJZKC-ZDUSSCGKSA-N 314.801 4.049 0 40 DIAB O=C(N[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccccc1C(F)(F)F 103102844 MFSJUFSYVADZBZ-FKTXBDBJSA-N 323.358 4.260 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Oc2ncccn2)cc1 106104877 PASPPHUGFMKICK-KKUMJFAQSA-N 323.396 4.034 0 40 DIAB OCc1ccccc1NCc1ccc(-c2c(F)cccc2F)o1 157748972 DLKIXPITLGBAHZ-UHFFFAOYSA-N 315.319 4.329 0 40 DIAB CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 195559831 KJBNFSOBKCEDIY-IDHHARJASA-N 301.430 4.030 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2ccc(OC)c(C)c2)c1 224138907 YHKVOXMYXLYTGW-UHFFFAOYSA-N 311.425 4.058 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CSc1ccc(OC)cc1 224338322 QWSXQKWAMKFGEK-CQSZACIVSA-N 309.475 4.120 0 40 DIAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)O)o2)cc1 224915001 KCSOHIBLSJAVSF-UHFFFAOYSA-N 309.321 4.106 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)C1(c2ccccc2)CCOCC1 225108279 YVUBAPIPFRZOJA-UHFFFAOYSA-N 317.473 4.066 0 40 DIAB O=C(NCCCc1cc2ccccc2o1)c1ccc(F)c(F)c1 390831129 PUMLGRAEZPZKBW-UHFFFAOYSA-N 315.319 4.074 0 40 DIAB C[C@@H](CC(=O)N1CCC(=C(F)F)CC1)Cc1cccc(F)c1 585127326 XJVRDGLEKSFDDJ-GFCCVEGCSA-N 311.347 4.167 0 40 DIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1 97267 ZQWPQURIYITFBC-UHFFFAOYSA-N 323.204 4.355 0 40 DIAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 424093 NZLOHUVEULHDHZ-MRXNPFEDSA-N 303.814 4.427 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2cccc(F)c2)c(C)c1 1913980 PUPZSNRAIBIOGX-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB Cc1ccc2oc(-c3ccccc3)c/c(=N\C[C@H]3CCCO3)c2c1 1916577 VLBQGFUEJQQIBW-QGSQVHNNSA-N 319.404 4.488 0 40 DIAB C[C@H]1CC[C@](C)(C(=O)COC(=O)CCc2ccccc2)C1(C)C 3846184 MNRYYNBFZMOGDH-MGPUTAFESA-N 316.441 4.194 0 40 DIAB biogenic CCCCC[C@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4026290 PXYJMKXLGSFPLG-CGHHPOIWSA-N 308.462 4.363 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C\c1nccc2ccccc12 4774265 IRRXVUZUTRHHKJ-HJWRWDBZSA-N 321.376 4.431 0 40 DIAB Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2sccc21 4971157 DZSSFSIEJJIWNU-UHFFFAOYSA-N 308.765 4.285 0 40 DIAB Nc1ccccc1SCC(=O)c1ccc(Br)cc1 5394982 PJIVKTULDZBVAV-UHFFFAOYSA-N 322.227 4.006 0 40 DIAB Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(Cl)cc2)c1C 5555541 XXISUVWELSJYCI-UHFFFAOYSA-N 324.829 4.341 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1F 6888690 HNWOKDLWJRAAPV-UHFFFAOYSA-N 316.134 4.453 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl 7218537 CZEINCONGRNWEV-CQSZACIVSA-N 322.191 4.247 0 40 DIAB S=C(NCCc1ccccc1)N1CCC[C@H]1c1cccs1 7621968 ZBHMLFRDHAOIDF-HNNXBMFYSA-N 316.495 4.002 0 40 DIAB CC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 9549055 BKBQZEJWLCAKAU-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10428744 AXWJZRBSCPIZGR-IBGZPJMESA-N 324.424 4.083 0 40 DIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 12623668 QTZJBZLWLWTGTB-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)C1 13670335 PIWBJWCOJMBPNB-HUUCEWRRSA-N 303.446 4.010 0 40 DIAB O=C(NCCc1cccs1)c1ccc(-c2ccccc2)cc1 17909546 JNLZGBFKPDGOKU-UHFFFAOYSA-N 307.418 4.388 0 40 DIAB C[C@H]1CN(C(=S)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 18219876 MDYOJRKMXJIHFF-GASCZTMLSA-N 311.450 4.138 0 40 DIAB COc1cc2c(cc1CN[C@@H]1CCCc3ccccc31)O[C@@H](C)C2 25259855 KOQNBDLESMLTMX-IFXJQAMLSA-N 323.436 4.186 0 40 DIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 30011872 HXMSEPKWUNDNOX-UHFFFAOYSA-N 319.408 4.047 0 40 DIAB Cc1ccccc1C(=O)Nc1c(C)cc2nc(N)sc2c1C 45888490 NETVXXGZKGIGSS-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB CNc1nc2c(s1)[C@@H](c1cc(Cl)ccc1F)CC(O)=N2 61718712 BXNCGCUTPBSRIE-MRVPVSSYSA-N 311.769 4.101 0 40 DIAB Cc1cc(NC(=O)N(Cc2ccccc2)C2CCCCC2)no1 69026499 RZDXVLYTCPDXFS-UHFFFAOYSA-N 313.401 4.350 0 40 DIAB Cc1csc([C@H](C)NC(=O)Nc2cccc(C(F)F)c2)n1 69680775 JDQUFUPYBYEZEJ-VIFPVBQESA-N 311.357 4.272 0 40 DIAB O=C(c1cc2ccccc2o1)N(C[C@H]1CCOC1)c1ccccc1 71805632 KUSWKSGETOKLRI-OAHLLOKOSA-N 321.376 4.116 0 40 DIAB CCO[C@H](C)c1nc(CN(C)[C@@H](C)c2cccs2)cs1 78824303 PRUSFIRBZBVLOR-NWDGAFQWSA-N 310.488 4.495 0 40 DIAB O=C(OCc1ccccc1Cl)c1csc([C@H]2CCCO2)n1 95975286 GLQMWPZBQVGUJS-CYBMUJFWSA-N 323.801 4.005 0 40 DIAB CO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1C 96105181 IKRYAWMCZHBBAP-SFHVURJKSA-N 312.413 4.121 0 40 DIAB Cc1nn2c(O)cc(Cc3ccsc3)nc2c1-c1ccccc1 100776151 YFTDQVLFEDVXPL-UHFFFAOYSA-N 321.405 4.063 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 113960825 ZDUANKOHXOIJNU-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCCCCC1 216143983 KUIJJCWGQUWXGF-LJQANCHMSA-N 311.425 4.400 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 219524629 ZMRHOFPSDLQKEA-INIZCTEOSA-N 309.409 4.050 0 40 DIAB O=C(O)c1cccnc1Nc1ccccc1Oc1ccccc1 223177686 AVQNQMXIMPKZJX-UHFFFAOYSA-N 306.321 4.316 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN2CCCC2)cc1 224093923 XMJSDQIRWSIKJM-UHFFFAOYSA-N 316.489 4.227 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224242474 IOGFZIBIJKOZHX-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB COCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 224397144 ZHRIVZKBGGZSJV-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCCCc1ccccc1 225305199 OQISGPUJLUUEDW-UHFFFAOYSA-N 301.817 4.022 0 40 DIAB Nc1cccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)c1 226102326 SZEHXMOONQQIME-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB Cc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1 589998138 UVJKNNUEQDYFLW-UHFFFAOYSA-N 302.381 4.079 0 40 DIAB Cc1cc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 247051 SCPZYFLRLZAUCW-UHFFFAOYSA-N 317.454 4.338 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1C 248037 HOSUCLCHIDHMKH-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1nc2sc3c(N4CCCC4)ncnc3c2c2c1CCCC2 500693 HLOMWEVYBXIISZ-UHFFFAOYSA-N 324.453 4.027 0 40 DIAB COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OC 579370 UDBAUJSQGZTXCA-JXMROGBWSA-N 317.772 4.009 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)cc1 586172 WMASTILJZKYNKN-UHFFFAOYSA-N 302.424 4.035 0 40 DIAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1 2887353 NXWZNTXKAMMMAK-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 3567502 QONZQXIIZLTOKB-UHFFFAOYSA-N 309.196 4.068 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F 4309484 FXHPOENPCCODRV-UHFFFAOYSA-N 323.358 4.404 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)O 6472614 MGMOLZNAUACBCR-WSVRAQSBSA-N 318.457 4.011 0 40 DIAB biogenic Cc1cccc(C)c1OC(=O)c1c(-c2ccccc2)noc1C 7007775 QJSWOVYFGVXLFP-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 7912661 XZPUSCOCXDLJMM-UHFFFAOYSA-N 318.417 4.050 0 40 DIAB CSc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 8274865 PDSLXFRJSGOIHA-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB COc1cccc(CC(=O)Nc2c(C)cc(C)cc2Cl)c1 8390701 KCXKQRQSEXBTTI-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB CC(C)Oc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 8569190 VRRVDMNNTUVGOF-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB COc1cccc(CN(C)C(=O)Nc2cccc(Cl)c2)c1 9502985 RHQVPJZQXXXCRH-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB COc1ccc(-c2nnc(SCCc3ccccc3)o2)cc1 12248188 IIEIRMGLUSBDKS-UHFFFAOYSA-N 312.394 4.080 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3cc(C)ccc3C)cc2c1 12493169 TZPQBTLXHHTVAW-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(C)ccn3)ccc2c1 12539125 QUOGFPPPCZTQAX-CQSZACIVSA-N 320.392 4.294 0 40 DIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(F)c1 12749938 KTPCRSXTBHYNOK-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 12938946 USPGEGOEMSIIKO-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Oc1ccc(-c2nc3cnccn3c2NC2CCCCCC2)cc1 15414470 GMPNWGMZCOWCJA-UHFFFAOYSA-N 322.412 4.237 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCc1cccc(C)c1 16349240 QBYLHIZWDCWGHT-UHFFFAOYSA-N 313.441 4.471 0 40 DIAB CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1C 19736116 CKEQOIUMLSPLQJ-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)c(C)c1 20451098 NXKXKUUGAPIIMD-CQSZACIVSA-N 301.817 4.377 0 40 DIAB Fc1ccc(-c2cnc(CN3CCc4ccccc4C3)o2)cc1 24061534 YWRIOCLVYPYCIL-UHFFFAOYSA-N 308.356 4.039 0 40 DIAB Cc1cccc(NC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c1 28226243 GIQMFAVEPYXKSG-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB CC1(C)C[C@@H](NCC[C@](C)(c2ccccc2)C2CC2)CCO1 32090143 LWNXYDKNRVFMAG-AZUAARDMSA-N 301.474 4.292 0 40 DIAB C[C@@H](O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 35646263 KWYUSLUCZDLSLW-SECBINFHSA-N 310.180 4.299 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCCC1 38753585 PUGNPEBRSZOLHU-OAHLLOKOSA-N 309.837 4.289 0 40 DIAB CCCCOc1cccc(CNC(=O)CCc2ccsc2)c1 40122173 VBPWVMANGYDGJK-UHFFFAOYSA-N 317.454 4.176 0 40 DIAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@]12C 43722393 DQOPJSFDWXFQLN-JIWXIQHESA-N 304.474 4.061 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CC[C@H]1c1ccccc1 47747653 LYHTYCWDBUHGEP-KRWDZBQOSA-N 303.365 4.214 0 40 DIAB Cc1ncc(C(=O)Nc2ccc(N3CCCCCC3)cc2)s1 65474958 KRJIAYTWOWQMPV-UHFFFAOYSA-N 315.442 4.084 0 40 DIAB CCN(C(=O)CC(C)C)[C@@H](c1ccc(F)cc1)c1cccnc1 65568636 OHHTXFPPDTWJRL-IBGZPJMESA-N 314.404 4.205 0 40 DIAB CC(=O)CC(=O)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C 66087570 BXDDCSJLFXQMOL-UHFFFAOYSA-N 320.392 4.071 0 40 DIAB Cc1cc([C@@H](N)c2ccccc2)cnc1OCc1ccccc1 72222394 AACYJVSZMVLGCU-IBGZPJMESA-N 304.393 4.017 0 40 DIAB CCc1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 73639182 MGYRWORTCDGYHU-UHFFFAOYSA-N 314.801 4.222 0 40 DIAB COc1cccc(F)c1[C@@H](C)Nc1ccc(OC(F)F)cn1 89904509 MVJGFLOZKHKCMU-SECBINFHSA-N 312.291 4.004 0 40 DIAB O=C(NCC1(C2CCCCC2)CCCCC1)C1CCOCC1 95980191 UQVXMJJQMZPZKI-UHFFFAOYSA-N 307.478 4.060 0 40 DIAB C[C@@H](c1cccs1)N(C)C(=O)C[C@@H]1CCOc2ccccc21 96410039 VIFYZMAFIJXSBD-KBPBESRZSA-N 315.438 4.224 0 40 DIAB Cc1ccc(SCc2cc(O)n(-c3ccc(F)cc3)n2)cc1 100072261 LJHBKSVTGSRGNB-UHFFFAOYSA-N 314.385 4.318 0 40 DIAB Cc1ccc(NC(=O)COc2cccc3c2CCCC3)c(C)c1 222670838 WXGTXGKEADAGRE-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc3ccccc23)cc1 222864451 QCVVQNUWPCCTJV-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB Cc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 224453758 WAVZMFRRUKJFAY-UHFFFAOYSA-N 322.235 4.469 0 40 DIAB Nc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 226311561 YPYORJDIMBODJR-UHFFFAOYSA-N 319.389 4.284 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)C[C@H](O)CC[C@]34C)[C@H]1CCC2=O 245239345 IBAJBHMZVIYPNR-SOKRPGPDSA-N 304.474 4.349 0 40 DIAB Cc1csc2nc(SCc3ccccc3F)nc(O)c12 408597865 STOIQGYIWVHVFP-UHFFFAOYSA-N 306.387 4.137 0 40 DIAB Cc1cccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)c1 134155 DWQGNPMZBDZOLT-UHFFFAOYSA-N 322.433 4.224 0 40 DIAB CSc1ccccc1C(=O)c1cccc(CN2CCCC2)c1 2515058 BJIRMOODTDMJEP-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB COc1ccccc1NC(=S)N[C@H]1CCCc2ccccc21 3208821 KEBOTHYJZDPPDA-HNNXBMFYSA-N 312.438 4.059 0 40 DIAB C/C=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 3404656 BMIIGRFPXDUSJM-SNAWJCMRSA-N 311.381 4.054 0 40 DIAB COc1ccc2c(CC(=O)Nc3ccccc3Cl)coc2c1 3452703 AHEHZRNVSGLSKD-UHFFFAOYSA-N 315.756 4.276 0 40 DIAB OC1=N[C@@H](c2ccncc2)Nc2scc(-c3ccccc3)c21 4125411 CYLVYCGBCLSTRC-OAHLLOKOSA-N 307.378 4.239 0 40 DIAB CC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 5678080 PIFRYDUIYNJMDN-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB COCc1cc(C)nc2scc(NC(=O)c3ccccc3)c12 6659484 LAQQDUPKWYGIFH-UHFFFAOYSA-N 312.394 4.003 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)NCCC(C)C)s2)cc1 6756566 MXZWXWNPTKGEHU-UHFFFAOYSA-N 302.443 4.203 0 40 DIAB Clc1ccc(Cl)c(OCc2nnc(-c3ccco3)o2)c1 7039822 JSWDQXYGBUHGHY-UHFFFAOYSA-N 311.124 4.215 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 7653818 GGTBLHOOVZXVID-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1OC 8275369 OGZXLOFLLDYZQJ-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 8485260 ZYBSBDPHPGLLNS-UHFFFAOYSA-N 315.244 4.196 0 40 DIAB CC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11309230 HZCWDSWWDNXHOT-SFHVURJKSA-N 322.408 4.167 0 40 DIAB CSc1cccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 11326419 HKCGYZOGDAIZGK-MRXNPFEDSA-N 315.463 4.372 0 40 DIAB CCCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12913306 GWFZZTOKBDACKD-UHFFFAOYSA-N 320.414 4.293 0 40 DIAB Cc1ccc(C)c(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1 15190137 ZBGKHLGEEQHABP-UHFFFAOYSA-N 323.223 4.495 0 40 DIAB CC(C)COc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736516 HXRXVYXMYYFFCO-UHFFFAOYSA-N 318.804 4.209 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCc2ccccc21 20460929 RCHMDRIVGIZZTN-GOSISDBHSA-N 309.409 4.050 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1 20632653 WPBVTDDMAHDZDS-INIZCTEOSA-N 302.377 4.093 0 40 DIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1 27143735 COCISMFAYLEGKA-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 29240581 HUUBIDVAQQLIFS-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB Cc1ccc(NC(=O)NCCCOC2CCCCC2)c(C)c1 40024026 JKOBWKHMAWCIKT-UHFFFAOYSA-N 304.434 4.164 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N(C)Cc1cccc(F)c1 40096172 QCJITAVIZLBVMH-UHFFFAOYSA-N 322.767 4.152 0 40 DIAB CC(C)(C)n1cc(CN[C@H]2CCSc3ccc(F)cc32)cn1 42929838 OBEIHGBJTAZTSK-HNNXBMFYSA-N 319.449 4.104 0 40 DIAB Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1C 44632041 LOXPRRWPWUPJLO-UHFFFAOYSA-N 312.394 4.196 0 40 DIAB CCOC(=O)Cc1csc(Nc2c(CC)cccc2CC)n1 45170296 ZDCGSZGCPWBINN-UHFFFAOYSA-N 318.442 4.117 0 40 DIAB Cc1[nH]c2ccc(CNC(=O)N3CCCCCCC3)cc2c1C 65031677 BZMNCZSGHODGOD-UHFFFAOYSA-N 313.445 4.260 0 40 DIAB O=C(Nc1cnn(-c2ccccc2)c1)c1sccc1C1CC1 67238026 KXPVXXCPAPQLQD-UHFFFAOYSA-N 309.394 4.064 0 40 DIAB CCc1ncc(CN(C)C(=O)Nc2cccc(Cl)c2C)s1 67487266 UQSXBKJUBNUSJM-UHFFFAOYSA-N 323.849 4.331 0 40 DIAB CN(C(=O)CC(C)(C)C)[C@@H](c1cccc(F)c1)c1ccccn1 71185804 REBAGCACMDABFM-SFHVURJKSA-N 314.404 4.205 0 40 DIAB CCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(N)n2)cc1 71977771 RJWDFTQHHIFYTB-UHFFFAOYSA-N 305.381 4.100 0 40 DIAB Cc1nc(C(C)(C)C)sc1[C@@H](C)NCC1(O)CCCCC1 87017578 UCDNFBOCWLUZGI-GFCCVEGCSA-N 310.507 4.095 0 40 DIAB Cc1cc(CSCc2ncc(-c3ccccc3C)o2)on1 96433404 IBAMIQLJCAFUSE-UHFFFAOYSA-N 300.383 4.380 0 40 DIAB COc1ccc(Cl)cc1[C@@H](C)N[C@@H](C)c1c(C)noc1C 96477628 MBWXCBLCYWFQQQ-ZJUUUORDSA-N 308.809 4.365 0 40 DIAB Cc1ccccc1-c1nc(CNCc2ccc([C@H]3C[C@@H]3C)o2)no1 97164459 HGJOLKKERRFZTB-BBRMVZONSA-N 323.396 4.051 0 40 DIAB CC(=O)c1cccc(N/C(C)=C/c2sc3ccccc3[n+]2C)c1 100264149 BPRZFHWVAJJMQH-UHFFFAOYSA-O 323.441 4.401 0 40 DIAB CC(C)Sc1ccc(CC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 206912973 KTYGSDYCNOSTFD-HOTGVXAUSA-N 301.455 4.049 0 40 DIAB Cc1c(C(=O)O)c2ccccc2n1Cc1ccc(F)cc1Cl 216948349 AHCKHMKBRANYOF-UHFFFAOYSA-N 317.747 4.489 0 40 DIAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(F)s2)cc1 225388356 DTVGQUOZBXVHNZ-SNVBAGLBSA-N 313.419 4.202 0 40 DIAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 225859213 NMZRGMCFVKZUSG-UHFFFAOYSA-N 324.424 4.321 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)c(C)n1 225905727 GUPXISBWNUQZGL-SFHVURJKSA-N 322.449 4.103 0 40 DIAB Brc1cncc(-c2ccccc2Br)c1 237974322 DOGKYKAGIROIFO-UHFFFAOYSA-N 312.992 4.274 0 40 DIAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3F)nn2)c1 408527585 GIANPSIIEKHCDM-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB O=C(NCCc1ccc(-c2cccs2)s1)[C@@H]1CC=CCC1 1889229445 NJYYZGFXODAZFB-CYBMUJFWSA-N 317.479 4.492 0 40 DIAB CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 76600 UKXWJSHMPRHLIB-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 362223 OWSIWQJNARUEKO-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB Cc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)o1 478004 SIQPNIHKGXOWKX-GZTJUZNOSA-N 303.317 4.086 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4ccc(Br)cc4)[C@H]1CC[C@]23C 1448359 SQKXZXNUXWFJFG-ARLBYUKCSA-N 320.230 4.214 0 40 DIAB COc1cccc(C(=O)OCc2c(Cl)cccc2Cl)c1 2635255 YZJPZEBKPPOFNJ-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB O=C(OCc1csc(-c2ccccc2)n1)c1cccs1 2651739 VSNDBKLNDMGCTD-UHFFFAOYSA-N 301.392 4.229 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OC(F)F 3362695 HPVAXLFXGQDDKM-HNNXBMFYSA-N 317.335 4.095 0 40 DIAB C/C=C\COc1cc(NC(=S)c2ccoc2C)ccc1OC 5733214 QGAMPXMFWLQPFR-PLNGDYQASA-N 317.410 4.339 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(C)cc2)nc2cc(C)ccn12 5869935 LPVJAOWKUWVJRU-UHFFFAOYSA-N 309.369 4.187 0 40 DIAB C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1Cl 6566373 XGHOGRQGQKPKTK-MFKMUULPSA-N 315.244 4.100 0 40 DIAB CCc1ccc2oc(C(=O)Nc3ccc(C)cc3C)cc(=O)c2c1 6811273 OIRCUCLZBPXSPK-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)c1 7595738 UQAUGYFKAXQIMY-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cc2ccccc2o1 8238666 FAQZURPEGXPLOY-NSHDSACASA-N 311.406 4.474 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1F 12562206 FPRVYGLUTCBBSQ-CYBMUJFWSA-N 312.388 4.062 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NCCSc1ccccc1 12567717 IOWFXODKGCXPDA-UHFFFAOYSA-N 324.449 4.009 0 40 DIAB Clc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13132076 MEYFTBIXXHZJJB-JKSUJKDBSA-N 310.788 4.078 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(F)cc1 14230036 NXYIHUUFTJXEPG-CQSZACIVSA-N 321.804 4.446 0 40 DIAB COc1ccc2c(CC(=O)Nc3ccc(C)cc3F)coc2c1 15575154 JDCMUVKMSCAIOO-UHFFFAOYSA-N 313.328 4.070 0 40 DIAB CCOc1ccc2c(c1)S/C(=C\c1ccsc1)C(=O)N2 16408212 OPYSDODXSSXDQV-AUWJEWJLSA-N 303.408 4.232 0 40 DIAB CCCCOc1ccc(NC(=O)c2cc(F)ccc2F)cc1 16639287 DJVGBDUQKAKMHP-UHFFFAOYSA-N 305.324 4.396 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20037954 OBHLQLRENPLITF-ZIAGYGMSSA-N 317.816 4.293 0 40 DIAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCCC1 27023722 FFGVSULMLLYDMD-UHFFFAOYSA-N 300.210 4.444 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 30047617 NJOSYEZKELLEEE-MRXNPFEDSA-N 300.446 4.111 0 40 DIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 32754739 GPDLSGWBYNRSJX-RKDXNWHRSA-N 323.717 4.330 0 40 DIAB Cc1cccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C 32931083 FNWADUJSPUGNQM-CYBMUJFWSA-N 319.351 4.396 0 40 DIAB O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cccnc1 61721609 UYVKONMWPVMHSX-UHFFFAOYSA-N 320.396 4.258 0 40 DIAB Cc1ccccc1C[S@@](=O)Cc1cccc(C(F)(F)F)c1 69740819 ZTPVYDRRYHXLOJ-OAQYLSRUSA-N 312.356 4.463 0 40 DIAB Cc1nnc([C@@H](C)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)o1 71902383 GKWQQQGPFMAPBR-NKWVEPMBSA-N 318.179 4.236 0 40 DIAB Cc1cccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)n1 72211107 BHJIIJDFXVZABR-SFHVURJKSA-N 310.397 4.254 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(Oc2ccccc2)o1 72264847 QFLFOVDOHANHLH-UHFFFAOYSA-N 311.312 4.141 0 40 DIAB CC(C)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 72273627 NRWUWVSFKMJBEQ-LJQANCHMSA-N 319.404 4.159 0 40 DIAB CC[C@H](c1ccccc1)[S@@](=O)Cc1cn2c(C)cccc2n1 95440961 JJIZLFSFXSABBK-VGOFRKELSA-N 312.438 4.043 0 40 DIAB O=C(O)c1oc2ccc(Cl)cc2c1OCc1ccccc1 96510839 PIHCHNJMBMYUGL-UHFFFAOYSA-N 302.713 4.363 0 40 DIAB Cc1nnc([C@H](C)Nc2ccc(-c3cccc(F)c3)c(F)c2)o1 97085794 UOZXDGKXZRHLMC-JTQLQIEISA-N 315.323 4.496 0 40 DIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999264 HYTKPAJFUFMASA-ADAWSYLGSA-N 310.441 4.041 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 109037789 HWKFAEVJPVTXFF-SNRMKQJTSA-N 315.457 4.054 0 40 DIAB O=C(NCC1=CCCCC1)c1ccccc1OCc1ccccc1 224273533 QMARFHOAGXGTIN-UHFFFAOYSA-N 321.420 4.496 0 40 DIAB CC[C@@H](C(=O)O)N(C)c1cc(Cl)ccc1Oc1ccccc1 225005021 YAIAPWGSJKXWMT-AWEZNQCLSA-N 319.788 4.432 0 40 DIAB Nc1ccc(NC2CCCCCCC2)c(C(=O)N2CCCC2)c1 225496509 UREDFWIWFBGHJM-UHFFFAOYSA-N 315.461 4.030 0 40 DIAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225712812 AYPDKVBSXQFSAW-BEFAXECRSA-N 319.445 4.398 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccccc1C 225756444 TUCGCQMWOSRSOG-KRWDZBQOSA-N 314.454 4.441 0 40 DIAB O=C(Nc1ccc2sncc2c1)c1conc1-c1ccccc1 225869596 DAHBDCHMEYTYAA-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Cc1ccc(N2CCOCC2)c(NCc2ccccc2Cl)c1 226240588 MAKBYRXPWGJKTL-UHFFFAOYSA-N 316.832 4.097 0 40 DIAB CC(C)(O)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1 257391952 BYQLYGRDILHOFF-CPLUKWAASA-N 318.457 4.321 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504232991 RLZHZYQEOVXLEK-CEXWTWQISA-N 323.392 4.293 0 40 DIAB O=C(N[C@H](c1ccsc1)c1cccs1)[C@H]1CC=CCC1 575414676 IJMGLNFIARXHNR-SWLSCSKDSA-N 303.452 4.372 0 40 DIAB CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C 117996 DEVCZLMVNZTDTN-WMZOPIPTSA-N 317.429 4.131 0 40 DIAB CN(C)C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 119252 SAGAIRJKEOBSIA-UHFFFAOYSA-N 322.380 4.447 0 40 DIAB COc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 196945 UFOHBESIQPABDK-UHFFFAOYSA-N 315.225 4.105 0 40 DIAB Cc1nc(NC(=O)c2cc(Cl)ccc2Cl)sc1C 579639 KZAZMHUTFOSMLX-UHFFFAOYSA-N 301.198 4.319 0 40 DIAB CCc1nnc2c3c(-c4ccc(F)cc4)c(C)sc3ncn12 1094909 VCKDMYOKQIPPDV-UHFFFAOYSA-N 312.373 4.016 0 40 DIAB CCN(CC)C(=O)c1ccccc1COc1ccc(F)cc1F 2729994 HZMDRGMCSJUTES-UHFFFAOYSA-N 319.351 4.026 0 40 DIAB Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)cc1 3063780 XQTSHTKBFWQZSN-UHFFFAOYSA-N 315.163 4.251 0 40 DIAB CN1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 4744324 CMARNPIDSNAMJM-ROUUACIJSA-N 301.817 4.150 0 40 DIAB in-man CCCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 4781693 YLXNTBMRJSVIBV-UHFFFAOYSA-N 319.408 4.217 0 40 DIAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(CC)ccc3o2)c1 4988453 HUSJFQWXAAKUHR-UHFFFAOYSA-N 324.380 4.420 0 40 DIAB O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(C(F)(F)F)c1 5568884 SZVLUONEASWAGO-QJPTWQEYSA-N 312.335 4.263 0 40 DIAB CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 5616931 GESQJYOSHDEKQO-HNNXBMFYSA-N 313.397 4.145 0 40 DIAB O=C(NCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 5944784 RESIGIIOWZMZFF-UHFFFAOYSA-N 303.833 4.173 0 40 DIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 6945912 AHFWBVULRZEALI-UHFFFAOYSA-N 305.736 4.081 0 40 DIAB Cc1cc(C)cc(NC(=S)NCCSc2ccccc2)c1 7500716 VUEJYQHURILAJH-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB c1ccc2c(-c3nn4c(C5CCCCC5)nnc4s3)c[nH]c2c1 9049777 BAAPVSMXDGHMLQ-UHFFFAOYSA-N 323.425 4.382 0 40 DIAB CN(C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2)c1ccccc1 9597934 YJSUHFPWIKGREK-ZDUSSCGKSA-N 312.413 4.102 0 40 DIAB Cc1cccnc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 12542674 AJVPZUHFTKUFMO-UHFFFAOYSA-N 322.389 4.263 0 40 DIAB Cc1cc(C)c2cc(C(=O)Nc3nnc(C(C)C)s3)[nH]c2c1 12822943 YDXZKDBRCDCIEE-UHFFFAOYSA-N 314.414 4.012 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 13932683 DHSZKBCUMDSSHZ-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 14255334 JWPSPELUUWCDKR-UHFFFAOYSA-N 303.427 4.057 0 40 DIAB COc1ccc2oc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)c2c1 15880483 JPWZWYMGEIJIKW-UHFFFAOYSA-N 323.348 4.205 0 40 DIAB biogenic CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1 21786628 LDFDWIMVHWZJJO-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Cc1nc(Oc2cccnc2)c2c3c(sc2n1)C[C@@H](C)CC3 21937710 XANCBBNKHVTCNF-JTQLQIEISA-N 311.410 4.312 0 40 DIAB CC(=O)c1cccc(NC(=O)CCc2ccc(C)c(Cl)c2)c1 24689879 AVCYHGFBFPDSIU-UHFFFAOYSA-N 315.800 4.422 0 40 DIAB O=C(COc1ccccc1)N[C@@H](c1cccs1)C1CCCC1 32398336 KWNJCERUEIJMDT-GOSISDBHSA-N 315.438 4.175 0 40 DIAB CC(C)c1ccc(-c2cn3nc(Br)sc3n2)cc1 37353251 GETMXNHPQXHAIB-UHFFFAOYSA-N 322.231 4.344 0 40 DIAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1 43879417 ZPIWCRNJAWHXTF-GXFFZTMASA-N 314.303 4.169 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1nccc2ccccc12 58366661 VAPZWQTXSLFHCD-GFCCVEGCSA-N 308.406 4.056 0 40 DIAB CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(OCC)c1 62170287 CGILOQVICKIDLT-UHFFFAOYSA-N 314.381 4.149 0 40 DIAB CC(C)c1nnc(CNC(C)(C)c2ccc(F)cc2Cl)o1 71907864 XVCYLTHWJWWJAC-UHFFFAOYSA-N 311.788 4.010 0 40 DIAB CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216124 SSJUQJGJGIFECR-GOSISDBHSA-N 301.478 4.255 0 40 DIAB CC(=O)c1c[nH]c(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 83815630 YRQBLXKOXFNUKT-QGZVFWFLSA-N 312.413 4.125 0 40 DIAB Cc1nc(N)sc1-c1ccnc(C2(C(F)(F)F)CCC2)c1 95629718 HKHLFUDDSOUCIZ-UHFFFAOYSA-N 313.348 4.080 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)c3c(C)noc3C)s2)o1 97081367 DEYAFLDPDIESGO-UHFFFAOYSA-N 316.382 4.198 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 113959974 RUBCKWOJMOKQJD-LPHOPBHVSA-N 323.436 4.265 0 40 DIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]32)C1 118926294 GTOPOWFQBKMBIX-XPZISPLRSA-N 306.490 4.405 0 40 DIAB CCCC[Sn](CN)(CCCC)CCCC 195805886 SYKYWNLSMURNCQ-UHFFFAOYSA-N 320.109 4.333 0 40 DIAB Cc1ccc(C)c(NC(=O)c2snnc2-c2cccs2)c1 225787716 YJODSJFSTZDVKU-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB Cc1ccc(C[C@@H](N[C@H]2CC[C@H](O)CC2)c2ccc(C)cc2)cc1 560909613 OUNMSBXGIKVOKJ-YPAWHYETSA-N 323.480 4.480 0 40 DIAB CC(C)(C)c1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1 28025 YSYKRUMSZLHQRC-RVDMUPIBSA-N 311.406 4.390 0 40 DIAB COc1ccc(C=O)cc1COc1cc(Cl)ccc1Cl 35760 ZHERVYLKQNRJCC-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB CCC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 517215 XPZHHBKQVGOLSX-VLIAUNLRSA-N 310.441 4.368 0 40 DIAB biogenic CC(=O)[C@H](Cc1ccc(Cl)cc1)Cc1ncc(Cl)s1 1403853 AVQYOAVTGFFBFF-LLVKDONJSA-N 314.237 4.440 0 40 DIAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2)cs1 2674868 AXNIMLNRMYYPFO-BQYQJAHWSA-N 314.341 4.194 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2ncsc2c1 3318133 WOYKBUZHOHTEJZ-OAHLLOKOSA-N 308.406 4.104 0 40 DIAB C[C@@]12CC[C@H](O)[C@]1(C)CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 3843839 DQOPJSFDWXFQLN-DSWGTCOTSA-N 304.474 4.061 0 40 DIAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 4181461 BPPQKLJFOVTILG-UHFFFAOYSA-N 322.474 4.025 0 40 DIAB Cc1cc2nc3n(c2cc1C)[C@@H](O)C=C(c1ccccc1)S3 4502757 XXZIBERAAKONHZ-KRWDZBQOSA-N 308.406 4.291 0 40 DIAB CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(C=O)cc12 5000280 XAUFXPZCLGDYKV-UHFFFAOYSA-N 313.788 4.184 0 40 DIAB CSCCCNC(=S)Nc1ccccc1-c1ccccc1 5934790 USQLSAQRUVGSRX-UHFFFAOYSA-N 316.495 4.393 0 40 DIAB CCNC(=S)Nc1cc(Cl)ccc1N1CCCCCC1 6822270 ICZBHDHIEVTMSG-UHFFFAOYSA-N 311.882 4.027 0 40 DIAB CCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 7261322 ZSTMDMXOUJUJEI-UHFFFAOYSA-N 315.413 4.403 0 40 DIAB Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 8295963 UNJMATAODPRTCW-UHFFFAOYSA-N 320.417 4.304 0 40 DIAB CC[C@H](C)NCc1cccc(OC)c1OCc1ccc(F)cc1 8326778 LHFSZGIZFVMGJY-AWEZNQCLSA-N 317.404 4.301 0 40 DIAB Cc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)n1 12509047 OLDIGIWLAVOXPY-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccn1 12927875 ZAMRMGFLEGEUBW-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 13646257 IRHBANHTVHINSD-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB C[C@H]1CCN(C(=O)NC2CCCCC2)c2ccccc2S1 14122764 TZOXGXRUXIIGQJ-ZDUSSCGKSA-N 304.459 4.420 0 40 DIAB O=C(NCc1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl 15515047 TWLMMDXFTKUBOJ-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 19933915 CRBQQJVBVJVQPC-UHFFFAOYSA-N 322.452 4.479 0 40 DIAB C[C@H](NC(=O)CCc1cccnc1)c1cccc2ccccc12 23433835 IJIHDBYWVXRZCS-HNNXBMFYSA-N 304.393 4.045 0 40 DIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)cc1)CC3 25543186 DLSOFOYDWAZNDU-UHFFFAOYSA-N 324.811 4.328 0 40 DIAB CCCn1nc(C)cc1NC(=O)C1CCC(C(C)(C)C)CC1 28305714 FUESDBHYGZKKIL-UHFFFAOYSA-N 305.466 4.393 0 40 DIAB COCc1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 29144138 YOIHXLCEEIGCHW-MDZDMXLPSA-N 301.773 4.138 0 40 DIAB Cc1cccc(-c2nc(CSc3nc4ccccc4o3)no2)c1 32321876 QZBANLIKNXXDCL-UHFFFAOYSA-N 323.377 4.479 0 40 DIAB C[C@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 32764862 FQIBKMKEZUZHJW-MRXNPFEDSA-N 308.425 4.098 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 33191576 RMHDVJVNZPZBIO-IGLBNKAOSA-N 321.829 4.301 0 40 DIAB Cc1ccccc1CNC(=O)c1[nH]c2ccc(F)cc2c1Cl 40145080 IHKWNOXZTKKCSI-UHFFFAOYSA-N 316.763 4.199 0 40 DIAB Cc1ccc(NCc2ccc(O)c(Br)c2)c(C)c1 57997922 OOQCHEQWJLCPTJ-UHFFFAOYSA-N 306.203 4.384 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 65152737 SBPXLCHCGXUADI-UHFFFAOYSA-N 321.380 4.286 0 40 DIAB COCc1ccc(C(=O)Nc2ccc(F)cc2-n2cccc2)cc1 95467826 XAJWFRTUHKBKII-UHFFFAOYSA-N 324.355 4.015 0 40 DIAB c1cncc(-c2ccc(CNc3cccc(-c4nnco4)c3)o2)c1 95971912 QLTHSAQPJNIMQM-UHFFFAOYSA-N 318.336 4.004 0 40 DIAB O=C(OCc1ccccc1Cl)c1csc([C@@H]2CCCO2)n1 95975285 GLQMWPZBQVGUJS-ZDUSSCGKSA-N 323.801 4.005 0 40 DIAB CC1(C)CCc2cc3c(O)c(-c4ccccc4)c(=O)oc3cc2O1 104187401 KEEUVUWDHBCBMX-UHFFFAOYSA-N 322.360 4.269 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 223000143 VFCZELFNLJHSAG-HNNXBMFYSA-N 323.436 4.373 0 40 DIAB Cc1ccc(C)c(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225028053 CNJHFRRCTFXPJD-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB COc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 225306316 HLQFBPKLOZNZEV-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1 225719447 DEWOYJKRRRUIJL-UHFFFAOYSA-N 305.418 4.009 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2[C@H](O)CO 257346097 QUQBOXYLXZAONE-YISTTZDESA-N 320.517 4.389 0 40 DIAB CC(C)c1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409080568 IPNAUFIPLYJYQU-ATVHPVEESA-N 312.413 4.035 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCc2ccccc2)cc1C 409114046 IDBUFYSHCNMCNH-UHFFFAOYSA-N 309.438 4.485 0 40 DIAB Cc1ccc2c(c1)CCN2C(=O)COc1ccc(C(C)C)c(C)c1 1543906730 STDHPDQNJBXPHB-UHFFFAOYSA-N 323.436 4.395 0 40 DIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2ccccc2c1 335830 MXPQZLLZPPVBMB-UHFFFAOYSA-N 317.797 4.294 0 40 DIAB O=C(NC1CCCC1)c1ccc(Nc2ccccc2Cl)nc1 1340985 URZHRKFYEPSTCW-UHFFFAOYSA-N 315.804 4.151 0 40 DIAB Cc1ccccc1C(=O)Nc1ccccc1-c1ccccc1N 1558570 FUJZGNIPLBFTDE-UHFFFAOYSA-N 302.377 4.497 0 40 DIAB Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccccc1 3133798 ILRMLTMTUHZVIO-UHFFFAOYSA-N 318.298 4.160 0 40 DIAB Cc1ccc(CN[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 3347350 YJHJDBRUZNLUAB-MRXNPFEDSA-N 318.420 4.265 0 40 DIAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1cccc(C)c1 4163619 WLSFDZVYGWDDBD-UHFFFAOYSA-N 320.392 4.021 0 40 DIAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 4306607 NHQSOXOEHORKFB-MRXNPFEDSA-N 320.348 4.173 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c1 4600303 UGOJPJSLRWCFKP-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB C[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1 5427041 RJKAOMUFKJROLZ-OAHLLOKOSA-N 306.409 4.005 0 40 DIAB CCc1ccc(NC(=O)COc2cccc3ccc(C)nc23)cc1 5468630 BOQJNQJKWGMICG-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB CNC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 6579668 UCHRKHHCJONPSV-UHFFFAOYSA-N 322.433 4.074 0 40 DIAB COc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6954833 VADHUCMUCUAHJT-LXIYXOSZSA-N 321.376 4.220 0 40 DIAB O=C1CC2(CCCCC2)C(=O)N1Cc1cccc2ccccc12 7046768 LMLICTLUWJNPLX-UHFFFAOYSA-N 307.393 4.049 0 40 DIAB Cc1cc2nc(Oc3ccc4c(c3)CCC4)c3ccccc3n2n1 7737835 LFYBKHSFIPJASL-UHFFFAOYSA-N 315.376 4.472 0 40 DIAB C[C@H](C(=O)NC1CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419441 QTRJKFJXPLWEGN-JTQLQIEISA-N 312.800 4.357 0 40 DIAB Cc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1Cl 10923377 IEPZHSCHRBJRON-SNAWJCMRSA-N 317.841 4.308 0 40 DIAB CCc1c(-c2ccc(OC)cc2)n[nH]c1-c1ccc(OC)cc1 12357681 YZDVXKHMHUMZRX-UHFFFAOYSA-N 308.381 4.323 0 40 DIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 12617334 RXDCUSXGFGVFQP-NWDGAFQWSA-N 324.346 4.013 0 40 DIAB Cc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 12618360 ONCBGEGCZKKNCS-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1F)C1CC1 14014685 IUUXRTAXBOLXPC-UHFFFAOYSA-N 322.383 4.041 0 40 DIAB O=C(NCCSCc1ccccc1)Nc1cccc(Cl)c1 14155753 SIJPNPVACPPFSJ-UHFFFAOYSA-N 320.845 4.395 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 14716826 OULKJLLVMHCPLP-QJPTWQEYSA-N 323.820 4.122 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(N)cc2)c1 17025090 JSCMKUJKOLIUDT-CYBMUJFWSA-N 300.427 4.005 0 40 DIAB O=C(NCCc1cccs1)c1cc(Cl)cc(Cl)c1 17909543 YTNOEAOJDXEOAF-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB c1ccc([C@H]2C[C@@H]3c4ccccc4OC4(CCCC4)N3N2)cc1 19171724 XYMAJJUMIAREDB-QZTJIDSGSA-N 306.409 4.342 0 40 DIAB C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 21986297 GCKMFJBGXUYNAG-RABCQHRBSA-N 302.458 4.269 0 40 DIAB O=C(CSCc1cccc(F)c1)Nc1ccccc1Cl 23413759 CAVGXKKYGLTHNN-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1 24843031 ZOYWGWUEUOPZAU-CYBMUJFWSA-N 323.396 4.192 0 40 DIAB Cc1cccc(COc2cccc(C(=O)NC3CCCC3)c2)c1 25320203 LJEFUSKKQYVOEJ-UHFFFAOYSA-N 309.409 4.246 0 40 DIAB Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3Cl)c2)cs1 29629325 YKKABXUEOHOMHQ-UHFFFAOYSA-N 317.801 4.352 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c1 32754170 CGWPNEOSEIGFNJ-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)Nc2nc3ccccc3s2)c1 40067599 UTCNQCZZHWYLDF-LLVKDONJSA-N 311.410 4.428 0 40 DIAB O=C(NCCCn1cccc1)c1ccccc1Oc1ccccc1 49028452 SEWDJBAGVPQPLC-UHFFFAOYSA-N 320.392 4.101 0 40 DIAB CSCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 58162805 JFAYUFDHEIMGRP-CYBMUJFWSA-N 300.427 4.161 0 40 DIAB Cc1cc([C@H]2CCCN2C(=O)c2cccc3ccccc23)no1 69892784 VHHTWEVVISUHHN-GOSISDBHSA-N 306.365 4.114 0 40 DIAB Cc1cc(CNC(=O)C2(c3cccs3)CCCC2)c(C)o1 70640391 PWRKXIRBSZWDFS-UHFFFAOYSA-N 303.427 4.086 0 40 DIAB Cc1cc(Oc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223151 SNRVPKQIFCBXDU-UHFFFAOYSA-N 314.385 4.207 0 40 DIAB CCO[C@H](C)c1noc(CNc2ccc3c4c(cccc24)CC3)n1 76700371 GVDUEYIERKSBQS-GFCCVEGCSA-N 323.396 4.031 0 40 DIAB Cc1ccc([C@@H](c2ccccn2)N(C)Cc2cccnc2)cc1 95431940 GMLAAMYRMIRJMU-FQEVSTJZSA-N 303.409 4.006 0 40 DIAB COCc1ccc(CNc2ccc(Cl)c(NC(C)=O)c2)cc1 95447302 AKWLSBWSBSTRNS-UHFFFAOYSA-N 318.804 4.057 0 40 DIAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1CCCC1=C1CCC[C@@H]12 100548612 QDUOONWQMKZMFZ-CAMMJAKZSA-N 321.420 4.011 0 40 DIAB CC(C)(C)c1ccc(OC(=O)NC(=S)c2ccccc2)cc1 107549633 SCAHFBWMGCPKGK-UHFFFAOYSA-N 313.422 4.448 0 40 DIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 108924810 HYTKPAJFUFMASA-YRBFXIGRSA-N 310.441 4.041 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NCCSC(C)(C)C)c1 223113652 MTVJQKZMXIYSAI-UHFFFAOYSA-N 323.502 4.145 0 40 DIAB CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1 223743880 GOLHDHHMBBWSIV-UHFFFAOYSA-N 317.816 4.272 0 40 DIAB Cc1ccc(C)c(OCCNC(=O)Nc2cccc(Cl)c2)c1 224041197 SHRHXAJBXMUDLY-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB Cc1nc2ccc(NC(=S)N3CCC(C)CC3)cc2s1 408978842 NNWQUUGPICFIQK-UHFFFAOYSA-N 305.472 4.033 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(SC(F)(F)F)cc1 575360426 CVIRBNAWLAUWQX-UHFFFAOYSA-N 320.332 4.215 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C 362564 IBCYLJFQEYALEC-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB CC(C)Cn1c(-c2ccccc2F)nc2nc3ccccc3nc21 543316 BIQHANWUWZNKQY-UHFFFAOYSA-N 320.371 4.442 0 40 DIAB CCC(=O)[C@@H](C)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1 2074649 PGMKJVNNBZNCIM-BEFAXECRSA-N 309.409 4.115 0 40 DIAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(N=O)c2ccccc21 4616590 TVSOZIYRALRJMJ-ACJLOTCBSA-N 309.369 4.061 0 40 DIAB CC(C)[C@H](C(=O)NCc1cccs1)c1ccc(Cl)cc1 5419137 PIRPBLJNSOUWDK-HNNXBMFYSA-N 307.846 4.458 0 40 DIAB Cc1nnc(SCn2c(=S)sc3ccccc32)s1 5740689 ZOXQJJDCKDNMPG-UHFFFAOYSA-N 311.482 4.342 0 40 DIAB CCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7261321 DVZDMICZSJKMML-UHFFFAOYSA-N 301.386 4.013 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1C 7977047 MRODCDRKVWWJQJ-UHFFFAOYSA-N 305.377 4.087 0 40 DIAB Cc1ccccc1-c1noc(-c2cc(-c3ccccc3)n[nH]2)n1 11024009 YYZVONAIWRYRNB-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1F 12830208 HVALMACQNFDCDR-UHFFFAOYSA-N 324.808 4.457 0 40 DIAB CCCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 12920462 PKNXSIVLRXFYSB-FZMZJTMJSA-N 316.426 4.193 0 40 DIAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OC 14427934 PCZWKXDAYAJWPN-UHFFFAOYSA-N 313.397 4.217 0 40 DIAB Cc1cccc(OCC(=O)Nc2ccc(F)cc2Cl)c1C 15009715 VVABGYSSQIMNIC-UHFFFAOYSA-N 307.752 4.113 0 40 DIAB Cc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 15017863 HLHSUYGNFWKKRE-AWEZNQCLSA-N 316.198 4.036 0 40 DIAB COc1ccccc1O[C@@H](C)CNc1cccc(OC(C)C)c1 19737503 RCXKEZUXLQAROD-HNNXBMFYSA-N 315.413 4.362 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NCc2ccc(Cl)s2)c1 20012746 QGLFSGWMWNENAR-SNVBAGLBSA-N 308.834 4.211 0 40 DIAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1 20914225 PXKJRBPXLOATIM-UHFFFAOYSA-N 313.372 4.298 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(-c3ccco3)n2)c(C)c1 24249973 DRCHDALPGFOCGM-UHFFFAOYSA-N 312.394 4.201 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1ccccc1F 25107708 RTNNOTWCVJOTCW-FNDVETGQSA-N 313.372 4.067 0 40 DIAB COc1cc(F)ccc1NC(=O)c1cc2cc(C)ccc2nc1C 25797401 ODYPMCQUUHRUGS-UHFFFAOYSA-N 324.355 4.252 0 40 DIAB CCCCc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 32649385 DFAPALNENXDSSX-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB Fc1ccc(CNc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 36613427 YFBGBLSGYGXSST-UHFFFAOYSA-N 311.282 4.124 0 40 DIAB Cc1cc(CS[C@H](C)C(=O)Nc2cccc(Cl)c2C)no1 40511812 FREKCQVSFKRQSE-LLVKDONJSA-N 324.833 4.205 0 40 DIAB CSc1ccc(NC(=O)c2cccc(-n3ccc(C)n3)c2)cc1 48302171 QEWVELVYXMGARB-UHFFFAOYSA-N 323.421 4.155 0 40 DIAB CC(C)(C)[C@@H](NC(=O)NCc1ccccc1F)c1cccs1 48333037 CELUIDYBAYTJJA-HNNXBMFYSA-N 320.433 4.474 0 40 DIAB CC(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1 71902620 BPNGBSFPBPIMIM-LLVKDONJSA-N 304.340 4.121 0 40 DIAB CCCNc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72213170 MSQLVEZZFXNOMP-SFHVURJKSA-N 323.440 4.271 0 40 DIAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 72333095 DVUVOAKMPNVVAS-MSOLQXFVSA-N 322.387 4.180 0 40 DIAB c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193775 YZXFQPMZGIWXHD-UHFFFAOYSA-N 318.361 4.266 0 40 DIAB CCn1nc(C)cc1C(=O)N(c1ccc(F)cc1Cl)C(C)C 96410982 VOMRIQXNRGWRKQ-UHFFFAOYSA-N 323.799 4.059 0 40 DIAB Cc1ccc([C@@H](CN[C@@H](C)CSC(C)(C)C)N2CCCC2)o1 97016739 GQVIHCFILKMKMY-GOEBONIOSA-N 324.534 4.235 0 40 DIAB C[C@H](NCc1nc2ccccc2o1)c1ncc(-c2ccccc2)o1 97112334 YTRYNVMCWASWLY-ZDUSSCGKSA-N 319.364 4.334 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(F)cc2F)cc1 113969461 GREXUDNBPSPXOJ-KRWDZBQOSA-N 319.351 4.323 0 40 DIAB O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CCC2)n[nH]1 165471719 AGVIDDQHAQSPIZ-UHFFFAOYSA-N 305.381 4.012 0 40 DIAB CCc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc1 216720338 XCVUHDSCNGLTDT-UHFFFAOYSA-N 321.376 4.044 0 40 DIAB C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1[Si](C)(C)C 219793521 GHTGYOGNEFEWPU-GFCCVEGCSA-N 316.448 4.226 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 224609530 KVVSIBQOJKAQNF-SJORKVTESA-N 305.462 4.403 0 40 DIAB Cc1ccccc1O[C@H](Cc1cccc2ccccc12)C(=O)O 225047671 MEAHNSKBGPVNOR-LJQANCHMSA-N 306.361 4.223 0 40 DIAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3)nc2c1 226269206 DITVSRHRYDTKEJ-UHFFFAOYSA-N 320.270 4.020 0 40 DIAB Clc1cc(I)c2nc(Cl)ccc2c1 232223813 MSEZUINRZHBNQD-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)s1 260788316 YRFNEPXNVNFBJU-BYCMXARLSA-N 315.467 4.041 0 40 DIAB CC(C)Oc1cccc(NC(=O)CSCc2ccccc2)c1 408573381 DEAOGRPRQMUDJP-UHFFFAOYSA-N 315.438 4.346 0 40 DIAB CCc1nc(CN(C)Cc2cc(C)c3ncccc3c2)cs1 543395046 VCBIFRZFDYWQHC-UHFFFAOYSA-N 311.454 4.194 0 40 DIAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)O)c2c1Br 1857793907 UAKSZUUJKDQIHG-UHFFFAOYSA-N 320.186 4.190 0 40 DIAB CSc1nsc(SC)c1C(=O)Nc1ccc(C)cc1 51241 PJQCRNVPULKJLV-UHFFFAOYSA-N 310.469 4.148 0 40 DIAB COc1ccc2c(C)c(-c3cccc(Cl)c3)c(=O)oc2c1 58002 NQFRPYNDAGZTSF-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic O=C(O)[C@H](Sc1nccc(-c2ccccc2)n1)c1ccccc1 155553 SVIMTPGKDJEWJJ-MRXNPFEDSA-N 322.389 4.062 0 40 DIAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 1456462 WCQBLWHXLCSILD-UHFFFAOYSA-N 307.437 4.398 0 40 DIAB CC[C@H](c1ccc(OC)cc1)[C@@](O)(CC)c1ccc(OC)cc1 1640780 SVTHZCYFDSJXPQ-WOJBJXKFSA-N 314.425 4.495 0 40 DIAB Cc1cc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)ccc1Cl 4734893 MJVVIQWOTSANLF-SNVBAGLBSA-N 324.833 4.128 0 40 DIAB Cc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c(C)c1 5034398 VAFKPMLEYYFEAD-CSKARUKUSA-N 305.377 4.274 0 40 DIAB Cc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1C 5054963 XRGOEDKKOYQHHR-UHFFFAOYSA-N 324.384 4.276 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccccc1 5111760 QRJDUINNJXAQBB-INIZCTEOSA-N 319.404 4.266 0 40 DIAB CCCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12 5347191 AIAWTOMKFBXBFV-UHFFFAOYSA-N 324.428 4.234 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1Cl 5637047 PHCAGDHGOPKXPE-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CCc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)cc1 6811290 KHDIQQYZDPKQAH-UHFFFAOYSA-N 321.376 4.170 0 40 DIAB C[C@@H](CC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 6832116 YIGLPRDJXCLOLV-ZDUSSCGKSA-N 323.421 4.337 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 7294669 MIZKCIZWSZFSBL-NSHDSACASA-N 321.829 4.468 0 40 DIAB Cc1ccc(NC(=S)NCc2ccccc2F)cc1Cl 7642714 RFQLAUHXZDQOKL-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB COc1ccccc1NC(=O)Nc1ccc2nc(C)sc2c1 7738008 CRWSWKBXLIAFLE-UHFFFAOYSA-N 313.382 4.257 0 40 DIAB C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 8199595 MVAKTKIXOXJJAM-GFCCVEGCSA-N 313.788 4.241 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 8345687 OZICIDWXWKIPPP-UHFFFAOYSA-N 312.413 4.184 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1cc2nc(C)ccc2o1 8798720 HODKHMKMVDZJOA-UHFFFAOYSA-N 316.744 4.051 0 40 DIAB CCc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 10330345 TXDOQHYAOJJBJY-UHFFFAOYSA-N 308.425 4.097 0 40 DIAB Cc1ccc([C@@H](NC(=O)NC2CCCC2)c2cccs2)cc1 12947259 QQRMYIHTXZQSQI-QGZVFWFLSA-N 314.454 4.388 0 40 DIAB O=C(Nc1ccccc1O)c1cc2c(s1)-c1ccccc1OC2 14171748 IKCFGPCCEIVWCX-UHFFFAOYSA-N 323.373 4.265 0 40 DIAB Cc1cccc(C)c1NC(=O)CNc1ccc(C(F)(F)F)cc1 15122964 RFLAQHAUBQHJPU-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(C)cc1 16317353 ARQVYAHHFUIGJA-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 24958722 AVXVVTIZXNIKQV-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 40097597 HILCABCLCRLHLY-UHFFFAOYSA-N 308.303 4.158 0 40 DIAB CCCOc1c(Cl)cc(C(=O)NC(C)(C)C)cc1OCC 40159986 DYZIVRSZEQTREA-UHFFFAOYSA-N 313.825 4.056 0 40 DIAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 43879420 XQKZBVGBIMPIMD-WCQYABFASA-N 314.303 4.169 0 40 DIAB CC(C)(C)NC(=S)Nc1ccc(OCc2ccccc2)cc1 54921930 GNWNKXKGKZKXIB-UHFFFAOYSA-N 314.454 4.351 0 40 DIAB FC(F)(F)Cn1ccnc1/C=C/c1nc2ccccc2s1 68274263 VWVYHTYJFXTGHX-AATRIKPKSA-N 309.316 4.226 0 40 DIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1c(Cl)cccc1Cl 95096028 MWYWTGGYPQDKOB-LHLIQPBNSA-N 301.091 4.012 0 40 DIAB Cc1ccc(-c2cccc(CN3CCC[C@@H]([C@@H](C)O)C3)c2)cc1 96003587 RYPDREVQBFRYQL-DYESRHJHSA-N 309.453 4.255 0 40 DIAB COCCCCC(=O)N(c1ccc(F)cc1Cl)C(C)C 96410983 HSSMYKMNRRDBLB-UHFFFAOYSA-N 301.789 4.037 0 40 DIAB CO[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1Cl 121743893 WYIQHXUGXZNJQK-HNNXBMFYSA-N 324.207 4.111 0 40 DIAB Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)s1 195558999 ORIUWJYEQHSIMP-LJQANCHMSA-N 313.875 4.201 0 40 DIAB CCOc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 195559835 KJBNFSOBKCEDIY-SIXWZSSISA-N 301.430 4.030 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCc1ccc(OC)c(C)c1 225117043 QAWPCWKICWYXOG-MRXNPFEDSA-N 305.462 4.269 0 40 DIAB CNc1ccc(NC(=O)c2cc3ccccc3o2)c(Cl)c1 226285776 DJVBQUAKOYWCAV-UHFFFAOYSA-N 300.745 4.380 0 40 DIAB CSCCC(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358431 UVAGMLWRFOBNJR-UHFFFAOYSA-N 322.376 4.480 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 131148 UJTTURSETHYRHL-AWNIVKPZSA-N 324.399 4.468 0 40 DIAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 177110 CWWQHPFRIILYJC-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C1c2ccccc2N[C@H](c2ccco2)N1c1ccc(F)cc1 2745297 LXRXJADOPPOVEO-KRWDZBQOSA-N 308.312 4.190 0 40 DIAB CCCCCc1nnc(NC(=O)c2ccc(Cl)cc2)s1 3154222 KQFYGDTZLJPLKI-UHFFFAOYSA-N 309.822 4.177 0 40 DIAB COc1ccccc1CNC(=O)c1cc(SC)ccc1Cl 3614975 IKSUZJCNWTZTSA-UHFFFAOYSA-N 321.829 4.001 0 40 DIAB CC(=O)OCCCC[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4027088 RTYPTTJEBODVCN-XWSJACJDSA-N 306.446 4.404 0 40 DIAB biogenic Cc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 6658565 SEAKABLFYTYIPT-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB CCc1cccc(C)c1NC(=O)c1ccccc1OC(F)F 7653043 FNCDAZKRXWTHGQ-UHFFFAOYSA-N 305.324 4.411 0 40 DIAB c1ccc(C(NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 7780869 HOFSNDOHJBLLRF-UHFFFAOYSA-N 317.388 4.295 0 40 DIAB Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(O)c1 9154543 SJRUKUGLMNQAND-UHFFFAOYSA-N 320.392 4.047 0 40 DIAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(C)C)cc1 12773476 XMBPJHUJKXJQHW-LJQANCHMSA-N 324.424 4.023 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1cccc(Cl)c1Cl 12803844 FYUBSANSUPAKSA-UHFFFAOYSA-N 313.209 4.191 0 40 DIAB Cc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)s1 12854061 YOWFCXRQGPKXOT-LBPRGKRZSA-N 307.415 4.163 0 40 DIAB Brc1cccc(CN2C=C[C@H](c3ccccc3)O2)c1 12959702 YTKUIVXCANZHMN-MRXNPFEDSA-N 316.198 4.451 0 40 DIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1F 12973172 ZBFJTFQQUWQGHJ-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB CCOc1cccc(NC(=O)c2ccc(Br)cc2)c1 13673805 FWWXBXBOSVMZBO-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB CC(C)c1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 13878978 BUTKNTYVLIJWGY-ZIAGYGMSSA-N 305.491 4.274 0 40 DIAB C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(F)cc1 16316024 XWSVWPIJNYJYFB-SECBINFHSA-N 310.344 4.152 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1 20112302 YBSJQEJJQIODDH-INIZCTEOSA-N 303.789 4.445 0 40 DIAB Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 20220993 ZYFQEUQRNQIYDY-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2ccccc2)CC3=O)c1 20632854 HFMGPDNQMZAZJS-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1(C)C 23763307 YAUAFGPTXQMMON-BXUZGUMPSA-N 315.442 4.315 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(F)cc1 24367264 LHHYOTPHIPGECI-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB Cc1cc2occ(CC(=O)Nc3cccnc3)c2cc1C(C)C 28875243 WVUTXVHXVMJPHN-UHFFFAOYSA-N 308.381 4.441 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 36562705 ULMVJVBENWRWSY-DYVFJYSZSA-N 317.816 4.375 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1 36625223 OJCQCZMTODZLLP-AWEZNQCLSA-N 301.817 4.458 0 40 DIAB O=C(c1c(F)c(F)c(F)c(F)c1F)c1cncc2ccccc12 45028934 XRWMWRAGWCCQDH-UHFFFAOYSA-N 323.220 4.161 0 40 DIAB CCn1c([C@H]2CCCN2CCC(F)(F)F)nc2ccccc21 84131110 VJJZFBMILURQSH-CQSZACIVSA-N 311.351 4.146 0 40 DIAB O=C(O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695621 YOMQTZPAPAEBLI-UHFFFAOYSA-N 301.651 4.119 0 40 DIAB COc1cccc(/C=C/CCS[C@H](C)c2nnc(C)o2)c1 95412933 ORVJOUHCZNTLRW-RPTYSRGTSA-N 304.415 4.284 0 40 DIAB CO[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912574 YQVNELYVHGIKRR-HSXTZPDUSA-N 304.474 4.325 0 40 DIAB CCc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225043829 FDQGKNBGFNXYPB-FQEVSTJZSA-N 320.388 4.477 0 40 DIAB CCCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 225470572 SLWXQWGNCBRGMO-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225731656 JDTRQPPXCPMFNG-GOSISDBHSA-N 307.434 4.316 0 40 DIAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409022546 RKUKTATXMCYTGS-XBUHWIKASA-N 319.426 4.309 0 40 DIAB O=C(O)c1ccc(NC(=O)c2ccc(C3CCCCC3)o2)cc1 409205018 NFBWZYWMSTZFEB-UHFFFAOYSA-N 313.353 4.278 0 40 DIAB O=C(CSc1ccc(Cl)cc1)Nc1c(F)cccc1F 138504 GLKKKSSJQKPIDE-UHFFFAOYSA-N 313.756 4.349 0 40 DIAB O=C(c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 364414 YLTUKPRDPTVIHE-UHFFFAOYSA-N 307.393 4.436 0 40 DIAB COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 1518397 HNWJZJHWUTZIJQ-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CC(C)C[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2344549 VZUIUTWVGFSQKE-NWDGAFQWSA-N 311.809 4.052 0 40 DIAB C[C@H](O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2557258 AGHPIIDSYAFAJL-CZKDGEGMSA-N 316.485 4.227 0 40 DIAB COc1ccc(CN(C)Cn2c(=S)oc3ccccc32)cc1 2633601 CJMUGHJFJHKABF-UHFFFAOYSA-N 314.410 4.062 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 3566795 GOHHACBZRUJNRP-XCVCLJGOSA-N 309.262 4.496 0 40 DIAB O=C(Sc1ccc(C(F)(F)F)cn1)c1ccc(Cl)nc1 4280879 GDFANTLPHSXRES-UHFFFAOYSA-N 318.707 4.081 0 40 DIAB COc1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1O 6170678 NCVSTHGXDOIZNP-XVNBXDOJSA-N 301.729 4.366 0 40 DIAB Cc1cc2oc(C(=O)Nc3c(C)cccc3C)cc(=O)c2cc1C 6811390 JPEWGNQIRSSYTR-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)s2)c(C)c1 6820292 ZNTUJFMARZYRRY-UHFFFAOYSA-N 315.847 4.128 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8041527 HFAHELDKRYDORX-OAHLLOKOSA-N 317.360 4.021 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(SC)c1 8048903 MDAMRMLVNBMNSD-OAHLLOKOSA-N 319.401 4.344 0 40 DIAB Cc1ccccc1CN(C)C(=O)CCc1nc2ccccc2s1 8240793 UJRIKWRIKODUEY-UHFFFAOYSA-N 324.449 4.196 0 40 DIAB Cc1ccc(NC(=O)Cc2ccsc2)c(Br)c1 8491595 ABAKXZIEGYWPFE-UHFFFAOYSA-N 310.216 4.000 0 40 DIAB Cc1nc2c(C)cc(Cl)cc2c(O)c1CN1CCC[C@@H](C)C1 8717236 LPQUMQQVSVZBHI-LLVKDONJSA-N 318.848 4.443 0 40 DIAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccco1 8725923 UBFKCPPIAVBOEC-UHFFFAOYSA-N 321.380 4.070 0 40 DIAB Cc1nc(-c2nc(N(C)C)ncc2-c2ccsc2)sc1C 12751301 SNNSGWXQJXWEEL-UHFFFAOYSA-N 316.455 4.011 0 40 DIAB CCOc1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 16181615 RXACQNIMPRXKAI-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB O=C(Nc1cccc(Br)c1)Nc1ccccc1F 16450388 CWOSVCGBDZHFCF-UHFFFAOYSA-N 309.138 4.232 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 20112003 MJFVTAUYCLLVRV-WOJBJXKFSA-N 323.436 4.346 0 40 DIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1C 20137411 ZJPSXSAMPNVDKC-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)cc1 20480965 KBYSWCCOZSEIKV-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB COCc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 21006757 WODCJFPNKSPENM-UHFFFAOYSA-N 313.397 4.088 0 40 DIAB COc1ccc(C)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 21364292 OJFNJOSRUZOYSI-AWEZNQCLSA-N 322.408 4.477 0 40 DIAB Cc1ccc(S(=O)(=O)c2csc(-c3cccs3)n2)cc1 27562122 OKJDXBYLCRXMBI-UHFFFAOYSA-N 321.448 4.013 0 40 DIAB Cc1cc(NC(=O)CCC2CCCC2)n(Cc2ccccc2)n1 28220071 FFQOIFFWSYYGPS-UHFFFAOYSA-N 311.429 4.149 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C(C)C)cc2)cc1 28290930 KAODHJNSHNNNTP-INIZCTEOSA-N 311.425 4.316 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(C)cc2)cc1 30860441 IBRGUDZWJOVAAC-INIZCTEOSA-N 313.466 4.443 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCC1 30869268 WUJSUYCJRUBLGE-SFHVURJKSA-N 311.425 4.446 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1 43209985 TVVOHCKPUMLKEE-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1nc(C)c(CC(=O)Nc2ccc(Cl)c(Cl)c2)s1 44449851 DFWLWVRBUTWYDC-UHFFFAOYSA-N 315.225 4.248 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCc1ccccc1 55487801 DGODBOKHKOYCBK-LJQANCHMSA-N 318.420 4.405 0 40 DIAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 57061310 ADBLCXKVLSFZLV-BMEPFDOTSA-N 315.363 4.192 0 40 DIAB Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1 68741151 SADMGZAEISPPFX-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB C[C@@H](Nc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207685 MCBPVMCGHKCZAR-CABCVRRESA-N 304.434 4.134 0 40 DIAB O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc[nH]c1=S 72303812 SRNJGCUHHKXQFN-UHFFFAOYSA-N 323.377 4.184 0 40 DIAB CN1CCC(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 74921046 FMAVCUBZEKJAGZ-UHFFFAOYSA-N 324.424 4.149 0 40 DIAB Cc1ccc([C@H]2CSCCN2C(=O)Nc2ccccc2)cc1 84148761 JJEFSOAMVXBCFR-QGZVFWFLSA-N 312.438 4.317 0 40 DIAB Cc1ccccc1-c1cc(NCc2ccc(F)cc2F)n(C)n1 84247659 DNEFOIIJOVRIED-UHFFFAOYSA-N 313.351 4.286 0 40 DIAB CN(C)C(=O)c1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1 96150685 QWFVFPMWIZRABP-UHFFFAOYSA-N 311.278 4.213 0 40 DIAB Cc1c(CNC(=O)N(C)[C@H](C)c2ccncc2)oc2ccccc12 96406875 HHZFZUBRUASTGI-CQSZACIVSA-N 323.396 4.039 0 40 DIAB O=c1oc(-c2ccccc2)cc2c(=O)oc(-c3ccccc3)cc12 205260353 WUBQBGOTTZOMTK-UHFFFAOYSA-N 316.312 4.080 0 40 DIAB CC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223200517 SYTSKBQJFRYFAR-SMDDNHRTSA-N 309.837 4.384 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217527 DDNHFOKESJSAMX-HZPDHXFCSA-N 323.436 4.128 0 40 DIAB Cc1cc(C)cc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c1 225036369 FEQCHOWKYFFMDR-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCO[C@@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@@H](C)C1 225717778 BTSHGIJZQJFGEV-YJYMSZOUSA-N 319.445 4.236 0 40 DIAB CSc1ncc(/C=C/C(=O)Nc2cccc3ccccc23)cn1 408534788 WRACPUHSCHRYTK-MDZDMXLPSA-N 321.405 4.004 0 40 DIAB COC(=O)C[C@@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C 585656375 OQSWGGNBBDCUQC-GFCCVEGCSA-N 304.430 4.321 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)CCC1CCCCC1 483117 DGFZTTARNCHODV-UHFFFAOYSA-N 303.402 4.162 0 40 DIAB c1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)nc1 526948 NJJYINWZAAPHSP-UHFFFAOYSA-N 304.397 4.436 0 40 DIAB Cc1cc(CNC(=O)/C=C/c2ccc(F)cc2)c2ccccc2n1 1427397 SCUNKMQCVXALQO-DHZHZOJOSA-N 320.367 4.012 0 40 DIAB CC(=O)c1c(C)c(C)c(O)n(C/C=C(/C)CCC=C(C)C)c1=O 1735125 WHWWVBKYMLKDGN-RAXLEYEMSA-N 317.429 4.066 0 40 DIAB CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccccc1 2283388 XYAUTAKAOZYYTJ-HNNXBMFYSA-N 300.335 4.216 0 40 DIAB COc1cc(SC)ccc1C(=O)OCc1ccccc1Cl 3342310 BBZZKLWKBPZYFQ-UHFFFAOYSA-N 322.813 4.428 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 3562365 RRMPJUIQFREONM-LLVKDONJSA-N 324.207 4.077 0 40 DIAB COc1ccc2ccccc2c1/C=C1/C(=O)N(C)c2ccccc21 4622445 UCFNVWCRPQJDPM-QGOAFFKASA-N 315.372 4.365 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCCC1 5443393 ZZCBSWNREVFHLX-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB Cc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 6565329 JVEJLKDUOAQXOV-UHFFFAOYSA-N 305.406 4.217 0 40 DIAB Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C 7364372 LSVHRSMKRQSCJO-LJQANCHMSA-N 306.409 4.341 0 40 DIAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2)cc1 7380729 TUFJIZKCVIONJR-MRXNPFEDSA-N 310.441 4.269 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(C)n3)ccc2c1 12527452 IQHOTRXMBCSPHI-CQSZACIVSA-N 320.392 4.294 0 40 DIAB Clc1ccc2nc(CN3CCC[C@@H]3c3cccs3)cn2c1 16340751 INAALWVKNRBORS-CQSZACIVSA-N 317.845 4.386 0 40 DIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(C(C)(C)C)cc1 19784071 XPQYIRGHKJEIKE-CQSZACIVSA-N 321.417 4.025 0 40 DIAB Cc1ccc(-c2cc(N3CCc4ccccc43)nc(C)n2)cc1 19822018 FMVWIQMZKLQBCB-UHFFFAOYSA-N 301.393 4.455 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(C)cc2)cc1 19932007 CVKBEMDGMVXLFH-MRXNPFEDSA-N 311.425 4.204 0 40 DIAB Cc1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)n1 21894242 XIJFKYDITGHVCD-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCC1 22131444 ZYIDXLIXMIYGJK-UHFFFAOYSA-N 316.470 4.350 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1F 30758004 WAHPWNYCJJEUFM-CYBMUJFWSA-N 301.361 4.355 0 40 DIAB Cc1ccsc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 32906969 WSSVRNOJUKZFDN-UHFFFAOYSA-N 316.426 4.293 0 40 DIAB COc1ccc(OC)c(C(=O)c2cc(Cl)cc(Cl)c2)c1 37353839 XGPNJADWKCSDPF-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CCCSc2ccccc2)o1 39975808 NELFQZWYWPJMQM-CQSZACIVSA-N 303.427 4.338 0 40 DIAB CSc1ccc(/C=C(\C)c2n[nH]c(-c3ccccc3O)n2)cc1 40287446 KIXUFHOWKTWXEC-VAWYXSNFSA-N 323.421 4.460 0 40 DIAB COc1ccc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 59953418 PZVPGJSAQXFBHI-UHFFFAOYSA-N 311.410 4.081 0 40 DIAB Cc1ccc(C(C)(C)C)cc1SCc1ccn(C)c(=O)c1 69511447 WHYZUDPMBZGUBF-UHFFFAOYSA-N 301.455 4.284 0 40 DIAB COc1cc(OC)cc([C@H]2SCC(O)=Nc3ccsc32)c1 71279097 FNGSBVYAHOCCPS-CQSZACIVSA-N 321.423 4.190 0 40 DIAB CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)CC1CCCCC1 72286557 PEWFYFJJZBVNHT-MRXNPFEDSA-N 323.502 4.197 0 40 DIAB Cc1cc(C)c2[nH]c(-c3ccc(N)cc3Br)nc2c1 73639298 IGWIMBUGVXLGHN-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB Cc1nn(C(C)C)c(C)c1[C@H](C)NC1CCC(OC(C)C)CC1 90771865 HSWGXCUIFIOZKJ-NNGSBXSVSA-N 321.509 4.468 0 40 DIAB Cc1cccc([C@H](C)NCc2ccc(Cn3ccnc3)cc2)c1 95420170 AUXJVKYNUGPLBY-KRWDZBQOSA-N 305.425 4.091 0 40 DIAB CC(C)(C)Oc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1 95633963 QYXWEMFGXZWOND-UHFFFAOYSA-N 318.413 4.472 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999048 ZNPZZRYCWATNQP-KKFJDGPESA-N 315.269 4.468 0 40 DIAB CCc1c(-c2ccccc2Cl)nn(Cc2ccccc2)c1N 199750303 CCQXPOSLOVSRNQ-UHFFFAOYSA-N 311.816 4.396 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1C 222611074 LTYDTARBWPXVAZ-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3C)N21 222640625 ZYDSTRKZULHDRE-FHLIZLRMSA-N 323.465 4.369 0 40 DIAB CCc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225043065 KMPFNWPTZRKTAS-KRWDZBQOSA-N 318.800 4.286 0 40 DIAB COC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCCCC1 225630234 GTHWOJNBFBRJTE-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225704260 MBZHSKRWHQHOJO-SFHVURJKSA-N 307.434 4.318 0 40 DIAB CC(C)C(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccs1 226818113 IUIBUEIJFLQKQZ-CYBMUJFWSA-N 304.440 4.143 0 40 DIAB Cc1ccc2oc(C)c(C(=O)c3ccccc3Cl)c(=O)c2c1 265233 ZADPSGSOKDWVGI-UHFFFAOYSA-N 312.752 4.294 0 40 DIAB ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1 347516 JCHPURCMHDZKSA-UHFFFAOYSA-N 314.860 4.372 0 40 DIAB O=C(O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 2140831 OUHZYLOWLVTILL-SOFGYWHQSA-N 306.720 4.156 0 40 DIAB COc1ccc(CC(=O)Nc2cccc3ccccc23)cc1OC 3549113 TXTCCHCWUICWST-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB CC1(C)C(c2cccs2)=NC2(C3CC4CC(C3)CC2C4)N1O 4480580 SDJWCWVDQPCEIV-UHFFFAOYSA-N 316.470 4.173 0 40 DIAB CCCCn1c2ccc(F)cc2c2nnc(SCC)nc21 4748352 MZTVFLSTBQBMCB-UHFFFAOYSA-N 304.394 4.031 0 40 DIAB CSc1cccc2sc(NC(=O)c3cccs3)nc12 5299223 FTVPHGICXSVTLZ-UHFFFAOYSA-N 306.437 4.332 0 40 DIAB Clc1ccc([C@@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 5897008 WRZDVQCCPIAANP-OLZOCXBDSA-N 316.817 4.139 0 40 DIAB Cc1ccccc1-c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 7424953 CZAHRIPYGHJQGF-UHFFFAOYSA-N 320.327 4.241 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)cc1C 8499490 KMIVWBGUTVGBOB-INIZCTEOSA-N 301.430 4.077 0 40 DIAB COc1cccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c1 12909347 PDTRXXZZLIYHGN-FNORWQNLSA-N 316.784 4.078 0 40 DIAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(Cl)cc1 14869882 MHCSHYSCBPFKAG-FMIVXFBMSA-N 315.800 4.020 0 40 DIAB Cc1nc2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2o1 15540447 DPTVPXDLCKQDAL-UHFFFAOYSA-N 322.698 4.320 0 40 DIAB Cc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 19736125 WBRYDQGMUSPGLF-CQSZACIVSA-N 312.413 4.107 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)cc1 20480967 KBYSWCCOZSEIKV-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)cc1 26203720 UKGNTVUNEPYTOC-LJQANCHMSA-N 311.425 4.204 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2ccc(C)cn12 26964291 HFNRMJNVXRGXTN-UHFFFAOYSA-N 313.332 4.017 0 40 DIAB CCCc1noc([C@H](C)Sc2nc3ccc(C)cc3[nH]2)n1 27774562 DBCKYZPCBZXTKL-JTQLQIEISA-N 302.403 4.060 0 40 DIAB CC(=O)c1cccc(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 28809882 AKXSDDMLBXOHBY-CYBMUJFWSA-N 320.392 4.362 0 40 DIAB C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 34867689 QURZUVGLYNGKTO-FPMFFAJLSA-N 314.351 4.168 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccs1 44315246 HXRTVNCBFSQNAR-STQMWFEESA-N 305.468 4.247 0 40 DIAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccc(F)cc1 44676309 PPLXPYGJODSNNE-UHFFFAOYSA-N 313.254 4.192 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1ccccc1Cl 53521371 OJHUPGAHFFYLCV-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB Cc1ccc(C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 54124124 ICYICRNSHDGPLH-UHFFFAOYSA-N 320.392 4.236 0 40 DIAB O=C(c1ccc(-c2cnco2)cc1)N(C1CCCCC1)C1CC1 58136338 LXAJHBCHJCIZIR-UHFFFAOYSA-N 310.397 4.279 0 40 DIAB O=C(CCCc1ccccc1)Nc1nc(-c2ccncc2)cs1 61719279 BUAXKRWPTMLDCZ-UHFFFAOYSA-N 323.421 4.167 0 40 DIAB COC(=O)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1 68675257 KVDVGYGARSSYPT-UHFFFAOYSA-N 302.333 4.170 0 40 DIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccc(Cl)c(Cl)c1 95096030 DBJJGKJZPVAWCW-OIBJUYFYSA-N 301.091 4.012 0 40 DIAB Cc1nnc([C@@H](C)Nc2ccc(SC(F)(F)F)cc2)o1 95395911 ZBKBDVIQGWYBBE-SSDOTTSWSA-N 303.309 4.163 0 40 DIAB Cc1nnc(CN(C)Cc2ccc(-c3ccccc3)cc2)s1 95459504 UFPCVNHEVPPAFA-UHFFFAOYSA-N 309.438 4.146 0 40 DIAB FC(F)(F)SCCCNCc1ccccc1C(F)(F)F 95918394 BPFWWOSOTRFDDE-UHFFFAOYSA-N 317.298 4.438 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 104242034 FDWIVGHPYKMNRS-LORHUDTHSA-N 302.458 4.269 0 40 DIAB CCCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 211116260 PYIQBZAFQJJYCC-FQEVSTJZSA-N 322.452 4.038 0 40 DIAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)cc3)nc2c1 216922378 KCSCGLIIRNBOSS-UHFFFAOYSA-N 318.735 4.199 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223218618 NQWWGMOMMWAHNB-HNNXBMFYSA-N 317.429 4.039 0 40 DIAB CC(C)c1ccc(NC(=S)NCCCc2ccco2)cc1 225804272 VMCHGBLRLNEFBQ-UHFFFAOYSA-N 302.443 4.322 0 40 DIAB CO[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 245318986 YQVNELYVHGIKRR-YQXKYMSPSA-N 304.474 4.325 0 40 DIAB c1cncc(-c2ccc3c([C@@H]4CCCN4C4CCC4)ncn3c2)c1 306124631 BVKQAXXOAIZESC-IBGZPJMESA-N 318.424 4.086 0 40 DIAB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)c2ccccc21 409111594 DKBPIWHDTYSEIH-VBKFSLOCSA-N 323.392 4.088 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCOC2)o1 521393878 FKWFHJJFNHIRGE-XJKSGUPXSA-N 324.380 4.257 0 40 DIAB CCCc1nc(-c2noc(-c3cccc(C(F)F)c3F)n2)co1 528199924 RWPRLCPDPWWJEV-UHFFFAOYSA-N 323.274 4.421 0 40 DIAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)C1CCCC1 484173 UCMNVHZMRIKZNP-UHFFFAOYSA-N 308.353 4.217 0 40 DIAB Cc1ccc(OCCCCn2c([C@@H](C)O)nc3ccccc32)cc1 1926801 LVNSTELSZNLVKR-MRXNPFEDSA-N 324.424 4.257 0 40 DIAB Oc1cccc2c(NC(=S)NC3CCCCC3)cccc12 3324986 NZWWAXOXLUPPSF-UHFFFAOYSA-N 300.427 4.165 0 40 DIAB CCCOc1ccccc1OCC(=O)Nc1ccc(CC)cc1 3327533 IXULUGRHFRDQIT-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB O=C(CNC1CCCCC1)N(C1CCCCC1)C1CCCCC1 3329807 GTLCGGZWYMNKFB-UHFFFAOYSA-N 320.521 4.403 0 40 DIAB O=C(Nc1nc2c(F)cccc2s1)c1cccc(Cl)c1 4331524 FGFXOQAJJNYFSP-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB Clc1ccc(-c2cn3nc(N4CCCCC4)sc3n2)cc1 4475686 DMHHIJLFIXUFTB-UHFFFAOYSA-N 318.833 4.102 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 4694495 LPGQSNRXUBEFHP-OAHLLOKOSA-N 318.461 4.227 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2cccs2)c(OC)c1 5019666 JECMAQHRGPXLNK-ZDUSSCGKSA-N 305.443 4.224 0 40 DIAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 7384111 GJPPZKHLUMREPU-QWRGUYRKSA-N 315.244 4.052 0 40 DIAB Cc1cc2nc(NCCCc3ccccc3)c3ccccc3n2n1 7735845 NRMTWTJOACFREM-UHFFFAOYSA-N 316.408 4.236 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)C12CC3CC(CC(C3)C1)C2 9112551 GIULIMJQVBWSKR-UHFFFAOYSA-N 309.453 4.491 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccnn1C1CCCCC1 9602445 QFTWZGDATQRJGR-HIFRSBDPSA-N 320.506 4.253 0 40 DIAB O=c1[nH]c(/C=C/c2ccccc2)nc2sc3c(c12)CCCCC3 9691031 LVWYJFPBMULCBJ-VAWYXSNFSA-N 322.433 4.424 0 40 DIAB Cc1cc(CNC(=O)c2cccc(C(F)(F)F)c2)ccc1F 11008728 GSQFUHDLSKUGDH-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 12751127 XKGXOYNSRRMZPC-ZQIUZPCESA-N 304.434 4.024 0 40 DIAB CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 23042570 NHTFAJSSKXSETN-HNNXBMFYSA-N 312.438 4.472 0 40 DIAB N=C1c2ccccc2CN1CC(=O)c1ccc(Cl)c(Cl)c1 26506838 WXWMLTWJIVBTDI-UHFFFAOYSA-N 319.191 4.017 0 40 DIAB Cc1cc(C)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(C)c1 29483191 BKJFUXACLXWWMG-IBGZPJMESA-N 322.452 4.170 0 40 DIAB CN(Cc1cccc(-c2nc(C(=O)O)cs2)c1)c1ccccc1 31945287 NMQYSQLSAYDUAX-UHFFFAOYSA-N 324.405 4.145 0 40 DIAB CN(C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 32809563 SSZMJUWBGSYVGG-UHFFFAOYSA-N 320.845 4.137 0 40 DIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1c[nH]c2ccccc12 32937822 AUIHVBFZRQZGJV-UHFFFAOYSA-N 317.348 4.439 0 40 DIAB CN(CCCc1ccccc1)C(=O)Nc1cc(F)cc(F)c1 40105523 WKAHMRONMXXUKU-UHFFFAOYSA-N 304.340 4.061 0 40 DIAB Nc1c(-c2ccncc2)sc2nc(-c3ccccn3)ccc12 40288447 MYFBKKRGZGIBRJ-UHFFFAOYSA-N 304.378 4.003 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCCCCC1 44884709 LMHYYDDSCRIJJD-HNNXBMFYSA-N 309.837 4.336 0 40 DIAB CC(C)(C)c1cc(NC(=O)C2(c3cccs3)CCCC2)on1 49026403 ARXBRJJVYTXREL-UHFFFAOYSA-N 318.442 4.484 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2)c1 59843389 ATNTURDTIQVCCS-MRXNPFEDSA-N 309.409 4.280 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc2ncccc2c1 72221794 OGNUBOHXYFXUCH-LJQANCHMSA-N 302.377 4.212 0 40 DIAB Cc1nc(NC(=O)c2ccc(Oc3ccccc3)o2)sc1C 72260071 YLGOVFZSADPKKU-UHFFFAOYSA-N 314.366 4.398 0 40 DIAB FC(F)(F)c1ccccc1CNCCCNc1ccccc1 72289948 QZLJZFULJWIFJH-UHFFFAOYSA-N 308.347 4.297 0 40 DIAB CSCCCSc1nnc(CCCc2ccccc2)o1 89493732 OCTMJZFQBZRBEY-UHFFFAOYSA-N 308.472 4.090 0 40 DIAB Fc1c(Br)cccc1OC(Cl)(Cl)Cl 95215555 JUCHOPCECFMUSU-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB Cc1c(Cl)cccc1[C@H](O)c1cccc(Br)c1 95730263 FOFBSCXUDWCJRU-CQSZACIVSA-N 311.606 4.493 0 40 DIAB NC(=O)[C@@H](Cc1ccccc1)Sc1ccc2ccccc2c1 97114176 GWMMKHSRWRYCQT-GOSISDBHSA-N 307.418 4.029 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1)c1ccc2c(c1)CCC2 223151387 ASHMUFGHIGILMM-AWEZNQCLSA-N 311.450 4.145 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223206754 LLHWLZZRIBBLOM-INIZCTEOSA-N 323.436 4.048 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(C)cc2C(C)=CC1(C)C 223217767 MOXKYNRDWWQDQT-KRWDZBQOSA-N 301.430 4.339 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C 223478830 RUVSWCVRTLOPDE-QGZVFWFLSA-N 311.425 4.118 0 40 DIAB COCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OC 224395990 PWFDKOPNRABKHG-UHFFFAOYSA-N 313.397 4.217 0 40 DIAB CCCOCc1cc(C(=O)Nc2ccccc2F)ccc1OC 224412643 HWBZXHKSQGARKY-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225607985 VTVHPRFVURCYMA-GOSISDBHSA-N 307.434 4.174 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc(C)c1Cl 250964299 WCBGIDMPHRTSPP-HOSILWTGSA-N 321.848 4.029 0 40 DIAB CCOC1CC(N(C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 558231892 OIRHLOIMSMERDE-UHFFFAOYSA-N 304.434 4.015 0 40 DIAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Cl)cc1 27971 ROLLULMZYUVCBZ-NTEUORMPSA-N 318.159 4.338 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)C(=S)NC2CCCCC2)cc1 31509 HHBJRKJBEOCRLS-ZDUSSCGKSA-N 318.486 4.388 0 40 DIAB Cc1ccc(-c2nnc(-c3ccccc3Br)o2)o1 420049 VWDKXRKYBJFOQG-UHFFFAOYSA-N 305.131 4.068 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1OCC 497058 BRHVYIXGXJCWBN-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB CN(C(=O)C1CCCCC1)c1nc(-c2ccccc2)cs1 882007 DFMCHIFQBVLIOU-UHFFFAOYSA-N 300.427 4.353 0 40 DIAB C[C@@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccccc1 3445019 AEAHPNIVJWHJQM-LLVKDONJSA-N 324.207 4.250 0 40 DIAB CCOc1ccc(-c2cc3ccccc3oc2=O)cc1OCC 4042792 XLPKQVWKKUFLNL-UHFFFAOYSA-N 310.349 4.257 0 40 DIAB biogenic Cc1ccccc1-n1cnc2cc(NCc3ccncc3)ccc21 4384589 SIDNTWRXEDFPAJ-UHFFFAOYSA-N 314.392 4.341 0 40 DIAB O=C(Nc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 6339788 LXMJGHUNOZMMRI-UHFFFAOYSA-N 302.202 4.026 0 40 DIAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(O)cc1 6356734 ZHSLPLLHBMGXFG-HNENSFHCSA-N 310.422 4.483 0 40 DIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 6888740 SONNYPUEXHWBIR-UHFFFAOYSA-N 303.736 4.460 0 40 DIAB CC(C)C(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 7343520 NBXHXGDEZSCLPQ-UHFFFAOYSA-N 313.788 4.478 0 40 DIAB O=C(/C=C/c1cccs1)N[C@@H]1CCSc2ccccc21 7784000 BDWBQVUKDUDBMM-HSBSLETESA-N 301.436 4.115 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1F 8131651 FNZBLHWCDWAEPK-NSHDSACASA-N 314.385 4.269 0 40 DIAB Cc1ccccc1CNC(=O)c1csc(-c2cccs2)n1 8367312 CVJFRTWSJSYSSH-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(SC)c1 8499874 WVRLFGVIDNKLGM-MRXNPFEDSA-N 301.411 4.205 0 40 DIAB O=C(O)/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 11887057 ZWZJPAXAXHPLPG-FPYGCLRLSA-N 306.720 4.156 0 40 DIAB O=Cc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 12293910 LFTHNSQVEQHOOT-UHFFFAOYSA-N 302.329 4.385 0 40 DIAB O=C(Cc1cccc2ccccc12)N(Cc1ccco1)C1CC1 13018544 RMXYAGPYSWRGTE-UHFFFAOYSA-N 305.377 4.167 0 40 DIAB Fc1ccc(-c2cc3nc4c(c(Cl)n3n2)CCCC4)cc1 13562774 KCTBZFGXDWRKIA-UHFFFAOYSA-N 301.752 4.068 0 40 DIAB Cc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 14138913 SBCKPYHFCCBZJL-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C 15577824 IQAQCLWKEQGJCK-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB COC[C@H](C)n1c(C)cs/c1=N\c1ccc(Cl)c(F)c1 15635048 NYPQBTAPLKBABA-DJKGHHAWSA-N 314.813 4.090 0 40 DIAB C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 15744697 AAWCLXHUNAJJLM-OAHLLOKOSA-N 306.409 4.020 0 40 DIAB Cc1ccc2nc(-c3ccc(CNC(=O)C(C)C)cc3)oc2c1 16348588 TZOSLMRYCVLCEH-UHFFFAOYSA-N 308.381 4.075 0 40 DIAB Clc1ccc(C2(CN(Cc3ccncc3)C3CC3)CC2)cc1 19332727 DPERNDSIHUJAPZ-UHFFFAOYSA-N 312.844 4.431 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 21895250 SGQFCLJRANBWCD-ZIAGYGMSSA-N 310.441 4.165 0 40 DIAB CCc1c(-c2ccc(Br)cc2)nc2sc(C)nn12 28539938 HLFQQLSJXGPSNC-UHFFFAOYSA-N 322.231 4.091 0 40 DIAB C[C@@H](Sc1nc2ccccc2o1)c1nc(-c2ccco2)no1 29738102 QQFQVVJDLGZUHO-SECBINFHSA-N 313.338 4.324 0 40 DIAB CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 41091184 ORLAFEHAPWMEPQ-UHFFFAOYSA-N 321.417 4.278 0 40 DIAB CCCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2C)c1 45889260 IJTBIHLYVMDOJS-UHFFFAOYSA-N 312.413 4.317 0 40 DIAB CCC(=O)N1CCc2cc(-c3csc(-c4ccco4)n3)ccc21 55049037 CEGCFBADDQXTRL-UHFFFAOYSA-N 324.405 4.369 0 40 DIAB N[C@@H](c1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1 61703492 BMJBBUSZMVDXGE-ZDUSSCGKSA-N 301.695 4.287 0 40 DIAB O=C(C1CCOCC1)N(Cc1ccccc1Cl)C1CCCC1 69451435 GAGJEJYXKSWIPM-UHFFFAOYSA-N 321.848 4.038 0 40 DIAB Cc1nc(C)c([C@@H](C)N(C)C(=O)CSc2ccccc2)s1 71883138 VDPLDAUHSZYSLE-GFCCVEGCSA-N 320.483 4.072 0 40 DIAB C[C@H](NCC1(c2ccccc2)CC1)c1ccccc1-n1cccn1 84660895 NNFMWZPOUFLYDH-KRWDZBQOSA-N 317.436 4.255 0 40 DIAB COc1ccc2cc(Br)ccc2c1CCC(C)=O 85398472 HSDRJXYCCUXYPQ-UHFFFAOYSA-N 307.187 4.133 0 40 DIAB CC[C@H](C)C[C@@H](C)NC(=O)c1sccc1Br 88301818 BPQHKMWNERHHIA-DTWKUNHWSA-N 304.253 4.065 0 40 DIAB C[C@@H]1CCC[C@H]1N1CCO[C@H](c2ccc(Br)cc2)C1 95457062 VFVQTNJXXPSXBA-WQVCFCJDSA-N 324.262 4.011 0 40 DIAB C[C@H](O)c1ccccc1NC(=O)C[C@@H](C)c1cccc(F)c1 95993509 AVFGURFUZHQDMW-OLZOCXBDSA-N 301.361 4.011 0 40 DIAB N#Cc1cccc(/C=C(\CCC(=O)O)c2nc3ccccc3o2)c1 96295922 PMMDGXNGUSJCHI-RVDMUPIBSA-N 318.332 4.105 0 40 DIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)N(C)C)(C4)C2)C3)cc1 100864055 PZMPPOPMSOAIRI-FBIZOPLVSA-N 311.469 4.311 0 40 DIAB Cc1sc(N)c(-c2nc(-c3ccccc3Cl)no2)c1C 106597938 LFZLZSUZUCRTDT-UHFFFAOYSA-N 305.790 4.318 0 40 DIAB Cc1ccc(-c2ccc(CCC(=O)O)o2)c(Br)c1 216923282 XTUIBQWAEKAIKB-UHFFFAOYSA-N 309.159 4.035 0 40 DIAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCC2 223257181 RHEFLKNJIWDYNP-CYBMUJFWSA-N 313.828 4.249 0 40 DIAB COc1ccccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223260717 WOANRXWXCHSRPA-ZDUSSCGKSA-N 310.397 4.067 0 40 DIAB Cc1cc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)ccc1Cl 225022849 YYJQLTAUBFXHQU-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Cc1cccc(NC(=O)Cc2cccc(Br)c2)c1C 225612391 HBMGVTCJLYIJGQ-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccnc1 225661963 UDOQNLAQFMFWJX-CQSZACIVSA-N 313.470 4.124 0 40 DIAB C[C@@H](Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1 390232057 HUDXGFBNBSGIGG-RXMQYKEDSA-N 315.516 4.278 0 40 DIAB O=C(NC(=S)c1cccc2ccccc12)N1CCCCCC1 408731847 NKJQDEMTKDXMPG-UHFFFAOYSA-N 312.438 4.101 0 40 DIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(C)c3)S2)cc1 408787185 UCSMYLBZSWZDDE-GTVARFKMSA-N 324.449 4.157 0 40 DIAB O=C(N1Cc2cccnc2C1)N(c1ccccc1)c1ccccc1 585394211 YFTJYRUKHVEFDT-UHFFFAOYSA-N 315.376 4.356 0 40 DIAB CO[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1ccccc1F 1615136776 LJBRGMDTCAJYKI-VQIMIIECSA-N 305.437 4.038 0 40 DIAB Fc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1 347711 RKVNCXMGUVAYEF-UHFFFAOYSA-N 317.379 4.167 0 40 DIAB Cc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 538671 ONVDXQNSJUSADL-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB Cc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c(Cl)c1 578593 ASYLWXZHPDMBPC-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB Cc1ccsc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 1428076 XBWOGEYZBJSCPD-NTEUORMPSA-N 315.419 4.293 0 40 DIAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1F 2619383 MMZKJHFOARQXEU-UHFFFAOYSA-N 300.358 4.007 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2648720 QRMIIFRUGCOUBX-HOTGVXAUSA-N 311.425 4.456 0 40 DIAB Cc1ccc(-n2c(C)c(Br)c3c2CCCC3=O)cc1 3192989 UBWJJUNOYTYUMC-UHFFFAOYSA-N 318.214 4.376 0 40 DIAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)C(=O)CC(C)(C)C3 3258586 UDBALFCKKZDHQA-UHFFFAOYSA-N 323.371 4.023 0 40 DIAB Cn1cc(SCC(=O)Nc2cccc(F)c2)c2ccccc21 4060484 MHMYXLNYEHZVLZ-UHFFFAOYSA-N 314.385 4.048 0 40 DIAB O=C(Nc1ccccc1F)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 4189807 GGUBAOBARFCCSV-KGLIPLIRSA-N 324.182 4.352 0 40 DIAB CC(=O)O[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 4473144 SBKMXGVIXAFDHO-IRXDYDNUSA-N 317.772 4.112 0 40 DIAB CCc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 6919592 TYTAXLPSMMRKTR-UHFFFAOYSA-N 303.427 4.173 0 40 DIAB Cc1c(Cl)cccc1-c1ccc(CNC[C@@H]2CCCO2)o1 7538927 ZSMBATONJUXBJZ-ZDUSSCGKSA-N 305.805 4.177 0 40 DIAB O=C(NC1CCCCC1)c1ccccc1OCc1ccccc1 7609040 KDQYEQMHLSVUQW-UHFFFAOYSA-N 309.409 4.328 0 40 DIAB O=C(CCCOC(=O)c1cc2c(s1)CCC2)c1ccccc1 7779599 CPOQYWJLZDXPNI-UHFFFAOYSA-N 314.406 4.057 0 40 DIAB Cc1ccsc1CN(C)c1ncnc2sc(C)c(C)c12 8202916 MEIOHYMHEPCJCU-UHFFFAOYSA-N 303.456 4.314 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@H](CCC)C(=O)O 8732913 SJRJJGPRDPECAE-SWLSCSKDSA-N 323.458 4.407 0 40 DIAB COc1ccc2nc(/C=C/c3ccc(OC)c(O)c3)sc2c1 8988534 MGWCLUPARGNBIO-XBXARRHUSA-N 313.378 4.190 0 40 DIAB Cc1ccccc1CS[C@H](C)c1nc2ccccc2c(=O)[nH]1 9620275 AYUUCADCLXSSIX-CYBMUJFWSA-N 310.422 4.226 0 40 DIAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1F 9883147 NZVSONKHRSSRSG-UHFFFAOYSA-N 308.356 4.172 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(SC(F)F)cc1 10368782 QAKUNRLTLLHVAA-UHFFFAOYSA-N 311.328 4.070 0 40 DIAB CCCCC1CCC(C(=O)Nc2onc3c2CCCC3)CC1 11914331 APQPNPVCGLZCBV-UHFFFAOYSA-N 304.434 4.489 0 40 DIAB CC(C)Nc1ncc(-c2cccs2)c(-c2nccs2)n1 12220249 BIUUDJPRFQFCTQ-UHFFFAOYSA-N 302.428 4.149 0 40 DIAB CCSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1 12406573 FZOXNCRVZRLIBU-ZDUSSCGKSA-N 318.373 4.288 0 40 DIAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1 12999873 PJQQCGCGIJQMSS-CYBMUJFWSA-N 308.406 4.301 0 40 DIAB COc1cc(OC)c(/C=C/c2ccnc3ccccc23)c(OC)c1 13220521 TZZOUOFCPOEBHI-CMDGGOBGSA-N 321.376 4.431 0 40 DIAB COc1ccccc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 18174140 SCJMRUZVSJZSCN-AWEZNQCLSA-N 324.424 4.457 0 40 DIAB NC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 24934554 RQIFRVJGSGEICN-UHFFFAOYSA-N 310.382 4.044 0 40 DIAB O=S(=O)(Oc1ccc(Cl)cc1)c1cccc2ccccc12 32602179 AFRHRBSHQLJWES-UHFFFAOYSA-N 318.781 4.261 0 40 DIAB CCc1cccc2c(C3=CCN(C(=O)c4ccco4)CC3)c[nH]c12 32754797 ZIIZLCFMJFLRKN-UHFFFAOYSA-N 320.392 4.253 0 40 DIAB CCC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44900858 AXUVBIKSTHOXNJ-MRXNPFEDSA-N 322.452 4.168 0 40 DIAB O=C(CSc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 48339841 NKEWVCWVMBDPFT-QGZVFWFLSA-N 315.413 4.282 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C 71872191 OEVGNJQSYVEFCE-KDOFPFPSSA-N 324.424 4.220 0 40 DIAB CC(C)n1cc([C@@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 95419301 LQSMNTHXMMGWTE-OXQOHEQNSA-N 320.440 4.299 0 40 DIAB O=C([C@H]1C[C@H]1c1ccccc1F)N1CCCC12CCCCC2 95444171 NTENMQBYMAGCMP-HOTGVXAUSA-N 301.405 4.255 0 40 DIAB COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccccc3)CCN1CC2 95561610 SPYSWTOTYSJXHH-APWZRJJASA-N 323.436 4.181 0 40 DIAB CC(C)COc1cc(OC(F)(F)F)ccc1Br 95915409 JNOAOTPSCOMWCC-UHFFFAOYSA-N 313.113 4.383 0 40 DIAB CC(C)CC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96114711 XHKNWKLSPNRUTE-OAHLLOKOSA-N 304.821 4.361 0 40 DIAB biogenic Cc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 98072792 WBGOWCPAEVWQRO-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)CCC1 102656388 IRJFIUIVAQAZDJ-SFHVURJKSA-N 316.364 4.103 0 40 DIAB CCOC(OCC)c1cc2cnc(Cl)nc2n1C1CCCC1 117733535 YWICPKUTHUYIHQ-UHFFFAOYSA-N 323.824 4.271 0 40 DIAB CC[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2 170218247 ILGZYQJKFLDGIP-GOSISDBHSA-N 313.466 4.437 0 40 DIAB COc1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1C 224933158 ORJJYGKNVGXYDZ-LJQANCHMSA-N 323.436 4.130 0 40 DIAB COc1ccc(Cl)cc1C(=O)NCCC1CCCCCC1 225039762 MJCYPYOXXULPDW-UHFFFAOYSA-N 309.837 4.439 0 40 DIAB CO[C@@](C)(C(=O)Nc1ccc(OC2CCCC2)c(C)c1)C1CC1 225645457 YZUHXJYBQLBNKY-LJQANCHMSA-N 317.429 4.070 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cn1 225893846 QLFWOJUPOFXYTO-SFHVURJKSA-N 322.449 4.040 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1N 226305124 MMKHZWSZDSUECX-ZIAGYGMSSA-N 312.413 4.240 0 40 DIAB Fc1ccc(CN2CCCC[C@@H]2c2ncn3ccsc23)cc1 257284802 PEJLCDGDZXBVHZ-OAHLLOKOSA-N 315.417 4.262 0 40 DIAB O=C(COc1ccc(Cl)cc1Cl)NC1CCCCCC1 482657 UUKUUWMKGBUJEJ-UHFFFAOYSA-N 316.228 4.211 0 40 DIAB COc1cc2ncnc(Nc3ccc(C)cc3C)c2cc1OC 1386784 ANBPMJPMSHSIPA-UHFFFAOYSA-N 309.369 4.007 0 40 DIAB COc1cc(C=O)ccc1OC(=O)Nc1cc(Cl)ccc1C 1741514 FPBNTBZQLIMGHG-UHFFFAOYSA-N 319.744 4.080 0 40 DIAB Nc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 1755370 GJKNIXBEIFOOSX-UHFFFAOYSA-N 305.377 4.427 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1 3403199 BPPKVHUDDDOLIQ-CYBMUJFWSA-N 321.342 4.457 0 40 DIAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2CCCCC2)c(C)c1 3416676 GREWUNYARBFCOQ-OAHLLOKOSA-N 317.429 4.062 0 40 DIAB CC[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1CC 4138498 PYLLNCUGTDGFTA-NSHDSACASA-N 300.431 4.337 0 40 DIAB CC[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 4942918 SAMMYIXARWNYFU-LLVKDONJSA-N 314.212 4.114 0 40 DIAB CCCCN1C(=O)N(CCCC)c2cccnc2-c2ncccc21 5309172 IEWXGIULAYIAOY-UHFFFAOYSA-N 324.428 4.490 0 40 DIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CC=CCC1 7688655 SDNGGUMZEVBAGO-SNVBAGLBSA-N 320.364 4.383 0 40 DIAB Cc1nn2c(c1-c1ccccc1)N[C@H](c1ccccc1)CC2=O 10385236 SUXCNGJHRKBFQS-INIZCTEOSA-N 303.365 4.056 0 40 DIAB Cc1cccc(C(=O)NCc2csc(-c3ccccc3)n2)c1 15832322 LCWCILPCPDCLIA-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CC(C)(C)c1noc([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 19084647 UFJKMROZPHQMIK-CYBMUJFWSA-N 319.836 4.010 0 40 DIAB C[C@H]1CCC[C@H](NC(=O)c2ccccc2Br)[C@@H]1C 19518066 DSLGRQCCJXUQJF-WDMOLILDSA-N 310.235 4.004 0 40 DIAB O[C@H](c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 19944860 KKJGAZRIFJEPKA-NHCUHLMSSA-N 303.405 4.251 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSC(C)(C)C 20484074 GHFOPHJGCCEHKI-AWEZNQCLSA-N 323.502 4.225 0 40 DIAB CC(C)(C)c1ccc(CCC(=O)Nn2cnc3ccccc32)cc1 21866667 PWKVXGWYKGUOEJ-UHFFFAOYSA-N 321.424 4.037 0 40 DIAB CSc1ccccc1NCC(=O)Nc1cccc(Cl)c1 28663645 OKCMJTIPTIPFGH-UHFFFAOYSA-N 306.818 4.113 0 40 DIAB Cc1nn(C)c2sc(C(=O)Oc3ccc4ccccc4c3)cc12 29083601 HQSOVIGJVABLHE-UHFFFAOYSA-N 322.389 4.316 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCCCC1 30873177 LYBRULFYHXYTFT-GOSISDBHSA-N 303.446 4.300 0 40 DIAB c1csc([C@@H]2NCc3c(sc4c3CCC4)-n3cccc32)c1 32919304 HXWQTTOWNKEGJJ-MRXNPFEDSA-N 312.463 4.282 0 40 DIAB C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccs1 37301089 AYJXZLAVQFPRFT-JTQLQIEISA-N 309.818 4.024 0 40 DIAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](c2ccccc2)C1 38567357 XTGRMTSBYPXDQG-MRXNPFEDSA-N 314.816 4.039 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1cccnc1Oc1ccccc1 40087995 OOIMVPPTUXOJAE-UHFFFAOYSA-N 322.339 4.194 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 40088683 YLMDNBKRZMTXCV-BXKDBHETSA-N 323.849 4.073 0 40 DIAB C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 40134918 NDNJZFILQMSSFE-CYBMUJFWSA-N 311.429 4.007 0 40 DIAB CCN(CC)C(=O)c1cccc(-c2nc3ccccc3s2)c1 41127512 BKHNZVKMGDXZMM-UHFFFAOYSA-N 310.422 4.445 0 40 DIAB Fc1ccccc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 43164407 JDEJKPIDESTDOZ-UXHICEINSA-N 316.464 4.055 0 40 DIAB C[C@@H]1CCCCN1CCCCNC(=O)c1ccc2ccccc2c1 46989102 JKWFHALVACQKHQ-QGZVFWFLSA-N 324.468 4.224 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nsnc2c1 57314166 DDCBHVQLEWPWSJ-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB Cc1ccc(C)c(-c2cc(C(=O)Nc3ccc(C)c(F)c3)[nH]n2)c1 71328463 LRTWBDNTQQXGDO-UHFFFAOYSA-N 323.371 4.393 0 40 DIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 72215192 BFRVDXGGSUVJLW-ZDUSSCGKSA-N 317.433 4.205 0 40 DIAB Cc1cc(C)c2oc(C(=O)Nc3cccc(C)c3C)cc(=O)c2c1 72238592 LGMIUINTFMGRQD-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB O=C(c1cccc(Cl)c1)N1CCC(c2cccs2)CC1 75157017 ZLMZJUJKVADQEV-UHFFFAOYSA-N 305.830 4.421 0 40 DIAB c1coc(-c2nnc(CN3CCCCC[C@@H]3c3ccco3)o2)c1 77177039 YMTSXKDVXQRANM-CYBMUJFWSA-N 313.357 4.040 0 40 DIAB CCOc1cc(C=O)c(Cl)cc1OCc1ccccc1C 95094982 RLGJUQPGNFBOCI-UHFFFAOYSA-N 304.773 4.439 0 40 DIAB CCOc1ccc(CNCc2cc(C)c(C)cc2C)cc1OC 97287862 FTYZRXREDIRMKZ-UHFFFAOYSA-N 313.441 4.309 0 40 DIAB BrC1(Br)[C@@]23CC=CC[C@]12CCCC3 104130034 GSITYKYIQRKAAY-NXEZZACHSA-N 306.041 4.383 0 40 DIAB Cc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)c(C)c1 225173920 JTOQKBAPONLSIR-UHFFFAOYSA-N 301.817 4.158 0 40 DIAB Cc1cc(C)c(C(=O)N[C@H](C)COc2ccccc2C)cc1C 225649877 RVMMBVDPHJINAL-QGZVFWFLSA-N 311.425 4.118 0 40 DIAB CCCCOc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1 227157178 IJZSNQSHBWXRLR-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB CCOC(=O)c1ccc2nc(C)c(C/C=C(\C)Cl)c(O)c2c1 81147 AMBUUNLKSLJLMQ-BJMVGYQFSA-N 319.788 4.111 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 96439 DNUZUCXKTAOEPN-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB O=C(Nc1ccccc1F)/C(Br)=C/c1ccccc1 113582 YTPVPXINRINGGS-BENRWUELSA-N 320.161 4.200 0 40 DIAB Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)c1 177253 MGGMBSPWCNAPRC-CPNJWEJPSA-N 313.356 4.493 0 40 DIAB Cc1cccn2c(NC3CCCC3)c(-c3ccc(O)cc3)nc12 417903 ROSCLOPIZNZZOB-UHFFFAOYSA-N 307.397 4.370 0 40 DIAB CCCCC[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C 3337061 WQTCXHYCXLNKOU-CQSZACIVSA-N 313.445 4.188 0 40 DIAB C[C@@]12CCC(=O)C[C@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5028684 ZHDRIWJLYAMNQD-MLEIXFNDSA-N 304.474 4.349 0 40 DIAB CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5167139 QTVNPWWLYMFLEI-UIALTGQGSA-N 314.469 4.435 0 40 DIAB in-vitro CCOc1ccc(/C=C2\N=C(/C=C\c3ccccc3)OC2=O)cc1 5328233 KEHVNHPRFKBJJE-MARCMYERSA-N 319.360 4.095 0 40 DIAB CN(Cc1ccco1)C(=O)CCc1ccc(-c2ccccc2)o1 7988940 IJIBJBXRYQDENX-UHFFFAOYSA-N 309.365 4.131 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)O 8732957 GJNRUACGBZDNOP-HNNXBMFYSA-N 321.442 4.161 0 40 DIAB CCCN(CCC)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 9627505 IBYUYOXOHUFXIG-UHFFFAOYSA-N 323.444 4.059 0 40 DIAB O=C(OCc1ccccc1Cl)[C@H]1Cc2cc(Cl)ccc2O1 12818355 ZUFWEJSRCYKEIG-OAHLLOKOSA-N 323.175 4.040 0 40 DIAB CC(C)c1ccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)cc1 15554010 BSWRBFOWSPRLBE-UHFFFAOYSA-N 323.392 4.156 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)c1 20486395 QMXMTUHZCPYBOL-INIZCTEOSA-N 305.462 4.176 0 40 DIAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1C 22465192 IVWTZLSJHVISDT-LLVKDONJSA-N 322.330 4.160 0 40 DIAB C[C@@H]1c2cccn2CCN1Cc1csc(Nc2ccccc2)n1 28963215 FIUVKDZWHZEHRW-CQSZACIVSA-N 324.453 4.265 0 40 DIAB CC(=O)c1c(C)cc(C)c(COc2ccc3c(c2)OCO3)c1C 30952721 XDPQORCDTFCNGT-UHFFFAOYSA-N 312.365 4.122 0 40 DIAB O=C(Nc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 36396280 KFPZAFVASSPROA-AWEZNQCLSA-N 321.380 4.239 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 36705984 XKZGLKCSZPQPNT-UHFFFAOYSA-N 313.372 4.285 0 40 DIAB COc1ccc(CN(C)C(=O)Nc2cccc3c2CCCC3)cc1 40098196 MUISVOXPKJPROF-UHFFFAOYSA-N 324.424 4.238 0 40 DIAB O=C(Nc1cccc(CNCc2ccc(Cl)s2)c1)C1CC1 48340886 XDXWRYQXKXOLGD-UHFFFAOYSA-N 320.845 4.040 0 40 DIAB CCN(CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 66191657 OIHLMMZEAHDAQG-UHFFFAOYSA-N 323.223 4.458 0 40 DIAB CCOc1ccc2nccc(Nc3ccccc3C(=O)O)c2c1 78401515 OPZMZNPLRCZWIO-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C)c1nccs1 78602693 QXXLXGNVEDOFPH-LBPRGKRZSA-N 319.430 4.121 0 40 DIAB COc1cc(CN2CCC(c3cccs3)CC2)cc(OC)c1 85473467 AGNQAWFPZWUQJU-UHFFFAOYSA-N 317.454 4.145 0 40 DIAB CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OC 106957036 OQIGOYTVCXMFRB-UHFFFAOYSA-N 309.768 4.499 0 40 DIAB CCOC(=O)c1c(C(C)C)nc2oc(-c3ccccc3)cc2c1N 169681472 OAJZQBNQFZIXMI-UHFFFAOYSA-N 324.380 4.377 0 40 DIAB Cc1cccc(NC(=O)NCc2cncc(-c3ccsc3)c2)c1 206949075 NWLILGWFESALBA-UHFFFAOYSA-N 323.421 4.440 0 40 DIAB C[C@H](OC(=O)c1cccc(N)c1)c1ccc2c3c(cccc13)CC2 216850555 MZOLDGHKEPPNNP-ZDUSSCGKSA-N 317.388 4.439 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(OC)c1 224462963 MWTGSDHSPNIGCX-MAUKXSAKSA-N 321.461 4.185 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)c(C)n2)cc1 257173238 HJNNFVQXLBNLLN-HNNXBMFYSA-N 308.425 4.238 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)cc1 257173532 PXSGZKOUZHZHNR-HNNXBMFYSA-N 305.381 4.058 0 40 DIAB Brc1cncc(OC[C@@H]2C[C@H]2c2ccccc2)c1 575424359 ZKNVSMORQGRKIH-WFASDCNBSA-N 304.187 4.027 0 40 DIAB COc1cccc(OC)c1C(=O)Oc1ccc2ccccc2c1 344584 ARXDODIZXJNDFH-UHFFFAOYSA-N 308.333 4.076 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 364863 YTAWFBDTAWPLPI-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Cc1ccc(CSc2nnc(C3CCCCC3)n2C)cc1 422272 ARIRKQATFICMBJ-UHFFFAOYSA-N 301.459 4.464 0 40 DIAB O=C(OCC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 578960 UNCNZTZBBZDVDZ-UHFFFAOYSA-N 309.148 4.033 0 40 DIAB Cc1ccc([C@@H]2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 1016606 PGJFNBYODRCHKH-IFMALSPDSA-N 314.384 4.211 0 40 DIAB Clc1ccc(-c2cc(-c3ccccc3)nc3ncnn23)cc1 1465238 KDLUPDWEWKOAAE-UHFFFAOYSA-N 306.756 4.112 0 40 DIAB CCCCn1nc(NC(=O)CCC)c2cc3cccc(C)c3nc21 2419115 MJLWCVATMZIHIW-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 3524169 QBOLQYLTMSSIEO-NSHDSACASA-N 307.752 4.194 0 40 DIAB C[C@]12CCC(=O)C[C@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5028686 ZHDRIWJLYAMNQD-NSKBVBDPSA-N 304.474 4.349 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1nc2ccccc2s1 5062662 GMNNSBBPWOSRBF-LZBRBDLSSA-N 300.427 4.004 0 40 DIAB CCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 5213624 CXYCKDGSRYXKLN-UHFFFAOYSA-N 310.422 4.017 0 40 DIAB CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 5458327 HXILKNOMQLHFKF-LLVKDONJSA-N 323.458 4.178 0 40 DIAB Cc1ccc(F)c(NC(=O)c2ccc(Br)cc2)c1 5510061 MDAZHMZEEPIKLM-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC(C)c1ccc(CSc2nnc(-c3ccco3)n2C)cc1 5864929 ACWQKYNBVHNOAO-UHFFFAOYSA-N 313.426 4.491 0 40 DIAB O=C(CSC1CCCC1)Nc1nc(-c2ccccc2)cs1 5938654 KTNPPSWMWNEJQM-UHFFFAOYSA-N 318.467 4.424 0 40 DIAB Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 6510012 CFHSXCMMZVGKDI-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB CCc1ccc(C(=O)CSc2nc3ccccc3n2C)cc1 6518906 HWVQXRCSPRRTBR-UHFFFAOYSA-N 310.422 4.111 0 40 DIAB CC(C)c1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 8391755 BQGAGALJDULFDK-UHFFFAOYSA-N 321.424 4.495 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 10448989 RSLWEVDVSJFAOT-GFCCVEGCSA-N 317.841 4.410 0 40 DIAB CN(Cc1ccccc1)Cc1c(-c2ccco2)[nH]c2ncccc12 12222446 FFJZKTSKAWGPLU-UHFFFAOYSA-N 317.392 4.455 0 40 DIAB CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)s1 21902948 MZAVIYUDQPJPFL-UHFFFAOYSA-N 315.369 4.419 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCCC[C@@H]1C 23177775 XHVNYFIINRTCEU-JQWIXIFHSA-N 304.415 4.020 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)cc1 59843393 DNXSLYDBDJMTFX-MRXNPFEDSA-N 309.409 4.280 0 40 DIAB CCC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 65406050 CUTHWTWBNSUTKJ-UHFFFAOYSA-N 314.863 4.443 0 40 DIAB CCCCN1CCCC[C@H]1c1cnc(N2CCCC2)cc1C 72218885 WJONPTQEMHPACE-SFHVURJKSA-N 301.478 4.317 0 40 DIAB CC(=O)Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1 84690351 TWQHEXCGCUHWNT-UHFFFAOYSA-N 301.349 4.342 0 40 DIAB CCOc1cccc(Nc2nc3ccc(OC)cc3s2)c1 89065145 YLBXAZYNHMNXLC-UHFFFAOYSA-N 300.383 4.447 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100740766 WLQOPAUMPGYQCV-ZQOJQMTGSA-N 323.477 4.156 0 40 DIAB biogenic CC(C)Oc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 113969399 PPLAIURHJGBGOW-UHFFFAOYSA-N 318.804 4.449 0 40 DIAB COc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784358 MRGPVMFWGCFFEK-UHFFFAOYSA-N 318.587 4.157 0 40 DIAB Cc1cccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)c1 408531471 UCEYQJOCCOOTEG-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB C[C@@H]1C[C@H](c2ccc(Cl)c(N)c2)CN(C(=O)OC(C)(C)C)C1 1625361853 IVARZESEJKRXJQ-YPMHNXCESA-N 324.852 4.283 0 40 DIAB CC(C)C[C@H](N)C1(c2ccc(Br)cc2F)CCC1 1772715039 UDYPLXHQPLKHBY-AWEZNQCLSA-N 314.242 4.383 0 40 DIAB CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccc(C)c2)c1 365534 LPXFIJJJLSDNIU-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CC1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1 551878 WVOKTOSEXPDRBJ-UHFFFAOYSA-N 300.793 4.001 0 40 DIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1ccc(O)cc1)N2 818071 PTFPPPLPMSIGHK-IBGZPJMESA-N 305.381 4.153 0 40 DIAB CCC(CC)C(=O)Nc1ccccc1NC(=O)C(CC)CC 2749105 LQVXLFJPHHPIDB-UHFFFAOYSA-N 304.434 4.436 0 40 DIAB COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1Cl 3420829 JHYVKJDYXMFLPS-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB Cc1ccc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 4387739 PIJAFQFISMMRIZ-UHFFFAOYSA-N 320.388 4.478 0 40 DIAB O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 4496566 WWTZUSPHTGIYAE-UHFFFAOYSA-N 324.858 4.016 0 40 DIAB Cc1ccccc1[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543275 ZSAWYNDCMMBLEW-MGPLVRAMSA-N 312.438 4.035 0 40 DIAB CCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1C 5467425 QJVAXGRXHSPMBC-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CC(C)c1ccc(COc2ccc(Cl)cc2C(N)=O)cc1 7022725 ZKSMJIBDNORVCN-UHFFFAOYSA-N 303.789 4.141 0 40 DIAB CCCNCc1ccc(OCc2cccs2)c(OCC)c1 7262372 IBZXWIUASPNMHM-UHFFFAOYSA-N 305.443 4.225 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1SC 8041391 FPJXUUWLUTUTKL-AWEZNQCLSA-N 319.401 4.344 0 40 DIAB COC(=O)c1c(-c2cccs2)csc1NC(=O)C(C)(C)C 8844213 AVZUTMVKPFJWBC-UHFFFAOYSA-N 323.439 4.248 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 15682721 AKESYAHWXBFLFL-NSHDSACASA-N 323.820 4.276 0 40 DIAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)o1 15831760 RNUPEKMAHNBAKR-UHFFFAOYSA-N 313.328 4.163 0 40 DIAB CC1=CC(C)(C)NC(=S)N1c1ccc(Cl)c(Cl)c1 16607174 UQDYIPQBPHFMQB-UHFFFAOYSA-N 301.242 4.370 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 20010178 ZMABEJSMROLMNS-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)s1 22815371 DUCXCSZCZMXNFA-AWEZNQCLSA-N 306.818 4.378 0 40 DIAB CC(C)c1cc(C(=O)OCc2ccccn2)c2ccccc2n1 23038030 FAGHTZHGNSTRMK-UHFFFAOYSA-N 306.365 4.110 0 40 DIAB Cc1cc(CSc2ncc(-c3ccccc3)n2C2CC2)on1 25149321 GSKYBVCHDGELCH-UHFFFAOYSA-N 311.410 4.474 0 40 DIAB O=C(Nc1ccccc1SC(F)F)c1n[nH]c2ccccc12 32819544 TUJQEKAWTJOYKR-UHFFFAOYSA-N 319.336 4.130 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](C)c1ccccc1 35568035 OAFZPVSSZNZDSU-KGLIPLIRSA-N 317.816 4.027 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccccc1 36562752 MIXODYIDDGTTOR-OALUTQOASA-N 311.425 4.420 0 40 DIAB O=C(c1ccc(Br)cc1)c1ccc(F)cc1Cl 36941792 MJGZVEZGSLJTEJ-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 40074646 WVHOHVZXSWXMFK-SSDOTTSWSA-N 301.745 4.171 0 40 DIAB Cc1oc(C)c(C(=O)N[C@H](C)Cc2ccc(Cl)cc2)c1C 40112174 WIJMTNQKNUOQBG-SNVBAGLBSA-N 305.805 4.219 0 40 DIAB c1ccc(-c2cnn(Cc3cc(-c4cccs4)on3)c2)cc1 65948070 VVNVIRRSNVBWNY-UHFFFAOYSA-N 307.378 4.315 0 40 DIAB CCCCN1CCCC[C@H]1c1ccc(N2CCCC2)nc1C 72218945 WLCPRJDGRUXGOM-SFHVURJKSA-N 301.478 4.317 0 40 DIAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1C(C)C 72219240 NHHDBMBUGRQQRB-SFHVURJKSA-N 301.478 4.316 0 40 DIAB Cc1nc(C[S@](=O)Cc2ccc(Cl)c(Cl)c2)cs1 78556052 JNBGFPIBJGLRIZ-SFHVURJKSA-N 320.266 4.207 0 40 DIAB CSc1ccc([C@@H](O)c2ccccc2Br)cc1 95730115 BPUDMUHOYFHWOC-CQSZACIVSA-N 309.228 4.253 0 40 DIAB CCSCc1cccc(NC(=O)N(C)Cc2nccs2)c1 96446008 RCYHEXWYBHZMIS-UHFFFAOYSA-N 321.471 4.060 0 40 DIAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102401733 BJUBBPPBWGPCOW-MRHSLFKSSA-N 308.425 4.032 0 40 DIAB C[C@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]12 118926665 FHSSMFXPNPSOIA-VDBAHQDGSA-N 304.474 4.205 0 40 DIAB CC(C)C[C@H](C)N(C(=O)c1cnccn1)c1ccc2[nH]ccc2c1 128578781 SBPLOZGURLGEQW-AWEZNQCLSA-N 322.412 4.039 0 40 DIAB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc2c(c1)CCCC2 223015574 AJIUSRJWNHKZGL-FQEVSTJZSA-N 323.436 4.455 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(C)cn1)c1ccc(C)c(C)c1 225712627 OKMKAHUTQULBLS-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB Cc1ccccc1Oc1ccc(NC(=S)NC(C)C)cc1 408550489 HHVMNEQTBNDVPP-UHFFFAOYSA-N 300.427 4.482 0 40 DIAB CCc1nc(CC(C)C)c(-c2ccccc2F)cc1C(=O)O 585265236 KAJPWWKAKIFWAM-UHFFFAOYSA-N 301.361 4.347 0 40 DIAB OCc1ccc(Cl)c(Nc2ccccc2Br)c1 1857793651 UHBJBEHPOMZEQU-UHFFFAOYSA-N 312.594 4.338 0 40 DIAB COc1cc(-c2cc3ccc(O)c(C)c3o2)c(C)c(O)c1OC 2332243409 RWYOFJRARIYUBA-UHFFFAOYSA-N 314.337 4.145 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCC1(c2ccccc2)CCCC1 985724 MIQSLJUSHWNWPR-JLHYYAGUSA-N 323.411 4.467 0 40 DIAB Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@@H](C)O2 1328412 GSVVRVADFNASQV-LLVKDONJSA-N 319.763 4.102 0 40 DIAB Cc1ccccc1NCCOC(=O)Nc1ccccc1Cl 1671728 GROFEBWZMRVQHO-UHFFFAOYSA-N 304.777 4.309 0 40 DIAB CCC[C@@H](C(=O)OCCNC1CCCCC1)c1ccccc1 1710530 QFIRHCSZZJFCBV-GOSISDBHSA-N 303.446 4.036 0 40 DIAB Cc1ccc2c(CC(=O)NCc3ccc(Cl)cc3)coc2c1 3524897 GSTLAXYOMIJEGR-UHFFFAOYSA-N 313.784 4.254 0 40 DIAB CCc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)c1 4852745 UNAAGLRZOSJFIP-VQIMIIECSA-N 308.381 4.019 0 40 DIAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C)C1 7384107 GJPPZKHLUMREPU-MNOVXSKESA-N 315.244 4.052 0 40 DIAB O=C(c1ccc2c(c1)CCC2)N(Cc1ccco1)Cc1ccco1 8392030 YPQYZONKZNZEMJ-UHFFFAOYSA-N 321.376 4.204 0 40 DIAB C[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 8726745 QCRYDOVYNQDIMR-SNVBAGLBSA-N 324.758 4.179 0 40 DIAB Cc1cc(CN2CCCC[C@@H]2c2nc3ccccc3s2)on1 9446759 DOYSZWLCICPNHU-OAHLLOKOSA-N 313.426 4.320 0 40 DIAB Cc1cnc(NC(=O)CSc2ccc3ccccc3c2)s1 10626651 XMLOUKQTRGWESX-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCCO1 12976965 ATDQXTOVXYKJEE-MRXNPFEDSA-N 317.772 4.250 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(F)ccc1F 12980142 FLQHVFDHZPBYKV-VIFPVBQESA-N 311.715 4.024 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 13390915 ZSNLYIQSLSXNPI-IZZDOVSWSA-N 323.392 4.469 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2sccc2C1 14804073 PXJSYFFGGBFJGK-UHFFFAOYSA-N 324.449 4.137 0 40 DIAB O=C(Oc1cccc2ccccc12)c1cc(O)nc2ccccc12 16157863 HXRKTOZQKHBIPU-UHFFFAOYSA-N 315.328 4.313 0 40 DIAB O=C(NCCOc1ccc2ccccc2c1)Nc1ccccc1 17743900 ADYQGRLNNCELCH-UHFFFAOYSA-N 306.365 4.040 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1 20451415 ALELEQZRHZFYQG-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB O=C(COC(=O)c1ccc(-c2ccccc2)s1)c1ccccc1 21367611 IGBDXZGWMJWMFL-UHFFFAOYSA-N 322.385 4.455 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl 21695725 WQIWAPQSRXGADS-UHFFFAOYSA-N 319.763 4.158 0 40 DIAB Cc1noc(C)c1CSc1nc(Cc2ccccc2)c(C)[nH]1 23882760 OMZSWPFRPSXYEM-UHFFFAOYSA-N 313.426 4.206 0 40 DIAB CC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 26777481 CVJSOTWNQJLKGE-UHFFFAOYSA-N 311.312 4.262 0 40 DIAB CC(C)(C)c1ccc(Oc2cccc([C@@H](N)CC(=O)O)c2)cc1 44216271 XHJLREKPQSDIJK-KRWDZBQOSA-N 313.397 4.251 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)NCCC1=CCCCC1 44885368 FHDMHGRSNCBBPB-HNNXBMFYSA-N 301.430 4.023 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1csc(-c2ccco2)n1 104801534 JKUQEQMZBSRCKR-AVGNSLFASA-N 317.410 4.273 0 40 DIAB Cc1ccc(/C=C/C(=O)NCc2ccc3ccccc3c2)cc1 222750808 WIKMDJLSUJBFDL-ACCUITESSA-N 301.389 4.478 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224961174 PRZBTVKCEALGOU-UHFFFAOYSA-N 322.452 4.475 0 40 DIAB CCCCc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1 225127644 OYSVCDNACMSTJB-IBGZPJMESA-N 312.409 4.412 0 40 DIAB CC(C)O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132610 DGUZAUVFGJUJKW-MRXNPFEDSA-N 316.422 4.259 0 40 DIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1 225907035 CYBQWHQTWIYWGC-GOSISDBHSA-N 322.449 4.184 0 40 DIAB CC(C)n1cc(Br)c(-c2ccc(F)cc2F)n1 248179056 XMWXNGHVIWVMLJ-UHFFFAOYSA-N 301.134 4.172 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cccc(NC(=O)C(C)C)c1 477758 HACBMVSQJYCBKE-UHFFFAOYSA-N 324.424 4.404 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)c(C)c1 570439 OEQHLJPXSPEVKT-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB C=C1c2[nH]c3cc(OC)ccc3c2CCN1Cc1ccccc1 1581489 VRAWIKRENBKLAC-UHFFFAOYSA-N 304.393 4.206 0 40 DIAB Nc1c(Cl)cc2c(c1Br)Cc1cc(F)ccc1-2 1638394 JPSWVMAUFWCWFZ-UHFFFAOYSA-N 312.569 4.395 0 40 DIAB C=CN1CCN(c2ccccc2)[P@@]1(=O)Oc1ccccc1 1643539 JXXAMGMQTICQRW-NRFANRHFSA-N 300.298 4.139 0 40 DIAB COc1ccccc1OCCCC(=O)Nc1ccc(C)c(C)c1 1892971 NZXKIKBMPGDYSY-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CCCOc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1 2370159 UEYZMEJPQPYKTN-UHFFFAOYSA-N 321.376 4.477 0 40 DIAB O=C(CSc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 4108455 VZGWKYURYATOCU-UHFFFAOYSA-N 318.348 4.177 0 40 DIAB COc1c(C)cc(C(=O)c2ccc(Br)cc2)cc1C 4241678 BHJZYHVNIYTBNZ-UHFFFAOYSA-N 319.198 4.306 0 40 DIAB COc1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1OC 4506069 IAZWOYFMQJUDLW-ACCUITESSA-N 322.428 4.423 0 40 DIAB O=C(Cc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 4741200 MQJCYXXXEOYTKS-UHFFFAOYSA-N 317.388 4.447 0 40 DIAB Cc1ccc2c(CC(=O)NCc3cccc(Cl)c3)coc2c1 5679251 FOPYJFBKRLCFSU-UHFFFAOYSA-N 313.784 4.254 0 40 DIAB Cc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 6478882 ZDWVVVRYKUXRRV-UHFFFAOYSA-N 307.437 4.019 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c1 6811315 RQYBLOAVXKCXGR-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccccc1 8470853 BTDNSZFBLOIAGY-UHFFFAOYSA-N 322.408 4.001 0 40 DIAB CCN(Cc1ccccc1)Cc1c(C)nc2ccc(F)cc2c1O 8717113 GCKPMVBATPGXNP-UHFFFAOYSA-N 324.399 4.410 0 40 DIAB CC(C)C[C@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 8719852 DHIGGTSWPVKQCN-KRWDZBQOSA-N 322.412 4.472 0 40 DIAB COc1ccc2cc(C(=O)Nc3cccc(C)c3C)c(C)nc2c1 10403987 WETBRTYFOHJGBT-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB O=C(CC1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1 11361026 HESQDJSJPVBDSU-UHFFFAOYSA-N 312.369 4.051 0 40 DIAB CCc1nc(NC(=O)c2cc(C3CCCCC3)no2)sc1C 12198572 IDGMMLMIIPWKLW-UHFFFAOYSA-N 319.430 4.302 0 40 DIAB Cc1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 12641823 RHYNLNMKHHGIKE-UHFFFAOYSA-N 302.377 4.238 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(F)c1 12943197 JQMYZQACRTUNCP-FYCOFBDGSA-N 315.413 4.436 0 40 DIAB Cc1ccc([C@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131638 QGEWRBICYGEBOT-MSOLQXFVSA-N 304.397 4.041 0 40 DIAB COc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1OC 15992375 FQBPFNBHPFHKCP-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB O=C1CCc2c(OCc3coc(-c4cccs4)n3)cccc21 22134806 WMDCERLZESHCRE-UHFFFAOYSA-N 311.362 4.111 0 40 DIAB CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)cc1 25738391 KJNCXRHZPFUQHH-GOSISDBHSA-N 315.388 4.034 0 40 DIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NC(C)(C)C 31867853 BPLHCZJOSAMVBU-UHFFFAOYSA-N 308.834 4.300 0 40 DIAB Cc1cnc(C(=O)Nc2ccc(SC3CCCC3)cc2)cn1 32809463 SVABWKSDHVUYLL-UHFFFAOYSA-N 313.426 4.072 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)c1 32893536 FIGKCGLALJEETD-WBMJQRKESA-N 314.385 4.076 0 40 DIAB CCC(=O)Nc1cc(-c2nc(-c3ccccc3)no2)ccc1C 35146728 BEZFKTQQNDLMRJ-UHFFFAOYSA-N 307.353 4.061 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 40095560 GWFZAECCVSSJSI-LSDHHAIUSA-N 302.418 4.129 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)SCC(O)=N2 44893381 IESPUGYWEZQKBC-OAHLLOKOSA-N 301.415 4.266 0 40 DIAB Clc1ccc(OCCSc2nncs2)c(Cl)c1 47822849 WJWMWAIASOKVHW-UHFFFAOYSA-N 307.227 4.016 0 40 DIAB Cc1ccccc1C[C@@H](C)NC(=O)Cn1c(C)cc2ccccc21 48285850 FZGTVDZUEQOQFJ-MRXNPFEDSA-N 320.436 4.006 0 40 DIAB CN(C(=O)[C@H]1CC=CCC1)[C@H](c1cccc(F)c1)c1ccccn1 69921238 NEIKONAKJJSKLD-HNAYVOBHSA-N 324.399 4.125 0 40 DIAB Cc1ccc2nc(-c3cncc(Br)c3)oc2c1C 73638624 NJMFYWBPBFKRAA-UHFFFAOYSA-N 303.159 4.269 0 40 DIAB C[C@H](NC(=O)CCc1ccco1)c1ccc(-c2cccnc2)cc1 81001185 BQQJAXIUHMYXPN-HNNXBMFYSA-N 320.392 4.152 0 40 DIAB C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccs1 90667858 HTBRMQZBDPHVJK-GJZGRUSLSA-N 315.486 4.019 0 40 DIAB C[C@@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 96478830 RAEJFVAKNNPRJS-BMLIUANNSA-N 306.331 4.301 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H](C)c1ccccc1 224434075 SZBUTVMNDXTTDI-AEFFLSMTSA-N 311.425 4.072 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(F)c1 225143336 BNZCCAWBMJIBJN-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB CC(C)Oc1ccc(CCCNC(=O)NC2CCCCC2)cc1 225756624 JSCZTTXTSZFGQB-UHFFFAOYSA-N 318.461 4.038 0 40 DIAB Cc1nnc(SCc2cncc(F)c2)n1[C@@H]1CCC[C@H](C)C1 330031553 ADTMGPGLWBRDHC-XHDPSFHLSA-N 320.437 4.164 0 40 DIAB CC[C@H](C)NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 408912809 RNIBGJMMVJTHCA-FHHIAAGZSA-N 309.409 4.151 0 40 DIAB CCCc1nc(-c2nc(O)c3c(C(C)C)csc3n2)co1 576456270 FMYRGPIFNJTIDH-UHFFFAOYSA-N 303.387 4.128 0 40 DIAB CN(C)CCCOc1ccccc1Oc1cccc(Cl)c1 585266243 VXYYTUTUPVDMFN-UHFFFAOYSA-N 305.805 4.463 0 40 DIAB CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3n2)o1 679410099 BQVGKGUMVPXCSM-INIZCTEOSA-N 323.396 4.086 0 40 DIAB Cc1c(-c2ccccc2)[nH]c2cccc(Br)c2c1=O 685938313 GVBCJLSOFQBKKW-UHFFFAOYSA-N 314.182 4.266 0 40 DIAB O=C(OC1CCC(C(=O)Oc2ccccc2)CC1)c1ccccc1 1675126 BZNWDSNWVKJICZ-UHFFFAOYSA-N 324.376 4.008 0 40 DIAB Cc1csc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)n1 3429492 XLLFCLVMVZGIKQ-UHFFFAOYSA-N 306.818 4.165 0 40 DIAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1 4946319 JYOCFJAVCCRLHN-MVBLQPKNSA-N 314.425 4.180 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Nc1c[nH]c2ccccc12 5299904 UFVRTUWUSSFKRY-CQSZACIVSA-N 307.397 4.311 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)NC1CCCCCC1 5380106 AXOHIARNTCBROA-UHFFFAOYSA-N 303.446 4.202 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cccc(Cl)c1 5467025 XGAMINBELZRLFP-UONOGXRCSA-N 311.853 4.440 0 40 DIAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1-c1ccccc1 5507431 RYWXPAPEGXQSMO-CQSZACIVSA-N 323.392 4.024 0 40 DIAB Cc1csc(NC(=O)c2oc3c(Cl)cccc3c2C)n1 6652526 JXWTWGCFAUNFFU-UHFFFAOYSA-N 306.774 4.412 0 40 DIAB CC1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 6655081 BMKNYTVCODXFTC-UHFFFAOYSA-N 300.229 4.231 0 40 DIAB c1csc(-c2noc(CSc3nc4ccccc4o3)n2)c1 7164106 TWCYKPDJBALZBF-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB O=C(CCc1ccccc1F)Nc1cccc(Br)c1 8266834 CDDKUISKEQSJKA-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(OC(F)F)c1 11203381 SLYWLVCAHNGZIK-MRXNPFEDSA-N 317.335 4.169 0 40 DIAB Cc1nc2cc(NC(=O)c3cc(Cl)ccc3F)ccc2o1 12748853 IZJIFSFGQMLUCJ-UHFFFAOYSA-N 304.708 4.181 0 40 DIAB COc1ccc2cc(CN3C[C@H](C)C[C@@H](C)C3)c(Cl)nc2c1 13018509 VYRKDMBDQWARKI-CHWSQXEVSA-N 318.848 4.375 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2)c1C 14754166 DHXQTLDJSRCAGW-ZDUSSCGKSA-N 301.411 4.198 0 40 DIAB CSc1ccccc1C(=O)NCCSCc1ccccc1 18149966 SNZUXVYZIFFPNQ-UHFFFAOYSA-N 317.479 4.072 0 40 DIAB Fc1ccccc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19349017 ZLEOOIZNIZLEQH-MRXNPFEDSA-N 309.388 4.082 0 40 DIAB C[C@@H]1CCc2onc(C(=O)Nc3ccccc3C(F)(F)F)c2C1 20572147 COYOWEVHNUBMHT-SECBINFHSA-N 324.302 4.071 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2nc3ccccc3s2)C1(C)C 25155220 NCZIUHKCUFIPEF-BLLLJJGKSA-N 314.454 4.151 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)cc1F 30863648 FBBJYKMJQVUODT-KRWDZBQOSA-N 319.351 4.378 0 40 DIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccs1 36619615 YUPXNFMBYVLWII-QGZVFWFLSA-N 323.421 4.093 0 40 DIAB C[C@@H]1C[C@@H](C)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 41362965 ILCGTASCJZFVMQ-CHWSQXEVSA-N 304.821 4.473 0 40 DIAB CCOc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 49467861 RHKUOIHYROZUCS-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc(NC2CC2)s1 58987099 XTYMRABYNLZBPB-ZDUSSCGKSA-N 303.456 4.282 0 40 DIAB Fc1cc(F)cc(NC(=S)Nc2cc(F)cc(F)c2)c1 71761036 RBLNNYWYDXVVBA-UHFFFAOYSA-N 300.280 4.052 0 40 DIAB COc1cc(NC(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1 75109428 OPQUDNHWLDBQNS-UHFFFAOYSA-N 308.422 4.040 0 40 DIAB COC(=O)c1ccc(-c2sc3nc(C)cc(C)c3c2N)s1 78546876 IEBDDNGSKPJNEC-UHFFFAOYSA-N 318.423 4.010 0 40 DIAB CCCN(C(=O)c1ccoc1)[C@H]1C[C@H](OCC)C12CCCCC2 78874865 YCJKRRATOMSJDY-IRXDYDNUSA-N 319.445 4.260 0 40 DIAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCCc2ccccn2)c1 89616425 QOXPIPVCBYPERF-FQEVSTJZSA-N 322.452 4.385 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1cccc3ccccc13)C2=O 100576628 SOVGKWQRCJRBNZ-FOIQADDNSA-N 307.393 4.156 0 40 DIAB CC1CCC(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 102307576 WTHLPVOXXPMQIJ-WEYHNXFGSA-N 309.881 4.259 0 40 DIAB CC1=C(O)C(C)(C)[C@@H](c2ccc(Cl)cc2Cl)OC1=O 107570225 LUNDPZDBUWOVML-GFCCVEGCSA-N 301.169 4.450 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2cccc(Cl)c2)c1 225197544 VPIFKKPQVCFMEN-UHFFFAOYSA-N 301.817 4.395 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)c(N)c1 226265712 JWSYMEIQQDGQMK-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 409011456 GQBZUHSZJCMMOV-LQGZHCLWSA-N 313.781 4.314 0 40 DIAB COc1ccc(C(F)(F)F)cc1C(=O)C(Cl)(Cl)Cl 575360867 NWRISRUVKLOXGH-UHFFFAOYSA-N 321.509 4.267 0 40 DIAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(C)cc3)c(O)cc12 202661 SLBHRCLGSJLTPP-UHFFFAOYSA-N 323.392 4.344 0 40 DIAB aggregator COc1ccc(NC(=O)c2ccc3ccccc3c2)c(OC)c1 335442 ZKRLAWDPCNEVMN-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCCCC1 371936 OPVFMEIJHOJTPM-HNNXBMFYSA-N 303.446 4.154 0 40 DIAB Fc1ccccc1CSc1nnc(-c2ccccc2F)o1 415744 JKXVTPUXJRLCIF-UHFFFAOYSA-N 304.321 4.307 0 40 DIAB Fc1ccc2[nH]c3c(NCCc4ccccc4F)ncnc3c2c1 544147 DAHZDAOXPKQAHG-UHFFFAOYSA-N 324.334 4.044 0 40 DIAB COc1ccccc1NC(=O)c1cc(Cl)nc2ccccc12 546889 UGBKLDLDACJMGE-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CN[C@H](C)[C@H](Nc1cc(OC)cc2cccnc12)c1ccccc1 1656110 LNRSSOUKXAJCEX-KUHUBIRLSA-N 321.424 4.005 0 40 DIAB C[C@H](COc1ccccc1C(=O)c1ccccc1)N1CCCCC1 2023140 GXXVJKIOCGZKIE-QGZVFWFLSA-N 323.436 4.171 0 40 DIAB O=C(Nc1ccc(F)cc1F)C1(c2ccccc2)CCCC1 2512620 GTNDLXIMHJCEGA-UHFFFAOYSA-N 301.336 4.415 0 40 DIAB O=c1cc(-c2ccc(O)cc2)oc2c(Cl)cc(Cl)cc12 2573873 YAEKDRXDCYQICL-UHFFFAOYSA-N 307.132 4.472 0 40 DIAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NC(C)(C)C)cc1 4691192 IQWITJPSBADRDD-CQSZACIVSA-N 318.461 4.080 0 40 DIAB CCCCCc1nnc(NC(=S)Nc2ccccc2)s1 5261188 UKDBAZSGBHWPKH-UHFFFAOYSA-N 306.460 4.080 0 40 DIAB CCCOc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 6569874 OPLZUQSNNZICRF-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)o1 6587913 ADMOUTKKWWPINU-UHFFFAOYSA-N 320.320 4.242 0 40 DIAB O=C(/C=C/c1cccs1)OCc1ncc(-c2ccccc2)o1 7553415 VVLAMEKRTYTVAJ-CMDGGOBGSA-N 311.362 4.160 0 40 DIAB COc1cccc(CNC(=O)C2CCC(C(C)(C)C)CC2)c1 8130014 HWVCGSKZUNSITM-UHFFFAOYSA-N 303.446 4.164 0 40 DIAB Cc1cccc(CSc2nc3ccccc3c3nc(C)nn23)c1 9052068 LOTSEQUXVIOPSR-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB CN(Cc1nc(-c2ccccc2)no1)Cc1ccc(Cl)s1 12761964 XPRUMRLNBPOZTK-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB Cc1nc2cc(F)ccc2cc1C(=O)NCCC1=CCCCC1 12851916 NEGLMXXYFBGUQV-UHFFFAOYSA-N 312.388 4.303 0 40 DIAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 12892224 LWRRCNJPEFWMPU-KRWDZBQOSA-N 315.800 4.230 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1Cl 22526409 KUZSKNQFXIVBCO-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB C[C@H]1Cc2ccccc2N1Cc1coc(-c2ccc(F)cc2)n1 24224489 NYPXCKHLKOZBOE-ZDUSSCGKSA-N 308.356 4.432 0 40 DIAB CC(C)CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 25706591 HICJEPHUJRKRJF-UHFFFAOYSA-N 320.392 4.394 0 40 DIAB O=C(Nc1ccccc1)Nc1cc2c(cc1Cl)OCCCO2 32854053 YERZWCBVADPIJM-UHFFFAOYSA-N 318.760 4.145 0 40 DIAB CC[C@H](C)C(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 36398054 XQFVWRBTECQVKF-HNNXBMFYSA-N 312.413 4.153 0 40 DIAB Cc1oc(C)c(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)c1C 40112172 WIJMTNQKNUOQBG-JTQLQIEISA-N 305.805 4.219 0 40 DIAB Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 45351326 IBUHDDLETPJVGP-UHFFFAOYSA-N 304.437 4.180 0 40 DIAB O=C(C=C1CCCCC1)Nc1cccc(OCc2ccccn2)c1 55993449 KSWNBLVVBLHRPT-UHFFFAOYSA-N 322.408 4.490 0 40 DIAB CCCOc1ccc(NC(=O)N[C@H](C)c2cccnc2)c(C)c1 56747453 MKYPJJDMQAUQHE-CQSZACIVSA-N 313.401 4.062 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 59351217 NGJPLVPRZYDFNW-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Cc1nnc([C@H](C)N2Cc3ccccc3-c3ccccc3C2)o1 69518933 PCGIWPQYBXUAHE-ZDUSSCGKSA-N 305.381 4.122 0 40 DIAB CC(C)CCC(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 69530275 QGQXUMMTYDZWOL-LJQANCHMSA-N 314.404 4.205 0 40 DIAB CN(C)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761717 MLXNYFQZILGQOB-UHFFFAOYSA-N 323.824 4.354 0 40 DIAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(N(C)C)ccc12 79006575 BOOUGLGNXFCTBD-UHFFFAOYSA-N 313.784 4.488 0 40 DIAB Cc1sc2ncnc(N[C@H](C)c3nc4ccccc4[nH]3)c2c1C 95348625 WEFQCXFYCLXEBT-SNVBAGLBSA-N 323.425 4.358 0 40 DIAB CCOCc1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 95451715 VBDJCGCMHJCOEQ-IBGZPJMESA-N 309.409 4.355 0 40 DIAB C[C@@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 96478895 QOBIWRZHAAGKPX-SMDDNHRTSA-N 314.376 4.010 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1ccccc1Br 96655958 JFCWRRYZBNWIGM-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB Cc1cccc2c1[C@@H](C)C[C@H]2NCc1ccc(C2OCCO2)cc1 97032487 CKRLGTWWCJYREO-HNAYVOBHSA-N 323.436 4.379 0 40 DIAB O=C1OC2(c3ccccc3)[C@H]3CCC[C@H]2C13Sc1ccccc1 100586106 OTDAVARGMRVVJF-NXMBOHNASA-N 322.429 4.400 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1cccc(OC)c1 224463014 MWTGSDHSPNIGCX-QAPCUYQASA-N 321.461 4.185 0 40 DIAB Cc1ccc(S[C@@H](Cc2cccc(C)c2C)C(=O)O)cc1 225023868 YFXDHEYXXXEBPY-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB O=C(c1ccc(F)c(C(F)(F)F)c1)C(F)(F)Br 575361316 WYMGPBZRXRXNLD-UHFFFAOYSA-N 321.014 4.015 0 40 DIAB Fc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1 109810 CFTJZAHIDNOCFU-UHFFFAOYSA-N 307.372 4.426 0 40 DIAB CC(=C/c1ccccc1)/C=C1/N=C(c2ccc(F)cc2)OC1=O 315801 FTMQFRFRWJMADO-RTNVFWHRSA-N 307.324 4.117 0 40 DIAB Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C 362449 PSQMCXIUKAFHBS-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB Cc1cccc(CSc2nnc(-c3cccs3)n2C)c1 523849 PMKKYYBGMZFSRT-UHFFFAOYSA-N 301.440 4.144 0 40 DIAB CCOC(=O)[C@]1(C)Sc2ccccc2N=C1c1ccccc1 1608446 UGHPKSQTFOMNGA-GOSISDBHSA-N 311.406 4.235 0 40 DIAB C[C@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1 3217228 UTZSZMDQQUJVML-AWEZNQCLSA-N 320.392 4.367 0 40 DIAB Cc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3554494 FUQMJEVSIUHHDD-UHFFFAOYSA-N 317.816 4.122 0 40 DIAB CC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2C)cc1 3605634 ZEJBWVODGPGQHO-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1 3614440 RLQYROREJCOKGN-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB CCCSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 4649956 XKUYMUTZXMDQEW-UHFFFAOYSA-N 316.451 4.462 0 40 DIAB O=C(Nc1ccc(F)cc1)c1ccc(COc2ccccc2)o1 5013732 PKGRHZMXWCXECV-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)C12CC3CC(CC(C3)C1)C2 5494873 LVFCPLFLSZJNQQ-UHFFFAOYSA-N 316.470 4.177 0 40 DIAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 5557514 CEBZVRDOEQOYOX-OAHLLOKOSA-N 319.408 4.068 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(s1)CCCC2 6847970 MHSSLMLCNHWXAA-AWEZNQCLSA-N 313.466 4.378 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1ccc(F)cc1 6883582 JZCQIQPXYAUJFI-UHFFFAOYSA-N 317.404 4.159 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)c(C)c1 8041751 QMWGUNAVZMMKIS-INIZCTEOSA-N 313.397 4.108 0 40 DIAB C[C@H](Nc1ncnc2sc3c(c12)CCC3)c1ccc(F)cc1 8063264 GDKWJFJUWDABNT-JTQLQIEISA-N 313.401 4.492 0 40 DIAB C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)NC1CCCC1 8920635 MKJPPEXGUVLTLJ-CYBMUJFWSA-N 322.408 4.147 0 40 DIAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)cc1 9482305 RQUMHSYNUISFBG-AWEZNQCLSA-N 313.397 4.155 0 40 DIAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1 9895025 HWDHMEZOIJGIDP-HYSAVQALSA-N 307.393 4.072 0 40 DIAB COc1ccc(NC(=O)CCCSc2ccc(F)cc2)cc1 10218128 DGMKGVKCLFUPTP-UHFFFAOYSA-N 319.401 4.345 0 40 DIAB CCC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 11692485 JRNGOWRXVZESGX-IBGZPJMESA-N 324.424 4.257 0 40 DIAB Cn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc21 12546278 QQTWHCKTIWNIFY-UHFFFAOYSA-N 322.842 4.263 0 40 DIAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1 12925669 VWWQQTGYLRLCKK-SFHVURJKSA-N 310.397 4.373 0 40 DIAB CCOC(=O)c1c(C)nn(-c2ccccc2)c1-c1ccccc1 16683061 VCKQBRCWWBKIMY-UHFFFAOYSA-N 306.365 4.024 0 40 DIAB COc1cccc(O)c2c(C)[n+](-c3ccc(C)c(C)c3)c(C)c1-2 17163404 QGYQPWHTLHHOPA-UHFFFAOYSA-O 308.401 4.016 0 40 DIAB CC(C)CCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736622 GXLKARDXJJWXIZ-UHFFFAOYSA-N 316.376 4.085 0 40 DIAB CCC(CC)C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28231185 JMOOLROAGCEMLK-UHFFFAOYSA-N 323.799 4.099 0 40 DIAB COC(=O)c1c(O)cccc1CCc1ccc2ccccc2c1 35973628 RLIXFDIMXMACNI-UHFFFAOYSA-N 306.361 4.117 0 40 DIAB Cc1ccc(CC(=O)Nc2cccnc2Oc2ccccc2)cc1 40089977 SYQSQIOUNIQESW-UHFFFAOYSA-N 318.376 4.364 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(-c2cnco2)cc1 47411416 CPJHOEDIJFAAKM-UHFFFAOYSA-N 304.349 4.083 0 40 DIAB Cc1cccc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)c1 58203144 SVJFSOSPTGSALT-OAQYLSRUSA-N 312.356 4.463 0 40 DIAB CC(C)c1ocnc1C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 71914787 CJVFTAGVWXQANP-GFCCVEGCSA-N 320.820 4.155 0 40 DIAB O=C(/C=C/c1ccsc1)N1CCC(c2cccs2)CC1 75157058 DSOWZZDYXKVGSO-ONEGZZNKSA-N 303.452 4.229 0 40 DIAB CCC1CCC(N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 95996305 VVUCTHMEWLWGQH-PIMMBPRGSA-N 317.399 4.199 0 40 DIAB O=C(/C=C/c1ccoc1)N(Cc1ccsc1)Cc1ccco1 96120264 FKAAVJGRQAASOK-ONEGZZNKSA-N 313.378 4.176 0 40 DIAB COC[C@@H](N[C@@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 97017188 QDQIJUZWMADYLC-WCQYABFASA-N 322.474 4.380 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)cc1 113954006 YXLYXTWBRXUKJA-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)cc1 225701956 IPLHVRAPOKRXKZ-SFHVURJKSA-N 307.434 4.399 0 40 DIAB COc1cccc(-c2cn3c(n2)sc2cc(OC)ccc23)c1 151512 IVZCAUJMXJRSCI-UHFFFAOYSA-N 310.378 4.233 0 40 DIAB CC(=O)O[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 162185 RBLRENIPDVSMGP-VIFPVBQESA-N 301.984 4.314 0 40 DIAB Cc1cc(C)cc(-c2nn3c(-c4ccccc4)nnc3s2)c1 385004 AFCGQMUUBJTOOW-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB Cc1ccc(-c2nnc3sc(-c4cccc(C)c4)nn23)cc1 532102 BECLWMUHBHFLHT-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC(C)C 566997 ZRCAQHGGJVLUSX-UHFFFAOYSA-N 309.369 4.183 0 40 DIAB COc1cnc(SC)nc1Oc1cc(Cl)cc(Cl)c1 1391930 KDIVQEQISQYXHD-UHFFFAOYSA-N 317.197 4.306 0 40 DIAB CCOC(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 3235488 AEVDVMJFPHGBNS-UHFFFAOYSA-N 301.186 4.293 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C)cc2)n1 3236125 IMXNJYBNXXXNFC-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1noc(C)c1COC(=O)c1ccccc1-c1ccccc1 4415060 LBZPJNOXYZWYSN-UHFFFAOYSA-N 307.349 4.315 0 40 DIAB CCOc1c(Cl)cc(C(=O)O)cc1OCc1ccccc1 4419135 UPHRBFBDTMEAJH-UHFFFAOYSA-N 306.745 4.016 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5028683 ZHDRIWJLYAMNQD-OSWKXKNPSA-N 304.474 4.349 0 40 DIAB CCOc1ccc(OCCCC(=O)Nc2ccc(F)cc2)cc1 5558742 LQORRBJDPOVNBV-UHFFFAOYSA-N 317.360 4.022 0 40 DIAB CCc1c(C)sc2[nH]c(=S)n(-c3cccc(C)c3)c(=O)c12 5695886 GRBZFJIXUSVHPD-UHFFFAOYSA-N 316.451 4.289 0 40 DIAB COc1ccc(C)cc1NC(=O)c1ccccc1C(F)(F)F 5701435 PQALYYGULOVWBT-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB CC(C)Cn1c(=S)[nH]c2sc(-c3ccccc3)cc2c1=O 6459381 VPRJYKLDROIXQI-UHFFFAOYSA-N 316.451 4.444 0 40 DIAB Cc1ccc2[nH]c3c(=O)n(CCC4=CCCCC4)cnc3c2c1 8686200 IIOWCECZHXSAQS-UHFFFAOYSA-N 307.397 4.077 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccccc1 9335786 YSRBEKCSXKOJKO-GFCCVEGCSA-N 318.804 4.096 0 40 DIAB O=C1c2ccccc2N[C@H](c2cc3ccccc3o2)N1C1CC1 9339249 DNVZGOVGNOYYPN-SFHVURJKSA-N 304.349 4.162 0 40 DIAB Cc1ccccc1CSCC(=O)N1CCCc2ccccc21 10449441 FQDJDXNCLOTUDA-UHFFFAOYSA-N 311.450 4.208 0 40 DIAB O=C(c1cccs1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188014 MTXPXWPGUHFLNQ-INIZCTEOSA-N 322.433 4.316 0 40 DIAB O=C(/C=C\c1ccccc1)N1CCC(Cc2ccccc2)CC1 12376247 VBKQQQJPTMRHDP-QXMHVHEDSA-N 305.421 4.181 0 40 DIAB CSc1ccccc1NC(=O)CCc1c[nH]c2ccccc12 12754378 KUXOMYDQZFETFH-UHFFFAOYSA-N 310.422 4.461 0 40 DIAB Cc1cc(C)c(CNCc2ccc(N3CCCC3=O)cc2)c(C)c1 15580798 UXMRLSLFTUQFEI-UHFFFAOYSA-N 322.452 4.028 0 40 DIAB CSc1ncccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 18136036 RPFOYCXPZPUAQK-OAHLLOKOSA-N 318.417 4.070 0 40 DIAB COc1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1 19908984 JUKAFDSJLWIQNQ-GFCCVEGCSA-N 320.230 4.309 0 40 DIAB COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1N 20345214 MONRYUWOARFDHA-IZZDOVSWSA-N 310.397 4.053 0 40 DIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 20451338 IXVKMOROCMYJBS-KRWDZBQOSA-N 317.360 4.021 0 40 DIAB O=C(Cc1ccccc1Cl)N1CCCc2cccc(F)c21 24984155 AMTVFMNGCFQCPS-UHFFFAOYSA-N 303.764 4.001 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 32522174 JBURVMJEVPLEND-HOTGVXAUSA-N 313.466 4.396 0 40 DIAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 32768310 GIOFIVGVWWVIRL-UHFFFAOYSA-N 316.360 4.041 0 40 DIAB CC[C@H](C)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42774570 QCMRKGDUFPJXTK-AAEUAGOBSA-N 312.251 4.093 0 40 DIAB CCN(C(=O)CN1CCC[C@H]1c1ccccc1C)c1ccccc1 48353973 NSYFHNRPUKBONW-FQEVSTJZSA-N 322.452 4.185 0 40 DIAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 54362825 PMJIOQWBCMSBIT-UHFFFAOYSA-N 309.148 4.033 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1 70462872 YZKOJOXWHSMMIN-UHFFFAOYSA-N 302.377 4.497 0 40 DIAB Cc1nnc([C@H](C)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)o1 71902384 GKWQQQGPFMAPBR-BQBZGAKWSA-N 318.179 4.236 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C)cc1 78458746 FXLXHUOWVKOSSX-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CC[C@H](c1ccccc1)S(=O)(=O)Cc1cc(C)ccc1C 95962037 ULKIFAVRRFTGIR-GOSISDBHSA-N 302.439 4.370 0 40 DIAB C[C@H](NCc1cccc(O)c1)c1cc(Br)ccc1F 95967596 ULPIAKIJQIHZML-JTQLQIEISA-N 324.193 4.145 0 40 DIAB Cc1cc(C)c(NC(=O)c2cccc3ccc(C)nc23)c(C)n1 96492122 UJKFGUWICHDBHG-UHFFFAOYSA-N 305.381 4.116 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1 98081470 OXMJNNNWMRVDBI-WZMLOTFKSA-N 310.397 4.121 0 40 DIAB C[C@H](NC(=S)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102307125 BTLFZBTVLJYAIR-SZVRAQGESA-N 302.487 4.036 0 40 DIAB Cc1occc1SCC(=O)N1CCC[C@@H]1c1cccs1 131451007 JINSWEKEWYPFPH-GFCCVEGCSA-N 307.440 4.105 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1ccc2sncc2c1 188235145 OUZVORMXSHFAKN-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1C 223023452 BXQCGUPKCALCRO-UHFFFAOYSA-N 313.397 4.433 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225079953 DWPPGGLSFCFHKX-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1C 225626852 VNGLSOCBESHZBS-CQSZACIVSA-N 305.418 4.070 0 40 DIAB C[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@H]1C 247883613 RYNAYTUYWPFNAP-ZQIUZPCESA-N 313.445 4.035 0 40 DIAB CCc1ccc([C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3n2)o1 679410100 BQVGKGUMVPXCSM-MRXNPFEDSA-N 323.396 4.086 0 40 DIAB Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc(Cl)cc1 86735 RXNAWJOUYWUNJU-UHFFFAOYSA-N 316.744 4.242 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 304685 KHFIXHHKEXWCOT-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1ccccc1[C@H]1Nc2ccc(C)cc2-c2cc(C)nn21 817736 OXVPBLHCFGYGPO-IBGZPJMESA-N 305.381 4.148 0 40 DIAB Cc1cc(C)cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 1391273 DMEKZZAZZYDKGA-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)CCCc2ccccc2)cc1 1456718 SYKOHTPWGQLRIF-MRXNPFEDSA-N 311.425 4.285 0 40 DIAB CCC[C@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@H](CC)C3 1459232 HZIQAMGZUWSPHP-NHYWBVRUSA-N 318.486 4.419 0 40 DIAB CN(C)c1ccnc(SCc2ccc(Cl)cc2Cl)n1 1681359 ISDKNJISHHDRCI-UHFFFAOYSA-N 314.241 4.142 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 3427766 JBLNSDWTKKNKEU-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Nc1c[nH]c2ccccc12 5299903 UFVRTUWUSSFKRY-AWEZNQCLSA-N 307.397 4.311 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 5531912 YKOXBOBPCKNGSW-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB COc1cccc(NC(=S)Nc2ccccc2OC(F)F)c1 5689776 MPIRENMSKSPEGD-UHFFFAOYSA-N 324.352 4.106 0 40 DIAB Cc1cccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c1C 5815599 JKFUQIXSUYGWGK-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 10216915 NHTWPHUTAKFJDR-ZFWWWQNUSA-N 312.438 4.316 0 40 DIAB Cc1cc2cc(CNc3cccc(C)c3C)c(=O)[nH]c2cc1C 12493377 BTKWIXNLUCDXMP-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB Cn1ccnc1Sc1ncnc2scc(-c3ccccc3)c12 12634820 IGGILIUFQBACOD-UHFFFAOYSA-N 324.434 4.243 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1c2ccccc2C[C@@H]1C 19932349 ZLFAYSSAUZHALL-HNAYVOBHSA-N 323.436 4.439 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1c(F)cccc1F 20110407 DUGCASUPQFYWTK-HNNXBMFYSA-N 319.351 4.378 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCc2ccccc21 20460930 RCHMDRIVGIZZTN-SFHVURJKSA-N 309.409 4.050 0 40 DIAB CCCC(=O)Nc1ccc(OCc2ccccc2)c(C(C)=O)c1 23986292 NYPQVOPCMSWTNT-UHFFFAOYSA-N 311.381 4.207 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc2c3c(cccc13)CC2 28651947 FOKKVNJUDNEHHD-KDOFPFPSSA-N 322.452 4.045 0 40 DIAB CCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 29632247 XDMYQRYIXKNYTM-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccc(C)s2)cc1 30641029 CUFTXLYSVMILHY-CYBMUJFWSA-N 302.443 4.256 0 40 DIAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cc2ccccc2o1 32883871 ZYUHRFBZLBQSND-UHFFFAOYSA-N 321.380 4.070 0 40 DIAB CC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Cl)cc2)N1O 33669300 SNCPWGACBWQWEA-QGZVFWFLSA-N 315.780 4.385 0 40 DIAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 42645594 NPSOZRRCBGKWPU-CYBMUJFWSA-N 317.360 4.019 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(F)c1 44900197 HCXVEDCNLFLTFN-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Nc1ccc(Cl)c(-c2nc(-c3ccccc3Cl)no2)c1 50438574 UYLJLXWMWRYGKV-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CC(C)(C)CC(=O)Nc1ccccc1OCc1cscn1 65585193 LEVPXBKHKDIYIZ-UHFFFAOYSA-N 304.415 4.097 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1cnc(-c2ccccc2)nc1 67657333 WYXYOGRJUXTHOP-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1 95116323 LRDKDAPETMWPOH-OAHLLOKOSA-N 323.421 4.332 0 40 DIAB Cc1ccc(Cl)cc1[C@H](O)c1ccc(Br)cc1 95730341 CMYLEKCFMBFMBR-CQSZACIVSA-N 311.606 4.493 0 40 DIAB O=C(c1cc(F)cc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 95916196 RNGMJLXSDPKXRI-UHFFFAOYSA-N 324.607 4.406 0 40 DIAB CS[C@@H]1CCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 96409415 JCLIORCNMVOCKF-WDEREUQCSA-N 317.376 4.109 0 40 DIAB C[C@H](O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118931412 UZBALNKEQDFPSB-NGVHUDCCSA-N 320.517 4.387 0 40 DIAB Oc1nc2c(s1)[C@H](c1ccco1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169305541 PGOHYRVPWXTGJJ-GATYQTQLSA-N 305.424 4.094 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1[C@H](C)CCC[C@H]1C 216865200 VOGHPBRWGLUIHB-ZIAGYGMSSA-N 317.477 4.329 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(C)ccc2C)c1 222810625 ULXWLBHQYIHFTE-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB Cc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 225426866 IRWBMQAUMVLTNG-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1)C1CC1 225670887 QALJHLOSIBCDMV-LIRRHRJNSA-N 319.445 4.398 0 40 DIAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860450 YOWDHJWVFOYWCR-UHFFFAOYSA-N 324.424 4.158 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@@H]1Cc1ccco1 500343 YFLRKXISNOEIDD-MLGOLLRUSA-N 318.804 4.466 0 40 DIAB CCOc1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1 3066778 MSGJDLWPILHGPG-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB Cc1nc(NCc2cccnc2)c2c3c(sc2n1)C[C@@H](C)CC3 3399344 HSTAJKAXKSYTCE-NSHDSACASA-N 324.453 4.132 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)c1 3549531 CWPSFNLQYNZKEK-CMDGGOBGSA-N 321.298 4.366 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl 5560320 BLEBZGBAQITEMF-NSHDSACASA-N 307.752 4.194 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CCC[C@H]12 6795912 SGQIYKXGWYOMQI-NHQGGFKJSA-N 306.490 4.141 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 6832404 AILKASIBFQFLEC-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)s1 7112680 MVJQQPPESQDFLD-QGZVFWFLSA-N 324.405 4.416 0 40 DIAB CSc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 8429639 XEKGWIUSUODZNA-UHFFFAOYSA-N 321.785 4.012 0 40 DIAB CCOc1cccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)c1 8903548 NJOKZOWIYWNPMS-UHFFFAOYSA-N 314.776 4.267 0 40 DIAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1cccs1)C(=O)O3 12222971 CDHWIPLQQWGDEW-UHFFFAOYSA-N 324.405 4.428 0 40 DIAB Cc1nnc(S[C@H](C)c2nc3ccccc3s2)n1C1CC1 12748839 QSCNGVZYZVWJAP-SECBINFHSA-N 316.455 4.384 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1 14022324 XYTCQTJFUHLBRV-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCCCCC3)o2)cc1 14181722 HQHYXXKENZDVKG-UHFFFAOYSA-N 311.381 4.165 0 40 DIAB COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 14207457 HZAJCUWEPJTBDF-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 14397875 TXQGWNXMMLWLNG-CYBMUJFWSA-N 317.360 4.019 0 40 DIAB CCCCCNC(=O)Cc1sc(C)nc1-c1cccs1 15842201 GRAJHEWWAIIRBQ-UHFFFAOYSA-N 308.472 4.029 0 40 DIAB Cc1ccc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 15977024 JNFPNWXWAYKEIT-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)c2ccccc2Br)[C@@H]1C 19518065 DSLGRQCCJXUQJF-GYSYKLTISA-N 310.235 4.004 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 22515806 MLPYDDVVGIEYJL-KGLIPLIRSA-N 317.816 4.293 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1 35655064 PCPDEOZKRIYHGQ-BFYDXBDKSA-N 317.429 4.082 0 40 DIAB Cc1ccc(C)c(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1 36302270 RLZGYLTWGISTSC-UHFFFAOYSA-N 300.226 4.230 0 40 DIAB c1ccc(C2=N[C@H]3N=C(c4cccs4)S[C@@H]3S2)cc1 41097565 VQTDDZJWSUBKFQ-FZMZJTMJSA-N 302.449 4.087 0 40 DIAB C[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 43881892 XLNHOWUOPDSOEI-QMMMGPOBSA-N 312.266 4.126 0 40 DIAB COc1ccc2oc(C)c(C(=O)N3c4ccccc4C[C@H]3C)c2c1 65610955 IAHNBFVGWGCGCB-GFCCVEGCSA-N 321.376 4.341 0 40 DIAB CCN(CC)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72212885 VTZBYLVEMSRNGK-IBGZPJMESA-N 309.457 4.265 0 40 DIAB Fc1cc(Cl)cnc1NCC1(c2ccccc2)CCOCC1 79295729 UWPLJUVITOYMTC-UHFFFAOYSA-N 320.795 4.034 0 40 DIAB C[C@@H](NCc1cccc(O)c1)c1cc(Br)ccc1F 95967597 ULPIAKIJQIHZML-SNVBAGLBSA-N 324.193 4.145 0 40 DIAB Cc1c(Br)cc(Br)c2cccnc12 196357839 GTILZCOZNZPTCM-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB COc1cccc(Cc2csc(Nc3cnccc3C)n2)c1 211138308 SHRZBODGSDWCGL-UHFFFAOYSA-N 311.410 4.190 0 40 DIAB CCCC[C@H](CC)CNC(=O)CSCc1ccc(F)cc1 224378869 OZLMHAAOANSTOS-AWEZNQCLSA-N 311.466 4.392 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c(C)c1 224605849 GSVNUPVTSMZBCI-OAHLLOKOSA-N 305.462 4.402 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(C)c2)c1 225010273 BKZZGRXNGNPWBD-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB Cc1ccc(C)c(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225028980 ZARVYYAPOFMVFR-LJQANCHMSA-N 312.409 4.303 0 40 DIAB Cc1ccc(S[C@H](Cc2ccccc2Cl)C(=O)O)cc1 225057380 GFJRGOAKLAPTSY-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB O=C(NCc1ccnc(-c2ccco2)c1)c1cc2ccccc2o1 225654276 ITOSVIISGSFONA-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB CCC(=O)Nc1ccc(SCc2ccccc2Cl)cn1 546922238 IARCJIHOXPMPLT-UHFFFAOYSA-N 306.818 4.376 0 40 DIAB FC(F)(F)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1 624005523 TUBHEWIVQQJGEH-UHFFFAOYSA-N 315.726 4.062 0 40 DIAB C[C@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(O)c2n1 685938037 HKHBCTPRHMRVRC-JTQLQIEISA-N 310.319 4.338 0 40 DIAB CC(C)Oc1cccc([C@H]2CC(=O)c3cc(F)ccc3O2)c1 125039 GRGPNZNNKWKELK-GOSISDBHSA-N 300.329 4.319 0 40 DIAB biogenic O=C(Cn1ccc2ccccc21)Nc1cccc(C(F)(F)F)c1 133447 HUZJAEUGIDIWED-UHFFFAOYSA-N 318.298 4.299 0 40 DIAB COc1cc2c(cc1[C@H](C)c1ccc(OC(C)C)cc1)OCO2 1583048 RZJUEXAWESORLE-CYBMUJFWSA-N 314.381 4.363 0 40 DIAB Cc1cc2oc(=O)cc(CNc3cccc(C)c3C)c2cc1O 2126053 JWYHLCBGQOKZHP-UHFFFAOYSA-N 309.365 4.036 0 40 DIAB biogenic C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)/C(=C\CO)CC[C@@H]12 4429830 KXVALZPKSDUKFU-GRTNIHBASA-N 312.453 4.357 0 40 DIAB O=C(Nc1ccccc1Cl)c1cnc(-c2ccccc2)nc1 4815341 AZSNVXVYGNIXGG-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB COc1ccc(-n2cnnc2SC/C=C/c2ccccc2)cc1 5689364 CCDXOPIDWQZNCL-VMPITWQZSA-N 323.421 4.081 0 40 DIAB Cc1n[nH]c2c1[C@H](c1cccc3ccccc13)S[C@@H](C)C(=O)N2 6678446 PHKFKDARFLSTSJ-ZBEGNZNMSA-N 323.421 4.035 0 40 DIAB CSc1ccccc1NC(=O)CSCc1ccc(F)cc1 7146352 SNGCEFPIPOVVQE-UHFFFAOYSA-N 321.442 4.420 0 40 DIAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 7452783 CYUDTDMVQADPMB-UHFFFAOYSA-N 318.380 4.258 0 40 DIAB CCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8227248 MTHKTHABVHEUMC-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(C)ccc1C 8498632 IFQCXHXBDMFWIE-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB Cc1ccc(-c2nnc(S)n2-c2cccc3ncccc23)cc1 9422390 GCEDHHKIDYPDTN-UHFFFAOYSA-N 318.405 4.080 0 40 DIAB CC(C)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 10408424 IGPZTIMMECZALZ-UHFFFAOYSA-N 311.381 4.110 0 40 DIAB Cc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 11914628 HJDCJRDAGGARMM-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB C=Cn1ncc(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C 12337399 FXUUDTZVVWDQCW-HXUWFJFHSA-N 321.468 4.452 0 40 DIAB COC(=O)c1ccc(CSc2cc(C)c3ccccc3n2)o1 12514961 QKTQJRJQYUPDPT-UHFFFAOYSA-N 313.378 4.215 0 40 DIAB O=C(C1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 14110144 JAQPLVTVUIFFQL-AWEZNQCLSA-N 314.454 4.193 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)Cc2ccccc2)cc1 14268952 WTMFRVAMDTWQBM-INIZCTEOSA-N 308.425 4.247 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 14397438 NNMJTMZVAYCYFD-CYBMUJFWSA-N 307.821 4.114 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCCc2ccccc21 20046692 CITCPGKDJFRMEK-LJQANCHMSA-N 309.409 4.132 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1(C)C 22007374 MLQJCBXTOFLXOD-HUUCEWRRSA-N 323.383 4.143 0 40 DIAB CC(C)CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 24883591 HVAOFQKQWSAPKJ-UHFFFAOYSA-N 314.410 4.219 0 40 DIAB CC(C)CNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 25527965 GIDFKPNLKRXFRV-ZIAGYGMSSA-N 316.470 4.342 0 40 DIAB O=C(CCCc1ccccc1)Nc1cc(-c2ccccc2)n[nH]1 28305017 GCKFDRGDXIZKBA-UHFFFAOYSA-N 305.381 4.038 0 40 DIAB Nc1nc2c(s1)[C@H](c1ccc(Cl)c(Cl)c1)CC(O)=N2 32092399 KJHPYWDFDJMLBZ-LURJTMIESA-N 314.197 4.156 0 40 DIAB C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc2ccccc12 32986380 HWBLXBDDIABIPT-YGRLFVJLSA-N 308.208 4.211 0 40 DIAB Cc1cc(Br)ccc1C(=O)c1ccc(F)c(F)c1 36829431 BDTKOWQKHZWLPD-UHFFFAOYSA-N 311.125 4.267 0 40 DIAB Cc1ccc(NC(=O)NCCSc2ccccc2)c(F)c1 43325112 YEAQGUDPMJBGED-UHFFFAOYSA-N 304.390 4.048 0 40 DIAB Cc1nnc(SCCOc2ccc3ccccc3c2)s1 47438750 IUYGQMACOSSRGJ-UHFFFAOYSA-N 302.424 4.171 0 40 DIAB CC(C)(C)OCCSc1nnc(-c2c[nH]c3ccccc23)o1 58377206 FLVNMUNZBGEXRI-UHFFFAOYSA-N 317.414 4.125 0 40 DIAB CSc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72216909 VUOQSOJRPZOKMI-CYBMUJFWSA-N 308.447 4.266 0 40 DIAB CCO[C@H](C)c1noc(CS[C@H](C)c2ccccc2F)n1 78164177 XTSAOYGCDFBZOT-GHMZBOCLSA-N 310.394 4.301 0 40 DIAB CCCn1c(SCCc2ccccc2)nnc1-c1ccncc1 78289616 HHMCXCRXFJJUTN-UHFFFAOYSA-N 324.453 4.085 0 40 DIAB Clc1ncnc2oc(-c3cccc(Br)c3)cc12 89224394 ADOXWAZULQPWHU-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB CCc1ccc(CN[C@H](c2ccc(F)cc2)c2cccnc2)o1 95415467 TYRHWRODLGEUFR-LJQANCHMSA-N 310.372 4.255 0 40 DIAB CCOc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 96621950 ZRJOSYSGEDITFZ-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 100849283 HRNXETQNTHIERV-USNOLKROSA-N 323.436 4.113 0 40 DIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 102427073 WOLSOMJOZHEZHZ-MNXVOIDGSA-N 311.347 4.260 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 113959649 FMRODRRJSMYYSA-KBXCAEBGSA-N 315.388 4.169 0 40 DIAB COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 222397328 OBXNXISHGBQKJO-JYRVWZFOSA-N 319.282 4.207 0 40 DIAB O=C(Cc1ccccc1F)Nc1ccc(OC2CCCC2)cc1 225448318 FUCNHAXQIKFJKH-UHFFFAOYSA-N 313.372 4.328 0 40 DIAB Fc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1F 225460532 VZMDWZMTLWILDI-INIZCTEOSA-N 318.392 4.329 0 40 DIAB O=C(NCCSC1CCCCC1)c1ccc2c(c1)CCCC2 225627503 QDXDVVBZPYPUTA-UHFFFAOYSA-N 317.498 4.361 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)Cc3ccco3)c(C)n2)cc1 257173321 JTOLOFOTBJWGCC-UHFFFAOYSA-N 320.392 4.231 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260612880 BVUQYDFSCDYJHH-WBMJQRKESA-N 307.409 4.260 0 40 DIAB COc1ccccc1C(=O)N1CCCC[C@@H]1CSC(C)(C)C 390829823 GVLWSELVUNHVBW-CQSZACIVSA-N 321.486 4.222 0 40 DIAB Cc1cc(Nc2ncnc3ccccc23)ccc1Br 104655 FMMITHNLRZRVCC-UHFFFAOYSA-N 314.186 4.444 0 40 DIAB O=C(COc1cccc2ccccc12)NCCC1=CCCCC1 508800 VXFJAALRJZSKJX-UHFFFAOYSA-N 309.409 4.225 0 40 DIAB Cc1ccc(-c2nnc(C)c(Sc3ccc(F)cc3)n2)cc1 1403175 OUNFOSUCOMUMOF-UHFFFAOYSA-N 311.385 4.446 0 40 DIAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 2206060 IKZTWEDSPREIPW-WJDWOHSUSA-N 309.390 4.232 0 40 DIAB CCCCNc1nc(-c2cccc(OC)c2O)nc2ccccc12 2264339 RBBTXKKNRMBCTF-UHFFFAOYSA-N 323.396 4.223 0 40 DIAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 2492882 OXMUJJPXNUBXPP-PSLIRLAXSA-N 316.401 4.441 0 40 DIAB C[C@H]1CC[C@@](C)(C(=O)CCOC(=O)c2ccccc2)C1(C)C 3846202 IPBDLLZTLRWMHS-LIRRHRJNSA-N 302.414 4.265 0 40 DIAB biogenic C[C@]12CCC[C@H]1[C@@H]1CC[C@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CC2 3846874 PVBHAUBUOVCYIN-RJGGYNTPSA-N 322.445 4.185 0 40 DIAB Cc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 4714074 SCSFUNGFLDMLNL-UYRXBGFRSA-N 313.356 4.493 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 4902587 MYDYAKIYFFHWMG-INIZCTEOSA-N 324.424 4.083 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)c1 5454999 WMMMOKBYALWEDH-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 5766102 PSWCBSBDTUQQIX-CEWLAPEOSA-N 311.469 4.164 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1cccnc1Cl 6338103 KWCJTUMHHHECCA-UHFFFAOYSA-N 322.795 4.254 0 40 DIAB CN(C)CC[C@H](OC(=O)c1ccccc1Cl)c1ccccc1 6437067 WZIRHCGFFJKUGV-KRWDZBQOSA-N 317.816 4.190 0 40 DIAB CSc1ccc(CSCC(=O)NCc2cccs2)cc1 7208248 FBLPTMBDMGTLQH-UHFFFAOYSA-N 323.508 4.020 0 40 DIAB CCCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 7261676 CJMYHGRBXCPILA-UHFFFAOYSA-N 317.404 4.303 0 40 DIAB CC(C)c1ccc(NC(=S)NCCc2cccs2)cc1 7559919 ZLNJFLAKEBCSLW-UHFFFAOYSA-N 304.484 4.401 0 40 DIAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1cccs1 8436131 QVOCFTOHXDLTAO-UHFFFAOYSA-N 312.438 4.410 0 40 DIAB CCCCC(=O)Nc1nn(CC)c2nc3cc(C)ccc3cc12 9108683 OWBFFULNGVBWSM-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB Cc1ccc([C@H](NC(=O)NC2CCCC2)c2cccs2)cc1 12947264 QQRMYIHTXZQSQI-KRWDZBQOSA-N 314.454 4.388 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc3cc[nH]c3c2)cc1 13577555 QRUZRMXCQWHRPZ-UHFFFAOYSA-N 309.394 4.179 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(F)c1 13709135 ANTFAPCFCAVIJK-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1Cl 14716824 OULKJLLVMHCPLP-TUAOUCFPSA-N 323.820 4.122 0 40 DIAB CCCCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 16976874 FJHKWQRFWVNCEN-UHFFFAOYSA-N 324.428 4.369 0 40 DIAB Cc1nn2c(O)cc(-c3ccc(F)cc3)nc2c1-c1ccccc1 18222291 PGUIHOIBIYWHEH-UHFFFAOYSA-N 319.339 4.216 0 40 DIAB CCOC(=O)c1cc(NC(=O)c2cccc(C)c2)ccc1Cl 20051062 BGGDISUOHHGXBB-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB O=C(CCc1ccccc1Cl)Nc1cnc2ccccc2c1 25156327 MLNGKLVJAJDCHS-UHFFFAOYSA-N 310.784 4.460 0 40 DIAB Cc1noc2ncc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc12 29107320 XOHWCGNCLBDCRR-QGZVFWFLSA-N 323.396 4.048 0 40 DIAB CN(C(=O)CCCOc1ccc(Cl)cc1)C1CCCCC1 30850161 IUNWGEGOGOJUOW-UHFFFAOYSA-N 309.837 4.290 0 40 DIAB Cc1ncc(CNC(=O)Nc2cccc(Cl)c2Cl)s1 32611478 SNQXHBZEEBGEHC-UHFFFAOYSA-N 316.213 4.080 0 40 DIAB CC(C)c1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1O 32904794 GXNPITGZZIHQTO-UHFFFAOYSA-N 324.302 4.182 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccccc1 36562750 MIXODYIDDGTTOR-RTBURBONSA-N 311.425 4.420 0 40 DIAB COc1cc(Cl)c(C)cc1N[C@@H](C)c1nc(C(C)C)no1 40059762 UYQJJADGVZYXSE-JTQLQIEISA-N 309.797 4.337 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 44904683 CNYDOWJECYSALL-NVXWUHKLSA-N 323.436 4.357 0 40 DIAB O=[S@](Cc1ccc(Cl)cc1)Cc1nc2ccccc2s1 58045844 XHRWYZNPUCTTOM-FQEVSTJZSA-N 321.854 4.399 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc3ccccc23)on1 69418590 UNKUNEGCIZGCDV-KRWDZBQOSA-N 306.365 4.114 0 40 DIAB CC(C)c1nnc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)o1 69811485 ZWGWCOCREUCWLT-KRWDZBQOSA-N 324.428 4.402 0 40 DIAB Cc1ccc(-c2cccc(CN3CC(c4ccccn4)C3)c2)o1 72161151 YFHAYBULORAFMN-UHFFFAOYSA-N 304.393 4.249 0 40 DIAB C[C@@H](CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccncc1 79092692 YSVPQHZYNCGEPO-INIZCTEOSA-N 323.440 4.204 0 40 DIAB OC1CCC(N[C@H]2CCCSc3ccc(Cl)cc32)CC1 90800637 HFRGTMHTYUBFIX-PIMMBPRGSA-N 311.878 4.160 0 40 DIAB O=C(c1cccnc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206878688 IYAWRRGKOAMBRC-INIZCTEOSA-N 314.816 4.145 0 40 DIAB O=C(c1cccs1)N1CCCC[C@@H](c2ccc(F)cc2)C1 207960424 QCLHUQQXVJVFIX-CQSZACIVSA-N 303.402 4.297 0 40 DIAB COc1ccccc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408554362 DKUMHHJCSNMKMX-MRXNPFEDSA-N 319.813 4.127 0 40 DIAB Cc1ccc2sc(CNC(=O)c3ccoc3C3CC3)nc2c1 585141247 RUPKDOGMYVXEQZ-UHFFFAOYSA-N 312.394 4.005 0 40 DIAB CO[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1cccc(F)c1 1615140526 ORCFWXZFHWPLBC-VQIMIIECSA-N 305.437 4.038 0 40 DIAB CSc1ccc(C(=O)c2ccc(CN3CCCC3)cc2)cc1 2514558 AVWCROJZLJYFJD-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB Cc1cc2cc(CNC(=O)CCC3CCCCC3)ccc2n1C 4061467 HOOCAIOFIJCGBI-UHFFFAOYSA-N 312.457 4.463 0 40 DIAB CCCCc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 4163201 NHGWOCGRYZMNGI-UHFFFAOYSA-N 320.392 4.332 0 40 DIAB COc1cccc(NC(=S)Nc2cccc3cnccc23)c1 5700476 XXOCBWZEMCMTPK-UHFFFAOYSA-N 309.394 4.052 0 40 DIAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)nc2)c(C)n1C 7382638 XDTAHUCSOLQGPW-UHFFFAOYSA-N 321.380 4.082 0 40 DIAB Cc1c(C(=O)N[C@H](C)c2cccs2)oc2c(F)cccc12 7779578 IXEVVTFAQWFURB-SNVBAGLBSA-N 303.358 4.433 0 40 DIAB CCCCN(CC)Cc1c(C)nc2ccc(OCC)cc2c1O 8713981 UHKGFRUIECNYJN-UHFFFAOYSA-N 316.445 4.270 0 40 DIAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(F)c(F)c1 8924927 QIXSRLZSVXXEAA-MRVPVSSYSA-N 313.706 4.248 0 40 DIAB COc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1OC 11379274 CXGJCNNQQUHSMW-VMPITWQZSA-N 323.801 4.071 0 40 DIAB Cc1ccc(C)c(OCCCCn2c(C=O)nc3ccccc32)c1 11735034 IGRJJYABLGIFSM-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB O=C(CCSCc1ccccc1)NCCC1=CCCCC1 13688034 QSOSGZCPOXUAHB-UHFFFAOYSA-N 303.471 4.317 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 14254343 DFLYIXBVRPZQDA-LBPRGKRZSA-N 307.390 4.140 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 18173601 OTNKJSUOPMEQJL-SECBINFHSA-N 306.715 4.146 0 40 DIAB CC(C)Sc1ccccc1C(=O)N1CCc2ccccc2C1 20612841 SRTLYYPBDVXWKW-UHFFFAOYSA-N 311.450 4.386 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)NCC1(c2ccccc2)CC1 22427141 BUVWLJDPJRZIPL-INIZCTEOSA-N 308.425 4.087 0 40 DIAB Cc1cc(C)c(CN[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C 25365007 OZKZHXDOQMUXSF-KRWDZBQOSA-N 320.440 4.043 0 40 DIAB CC(C)[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1 25582742 IMVHBPPMUQFSEY-INIZCTEOSA-N 318.804 4.333 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C 27220665 JWJXECVIFYDOET-ZUZCIYMTSA-N 321.804 4.246 0 40 DIAB C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 32862934 BWFQNKVYNUDILP-ZDUSSCGKSA-N 302.805 4.243 0 40 DIAB O=C(CSCc1ccccc1)N1CCC[C@@H]1c1ccccc1 48341509 SXDGMJRUBRCXRU-GOSISDBHSA-N 311.450 4.284 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)n2c1 71459181 YPTFKOPRDCJOAW-UHFFFAOYSA-N 313.788 4.165 0 40 DIAB C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](c2nccs2)C1 72284774 SLLUEYFFWYAWMX-UKRRQHHQSA-N 306.475 4.066 0 40 DIAB CSc1cccc([C@H](O)c2ccc(Br)cc2)c1 95730365 WBUBIHJDNMSTCO-CQSZACIVSA-N 309.228 4.253 0 40 DIAB CCn1ccnc1CSc1ncc(C(F)(F)F)cc1Cl 95952866 OLIHTTPVEYDZGO-UHFFFAOYSA-N 321.755 4.263 0 40 DIAB C[C@H]1CC(C)(C)c2ccccc2N1Cc1nccn1C(F)F 96002344 LYQBEAGSZUJGPM-LBPRGKRZSA-N 305.372 4.355 0 40 DIAB CN1[C@H](c2ccccc2)[C@@H]2CCC[C@@H]([C@@H]2O)[C@@H]1c1ccccc1 100745666 VOVYUVZGDORCCG-GCFHALSMSA-N 307.437 4.192 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCc1c[nH]c3ccccc13)C2 102956427 GMTDNUUDMZFYMG-KLHJMIIUSA-N 324.468 4.432 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 224655809 QLFDQOAQTUNSEH-OAHLLOKOSA-N 313.466 4.305 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCc1nc2ccccc2o1 224948240 CPXFTGVLIZSCMB-CQSZACIVSA-N 302.418 4.093 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 224970781 CBBKSNDLTCIAPE-PWIZWCRZSA-N 305.421 4.201 0 40 DIAB Cc1ccc(O[C@@H](Cc2cccc3ccccc23)C(=O)O)cc1 225047846 PIKRJCPIEZOBPI-IBGZPJMESA-N 306.361 4.223 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)NC2CCCCC2)cc1 225755692 HLSTYWLVPHHZPJ-SFHVURJKSA-N 318.461 4.414 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)nc1C 225886832 ZMRJSNUFEYYHSK-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c(C)n1 225903744 AITDDXRXERFTSO-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CCOCCOc1ccccc1C(=O)N[C@H](C)CCC(C)(C)C 522888526 UQWQPNHTKRLDEX-OAHLLOKOSA-N 321.461 4.047 0 40 DIAB CCNC(=O)c1cc(NC(=O)C2CCCCCCC2)c(C)s1 1530515159 NEYJXEAJTOUETJ-UHFFFAOYSA-N 322.474 4.105 0 40 DIAB CC(C)=CC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1 145711 FOYBYMFUJWUHCQ-UHFFFAOYSA-N 309.365 4.119 0 40 DIAB COc1ccc(OC)c(Nc2cc(C)nc3c(OC)cccc23)c1 303374 QYYLBAKPSHPNAL-UHFFFAOYSA-N 324.380 4.313 0 40 DIAB Cc1nc(C)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1 348839 ADHDLDUKQXDATR-UHFFFAOYSA-N 315.372 4.160 0 40 DIAB Cc1ccc2nc(Cl)c([C@H]3NC(=O)c4ccccc4N3)cc2c1 421619 JRIRKBFTUAIUFY-QGZVFWFLSA-N 323.783 4.051 0 40 DIAB COc1ccccc1C(=O)Nc1cccc(-c2csc(C)n2)c1 577303 QAOWDECYAPYHST-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1ccccc1[C@H]1c2c(C)cccc2C(=O)C[C@@H]1CC(=O)O 1602000 MYVGZIGBDHZWOU-VLIAUNLRSA-N 308.377 4.113 0 40 DIAB Clc1ccc(C2=NCON=C2c2ccc(Cl)cc2)cc1 1650149 NTLPPBYJSBMZMV-UHFFFAOYSA-N 305.164 4.175 0 40 DIAB CC[C@H](C)c1ccc(OCCn2c(CO)nc3ccccc32)cc1 1926861 CZWWSVQTABPLGY-HNNXBMFYSA-N 324.424 4.121 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](Nc1ccccc1C)C(F)(F)F 2590070 OFJDQGUXFALBMG-OAHLLOKOSA-N 322.330 4.285 0 40 DIAB Cc1cccc(CC(=O)NCCSc2ccc(Cl)cc2)c1 3104886 PNANLBYTBDHSJL-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB Cc1ccc(Sc2ncccc2COC(=O)NC(C)C)cc1 3105731 PWIDPJJMQWDBSC-UHFFFAOYSA-N 316.426 4.176 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)F)cc1 3325768 ZPBXCEOFMJLZCX-UHFFFAOYSA-N 303.308 4.029 0 40 DIAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1 3904955 GBAHPMMVENBPNR-MGPQQGTHSA-N 309.837 4.148 0 40 DIAB Cc1ccccc1OCc1nnc(-c2ccccc2Cl)o1 4539511 MKPWDJNDITXSHP-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB C[C@@H](c1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 4616925 PLRZHHZKCFGIJK-ZDUSSCGKSA-N 301.345 4.197 0 40 DIAB O=C1c2ccccc2CC[C@@]12N=NC[C@@H]2c1ccccc1Cl 4664599 TVTBAMWCYNLAKW-QAPCUYQASA-N 310.784 4.457 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccc2ccccc2n1 5876163 ZALDTTHMRIZQAJ-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB C[C@H]1CCc2c(C(=O)N3CCc4ccccc4C3)csc2C1 6052615 XYARAKZZNUXILG-ZDUSSCGKSA-N 311.450 4.071 0 40 DIAB FC(F)Oc1ccc(-c2csc(NC3=NCCC3)n2)cc1 6438089 QPRMGHNXBGFRGP-UHFFFAOYSA-N 309.341 4.016 0 40 DIAB CC(C)c1n[nH]c(SCc2cccc(C(F)(F)F)c2)n1 6782179 GXMKCFWRALQBHR-UHFFFAOYSA-N 301.337 4.239 0 40 DIAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1CCCC1 8401560 UIEGHFSONHZORK-MRXNPFEDSA-N 303.402 4.283 0 40 DIAB Cc1cccc(OC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 8586513 NONPMNGFKQAAPH-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccnn1C1CCCCC1 9602449 QFTWZGDATQRJGR-ZFWWWQNUSA-N 320.506 4.253 0 40 DIAB CCOc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 10039386 SKJNKIDBFYADJL-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)cc(C)c1 11636897 MLDWQVYRBFRRQT-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1C 12274388 KTYGFFQJCAXBAV-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc2ccccc12 12558145 WGKYUFWHWBFQJD-OAHLLOKOSA-N 316.404 4.230 0 40 DIAB CCC[C@H](C)NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 12992331 LKUIAVRTRITYBA-AWEZNQCLSA-N 315.413 4.193 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)c1 15585415 SWDNUQGLXXWUHJ-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C)cc1 17069712 FMTHFODATLOOGJ-UHFFFAOYSA-N 322.861 4.442 0 40 DIAB Cc1ccc(-c2nc3sccn3c2NC(=O)c2ccco2)cc1 19861613 WAFFMIZXAXBCLJ-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB CCc1c(C)n(C2CCCCC2)c2nc3ccccc3n2c1=O 20798410 CTZGCPSKCJAADP-UHFFFAOYSA-N 309.413 4.025 0 40 DIAB Cc1ccc(-n2c(CNc3ccccc3)n[nH]c2=S)cc1C 26439427 LXQZHMWPPKWKHK-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB Cc1ccccc1C(=O)Nc1cccc(OCc2ccccn2)c1 31455966 AGKDHOGAGCGBLM-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Nc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 37366922 WRMGNXRWPCDLFV-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB Brc1ccc(-c2ccc(Br)s2)nc1 38876109 AZBHJODALOVOSN-UHFFFAOYSA-N 319.021 4.335 0 40 DIAB in-vitro O=C(c1ccccc1C(F)(F)F)c1cncc2ccccc12 45028875 AWUQBROACPOHLA-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB COCc1ccccc1CNC(=O)Nc1ccc(C(C)C)cc1 48332914 FRMHOXWRTNMKQV-UHFFFAOYSA-N 312.413 4.278 0 40 DIAB Fc1cc(F)cc(NC(=S)Nc2ccc3c(c2)CCC3)c1 53518248 QPAGQHXKDRYZSN-UHFFFAOYSA-N 304.365 4.262 0 40 DIAB C[C@@H]1CCc2ccccc2N1Cc1nc(Cc2ccccc2)no1 58016618 DSYCTDYOKKRFBF-OAHLLOKOSA-N 319.408 4.002 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc[nH]1 58223342 CUHRFMBHLJERKH-CQSZACIVSA-N 323.318 4.403 0 40 DIAB Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1ccncc1 69490569 HPOOHWUOMYYFFY-GFCCVEGCSA-N 323.421 4.005 0 40 DIAB CC(=O)Nc1cccc(NCc2ncc(-c3ccccc3C)o2)c1 72911336 ZVWPOVHEQRJCDG-UHFFFAOYSA-N 321.380 4.221 0 40 DIAB CSc1nc(Cl)ccc1C(=O)N[C@@H](C)c1ccccc1C 75108434 PKIMVJKOMDKQPY-NSHDSACASA-N 320.845 4.256 0 40 DIAB CCc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222557882 JZZFSPWCMXTJIL-DOPJRALCSA-N 323.465 4.233 0 40 DIAB CCCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258710 RRKBICPZACSTDO-UHFFFAOYSA-N 307.397 4.150 0 40 DIAB Fc1ccc(NC(=S)NCCCSCc2ccco2)cc1 225593397 CXXWRGKJEKZBKD-UHFFFAOYSA-N 324.446 4.029 0 40 DIAB O=C(O)c1ccccc1-c1ccc(CN2CCCCCC2)cc1 390154940 XXPHLBPPSSFVNH-UHFFFAOYSA-N 309.409 4.428 0 40 DIAB C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccoc1 575620387 KHRYCZQTYUGDCW-KTRBRXNASA-N 311.406 4.255 0 40 DIAB Cc1ccccc1NC(=O)NCC(c1ccco1)c1ccco1 675007877 YPASSBQCNQZWFT-UHFFFAOYSA-N 310.353 4.135 0 40 DIAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccsc1 2086896626 DUZULPIHNJTELK-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB CC[C@@](C)(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2362797672 UDLSODOYLXBBDX-LLVKDONJSA-N 314.225 4.477 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 1002347 MAZHKECONZVPAS-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(NCc1ccccc1Cl)c1ccccc1Br 3562290 OHTVVXCHSGLFFL-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB CCCCCCC(=O)[C@H]1O[C@H]1CCCCCCCCC(=O)O 4410606 UMXHXBIKJIORIB-FUHWJXTLSA-N 312.450 4.499 0 40 DIAB CCO[P@@]1(=O)OC(c2ccccc2)=NC1=C(Cl)Cl 4529938 FPJPZHKGQSYPHI-GOSISDBHSA-N 306.085 4.297 0 40 DIAB CCOC(=O)[C@H](c1ccc(C)c(C)c1)C(Cl)(Cl)Cl 5575510 ONIROLQWLUGNKE-NSHDSACASA-N 309.620 4.320 0 40 DIAB O=c1cc(CSc2ccccc2Cl)c2ccc(O)cc2o1 6351846 HGYXDBVHYCWPAK-UHFFFAOYSA-N 318.781 4.444 0 40 DIAB CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3[nH]2)c1 6653294 OUEPPTYEZJHPHH-UHFFFAOYSA-N 317.801 4.191 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C 6745815 DYQXCCALCHYJFF-SFHVURJKSA-N 324.424 4.176 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)C(CC)CC)C(=O)O 8732895 VGGMOUIYOKYANJ-OAHLLOKOSA-N 323.458 4.407 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)OCc1ccc(F)cc1Cl 10633306 USJFANXZSOKCEB-UHFFFAOYSA-N 317.747 4.246 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 12751117 XKGXOYNSRRMZPC-GRDNDAEWSA-N 304.434 4.024 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1ccco1 14140236 ASFVOYBRRGVLOM-NSHDSACASA-N 312.394 4.203 0 40 DIAB CCCOc1ccc(CNc2ccc(OCCOC)cc2)cc1 19738275 FTASBQRQLMGPGD-UHFFFAOYSA-N 315.413 4.113 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 20459772 IBZDNTSGIWIWJE-KBPBESRZSA-N 317.429 4.325 0 40 DIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(C)c2ncccc12 31094245 ZRXOQCREZCBRBL-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB COc1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 32769534 GZSHBFZAOSRHDU-UHFFFAOYSA-N 311.381 4.269 0 40 DIAB CCOc1ccc(Nc2cc(C(=O)OC)nc3ccccc23)cc1 38486574 BMAVFZLVXFIYSD-UHFFFAOYSA-N 322.364 4.164 0 40 DIAB CC(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 44443087 FMJNMSAAMWLLPE-FQEVSTJZSA-N 323.436 4.383 0 40 DIAB O=C(Nc1ccncc1)N[C@@H](c1cccs1)C1CCCC1 46983642 LIPIZYRNZPDACV-OAHLLOKOSA-N 301.415 4.196 0 40 DIAB O=C(CCCn1cccc1)Nc1ccc2c(c1)Cc1ccccc1-2 49031027 CNTYFIUKHUZLIX-UHFFFAOYSA-N 316.404 4.478 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(F)cc1F 51354105 VQAOOUZINRUDGV-UHFFFAOYSA-N 312.703 4.271 0 40 DIAB CCCCNC(=O)C1CCN([C@H](C)c2cccc(Cl)c2)CC1 65610299 GPTHKQKXGFHOMJ-CQSZACIVSA-N 322.880 4.029 0 40 DIAB Fc1cccc(Br)c1OC(Cl)(Cl)Cl 95215620 GYGFCUIOBYUJRO-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB Cc1nc2ccccc2n1-c1ccc(Br)cc1F 95915727 OEEYOQDQFMGUPZ-UHFFFAOYSA-N 305.150 4.236 0 40 DIAB Cc1cnc(CNc2ccc(Cl)c(Br)c2)o1 95966871 UKPUWHLCBQRALY-UHFFFAOYSA-N 301.571 4.011 0 40 DIAB C[C@@H](NCCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 95995443 PHMREHRVUUJDDC-DENIHFKCSA-N 322.496 4.119 0 40 DIAB CCc1ccc([C@@H](C)NCc2ccc(C3OCCO3)cc2)s1 97016951 GRHHXXYSRVNZNP-CYBMUJFWSA-N 317.454 4.207 0 40 DIAB CCCCC[C@H](O)C(=O)C/C=C\CCCCCCCC(=O)O 102184976 FRHVCDKYCGTKJM-CLOOOTJHSA-N 312.450 4.258 0 40 DIAB O=C(CSc1ccccc1)NCc1cccc2ccccc12 222826672 RSJSVZYWMLSKFJ-UHFFFAOYSA-N 307.418 4.248 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1Cl 224290489 QYIGQXPQBNJHJX-ZIAGYGMSSA-N 311.853 4.440 0 40 DIAB Cc1cc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)ccc1Cl 225031123 AHHNCPZZQFKJJV-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1 226265701 JWSYMEIQQDGQMK-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB Cc1coc(-c2cc(NC(=O)c3ccc(F)s3)ccc2C)n1 1517450043 YQCNUYFWLZOYGM-UHFFFAOYSA-N 316.357 4.411 0 40 DIAB Cc1ccc2nsnc2c1NC(=O)c1ccc2ccccc2c1 97645 WBOUCNMABAGSRJ-UHFFFAOYSA-N 319.389 4.405 0 40 DIAB COCc1nc2ccccc2n1Cc1c(F)cccc1Cl 117446 OEBYJRYOUJILAI-UHFFFAOYSA-N 304.752 4.024 0 40 DIAB CC[C@@H](C)C[C@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 382312 BNXYDEABTXEYNL-SJKOYZFVSA-N 305.491 4.045 0 40 DIAB CCCn1c(-c2cccc(C)c2)nc2nc3ccccc3nc21 534700 PUBGSWRXRYFLRS-UHFFFAOYSA-N 302.381 4.365 0 40 DIAB Cc1ccc([C@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 1016603 PGJFNBYODRCHKH-UNMCSNQZSA-N 314.384 4.211 0 40 DIAB CC(=O)Oc1c(CCOc2ccccc2)sc2ccccc12 1871105 BEQAEIZBONICBC-UHFFFAOYSA-N 312.390 4.448 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)c(C)c1 1914060 YKRWMSRLUNUYSL-UHFFFAOYSA-N 318.442 4.174 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)c2ccccc2F)cc1 2065822 GQHXTDNRMYAPBD-UHFFFAOYSA-N 316.328 4.002 0 40 DIAB O=C(CCc1ccc(F)cc1)c1cccc(Br)c1 2517382 RUIIWNGIGDVFJX-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB COCc1c(C(=O)NC2CCCCCC2)oc2ccccc12 3417602 MTKAQMFMOAAIRQ-UHFFFAOYSA-N 301.386 4.032 0 40 DIAB CCCC(=O)Nc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 4385363 CADNDPBIHNRIOH-UHFFFAOYSA-N 319.430 4.020 0 40 DIAB CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)cs1 4516958 JVKXZSKCJYXGSS-UHFFFAOYSA-N 320.483 4.079 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Cl)c(Cl)c1 4644709 MYUAUDNSRVTJCU-ZROIWOOFSA-N 318.159 4.338 0 40 DIAB CCC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 5556303 GGOQIDYQXGWUJT-SFHVURJKSA-N 310.397 4.167 0 40 DIAB CCOc1ccc(C(=O)O)cc1/C=N/c1cccc(Cl)c1C 6963890 BEKFITSJADAJOZ-VXLYETTFSA-N 317.772 4.496 0 40 DIAB O=c1cnc2ccccc2n1Cc1ccc(-c2ccccc2)cc1 7985369 VPGATFGBVCMBTJ-UHFFFAOYSA-N 312.372 4.112 0 40 DIAB O=C1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc2N1 8208284 LCIVHVXLYAMIMH-UHFFFAOYSA-N 321.405 4.438 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 9597922 VAWPWBMZIDUEHE-MJBXVCDLSA-N 318.461 4.229 0 40 DIAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)cc1 11438345 VHWZMTYOTGKMPS-CQSZACIVSA-N 316.470 4.331 0 40 DIAB C[C@@H]1CCN(C(=O)NC2CCCCC2)c2ccccc2S1 14122761 TZOXGXRUXIIGQJ-CYBMUJFWSA-N 304.459 4.420 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 14268904 FIISEOVADYTGCA-OAHLLOKOSA-N 324.424 4.326 0 40 DIAB Cc1cc(C)c(CNCc2ccc(N3CCCC3=O)cc2)cc1C 15581075 JCBZCPAXXFLZMS-UHFFFAOYSA-N 322.452 4.028 0 40 DIAB Cc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 19736124 WBRYDQGMUSPGLF-AWEZNQCLSA-N 312.413 4.107 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2CC)cc1 20460713 ODJIBBRKFYAZJQ-AWEZNQCLSA-N 313.397 4.054 0 40 DIAB CCc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 22254925 UNASDCRGVVXJCS-UHFFFAOYSA-N 318.348 4.389 0 40 DIAB COc1ccc(Cc2c(Cl)nc(Cl)nc2Cl)cc1 25493176 QKQRWBIMRNYDFS-UHFFFAOYSA-N 303.576 4.036 0 40 DIAB C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 26294438 QURZUVGLYNGKTO-IACUBPJLSA-N 314.351 4.168 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1 32759161 NEGSXSGOEFJMOV-ZDUSSCGKSA-N 310.372 4.058 0 40 DIAB CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1cccc(C)c1 35622150 DTYYWWROUVLSSX-LJQANCHMSA-N 321.428 4.016 0 40 DIAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 38563736 KAYYIYDHRSEWHR-CZSQDQQPSA-N 320.473 4.091 0 40 DIAB biogenic COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1Cl 40098711 DAPLWUVTGFUDFU-JTQLQIEISA-N 308.765 4.133 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1cc(Cl)cc(Cl)c1 43209810 UKEDEDIWXFCTEU-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1 63790264 RQTYWHQWXXCWCF-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 71851074 ZXWBWKYQNZXTPA-CMPLNLGQSA-N 320.820 4.268 0 40 DIAB Fc1ccc(COc2nc(-c3ccccc3Cl)no2)cc1 72068236 WIEPQKXVTCJZMG-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB O=C(OC1(C2CC2)CC1)c1ccc(COc2ccccc2F)o1 75092204 UQFRTJOAJDHANS-UHFFFAOYSA-N 316.328 4.097 0 40 DIAB CCc1nc(CC(=O)Nc2c(C)ccc3ccccc23)cs1 83830272 PUBCSCRPGXNSDU-UHFFFAOYSA-N 310.422 4.348 0 40 DIAB COc1ccc([C@H](NC(=O)C2=CCCC2)c2ccccc2)cc1 95965966 FBTNCUAAVWPVLP-LJQANCHMSA-N 307.393 4.011 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1 96761834 MTAPGEPRQGRPGS-JLHYYAGUSA-N 313.828 4.491 0 40 DIAB Cc1ccc([C@H](CN[C@H](C)CSC(C)(C)C)N2CCCC2)o1 97016744 GQVIHCFILKMKMY-ZBFHGGJFSA-N 324.534 4.235 0 40 DIAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106925310 YEQUGIJYZILWFP-WSMBLCCSSA-N 317.860 4.313 0 40 DIAB Cc1ccc(S[C@@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225037834 NGFFPHSDODJXIX-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB COc1cccc(NC(=S)NCCSC2CCCCC2)c1 225356655 WJMATUYFEPWLMM-UHFFFAOYSA-N 324.515 4.048 0 40 DIAB CCc1ccc(NC(=S)NCCCc2cccc(C)c2)cc1 225391462 XFRPYPVIXAUHCK-UHFFFAOYSA-N 312.482 4.477 0 40 DIAB CCCCOc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 226273372 AMOVLUNEEDDOMK-AWEZNQCLSA-N 313.397 4.171 0 40 DIAB CC1=CC(C)(C)N([C@H](C(=O)O)C(C)C)c2ccc(Cl)cc21 260616143 FVBUHOWMESBCSR-HNNXBMFYSA-N 307.821 4.451 0 40 DIAB COc1ccc(Br)cc1C1SCCCS1 40399 HXPYJRJJMSOZLW-UHFFFAOYSA-N 305.262 4.326 0 40 DIAB COc1ccc([C@H]2CC(=O)c3cc(C)cc(C)c3O2)cc1OC 150935 WEFWMKYUKWLVQX-QGZVFWFLSA-N 312.365 4.027 0 40 DIAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 254795 CEKRDUGRJHELNU-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB O=c1cc(-c2ccccc2)[nH]c2cc(-c3ccc(Cl)cc3)nn12 334345 SGBJRBHMCXUOCU-UHFFFAOYSA-N 321.767 4.010 0 40 DIAB Cc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1 430399 IJDRJOCCIOBSTP-CPNJWEJPSA-N 313.356 4.493 0 40 DIAB CC(C)(C)c1ccc(OCCOCCOc2ccccc2)cc1 1698725 TXEZJBUXCYLUPX-UHFFFAOYSA-N 314.425 4.459 0 40 DIAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCC1 3246954 HRLRUOUDTOYBHN-UHFFFAOYSA-N 322.124 4.207 0 40 DIAB CCSc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 4585857 DRYVFBAUVZNPQG-UHFFFAOYSA-N 320.439 4.018 0 40 DIAB CCCC(=O)N(CCC)c1nnc(-c2ccccc2C)s1 4982375 WULHBRYYAQYWLO-UHFFFAOYSA-N 303.431 4.057 0 40 DIAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccccc1 5601752 XMGRKPNGUYAOCR-UHFFFAOYSA-N 323.392 4.428 0 40 DIAB CC(=O)c1c[nH]c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 7242739 DTMCDWAKVWIHLL-UHFFFAOYSA-N 324.424 4.146 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1ccccc1 9896732 JXUGXIHWZPUJFK-FQEVSTJZSA-N 316.404 4.455 0 40 DIAB Brc1ccc2nc(NCc3ccccn3)sc2c1 11919970 UNCWOOQWCOBZHE-UHFFFAOYSA-N 320.215 4.066 0 40 DIAB CCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 12820543 ZISGBPKHJOTBHK-AGXSTUJCSA-N 311.469 4.359 0 40 DIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(F)c1 12986171 VMANAWJZRAEZCT-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB Cc1ccc(C)c(CSCCC(=O)NC2CCCCC2)c1 13021305 FGPMFCRXOCSNSN-UHFFFAOYSA-N 305.487 4.376 0 40 DIAB Cc1ccc(/C=C/C(=O)NCc2ccc(OC(C)C)cc2)cc1 22516030 TXRMXTHGDXJKAA-JLHYYAGUSA-N 309.409 4.112 0 40 DIAB O=C1CSc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 28527774 GKQWXCKRCSXDOO-UHFFFAOYSA-N 318.785 4.011 0 40 DIAB COc1ccc2nc(C)c(C(=O)NC3CCCCCC3)cc2c1 29687947 OVORSPGTOUKOGB-UHFFFAOYSA-N 312.413 4.004 0 40 DIAB CCN(C(=O)c1c(-c2ccccc2)noc1C)c1ccc(F)cc1 36392742 BHJKFNAPSIKXPC-UHFFFAOYSA-N 324.355 4.456 0 40 DIAB CC(C)C(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1 43630150 SAIKXVUDVVMGCI-UHFFFAOYSA-N 322.861 4.286 0 40 DIAB Cc1nc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1 56487755 WXZCVSXJPQLUOQ-MWLCHTKSSA-N 321.421 4.020 0 40 DIAB C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1cccnc1)c1ccccc1 75094244 XXYCWCRVTPWJSS-GJZGRUSLSA-N 309.413 4.078 0 40 DIAB CC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1Cl 75610204 RNAFYTWOBJGGFA-MRXNPFEDSA-N 323.864 4.079 0 40 DIAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1c(F)cccc1Cl 95115915 DICSVDXFLYOYEE-AWEZNQCLSA-N 322.792 4.238 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2cccs2)c1 95422756 DKQYXICNERAQJL-QWHCGFSZSA-N 302.443 4.161 0 40 DIAB COc1ccccc1NC(=O)N1CCCC[C@@H]2CCCC[C@H]21 95457594 GLBYSCWIDGZIOI-GOEBONIOSA-N 302.418 4.272 0 40 DIAB Cc1nc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)ccc2[nH]1 95467407 LBMSRNJGIFZYIB-UHFFFAOYSA-N 323.396 4.127 0 40 DIAB C[C@H](c1cccs1)[S@](=O)Cc1ncc(-c2cccs2)o1 96461118 XXGHXQXQOAEVAO-SBKAZYGRSA-N 323.464 4.475 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CCCc2ccccc21 113959531 XGBWFRVMRHVFCO-PMACEKPBSA-N 323.436 4.346 0 40 DIAB C[C@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 118930582 OBPFOOAJNMZRDJ-QJUDQFFHSA-N 304.474 4.205 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)cc1C 138856684 LGVYVQPVEBJYIM-CQSZACIVSA-N 301.817 4.377 0 40 DIAB Cc1noc(C)c1-c1ccc2c(c1)[C@H](c1ccccc1)N(C)C2=O 220482602 CHAKVDDAHQGTLR-IBGZPJMESA-N 318.376 4.133 0 40 DIAB in-vitro O=C(CCc1cccc2ccccc12)N1CCc2ccccc21 222670785 HVXHNUYRFVNNSA-UHFFFAOYSA-N 301.389 4.362 0 40 DIAB O=C(CCSc1ccccc1)NCCc1ccc(Cl)cc1 223416688 TZJCNMPKVBGLID-UHFFFAOYSA-N 319.857 4.181 0 40 DIAB CC(C)(C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 225011067 VDUZAPWOLPPGBE-UHFFFAOYSA-N 320.285 4.389 0 40 DIAB CCCCOc1c(C)cc(NC(=O)C2(OC)CCCC2)cc1C 225627194 CGVMHNMXQDVNIH-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N(C)c2ccccc2)o1 226304030 HJEIAFLABDPPKA-UHFFFAOYSA-N 306.365 4.114 0 40 DIAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCC[C@@H](C)C1 257173633 SZMWUQCQNGCRLX-CYBMUJFWSA-N 312.388 4.068 0 40 DIAB CCCC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624715 UGHPNAXRUVEIHY-CZUORRHYSA-N 319.445 4.431 0 40 DIAB Cc1cc(C)cc(CN2CCn3c(-c4ccsc4)cnc3C2)c1 306132098 KYJJPCTUEXXLCJ-UHFFFAOYSA-N 323.465 4.244 0 40 DIAB Cc1nnc(NC(=O)c2cc(C)c(-c3ccccc3)s2)s1 526052449 ORNLWCIVFDERNS-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(-n3cccc3)c2)C1 591279806 CJNFNKFPXMFCGN-MRXNPFEDSA-N 316.404 4.316 0 40 DIAB CO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccccc1F 1615140664 SXFZXQKNAOFWNH-OALUTQOASA-N 305.437 4.180 0 40 DIAB O=c1oc2cc(O)ccc2cc1C=Cc1ccnc2ccccc12 2362801397 CNWVNZSCQUNIJF-UHFFFAOYSA-N 315.328 4.217 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 304712 QJVPISJEJCZFEW-UHFFFAOYSA-N 306.192 4.192 0 40 DIAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC)ccc32)cc1 348954 DDKSFLLFPDQYKG-UHFFFAOYSA-N 309.365 4.159 0 40 DIAB CCc1nc(SCC(=O)c2ccccc2)c2ccccc2n1 412508 YTXANJCOXDMGAF-UHFFFAOYSA-N 308.406 4.167 0 40 DIAB Fc1ccc(CNc2ncnc3c2[nH]c2ccc(F)cc23)cc1 537801 SIPPGMOINVDTPU-UHFFFAOYSA-N 310.307 4.001 0 40 DIAB CSc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 564131 HBKNOXSPDUSNRM-QGZVFWFLSA-N 322.433 4.120 0 40 DIAB COc1ccc(NC(=O)c2cccc(C)c2)cc1Br 570563 VSPJJLXSNDKRGX-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB O=C(CCN1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 1651135 LTSPJTBUKVYDFH-UHFFFAOYSA-N 313.372 4.287 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)c1 3342422 KHGKWBAKIPQODI-LJQANCHMSA-N 308.425 4.079 0 40 DIAB Cc1ccc([C@]23OC[C@H](Cn4c2c(C)c2cc(C)ccc24)O3)cc1 3999405 ODJHWQDAZVSYQQ-LAUBAEHRSA-N 319.404 4.197 0 40 DIAB biogenic CC(C)(O)C(C)(C)CN(Cc1ccccc1)Cc1ccccc1 4322007 CMAHNYRJNQYCBS-UHFFFAOYSA-N 311.469 4.486 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1nc2ccccc2s1 5062661 GMNNSBBPWOSRBF-HRFIDBLHSA-N 300.427 4.004 0 40 DIAB COc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 5244941 OIJBQBRPBUAEGA-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB CCOc1cccc(O)c2c(C)[n+](-c3ccc(C)cc3)c(C)c1-2 6784191 YGOAJCJLRGBPMJ-UHFFFAOYSA-O 308.401 4.098 0 40 DIAB COc1cccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c1 6897893 ZRGBDJYFPMFVML-MDZDMXLPSA-N 305.333 4.112 0 40 DIAB CC[C@H](C)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 7305804 MCAOELKIXCXSQQ-KXBFYZLASA-N 311.425 4.141 0 40 DIAB O=C(O)c1ccccc1[C@H](c1ccccc1)c1ccccc1O 8613264 DBXWCEYPSAOCII-IBGZPJMESA-N 304.345 4.271 0 40 DIAB Nc1ccc(-c2nc3ccc(Br)cc3s2)cc1 13522703 WZRRXNJALRCBNH-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB in-vitro O=C(c1ccco1)N1CCc2sccc2[C@H]1c1ccccc1 14236339 RUAKQMKFKXTKDN-QGZVFWFLSA-N 309.390 4.129 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 14739261 NGSCSTUMIBLNPU-XYPWUTKMSA-N 313.441 4.452 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2ccc(F)c(F)c2)no1 19119386 LZVKHXTXKXFSLL-KRWDZBQOSA-N 306.356 4.379 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(N)ccc2C)c1 19736073 VJQHIZCMBOQFAC-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 20193858 MUUDGWZZNIOULL-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 21806010 AHSIBFFAXPWKHY-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB COc1cc2c(cc1CN[C@@H](C)c1ccccc1F)O[C@H](C)C2 25363153 XQMKRVMBTHPWGB-OLZOCXBDSA-N 315.388 4.009 0 40 DIAB O=C(NCCC1=CCCCC1)c1sccc1-n1cccc1 29690162 YBMPDAAHBLOMKI-UHFFFAOYSA-N 300.427 4.159 0 40 DIAB CCC(C)(C)NC(=O)c1ccc(CSc2ccccc2)o1 32765577 UHWFQLQOLHKMDV-UHFFFAOYSA-N 303.427 4.490 0 40 DIAB CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)c1C 36617369 ZLPARMYEVBFXFD-UHFFFAOYSA-N 318.327 4.230 0 40 DIAB Oc1ccc(CCNc2ncc(C(F)(F)F)cc2Cl)cc1 40445376 YJNIJLBUKNYIPX-UHFFFAOYSA-N 316.710 4.114 0 40 DIAB CC[C@@H](C)c1ccc(O[C@H]2CCCNC2)c(Br)c1 42774566 QCMRKGDUFPJXTK-YPMHNXCESA-N 312.251 4.093 0 40 DIAB CCOc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CO2 53184724 RRQWNGSEMNJXDW-UHFFFAOYSA-N 303.789 4.091 0 40 DIAB CCc1noc(C)c1C(=O)N[C@H](CC(C)C)c1ccccc1 57463889 UUIAJHFZZAYDSV-MRXNPFEDSA-N 300.402 4.063 0 40 DIAB Cc1c(C[S@](C)=O)cccc1NC(=O)CCC1CCCCC1 71909696 MZXLBRWUPHXXGY-JOCHJYFZSA-N 321.486 4.173 0 40 DIAB CC(C)CNc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72213252 TXZQTBWPZRHKTM-OAHLLOKOSA-N 319.449 4.222 0 40 DIAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 72328945 WPYKEBNDEYWTIR-ZDUSSCGKSA-N 323.371 4.015 0 40 DIAB CC(C)Oc1cccc([C@H](O)c2ccccc2Br)c1 89064955 OHPGRETWXDHTDS-INIZCTEOSA-N 321.214 4.318 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccccc1F 89212765 OXFRDJBUZBAQLL-CYBMUJFWSA-N 308.397 4.027 0 40 DIAB C[C@H](N[C@H](C)c1cnccn1)c1cc2cc(Cl)ccc2o1 90034786 ICAQPQIFCILBNM-MNOVXSKESA-N 301.777 4.288 0 40 DIAB Cc1ccc(F)c(N(C#N)Cc2csc(-c3ccccn3)n2)c1 95427890 CZFQOGLCCKFGPV-UHFFFAOYSA-N 324.384 4.140 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)N2[C@H](C)CC[C@H]2CC)cc1C 95459125 IQBAJFGSGWHSJZ-UKRRQHHQSA-N 317.433 4.138 0 40 DIAB CC(=O)N1CCC(Nc2ccc(SC(C)(C)C)cc2C)CC1 95983060 LQHSUAVVZYLHNH-UHFFFAOYSA-N 320.502 4.308 0 40 DIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1ccccc1Cl 102183266 CYUJHOQGXMZASB-MBNYWOFBSA-N 311.878 4.373 0 40 DIAB CC1=C(O)C(C)(C)[C@H](c2ccc(Cl)cc2Cl)OC1=O 107570223 LUNDPZDBUWOVML-LBPRGKRZSA-N 301.169 4.450 0 40 DIAB Cc1cc(CO)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 216727636 AUWMYUKIJPAYCV-UHFFFAOYSA-N 312.409 4.312 0 40 DIAB CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 224014984 QKISTQVNRXMKRA-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C)c(C)c1 225089668 QSRZQHJFEYKTEE-IBGZPJMESA-N 309.409 4.119 0 40 DIAB CC1=CC(C)(C)N([C@H](C(=O)O)C(C)C)c2cc(C)c(C)cc21 260613164 DEVZEOXGPCWBIR-KRWDZBQOSA-N 301.430 4.415 0 40 DIAB CN1CCC[C@H]1CCOc1cc(F)ccc1Oc1ccccc1 585266206 KSWWHNZKVUBNMV-INIZCTEOSA-N 315.388 4.481 0 40 DIAB C=Cc1cccc(Oc2ccc(I)cn2)c1 685937863 XOONVJHUDLPORC-UHFFFAOYSA-N 323.133 4.122 0 40 DIAB CCc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CC 685937972 FBGDRIVRPGWSSC-UHFFFAOYSA-N 307.393 4.232 0 40 DIAB COc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009401 ZESFBLKXUCTZQC-HOTGVXAUSA-N 312.413 4.190 0 40 DIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 344578 LNNUZSAGJOQAPG-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB CCCCCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569383 YOCFAWSYGSKHED-GOSISDBHSA-N 303.446 4.337 0 40 DIAB C[C@@H](CN(C)C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698633 GYKTWUOGJHJSJV-KSSFIOAISA-N 309.881 4.306 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OC 2635869 XBJCEEBLYHUYQC-UHFFFAOYSA-N 313.397 4.254 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1 3357648 VIHKFRNFKORXJJ-LLVKDONJSA-N 306.768 4.227 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccc(Cl)cc1 4419320 QADSREZNDXEAIY-UHFFFAOYSA-N 321.763 4.289 0 40 DIAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 4555206 NMSSETOEIBVUBW-JCURWCKSSA-N 317.772 4.118 0 40 DIAB Oc1c(Cl)cc(Cl)cc1-c1csc(N2CCCC2)n1 5670226 GCFKHWXKIOZELS-UHFFFAOYSA-N 315.225 4.423 0 40 DIAB Cc1nc(C(=O)Nc2ccccc2)cc2c1[nH]c1ccccc12 5956705 GZRDNYAEAWYWJW-UHFFFAOYSA-N 301.349 4.277 0 40 DIAB biogenic O=C1c2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2)o1 6242904 BXTPKNLRDTWTFF-HNNXBMFYSA-N 322.389 4.026 0 40 DIAB Cc1ccc(N(C)C(=S)Nc2ccc3nccnc3c2)cc1C 6256181 MPKDJWSPLGXYBS-UHFFFAOYSA-N 322.437 4.080 0 40 DIAB Cc1nc2ccc(NC(=O)/C=C/c3cccs3)cc2s1 7670324 WCJONKWCWBFLGR-FNORWQNLSA-N 300.408 4.318 0 40 DIAB CSc1cccc(NC(=O)CCOc2cc(C)ccc2C)c1 7985900 FZOPGVSEYLYZMP-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1C 9140042 KURNXILIWSFMGX-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C)c3C)cc2c1 21031478 RXEJRXPFXZZWCL-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc3nc(C)ccc23)c1 21596120 IFSSDIXTEXNHJN-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB O=C(Nc1ccnn1C1CCCC1)c1cccc2ccccc12 28251217 VCDBQBGKLRURSZ-UHFFFAOYSA-N 305.381 4.404 0 40 DIAB CCN(c1ccc(NC(=O)c2sc(C)nc2C)cc1)C(C)C 30675956 MUEAPGHONPAOTN-UHFFFAOYSA-N 317.458 4.247 0 40 DIAB O=C(c1ccncc1)N(CCc1ccccc1)Cc1cccs1 32678899 OIZLJVNGMGYLKO-UHFFFAOYSA-N 322.433 4.028 0 40 DIAB C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 41155827 LCAXNOJYZSSGKV-AWEZNQCLSA-N 309.409 4.412 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1Cl 44883674 MQZHRJFGKBTPBE-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB O=C(/C=C/c1cscn1)Oc1ccccc1Cc1ccccc1 64866507 AJWQCCSHLHJXGJ-ZHACJKMWSA-N 321.401 4.353 0 40 DIAB Cc1ccccc1CN(Cc1ccccc1C)C[C@H]1CCCNC1 72204002 ZAUGVVOWBOGFRT-FQEVSTJZSA-N 322.496 4.305 0 40 DIAB CC(=O)N1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217635 ZRXQRMODONQHSE-QGZVFWFLSA-N 312.438 4.306 0 40 DIAB CC[C@@H]1CCc2ccccc2N1Cc1nnc(-c2ccco2)o1 75093983 VEMFJKBJYZNSKJ-CQSZACIVSA-N 309.369 4.061 0 40 DIAB CCN(C)[C@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1 89960839 GDODYCZCRBYHMQ-INIZCTEOSA-N 320.795 4.111 0 40 DIAB Cn1ccc([C@@H](NCCC2=CCCCC2)c2ccc(F)cc2)n1 95986428 SKMUVXSMIUBKQN-IBGZPJMESA-N 313.420 4.129 0 40 DIAB Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)o1 96058320 ZCLVVDRYRGXWIO-ACRUOGEOSA-N 324.468 4.199 0 40 DIAB Cc1ccc(NC(=O)CC[C@@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100362751 FCOGMMQNZJTDOD-FTRWYGJKSA-N 313.441 4.355 0 40 DIAB C[C@H](CNC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1 223412165 WYFLVVAKKYTYAG-HZPDHXFCSA-N 313.466 4.228 0 40 DIAB CC(C)C(NC(=S)Nc1ccc(F)c(Cl)c1)C(C)C 225327099 NTLNCSXSAABZDZ-UHFFFAOYSA-N 302.846 4.446 0 40 DIAB Fc1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225540424 LLKOQRLGEPOAOC-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)c1ccccc1 225789416 PPPSBEMZHAELIC-FQEVSTJZSA-N 323.436 4.386 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260624804 USZLGCZWFINSHK-ZBFHGGJFSA-N 303.446 4.429 0 40 DIAB CC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 385244 RDYKSXQEOZIUEX-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(C)cc23)cc1 504062 NMUOTDQZQIIQON-UHFFFAOYSA-N 318.380 4.040 0 40 DIAB Cc1cnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 3456184 QMADCFWKTISXBG-UHFFFAOYSA-N 322.389 4.328 0 40 DIAB COc1ccc(C)cc1NC(=O)CCc1c[nH]c2ccccc12 5701413 YJLJJRRXCOXRBM-UHFFFAOYSA-N 308.381 4.056 0 40 DIAB O=C(CSc1ccc(F)c(F)c1)Nc1ccc2c(c1)CCC2 6879661 GPRUIBJFYKWPIL-UHFFFAOYSA-N 319.376 4.184 0 40 DIAB O=C1c2ccccc2N[C@@H](c2c(F)cccc2Cl)N1C1CC1 7886005 DRTMFIAPRHGEKY-MRXNPFEDSA-N 316.763 4.208 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 8325957 AVDWPDNVDOHXOE-MRXNPFEDSA-N 313.441 4.471 0 40 DIAB C[C@H](Sc1ncccn1)c1nnc(-c2cccc(Cl)c2)o1 9460267 PHIBDFBECBOAJT-VIFPVBQESA-N 318.789 4.033 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)s1 10994914 FHBNQSVRAVVNMB-UHFFFAOYSA-N 311.406 4.019 0 40 DIAB Cc1cc(C(=O)NCC2(c3ccccc3)CC2)c2ccccc2n1 11750151 QVBCVEWKVPZZOW-UHFFFAOYSA-N 316.404 4.005 0 40 DIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccccc1)O2 11866488 UQKROXKCBJTFSK-HNNXBMFYSA-N 320.344 4.116 0 40 DIAB CCN(C(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 11916460 GOGMKCZUSXJGLK-UHFFFAOYSA-N 306.365 4.317 0 40 DIAB Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(O)c1 12600185 ATLGDGSDQRDYIC-UHFFFAOYSA-N 314.143 4.399 0 40 DIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1C 12781727 NYQRSQDCCLJOGO-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12815910 NUXZWLRQTKRDQQ-HUUCEWRRSA-N 324.424 4.162 0 40 DIAB CC(C)(C)c1ccc(-c2nn3c(C(C)(C)C)nnc3s2)cc1 13945081 LGKCKBMXZLFDFB-UHFFFAOYSA-N 314.458 4.448 0 40 DIAB COc1ccc(OC)c(C(=O)Nc2cccc3ccccc23)c1 13972685 ILJJNMKOYJVOFV-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB Cc1ccsc1C[C@@H]1C(=O)Nc2ccc(Br)cc21 15017938 VHNUOMMKZJHRGA-NSHDSACASA-N 322.227 4.097 0 40 DIAB Cc1cccc([C@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)c1 17055229 DZHSMABGZJPSIM-OAHLLOKOSA-N 320.367 4.233 0 40 DIAB Cc1nc(Nc2cc(Cl)ccc2Cl)sc1C(=O)O 20156545 BQKDGOPMQQYZHW-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)c(C)c1 22534629 CJWDWFOXYPUMCN-CQSZACIVSA-N 317.816 4.213 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22538083 OAKKUHJHDSNNJO-INIZCTEOSA-N 311.425 4.420 0 40 DIAB Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)nc1 27640420 VDIIFLAGXZAIEL-UHFFFAOYSA-N 300.427 4.363 0 40 DIAB Cc1nc2ccccc2nc1NCc1ccccc1OC(F)F 29434977 MNJRSTAGEFQRHO-UHFFFAOYSA-N 315.323 4.152 0 40 DIAB CN(C(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 29484641 TUHDPFCFWQYPKO-UHFFFAOYSA-N 321.401 4.256 0 40 DIAB Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(Cl)c1 40105491 MPBNISIRMXHGIO-XJKSGUPXSA-N 324.852 4.365 0 40 DIAB O=C(N1CCSc2ccccc21)C12CC3CC(CC(C3)C1)C2 41155166 SUJAEBZVBGRJCD-UHFFFAOYSA-N 313.466 4.342 0 40 DIAB CCCCCOc1ccc([C@@H](C)NC(=O)C(C)C)cc1OC 48518137 QJUIAIGNALHJMT-CQSZACIVSA-N 307.434 4.097 0 40 DIAB Fc1ccc(-c2cc(NCc3ccccc3)n3nccc3n2)cc1 72457981 JXAMOOIQTJKWCF-UHFFFAOYSA-N 318.355 4.148 0 40 DIAB Cc1cc(CSCc2ccc(OCC(F)(F)F)cc2)no1 79341433 VESZRJYXZPGWBT-UHFFFAOYSA-N 317.332 4.358 0 40 DIAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1CCc1ccccc1 84528455 PNEPHRMAAHLCMZ-OAQYLSRUSA-N 319.448 4.413 0 40 DIAB CCC[C@@H]1CCCN(Cc2csc(-c3ncccn3)n2)CC1 84740780 INDJMRALPVKJHV-CQSZACIVSA-N 316.474 4.002 0 40 DIAB COc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1 95095035 HWLRZKJIGGQENH-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 95098039 WRELXZYMFSHNAL-OAHLLOKOSA-N 314.429 4.293 0 40 DIAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccco1 96117134 QSNISCADEPYPQK-CQSZACIVSA-N 314.772 4.222 0 40 DIAB Cc1cc(N)c(NC[C@H](Cc2ccccc2)OC(C)C)cc1C 167354840 JHUOHRJBBOWDKY-SFHVURJKSA-N 312.457 4.334 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 222571550 QBFKREUTVISWRE-UHFFFAOYSA-N 323.318 4.180 0 40 DIAB CCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224218091 HYBYHRIJMIZUDI-KBXCAEBGSA-N 303.446 4.028 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C)cc1C 224606168 XGOBDBXHSGHBEI-IAGOWNOFSA-N 305.462 4.403 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2ccccc2F)cc1 225387326 JLSDFJKWWSDIND-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225638084 HUWNVJMYRBLBPV-ORAYPTAESA-N 319.445 4.236 0 40 DIAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1 225712579 NRRVDWKZVSRMSP-KDOFPFPSSA-N 305.418 4.009 0 40 DIAB CCc1ccc(CC)c(CNC(=O)Cc2cc(C)ccc2C)c1 225817611 XJEBWGLOSPBIBA-UHFFFAOYSA-N 309.453 4.287 0 40 DIAB Cc1cc(C(=O)NC[C@@H](c2ccsc2)c2ccco2)c(C)o1 1888930602 PTWPYESXLFYVEN-HNNXBMFYSA-N 315.394 4.113 0 40 DIAB Cc1ccc(NC(=O)NCC2(c3ccsc3)CC2)cc1C 1889035582 ISJSMXKMCGDTSJ-UHFFFAOYSA-N 300.427 4.218 0 40 DIAB c1ccc(-c2cccc(C3=N[C@H](c4ccccc4)CO3)n2)cc1 1988182096 BVYPCOPRSGDQGZ-IBGZPJMESA-N 300.361 4.267 0 40 DIAB Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C 516077 PGQHJVXODVWMPU-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1c1cccnc1 526129 WMFUXKHRHUOOFY-INIZCTEOSA-N 315.804 4.494 0 40 DIAB biogenic CCC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 560721 GDZUIADHIAUADW-UHFFFAOYSA-N 311.356 4.452 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 3524107 PPYDDUBOXVARIU-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 3560911 MXGUBUCGLLXELW-CMDGGOBGSA-N 311.259 4.139 0 40 DIAB O=Nc1c(-c2ccc(Br)cc2)nc2ccccn12 5324318 XHCRPIMQZNQKQF-UHFFFAOYSA-N 302.131 4.162 0 40 DIAB CCc1sc(C(=O)Nc2nc3ccccc3s2)cc1C 6880472 BCYRYDHHRFPEQP-UHFFFAOYSA-N 302.424 4.481 0 40 DIAB C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016280 LJPZRZPBKPEFGG-IRXDYDNUSA-N 322.452 4.417 0 40 DIAB CC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 7782222 VLDZWPBXMHZEEG-OAHLLOKOSA-N 306.409 4.223 0 40 DIAB O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4)n3)cc2o1 7786793 VOWRIQYVUOXHFG-UHFFFAOYSA-N 312.325 4.051 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1C 8238063 LDXSTZBXZBIPCD-OAHLLOKOSA-N 323.392 4.306 0 40 DIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 8734924 WBXGWOSWMZIJMS-GFCCVEGCSA-N 304.440 4.143 0 40 DIAB Cc1nc2ccc(C(=O)N[C@H](c3cccs3)C(C)C)cc2[nH]1 12147329 OUTKFCPEDGWOFO-INIZCTEOSA-N 313.426 4.060 0 40 DIAB c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)nc1 12475818 FTYVBZOTHLCBTQ-UHFFFAOYSA-N 318.405 4.365 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1csc(C)n1 12808463 HKSBDDILEWHBGR-ISZGNANSSA-N 318.467 4.062 0 40 DIAB CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nc2ccccc2[nH]1 14095507 ONCVAPGTTRJPCD-LJQANCHMSA-N 321.424 4.009 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 16046547 MYPHVPDNCQKJGM-CYBMUJFWSA-N 320.392 4.294 0 40 DIAB Cc1cc(F)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 16469472 BRWOVBCEBKRYKB-UHFFFAOYSA-N 311.278 4.334 0 40 DIAB COc1cc(OC)c(NC(=O)/C=C\c2ccccc2)cc1Cl 17023892 ZSENDNOAOKBSKC-HJWRWDBZSA-N 317.772 4.009 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2cccc(F)c2)cc1 19580533 GBBBGAYMSZNEIT-UHFFFAOYSA-N 324.355 4.279 0 40 DIAB COc1ccccc1CC(=O)N[C@@H](C)c1cccc2ccccc12 22974483 GRMGWBVBCRXDCC-HNNXBMFYSA-N 319.404 4.268 0 40 DIAB C[C@@H](NC(=O)c1ccccc1F)c1ccc(-n2cccc2)cc1 28303895 WDAVNXOKBZOMIE-CQSZACIVSA-N 308.356 4.107 0 40 DIAB Cc1cc(=O)n(Cc2c(F)cccc2Cl)c2ccccc12 32530247 FWAWRQHBMWOJPM-UHFFFAOYSA-N 301.748 4.151 0 40 DIAB C[C@@H](NC(=O)Nc1nccs1)c1cccc(C(F)(F)F)c1 42737254 QREOSFFOJOABIZ-MRVPVSSYSA-N 315.320 4.045 0 40 DIAB Cc1cc(C)cc(OCCSc2nnc(-c3ccco3)o2)c1 48354719 BOVFASVEPUOQMF-UHFFFAOYSA-N 316.382 4.118 0 40 DIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(Cl)s1 48805423 KKCXECCBXIFQQU-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB Cc1n[nH]cc1CNc1ncnc2sc(-c3ccccc3)cc12 68270679 YVBZVJBNPRNGSO-UHFFFAOYSA-N 321.409 4.002 0 40 DIAB CCn1c([C@H]2CCCN2C(=O)CCC(C)C)nc2ccccc21 69454193 IETQVDMJOJCCRZ-QGZVFWFLSA-N 313.445 4.156 0 40 DIAB C[C@@H](c1ccccc1F)N(Cc1nnc(C(C)(C)C)o1)C1CC1 69484618 AMNCFPZGWRTWFY-LBPRGKRZSA-N 317.408 4.232 0 40 DIAB COc1c(Cl)cc(C(C)C)cc1C(=O)N1CCCC[C@H]1C 72206565 MCRVEFLQFQNXQB-GFCCVEGCSA-N 309.837 4.487 0 40 DIAB CC(=O)N1CCC[C@@H]1c1cccnc1SC1CCCCC1 72217294 YRPZEYYPSVFBDX-MRXNPFEDSA-N 304.459 4.190 0 40 DIAB Cc1cc(N2CCc3ccccc32)ncc1[C@H](O)c1ccccc1 72223947 IXTPCCHYNBDDSQ-OAQYLSRUSA-N 316.404 4.166 0 40 DIAB CC(C)N(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CC1 84597203 XJFPMBZKYYMJES-KGLIPLIRSA-N 311.347 4.208 0 40 DIAB O=C(Nc1ncc(Cl)cc1Cl)c1cccc(Cl)c1 89228960 NASJNPMEZQOQOD-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1cccc([C@@H]2CCCCN2Cc2cnc3ncccn23)c1C 93684308 JJQALUKIRLHGEQ-IBGZPJMESA-N 320.440 4.073 0 40 DIAB c1sc(C2CC2)nc1CSCc1noc2c1CCCC2 95976126 WWSKYHYTQPYIJA-UHFFFAOYSA-N 306.456 4.321 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(O)c3)o2)cc1 158564854 PLLUAYMOBSUVIG-UHFFFAOYSA-N 323.348 4.125 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2ccccc2c1 222781175 NXNUQAUAFQPADC-CQSZACIVSA-N 323.367 4.063 0 40 DIAB CC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223200873 SCRBBRIMBXTYJW-HOCLYGCPSA-N 303.446 4.347 0 40 DIAB O=C(O)[C@H](Cc1cccc(Cl)c1)Oc1ccc(Cl)cc1 225058549 JSEBQJYGFNUTKH-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCc1ccccc1 225320958 BIZLPKXXXCSLKN-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB Cc1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 226308205 BTBFAOSXDZJDCD-UHFFFAOYSA-N 319.359 4.278 0 40 DIAB Cc1cc(C(N)=O)cc(C)c1OCc1cccc2ccccc12 226773470 XCIWWYFXZWEKDO-UHFFFAOYSA-N 305.377 4.135 0 40 DIAB O=C(CCC(F)(F)F)NCCc1ccc(-c2ccco2)s1 2086897053 WOYHBYHOSRATHK-UHFFFAOYSA-N 317.332 4.009 0 40 DIAB CSc1ccccc1C(=O)c1ccccc1CN1CC=CC1 2515884 DMSFZLYMDBRDCO-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1c(C)cc(C)cc1C 3328854 KNCOHVASWGKYDU-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CCCCC[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCC(=O)O 4404039 LAIUZQCFIABNDP-LTIDMASMSA-N 312.450 4.307 0 40 DIAB in-vitro CC(=C/c1ccccc1)/C=C1/N=C(c2ccccc2C)OC1=O 4714055 RJICTKFKKNJDGF-FGFUYGETSA-N 303.361 4.286 0 40 DIAB CCCCCc1nnc(NC(=O)c2cccc(Cl)c2)s1 4723904 VEBOSIRVAGUYQM-UHFFFAOYSA-N 309.822 4.177 0 40 DIAB CCC[C@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)OC[C@@H]1CC 4777614 BOADCXBIQVHDFM-WNMQOVRZSA-N 312.793 4.309 0 40 DIAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)o1 5016973 DONSCPOGCIGSID-MRXNPFEDSA-N 308.381 4.402 0 40 DIAB O=C1O[C@H](CSc2ccc(Cl)cc2)CN1c1ccccc1 5774302 USLCQAYBDZOYQP-AWEZNQCLSA-N 319.813 4.458 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 7007344 JGLLXXRUZXVXCF-UHFFFAOYSA-N 323.358 4.404 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1Cl 7402389 ULDVWSPTXSTRQH-UHFFFAOYSA-N 322.238 4.164 0 40 DIAB FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)c(Cl)c1 8319153 XDUMAHSRZQHPFB-UHFFFAOYSA-N 312.682 4.374 0 40 DIAB Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)o1 8811248 MMPLZKQOJNBGTI-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 11914412 WXAXIATYTDZWQS-UHFFFAOYSA-N 320.392 4.156 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]2CCCC[C@H]21 12569363 SVTFMRYDPCZBSH-RHSMWYFYSA-N 310.397 4.136 0 40 DIAB C[C@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 13001700 LUGXYBLNTKHIOM-NSHDSACASA-N 308.834 4.004 0 40 DIAB CCN(CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl 19366405 HLZZHRVERPITLD-CYBMUJFWSA-N 323.695 4.029 0 40 DIAB Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 20193259 GBHPWOVIGWMJKT-UHFFFAOYSA-N 304.349 4.313 0 40 DIAB Cc1cccc(C)c1NC(=O)CSCc1ccccc1F 23410846 VAPTVDJADFJQFW-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)(C)C 31867958 KQIXAFNNHZQXTK-UHFFFAOYSA-N 308.834 4.300 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(OCc2cccnc2)cc1 32063024 WTESAIPSHWOUNS-UHFFFAOYSA-N 324.424 4.113 0 40 DIAB CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1 32761008 IAFXJLWPBDDUHB-UHFFFAOYSA-N 317.388 4.265 0 40 DIAB C[C@H](CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 34045842 DWVQIDLQGUKRLS-SNVBAGLBSA-N 314.223 4.077 0 40 DIAB Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccs1 59474584 OVYLBWPFWMMTEK-UHFFFAOYSA-N 300.210 4.293 0 40 DIAB Cc1cc(F)cc2c1N(C(=O)c1ccc3ccccc3n1)CCC2 66786184 CYLRRZPMCSODDL-UHFFFAOYSA-N 320.367 4.275 0 40 DIAB COc1cccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)c1 71977604 XXFRAPCSOCOMLF-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccc(F)c(Cl)c1 72025429 GYBZJGDOYXTTNE-GFCCVEGCSA-N 320.795 4.082 0 40 DIAB [O-][n+]1ccccc1SCc1cccc(OCc2ccccc2)c1 72047696 PZTVCVCAAOLEQM-UHFFFAOYSA-N 323.417 4.191 0 40 DIAB CC(C)CNc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72213261 FLANQMQAPSNJGZ-SFHVURJKSA-N 323.440 4.127 0 40 DIAB Cc1cnc2ccccc2c1N1CCO[C@H](c2ccc(F)cc2)C1 76093056 BPHDXWMFWVUIIF-IBGZPJMESA-N 322.383 4.260 0 40 DIAB CCOc1cc(CO)c(Cl)cc1OCc1ccccc1C 95095060 UJXMBLPKGPOSNX-UHFFFAOYSA-N 306.789 4.118 0 40 DIAB CCCC1CCC(CNC[C@@H]2CCN(CC(F)(F)F)C2)CC1 95430568 ZIOFCMHNVSHYQE-GPANFISMSA-N 320.443 4.067 0 40 DIAB Cc1ccc(CN[C@H](C)c2cncc(F)c2)c(OC(C)C)c1 95969189 ATECTVBNYHEWEI-CQSZACIVSA-N 302.393 4.167 0 40 DIAB C[C@H](NC(=S)Nc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102193796 XZKCLKHVIYSXGI-CYDGBPFRSA-N 308.878 4.451 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1Cl 115699186 MPTLSXGFIYUVPB-LBPRGKRZSA-N 303.789 4.148 0 40 DIAB CC(C)(C)c1ccc2oc(Cc3ccc4c(c3)OCO4)nc2c1 199749521 RHCDRFSGNUORJS-UHFFFAOYSA-N 309.365 4.445 0 40 DIAB c1csc(C2=N[C@H]3SC(c4cccs4)=N[C@H]3S2)c1 226757352 OWGONMGDVRAGSN-RYUDHWBXSA-N 308.478 4.149 0 40 DIAB COC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 28497 XHUBDDQVDYIGFL-UHFFFAOYSA-N 320.348 4.270 0 40 DIAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc2ccccc12 55427 IJALZSNWEUNIGS-LDADJPATSA-N 317.319 4.323 0 40 DIAB Cc1cc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)no1 195654 NDRNHMDWRWQAJC-IBGZPJMESA-N 318.380 4.369 0 40 DIAB CCc1ccc(NC(=O)c2ccc(Br)cc2)cc1 239117 XYOPJAVRQHHYCR-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB CC(C)(C)C1CCC(OC(=O)c2ccc3c(c2)OCCO3)CC1 340440 XMDIEDGNZHHADV-UHFFFAOYSA-N 318.413 4.220 0 40 DIAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)cc1 348629 DEMNLMWHSBKOET-UHFFFAOYSA-N 323.801 4.139 0 40 DIAB Cc1cc(C)cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)c1 422979 UTVVKZYDGDZOTK-VQIMIIECSA-N 308.381 4.073 0 40 DIAB Cc1ccc([C@H](CC(=O)N2CCCC2)c2ccccc2)c(O)c1C 531419 HXWPDLNZSWKLJM-LJQANCHMSA-N 323.436 4.153 0 40 DIAB COc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 567823 WIVMUDVEDFANGO-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB CCOc1ccccc1NC(=O)CCCOc1ccccc1C 1772479 PQTRMMMOTOMNQY-UHFFFAOYSA-N 313.397 4.191 0 40 DIAB COc1cc(NCCCCCCNC(C)C)c2ncccc2c1 1873658 WYZOLWJQDGRXIJ-UHFFFAOYSA-N 315.461 4.214 0 40 DIAB O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1 4063213 KCEVOHXULJUIFT-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CC(=O)Oc1ccc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 5389441 SRZZJSRTPWVXAD-HAZDJWDLSA-N 300.398 4.148 0 40 DIAB C[C@H](NC(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 5444021 CMLSSHAYTDPMOG-UHSVVUDUSA-N 301.405 4.160 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 5467012 XGAMINBELZRLFP-ZIAGYGMSSA-N 311.853 4.440 0 40 DIAB Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 6190330 XJOJTXVYSRMVJY-UHFFFAOYSA-N 301.396 4.363 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1ccccc1Br 6222319 GHEQDJFHCLKLEF-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB O=C(Nc1cc(F)ccc1F)c1ccccc1C(F)(F)F 6376596 KVTDNTGGVYJKKQ-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C1N(c2ccccc2)N=C2CCCCCCCCCC[C@]12O 6575395 BTOHHITWUFDBAD-LJQANCHMSA-N 314.429 4.035 0 40 DIAB CCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7262357 DMEKZSYMJDVOOV-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB CC(C)Nc1nc(-c2ccc(Br)s2)cs1 7763152 AYUBTQIDYSQMFU-UHFFFAOYSA-N 303.250 4.454 0 40 DIAB CCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 8628192 KKNWLDAZEQGJTF-KRWDZBQOSA-N 307.397 4.224 0 40 DIAB Cc1sc(NC[C@@H]2CCCO2)nc1-c1c[nH]c2ccccc12 8987586 DASSOEQXPAZYPW-LBPRGKRZSA-N 313.426 4.191 0 40 DIAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 13020580 IWIQKLNVQHAVCR-LLVKDONJSA-N 317.458 4.108 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)c(F)c1 13847310 PTVWPFFOYJTUQQ-INIZCTEOSA-N 305.324 4.069 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 13994500 YZOUXLPWHLGSRW-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB O=C(NCCc1nc2ccccc2s1)c1cc2ccccc2o1 14109938 PSGOWIABDPUMGC-UHFFFAOYSA-N 322.389 4.015 0 40 DIAB O=C(Cn1ccc2ccccc21)Nc1ccccc1C(F)(F)F 14137339 MBZUOFHXCXUNFD-UHFFFAOYSA-N 318.298 4.299 0 40 DIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 15417851 YFXPUUDVMFQNJS-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB Cc1cccc2nc(CSc3cccc4cccnc34)cn12 15906839 GTDIXKBXTRWJOH-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB O=C(CSc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 15926575 BSVDHDSGYDBVOV-UHFFFAOYSA-N 315.482 4.111 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1OC 20036230 JLEDIOQHQGRKHZ-CQSZACIVSA-N 319.788 4.145 0 40 DIAB Nc1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 20192979 BNVMFVLWUWDUCH-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1OC 20459442 YOWDEEMJAOUKJO-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB Cc1ccc(C)c(OCc2ccc(C(=O)NC3CCCC3)o2)c1 27984691 QNJZGHFEIIHIQQ-UHFFFAOYSA-N 313.397 4.148 0 40 DIAB CCN(C(=O)Nc1ccccc1OC)[C@H](C)c1ccc(F)cc1 40150515 HDQJGNXTLNRVTH-CYBMUJFWSA-N 316.376 4.449 0 40 DIAB Clc1cc(Br)ccc1OCC[C@H]1CCCCN1 42772264 CBFQHMHLCRGZOA-LLVKDONJSA-N 318.642 4.014 0 40 DIAB Cc1cccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nccs2)c1 72292353 XZUMOBQDWNPTEG-GDBMZVCRSA-N 314.454 4.309 0 40 DIAB CC(=O)N1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 72353794 ZNLNPEVBSHKHTI-HXUWFJFHSA-N 322.452 4.015 0 40 DIAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@@H](C)c1ccc2ccccc2c1 89948701 YDUSXYLTWIEXSB-XPIZARPCSA-N 324.468 4.137 0 40 DIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](c1ccco1)C(C)(C)C 96486905 IWYFWBBDSWRKQK-GTNSWQLSSA-N 317.433 4.017 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)on1 127981288 AIGOGGCWGWCGBG-GFCCVEGCSA-N 322.339 4.072 0 40 DIAB Cc1nc(-c2ccccc2NC(=O)Cc2ccsc2)cs1 208010055 XIMDOISGFCJIMF-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C 223217918 CKRLIVHHZPHGCX-INIZCTEOSA-N 301.430 4.339 0 40 DIAB CCCC[C@H](C(=O)O)N1c2ccc(F)cc2C(C)=CC1(C)C 223223441 PTWAOMYSXCIQQB-MRXNPFEDSA-N 305.393 4.471 0 40 DIAB CCCCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C 224336038 DWPCVLSPTDAGGN-UHFFFAOYSA-N 317.364 4.154 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 31500 MKINGPFIJBIRTL-JTQLQIEISA-N 321.471 4.091 0 40 DIAB c1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1 354171 JIAZAZLJYAUUKH-UHFFFAOYSA-N 309.438 4.225 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1ccc(Br)cc1 516036 AOWMJNYIUYGSHH-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB O=C(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1 1685655 NWFJIBVQGLMVTB-UHFFFAOYSA-N 302.373 4.196 0 40 DIAB CCCCc1ccc(NC(=O)CSc2ccccn2)cc1 2383575 HZVJHVBRYMUCST-UHFFFAOYSA-N 300.427 4.155 0 40 DIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@]1(C)CC1(Cl)Cl 2872760 HJBOIBHMZAMTKV-OTYXRUKQSA-N 316.203 4.077 0 40 DIAB CCCOc1ccc(C(=O)[C@@H](CN(C)C)c2ccccc2)cc1 3068305 XPCSEUAVZBRTEN-IBGZPJMESA-N 311.425 4.004 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1 3387716 SHHKAZBWJDZSTA-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 3443784 RYIWRWYIEFTLRQ-LBPRGKRZSA-N 321.779 4.044 0 40 DIAB CCn1c(CNC(=O)CCc2ccccc2)cc2cc(C)ccc21 4973485 ABNFZILTXUWXGT-UHFFFAOYSA-N 320.436 4.219 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(C)c(C)c1 5509422 YYBTWLXPBZOOAX-UHFFFAOYSA-N 317.816 4.455 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccncc1 5636342 WQSYWHZUYUXMFO-VXGBXAGGSA-N 320.845 4.093 0 40 DIAB CCC(=O)[C@](CCN(C)C)(c1cccs1)C1CCCCC1 5964798 MTUJSLYLOCBLKQ-GOSISDBHSA-N 307.503 4.497 0 40 DIAB Cn1c(CSCc2ccc(Cl)c(Cl)c2)n[nH]c1=S 6557182 ALHHNXZDQZLLQC-UHFFFAOYSA-N 320.270 4.218 0 40 DIAB c1nc(Sc2ccc3c(c2)OCCCO3)c2ccsc2n1 7980340 OAYCYUQPJXQGJC-UHFFFAOYSA-N 316.407 4.004 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 8390646 GYEJTIIVDYVGDL-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB Cc1nc2ccc(Cl)cc2c(O)c1CN1CCC[C@@H](C)C1 8700898 WIYFKEZSQPKYHG-LLVKDONJSA-N 304.821 4.134 0 40 DIAB O=C(CCc1cccc(F)c1)N[C@@H]1CCSc2ccccc21 8769870 DPQDYCNRXLUKPE-MRXNPFEDSA-N 315.413 4.112 0 40 DIAB Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccccc2)c1C 10310906 XAXYKJGTFLHZQL-IBGZPJMESA-N 308.425 4.079 0 40 DIAB CSc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 11422554 UIDWSBMKKWKXMJ-UHFFFAOYSA-N 304.440 4.271 0 40 DIAB C[C@H](NC(=O)c1sccc1-c1ccccc1)c1ccncc1 12532696 FUXXVAATKLQCRY-ZDUSSCGKSA-N 308.406 4.301 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 14006583 AZDZOTWFAJVFLH-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB COc1cc2[nH]c(=O)c(-c3ccccc3)c(C3CC3)c2cc1OC 19957195 PAIUHXGAPJGFSR-UHFFFAOYSA-N 321.376 4.090 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2)c(Cl)c1 20458450 VNAWCVPPAZNTES-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB CC[C@@H](C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 22414976 IGLKEFSPDCJWNY-CYBMUJFWSA-N 301.361 4.280 0 40 DIAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n(C2CCCC2)n1 28241881 CYJQMGVGQUGQFD-IAGOWNOFSA-N 309.413 4.049 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1c(F)cccc1F 32753991 UFWKROUTWXBDHC-UHFFFAOYSA-N 318.710 4.419 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@H]2C[C@@H]2C)n1 32986015 OUMKWRGWMLDUEX-CABZTGNLSA-N 311.410 4.194 0 40 DIAB COc1ccc([C@H](O)c2ccc(Cl)cc2Cl)cc1OC 40243481 SGJXFDSTRHLZAZ-HNNXBMFYSA-N 313.180 4.092 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 40478351 MYASVHVUJORVAN-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Clc1cc(Cl)c(OCCC2CCNCC2)cc1Cl 42772313 DPGWWTYNEWGPFD-UHFFFAOYSA-N 308.636 4.415 0 40 DIAB O=C(c1cccc(Br)c1)c1ccc(Cl)c(F)c1 43210070 AYPHPSYLEVVAHE-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccc(O)cc23)cc1 45357764 OFKNILXLOVIKRS-UHFFFAOYSA-N 322.408 4.473 0 40 DIAB Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)no2)[nH]n1 46914337 JPTDRZGUXXELBQ-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB CC(C)c1ccc(OCc2csc(-c3ncccn3)n2)cc1 48339846 VJFQQEFEKAFPPH-UHFFFAOYSA-N 311.410 4.303 0 40 DIAB CC(C)CC(=O)Nc1cccc(CNCc2cccs2)c1 64411734 KWEQLLKXOXDQFZ-UHFFFAOYSA-N 302.443 4.023 0 40 DIAB Cc1nc(-c2ccc(C(=O)NCc3ccccc3)cc2)cs1 64677394 FRGQRZPQQRIHGA-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB C[C@H](NC(=O)Nc1cccc(SC(F)F)c1)c1ccncc1 67356420 ROJSGNWIAQJCDP-JTQLQIEISA-N 323.368 4.279 0 40 DIAB CCOC(=O)/C=C/c1ccc2cc(Br)ccc2c1 83291672 QNXBMHBPKLMPKT-XBXARRHUSA-N 305.171 4.179 0 40 DIAB C[C@H](N[C@H](C)c1nc2c(s1)CCC2)c1ccc(F)cc1F 95450962 QQUIADPCFWZFLX-VHSXEESVSA-N 308.397 4.322 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@H]1C[C@@H]3CC[C@@H]1C3)OCO2 100226562 WJRFPNFAKYJALO-UMVBOHGHSA-N 315.413 4.133 0 40 DIAB CCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 113969062 VSYMGDNHGGZSHK-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1Cl 224115730 LMYFLDUVPCTVGM-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225541845 ZTSZQZPSVXVKRM-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1 225621737 YNKDOOKLFBRBES-SFHVURJKSA-N 307.434 4.398 0 40 DIAB CCc1cc(N)cc(Br)c1N1[C@H](C)CCC[C@H]1C 226315427 AUICPRMIIDMIOS-GHMZBOCLSA-N 311.267 4.361 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2cc(C)ccc2C(C)C)cc1 226762099 HPXCKRDCEANPKU-UHFFFAOYSA-N 304.411 4.195 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1ccc(Cl)s1 575608033 HWVURRBQFZRLAU-UHFFFAOYSA-N 307.758 4.185 0 40 DIAB c1ccc([C@H]2CCOC3(CCN(Cc4ccncc4)CC3)C2)cc1 2037769675 JLEBLXIDWGFOIZ-FQEVSTJZSA-N 322.452 4.010 0 40 DIAB Cc1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 38478 VHXWGLGXWIJSSF-UHFFFAOYSA-N 311.164 4.286 0 40 DIAB COc1ccc2ccccc2c1/C=C1/C(=O)Nc2ccccc21 574898 BEQIBGIGDJSTKJ-SFQUDFHCSA-N 301.345 4.341 0 40 DIAB CCCC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1986348 MJXZZFMKSNHVHV-UHFFFAOYSA-N 317.410 4.330 0 40 DIAB CCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC 2132977 FMCAVURUMVRCLY-UHFFFAOYSA-N 309.365 4.206 0 40 DIAB biogenic Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C 4034626 ZJVZRHBVSDKYIE-UHFFFAOYSA-N 318.376 4.163 0 40 DIAB COc1ccc(Cl)cc1NCc1nnc(-c2ccccc2)o1 4539002 RXBDUPQHXNBYKI-UHFFFAOYSA-N 315.760 4.011 0 40 DIAB CCN(Cc1ccncc1)C(=O)Nc1cccc2ccccc12 5322127 IDDXPEVLICGDEM-UHFFFAOYSA-N 305.381 4.289 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(F)cc1 5509807 FBZNPJDCUNQNFF-ZDUSSCGKSA-N 301.361 4.357 0 40 DIAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12CC(C)=C(C)CS2 5602920 SYTPPPINRXBZHH-INIZCTEOSA-N 320.845 4.275 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl 5944750 DQHBOCYWJHNRJU-UHFFFAOYSA-N 315.587 4.223 0 40 DIAB Cc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 7623679 TZVPATZMHJYICB-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB Oc1cccc2c(NC(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)cccc12 7786937 NWTJRMZDIJZYEF-HWWQOWPSSA-N 312.438 4.020 0 40 DIAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)c1cccs1 8726896 VUCNTQJVOHGCRH-AWEZNQCLSA-N 324.449 4.333 0 40 DIAB O=C(O)c1ccc(OCc2nc(-c3ccccc3)cs2)cc1 11851349 CFTQOAXMMVHNIG-UHFFFAOYSA-N 311.362 4.087 0 40 DIAB COc1ccccc1NC(=O)N[C@@H]1CCSc2ccccc21 12980622 IBCNMKQCWPQISV-CYBMUJFWSA-N 314.410 4.054 0 40 DIAB CC1CCC(NC(=O)CCCc2nc3ccccc3s2)CC1 13005651 LFGFPLWOGNWCCD-UHFFFAOYSA-N 316.470 4.314 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)CCc2ccco2)c(C)n1C(C)C 13010294 LZIRKOYMBZMGKQ-ZDUSSCGKSA-N 302.418 4.030 0 40 DIAB Cc1cc(-c2ccc(/C=C/C(=O)O)o2)ccc1Br 16282258 JDASWVPMTILVPA-QPJJXVBHSA-N 307.143 4.115 0 40 DIAB S=C(Nc1ncc(Cl)cc1Cl)NC1CCCCC1 16383446 HDWFCGULYKLBDC-UHFFFAOYSA-N 304.246 4.008 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1c2ccccc2C[C@@H]1C 19932351 ZLFAYSSAUZHALL-KXBFYZLASA-N 323.436 4.439 0 40 DIAB COc1ccccc1CN(C)C(=O)/C=C/c1ccccc1Cl 20048214 HLWUAFKASJBUCE-VAWYXSNFSA-N 315.800 4.020 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)c1 20495951 RBKOIZTWWVZMIL-UHFFFAOYSA-N 321.380 4.421 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1 20632698 ORCLEJYCQQXCQM-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB O=C1c2ccccc2-c2cc(N3CCCCC3)nc3cccc1c23 20759988 JYHQOXJRKHOQDK-UHFFFAOYSA-N 314.388 4.437 0 40 DIAB biogenic C[C@@H](CNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 21905856 QLOZQNLBCKCTPQ-INIZCTEOSA-N 303.405 4.302 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21 22512066 QCWDCJOQSRPHMV-INIZCTEOSA-N 315.800 4.087 0 40 DIAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 36625217 LDKMEOYDEDCZBM-LBPRGKRZSA-N 305.780 4.289 0 40 DIAB CC(C)(C)c1cn2nc(NCc3ccccc3Cl)sc2n1 40039751 JMXNIZDDFRZPLN-UHFFFAOYSA-N 320.849 4.354 0 40 DIAB Clc1cccnc1SCc1cc(Cl)c2c(c1)OCO2 58356324 BBLBQBQVPMTSBX-UHFFFAOYSA-N 314.193 4.409 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1ccc(F)c(C)c1 71326125 AHDQRYFTXZPCNV-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB COc1ccc([C@H](C)CN2CCC(Cc3cccnc3)CC2)cc1 95468643 ITHMHVYUEDYUHW-QGZVFWFLSA-N 324.468 4.148 0 40 DIAB CC(C)c1nnc(CSc2ncc(C(C)C)n2C(C)C)n1C 95960730 IBGXSELCISMGBL-UHFFFAOYSA-N 321.494 4.132 0 40 DIAB COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1Cl 96171270 SBQZPPHVFZBSIE-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB C[Si](C)(C)O[C@]1(C#N)CCCc2cc(Br)ccc21 223659724 TYQFWSSHPRRTTN-AWEZNQCLSA-N 324.294 4.356 0 40 DIAB CC(C)(C)c1ccccc1O[C@H](Cc1ccc(F)cc1)C(=O)O 225053719 XHVPPJHOMVHWOW-QGZVFWFLSA-N 316.372 4.198 0 40 DIAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1C)C(=O)O 225076471 MDRSQMPKFIKRPA-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 225897378 FHTJUDOKRQCSKJ-SFHVURJKSA-N 322.449 4.184 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226254275 WNJFPZZHGPDLJK-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1cccc(Cl)c1 408530811 RRFWXAVZXZSTGG-UHFFFAOYSA-N 310.740 4.016 0 40 DIAB Cc1csc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)n1 561887793 LMQFCNYAEVHOEN-WDEREUQCSA-N 319.336 4.051 0 40 DIAB CCO[C@@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2037115 ZCWZJTVHQILIHZ-VIFPVBQESA-N 304.000 4.452 0 40 DIAB CCOc1ccc(Oc2c(C=O)c(C)nn2-c2ccccc2)cc1 3257646 PJLPVXDSCAFOLI-UHFFFAOYSA-N 322.364 4.184 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCOc1ccc(C)cc1 3409940 SVOMBZLHOMESGG-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 3431010 HQOAKOWSANSVHP-SNVBAGLBSA-N 309.743 4.038 0 40 DIAB O=C(COc1ccc2c(c1)CCC2)Nc1cccc2ccccc12 3512390 RPXCYWCEGDPLJH-UHFFFAOYSA-N 317.388 4.346 0 40 DIAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1 5205354 UJNRTIQEQOJPAZ-UHFFFAOYSA-N 310.784 4.020 0 40 DIAB COc1ccc(CNC(=O)c2ccccc2C)c(C(C)(C)C)c1 6925075 SJSXMGMRICVATL-UHFFFAOYSA-N 311.425 4.231 0 40 DIAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)cc1 7601382 DSQPVFKHRLTHCH-UHFFFAOYSA-N 324.453 4.304 0 40 DIAB CC(C)CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699796 AMZNLHWCVDTWBZ-UHFFFAOYSA-N 317.816 4.305 0 40 DIAB CCOc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1 7813830 IVUIVWBTAJNLKN-UHFFFAOYSA-N 318.380 4.333 0 40 DIAB Cc1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)c(C)c1 9252994 ITYPDNTZJPFAQY-UHFFFAOYSA-N 320.436 4.031 0 40 DIAB CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 12235803 LYZGFCUYUCVTTN-UHFFFAOYSA-N 302.736 4.080 0 40 DIAB Cc1ccc2c(c1)/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2 12462553 KWJNNPSQWWIDEU-KTKRTIGZSA-N 305.548 4.251 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C 12534803 MGCWBZWMBNVVFR-OAHLLOKOSA-N 312.413 4.060 0 40 DIAB C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 12909036 JKPKACYVQXCYTL-CYBMUJFWSA-N 313.351 4.001 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)cc1 16343356 PGFIREFXQOSLNA-LBPRGKRZSA-N 322.861 4.169 0 40 DIAB Cc1ccc(-c2cn(Cc3ccc(Cl)cc3)c3[n+]2CCC3)cc1 17248000 UTZZQJLEKCJZCN-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB COc1cc(C)c(NC(=O)Nc2ccc(Cl)cc2)cc1OC 18176653 XDDGPYOMQXFJDW-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 20488403 YQZOUCQINVGNJI-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C)c1 20490044 ZUPZKXYRNFBARC-GOSISDBHSA-N 311.425 4.086 0 40 DIAB Cc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cs1 22557380 PKBVKDBZVIGTAO-UHFFFAOYSA-N 322.846 4.182 0 40 DIAB COc1cc2c(cc1CN[C@H](C)c1ccccc1C)O[C@@H](C)C2 22777492 GAOSVTVSRXCOEZ-LSDHHAIUSA-N 311.425 4.178 0 40 DIAB O=C(Cc1cccs1)N[C@H](c1ccccc1)c1cccs1 26910613 SNKYFEFEUFJTTO-QGZVFWFLSA-N 313.447 4.258 0 40 DIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc[nH]c1=S 31245777 KRWFWGHAWUHGGH-UHFFFAOYSA-N 314.410 4.318 0 40 DIAB CC(C)N(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 31628048 NZGPVVILHDQKBZ-GOSISDBHSA-N 303.833 4.284 0 40 DIAB CCn1cc(C(=O)Nc2cccc3ncccc23)c2ccccc21 32787128 DYFNYTJBZLPIGJ-UHFFFAOYSA-N 315.376 4.462 0 40 DIAB O=C(c1ccoc1)N1CCc2sccc2[C@H]1c1cccs1 32842972 ALBCDJGWDBZKPS-HNNXBMFYSA-N 315.419 4.191 0 40 DIAB c1ccc(C2=N[C@@H](c3ccccc3)N3C[C@@]23c2ccccc2)cc1 36020486 WBGPXLGRLVZYHL-GNLJQLLCSA-N 310.400 4.399 0 40 DIAB C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1cccs1 36398428 VYURVYWYQGUPLE-GFCCVEGCSA-N 307.846 4.082 0 40 DIAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1 40144550 CSNICCXTQZLIPF-SNVBAGLBSA-N 316.763 4.451 0 40 DIAB COc1ccc(NC(=O)N(C)Cc2sccc2C)cc1Cl 43331866 YXRTWXJAVQHOFD-UHFFFAOYSA-N 324.833 4.382 0 40 DIAB CNc1nc2c(s1)[C@H](c1ccc(SC)cc1)CC(O)=N2 61720738 GRPGJAKZOFQFNQ-JTQLQIEISA-N 305.428 4.030 0 40 DIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C 71837353 UERKSSQVRWAKMP-JENIJYKNSA-N 308.425 4.099 0 40 DIAB CCCN1CCCC[C@H]1c1cccnc1N1CCCCCC1 72216721 WNLURJNNFYTTSL-SFHVURJKSA-N 301.478 4.399 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2)cnc1N(C)c1ccccc1 72222307 ATANZASDFKJSGE-IBGZPJMESA-N 304.393 4.240 0 40 DIAB Cc1cc(C)c([C@H](O)c2ccccc2Br)cc1C 86493387 HJOXPQWDTWKITA-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB O=C(c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F 95917437 XOTAROWRQZHMHS-UHFFFAOYSA-N 300.663 4.470 0 40 DIAB CC(C)(C)n1cnc(NCc2ccc(Oc3ccccc3)o2)n1 95943669 UFMHEVGCJMVCGS-UHFFFAOYSA-N 312.373 4.031 0 40 DIAB O=C(OCc1cccs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102991538 NNQQGHIOSBWNMN-CPWXYTRJSA-N 310.846 4.369 0 40 DIAB COC(=O)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 216805918 BYHNTSUKXOFOLE-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB Cc1ccc(CCC(=O)NCCSc2ccccc2)cc1C 223765182 SUQFVIYKJITTDP-UHFFFAOYSA-N 313.466 4.145 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCC 224693625 WJGSIMKPHQVPRF-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB Cc1cccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225019077 UFOHIIBUIXCPCA-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 226260812 YHUCONBFTOMCKO-UHFFFAOYSA-N 323.396 4.114 0 40 DIAB O=C(CCSc1ccccc1)NCCSC1CCCCC1 409025464 VIXNOMHKZXUJEQ-UHFFFAOYSA-N 323.527 4.351 0 40 DIAB Oc1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 33596 MRKQQOBCZIBUNK-UHFFFAOYSA-N 307.136 4.416 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2F)cc1 505750 XEBLYPJIQGHGQO-CYBMUJFWSA-N 301.361 4.357 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3ccccc32)c1 509010 XXUAWMWUWHJGCB-UHFFFAOYSA-N 309.409 4.087 0 40 DIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1 509726 RGRBKUGMRQHHIF-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB Cc1ccc(-c2nnc(C)nc2-c2c[nH]c3ccccc23)cc1 1424161 GYHWFUIEQXFBEC-UHFFFAOYSA-N 300.365 4.304 0 40 DIAB Cc1cc(-n2c(C(F)(F)F)nn(C)c2=S)ccc1C(C)C 2561814 QMPXZSNVGBGATE-UHFFFAOYSA-N 315.364 4.391 0 40 DIAB CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)CN(C)[C@H]1C 2750099 HXMYADUYVHAIOZ-XAUMDUMWSA-N 317.473 4.221 0 40 DIAB COc1ccc2c(CC(=O)Nc3cc(F)ccc3C)coc2c1 3566267 SUTRBCFCMGEQEP-UHFFFAOYSA-N 313.328 4.070 0 40 DIAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H](C)C1(C)O 4555396 XDCSRNLDRQBFAD-FVCZOJIISA-N 309.453 4.438 0 40 DIAB O[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)N1c1ccccc1 4825100 VYLAGGWLWLRSRY-DJQAVYROSA-N 301.389 4.350 0 40 DIAB CC12CC3(C)CC(C)(C1)CC([C@@H](NC(C)(C)C)C(=O)O)(C2)C3 5412130 BPSWQUUOJZGDMK-XQXASTNHSA-N 307.478 4.214 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1 6344078 PYBPLNSZKSFPJN-UHFFFAOYSA-N 323.342 4.484 0 40 DIAB Cc1ccc(-c2nc(CSc3nccn3C)cs2)cc1 6370024 YMDUPUFPVVRPFS-UHFFFAOYSA-N 301.440 4.144 0 40 DIAB Cc1cc(Br)cc(C)c1OC(=O)/C=C/c1ccco1 6922103 XLGYBXGQQPMGRT-AATRIKPKSA-N 321.170 4.278 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C)c2)cc1 7294651 KVHPDETZBCKZEO-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2nc(C)cs2)c1C 9910810 JHBBTBVFQCXOIL-UHFFFAOYSA-N 311.410 4.123 0 40 DIAB CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 13039471 YKEGWQHRLCODRJ-UHFFFAOYSA-N 323.223 4.064 0 40 DIAB CCOc1ccc2oc(C(=O)N3CCC[C@@H](C)C3)c(C)c2c1 14166402 ILBHGCVEHWVHSO-GFCCVEGCSA-N 301.386 4.012 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1Cl 14246138 VYFBNKPFPPRDAH-LBPRGKRZSA-N 303.789 4.148 0 40 DIAB CSc1ccc(CN2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc1 19842564 ZWAUGLACBVVYJK-FUHWJXTLSA-N 318.530 4.105 0 40 DIAB CCCC(=O)Nc1n[nH]c(-c2ccccc2-c2ccc(F)cc2)n1 27914214 CWBMUSDWYYOUSX-UHFFFAOYSA-N 324.359 4.016 0 40 DIAB C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 28907885 HTFSHNXJTVXDLV-VIFPVBQESA-N 310.731 4.057 0 40 DIAB Cc1nc(-c2ccc(NC(=O)/C=C/c3ccncc3)cc2)cs1 29213432 PKMNOLQAYFVOPJ-FARCUNLSSA-N 321.405 4.165 0 40 DIAB C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 32037803 AXYSDGLHTLZLQI-QUBYGPBYSA-N 312.649 4.163 0 40 DIAB CC[C@@H](C(=O)Nc1cc(-c2ccccc2)n[nH]1)c1ccccc1 32611726 UXKWSFYENXMLBF-MRXNPFEDSA-N 305.381 4.209 0 40 DIAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 36397691 VJPSAHSZHDKNIL-UHFFFAOYSA-N 320.348 4.105 0 40 DIAB Cc1nc(CSc2ccc(-c3cccs3)nn2)cs1 36652425 CTHFGCZGHYWPGE-UHFFFAOYSA-N 305.453 4.262 0 40 DIAB O=C(Nc1ccc2ccccc2n1)c1cc(Cl)ccc1F 40017210 YORIBKBZCOTXJJ-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1cccs1 40090235 NEZAOGSNWWAIBP-LLVKDONJSA-N 309.818 4.048 0 40 DIAB O=C(C[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 43879414 LDUOFKAZKGAMHJ-WDEREUQCSA-N 314.303 4.169 0 40 DIAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2cccnc2)S1 72400771 RYWRDFRESRRNDX-MLPAPPSSSA-N 317.320 4.078 0 40 DIAB Brc1ccc(C2(NCc3ccccn3)CCC2)cc1 78979885 FWYBSYGGBLEEQX-UHFFFAOYSA-N 317.230 4.013 0 40 DIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1 79112285 PCVMAMYJBRNRIM-INIZCTEOSA-N 322.389 4.333 0 40 DIAB CSCc1cc(F)ccc1CN[C@H](C)c1cnn(C(C)C)c1 95969167 ZSPDOSDVQDBVIC-CYBMUJFWSA-N 321.465 4.317 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 96183950 FACWEGAGIFSMGG-LBPRGKRZSA-N 303.333 4.083 0 40 DIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108924832 CQYWEMBOCPBRBK-ASHKBJFXSA-N 311.347 4.260 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)c(F)c1 113971268 PPOJFACPVKTKAD-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922181 LXTPTDRJVRTFDL-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1cccc(OC)c1 224463066 MWTGSDHSPNIGCX-YJBOKZPZSA-N 321.461 4.185 0 40 DIAB COc1ccc(CC(=O)Nc2ccc3ccccc3c2)cc1C 224692844 KZTHJRDRTBJOKE-UHFFFAOYSA-N 305.377 4.338 0 40 DIAB Cc1cccc(Nc2cccc(C3CCN(CC4CC4)CC3)n2)n1 257307668 SZTGZQDCISWWJM-UHFFFAOYSA-N 322.456 4.118 0 40 DIAB CCCCS[C@@H](C)C(=O)Nc1ccccc1-c1ncco1 585125653 AHHKSAPUVIAFMA-LBPRGKRZSA-N 304.415 4.202 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N2CCc3ccccc32)ccc1Cl 36207 YTGVYIMPJLBUEH-ZDUSSCGKSA-N 315.800 4.005 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(C)c(Br)c2)cc1 46080 HSRYFOSAVQHWJI-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23 352762 WMFSFQHOPQOZTF-UHFFFAOYSA-N 316.360 4.072 0 40 DIAB Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 387164 NBNFLANLYZDHSI-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Clc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1 527601 ATVPHDNMQWTEPJ-UHFFFAOYSA-N 318.814 4.235 0 40 DIAB CC[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 533078 FUJSBTHLHHHCRT-INIZCTEOSA-N 318.424 4.461 0 40 DIAB O=C(O)CCCCCCC(=O)c1ccccc1Br 2378633 JXXGZGHLPJHEDB-UHFFFAOYSA-N 313.191 4.057 0 40 DIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1 3330598 KMUMVAMEZOPQEL-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB c1ccc2sc(Sc3ncnc4sccc34)nc2c1 3368905 KGRTYCJRCSVREJ-UHFFFAOYSA-N 301.421 4.452 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 3524106 PPYDDUBOXVARIU-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB COc1ccccc1NC(=O)CSc1ccc(C)cc1C 3605628 GDRMXIYACZTPML-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CCC[C@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 4652790 GCUZTKRRUTYKPX-YSCIFQABSA-N 309.453 4.486 0 40 DIAB COCCn1c(-c2ccccc2)cnc1NCc1cccc(C)c1 4679215 OTCGKSYYKOSSPD-UHFFFAOYSA-N 321.424 4.117 0 40 DIAB Cc1cc(SCC(=O)N[C@@H](C)C(C)C)nc2c(C)cccc12 5582133 CZKMQNOINMEGCT-AWEZNQCLSA-N 316.470 4.104 0 40 DIAB CCOP(=O)(OCC)[C@](C)(O)c1ccc2ccccc2c1 5953339 VZBSSTIETUNCFF-INIZCTEOSA-N 308.314 4.271 0 40 DIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 6343212 VRGYMPPLFIFSPG-LLVKDONJSA-N 324.207 4.250 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1C 6390939 KMUUSVZYMGNVIM-UHFFFAOYSA-N 314.439 4.117 0 40 DIAB O=C(O)c1cccc2ncc(-c3ccc4ccccc4c3)nc12 6744173 XUITUTUPHAUUMJ-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB CCOc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1OC 8324678 QXKJQLJYCWNSSQ-UHFFFAOYSA-N 315.457 4.008 0 40 DIAB CC(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1 8395606 JYIQQFCAOGQROK-HNNXBMFYSA-N 311.425 4.432 0 40 DIAB COc1cccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)c1 9711135 RBJLMCVPMOOWJX-CYBMUJFWSA-N 324.380 4.002 0 40 DIAB O=C(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 13302879 JHCXRDSIICHXDC-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1 14136138 QZDDRXWCTNPSQK-UHFFFAOYSA-N 310.397 4.096 0 40 DIAB Cc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)cs2)cc1 15832459 FIQWYHHDUBBHMW-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB CSc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1 17972200 GWTXHKIGXJLMIG-UHFFFAOYSA-N 322.433 4.229 0 40 DIAB Cc1ccc(N)cc1NC(=O)c1ccc(OCCC(C)C)cc1 19736118 IINZTFOLQZSTGI-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB COc1ccccc1[C@@H]1SCC(=O)N1c1cc(C)cc(C)c1 19927236 GTGKGDPHZCPHOM-SFHVURJKSA-N 313.422 4.091 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1ccc(F)cc1Cl 20004885 ZIFZBOKTNOBLIS-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB CC(C)c1ccc(N[C@H](c2cccc(F)c2)P(=O)(O)O)cc1 24769747 DXCNJARZTPCTIW-INIZCTEOSA-N 323.304 4.238 0 40 DIAB O=C(c1cc(F)ccc1F)N1CCC(Cc2ccccc2)CC1 28210767 JEVVSAGDKXFVMW-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc3ncccc23)c1C 31689247 DJNSYJCDUAOMOM-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB Cc1nnc(CN(Cc2ccc(Cl)c(Cl)c2)C(C)C)o1 52189705 HWSSEHVQXSVLGN-UHFFFAOYSA-N 314.216 4.095 0 40 DIAB Cc1noc(C)c1CCC(=O)N(Cc1ccco1)c1ccccc1 57659481 NNPNOGZOWOOYAF-UHFFFAOYSA-N 324.380 4.050 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)N(Cc2cccnc2)C2CC2)c1 69570044 SEWAUTSKEMGRBB-MRXNPFEDSA-N 323.440 4.134 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2C1=Cc2ccccc2OC1 71283383 JHGBZJIBWGCITE-CQSZACIVSA-N 309.369 4.015 0 40 DIAB N#CN(Cc1ccc(Cl)cc1)c1nccc(-c2ccccc2)n1 72467795 BCKCPBZJNVUDIA-UHFFFAOYSA-N 320.783 4.285 0 40 DIAB Cc1nc2ccc(NC(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)cc2o1 84290324 VKCXLRZTNNIHHQ-NHYWBVRUSA-N 324.380 4.424 0 40 DIAB CC(=O)c1c(-c2ccccc2)c2ccc(Cl)cc2n(C)c1=O 85344945 NGUKUYNAGVMDIB-UHFFFAOYSA-N 311.768 4.062 0 40 DIAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1csc(C2CC2)n1 96477486 SALIYRKNOREADY-INIZCTEOSA-N 314.454 4.332 0 40 DIAB Cc1cccc(NC(=O)c2ccc(-c3cccs3)nc2C)n1 121750614 WEGJVMFDGDJAQC-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1ccccc1 225081860 IATHXEUJMYGJDW-ZDUSSCGKSA-N 311.164 4.068 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O 408605981 ZUXJQXFKMFSVFM-XNTDXEJSSA-N 319.426 4.168 0 40 DIAB COC1(COc2cccc(Cl)c2)CCN(C2CCCC2)CC1 585281504 KLMUUEXGEOVSEH-UHFFFAOYSA-N 323.864 4.142 0 40 DIAB Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)ccc1F 1529942466 OJKDUWZXRAJHGG-UHFFFAOYSA-N 313.372 4.068 0 40 DIAB COc1ccc(-c2noc(-c3ccc(C)c(C)c3)n2)cc1OC 199809 LJACVCCVFRQQDP-UHFFFAOYSA-N 310.353 4.038 0 40 DIAB Nc1cccc2c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc12 492742 LXFWPKWRSTYWCW-IAGOWNOFSA-N 302.377 4.164 0 40 DIAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)C(C)(C)C)sc2n1 534518 UVEGYYKFTPVGMO-UHFFFAOYSA-N 316.348 4.435 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 568301 JYBBUZOIQDQARS-NTCAYCPXSA-N 308.425 4.180 0 40 DIAB CC(C(=O)Nc1ccncc1)(c1ccccc1)c1ccccc1 572868 XWMDBRUUIWFEMW-UHFFFAOYSA-N 302.377 4.026 0 40 DIAB O=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1O 612911 XELJZBKGWKBZBK-UHFFFAOYSA-N 318.379 4.019 0 40 DIAB O=C1C[C@H](c2ccc(Cl)cc2)S[C@@H]2Nc3ccccc3N12 1470121 ODADNGYTFVFHAX-GDBMZVCRSA-N 316.813 4.260 0 40 DIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccn2)N3)C1 4108151 SSJSLAWCQXIKDK-ZUZCIYMTSA-N 313.426 4.087 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4185573 KUJBNEHZPLWFTD-MSOLQXFVSA-N 319.832 4.372 0 40 DIAB CC(C)Sc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5243332 HOLCYBRESWUKSV-UHFFFAOYSA-N 314.454 4.495 0 40 DIAB CCOc1ccccc1NC(=O)Nc1cn(C)c2ccccc12 5265802 BZBWITUBXQPFGQ-UHFFFAOYSA-N 309.369 4.221 0 40 DIAB Cc1ccc(Nc2nc(CSc3nccn3C)cs2)cc1 6360576 UUKSUWUNJLSHJH-UHFFFAOYSA-N 316.455 4.221 0 40 DIAB CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1 8162771 FXADXFBQXHFGLM-SFHVURJKSA-N 306.409 4.286 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc2ncsc2c1 10221435 JOQNFMGSQYETOC-UHFFFAOYSA-N 322.433 4.148 0 40 DIAB c1ccc2c(Nc3ccc(Cc4ccncc4)cc3)ncnc2c1 11906940 HFSZRKAZKIZPLD-UHFFFAOYSA-N 312.376 4.359 0 40 DIAB Cc1ccc(Nc2ccccc2C(=O)NCc2ccccn2)cc1 12543158 JAOADKIKFUZJST-UHFFFAOYSA-N 317.392 4.064 0 40 DIAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccc(F)cc1)C(=O)O3 13227566 OVDIRIQORZAVKY-UHFFFAOYSA-N 322.339 4.197 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1cc(F)ccc1C 13840405 HMJBCLIIBHHROS-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cccc2cccnc12 14108238 CJKBBUPPFNOAGX-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB Nc1cc(Br)ccc1Oc1ccc(F)cc1F 14631049 PVVVFOBRPYJBNM-UHFFFAOYSA-N 300.102 4.102 0 40 DIAB Cc1csc(NC(=O)c2cc(C(C)C)nc3ccccc23)n1 17338477 WWNSDVGLXFGQKP-UHFFFAOYSA-N 311.410 4.375 0 40 DIAB Cc1ccc(CSCCNC(=O)c2ccccc2Cl)cc1 18202090 PCQLUWOYTCXJGN-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccn12 19240670 UYHZAKAZKBCEGR-KRWDZBQOSA-N 323.415 4.161 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20461741 DGEHQROFQXJWCZ-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB CCc1oc2ccccc2c1CNCc1ccc2c(c1)OCO2 20936544 JCKSPZGOLRINTR-UHFFFAOYSA-N 309.365 4.014 0 40 DIAB O=C(/C=C/c1cccs1)N1CCCSc2ccccc21 23199903 WPLRJTPUAYRVKU-CMDGGOBGSA-N 301.436 4.290 0 40 DIAB Cc1ccc(CCC(=O)Nc2cccc3cccnc23)c(C)c1 24964604 DVAMHQHQSJLGMJ-UHFFFAOYSA-N 304.393 4.423 0 40 DIAB CC[C@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 29280076 DUGYSSUKMGOBSX-KRWDZBQOSA-N 305.381 4.209 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)NCc1ccccc1Cl 32924057 HLBJGFZDAHGSBW-UHFFFAOYSA-N 308.834 4.158 0 40 DIAB CC(C)CO[C@@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 42474081 UTCSDVGZXRMTMK-WMLDXEAASA-N 317.454 4.015 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 44608854 WRWBCPJQPDHXTJ-IHSTXPOGSA-N 304.474 4.061 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C)c1 44901972 DKEBQASCDCFKRC-IBGZPJMESA-N 311.425 4.086 0 40 DIAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 55704069 COTNCCMYWPQUHZ-CYBMUJFWSA-N 301.411 4.205 0 40 DIAB COc1ccc([C@H](C)N(C)CCO[C@H]2CCCC[C@@H]2C)cc1 58932663 QTNWFIKCEJOOLS-BXWFABGCSA-N 305.462 4.283 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 59351213 WGFGMGGLNSYYQX-DLBZAZTESA-N 311.425 4.257 0 40 DIAB CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1oc2c(c1C)C(=O)CCC2 81180432 DKQXCMQWQJLDNT-GXTWGEPZSA-N 317.429 4.148 0 40 DIAB Cc1ccc2[nH]c(C3CN(Cc4cccc(Cl)c4)C3)nc2c1 85467291 CADOGPIBEIFZME-UHFFFAOYSA-N 311.816 4.124 0 40 DIAB Cc1cccc2c1C1(CC2)CCN(C(=O)OC(C)(C)C)CC1 91303132 GOEKBNCZYFOMMX-UHFFFAOYSA-N 301.430 4.210 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 100834891 KQHKTVIACXVCOT-KRWDZBQOSA-N 322.799 4.296 0 40 DIAB C[C@]12C[C@@H](c3ccccc3O1)N1Cc3ccccc3CSC1=N2 104317648 GOPKBGORRFGSNU-QFBILLFUSA-N 322.433 4.345 0 40 DIAB O=C(/C=C/c1ccco1)N1CCS[C@H](c2cccs2)CC1 219462330 WJIFGNUQASNNSK-NFAHFFEMSA-N 319.451 4.061 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N1CCCCCC1 225345661 MZVXYMGVJRTKOI-UHFFFAOYSA-N 300.229 4.329 0 40 DIAB CC(C)c1c(C2CC2)[nH]c2ccc(Br)cc2c1=O 685938817 ZOVGWLIMQITGMW-UHFFFAOYSA-N 306.203 4.291 0 40 DIAB CCC(CC)NC(=O)c1c(-c2ccccc2Cl)noc1C 116227 NZYIHAPUCZYBBQ-UHFFFAOYSA-N 306.793 4.222 0 40 DIAB Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 121805 RMGLBBFYMPDEQA-UHFFFAOYSA-N 321.258 4.251 0 40 DIAB CCOc1ccccc1NC(=O)Cc1c(F)cccc1Cl 367295 YFUGSMZGOMMVTK-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CC(C)=CCc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21 895662 OFWYIUYVHYPQNX-JXFKEZNVSA-N 324.376 4.216 0 40 DIAB endogenous,in-man c1ccc(COc2ccc(C[C@H]3CC4CCN3CC4)cc2)cc1 977959 SQMCJQNDEWEACK-FQEVSTJZSA-N 307.437 4.292 0 40 DIAB Cc1ccc(N[C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 1026094 MTODMOMVFBGAMJ-NRFANRHFSA-N 315.372 4.479 0 40 DIAB Fc1ccc(-c2cn3nc(-c4cccs4)sc3n2)cc1 1036572 QHQBEQIUIVWMBI-UHFFFAOYSA-N 301.371 4.325 0 40 DIAB CC(=O)Nc1ccc(Oc2nc3ccccc3n3cccc23)cc1 1382870 BWUAYZBYYVAOCG-UHFFFAOYSA-N 317.348 4.238 0 40 DIAB CCN(C(=S)NCc1ccco1)c1cccc2ccccc12 2622190 JFZURFVCQQFULY-UHFFFAOYSA-N 310.422 4.334 0 40 DIAB CC(=O)c1ccc(OC(=O)Cc2ccc(Cl)cc2Cl)cc1 3317106 GVSMLKFNEMNDOU-UHFFFAOYSA-N 323.175 4.344 0 40 DIAB CC(=O)c1ccccc1NC(=S)Nc1ccc(F)c(Cl)c1 3330333 JHCCUWUYNBFUNR-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCCC2)c1 3342423 KHGKWBAKIPQODI-IBGZPJMESA-N 308.425 4.079 0 40 DIAB O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)CCC2 3523437 GRNFWBJXOOSLJG-UHFFFAOYSA-N 324.405 4.047 0 40 DIAB O=C(/C=C/c1cccc(Br)c1)NCC1CCCCC1 3560009 KWQSNWNWCQKYNG-MDZDMXLPSA-N 322.246 4.159 0 40 DIAB CSc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 3608597 AQLAEGUUWHTBSV-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB CCc1cccc2sc(NC(=O)c3cccc(OC)c3)nc12 4348338 PUZCXEKTXKKPJA-UHFFFAOYSA-N 312.394 4.120 0 40 DIAB Cc1ccccc1COC(=O)/C=C/c1ccc2ccccc2n1 5689437 PLPXDUIONLJVTK-OUKQBFOZSA-N 303.361 4.300 0 40 DIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 6152200 QITYHCWDSRCKJG-LLVKDONJSA-N 301.411 4.134 0 40 DIAB Cn1c(-c2ccccc2)cnc1NCc1c[nH]c2ccccc12 6609200 CSOOTAVEKCNYNO-UHFFFAOYSA-N 302.381 4.181 0 40 DIAB CCN(C1CCCCC1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 8048491 XHQXMECZRMNBBT-UHFFFAOYSA-N 323.502 4.264 0 40 DIAB Fc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1 11279061 JANNDBYXZJSEHK-UHFFFAOYSA-N 302.378 4.040 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1ccc2ccccc2c1 11749991 QMKOUYYLQXUHPQ-UHFFFAOYSA-N 301.389 4.301 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](C)Oc1ccccc1 12533136 VFEYKYQTLWIFHW-INIZCTEOSA-N 324.424 4.001 0 40 DIAB O=C(CCCOc1ccc(F)cc1)Nc1cccc2ncccc12 12553581 ZUHDPGLQNHBLHJ-UHFFFAOYSA-N 324.355 4.172 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 12983166 DTLAOWGXMWZBTP-GFCCVEGCSA-N 303.789 4.472 0 40 DIAB O=C(Nc1ccccc1F)N[C@H]1CCSc2ccccc21 12993987 XSICFTBODXHAKR-ZDUSSCGKSA-N 302.374 4.184 0 40 DIAB CC1(C)C[C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 13669484 VAVAMNCHRZBNRB-OAHLLOKOSA-N 315.800 4.372 0 40 DIAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 14292012 GSFWFMVFROLHBU-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB O=C(Nc1ccccc1)c1ccc(COCC(F)(F)F)cc1 14901782 BITLJQOKXUCQHU-UHFFFAOYSA-N 309.287 4.018 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1 15317540 PEIHNQRZVVOOEE-LBPRGKRZSA-N 321.323 4.002 0 40 DIAB S=C(NCCSc1ccccc1)Nc1ccccc1Cl 18165601 DKSLEPDVYQZZSS-UHFFFAOYSA-N 322.886 4.419 0 40 DIAB CN1C(=S)S[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 19632797 VWLWUCKZXTYFGA-HZPDHXFCSA-N 314.479 4.279 0 40 DIAB in-vitro Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 19773705 FDHOCBARLJCOBZ-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1O 20045864 QEAMCYJNRRBISH-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)CCC(C)C 20136774 IWZMCFYEPJFGRT-UHFFFAOYSA-N 301.386 4.122 0 40 DIAB Cc1cc(N)ccc1NC(=O)C(c1ccccc1)c1ccccc1 20343504 ZADVTYADTGENKW-UHFFFAOYSA-N 316.404 4.348 0 40 DIAB C[C@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 22076474 PZQNNDCAUSTISI-YWZLYKJASA-N 307.393 4.158 0 40 DIAB CCOc1ccc2oc(C(=O)Nc3cc(C)ccn3)c(C)c2c1 24772902 DZMGAPHNBJHSMI-UHFFFAOYSA-N 310.353 4.096 0 40 DIAB O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccc2[nH]ccc2c1 32104739 VOFPJGVRPTYEQE-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1ccc(SC)cc1 32668034 LTWKIGHJWDDRCY-UHFFFAOYSA-N 302.395 4.199 0 40 DIAB Cc1ccc(-c2nnc(CSc3nc(C)cs3)o2)cc1 32810070 ZCTPVLQBPDJQIP-UHFFFAOYSA-N 303.412 4.102 0 40 DIAB Cc1ccc(Oc2ccccc2NC(=O)c2cccn2C)cc1 32996165 VXWGDXUTVFUNMV-UHFFFAOYSA-N 306.365 4.378 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 36386141 IVKFSFTWALNPEC-ILXRZTDVSA-N 324.468 4.411 0 40 DIAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Cl)c(Cl)c1 43212686 YMDGTRGDYWXHRO-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB CCN(CC)c1ccc2c(C)c([C@@H]3CCCCO3)c(=O)oc2c1 50073002 IMCCPIDMKLLIRP-INIZCTEOSA-N 315.413 4.189 0 40 DIAB C=CC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OC 67207129 WQZSOUBVRPECTJ-UHFFFAOYSA-N 310.378 4.096 0 40 DIAB Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1O 75093995 QSJSPWSYQXBWRY-UHFFFAOYSA-N 309.337 4.268 0 40 DIAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3)ns2)c1 78995585 XIJSLPPHBCEVHB-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB C[C@@H](NC(=O)CCc1ccco1)c1ccc(-c2cccnc2)cc1 81001193 BQQJAXIUHMYXPN-OAHLLOKOSA-N 320.392 4.152 0 40 DIAB O=[S@](Cc1ncc(-c2ccccc2)s1)CC1CCCC1 95462871 TXBAIUITWVCIIB-HXUWFJFHSA-N 305.468 4.249 0 40 DIAB Cc1cc(NCCCN)c2cc(Oc3ccccc3)ccc2n1 222690898 SZOXTVAKXNUUCT-UHFFFAOYSA-N 307.397 4.096 0 40 DIAB CCc1cccc(C)c1NC(=O)CCc1ccc(OC)c(C)c1 224948530 DIZZTVVVTFPXDS-UHFFFAOYSA-N 311.425 4.446 0 40 DIAB Cc1cccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)c1 225093156 PWGVRXFQBSSATQ-HNNXBMFYSA-N 324.298 4.089 0 40 DIAB Cc1ccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225093251 AAUVKRXIQSGGTA-HNNXBMFYSA-N 324.298 4.089 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(C)c1 225236745 NIRVCSYNHUTSSA-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB CC(C)CC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352305 XDPWXUAMYVGGCB-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB Fc1ccc(OCc2cccc(Br)c2)c(F)c1F 575357084 WWMNNRBTYIMUGG-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775975452 HGYRCCZXPRKCJT-IRXDYDNUSA-N 311.425 4.189 0 40 DIAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@H](c1ccccc1)C2 107173 MRZOETDLMHTGJW-OAHLLOKOSA-N 320.367 4.233 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 579708 UQLZJDMJZGZNTM-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCCCN1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C 2274467 BHAOHUCBBLUQGU-QGZVFWFLSA-N 324.852 4.259 0 40 DIAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C1CC1 2972320 HVGJAPQYFLIFEO-UHFFFAOYSA-N 309.394 4.015 0 40 DIAB CSc1ccccc1NCC(=O)Nc1ccc(C)cc1Cl 3357630 QWZFUDHIAALBPO-UHFFFAOYSA-N 320.845 4.421 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 6372752 IMVYZBHCXAYNTB-UHFFFAOYSA-N 315.678 4.491 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 6543522 BQAXGTDELMTZIA-CYBMUJFWSA-N 310.397 4.411 0 40 DIAB O=C(O)c1cccc2nc(-c3cccc4ccccc34)cnc12 6744167 QYXUILKEDCALRC-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 6925925 VPZXJXSCXIOZAU-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 7547731 PBOFOVSXMOCXMD-IBGZPJMESA-N 324.424 4.176 0 40 DIAB C[C@@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccccc1 7909486 FNLACVGNPRSRJK-GFCCVEGCSA-N 321.392 4.324 0 40 DIAB O=C(NCCc1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 8077671 OVDMZROQYSXPAH-UHFFFAOYSA-N 317.747 4.198 0 40 DIAB CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@@H]1CCCCCCCC(=O)O 8602745 LAIUZQCFIABNDP-YLFCFFPRSA-N 312.450 4.307 0 40 DIAB biogenic,in-vitro COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 8914204 CCHCANIWOUJMBW-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB CCC(C)(C)C1CCC(Nc2cc(=O)n3ccccc3n2)CC1 10995020 ZOSDUQCFFMQGCW-UHFFFAOYSA-N 313.445 4.101 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(F)cc(F)c1 11767007 KCEQKWNDHGYMLV-UHFFFAOYSA-N 316.351 4.126 0 40 DIAB CCc1ccccc1NCc1cc2cc(C)c(C)cc2[nH]c1=O 12493374 BPAPQYUBNOFUDH-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB COc1ccc(CN(Cc2ccncc2)Cc2ccsc2)cc1 13570236 ASPAROHCEDPIEW-UHFFFAOYSA-N 324.449 4.354 0 40 DIAB COCCCNCc1ccc(OCc2ccccc2Cl)cc1 13722201 MRBBWRLRURNYBP-UHFFFAOYSA-N 319.832 4.045 0 40 DIAB CCOc1ccc2c(c1)sc(=S)n2CN1CCCCC1 19597089 NJNCBYKVSAVSIA-UHFFFAOYSA-N 308.472 4.274 0 40 DIAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2)CC3=O)cc1 20632977 UAGBZHVGCDMDFW-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 26490828 YXCVRDLHNKHRGA-IDJPSDCMSA-N 309.409 4.284 0 40 DIAB CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H]1CCc2ccccc21 27818215 JLNROCBHQQRRAW-INMULRNOSA-N 311.812 4.499 0 40 DIAB Cc1csc(NC(=O)c2cc(-n3cccc3)ccc2Cl)n1 31813090 GCKXCIGSSCIZTJ-UHFFFAOYSA-N 317.801 4.148 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1 40423842 TZTPJJNNACUQQR-HXUWFJFHSA-N 318.372 4.428 0 40 DIAB CCOc1cccc(CNC(=S)Nc2ccc(CC)cc2)c1 44155631 ARYLZJZTMRLBDV-UHFFFAOYSA-N 314.454 4.134 0 40 DIAB Cc1cc(CNc2ncnc3scc(-c4ccccc4)c23)on1 48356370 GYQQENYMKKXMRL-UHFFFAOYSA-N 322.393 4.267 0 40 DIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(O)c(Cl)c1 49371830 URRAHUGKTXPMMX-WZUFQYTHSA-N 306.148 4.192 0 40 DIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 58218134 STEADCDEEZWMPR-HKUYNNGSSA-N 324.424 4.016 0 40 DIAB Cc1ccc(-c2nc(CC(=O)OC[C@@H]3CC=CCC3)cs2)o1 71878256 BXVMKOVAZKUQFE-CYBMUJFWSA-N 317.410 4.154 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Cl)nc1 72211447 RIWIVHNNKOBVHS-HNNXBMFYSA-N 316.788 4.209 0 40 DIAB CC(C)Oc1ccccc1C[S@](=O)Cc1ccc(F)cc1 78556231 VMYLDQBKCICNTO-NRFANRHFSA-N 306.402 4.062 0 40 DIAB CSc1sc(C(=O)O)c(OCc2ccccc2)c1Cl 96511001 ZXGKTHKBGXQHNT-UHFFFAOYSA-N 314.815 4.401 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H](c1ccccc1)c1ccncc1 106900494 SQOFHEXURVHRHX-QTWZMDIBSA-N 320.436 4.114 0 40 DIAB COc1c(Cl)cc(-c2nc3cc(CO)ccc3o2)cc1Cl 216797815 LUFHYPRCTKZQNS-UHFFFAOYSA-N 324.163 4.303 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)CCSc1ccccc1 225000740 FQTQLLKQRJUOQS-UHFFFAOYSA-N 313.466 4.306 0 40 DIAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCCC(C)C)cc3)nc2c1 225263850 HSTITGQNDONFCT-UHFFFAOYSA-N 321.424 4.314 0 40 DIAB CC(C)c1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1 225467602 YPGDKVVMNGFUFJ-UHFFFAOYSA-N 323.440 4.372 0 40 DIAB Fc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225855329 JGGAQIZZRVXNDZ-UHFFFAOYSA-N 304.390 4.175 0 40 DIAB Cc1c(-c2nc(C3CCOCC3)no2)[nH]c2c(Cl)cccc12 333935592 JPWRXZGMQPCELA-UHFFFAOYSA-N 317.776 4.074 0 40 DIAB CC(=O)Nc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 436912 YFDRJXVZUYBZNH-UHFFFAOYSA-N 321.424 4.341 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1 610334 MBMKBRNMHIXHRN-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB Cc1ccc(OCCCC(=O)NC2CCCCCC2)c(C)c1 1913853 HJJKTZSQRFPRGL-UHFFFAOYSA-N 303.446 4.301 0 40 DIAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C(F)(F)F 3141654 JDHZAJVOSAEJHZ-UHFFFAOYSA-N 322.311 4.464 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 3292129 RMLAPKABQBWBDA-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB Cc1ccc(SCC(=O)Nc2cccnc2Cl)cc1C 3456687 UTNLXGFJRRZOAP-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl 3572872 YPNKCPHIOSJVAY-GXFFZTMASA-N 316.228 4.067 0 40 DIAB CCCCC(=O)Nc1nnc(-c2c(C)cc(C)cc2C)s1 4070325 IQCNKLXHWJMCKU-UHFFFAOYSA-N 303.431 4.259 0 40 DIAB O=c1oc2ccccc2n1CCCOc1cccc2ccccc12 4569002 YPFUQWWBQAWBKX-UHFFFAOYSA-N 319.360 4.217 0 40 DIAB CC(C)c1ccccc1Oc1nc2ccccc2n2cnnc12 5425675 RXIQWIJYPGLZIX-UHFFFAOYSA-N 304.353 4.193 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(F)ccc2F)c1 6376708 LTHPOEYGLMNYQW-UHFFFAOYSA-N 319.351 4.414 0 40 DIAB O=C(CCCc1cccs1)Nc1ccnn1C1CCCCC1 6579283 PVPKDCQQVBJUMK-UHFFFAOYSA-N 317.458 4.411 0 40 DIAB CN(Cc1cccs1)c1ncnc2sc3c(c12)CCCC3 6602744 SVXVZVWLNKEWFL-UHFFFAOYSA-N 315.467 4.268 0 40 DIAB CCCCNCc1ccc(OCc2ccccc2F)c(OC)c1 7261684 SIDUUPLRKPGVBN-UHFFFAOYSA-N 317.404 4.303 0 40 DIAB CC1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 7699013 LJGYALJISPVGCK-UHFFFAOYSA-N 300.229 4.231 0 40 DIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1ccccc1F 8037571 NBRPHKSQFRXSHZ-UHFFFAOYSA-N 320.339 4.027 0 40 DIAB CCOc1cc(CNCC(C)C)ccc1OCc1cccs1 8254737 LYWVAPQWAWXJMI-UHFFFAOYSA-N 319.470 4.471 0 40 DIAB CN1C(=O)Cc2cc(-c3csc(-c4cccs4)n3)ccc21 8297168 WVSKKOTZORJDMZ-UHFFFAOYSA-N 312.419 4.058 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2C)c1C 13141293 GTZHJOJEBGWISL-UHFFFAOYSA-N 304.777 4.048 0 40 DIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1cccs1 15837704 MPHMOGHAOWIJSN-CYBMUJFWSA-N 308.353 4.395 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)OCc1cccc(F)c1F 16218107 XVJJFSNXUXQUHF-UHFFFAOYSA-N 315.319 4.122 0 40 DIAB COc1ccc2c(c1)CC1=C2CC[C@@]2(C)C1=CCC[C@@H]2OC(C)=O 16321663 JGFILNAUHJYOTK-SFTDATJTSA-N 324.420 4.457 0 40 DIAB CC(C)C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 16806588 XTUGORDVRSUOIL-UHFFFAOYSA-N 313.788 4.249 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 22460126 QBINNWFBUZKSPX-SNVBAGLBSA-N 309.196 4.188 0 40 DIAB CNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1 23386425 NGDRGAMFYHUGHL-UHFFFAOYSA-N 309.394 4.104 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@H](c2cccnc2)C1 36359719 OVSARKRYOJHGHV-LBPRGKRZSA-N 324.771 4.044 0 40 DIAB CC[C@H]1c2ccsc2CCN1Cc1c(C)nc2sccn12 36741531 ZFYVTCIHGFIESM-ZDUSSCGKSA-N 317.483 4.275 0 40 DIAB CC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc(F)c2)o1 40153836 VCDLJMQSUVYEKA-HNNXBMFYSA-N 302.393 4.448 0 40 DIAB Cc1ccccc1CN(C)[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 57676261 LFAPEZVNSKLWRI-MRXNPFEDSA-N 320.436 4.488 0 40 DIAB Cc1cc(NC(=O)N[C@H](c2cccs2)C2CCCC2)on1 58246539 LWRKFKRJJMTWKP-AWEZNQCLSA-N 305.403 4.098 0 40 DIAB COc1cc2c(C(C)=O)c(C)n(-c3ccccc3)c2cc1C(C)=O 68755341 JTHVOPSPEPGCBU-UHFFFAOYSA-N 321.376 4.353 0 40 DIAB COC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)cc1 71701388 KFXNBYUZIZKRDM-UHFFFAOYSA-N 309.287 4.104 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)c1ccc(F)cc1Cl 72331678 WXICBLNGYSAAOI-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Cl 76273738 UXODHYHHHLVUOE-UHFFFAOYSA-N 305.761 4.049 0 40 DIAB Nc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 89262366 LEUUCQWAFZQPKB-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB CCCOc1ccc(CNc2ccc(OC)cc2)cc1OCC 106994797 JPOUZPFJYJRZTO-UHFFFAOYSA-N 315.413 4.495 0 40 DIAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCC1 216572443 KDWFOSWMSIVRDU-UHFFFAOYSA-N 315.800 4.155 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(Cl)cc1F 223419027 DRVUTXKRGAZVAE-LBPRGKRZSA-N 305.780 4.207 0 40 DIAB CCCCN1c2cc(OC)c(C(=O)O)cc2C(C)=CC1(C)C 223795104 DDJPROROTZMCFJ-UHFFFAOYSA-N 303.402 4.195 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225617449 NXZKJAKWNRZTNG-KBXCAEBGSA-N 307.434 4.398 0 40 DIAB CCCCN(CCCC)C(=O)c1ccc2[nH]c(Cl)nc2c1 225978076 UZGYUDYIIGRNBQ-UHFFFAOYSA-N 307.825 4.259 0 40 DIAB OCc1cc(-c2ccccc2)nc2cccc(C(F)(F)F)c12 685937154 LYVKMHAKKWMCJH-UHFFFAOYSA-N 303.283 4.413 0 40 DIAB O=C(Oc1ccc(Cl)cc1)c1cc(Cl)cnc1Cl 166846 OEGDPJOIZLOJQO-UHFFFAOYSA-N 302.544 4.261 0 40 DIAB Cc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2nc1Cl 495032 FUGDVAVUBYCXFU-UHFFFAOYSA-N 320.783 4.420 0 40 DIAB CCc1ccc2nc(SCC(=O)N(CC)CC)c(C)cc2c1 932929 RMADGYZKIFOXCT-UHFFFAOYSA-N 316.470 4.066 0 40 DIAB CCc1onc(C)c1C(=O)Nc1ccc(SC(F)F)cc1 3437145 VVSHXZOPGXNMRC-UHFFFAOYSA-N 312.341 4.112 0 40 DIAB Cc1cc(C)cc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1 5034431 ZJIUTHKYFASKJE-BQYQJAHWSA-N 305.377 4.274 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccc(N(CC)CC)cc1 5321957 YPPXTIZMFUJNEQ-UHFFFAOYSA-N 312.413 4.184 0 40 DIAB CC(C)c1ccc(NC2=NC(=O)[C@H](Cc3ccccc3)S2)cc1 5807928 QQONAMSDPPMRRR-KRWDZBQOSA-N 324.449 4.463 0 40 DIAB O=C(Nc1nc(-c2ccccc2)cs1)C1(c2ccccc2)CC1 8727271 YPMKGCKHHHKQCZ-UHFFFAOYSA-N 320.417 4.480 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)N[C@H](c1ccccc1)C1CC1 9878385 UIOPHCNALRIZJM-RBUKOAKNSA-N 306.409 4.124 0 40 DIAB CCCCn1c(SC[C@H]2CCCCO2)nc2ccccc21 12528937 IXQWLTWFQWTPGQ-CQSZACIVSA-N 304.459 4.498 0 40 DIAB COc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 12537094 FNNGEMCRCSMOLZ-CYBMUJFWSA-N 309.369 4.227 0 40 DIAB C[C@@H]1Oc2c3c(c4ccc(=O)oc4c2C1(C)C)OC(C)(C)C=C3 13398315 AOIFNIMKVOPLGP-JTQLQIEISA-N 312.365 4.036 0 40 DIAB biogenic,in-vitro CCc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c1 16431351 SMWWJQKTEDFHLR-AWEZNQCLSA-N 314.404 4.020 0 40 DIAB COc1ccccc1CN(C)C(=O)c1cc2ccccc2s1 18076363 MIJIHEGOVCXWLU-UHFFFAOYSA-N 311.406 4.182 0 40 DIAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OC 19691022 QZKPIAGMBXEKTG-UHFFFAOYSA-N 319.832 4.080 0 40 DIAB CCC(=O)N1CCC[C@@H]1c1cc(-c2ccc(OC)cc2)cc(C)n1 19691377 ABHFTIUWVCLNEN-LJQANCHMSA-N 324.424 4.139 0 40 DIAB O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCCCCCC1 32765592 QDDLCQAKEMDEHU-UHFFFAOYSA-N 323.440 4.156 0 40 DIAB C[C@H]1CCCN(c2nc(N3CCCCCC3)c3ccccc3n2)C1 41149312 BXRPZAUNNCENNG-INIZCTEOSA-N 324.472 4.247 0 40 DIAB CCN(CC)Cc1ccc(CNC(=O)CCC2CCCC2)cc1 48299434 ADVCHIJMHIITSS-UHFFFAOYSA-N 316.489 4.115 0 40 DIAB c1ccc(-c2ncc(CN[C@@H](c3ccccc3)C3CC3)cn2)cc1 48685769 HIIKYTRWVQMZFI-FQEVSTJZSA-N 315.420 4.385 0 40 DIAB Fc1ccc(SCc2csc(-c3ncccn3)n2)cc1F 53594809 KGMVQOMTUYPACD-UHFFFAOYSA-N 321.377 4.171 0 40 DIAB C[C@H](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccncc1 58223468 RZHVEMTYAQWHET-YLJYHZDGSA-N 322.452 4.404 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72215081 LZCRGBAWRYWLEX-HIFRSBDPSA-N 319.449 4.046 0 40 DIAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCCN1C(C)C 72219241 NHHDBMBUGRQQRB-GOSISDBHSA-N 301.478 4.316 0 40 DIAB CC(C)N(C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C 78612623 WYEZFUOAOCMMOT-GJZGRUSLSA-N 313.363 4.454 0 40 DIAB CCc1ccc(CN[C@H](c2cccnc2)c2cccc(OC)c2)o1 95415469 YBXCISGOUCGDJD-FQEVSTJZSA-N 322.408 4.125 0 40 DIAB CC(C)n1cc([C@H](C)N[C@@H](c2ccccc2)c2ccccn2)cn1 95419300 LQSMNTHXMMGWTE-JXFKEZNVSA-N 320.440 4.299 0 40 DIAB CC[C@H](CSC)N(C)Cc1ccc(Cl)c2cccnc12 95459556 LEKVTNUQPZUNBU-CYBMUJFWSA-N 308.878 4.462 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102838466 XKSFFQZQYJKWPV-QXEWZRGKSA-N 306.818 4.324 0 40 DIAB O=C(NCC1=CCCCC1)c1cccc(OCc2ccccc2)c1 224269910 MUOYFBYFCOBLAL-UHFFFAOYSA-N 321.420 4.496 0 40 DIAB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)c1 225202609 ITOMUFPWVUUAHK-NSHDSACASA-N 305.834 4.091 0 40 DIAB CCCOc1c(Cl)cc(Br)c2cccnc12 225393502 SIUJIBOZRIIGLH-UHFFFAOYSA-N 300.583 4.440 0 40 DIAB CC(C)N1CCC[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257338834 YZCVBYWVPQGCKI-GOSISDBHSA-N 324.424 4.035 0 40 DIAB CCCCN1C(=O)S/C(=C\c2cc(C)n(C3CC3)c2C)C1=O 409123163 FNBQBPDZQCMWGK-GDNBJRDFSA-N 318.442 4.276 0 40 DIAB CC(C)c1cnc(NC(=O)c2ccccc2OC2CC2)s1 572910370 ATCRCMZOLIIZCG-UHFFFAOYSA-N 302.399 4.060 0 40 DIAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776001655 FFJXYUYSASCLQO-PMACEKPBSA-N 310.441 4.252 0 40 DIAB Cc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 580726 WWFCDRKFXDWDST-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB Cc1ccccc1[C@H]1c2c(C)cccc2C(=O)C[C@H]1CC(=O)O 1601998 MYVGZIGBDHZWOU-XOBRGWDASA-N 308.377 4.113 0 40 DIAB O[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 1754495 BVEXGQHOBZRFGZ-CCDCCJRHSA-N 307.437 4.478 0 40 DIAB CCOC(=O)CCCCCC(=O)c1cc(C)c(OC)c(C)c1 2378864 ZKRSPCNGQCSLBQ-UHFFFAOYSA-N 306.402 4.008 0 40 DIAB CCc1ccc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3347854 SACIGAWNHNXIHS-GFCCVEGCSA-N 302.805 4.342 0 40 DIAB O=C(NCc1cccs1)c1ccccc1Oc1ccccc1 3398701 SMIODFVCSMUVPA-UHFFFAOYSA-N 309.390 4.470 0 40 DIAB NC(=O)c1ccccc1OCc1ccccc1Oc1ccccc1 5427848 UFMOJWVIZGXVIC-UHFFFAOYSA-N 319.360 4.157 0 40 DIAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882856 YUHUPQOJSQYNQE-DFEHZGFQSA-N 308.381 4.307 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccn3)n2)cc1C 7756635 PIDSVFKSVJTOHJ-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCCc1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 8391978 FVZYFBYATYHFJH-UHFFFAOYSA-N 300.431 4.103 0 40 DIAB COc1ccc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cc1F 12919968 LWEDRRHRMAEWRA-WONIAPNHSA-N 313.372 4.067 0 40 DIAB Cc1cc(C)cc(CSCC(=O)N2CCc3ccccc32)c1 13632807 MXUYJQMEKZRLQI-UHFFFAOYSA-N 311.450 4.126 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1cccc(Cl)c1 13674550 AGMDIUVAMJUJDQ-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB Cc1cc(OCc2nnc(-c3ccccc3)o2)ccc1Cl 18269341 XUPBUJFXXXESJZ-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB Cc1nc([C@@H]2CCCN(CCc3ccccc3)C2)c2ccccn12 19240663 NIMOGNJKBGGHHD-LJQANCHMSA-N 319.452 4.065 0 40 DIAB Cn1ccc([C@@H]2CCCCCN2Cc2ccnc3ccccc23)n1 19291100 BKTMPMFMIUSJOI-FQEVSTJZSA-N 320.440 4.086 0 40 DIAB C[C@H](NC(=O)CCSc1ccccc1)c1ccc(F)cc1 20041003 FZXYQNOWCGHYFI-ZDUSSCGKSA-N 303.402 4.185 0 40 DIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 20046045 FPHYIWKUIHHKQQ-KBPBESRZSA-N 315.438 4.053 0 40 DIAB C[C@H](N[C@H](C)c1cccnc1)c1ccc(Br)cc1 20127545 JWRVWFSOKODUGN-NWDGAFQWSA-N 305.219 4.256 0 40 DIAB CCC(=O)c1ccc(Sc2ccccc2)c(CC(=O)O)c1 21999786 OIDXFJQJYOGXHS-UHFFFAOYSA-N 300.379 4.058 0 40 DIAB CSc1ccc(CSCC(=O)NC2CCC(C)CC2)cc1 24072996 VHUGUJZVEQKKBT-UHFFFAOYSA-N 323.527 4.337 0 40 DIAB c1ccc([C@H](CNc2nc3ccccc3o2)N2CCCC2)cc1 26081907 GEGSGTRFUFJXAA-KRWDZBQOSA-N 307.397 4.077 0 40 DIAB Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccco2)o1 27545073 AHTCDTKIVRBDSO-VAWYXSNFSA-N 321.376 4.423 0 40 DIAB Cc1ncsc1C(=O)N[C@H](c1cccs1)C1CCCC1 48279677 WXLPMYLWSNDQAW-ZDUSSCGKSA-N 306.456 4.174 0 40 DIAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)C(F)(F)F 57316772 RGZDETPQNWUROJ-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB COC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1 58306379 PCFJNSVTHTVUGE-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB CCCc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 102599748 GVZILAKFWWDAGS-RNIPGJKVSA-N 323.436 4.121 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 219848445 SQICCPKSIAHWIJ-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB CNCCCNc1ccnc2c(Sc3ccccc3)cccc12 222683571 DMJOMSUXXVKBEW-UHFFFAOYSA-N 323.465 4.407 0 40 DIAB C[C@H]1C[C@H](C)CN(c2c(Cl)cc(N)cc2Br)C1 226316455 HNLIFNHYGILPBE-IUCAKERBSA-N 317.658 4.167 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cc(OC)cc(OC)c1 483090 FRKIBWJBOCISBU-UHFFFAOYSA-N 313.397 4.081 0 40 DIAB O=C(Nc1ccc(F)cc1F)Oc1cccc2cccnc12 1764017 VULDVEMJMBHMSV-UHFFFAOYSA-N 300.264 4.124 0 40 DIAB c1ccc(COc2ccc3c(c2)c2c4n3CCN[C@@H]4CCC2)cc1 4030268 QVGYABWUBFHWOE-LJQANCHMSA-N 318.420 4.201 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1ccccc1SCCOC 4649117 LRXBXVKQTCXNFW-OAHLLOKOSA-N 323.502 4.371 0 40 DIAB Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4889205 IKZTWEDSPREIPW-LFIBNONCSA-N 309.390 4.232 0 40 DIAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)oc2C)cc1 5015551 QDYVYABTIQOCSD-UHFFFAOYSA-N 321.376 4.194 0 40 DIAB CC[C@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1 5656593 DSAWCNBXSKDHII-AWEZNQCLSA-N 313.397 4.232 0 40 DIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 6508752 BUMXSHBMVVXNRT-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 6876306 QJFOPNOLIOPAPA-NRXGSXMXSA-N 301.430 4.030 0 40 DIAB Cc1ccc(NC(=S)NCc2ccc(F)cc2)cc1Cl 7350815 JHXUPVKCAHFJQC-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB COc1ccc(C(C)=O)cc1CN1CC=C(c2ccccc2)CC1 7456875 QRRSVHBXBZVXFJ-UHFFFAOYSA-N 321.420 4.187 0 40 DIAB CC[C@H](C)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 7969382 YITIZNZCPDTEMD-HNAYVOBHSA-N 311.425 4.141 0 40 DIAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC 8041379 VDANWJOPFAPTEP-INIZCTEOSA-N 313.397 4.054 0 40 DIAB CCCCC1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1 8725510 LMALWMAYAJCVNQ-UHFFFAOYSA-N 313.445 4.176 0 40 DIAB CCCCCC(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732883 XVVJKEGNFXWKIM-CYBMUJFWSA-N 309.431 4.161 0 40 DIAB COc1c(C)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 9141699 MVGBSFBRSGAXJQ-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB CCCNC(=O)c1ccccc1NC(=O)CCC1CCCCC1 9698659 CAWMIBXTSUYIOS-UHFFFAOYSA-N 316.445 4.125 0 40 DIAB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(=O)[nH]2)cc1 12016164 OITBDGWYZYXDKJ-UHFFFAOYSA-N 322.433 4.346 0 40 DIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1 12618037 DHSRSCWICLXJRD-UHFFFAOYSA-N 310.328 4.052 0 40 DIAB CC[C@@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12920572 GPBRNUHWDZRBPM-RUKGUGCUSA-N 319.448 4.446 0 40 DIAB CN(Cc1ccsc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13011091 OARPHZDASFGBKV-UHFFFAOYSA-N 324.449 4.380 0 40 DIAB c1ccc(CCSCCCSCCc2ccccn2)nc1 13281555 QKNBKGZNHZSWTO-UHFFFAOYSA-N 318.511 4.118 0 40 DIAB CCCc1ccc2[nH]c(=O)c(CNc3ccc(OC)cc3)cc2c1 13561352 ZSHTVPIOULNXMK-UHFFFAOYSA-N 322.408 4.101 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(F)(F)F)cc1 14202161 HZMCZBUMBRUOEH-GFCCVEGCSA-N 323.314 4.385 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)cc1 20111356 HSJUNKJSVWDLSP-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)nc2ccccc12 23078806 NDYPMLHZFXPOSI-RISCZKNCSA-N 302.805 4.197 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 23602166 MKJFNAPWLBCBRD-UHFFFAOYSA-N 306.409 4.365 0 40 DIAB CCc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)o1 25084157 OHCVMKQGCSZNIE-UHFFFAOYSA-N 320.392 4.253 0 40 DIAB c1ccc(-c2nnc(CN3CCCSc4ccccc43)o2)cc1 32511255 GQXKPLMTKSPZRF-UHFFFAOYSA-N 323.421 4.239 0 40 DIAB CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)s1 33192633 LBXJZCDICMFHOD-SSDOTTSWSA-N 313.831 4.157 0 40 DIAB CCc1cc2c(NCc3cc(C)c(O)c(C)c3)ncnc2s1 36392457 WKUHONBQRKKJOE-UHFFFAOYSA-N 313.426 4.188 0 40 DIAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 40895911 LWTCEQHBTMPRBZ-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CCCCCC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 48342287 SVYYTXWWZQOMNC-KRWDZBQOSA-N 316.489 4.115 0 40 DIAB C[C@@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1ccncc1 58298847 KJVDLWZEVLUHPT-OAHLLOKOSA-N 319.408 4.137 0 40 DIAB Cc1nc2ccc(C(=O)N(C)C3CCCCCC3)cc2nc1C 58426037 VGTWMHBGKINTCR-UHFFFAOYSA-N 311.429 4.041 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cccc2)cc1 61718693 DPKZHERLEXFTMY-UHFFFAOYSA-N 315.376 4.140 0 40 DIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C 71837355 UERKSSQVRWAKMP-YQVWRLOYSA-N 308.425 4.099 0 40 DIAB COc1ccc(OC)c([C@@H]2CCCCN2Cc2ccccc2)c1 72221891 YSFKJVLQBPSICK-IBGZPJMESA-N 311.425 4.431 0 40 DIAB O=C(NCc1ccc(F)c(Cl)c1)c1c(F)cccc1Cl 72331817 CSFHWJVGZBCWDF-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1c(Br)cccc1-c1nc2ccc(N)cc2o1 88441357 MBUZFLZEFNGNNT-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2o1 90541942 DSIBYAMNVHUIGR-JCKWVBRZSA-N 317.454 4.138 0 40 DIAB CCNc1ccc(Cl)cc1C(=O)N1CCC(CC)(CC)C1 94810731 GVCDFWHXURCWQG-UHFFFAOYSA-N 308.853 4.424 0 40 DIAB O=C(CCc1ccncc1)Nc1ccc(COC2CCCC2)cc1 96417277 KCQOENPRVVYVAK-UHFFFAOYSA-N 324.424 4.112 0 40 DIAB CCC[C@H](N[C@H](C)c1ccc(CC)o1)c1nnc2ccccn12 96477174 VPMCJLLFMSMYMH-HIFRSBDPSA-N 312.417 4.077 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C2CC2)[C@H](C)c2ccccn2)C1(C)C 107338109 GBYASDUHXQUVPI-KYJSFNMBSA-N 312.457 4.372 0 40 DIAB Cc1cccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)c1C 216725101 HSTLJXKYPJVRMD-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB O=Cc1cn(C(=O)c2cc(Cl)ccc2Cl)c2ccccc12 216954483 HESCEHBXKMXZLT-UHFFFAOYSA-N 318.159 4.449 0 40 DIAB Fc1ccccc1-c1ccc2c(Br)nsc2n1 217730450 FFCZOOHRDXUJPM-UHFFFAOYSA-N 309.163 4.260 0 40 DIAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226254439 OJJFIKZFQDOQPA-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB Cc1cccc(NC(=O)/C=C/c2cnc(-c3ccccc3)nc2)c1 408529135 GEGRHHYVFZINCD-ZHACJKMWSA-N 315.376 4.104 0 40 DIAB Oc1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 411254 XGNBUWZTXLAVGF-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Cl)c1 997951 JDZGZZJXQBNIFK-LLVKDONJSA-N 303.764 4.461 0 40 DIAB CCN(CC)CCOC(=O)[C@@]1(C2CCCCC2)CC=CCC1 1719284 FXXLEWYHZLZWQG-IBGZPJMESA-N 307.478 4.178 0 40 DIAB COc1ccccc1NC(=O)CCCOc1cccc(C)c1C 1786383 LHZGVMBJVHFGRW-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(Cl)cc1 2517273 YROVSTFYHXSTDW-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB Cc1cccc(C)c1OCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 2813158 KDTTVSVXPPYMSY-OXQOHEQNSA-N 315.457 4.109 0 40 DIAB C[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2Cl)C1 3252364 UFVXQGLLDOVARI-SECBINFHSA-N 303.258 4.422 0 40 DIAB Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1 3499184 WPFUGLKOKWASBZ-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB CCO[P@]1(=O)OC(c2ccccc2)=NC1=C(Cl)Cl 4529937 FPJPZHKGQSYPHI-SFHVURJKSA-N 306.085 4.297 0 40 DIAB O=C(NC1CCCCC1)c1ccccc1COc1ccccc1 7609011 PIYUJDSSFCYOPO-UHFFFAOYSA-N 309.409 4.328 0 40 DIAB COc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CC1 7655470 MFUBBQBXLUTELL-UHFFFAOYSA-N 301.773 4.019 0 40 DIAB CCc1cccc(CC)c1NC(=O)CC1(C(=O)O)CCCCC1 8987297 ZGBSJHLRMNOAMS-UHFFFAOYSA-N 317.429 4.175 0 40 DIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2[nH]cnc2c1 12535724 WAYGVGFXXFIWET-LLVKDONJSA-N 313.788 4.050 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2)c(OC)c1 13786492 SAJLBLHFIODXIO-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB Cc1cc(C(=O)CCC(=O)N[C@H](C)c2cccs2)c(C)s1 14119328 XLFUBQXBMSDLSA-LLVKDONJSA-N 321.467 4.267 0 40 DIAB Cc1nn(-c2ccccc2)c(NC(=O)C(C)C)c1-c1ccccc1 20636406 FQYKEHIEIMTWMC-UHFFFAOYSA-N 319.408 4.442 0 40 DIAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1 23264018 VTCHWYYOFGWRRY-SECBINFHSA-N 301.814 4.019 0 40 DIAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(C)c3C)c2C)c1 24865831 OZWZTKXTBHSBSM-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1cccc(-n2ccnc2SCC(=O)c2ccccc2)c1C 26047272 XLWDZBXOPDSNOM-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB COc1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 27972657 JDUFHUDKILUELY-UHFFFAOYSA-N 308.381 4.056 0 40 DIAB O=C(CCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32089994 JVAMWSMCACKNAU-UHFFFAOYSA-N 318.420 4.292 0 40 DIAB C[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2)C1 32931178 HXDXSJLQUOXYKA-SJORKVTESA-N 312.457 4.213 0 40 DIAB O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCCCC2)cc1 32999892 CHVDBIVUOXWDEJ-MDWZMJQESA-N 324.399 4.468 0 40 DIAB CC(C)c1ccc([C@@H](C)NC(=O)c2noc3c2CCCC3)cc1 40157117 OQDZSLVKRFFLCH-CYBMUJFWSA-N 312.413 4.168 0 40 DIAB CC(C)(C)OC(=O)Nc1ccccc1-c1cccc(C(=O)O)c1 40449465 KEMUFZKOVKMAOE-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB CSc1ccccc1NC(=O)CCCn1c(C)ccc1C 49031039 FJPWWMXSUWOMCP-UHFFFAOYSA-N 302.443 4.246 0 40 DIAB Fc1ccccc1CN1CC[C@H](c2nc3ccccc3s2)C1 49168930 LRFXPJPPOXIFPU-AWEZNQCLSA-N 312.413 4.425 0 40 DIAB biogenic,in-vitro C[C@@H](C1CC1)N(Cc1ccccc1)Cc1nnc(-c2ccco2)o1 52921184 IUAIYOMIIJEIHH-AWEZNQCLSA-N 323.396 4.130 0 40 DIAB Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccccc2n1 69970642 ILESTOVLHBWBGI-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB CC(C)CNc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72213243 IJRARKQPHYQUJQ-IBGZPJMESA-N 309.457 4.487 0 40 DIAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1CC(C)C 72219223 ZUNJJXVLVBBIJK-SFHVURJKSA-N 301.478 4.173 0 40 DIAB O=C(Nc1ccnc(Cl)c1)c1cccc(C(F)(F)F)c1 98175291 HYFDFWYXHKHDBC-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cccc2ccccc12 100100953 LETJYNNVXGYIQZ-HXUWFJFHSA-N 324.387 4.487 0 40 DIAB Cc1sc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)nc1-c1ccccc1 102597453 WMELCSMTMPPVOB-QEJZJMRPSA-N 312.438 4.493 0 40 DIAB CC[C@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=N 102631466 MXHVSVSFQWGVRX-MRXNPFEDSA-N 312.800 4.142 0 40 DIAB Cc1csc(C2=C(O)CN(c3ccc(C(C)C)cc3)C2=N)n1 102726856 HISBTHHJZZYNOR-UHFFFAOYSA-N 313.426 4.341 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 113945504 FPSSMWCEQYLTQI-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1C 138856811 LGVYVQPVEBJYIM-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1ccccc1 222627726 BOBQXMJRXHHGGW-MRXNPFEDSA-N 310.397 4.419 0 40 DIAB CCc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225043790 FDQGKNBGFNXYPB-HXUWFJFHSA-N 320.388 4.477 0 40 DIAB O=C(O)[C@H](Cc1cccc2ccccc12)OCc1ccccc1 225050147 XJNLWYOCXYUWDY-IBGZPJMESA-N 306.361 4.052 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1F)Oc1ccc2ccccc2c1 225052463 POMPBYIBONOZRN-GOSISDBHSA-N 310.324 4.054 0 40 DIAB CC[C@H](C(=O)NCc1ccc(-c2ccco2)o1)c1ccccc1 575609001 MXUOYDLCCIIZLQ-INIZCTEOSA-N 309.365 4.350 0 40 DIAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccco2)cc1 48277 GPXZMSSNJWJING-UHFFFAOYSA-N 313.353 4.021 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccccc3C)n2C)cc1 422799 CMXUQJMVKNONHH-UHFFFAOYSA-N 309.438 4.391 0 40 DIAB CN[C@@H](C)[C@H](Nc1cc(OC)cc2cccnc12)c1ccccc1 1656109 LNRSSOUKXAJCEX-LIRRHRJNSA-N 321.424 4.005 0 40 DIAB Fc1cccc(-c2nnc(-c3cc(F)c(F)c(F)c3F)o2)c1 2183257 BRHQDOAIDMWCBZ-UHFFFAOYSA-N 312.197 4.099 0 40 DIAB O=C(CSc1ccccc1Cl)N1CCc2ccccc2C1 3238917 IWSXBUOVDXTKTR-UHFFFAOYSA-N 317.841 4.017 0 40 DIAB S=C(Nc1cccnc1)NN(c1ccccc1)c1ccccc1 3350708 KDHZRUFYDBRNEO-UHFFFAOYSA-N 320.421 4.121 0 40 DIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4545457 QACCXXVGDSLICR-LKFCYVNXSA-N 302.399 4.285 0 40 DIAB O=C(C[C@H]1CCC[C@H](CC(=O)c2ccccc2)N1)c1ccccc1 4958292 OMAMGHBETNHQJC-RTBURBONSA-N 321.420 4.043 0 40 DIAB biogenic Cc1ccc(Cc2cnc(NC(=O)C3CC3)s2)cc1Cl 5000422 VHVGRUCOHUNZBI-UHFFFAOYSA-N 306.818 4.044 0 40 DIAB CCN(CCCCCCN(C)C)Cc1cc2ccccc2o1 5008224 NAYXYINLGMBKBV-UHFFFAOYSA-N 302.462 4.377 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1ccccc1 5062647 NVIVHVYLYCEBOP-QFBILLFUSA-N 323.436 4.427 0 40 DIAB C[C@@H](NC1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 5254756 ZNSMSWDLNQNJIQ-OXQOHEQNSA-N 323.436 4.274 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1ncnc3ccccc13)C2=O 5791409 XRMHCDORAISTQA-WBHUJUFNSA-N 312.438 4.116 0 40 DIAB Cc1ccc(N(C)C(=S)Nc2cccc3cnncc23)cc1C 6079393 QUSKUDMYKSSHFD-UHFFFAOYSA-N 322.437 4.080 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(F)cc1 6546275 UWFMSRYHDPHCEB-UHFFFAOYSA-N 319.379 4.352 0 40 DIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2C)n1 6810503 VUNKTMDUWSVPSK-UHFFFAOYSA-N 321.833 4.193 0 40 DIAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 6810657 QVHUQUNNHHDPPC-UHFFFAOYSA-N 305.377 4.431 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1F 6938606 SKSKKMGISAXZCW-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 7037005 IQLIQVTUBDUIHQ-IBGZPJMESA-N 311.425 4.141 0 40 DIAB O=c1[nH]c2ccccc2nc1/C=C/c1cccc(Cl)c1Cl 7130307 OUZXQFISWXKRPL-CMDGGOBGSA-N 317.175 4.400 0 40 DIAB CCc1ccccc1NC(=O)c1ncc(-c2ccc(F)cc2)o1 9321901 NWEFOAMUXVZAQT-UHFFFAOYSA-N 310.328 4.295 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 15625192 KWZHRFCOEGVDDI-UHFFFAOYSA-N 311.381 4.067 0 40 DIAB CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1 16755458 CUTPBHRVUHEABV-JXMROGBWSA-N 322.437 4.166 0 40 DIAB Cc1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1 18243849 HGMFBLPKHROMTQ-UHOSZYNNSA-N 319.404 4.068 0 40 DIAB COc1ccc(CC(=O)N(C)Cc2ccc3ccccc3c2)cc1 18825776 LBDLZFUUVVKQSD-UHFFFAOYSA-N 319.404 4.050 0 40 DIAB C[C@H](c1cccs1)N(C)Cc1nc(-c2cccs2)no1 22013480 BKHSYVNQPOBBNH-SNVBAGLBSA-N 305.428 4.053 0 40 DIAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)Cc1cccc(F)c1 26193690 LAWGCJWJCNIHBU-CYBMUJFWSA-N 311.360 4.069 0 40 DIAB C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)CCCC2 32863131 JFNRLQPIVXWEMK-MRXNPFEDSA-N 322.452 4.468 0 40 DIAB CCCOc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 35672126 WKQXOOQUEJONFV-UHFFFAOYSA-N 310.353 4.201 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1 37499104 GSUDLXCJRZXTNM-GFCCVEGCSA-N 318.214 4.249 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)n[nH]2)cc1 44837776 CVFWDUMZORAQON-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1ccccn1 46890019 YHDCJNUNEQNFCJ-ZLPCBKJTSA-N 323.440 4.168 0 40 DIAB C[C@@H](Cc1ccsc1)NC(=O)N(C)[C@H](C)c1cccs1 48858727 IHAIJKMJQWEICU-NWDGAFQWSA-N 308.472 4.143 0 40 DIAB CC(C)c1ccc2nc(CO[C@H]3CCCC[C@H]3C)[nH]c(=O)c2c1 57771811 XTZCLJRKOHCWAS-DYVFJYSZSA-N 314.429 4.142 0 40 DIAB CCOc1ccc/c(=N\Cc2ccccc2)c2c(C)[nH]c(C)c12 95481346 QLMBVVXPQYFNCJ-HEHNFIMWSA-N 306.409 4.284 0 40 DIAB Cc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1 96726967 WMNIZVLDDRMQSS-UHFFFAOYSA-N 307.437 4.236 0 40 DIAB C[C@@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]21 118926667 FHSSMFXPNPSOIA-AJHBJYRYSA-N 304.474 4.205 0 40 DIAB Cc1c(C=O)c2ccccc2n1C(=O)Cc1ccc(Cl)cc1 216953168 NTPUYFHIWLQYBE-UHFFFAOYSA-N 311.768 4.299 0 40 DIAB O=C(NCC1=CCCCC1)/C(=C/c1ccco1)c1ccccc1 223429270 BMDKOJNCEFJESX-XMHGGMMESA-N 307.393 4.437 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 225630100 WCJRMJFOZCKHRY-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2C)c(C)c1 225822935 NFWLYYUNIWMXKF-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB CCCN(C(=O)/C=C\c1ccco1)[C@H]1CCCc2cccnc21 584908697 NWYHQGORWKUOIE-MQNTZWLQSA-N 310.397 4.004 0 40 DIAB CCCCCCOc1ccc(CNCC(OCC)OCC)cc1 2237365265 WBCMPXCRPPCZSO-UHFFFAOYSA-N 323.477 4.134 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O 263553 OAMVIBKEICGPKK-UHFFFAOYSA-N 315.678 4.317 0 40 DIAB CC(C)(C)OC(=O)N1CC[C@H](N)c2c(Cl)cc(Cl)cc21 2512911 LDZWNGAENNODAS-JTQLQIEISA-N 317.216 4.138 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCC1 2515628 YXFYMUNGFMLZDA-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB CSc1ccc(C(=O)c2ccccc2CN2CC=CC2)cc1 2515885 YDRRTPOTCQKCJK-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB CCCCn1nc(NC(=O)CCC)c2cc3ccccc3nc21 2605751 KCOSGWOWXRZGBQ-UHFFFAOYSA-N 310.401 4.123 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 2643013 POHUEURPUCKFTO-UHFFFAOYSA-N 324.140 4.453 0 40 DIAB Cc1ccc([C@@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1C 2919762 IWESXAMWELZRNZ-RBUKOAKNSA-N 318.424 4.350 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCCC1 5888896 JBVUFVYAJKTUFJ-UHFFFAOYSA-N 306.715 4.273 0 40 DIAB CSc1ccccc1NC(=O)COc1cccc(Cl)c1 6051371 SWDTZQYRBJWRAQ-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB CCc1cccc2c(-c3csc(N[C@@H](C)COC)n3)c[nH]c12 7763395 XZTLWKQQXZTNSP-NSHDSACASA-N 315.442 4.301 0 40 DIAB Cc1sc2ncnc(N(C)Cc3ccc(F)cc3)c2c1C 8063513 PCELFBFSPPJVIH-UHFFFAOYSA-N 301.390 4.084 0 40 DIAB COc1c2c(c(OC)c3occc13)OC1(CCCCC1)CC2=O 12296763 BRIQYEOXBUCSFM-UHFFFAOYSA-N 316.353 4.118 0 40 DIAB biogenic Cc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c(C)c1 12492935 SYVIVWINKZAJTG-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1F 13002155 QCFFVPWCMDFFEN-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)noc2n1 14210569 JAQORCFNIRWUAZ-UHFFFAOYSA-N 315.760 4.054 0 40 DIAB CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CCCc2ccccc21 16342916 SDAWHOPSMHPCTF-OAQYLSRUSA-N 317.436 4.382 0 40 DIAB CN1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 19365270 WEUCDJCFJHYFRL-IBGZPJMESA-N 314.860 4.067 0 40 DIAB biogenic,in-man CC[C@H](Nc1ccccc1OC)C(=O)Nc1cc(C)ccc1C 20296737 ZYGGWIBUJOEOBI-HNNXBMFYSA-N 312.413 4.141 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccccc1 20460141 YONSMIMAPAYKQP-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CN(C(=O)c1cc2c(nc3sccn32)s1)C1CCCCC1 21004659 UBAAGYAOQVVIPU-UHFFFAOYSA-N 319.455 4.015 0 40 DIAB Cc1ccc(NC(=O)c2cccnc2NC2CCCCC2)cc1 22053852 JQNOKNBPLHBWTB-UHFFFAOYSA-N 309.413 4.387 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 36623140 SNKIPHWEQZFXRI-JKSUJKDBSA-N 311.425 4.202 0 40 DIAB O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 40156576 ZAJJPROABUPSOI-UXHICEINSA-N 315.372 4.222 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478324 BTMQMNMVWBAXGQ-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 57340174 DAZULSYPMZYYJG-UHFFFAOYSA-N 302.786 4.389 0 40 DIAB Fc1ccccc1[C@@H]1CCN1c1ncnc2c1oc1ccccc12 72313855 OPFAKXNUTQLVLI-HNNXBMFYSA-N 319.339 4.467 0 40 DIAB CCOc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 72331630 RRQKQHSLRWVSKD-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB C[C@@H](NC(=O)c1cc2occc2[nH]1)c1nc(C(C)(C)C)cs1 95432798 BTCOUHQLYDXIIB-SECBINFHSA-N 317.414 4.006 0 40 DIAB CO[C@H](C)c1nc(Cl)cc(-c2ccc3c(c2)CCCC3)n1 96529175 DHRLGBGHFUDAAE-LLVKDONJSA-N 302.805 4.383 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=S)Nc2ccc(F)cc2)C1 100984423 CXUBYVJUPMZQOF-PBHICJAKSA-N 306.450 4.423 0 40 DIAB Cc1nc(-c2cccc(NC(=S)NCCC(C)C)c2)cs1 225180497 CPRWLRORPPLZLB-UHFFFAOYSA-N 319.499 4.451 0 40 DIAB COC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCCCC1 225630128 YQDLLZHLSCAQMM-UHFFFAOYSA-N 305.418 4.152 0 40 DIAB O=C(/C=C/c1ccsc1)NCc1ccc(-c2cccs2)o1 585367274 JZXCPPHOPRNVPG-ZZXKWVIFSA-N 315.419 4.399 0 40 DIAB CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1Cl 28502 RZBKWDXHSUBWDW-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2ccc(Cl)cc2)cc1 350355 YPHLUJRTMSQQOF-CQSZACIVSA-N 323.726 4.072 0 40 DIAB Cc1cccc(-c2nnc(N(C(=O)C3CCC3)C(C)C)s2)c1 1345449 ALOPEFCJBWOFAR-UHFFFAOYSA-N 315.442 4.055 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccco1 3413626 BCUZSUHKKVFCBO-UHFFFAOYSA-N 310.787 4.370 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 3536471 AVTOUVGVIRJOAX-UHFFFAOYSA-N 310.422 4.115 0 40 DIAB CNc1nc(-c2cc(C)n(Cc3cccs3)c2C)cs1 3547685 WWQCYMBCBIEQMU-UHFFFAOYSA-N 303.456 4.380 0 40 DIAB C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(Cl)c23)C1 3887557 RVNLJOQXBUQMNQ-SNVBAGLBSA-N 321.877 4.065 0 40 DIAB COc1ccc(-c2cnc(NCc3cccc(C)c3)n2C)cc1 4678454 UUSYEYSXLHHMKL-UHFFFAOYSA-N 307.397 4.016 0 40 DIAB Cc1ccc(C(=O)N(Cc2cccs2)c2ccccn2)cc1 11914635 DUQNIAMUQOJCFI-UHFFFAOYSA-N 308.406 4.299 0 40 DIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H](C)C1 14168769 OQXTWBQFKULHGW-JTQLQIEISA-N 306.456 4.052 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 15357605 KNBGLICLPNHPDR-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CC(=O)c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 15933795 DHDNTIMMWTZQRA-GOSISDBHSA-N 308.381 4.088 0 40 DIAB Cc1cccc(OCCCNC(=O)Nc2cccc(Cl)c2)c1 18177510 QUUJLYJWNKZTFF-UHFFFAOYSA-N 318.804 4.239 0 40 DIAB CCCc1ncc(CN[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 19525786 PAPSKKLIZVECSO-KOUHRCEDSA-N 321.468 4.101 0 40 DIAB Cc1nc(NC(=O)Cc2ccc(Cl)cc2Cl)sc1C 20343322 LGQXWASXAMYNNQ-UHFFFAOYSA-N 315.225 4.248 0 40 DIAB CCc1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 22714372 KYGRAUWEWVYMGU-UHFFFAOYSA-N 321.355 4.441 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25238520 ZLYUAPIHHSOUAS-VHSXEESVSA-N 304.287 4.068 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1ccnn1C1CCCC1 28247678 YRIIYMNONKIGJN-UHFFFAOYSA-N 304.781 4.296 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 30858318 AQKIGNISJJKSMI-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB CSc1cccc(NC(=O)CCn2ccc3ccccc32)c1 32747709 VCHRNVKDLIWVHT-UHFFFAOYSA-N 310.422 4.392 0 40 DIAB Cc1ccc(-c2onc(C)c2C(=O)N[C@@H](C)c2ccccc2)cc1 35672331 RCSUNKKLLUMKKY-AWEZNQCLSA-N 320.392 4.449 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 36397028 JXKJTLPBHKVRTM-OLZOCXBDSA-N 318.367 4.395 0 40 DIAB O=C(O)c1ccc2nc(-c3cccc(Cl)c3Cl)[nH]c2c1 37400923 SVYIGFUSILKGGR-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1cc2cc(F)ccc2[nH]1 40062008 FCFFHEYQSCYDKA-JTQLQIEISA-N 314.385 4.128 0 40 DIAB Cc1nc(C)c2c(C)c(C(=O)N3CCCCCCC3)sc2n1 41816841 NOTRACHMGUGAKO-UHFFFAOYSA-N 317.458 4.023 0 40 DIAB CC1CCN(c2ccnc3ccc(Br)cc23)CC1 58191591 KYWLHYZGYQYLJZ-UHFFFAOYSA-N 305.219 4.234 0 40 DIAB Cc1csc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 69615959 OIZQNBRSKCGYJO-UHFFFAOYSA-N 320.845 4.125 0 40 DIAB Cc1ccc(-c2nc(CC(=O)OC[C@H]3CC=CCC3)cs2)o1 71878255 BXVMKOVAZKUQFE-ZDUSSCGKSA-N 317.410 4.154 0 40 DIAB CC(C)[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79484177 RLWOTDUWMIPXHH-ZDUSSCGKSA-N 309.435 4.126 0 40 DIAB FC(F)Oc1ccc(-c2noc(-c3cccnc3Cl)n2)cc1 89262772 DGCSHEREVVTYRA-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB CC1(NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CCCCC1 96999582 YPMHZFTYXKLCHP-MQVJKMGUSA-N 322.493 4.229 0 40 DIAB CCOC(=O)c1sc(-c2ccc(N)cc2)nc1-c1ccccc1 98071512 TVBIPAAHBCGKNO-UHFFFAOYSA-N 324.405 4.236 0 40 DIAB COc1ccc([C@@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)cc1 101544026 SAUNJAVYPWJNFV-MRXNPFEDSA-N 321.424 4.074 0 40 DIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118933369 XAECMTJMUAHJFL-MNHVPCHLSA-N 306.490 4.141 0 40 DIAB CCc1ccc(CC(=O)Nc2ccccc2Br)cc1 128084034 VKYPHUFNWLVROU-UHFFFAOYSA-N 318.214 4.193 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 219850533 HIGABHNIQLWKEZ-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB O=C(Cc1cccc(Cl)c1)NCc1ccc2ccccc2c1 222817566 GACSYMAKRRXLIX-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1Cl 223561466 MUHWWGJROUMEMV-UHFFFAOYSA-N 324.207 4.274 0 40 DIAB Cc1csc(-c2ccc([C@@H]3CCCN(C(C)C)C3)nc2)n1 257241774 HZNVHJJKZGQSGX-OAHLLOKOSA-N 301.459 4.101 0 40 DIAB Cc1cccc(C)c1OCc1ccc(NC(=O)c2ccco2)o1 334160898 OFHQSVFOACOAQE-UHFFFAOYSA-N 311.337 4.321 0 40 DIAB CCOC(=O)Nc1cccc(N[C@H](C)c2cccc(O)c2)c1C 390835024 BAAREXBAZHDVHX-CYBMUJFWSA-N 314.385 4.442 0 40 DIAB Cc1ccc(Cl)cc1-c1noc(-c2cccc3[nH]ncc23)n1 546398045 ZJZRISHRDMQLNI-UHFFFAOYSA-N 310.744 4.242 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2F)c(Br)c1 59628 INHYUWHZXATWSR-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB Cc1ccc(NC(=O)COc2ccccc2Cl)cc1Cl 172579 HWLQRWOKSNCENW-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB COc1ccc(-c2noc(-c3cc(C)ccc3C)n2)cc1OC 514702 POYAUUJRFUYXKU-UHFFFAOYSA-N 310.353 4.038 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 560101 RRKTZVYOKPLEPL-ZDUSSCGKSA-N 313.397 4.470 0 40 DIAB CCOc1cc2c(cc1[C@H](C)c1ccc(OC)c(C)c1)OCO2 1584167 AMRTUKWKRWVFJJ-CYBMUJFWSA-N 314.381 4.283 0 40 DIAB CCC(CC)NC(=O)c1oc2ccc(Br)cc2c1C 2726277 YJUFDRHUDQJUNQ-UHFFFAOYSA-N 324.218 4.422 0 40 DIAB COc1ccccc1NC(=S)Nc1cccc(Cl)c1C 3180442 FAJHONIEWITXES-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB CN(C)CCCN1C[C@@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 4946262 BTJLGJXSCRPCIT-TUFLPTIASA-N 316.533 4.177 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\C=C\c1ccccc1 5328225 CQLPNSSOUAVJOB-HZEXGNMRSA-N 301.345 4.252 0 40 DIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccs1 5689329 IZAFNMYUKNELPL-UHFFFAOYSA-N 300.427 4.381 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)c(C)c1 7796253 DVZOHJUIUQCNIY-GXFFZTMASA-N 300.427 4.330 0 40 DIAB CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 7925029 DNDFGAXDHSDWFM-MRXNPFEDSA-N 307.846 4.458 0 40 DIAB CCN(Cc1cccs1)C(=O)NCCc1ccc(Cl)cc1 8705304 OOEPTUIFRWDSRP-UHFFFAOYSA-N 322.861 4.176 0 40 DIAB C[C@H](NC(=O)/C=C\c1ccccc1)C1C2CC3CC(C2)CC1C3 12438627 ZZIDYYQEZLPFFD-ODAKYSLOSA-N 309.453 4.277 0 40 DIAB Cc1ccc(-c2noc(-c3cc4cccc(C)c4oc3=O)n2)cc1 12946016 BIXLSYXSJTTYDT-UHFFFAOYSA-N 318.332 4.127 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)c1csc(-c2ccsc2)n1 12999183 MQZHOYVBDKABQW-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB Cc1cc(Nc2ccc(F)c(F)c2)nc(-c2ccccc2O)n1 13126814 OTVFFAMHFLIPFE-UHFFFAOYSA-N 313.307 4.179 0 40 DIAB COC[C@H](C)NC(=O)N1c2ccccc2Sc2ccccc21 13717273 ZDFQXCBAZSJIIA-LBPRGKRZSA-N 314.410 4.034 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)Nc1cc(F)ccc1F 15005394 JVXOKAKAADRGAJ-UHFFFAOYSA-N 314.335 4.408 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 20106900 NBUIDJJDWDUKMZ-INIZCTEOSA-N 317.360 4.021 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1(C)C 23763303 YAUAFGPTXQMMON-FZMZJTMJSA-N 315.442 4.315 0 40 DIAB O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1cccs1 26910608 SNKYFEFEUFJTTO-KRWDZBQOSA-N 313.447 4.258 0 40 DIAB Cc1nc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)sc1C 40012198 ZYXIKPWAWUHPDO-RNCFNFMXSA-N 304.415 4.048 0 40 DIAB Cc1ccccc1CCNC(=O)c1[nH]c2ccccc2c1Cl 40145075 DRDDYMSMUDZMAA-UHFFFAOYSA-N 312.800 4.102 0 40 DIAB Cc1cc2nc(-c3ccc(F)cc3)cn2cc1Br 40383969 BOVZUZNPCJPMPE-UHFFFAOYSA-N 305.150 4.211 0 40 DIAB Cc1cccc(-c2noc(CNc3ccccc3OC(C)C)n2)c1 55843465 KWBDJRMHZDDFIH-UHFFFAOYSA-N 323.396 4.444 0 40 DIAB Cc1nc(-c2ccccc2)n(CCCOc2ccc(C)c(C)c2)n1 60374536 BKNGLKBNWCRXIS-UHFFFAOYSA-N 321.424 4.339 0 40 DIAB COc1ccccc1Oc1ccc(C(=O)NCc2ccccc2)o1 72265333 IKSHARYPFFVNLV-UHFFFAOYSA-N 323.348 4.011 0 40 DIAB NC(=S)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 73633996 FZUSDNGOXFERQY-UHFFFAOYSA-N 323.204 4.436 0 40 DIAB CC[C@@H](c1ccccc1)[S@@](=O)Cc1cn2c(C)cccc2n1 95440960 JJIZLFSFXSABBK-HTAPYJJXSA-N 312.438 4.043 0 40 DIAB Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1C(=O)O 96404591 HFTUFZKFAJSWEO-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1OC 113970205 AVLJKQMSDHOPFN-INIZCTEOSA-N 313.397 4.108 0 40 DIAB C[C@@H](C(=O)O)N(C)c1cc(Cl)ccc1Oc1ccccc1 225004885 WFBGXTDWBKLKFE-NSHDSACASA-N 305.761 4.042 0 40 DIAB CCCO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132505 DTSIFSVKXQHQCJ-INIZCTEOSA-N 316.422 4.260 0 40 DIAB O=C(NCc1ccnc(-c2ccsc2)c1)Nc1cccs1 225757270 WTEUCBWZBHQRCG-UHFFFAOYSA-N 315.423 4.193 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2[C@@H](O)CO 257346096 QUQBOXYLXZAONE-XDUKTRNDSA-N 320.517 4.389 0 40 DIAB COc1cccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408558200 SDZBAXMLUKQZIJ-INIZCTEOSA-N 319.813 4.127 0 40 DIAB Clc1ccc(OCCCOc2ccc3ncncc3c2)cc1 578701140 YQQRTRKNUCGGCG-UHFFFAOYSA-N 314.772 4.131 0 40 DIAB O=C(CCc1ccccc1F)N1CCc2sc(Cl)cc2C1 618256760 WPOGCCSGVSXWID-UHFFFAOYSA-N 323.820 4.058 0 40 DIAB CN(c1ncnc2ccc(Br)cc12)C1CCCCC1 140142 GEBCHLLLTHNTSB-UHFFFAOYSA-N 320.234 4.161 0 40 DIAB Cc1ccc(NC(=O)c2cccc(Br)c2)cc1C 306799 RXKRCHYYNMLMGK-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1ccccc1S[C@H](CCN(C)C)c1ccccc1 346571 HBUABFKAIXAYRY-QGZVFWFLSA-N 301.455 4.480 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc(C(C)C)cc1 539997 RHILRVWOEPWGFF-FQEVSTJZSA-N 322.408 4.358 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 558369 UEZBMXHIUPEBTJ-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CCc1ccccc1-n1ncc(C(=O)Nc2cccc(C)c2)c1C 1018244 WSUKIMMPCYTPDP-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB O=C(NCCc1ccccc1)c1ccccc1-c1ccccc1 1049837 QRSSVDLGQLGIAF-UHFFFAOYSA-N 301.389 4.326 0 40 DIAB O=C(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1724547 IBIBFYMDRZDJKR-UHFFFAOYSA-N 314.728 4.036 0 40 DIAB in-vitro CCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 1739278 IGOSJDPBTLTXOW-UHFFFAOYSA-N 311.406 4.203 0 40 DIAB COc1ccc(OC)c(CSc2ccc(OC)c(OC)c2)c1 1856894 WDYADNBAOWNPID-UHFFFAOYSA-N 320.410 4.013 0 40 DIAB CCCCCCNc1nc(Cl)nc(Nc2ccccc2)n1 2359475 ZNSBTKQZRZZRGG-UHFFFAOYSA-N 305.813 4.261 0 40 DIAB CCN(CC)C(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2741678 VLCMKSXSUGNBDM-UHFFFAOYSA-N 308.381 4.285 0 40 DIAB COc1cc2ccccc2cc1C(=O)N1CCc2ccccc21 3517589 DQLRNKXIDJCSJI-UHFFFAOYSA-N 303.361 4.051 0 40 DIAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 4681374 WMMPDNSCQZHQJG-ZDUSSCGKSA-N 317.816 4.375 0 40 DIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 5234578 GDXCZTVLOYWNSO-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 5755517 PMSGUPOSGRBNOE-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 6225229 IHVZOZIVWYCGLU-ZZXKWVIFSA-N 315.844 4.438 0 40 DIAB O=C(CSc1cccc2cccnc12)NCC1CCCCC1 6882241 SMWXMGIPRJYLMW-UHFFFAOYSA-N 314.454 4.023 0 40 DIAB CC(=O)c1cn([C@@H](C)C(=O)Nc2ccc(F)cc2)c2ccccc12 6956489 CVSXASFIOKSOHV-LBPRGKRZSA-N 324.355 4.183 0 40 DIAB Cc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 7917349 DBQAEUKVNBJZID-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB CC(=O)Nc1ccc(-c2csc(NC(C)(C)C)n2)c(F)c1 8157260 VJVHHKWJVLUSTA-UHFFFAOYSA-N 307.394 4.118 0 40 DIAB Cc1ccc(CCC(=O)NCCSC2CCCCC2)cc1 10336520 GIJKRWBIKFGHRH-UHFFFAOYSA-N 305.487 4.110 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Br)cc1 13670216 QWXNVPLSRPWFKU-LLVKDONJSA-N 316.198 4.041 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1 13820269 XYJXZPMGJSDFLB-CQSZACIVSA-N 314.454 4.003 0 40 DIAB CCOC(=O)Cc1nc(-c2sc3ccccc3c2C)cs1 16682898 DOVXCGGKNCMHPK-UHFFFAOYSA-N 317.435 4.439 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1c(F)cccc1F 20110406 DUGCASUPQFYWTK-OAHLLOKOSA-N 319.351 4.378 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 22515797 MLPYDDVVGIEYJL-ZIAGYGMSSA-N 317.816 4.293 0 40 DIAB c1ccc(Cn2cc(CN[C@H]3CCCc4ccccc43)cn2)cc1 24081590 NZVUDFDNJSEDBR-NRFANRHFSA-N 317.436 4.099 0 40 DIAB Cc1cc(CN2CCCC[C@@H]2c2nc3ccccc3s2)no1 24985685 REASRLRCBQPKLS-OAHLLOKOSA-N 313.426 4.320 0 40 DIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@@H]21 25248030 UXZAFDOLHQOKQD-MFKMUULPSA-N 313.228 4.183 0 40 DIAB O=C(O)C[C@H](c1ccccc1)c1ccc(Br)cc1 25496827 YWVPNKXYIIUHMY-CQSZACIVSA-N 305.171 4.056 0 40 DIAB CCn1c(SCc2cccc(C)c2)nc2ccsc2c1=O 27827683 APHGFYDTZTYQDJ-UHFFFAOYSA-N 316.451 4.079 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)NCCC2=CCCCC2)cc1C 28872054 YFGQRYMHDQTXGQ-MRXNPFEDSA-N 300.446 4.111 0 40 DIAB O=C(c1cc2c(s1)CCC2)N1CCC(c2ccccc2)CC1 32366649 DHYPKXWAGXKBME-UHFFFAOYSA-N 311.450 4.257 0 40 DIAB CCc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1Cl 32652312 OBMVSYKIKVNXGQ-GFCCVEGCSA-N 319.832 4.383 0 40 DIAB O=C(Cc1ccccc1)c1c[nH]c2ccc(Br)cc12 37364139 VHMKKWGDNCIPDO-UHFFFAOYSA-N 314.182 4.356 0 40 DIAB CC(C)(C)[C@@H](NC(=O)NCCc1ccccc1)c1cccs1 48333035 ZEAMVZLJRGXJOO-INIZCTEOSA-N 316.470 4.377 0 40 DIAB Clc1cc2c(c3ncccc13)OCN(C1CCCCC1)C2 54114369 FENILMJBVROUET-UHFFFAOYSA-N 302.805 4.373 0 40 DIAB CC(=O)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O 56894673 VHUIIUFZIMAPMX-UHFFFAOYSA-N 315.731 4.190 0 40 DIAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C 72213019 HXTHWRQNVYJQKN-GOSISDBHSA-N 303.494 4.498 0 40 DIAB Cc1ccc(SCC(=O)Nc2c(C)cc(C)nc2Cl)cc1 78000282 SOIOEPAAWHABPC-UHFFFAOYSA-N 320.845 4.391 0 40 DIAB Cc1c(Cl)cccc1NCc1noc(-c2cccs2)n1 78252392 PDMJPCRITPFCCM-UHFFFAOYSA-N 305.790 4.372 0 40 DIAB O=C(CCC(=O)c1ccccc1)NCc1cccc2ccccc12 79142931 YQDJTISUBCSSJU-UHFFFAOYSA-N 317.388 4.119 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)c1ccnc2ccccc12 83309603 SUUDYUWGAFSONN-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB O=C(NCc1csc2ccccc12)N[C@H]1C[C@@H]1c1ccccc1 95955041 GKLOYYLFCVYAKR-SJORKVTESA-N 322.433 4.257 0 40 DIAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1cccc(C(F)(F)F)c1 100449349 YFQPCWHDWXMIFZ-XYPYZODXSA-N 314.303 4.169 0 40 DIAB COc1cc(Br)c2[nH]c(-c3ccccc3C)nc2c1 216912998 CNFBXVGRIRKXLZ-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB Cc1ncc(C(=O)Nc2ccccc2Sc2ccccc2)cn1 222590830 FVVMNRUIVBTEAF-UHFFFAOYSA-N 321.405 4.189 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCCSC1CCCC1 225313151 HIZYEFXPMZFBNH-UHFFFAOYSA-N 311.878 4.065 0 40 DIAB Cc1ncsc1CN1CCCc2c([nH]c3c(F)cccc23)C1 547399920 RIFPIZLNJCKTOC-UHFFFAOYSA-N 315.417 4.020 0 40 DIAB CC[C@H](NC(=O)N1CCC2(CCC2)CC1)c1ccc(OC)cc1 585082964 VEBSXFKROGINEZ-KRWDZBQOSA-N 316.445 4.122 0 40 DIAB Cc1cc2cc[nH]c2cc1NC(=O)N1CCc2ccc(F)cc21 1562626656 BKNQZEKDCBRCEN-UHFFFAOYSA-N 309.344 4.210 0 40 DIAB O[C@H](c1cc(Br)cc(C(F)(F)F)c1)C(F)(F)F 1857793240 VAVSNIFJYBZMBU-SSDOTTSWSA-N 323.030 4.064 0 40 DIAB O=C(NCCc1cccs1)c1ccc(Cl)cc1Cl 100694 VLVSLLKIIAIUAT-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB O=c1c2c(nc3n1CCCCC3)-c1ccccc1CC21CCCC1 282948 SNWRFBJVHRLSSZ-UHFFFAOYSA-N 320.436 4.005 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 1465060 AYJAUZIVIWMUQC-UHFFFAOYSA-N 319.360 4.269 0 40 DIAB CN(C)CCCN1C[C@H]2[C@H]3CCCCC3=C3CCCC[C@@H]3[C@H]2C1 1680252 BTJLGJXSCRPCIT-XSDIEEQYSA-N 316.533 4.177 0 40 DIAB O=C(c1ccc(Cl)cc1)N(c1ccccn1)c1ccccn1 3169114 BWPPLXQGIQVEDQ-UHFFFAOYSA-N 309.756 4.109 0 40 DIAB CC(C)OC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 3547670 KFONQJBZIMHEQA-UHFFFAOYSA-N 323.348 4.250 0 40 DIAB Cc1ccccc1OCCn1c([C@H]2CCCO2)nc2ccccc21 4386866 RLQFODRUFQHPTH-LJQANCHMSA-N 322.408 4.275 0 40 DIAB CC(=O)c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 5192876 ISHIZCUHJZKKLG-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1NC(=S)Nc1ccccc1 6275627 JQHPSXNDKZFEKB-UHFFFAOYSA-N 322.437 4.298 0 40 DIAB CCCCN(CC)C(=O)COc1ccc(Cl)cc1Cl 6310342 XYZXDWHGJNAHJS-UHFFFAOYSA-N 304.217 4.021 0 40 DIAB CC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C)c1 6638408 VLQSBEPQVNDRAV-UHFFFAOYSA-N 320.348 4.105 0 40 DIAB CCc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 6876004 YLFAXCRWLAGUEH-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB O=C(COC(=O)c1cc2c(s1)CCCCC2)c1cccs1 6943805 BZWTWQYLSPEDOI-UHFFFAOYSA-N 320.435 4.118 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)OCc1cccc(Cl)c1 7154684 LSQUNSSCKQHEJI-CMDGGOBGSA-N 313.740 4.238 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Cl)cc1 7935337 YEHBFTXMQQFBAE-LLVKDONJSA-N 321.829 4.468 0 40 DIAB Cc1noc(C)c1CN(C(=O)c1ccccc1F)c1ccccc1 8750625 JVLYQBGDRKWDLH-UHFFFAOYSA-N 324.355 4.278 0 40 DIAB O=C(NCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)C1CC1 9961274 UHHCUQVAVRQKKA-QGZVFWFLSA-N 314.816 4.291 0 40 DIAB CCc1ccc(NC(=O)Nc2ccc(CN3CCCC3)cc2)cc1 13325266 WLHNBPXTUWDGPL-UHFFFAOYSA-N 323.440 4.489 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccccc1 13931534 MVNUSXWYRNRYSA-CQSZACIVSA-N 306.381 4.403 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 14184567 XPRKKIRQMCKJOE-HNNXBMFYSA-N 322.433 4.316 0 40 DIAB CCc1ccc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 14186845 OZMZOMWQFFIZQB-UHFFFAOYSA-N 311.410 4.261 0 40 DIAB COc1ccc(C(C)=O)cc1CN(C)[C@@H]1CCCc2ccccc21 15261647 NXWDZMUIBJUSAJ-HXUWFJFHSA-N 323.436 4.407 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 15693111 IYICTFZCCWUFGE-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB COc1ccc(Nc2ccc(NC(=O)c3ccccn3)cc2)cc1 17593146 ZJLOCPACWDSVTD-UHFFFAOYSA-N 319.364 4.086 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 20489527 GMSJPOBFNGIYQS-UHFFFAOYSA-N 317.816 4.158 0 40 DIAB COC(=O)Nc1ccc(SCC(=O)c2ccc(C)cc2)cc1 26507537 TTXPJCUBXODYMT-UHFFFAOYSA-N 315.394 4.148 0 40 DIAB COc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1F 26766392 XXCUUTZZSTZAQX-ZRDIBKRKSA-N 305.393 4.077 0 40 DIAB Clc1ccc2[nH]c(-c3cncc(Br)c3)nc2c1 34781577 IQRKHFKEXYMQHY-UHFFFAOYSA-N 308.566 4.041 0 40 DIAB CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1C 36961023 VIWIXQDYZMZHRD-UHFFFAOYSA-N 309.196 4.364 0 40 DIAB COC[C@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 40161601 YHIPYKZXLGQYGJ-VIFPVBQESA-N 316.348 4.276 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCSc2ccccc21 41155137 VMFYHUHRTOWFCM-UHFFFAOYSA-N 322.389 4.094 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccccc1C 59267344 HMBONLPZVGXPMY-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1cc2c(Nc3ccncc3)nc(-c3cccnc3)nc2s1 72260891 ZFBWORKKOUZXLH-UHFFFAOYSA-N 319.393 4.200 0 40 DIAB CSc1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 78796576 UQLLPVUCENLKNU-DTWKUNHWSA-N 323.405 4.321 0 40 DIAB CCCOC(=O)/C=C/c1ccc(OCc2ccccc2F)cc1 85397228 GGJYHHBRAKUXKA-FMIVXFBMSA-N 314.356 4.371 0 40 DIAB CCOC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)o2)on1 96190709 DMPSWAJYIGQOCZ-UHFFFAOYSA-N 317.272 4.043 0 40 DIAB Cc1occc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193977 LWKUCEVEJCLTDI-UHFFFAOYSA-N 322.349 4.167 0 40 DIAB Cc1nn2c(O)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 100756812 UOSIYAURDMLIGM-UHFFFAOYSA-N 315.804 4.361 0 40 DIAB Clc1ccc([C@H](N[C@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1Cl 108373396 ARHWSQONRPKMJL-MSQAHXEGSA-N 312.240 4.354 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc2c(s1)CCCCC2 108999597 RMNDWLBFADQZHZ-AVGNSLFASA-N 304.459 4.177 0 40 DIAB Nc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216917325 PDRHHKOITZXBDE-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB O=C(CCc1ccccc1Cl)NCCCc1ccc(F)cc1 220015008 XAPMQCNNNAKMNQ-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2F)cc1 222709422 ACKOXZBTEQXQPL-AWEZNQCLSA-N 317.429 4.245 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223231599 SGUCSJZNAUGUHF-CQSZACIVSA-N 309.409 4.065 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C 225655494 FDHOWQHFUWPXKY-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccccc2)cc1 225773090 JZPYOJPRGZGJCF-ZDUSSCGKSA-N 323.421 4.005 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(C(=O)O)cc(Cl)c1Cl 226354934 OITIIODPCBGGTH-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CC(C)CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@@H]2CCC[C@@H]12 257278654 ODCGOAVPQHJCAS-BSDSXHPESA-N 307.478 4.055 0 40 DIAB Fc1ccc2c(N3CCC(c4ccncc4)CC3)nccc2c1 577488317 SMGMMJOGBGOUPD-UHFFFAOYSA-N 307.372 4.153 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 35969 HBXTWSAQJYPCGH-JTQLQIEISA-N 324.207 4.493 0 40 DIAB CCC[C@@H](Nc1ccc(F)cc1F)n1nnc2ccccc21 49086 SRTAWQWKYADUJB-INIZCTEOSA-N 302.328 4.120 0 40 DIAB c1ccc(-n2ncc3c(SC4CCCCC4)ncnc32)cc1 82073 YRXBEJKDFORDAB-UHFFFAOYSA-N 310.426 4.240 0 40 DIAB Cc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)c(C)c1 385053 COJCBECRJVUJFV-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB Cn1c(=O)c(Oc2ccc(Cl)c(Cl)c2)nc2ccccc21 1382195 BXJCIIULCWDPGN-UHFFFAOYSA-N 321.163 4.033 0 40 DIAB CCN(CC)CCCNc1cc(OC)c(Cl)c2cccnc12 1733774 MFNXIWIVXFIUSK-UHFFFAOYSA-N 321.852 4.041 0 40 DIAB COc1ccccc1NC(=O)N(C)Cc1ccc(Cl)cc1 1739126 WHIKDJKKHWVDAH-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB O=C(N[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 2044418 MQFNDRPLCKPYRR-IBGZPJMESA-N 315.372 4.041 0 40 DIAB CC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 3200566 VBIGMIPVNCPKTE-CQSZACIVSA-N 322.360 4.125 0 40 DIAB COc1ccc(-c2csc(NCc3ccco3)n2)c(OC)c1 3325107 SKJVDDBBKSYPDU-UHFFFAOYSA-N 316.382 4.032 0 40 DIAB S=C(NCCCc1ccccc1)Nc1ccccc1Cl 3326340 HLESNLDLVYVEGQ-UHFFFAOYSA-N 304.846 4.259 0 40 DIAB Cc1cc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)no1 3357928 NNTGJHOKHVKPGP-UHFFFAOYSA-N 322.792 4.086 0 40 DIAB Brc1cccc(COc2ncnc3sccc23)c1 3439250 KZJSCEKRMQYWES-UHFFFAOYSA-N 321.199 4.033 0 40 DIAB CC[C@@H](C)c1ccc(Nc2nc(C)c(C(=O)N(C)C)s2)cc1 6910759 HEYOCKLILOLLPT-LLVKDONJSA-N 317.458 4.410 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2C)cc1 7420734 AMEPRGGQWVLDOZ-INIZCTEOSA-N 310.441 4.016 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1 11550598 BIJWOSWAYHXHMA-UHFFFAOYSA-N 310.806 4.074 0 40 DIAB CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12596043 WEINFWJIFOOGPV-GFCCVEGCSA-N 317.820 4.298 0 40 DIAB Cc1ccc(C)c(NC(=O)Cc2csc(-c3ccco3)n2)c1 12785244 BGLFYWKRYQOXRO-UHFFFAOYSA-N 312.394 4.201 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc2ccccc12 13391253 XETUZJNQRSKESG-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB CN(Cc1nc(-c2cccc(Cl)c2)no1)Cc1cccs1 16375439 PJCCDTYUEUVPSR-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB CCc1ccc2oc(-c3cc(N)c(OC)c(Cl)c3)nc2c1 26509136 NTZQQMCSDQHGLZ-UHFFFAOYSA-N 302.761 4.301 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 31544002 WIBBQFXYSXGSHX-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1cccs1 32988686 DWLLUABBNAPSFN-DOMZBBRYSA-N 319.401 4.018 0 40 DIAB Cc1ccc(NC(=O)N2CCCCCC2)c(Br)c1 40098526 SPMXLRLVYSBBGI-UHFFFAOYSA-N 311.223 4.165 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)o1 53641491 XKAZFTJZCYICTH-SWLSCSKDSA-N 308.381 4.157 0 40 DIAB O=C(C=C1CCCCC1)Nc1ccc(CCN2CCCC2)cc1 65877282 RYENUOAXAMSYEK-UHFFFAOYSA-N 312.457 4.154 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1NC1CC1 72213747 RDPCFKKATKVQLW-HNNXBMFYSA-N 317.433 4.118 0 40 DIAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1Cc1ccccc1 72218706 QZJFAOJKHNTLPZ-IBGZPJMESA-N 309.457 4.183 0 40 DIAB CCN(CCC(F)(F)F)C(=O)Nc1cccc(Cl)c1OC 78550125 MJVMNOGLMKSCEZ-UHFFFAOYSA-N 324.730 4.155 0 40 DIAB COCc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 81832948 LXVQWXRLXKWBJC-UHFFFAOYSA-N 324.424 4.076 0 40 DIAB Cc1ncc(C(=O)Nc2ccccc2N2CCCCCC2)s1 84290584 BQLZXDRJWSNEBS-UHFFFAOYSA-N 315.442 4.084 0 40 DIAB O=C1S/C(=C/c2cccs2)C(=O)N1CCc1ccccc1 98003422 GNOJSQANIAJGQN-SDNWHVSQSA-N 315.419 4.027 0 40 DIAB CCC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224218145 HYBYHRIJMIZUDI-KDOFPFPSSA-N 303.446 4.028 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1C 225629243 OYKGIASQUPOQIQ-OAHLLOKOSA-N 319.445 4.460 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 226266029 RLBSMLNMUGAPNI-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB CSc1ccc(CCC(=O)N2CCC(=C3CC3)CC2)cc1 238856959 KAWCLKTWNBYDNI-UHFFFAOYSA-N 301.455 4.054 0 40 DIAB CN(C)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 567756 RMWLIBRCZGMAOZ-UHFFFAOYSA-N 316.404 4.257 0 40 DIAB CCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C 2252990 HELUEMOUPYFJAC-UHFFFAOYSA-N 301.386 4.319 0 40 DIAB aggregator O=c1c2ccccc2nc(Nc2ccccc2)n1-c1ccccc1 3211807 ZILJZYAXXDAWRP-UHFFFAOYSA-N 313.360 4.129 0 40 DIAB C[C@H](NC(=S)Nc1cccc(OC(F)F)c1)C(C)(C)C 3260286 JXDBQZDCMZRUKY-VIFPVBQESA-N 302.390 4.009 0 40 DIAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCO1 4082451 KIQVNALXPHVLAB-QONVVCGCSA-N 300.442 4.287 0 40 DIAB biogenic CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 4108131 SSJSLAWCQXIKDK-BMIGLBTASA-N 313.426 4.087 0 40 DIAB O=C(OCc1ccccc1)Sc1nnc(-c2ccccc2)o1 5947049 KRGKWUOPTAVCLY-UHFFFAOYSA-N 312.350 4.166 0 40 DIAB CN(C)CCSc1nc2ccccc2n1C1CCCCC1 6568729 INHOYBZSHOOEHP-UHFFFAOYSA-N 303.475 4.195 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 7971021 YNNWUBBXCWMILW-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB Cc1nc(NC(=O)c2oc3ccc(F)cc3c2C)sc1C 9364821 ZUTSCQWPTKFDFB-UHFFFAOYSA-N 304.346 4.206 0 40 DIAB CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 10448414 UEBVGULXPPKXIU-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB Cc1cc(NC(=O)[C@H](C)Sc2ccc3ccccc3c2)on1 10997109 XHCJMKIFZRMCFC-LBPRGKRZSA-N 312.394 4.256 0 40 DIAB CC(C)c1ccc(OCCCn2c(CO)nc3ccccc32)cc1 11567973 PIMGUVDFECFCLB-UHFFFAOYSA-N 324.424 4.121 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709040 VFNMHFZVZSZEOM-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB CCSc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1 14116109 MWWKTOMTXRDSHA-UHFFFAOYSA-N 310.422 4.144 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(C)C 14784311 YWIXEQAXNYABCG-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(OC(F)F)c1 14909927 HOFWAYNIOJIYSN-CYBMUJFWSA-N 319.351 4.039 0 40 DIAB Cc1nc2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc2o1 15565559 HMYZIBSGDCMBBH-UHFFFAOYSA-N 319.364 4.189 0 40 DIAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1Cl 17907949 JPBBNVNLHXCXJY-LBPRGKRZSA-N 310.784 4.379 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1cccc2cnccc12 21218293 GGMWEXMXDMWKME-UHFFFAOYSA-N 320.392 4.205 0 40 DIAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)cc1 21837033 YXLYJCKYRVXDRR-KRWDZBQOSA-N 317.816 4.159 0 40 DIAB Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccn2)c1 23043541 RNUYBZSIFZTPLD-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB Cc1cc(NC(=O)Nc2ccc3c(c2)-c2ccccc2C3)no1 24688827 ZCUVSQAJZZLUBC-UHFFFAOYSA-N 305.337 4.198 0 40 DIAB COCc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 24871452 UUJOOSLYPLJHEX-UHFFFAOYSA-N 317.388 4.337 0 40 DIAB Cc1nc2cc(NC(=O)Cn3c(C)cc4ccccc43)ccc2o1 29796227 BZNGCSFJAMAXSR-UHFFFAOYSA-N 319.364 4.038 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCCc2ccc(F)cc21 40117193 ZKLFTUDVSHCMLD-UHFFFAOYSA-N 322.383 4.219 0 40 DIAB O=C1[C@@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 40156577 ZAJJPROABUPSOI-PMACEKPBSA-N 315.372 4.222 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)n[nH]2)cc1 44837613 BALJAFVOZOSZSA-UHFFFAOYSA-N 305.381 4.254 0 40 DIAB CCOc1ccccc1NC(=O)CCCc1ccc(OC)cc1 61110969 GTGWXGJVDAGDLU-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1C 72229442 ZXECOHGZDGVKHQ-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CSc1nc(Cl)ccc1C(=O)N[C@H](C)c1ccccc1C 75108432 PKIMVJKOMDKQPY-LLVKDONJSA-N 320.845 4.256 0 40 DIAB CCC[C@H]1[C@H](C)CCCN1C(=O)c1oc2c(c1C)C(=O)CCC2 81180431 DKQXCMQWQJLDNT-OCCSQVGLSA-N 317.429 4.148 0 40 DIAB Cc1cc(C)c(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1C 95095775 OAYZIVBUUKEKIY-UHFFFAOYSA-N 314.410 4.303 0 40 DIAB CCOc1ccc(C(=O)c2ccc3cc(OC)ccc3c2)cc1 95917106 ALUBAWBWPGUIII-UHFFFAOYSA-N 306.361 4.478 0 40 DIAB O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(Cl)o1 158465440 DOHQFXXDMRAQEJ-UHFFFAOYSA-N 322.151 4.024 0 40 DIAB O=C(/C=C/c1ccco1)N1CCCC[C@H](c2ccc(F)cc2)C1 206669347 OBGXWUHZPYNBFN-OFAQMXQXSA-N 313.372 4.228 0 40 DIAB Cc1cc(C)c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c(C)c1 222975394 IILXXOCBRCVUDB-UHFFFAOYSA-N 317.454 4.054 0 40 DIAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1 224618525 PRIYOWDFGNMUBY-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB Cc1cccc(CSCCNC(=O)c2cc(C)ccc2C)c1 225878328 JYHHFZDIQNSCDM-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(O)c2n1 685938040 HKHBCTPRHMRVRC-SNVBAGLBSA-N 310.319 4.338 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 43163 BWQVUPPKSUTPOC-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB COc1ccc(NC(=S)Nc2c(C)cccc2C)cc1OC 66976 KACIZJBNBHMDSW-UHFFFAOYSA-N 316.426 4.130 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(C(F)(F)F)cc1 2580331 DLPUXFZXLXYDEF-UHFFFAOYSA-N 316.319 4.402 0 40 DIAB CSc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 3328210 IHXISSWSRHLKNJ-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1 3566783 FFXOHGUJSMPDLG-BJMVGYQFSA-N 321.298 4.366 0 40 DIAB CCCOc1ccc(NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1 4778863 XHPFKSNDTFAUKX-UHFFFAOYSA-N 324.380 4.218 0 40 DIAB CN1C(=O)/C(=C/c2cc(Br)cs2)c2ccccc21 6007796 BOPYVRQHUDEGFS-KPKJPENVSA-N 320.211 4.028 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2C)cc1OCC 6339302 QZTIIFOTQDGCRG-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)nc(Cl)c1 6590368 RTFHEIBSQAVMJI-CYBMUJFWSA-N 321.207 4.196 0 40 DIAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1Cl 6850877 GKTPFLRXSUNONJ-SSDOTTSWSA-N 321.755 4.341 0 40 DIAB COc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 6897156 PGNVRGXVXBEQLQ-QGZVFWFLSA-N 312.438 4.059 0 40 DIAB COc1cc(NC(=O)c2cccc(C)c2C)c(OC)cc1Cl 7406055 ZUSMRJFRIVHPDY-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1cccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 7684293 HNZIWXRUVKJWHE-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(Cl)c(Cl)c1 7737333 VYTIFZCBASFWQZ-CQSZACIVSA-N 318.200 4.213 0 40 DIAB Cc1cnc(NC(=O)c2sccc2-c2ccccc2)s1 8745193 HNFZPESXWZHKBP-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB O=C(Nc1ccccc1Cl)c1ccc(NC(=O)C2CC2)s1 8752569 DWARBENUMQBHQM-UHFFFAOYSA-N 320.801 4.002 0 40 DIAB Cc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 9549106 UVCWCXHGFKCDJW-NBOOPKSLSA-N 302.462 4.126 0 40 DIAB C[C@H](CC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1 11506163 MIIQXRBCWIFKGW-CYBMUJFWSA-N 319.351 4.098 0 40 DIAB Cc1cccc(Nc2ccccc2C(=O)Nc2ccn(C)n2)c1C 12545220 IXVIPWNYLACBIZ-UHFFFAOYSA-N 320.396 4.033 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1C(C)C 13858132 MYSSUHGXYHNWTF-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB O=C(CSC12CC3CC(CC(C3)C1)C2)Nc1cccc(F)c1 18758670 HFRGRAYYGJRTPM-UHFFFAOYSA-N 319.445 4.466 0 40 DIAB C[C@@H](Nc1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 28907651 YWBXWLFGWKEXJC-CYBMUJFWSA-N 308.356 4.418 0 40 DIAB C[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 40120523 GRZHFTZCQTTWGU-LLVKDONJSA-N 306.312 4.171 0 40 DIAB O=C(NCc1cccc(COc2ccccc2)c1)C1CCCCC1 40157000 FMFOFFWOWXNPEJ-UHFFFAOYSA-N 323.436 4.462 0 40 DIAB C[C@@H](NCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 58164006 RFEYJAUQEFHKPM-OAHLLOKOSA-N 310.441 4.101 0 40 DIAB Cc1ccccc1-c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890663 KYJXULSTKJGXER-UHFFFAOYSA-N 318.336 4.126 0 40 DIAB Cc1ccc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 79440747 ZRTYSXVWVRHYMK-CQSZACIVSA-N 322.474 4.129 0 40 DIAB Cc1cc(NC[C@H](c2cccs2)N(C)C)c2ccccc2n1 89583135 FDFUWNDKEQDKRQ-QGZVFWFLSA-N 311.454 4.320 0 40 DIAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccccc1Oc1ccccc1 101209892 WOBIHONMGPBCLR-IYBDPMFKSA-N 321.376 4.159 0 40 DIAB C[C@]12C[C@@H](c3ccccc3Br)N[C@H]1CCCCC2=O 218903378 MJRDMYKOVRQYLA-DZKIICNBSA-N 322.246 4.002 0 40 DIAB biogenic COC(=O)c1ccc(Cc2ccc(C)cc2)n1Cc1ccccc1 226029879 GLEXLCOOBYIZCN-UHFFFAOYSA-N 319.404 4.222 0 40 DIAB CO[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1ccccc1F 1615083482 AYGFYWWLPNXGKW-VQIMIIECSA-N 305.437 4.038 0 40 DIAB Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1 252273 AAFKGCALDKMLQO-HNNXBMFYSA-N 319.408 4.009 0 40 DIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1 523507 ZPTUGBKZXNNZRX-UHFFFAOYSA-N 321.376 4.329 0 40 DIAB Cc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)c1 4038772 PZTHQMPLDZTMQC-UHFFFAOYSA-N 320.388 4.478 0 40 DIAB Cc1ccc2[nH]c(C(=O)NCCc3ccc(Cl)cc3)cc2c1 4696072 HIMWFCUWWPPOAF-UHFFFAOYSA-N 312.800 4.102 0 40 DIAB Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(CC(C)C)cc2)cc1 6785494 CFOAZCLJQLEJMF-KRWDZBQOSA-N 324.468 4.483 0 40 DIAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 6879823 YOZNYFHNZVLWET-DZGCQCFKSA-N 312.438 4.316 0 40 DIAB CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1 7037296 UKDOSUQHWVKQBK-INIZCTEOSA-N 303.789 4.230 0 40 DIAB Cc1cnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 7983081 WJNOPFRZPKBLHR-UHFFFAOYSA-N 301.293 4.114 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@H]21 8345360 HLBRRMINASZWTQ-ODRPYRSTSA-N 310.397 4.022 0 40 DIAB CCC[C@@H](C)C(=O)Nc1ccccc1S[C@H](CCC)C(=O)O 8732912 SJRJJGPRDPECAE-IUODEOHRSA-N 323.458 4.407 0 40 DIAB CCCCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)O 8732934 SVOXTHGBFRQQQE-GFCCVEGCSA-N 309.431 4.161 0 40 DIAB C[C@H](c1ccccc1Cl)N1C(=O)NC2(CCCCCC2)C1=O 8882257 OCIMFUDBPASIMF-GFCCVEGCSA-N 320.820 4.046 0 40 DIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 10434311 VXIDTVQZISFGCM-UHFFFAOYSA-N 308.425 4.152 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)no2)cc1 11915166 VLGFANZKRHHNBI-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB O=C(NCc1c(F)cccc1F)C1(c2cccs2)CCCC1 12157794 SRCYELBIMPBINF-UHFFFAOYSA-N 321.392 4.155 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccccc1 12817000 UBWGEVSECUQPIP-UHFFFAOYSA-N 316.404 4.329 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)C1(c2ccccc2)CCCC1 13169925 QAKWMFQTDGHLBM-UHFFFAOYSA-N 323.392 4.144 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c(C)c1 16316027 FFAPLHUCZPWLAS-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1ccc(-c2csc(=S)n2CC(=O)NCC(C)C)cc1 17129296 QVQRFQBKRUGOII-UHFFFAOYSA-N 320.483 4.027 0 40 DIAB CCc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 19927352 XHWUWAGKYIOKNU-KRWDZBQOSA-N 301.386 4.167 0 40 DIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2ccccc2[nH]1 23764952 LRWYLJYCWBVXMA-NSHDSACASA-N 314.335 4.279 0 40 DIAB Cc1cc(C(=O)N(C)c2ccccc2)c(C)n1Cc1ccccc1 27027919 DVPNOSPPAJUAFR-UHFFFAOYSA-N 318.420 4.430 0 40 DIAB COc1ccc(C(C)=O)c2c(OC(=O)c3ccccc3)cccc12 30822780 KHRSLUNXARRAOS-UHFFFAOYSA-N 320.344 4.270 0 40 DIAB O=C(c1cnc(-c2ccccc2)s1)N1CCc2ccccc2C1 32930049 SAWFMWKZJGVLKW-UHFFFAOYSA-N 320.417 4.009 0 40 DIAB CN(C(=O)Nc1cccc(Br)c1)C1CCCCC1 40095245 RXRRJBRNCOKOHN-UHFFFAOYSA-N 311.223 4.246 0 40 DIAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccnc1 40145400 QTJUGVJQMGYHOW-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB Cc1nc(N(C)Cc2ccccc2)ccc1[C@H](O)c1ccccc1 72224441 PBZTXQJEVDMURR-OAQYLSRUSA-N 318.420 4.108 0 40 DIAB Fc1ccc(C2(CNc3ncccc3Cl)CCOCC2)cc1 88702970 BCSHSPBPHXRCKX-UHFFFAOYSA-N 320.795 4.034 0 40 DIAB CS[C@@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)o2)C1 97002170 ADFHLPFLLVWNQB-GDBMZVCRSA-N 302.443 4.105 0 40 DIAB CCN1C(=O)[C@H](Cc2oc3ccccc3c2C)c2ccccc21 101015082 QIZMKHOPEYVOAR-MRXNPFEDSA-N 305.377 4.434 0 40 DIAB COc1ccc([C@H](C)NC(=O)CCc2ccccc2Cl)cc1 220017024 GBVMJYNMYOQKDM-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB Cc1c(Cl)cnc(NC(=S)NC2CCCCC2)c1Cl 224037322 GYAIAVKXSUQEFU-UHFFFAOYSA-N 318.273 4.316 0 40 DIAB O=C(Cc1ccc(Cl)cc1F)N[C@@H]1CCCc2ccccc21 225540775 JYCUJRYXMAUKMD-QGZVFWFLSA-N 317.791 4.215 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1 225712765 JMVFRHZUAILXIF-KXBFYZLASA-N 319.445 4.399 0 40 DIAB CCC(C)(C)c1ccc(CN2CCC3(CC2)C[C@H]3C(=O)O)cc1 571888401 NOEZVTQAPQJGSO-KRWDZBQOSA-N 315.457 4.061 0 40 DIAB O=c1c(-c2ccc(Cl)cc2)c[nH]n1-c1cccc(Cl)c1 3133801 KKORPSPKPJBLEP-UHFFFAOYSA-N 305.164 4.139 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 3480028 VSURWGSBYFJFDG-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB C=C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881942 ILGPJZIKYMIGMU-SQDPYLFBSA-N 314.469 4.435 0 40 DIAB biogenic COc1ccccc1-c1ccc(SCc2ccccc2)nn1 4356121 XLBOLRVLCGGOCP-UHFFFAOYSA-N 308.406 4.445 0 40 DIAB O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCCN2CCCC[C@H]12 4577402 GRDMMPXVOYPCJQ-CZUORRHYSA-N 322.836 4.153 0 40 DIAB biogenic COc1ccc2c(CC(=O)Nc3ccc(Cl)cc3)coc2c1 5573211 SKGMHEHFTFBLOS-UHFFFAOYSA-N 315.756 4.276 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(F)c1 6216980 OMOXJVPAGZHPJY-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@@H]1C 6559273 SFXIUBLQLZXSLE-IOASZLSFSA-N 321.848 4.244 0 40 DIAB Cc1ccc(OCCC(=O)Nc2nc3ccccc3s2)cc1 6933593 MSVYNSJDDSYXRO-UHFFFAOYSA-N 312.394 4.012 0 40 DIAB CCCn1c(NC(=O)c2ccc(Cl)s2)nc2ccccc21 7738424 GHESQYLJFMZGII-UHFFFAOYSA-N 319.817 4.414 0 40 DIAB COc1cccc(NC(=O)Nc2ccc3nc(C)sc3c2)c1 11555819 XCCNUVWJXIWFTE-UHFFFAOYSA-N 313.382 4.257 0 40 DIAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)oc2ccc(F)cc12 12852318 YBYJPTVXMNGQNQ-UHFFFAOYSA-N 316.357 4.078 0 40 DIAB CC(C)c1ccc(CCNC(=O)c2cccc3cccnc23)cc1 13018592 DLJILGXXXYRUKR-UHFFFAOYSA-N 318.420 4.331 0 40 DIAB CCc1cccc(CC)c1NC(=S)Nc1ccc2cn[nH]c2c1 13878994 NIRAEDMQSDEMES-UHFFFAOYSA-N 324.453 4.497 0 40 DIAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)c(F)c1 15695671 WUILBENOYHMERB-VIFPVBQESA-N 318.348 4.066 0 40 DIAB C[C@@H]1CCc2ccccc2N1Cc1nc(-c2cccs2)no1 21581587 KJOALMACBACRSU-GFCCVEGCSA-N 311.410 4.139 0 40 DIAB Cc1ccccc1-n1ccnc1SCC(=O)c1ccccc1 26047043 PIXSJHGZMSBKSO-UHFFFAOYSA-N 308.406 4.156 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)cc3C)cc2c1 30680249 REMIYORAJMCUDZ-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2c(C)noc2C(C)C)cc1 31914694 KPRKZGROJKMQJQ-UHFFFAOYSA-N 315.417 4.205 0 40 DIAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 33328032 AJNRIUNXAWYSJE-ZSOIEALJSA-N 319.282 4.207 0 40 DIAB C/C=C/C=C/CCc1c(O)cc(CC=C(C)C)c(O)c1C=O 34277933 ZNSOEVHEUKFQSM-YTXTXJHMSA-N 300.398 4.484 0 40 DIAB biogenic,in-vitro CCC[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1 40025795 TZTVNBORIGDXES-LJQANCHMSA-N 318.420 4.435 0 40 DIAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1 40074322 DTTITSWZQKFETK-NEPJUHHUSA-N 313.319 4.119 0 40 DIAB Cc1cc2ncn(Cc3noc(-c4ccccc4C)n3)c2cc1C 41146277 LXSHVRMFJZXOTK-UHFFFAOYSA-N 318.380 4.060 0 40 DIAB O=C(/C=C/c1ccco1)Nc1cccnc1Oc1ccccc1 47890362 SNJFJMDPOWIBAX-ZHACJKMWSA-N 306.321 4.119 0 40 DIAB COCc1ccccc1C(=O)Nc1cc(F)ccc1OC(C)C 66433221 SOYFBYMOGOZGQV-UHFFFAOYSA-N 317.360 4.012 0 40 DIAB CC(C)c1ocnc1C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 71914786 CJVFTAGVWXQANP-LBPRGKRZSA-N 320.820 4.155 0 40 DIAB O=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1 75172185 CUEDUVPWOMMZFN-UHFFFAOYSA-N 324.315 4.052 0 40 DIAB CCC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 84740749 OHAUUBUSZQBRKN-ZDUSSCGKSA-N 317.458 4.181 0 40 DIAB Cc1nc(C)c(CNc2ccc(SCCN(C)C)cc2)s1 95429116 NRQFGVWBWPXLFH-UHFFFAOYSA-N 321.515 4.026 0 40 DIAB CC(C)Sc1nnc(NC(=O)c2cc3ccccc3o2)s1 222690317 JQJMGSUWOVQGCX-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB CCCNC(=O)c1ccc(Nc2ccc(Cl)cc2C)c(N)c1 225426077 LUVNEJWGPNLFOM-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB Fc1ccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)cc1 226307553 QRMLZGICOVZZGX-UHFFFAOYSA-N 321.400 4.438 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C 226724049 ZOHVSEXZWRMRLF-XLAORIBOSA-N 319.489 4.203 0 40 DIAB CC1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CC1 257212500 CDSJGQPIENFWRQ-UHFFFAOYSA-N 309.409 4.284 0 40 DIAB CC1(C)OB(c2ccc(-c3cccc(Cl)c3)cc2)OC1(C)C 309638628 AYJZJTISYWGXQT-UHFFFAOYSA-N 314.621 4.306 0 40 DIAB Cc1cnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1 367759021 SQHUKHJUANONKD-UHFFFAOYSA-N 317.389 4.116 0 40 DIAB Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CCCC1 591240775 YMPKXCNKZUBHDK-UHFFFAOYSA-N 314.816 4.494 0 40 DIAB Cc1cc(C(=O)NCc2cccnc2)sc1-c1ccccc1 1586997695 LFBDVJDHSRZTNJ-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB COc1ccc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)sc2c1 28442 PNGQTNOFXWGWDD-ZIAGYGMSSA-N 324.405 4.047 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 43133 OZKQNYGJCSBIFD-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2Cl)c(C)c1 364867 AWPBZBLYMAMSGP-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1ccc(C(=O)COC(=O)c2cccc3ccccc23)cc1C 453630 XBRKPRPYHCCPJL-UHFFFAOYSA-N 318.372 4.496 0 40 DIAB Cc1ccc(S[C@H]2CCS(=O)(=O)c3sccc32)cc1 1398496 MISSRLDOAHKKIV-ZDUSSCGKSA-N 310.465 4.067 0 40 DIAB O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCCCC1 2515532 XDLNBUNIWMBRHL-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB O=C(/C=C/c1ccco1)Oc1ccc(C(=O)c2ccccc2)cc1 3449511 XYZMXRVINRLQQE-OUKQBFOZSA-N 318.328 4.129 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccc2ncsc2c1 4224210 KRGOWTPLVIILIR-UHFFFAOYSA-N 311.391 4.158 0 40 DIAB COc1ccc2c3c(c(=O)oc2c1OCC=C(C)C)CCCC3 4387904 YLYFXMRIQFDYOZ-UHFFFAOYSA-N 314.381 4.025 0 40 DIAB biogenic CSc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 4517586 ZYPVTMOYWAAFQM-JTQLQIEISA-N 318.467 4.242 0 40 DIAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H](C)C1(C)O 4555395 XDCSRNLDRQBFAD-CLRGLAINSA-N 309.453 4.438 0 40 DIAB Cc1c2c(nn1-c1nc(-c3ccc(F)cc3)cs1)CCCC2 5274967 DVPZPWNNFJGFMV-UHFFFAOYSA-N 313.401 4.322 0 40 DIAB Cc1n[nH]c(NC(=S)Nc2ccccc2)c1-c1ccccc1 5387169 YGWQBEIOYFSLRU-UHFFFAOYSA-N 308.410 4.194 0 40 DIAB Cc1nnc(-c2ccccc2)c2cn(-c3ccc(Cl)cc3)nc12 5792660 PWUHTKASVHDMBY-UHFFFAOYSA-N 320.783 4.444 0 40 DIAB O[C@H](CN1CCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 6524383 VRUWHHYSJYBMSU-GFCCVEGCSA-N 308.636 4.166 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 8084578 UNSSPXXIXJKWRM-ZDUSSCGKSA-N 319.857 4.180 0 40 DIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cnn(-c2ccccc2)c1 8198700 KOEPWIMMQBHAQC-LZYBPNLTSA-N 321.767 4.018 0 40 DIAB OCCSc1ncnc2cc(-c3ccc(Cl)cc3)sc12 8326992 ZQKTZQWECHGPCT-UHFFFAOYSA-N 322.842 4.096 0 40 DIAB CC(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 10335133 RREHCNYFWKBANX-UHFFFAOYSA-N 311.381 4.110 0 40 DIAB CN(C(=O)c1cc(Cl)ccc1F)[C@@H]1CCc2ccccc21 12773579 IJOTYTBUZBTTGH-MRXNPFEDSA-N 303.764 4.239 0 40 DIAB CCCCNC(=O)c1ccccc1SCc1c(C)noc1C 13007186 CARLIOUJMDMBFC-UHFFFAOYSA-N 318.442 4.114 0 40 DIAB COc1ccc2cc(CN3C[C@@H](C)C[C@H](C)C3)c(Cl)nc2c1 13018512 VYRKDMBDQWARKI-STQMWFEESA-N 318.848 4.375 0 40 DIAB COc1ccc2cc(CN3C[C@@H](C)C[C@@H](C)C3)c(Cl)nc2c1 13018514 VYRKDMBDQWARKI-BETUJISGSA-N 318.848 4.375 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 13709598 BGAPAGWBDXHKRT-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@@H]2[C@H]1c1ccco1 17173049 XCUSOXGYBWDEPN-DPJPQZSBSA-N 324.380 4.262 0 40 DIAB O=C(Nc1cccc(F)c1)c1cccnc1NCc1ccccc1 20507341 GGSQTTRTZBXBBP-UHFFFAOYSA-N 321.355 4.085 0 40 DIAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 20632729 FZRBRXZGJMXJRK-HNNXBMFYSA-N 320.367 4.233 0 40 DIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccs1 25283415 IQEOLXJJNDOIQC-KRWDZBQOSA-N 307.418 4.462 0 40 DIAB COc1ccc(SCCC(=O)N[C@H](C)c2ccccc2)cc1 27026693 JFVIKBJOMKUBMN-CQSZACIVSA-N 315.438 4.055 0 40 DIAB CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 27818105 NKTMUSDHBRJZNO-MRXNPFEDSA-N 319.326 4.465 0 40 DIAB O=C(c1cc2c(s1)CCCC2)N1CC[C@@H]2CCCC[C@H]2C1 32748039 JIACQZCFJQTGKL-ZFWWWQNUSA-N 303.471 4.279 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)cc1 40162139 ARPZOHOTHKVSBR-UHFFFAOYSA-N 309.818 4.072 0 40 DIAB COc1c(C)cc(C(=O)c2ccccc2Br)cc1C 43210140 NDZWXFRNWVFEOU-UHFFFAOYSA-N 319.198 4.306 0 40 DIAB CSc1nc2ncnc(Oc3ccc(C)c(C)c3)c2s1 58142633 INRIITUHPMGPJU-UHFFFAOYSA-N 303.412 4.217 0 40 DIAB Cc1cc(N[C@H](C)CCc2ccccc2)nc(-c2ccncc2)n1 60217756 QYWSQEGMIBJDLC-OAHLLOKOSA-N 318.424 4.280 0 40 DIAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1Cl 72331679 HUXSIWYHXAOHGN-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB NCc1ccc(Oc2ccc(F)c(F)c2)cc1C(F)(F)F 90225590 NWBDORDTENRHDP-UHFFFAOYSA-N 303.230 4.235 0 40 DIAB in-vitro O=C(O)CC1(CC(=O)c2ccc(F)c(Cl)c2)CCCCC1 95634005 FSISYCLGVJBDPJ-UHFFFAOYSA-N 312.768 4.477 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c1 222578982 QXEGJXJRUIIPSW-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB O=C(CCc1ccc(F)cc1)NCc1cccc2ccccc12 222895571 LDNLTAIUOVIVCQ-UHFFFAOYSA-N 307.368 4.228 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 226236210 PFGXFPXLVXWDNU-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB O=C(COCc1ccccc1)c1ccc(F)cc1C(F)(F)F 394741992 WVZCXTJDTZWPAO-UHFFFAOYSA-N 312.262 4.244 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 575361516 NZKRAXIVKBJZQI-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB Cc1cccc(-c2nn3c(CSC(C)(C)C)nnc3s2)c1 1501040241 ICUNHNBUXZYCJO-UHFFFAOYSA-N 318.471 4.193 0 40 DIAB CC(C)(C)c1ccc(OC(=O)c2ccc3snnc3c2)cc1 205161 DCSIHVGHHJVPTQ-UHFFFAOYSA-N 312.394 4.208 0 40 DIAB aggregator CCCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 1283313 QKFHQGJMBUXWDZ-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1CCCCC1 3220084 AWUIAYNQLHMDRX-PVAVHDDUSA-N 324.461 4.114 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881899 GCKMFJBGXUYNAG-MILMJNAHSA-N 302.458 4.269 0 40 DIAB biogenic C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 4656231 AKWJJXNUHUZOCZ-GJXPDMNVSA-N 324.449 4.068 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncs1 5101197 MAEJDPQMDDWQTO-MNOVXSKESA-N 321.471 4.171 0 40 DIAB O=C(Cc1ccccc1F)Nc1nc2ccc(Cl)cc2s1 5512828 OCQIKTYFZLYVAJ-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB C[C@H](NC(=O)Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5788063 CWNTVQMMIMXVDM-IHWZXDPASA-N 303.471 4.012 0 40 DIAB CC(C)Oc1ccc(-c2cn3nc(C(C)C)sc3n2)cc1 7994985 PKDZGOQUDHFUDR-UHFFFAOYSA-N 301.415 4.368 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 13617626 ADBLCXKVLSFZLV-FVEFGIFQSA-N 315.363 4.192 0 40 DIAB COc1ccc(NC(=S)NC2CCCCCCC2)c(OC)c1 13818552 WSZSXARKWARJSX-UHFFFAOYSA-N 322.474 4.103 0 40 DIAB CC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 15512659 IACYFANFRAAZIA-UHFFFAOYSA-N 320.845 4.336 0 40 DIAB Cc1nc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2o1 18173796 VVYBYKQOLAIPGR-UHFFFAOYSA-N 301.733 4.434 0 40 DIAB CCc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 19927346 OPKIYCXJJMKCCW-KRWDZBQOSA-N 301.386 4.167 0 40 DIAB Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl 20193918 PKQAXRFZNQSQMC-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 20493632 CAIZVDNGTOPRNM-INIZCTEOSA-N 311.425 4.375 0 40 DIAB O=C(Nc1nc2ccccc2s1)[C@H]1CCCc2ccccc21 24759505 JXZXSWHOONVKGM-AWEZNQCLSA-N 308.406 4.355 0 40 DIAB CCc1cc2oc(=O)cc(CN3CCCC[C@@H]3C)c2cc1Cl 32652308 OBMVSYKIKVNXGQ-LBPRGKRZSA-N 319.832 4.383 0 40 DIAB Cc1ccc(CN2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 35446572 ONQXLFYHRWSFPY-KRWDZBQOSA-N 305.425 4.169 0 40 DIAB biogenic,in-vitro O=C(Nc1ccc2[nH]ccc2c1)c1cccc(-n2cccc2)c1 36359574 VQZCMFCGFSOFKR-UHFFFAOYSA-N 301.349 4.211 0 40 DIAB CN(C(=O)c1cc(F)ccc1F)[C@H]1CCCc2ccccc21 39976100 LIHPYKJJQQBBGW-KRWDZBQOSA-N 301.336 4.114 0 40 DIAB COc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1Cl 40023902 AIPTUJWXFWXJMO-VIFPVBQESA-N 310.806 4.293 0 40 DIAB CCOc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3C)sc2C)cc1 40159996 BQYLIENQHPLNMC-HZMBPMFUSA-N 316.426 4.112 0 40 DIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1 67791535 OAKPWFWTFRFLRH-UHFFFAOYSA-N 314.816 4.121 0 40 DIAB CC(C)n1ccnc1CN(C)Cc1ccc(C(F)(F)F)cc1 72271293 TZNIMNGTXDZVJN-UHFFFAOYSA-N 311.351 4.115 0 40 DIAB c1coc(-c2nc(SC[C@@H]3CCCO3)c3ccccc3n2)c1 72303366 GRQXMNMHFOJGQZ-LBPRGKRZSA-N 312.394 4.161 0 40 DIAB Cc1ccc2cccc(NC(=O)N(C)[C@H](C)c3ccncc3)c2n1 79350528 AUNQOCIHMZRRGI-CQSZACIVSA-N 320.396 4.163 0 40 DIAB Cc1cccc(CCCNC(=O)Nc2cccc(Cl)c2)c1 96702550 ZUGMBYOFPIVZGR-UHFFFAOYSA-N 302.805 4.403 0 40 DIAB Cc1ccc(-c2n[nH]cc2CNCC2(c3ccccc3)CC2)cc1 97287579 WFZBEAGBCIYDSH-UHFFFAOYSA-N 317.436 4.207 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1 98081471 OXMJNNNWMRVDBI-GGSKKDJASA-N 310.397 4.121 0 40 DIAB C[C@@H](NC(=O)N1C[C@@H]2CC[C@@H]1C2)c1ccc(-c2cccnc2)cc1 102698108 ZZZIYDDYQLELCB-SPYBWZPUSA-N 321.424 4.004 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Oc2ncccn2)cc1 106104879 PASPPHUGFMKICK-SOUVJXGZSA-N 323.396 4.034 0 40 DIAB O=c1oc2ccccc2cc1-c1ccc(Br)cc1F 216939438 PQLILIRCPUOARC-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 224603073 VMPOCYAPUXRCKA-IRXDYDNUSA-N 305.462 4.403 0 40 DIAB C[C@H](Cc1ccc(O)cc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 564144478 SDVZTRRLDBYRNX-JLTOFOAXSA-N 320.436 4.472 0 40 DIAB Cc1ccc2oc(-c3noc(/C=C/c4cncs4)n3)cc2c1 579285569 SCZVAAVKNKGKSB-HWKANZROSA-N 309.350 4.418 0 40 DIAB O=c1oc(-c2ccc(F)cc2)nc2c(Cl)cc(Cl)cc12 41108 SBEGVBVTMXTHJK-UHFFFAOYSA-N 310.111 4.301 0 40 DIAB COc1ccc(-c2c(C)c3cc(C)ccc3oc2=O)cc1OC 57807 FPYKPEWTFBEKJJ-UHFFFAOYSA-N 310.349 4.094 0 40 DIAB biogenic CCc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 1312183 KPVCVXFDRCGKSF-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB CCCCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 1595258 OYNSFIYSFXQMAX-FQEVSTJZSA-N 313.441 4.377 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2cccc(-c3ccccc3)c2)cc1 1621433 UVPFBSQVOUHMCJ-UHFFFAOYSA-N 324.401 4.430 0 40 DIAB Cc1cc(C)c2oc(-c3ccc(Br)o3)cc(=O)c2c1 1788342 MXHFQDUAOZHARI-UHFFFAOYSA-N 319.154 4.432 0 40 DIAB Cc1cc2c(SCC(=O)c3ccc(F)cc3)ncnc2s1 5017185 IRKARAYFDQHVBK-UHFFFAOYSA-N 318.398 4.114 0 40 DIAB C[C@@H](NC1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 5254750 ZNSMSWDLNQNJIQ-UZLBHIALSA-N 323.436 4.274 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 5476792 PNRLPVRXLBDAFX-RCBQFDQVSA-N 303.402 4.030 0 40 DIAB O=C(Nc1n[nH]c2cc(Cl)ccc12)c1cccc(Cl)c1 5613685 JICLIKCVSDSJAI-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2ccnn12 6473185 MCEMRZSRPLAXLJ-UHFFFAOYSA-N 303.696 4.130 0 40 DIAB CCc1cccc(NC(=O)c2oc3ccccc3c2COC)c1 7344530 AMUVDJBBADOFBA-UHFFFAOYSA-N 309.365 4.394 0 40 DIAB Cc1cc(COC(=O)c2ccc(-c3ccc(F)cc3)s2)no1 7938653 HBQMHQVYOPGYFK-UHFFFAOYSA-N 317.341 4.208 0 40 DIAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 8324464 HRPJFAXVXLKEGQ-UHFFFAOYSA-N 323.801 4.219 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1F 11916794 XBKWPIKOLSBSND-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CC(C)C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1 12730523 OEYZXKUCFXBSMT-QGZVFWFLSA-N 307.397 4.080 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(C)c1 13670629 WXFRBXNAVIIGFP-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CC(C)(C)c1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 14793873 IODHWUNRKJZOHA-UHFFFAOYSA-N 313.426 4.103 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 17064511 MIXMMVNRIACFRL-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(C)cc1 19934690 OTTAMCFFNNQQQH-LJQANCHMSA-N 311.425 4.086 0 40 DIAB C[C@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 20572136 NLNDFTAZKRKAEJ-VIFPVBQESA-N 324.302 4.071 0 40 DIAB CCCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C 22245459 JFIDSBLUSZSODI-UHFFFAOYSA-N 317.458 4.139 0 40 DIAB COc1ccc(CN[C@@H](C)c2cc3cccc(OC)c3o2)cc1 28925816 GVLVXFBDZXTPIS-ZDUSSCGKSA-N 311.381 4.301 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 32800799 RSFAOOUUSSCAIX-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB Cc1cccc(C)c1OCCC(=O)N[C@@H](C)c1cccs1 32816160 CAWIEBHDXONJAR-AWEZNQCLSA-N 303.427 4.011 0 40 DIAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1Cc1ccccc1 35026120 UBYJCOQOPFVSFQ-MMBKUXRPSA-N 313.400 4.495 0 40 DIAB FC(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1 36612875 KFNZXVXLQYUAPF-UHFFFAOYSA-N 301.296 4.286 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccco1)c1ccccc1OC(F)F 40090587 LZSVUGRQWUNKGS-ATWMFIQVSA-N 321.323 4.162 0 40 DIAB CC(=O)Nc1ccc(CN[C@H](c2ccccc2)C2CCC2)cc1 71857539 ZQNVCORGIAEWBY-HXUWFJFHSA-N 308.425 4.276 0 40 DIAB Cc1ccc(CN(C(=O)N[C@@H](C)c2ncc(C)s2)C(C)C)o1 79081405 MFTZNSALGYUHEM-ZDUSSCGKSA-N 321.446 4.034 0 40 DIAB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1 100482567 OOYHPPVVTBTTKJ-YUELXQCFSA-N 312.438 4.493 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCCC[C@@H]1C 216866699 SWYFPYSFNCHKLZ-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB Cc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 224135479 GOQVATUIHTWIQM-UHFFFAOYSA-N 321.464 4.327 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCC1=CCCCC1 224420863 GGECGNLPPURJKX-OAHLLOKOSA-N 301.430 4.194 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2ccc(C)cc2C)cc1 225056587 AZQULMOJPLDPRE-UHFFFAOYSA-N 310.441 4.398 0 40 DIAB Cc1cccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)c1 409205839 GEVBDPPNKNETPU-VXPUYCOJSA-N 322.433 4.112 0 40 DIAB COC(=O)c1cc(OCc2ccccc2)c2[nH]c(C)c(C)c2c1 2362797577 KJHIXOPTIPQIHX-UHFFFAOYSA-N 309.365 4.150 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 341399 HDNRRPCKROKAFT-UHFFFAOYSA-N 322.364 4.260 0 40 DIAB CC1CCN(c2ccccc2NC(=O)c2ccccc2F)CC1 558448 IITSSFGWLXEESP-UHFFFAOYSA-N 312.388 4.314 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)c(F)cc1Cl 3305495 RMYLPBXYSNSHDA-VIFPVBQESA-N 307.727 4.210 0 40 DIAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 3449478 BLIXBYJKMSRCPI-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB O=C(Nc1nc2c(s1)COc1ccccc1-2)C1CCCCC1 4224084 LRFVZZXDBFXVQG-UHFFFAOYSA-N 314.410 4.221 0 40 DIAB Fc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 4315282 WJBZWXBJWOBKNE-UHFFFAOYSA-N 309.388 4.082 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5865156 LLNFAQMVXHXLIV-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 6411824 PSWCBSBDTUQQIX-HMXCVIKNSA-N 311.469 4.164 0 40 DIAB O=C(/C=C/c1ccco1)Nc1ccc(OC(F)F)c(Cl)c1 6889215 VRJWUSJGNHYMNL-GQCTYLIASA-N 313.687 4.186 0 40 DIAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 7828482 MBVBXHBTWCMJRQ-UHFFFAOYSA-N 324.468 4.075 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CC1 7842998 RPPYQCFIWDIILV-UHFFFAOYSA-N 321.298 4.256 0 40 DIAB CN1C(=O)Cc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21 8296707 XUMSORNLILACRK-UHFFFAOYSA-N 324.380 4.135 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1sc(C)nc1C 8392896 AWJQKFICMYBPTE-UHFFFAOYSA-N 318.442 4.318 0 40 DIAB CC(C)n1nccc1NC(=O)c1cc2c(F)cccc2s1 9534845 NHQMNRLDDAAZOB-UHFFFAOYSA-N 303.362 4.070 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nnsc2c1 11692758 PBJMODCJGDILOD-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB Cc1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 12618381 XQNQKPTXHADDEC-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CC(C)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 13789317 VUJWFZPDVKNJCK-UHFFFAOYSA-N 314.410 4.348 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 14410646 GPFVBJYXFRIOFB-BWPNAZKDSA-N 316.441 4.396 0 40 DIAB biogenic,in-vitro Cc1cc(C)c(NC(=O)c2cn3c(C)cccc3n2)c(Cl)c1 14669290 UJQKOTXDZOKTIQ-UHFFFAOYSA-N 313.788 4.165 0 40 DIAB COc1cc(CO)cc(Cl)c1OCc1ccccc1Cl 17052264 DRMSXYSLRFPEAP-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB CN(Cc1ccsc1)C(=O)c1cc2c(F)cccc2s1 21935602 ASSVLFZKTWULOL-UHFFFAOYSA-N 305.399 4.374 0 40 DIAB O=C(/C=C/c1cccc(Cl)c1)Nc1nc(C2CC2)cs1 26049611 VYDNPYBFCPWYQN-QPJJXVBHSA-N 304.802 4.326 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 30758806 ZXEWUXNCQWQYSV-SJORKVTESA-N 311.425 4.257 0 40 DIAB C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 32037809 AXYSDGLHTLZLQI-WKEGUHRASA-N 312.649 4.163 0 40 DIAB O=C1Nc2cc(Cl)ccc2[C@@H]1Cc1cccc(OC(F)F)c1 40287149 GMNQENBNTYYQBX-ZDUSSCGKSA-N 323.726 4.220 0 40 DIAB C[C@@H](Nc1cc(F)cc(F)c1)c1nnc(-c2ccccc2)o1 40477344 VKEAWFZDSWRLIJ-SNVBAGLBSA-N 301.296 4.188 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1F 44845254 AUDTWYPAKKLGIW-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C 44847549 ZSKLUWPHIVGFJK-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB Fc1cc(CSc2ccc(Cl)nn2)c2ncccc2c1 46029408 WTUSWNJHXKWFCD-UHFFFAOYSA-N 305.765 4.110 0 40 DIAB O=C(CSCc1ccccc1)N1CCC[C@H]1c1ccccc1 48341511 SXDGMJRUBRCXRU-SFHVURJKSA-N 311.450 4.284 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c(N)c1 70462829 VYGRPFJBZZODIS-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CCCCNc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72213605 FZFAJAZWRQIKBD-SFHVURJKSA-N 323.440 4.271 0 40 DIAB N[C@@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 72225419 GRRLESCGPBYOLD-IBGZPJMESA-N 306.434 4.422 0 40 DIAB FC(F)Oc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 72311935 QCCXZFQUMZGMEA-INIZCTEOSA-N 304.340 4.020 0 40 DIAB CCc1nc(CC(=O)Nc2c(C)cc(Cl)cc2C)cs1 89289914 BTLMNEPIQHQWQH-UHFFFAOYSA-N 308.834 4.157 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CSc3ccccc32)c1 95419640 ULRGCDJWYHJUOE-SJKOYZFVSA-N 312.438 4.143 0 40 DIAB C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2 95450960 QQUIADPCFWZFLX-UWVGGRQHSA-N 308.397 4.322 0 40 DIAB C[C@H](NCc1ccccc1Sc1ccccc1)c1cnccn1 95967816 CERGTOGEVREICM-HNNXBMFYSA-N 321.449 4.479 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(OC)c1 113951347 XACDENOFCPGHDR-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223245428 QOODTYAHTGIXIH-INIZCTEOSA-N 323.436 4.048 0 40 DIAB Cc1ccc(C)c(C(=O)NCCCc2ccc(Cl)cc2)c1 225293203 QDPWWZAMTMCMGT-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(C)cn1)c1ccc(C)c(C)c1 225712652 OKMKAHUTQULBLS-INIZCTEOSA-N 313.470 4.445 0 40 DIAB Cc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)nc1 225762458 IGYQWBKVCWCMSC-KRWDZBQOSA-N 313.470 4.382 0 40 DIAB Cc1cc(N)c(NC(=O)c2cccc(OC(C)C)c2)cc1Cl 226349437 BLBBNEUIHYOKHF-UHFFFAOYSA-N 318.804 4.270 0 40 DIAB COc1ccc(C(=O)CCc2ccc(F)c(Cl)c2)cc1F 228932151 RHZSDZHHDFNTGV-UHFFFAOYSA-N 310.727 4.442 0 40 DIAB COc1ccc(CCNC(=S)c2cccc3ccccc23)cc1 408575204 SOUVQWOWGXSKSH-UHFFFAOYSA-N 321.445 4.356 0 40 DIAB Cn1c(SC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 408645728 ANJXASQAYPCBII-UHFFFAOYSA-N 316.813 4.088 0 40 DIAB CC(C)CN1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 585182392 GZDBYDFKBAOWAT-QGZVFWFLSA-N 302.393 4.197 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)c1cccc2ccccc12 567875 IVHFHFGGYUOTIE-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB Cc1nc(N2CCC(C)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1465795 PVGYHDJWLLZJJH-LBPRGKRZSA-N 315.486 4.361 0 40 DIAB CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1 1563973 ULJXJASKIKRWKU-UHFFFAOYSA-N 319.430 4.245 0 40 DIAB COc1ccc(-c2csc3nc(C)nc(Cl)c23)cc1OC 3330528 ROZKFGBUYNZHEX-UHFFFAOYSA-N 320.801 4.337 0 40 DIAB Cc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(C)c1 6550731 JRJNZRDYZOXMCQ-UHFFFAOYSA-N 303.402 4.057 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7957221 KYBOSKQJQLPZRO-DOMZBBRYSA-N 301.361 4.394 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)Cc1ccc(NC(C)=O)cc1 9366639 CWCZAUCJVJMYQN-AWEZNQCLSA-N 324.424 4.340 0 40 DIAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 11566297 DRJPBGGCOIZUGK-QZTJIDSGSA-N 305.377 4.033 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1 12536793 CWSDYZJXWMNURO-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C 15449348 VWAUPFMBXBWEQY-WOZUAGRISA-N 310.437 4.276 0 40 DIAB biogenic,in-man CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSC(C)(C)C 20047624 PYMYDRMHOAEKNF-HNNXBMFYSA-N 323.502 4.109 0 40 DIAB O=C(NCC1CCCCC1)c1ccc(C2SCCS2)cc1 23020679 QLNAYZILNVRNMO-UHFFFAOYSA-N 321.511 4.475 0 40 DIAB CC(=O)Nc1cccc(/N=c2\scc(C)n2C2CCCC2)c1 32772246 VUGVPHGWOWOFHQ-ZPHPHTNESA-N 315.442 4.164 0 40 DIAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)oc12 38757216 BPHXKLKCSHEDPY-LLVKDONJSA-N 313.328 4.072 0 40 DIAB CCOCCn1c(-c2ccc(Cl)cc2)nc2ccccc21 40249496 BXTWQPPWBAUTJU-UHFFFAOYSA-N 300.789 4.393 0 40 DIAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1Cl 70717894 FLBHJAQMGCHDLN-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB CN(Cc1ccncc1)C(=O)Nc1cccc(-c2ccsc2)c1 71862720 NZMSOTDFIIUNFH-UHFFFAOYSA-N 323.421 4.474 0 40 DIAB c1ccc2c3c(ccc2c1)[C@@H](NCc1ccncc1)CCCO3 84055896 YLOXFCYXNLHWGI-IBGZPJMESA-N 304.393 4.238 0 40 DIAB O=C1CCc2cc(NCc3cc4cc(F)ccc4o3)ccc2N1 89807641 RQEQVNUVWUETRL-UHFFFAOYSA-N 310.328 4.069 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2CC)cc1C 95459124 IQBAJFGSGWHSJZ-ZFWWWQNUSA-N 317.433 4.138 0 40 DIAB CCc1cccc(C)c1NC(=O)N(C[C@H](C)O)C1CCCCC1 95466991 NRURUMKSIANEQI-HNNXBMFYSA-N 318.461 4.105 0 40 DIAB COc1cccc2c1CC[C@@H]2N[C@@H](c1ncc(C)s1)C1CC1 95968577 GNKQOTINDNRGAV-DOTOQJQBSA-N 314.454 4.188 0 40 DIAB Cc1noc(-c2ccccc2)c1C(=O)N[C@@H]1CCCc2occc21 96011996 VRXGLLZLEAOWBL-OAHLLOKOSA-N 322.364 4.050 0 40 DIAB Cc1cc(=O)oc2c(C)c(O)c(-c3cc4cc(F)ccc4[nH]3)cc12 96343867 NXEMVDMHBAWIHL-UHFFFAOYSA-N 323.323 4.403 0 40 DIAB CCCC[C@H](CC)CN1CC(O)=C(c2nc(C)cs2)C1=N 102734190 AURZVRQJBIPUDB-LBPRGKRZSA-N 307.463 4.230 0 40 DIAB COc1cccc2sc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)nc12 107326321 XXHQXEMNIJEICA-SRVKXCTJSA-N 316.426 4.070 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195583839 QAPNWNUZRUXEPP-REVBEMBVSA-N 321.848 4.048 0 40 DIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)C1CCCCC1 222972264 UGFFWTPGACDWMV-NSHDSACASA-N 322.246 4.307 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923695 XTBRQGDFJAFNDV-MRXNPFEDSA-N 324.424 4.001 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(C)n1)c1ccc(C)c(C)c1 225712719 OGCBPYVQIOQICE-INIZCTEOSA-N 313.470 4.445 0 40 DIAB CCOc1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1 225848476 WJNVYIVNDWLJRN-UHFFFAOYSA-N 306.475 4.341 0 40 DIAB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)(F)Cl 575242898 VZVDNRQWUHFQRD-UHFFFAOYSA-N 314.690 4.419 0 40 DIAB O=C(Cc1ccccc1)c1ccccc1OC(F)(F)C(F)F 575360480 HPFXKYKHZCYDCY-UHFFFAOYSA-N 312.262 4.349 0 40 DIAB COc1cc(Cl)ccc1C(=O)c1cc(Cl)c(Cl)[nH]1 585672805 DUZQDOQZMZIUQK-UHFFFAOYSA-N 304.560 4.215 0 40 DIAB CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 130210 BIOLFVSCKKADAP-UHFFFAOYSA-N 307.349 4.169 0 40 DIAB CC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 213173 LMXJWHIMXNCRLH-UHFFFAOYSA-N 321.346 4.399 0 40 DIAB BrC12CC(CCC34CC(Br)(C3)C4)(C1)C2 374970 WAGINUXSYZUFMR-UHFFFAOYSA-N 320.068 4.402 0 40 DIAB O=C(Cc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 418047 PLFGTMMVDPQTPO-UHFFFAOYSA-N 320.417 4.090 0 40 DIAB CCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 498693 IGDDUZVBEMYMGJ-UHFFFAOYSA-N 315.760 4.023 0 40 DIAB CCN(CC)C(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C 2209691 WAROTAWKSWTWMZ-SFHVURJKSA-N 305.462 4.472 0 40 DIAB COc1ccc(CNC(=O)/C=C/c2ccc(CC(C)C)cc2)cc1 2383643 SSBVQOPDXYZDBH-JLHYYAGUSA-N 323.436 4.223 0 40 DIAB CCOc1ccccc1NC(=O)Cc1coc2cc(C)ccc12 3472567 GBITXDIVDCYZIF-UHFFFAOYSA-N 309.365 4.321 0 40 DIAB O=C(O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 4419154 ORQBOHAXFHNATG-XBXARRHUSA-N 306.720 4.156 0 40 DIAB CCOC(=O)c1ccc(Cl)c(NC(=O)CCC2CCCC2)c1 4659803 NBWUVHOQHWHCHF-UHFFFAOYSA-N 323.820 4.426 0 40 DIAB O=C(NC1CCCC1)c1cc2sccc2n1Cc1ccccc1 4970859 MQAPIUZBFDWGLO-UHFFFAOYSA-N 324.449 4.424 0 40 DIAB CCOc1ccccc1NC(=O)c1csc2c1CCCC2 5032557 RLEIEHHFVHKDRU-UHFFFAOYSA-N 301.411 4.278 0 40 DIAB CCCCN(CCCC)C(=O)/C=C/c1ccc(OC)c(OC)c1 5465334 XCZCCOFNBWAYIG-ZRDIBKRKSA-N 319.445 4.146 0 40 DIAB CCc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 6394724 CFSHLPCWZZRPSQ-UHFFFAOYSA-N 323.465 4.259 0 40 DIAB O=C1O[C@](Cc2ccccc2)(c2ccccc2)c2ccccc21 6575259 FIOFTNINTRQDRO-OAQYLSRUSA-N 300.357 4.343 0 40 DIAB CSc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 8704543 NESNUWZUYFLIOG-UHFFFAOYSA-N 308.406 4.452 0 40 DIAB C[C@H](Sc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1 12896636 YXSJEQJWDNIOPP-LBPRGKRZSA-N 313.401 4.475 0 40 DIAB C[C@@H](NC(=O)NCCc1cccs1)c1ccc(Cl)cc1 13001698 LUGXYBLNTKHIOM-LLVKDONJSA-N 308.834 4.004 0 40 DIAB COc1cc2c(cc1OC)C1=C(CC2)C2=CCCC(=O)[C@]2(C)CC1 16606221 JHTSRKVLYAWMIL-OAQYLSRUSA-N 324.420 4.493 0 40 DIAB CCc1ccccc1-n1c(=S)[nH]c2sc(C)c(C)c2c1=O 17054060 QCVFSMYGDITTJE-UHFFFAOYSA-N 316.451 4.289 0 40 DIAB COc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 17055157 BNJIMGBMVGVYMQ-UHFFFAOYSA-N 320.270 4.431 0 40 DIAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1F 18114304 OXGNXYNUCHZXDT-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@H]3CCCC[C@H]32)cc1 19557610 YGWJEVISINCSQM-ANULTFPQSA-N 322.452 4.152 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)Cc1ccccc1 30751131 IOCHIGQUAXOIIB-MRXNPFEDSA-N 311.425 4.236 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1cc2cc(F)ccc2[nH]1 32760150 KJFSJJNUPZATLC-UHFFFAOYSA-N 322.383 4.159 0 40 DIAB CC[C@@H]1CCCCN1Cc1cc(-c2ccccc2OC)no1 40024616 CICDZHYCOYFBDZ-CQSZACIVSA-N 300.402 4.115 0 40 DIAB C[C@@H](c1cccs1)N(C)C(=O)N[C@H](C)Cc1ccsc1 48858724 IHAIJKMJQWEICU-NEPJUHHUSA-N 308.472 4.143 0 40 DIAB COc1ccccc1-c1nnc(SCCc2cccs2)o1 69618843 IZBZXNVMRYKVJV-UHFFFAOYSA-N 318.423 4.142 0 40 DIAB Cc1csc([C@H]2CCCN(C(=O)CC3=CCCCC3)C2)n1 72298782 MKVVKWKSCPQCJT-HNNXBMFYSA-N 304.459 4.048 0 40 DIAB CC(C)CCN(C)C(=O)c1cccnc1Nc1cccc(F)c1 80425025 HSVNTEMFZITKAG-UHFFFAOYSA-N 315.392 4.082 0 40 DIAB Cc1nc([C@@H](C)NCc2ccc(OCC(C)C)cc2)cs1 84272047 LBIZULBQUVGLNG-CYBMUJFWSA-N 304.459 4.337 0 40 DIAB CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)CCN1CCc2ccccc2C1 104199515 MLTMAMPTDYDEJA-XKGZKEIXSA-N 311.469 4.076 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NC(C(C)C)C(C)C 113970596 LDPDWNNNSQIVJR-MRXNPFEDSA-N 305.462 4.258 0 40 DIAB C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 118927351 JGPUZUZZOULXJW-DDPQYADMSA-N 320.517 4.387 0 40 DIAB COc1cc(Br)c2[nH]c(-c3ccc(C)cc3)nc2c1 216912918 FOGNBLDRAGCUKV-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)cc1C 222763184 VEVNKQPOMJJTEL-IBGZPJMESA-N 311.425 4.258 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222994386 RMKOQKVSAFEVQC-INIZCTEOSA-N 323.436 4.130 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccccc1Cl 224254680 ZKBZFVUWLYUCFH-UHFFFAOYSA-N 315.844 4.410 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(C(C)C)cc1 225467391 SBOWTJKHCVFOTG-UHFFFAOYSA-N 311.429 4.276 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225691658 UIZRYEKQBZDVMV-KSSFIOAISA-N 307.434 4.398 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2cccs2)cc1 225703794 HOIXWSPTNYOTHK-KRWDZBQOSA-N 317.454 4.203 0 40 DIAB COc1cccc(CNC(=S)c2cccc3ccccc23)c1 408576885 YLMILBMLRQIALX-UHFFFAOYSA-N 307.418 4.314 0 40 DIAB CC(C)(C)Cc1nnc(NC(=O)CCC2CCCCC2)s1 249701 JPXANYFHAYTWNN-UHFFFAOYSA-N 309.479 4.426 0 40 DIAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1ccco1 378710 DTPYIXJNFSQTGQ-HNNXBMFYSA-N 324.311 4.003 0 40 DIAB Cc1nnc(C)c2c(C)n(-c3cccc4cccnc34)c(C)c12 551158 WIGQBWDXTHLXBF-UHFFFAOYSA-N 302.381 4.202 0 40 DIAB CC(C)(C)c1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1 1725438 IOOHLKGUAKACCB-BUHFOSPRSA-N 300.423 4.429 0 40 DIAB CCCC[C@@H](CC)C(=O)Nc1ccc(O)c(C(=O)OCCC)c1 2069846 NQHXFGMFIYMOGH-CYBMUJFWSA-N 321.417 4.114 0 40 DIAB CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1OC 2320532 FXOXYWZJQXUYJY-UHFFFAOYSA-N 322.408 4.127 0 40 DIAB CC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3479659 CDOBNKHSCRUSNU-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB Cc1ccc2nc(-c3cc4cc(Cl)ccc4oc3=O)[nH]c2c1 4386465 FPUUVXBNNBZRQP-UHFFFAOYSA-N 310.740 4.298 0 40 DIAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cc(C)cc12 6255363 CSUDPOZFAYFLSZ-UHFFFAOYSA-N 321.376 4.314 0 40 DIAB O=c1oc2ccccc2c(O)c1Sc1ccc(Cl)cc1 6557777 OVUHGQPLPRDIIM-UHFFFAOYSA-N 304.754 4.303 0 40 DIAB NC(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 7473686 HHUKCQHXRSZUCM-UHFFFAOYSA-N 322.408 4.086 0 40 DIAB Cc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 8003572 ZBUMOZIYFROUNE-LJQANCHMSA-N 314.404 4.060 0 40 DIAB O=C(Nc1ccccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 9366816 IFFAJLUBIHBOFI-INIZCTEOSA-N 324.359 4.071 0 40 DIAB CCOc1ccccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 11467630 AJIRTZBIWDRJLY-QGZVFWFLSA-N 313.422 4.049 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1Cl 12815347 UDBCRVGFTYBTQA-CQSZACIVSA-N 303.814 4.307 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1F 12943274 HSWSBRZTUAUGAB-KXPUMZMLSA-N 315.413 4.436 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2ccccc2Cl)c1 13674250 KEXWWNYHBQGYEV-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 13931351 LTHNQSQVUZCKQX-CQSZACIVSA-N 314.454 4.360 0 40 DIAB CCc1nnc(NC(=O)c2oc3ccc(Cl)cc3c2C)s1 18117212 RCMJRFCIIQUMFA-UHFFFAOYSA-N 321.789 4.061 0 40 DIAB CCC(=O)N1CCC[C@H]1c1cc(-c2ccc(OC)cc2)cc(C)n1 19691379 ABHFTIUWVCLNEN-IBGZPJMESA-N 324.424 4.139 0 40 DIAB CN(C)[C@@H](CNc1nc2ccccc2s1)c1ccsc1 26720263 YWCSZDSYOMSLSW-ZDUSSCGKSA-N 303.456 4.073 0 40 DIAB CCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21 27923310 PTMORIUIOVXTNV-UHFFFAOYSA-N 314.776 4.354 0 40 DIAB CCC(CC)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 28231264 SOKYMEIVSDUXTL-UHFFFAOYSA-N 317.408 4.062 0 40 DIAB Cc1cc(C)c2cc(C(=O)N(Cc3ccco3)C3CC3)[nH]c2c1 29270266 ZDGRLJICNPTKEM-UHFFFAOYSA-N 308.381 4.183 0 40 DIAB CCOC(=O)/C(=C\c1ccc(C)s1)c1nc2ccccc2[nH]1 32789542 ZFTAESJMXROHTI-RAXLEYEMSA-N 312.394 4.037 0 40 DIAB O=C(O)c1cccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1 33559119 NYCRZYQUFOLPAY-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB CSCc1csc(NC(=O)Nc2ccc(C)c(C)c2)n1 36662227 UGTOSXFIQRHGAQ-UHFFFAOYSA-N 307.444 4.267 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 36728909 QVJVOFSHNJEROW-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1cc(C)cc(COC(=O)Cc2coc(-c3ccccc3)n2)c1 36795013 JJMRHVFMSXGKNX-UHFFFAOYSA-N 321.376 4.244 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1Cl 48412825 LPQGGHLRQQVTKP-OAHLLOKOSA-N 306.192 4.411 0 40 DIAB Cc1ccc(NC(=O)c2nc(C(C)C)cs2)c2cccnc12 58109273 YUDQORJOVZWVAR-UHFFFAOYSA-N 311.410 4.375 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 59351264 BPFSOXIUFYLHRF-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB Cc1cccc2c1ccn2CC(=O)Nc1ccc2[nH]ccc2c1 62001425 IGSMFTBZGSNONX-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB biogenic C[C@H](C(=O)N1CCCC[C@H]1c1nccs1)c1cccc(F)c1 72297165 GCNBLAABFYCHKV-WFASDCNBSA-N 318.417 4.140 0 40 DIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2C2CC2)on1 72340358 NXTVSWDRCLRQNM-UHFFFAOYSA-N 324.359 4.069 0 40 DIAB Cc1nc(C)c(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)o1 95440386 OOUWKSWYLJSHPY-LLVKDONJSA-N 321.446 4.013 0 40 DIAB Cc1c(-c2ccc(F)cc2)nn2c(-c3ccccc3O)ccnc12 95478765 JOIOLQNCZHXKRE-UHFFFAOYSA-N 319.339 4.216 0 40 DIAB CCN(CC)C(=O)[C@H](Nc1cc(C)cc(C)c1)c1ccccc1 98081180 VKZIOYVSODMFQY-LJQANCHMSA-N 310.441 4.325 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC)cc2)cc1 113968887 MWOFKKYCBHZLEO-SFHVURJKSA-N 313.397 4.054 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NCCC2=CCCCC2)cc1 222879523 SDMPQPFKHZEUAQ-LJQANCHMSA-N 315.457 4.413 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1C 225033583 ISXRWQYQWOAFMB-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077229 KLWJRHPLYJVDDZ-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589232 DBXSWTHYEUBDJR-UHFFFAOYSA-N 310.608 4.174 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(F)c(F)c1 225753692 NGBWBLFTKCEUTD-LLVKDONJSA-N 306.381 4.321 0 40 DIAB CCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OC 408618858 HIMIJNOLRMVXCR-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB O=C1CCSc2nc(-c3ccccc3)c(-c3ccccc3)n21 258534 DMYBGSQZFDXKFQ-UHFFFAOYSA-N 306.390 4.353 0 40 DIAB CCCN(CCNc1cc(OC)cc2cccnc12)CC(C)C 1656152 ABZVEPNRBLRVIF-UHFFFAOYSA-N 315.461 4.023 0 40 DIAB Cc1ccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1C 3317984 ULZAPUIVUHPZCP-UHFFFAOYSA-N 321.376 4.133 0 40 DIAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(F)cc1 3614437 RLQYROREJCOKGN-JTQLQIEISA-N 322.177 4.079 0 40 DIAB COC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc(C)c1C 4570496 WYXHHZCQKSQXII-UHFFFAOYSA-N 317.410 4.021 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 5509975 WUJVVAGKONCGSP-CYBMUJFWSA-N 313.397 4.470 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 5512201 DFBNOGTUGUZXNM-UHFFFAOYSA-N 321.367 4.443 0 40 DIAB Cc1cc(-n2c(C)cc(CN[C@H](C)c3cccs3)c2C)no1 6651116 ISNDDXXZGCOJBA-CYBMUJFWSA-N 315.442 4.303 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2[C@H]2CCCC[C@@H]2C)cc1 6680788 CHCRBWOCGQHFCL-FZMZJTMJSA-N 303.431 4.367 0 40 DIAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 6879821 YOZNYFHNZVLWET-ZFWWWQNUSA-N 312.438 4.316 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)cc1 7037335 VZJYBRDEHRZFRJ-QPEODSHDSA-N 313.372 4.115 0 40 DIAB O=C(NCCSc1ccccc1)c1ccc(Cl)cc1F 7434544 YUSNQEDRMBSAAH-UHFFFAOYSA-N 309.793 4.001 0 40 DIAB CCc1ccc(OCCn2c([C@H](O)CC)nc3ccccc32)cc1 7547858 FSYLTZILMORDEW-LJQANCHMSA-N 324.424 4.121 0 40 DIAB Cc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 8330616 LMIFYIZMGPSTIJ-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB C[C@H]1CC2(C)C[C@@H](C)C1(COC(=O)Nc1ccccc1)CO2 12601494 SDCHRXKTPFRXAD-MWABVPJASA-N 303.402 4.076 0 40 DIAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccncc1 14085306 JDHDYFMNLPXFIT-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB CCCCc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 14242070 CKNIHXSUDDZVHZ-UHFFFAOYSA-N 324.424 4.437 0 40 DIAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 14254585 UHRNLJAEXDCHPC-UHFFFAOYSA-N 323.845 4.339 0 40 DIAB CCCOc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 15832134 DGXHQIFQSVBXBI-UHFFFAOYSA-N 316.426 4.063 0 40 DIAB Cc1cccc([C@@H]2CC(=O)c3cnn(-c4ccc(F)cc4)c3C2)c1 17055226 DZHSMABGZJPSIM-HNNXBMFYSA-N 320.367 4.233 0 40 DIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)cc2)on1 19120561 OPMPKZXDPVNBIV-WMLDXEAASA-N 304.821 4.137 0 40 DIAB COc1ccccc1CN1CC[C@H](c2cc3ccccc3cn2)C1 19570064 DCSQSCQYAHKNNV-SFHVURJKSA-N 318.420 4.233 0 40 DIAB CCCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22878383 MUNVXDGIYZPCMM-TVXIDFIASA-N 305.421 4.200 0 40 DIAB CC1(C)Cc2cccc(OCCNc3nc4ccccc4o3)c2O1 25576609 AABQDTBFBJOMMR-UHFFFAOYSA-N 324.380 4.032 0 40 DIAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1 27676357 BYGBPPDDFXTTAS-GFCCVEGCSA-N 319.351 4.494 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2cccs2)o1 31526256 UCDYKRXXPNDNKT-ZELMDOOWSA-N 301.411 4.136 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 31693503 PQJMMSMHDJIGSC-RNCFNFMXSA-N 318.269 4.170 0 40 DIAB Fc1ccc(NCn2nc(-c3cccs3)oc2=S)cc1 32222509 UDRBCTJOXKSZGB-UHFFFAOYSA-N 307.375 4.143 0 40 DIAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Cl)cn1 42392101 UHSSTTQAJUVWPJ-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc2ncccc2c1 49549716 QLJZNOCLSPGKJX-CQSZACIVSA-N 320.396 4.310 0 40 DIAB CCn1c([C@@H]2CCCN2C(=O)CCC(C)C)nc2ccccc21 69454192 IETQVDMJOJCCRZ-KRWDZBQOSA-N 313.445 4.156 0 40 DIAB C[C@@H](Nc1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207669 BAPREOKBLLXDJF-GDBMZVCRSA-N 304.434 4.277 0 40 DIAB C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 79092668 YWWUDDPRKZOTSE-NSHDSACASA-N 324.302 4.113 0 40 DIAB CC(C)n1cc(CCCC(=O)NCc2ccco2)c2ccccc21 79481930 ONOOJIUTTVUWGR-UHFFFAOYSA-N 324.424 4.454 0 40 DIAB Clc1ccccc1-c1nnc(CSC[C@H]2CCCCO2)o1 89821287 WDBIJJFRXNCXCH-LLVKDONJSA-N 324.833 4.192 0 40 DIAB Cc1ncsc1CNc1cccc(COCC(F)(F)F)c1 97020076 BKJFBWBDZVKABY-UHFFFAOYSA-N 316.348 4.143 0 40 DIAB COc1ccc(/C=C/C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 100744414 YUNPEDDTJNLGFQ-MWDULICISA-N 313.441 4.136 0 40 DIAB biogenic Cc1ccc(CN(C)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)o1 102402531 IZGWJMZTIIXWFY-JDPPGYRCSA-N 321.848 4.124 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225605472 VUMIIIPTJZAEGO-KBXCAEBGSA-N 307.434 4.254 0 40 DIAB CCC(CC)C(=O)Oc1ccccc1C(=O)Oc1ccccc1 384173 GVEZMZLQMJTTGD-UHFFFAOYSA-N 312.365 4.247 0 40 DIAB CCC(=O)NC1=C(C2=CCc3ccccc32)Cc2ccccc21 1387102 UAKPXQJXCUVFPT-UHFFFAOYSA-N 301.389 4.120 0 40 DIAB Cc1cccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1C 3396319 IYGDIWCDVKWFTM-UHFFFAOYSA-N 321.342 4.295 0 40 DIAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1F 3421739 ODWDGFSQXALBDS-RYUDHWBXSA-N 321.421 4.113 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1C 3607833 JUWPUYYFQMJRII-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB CN(C)CCn1c(-c2ccccc2)cc(=S)c2c1CCCC2 4276305 RUEJVRZMMOBQJX-UHFFFAOYSA-N 312.482 4.325 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2C)c1 5724864 OTSFDFVPMKVDNA-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB CC(C)c1ccc(NC(=S)NCc2ccccc2F)cc1 6347041 QBIYWNDKMYCQHM-UHFFFAOYSA-N 302.418 4.436 0 40 DIAB CC(C)c1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 6551196 RMFKNQWHIREWTI-UHFFFAOYSA-N 304.802 4.428 0 40 DIAB Cc1ccc(C)c(NC(=S)NCCCOC2CCCCC2)c1 7011111 DXMWCEPKSNEFMV-UHFFFAOYSA-N 320.502 4.329 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 8326711 WMDAFSNOHFWOQO-AWEZNQCLSA-N 317.404 4.301 0 40 DIAB CC(C)[S@](=O)c1snnc1-c1ccc(Cl)cc1Cl 8781926 RFPJJQILXCBYPU-GOSISDBHSA-N 321.254 4.028 0 40 DIAB O=C(CCc1cc2ccccc2o1)NC12CC3CC(CC(C3)C1)C2 12923086 ARWSDMHWLDKLRB-UHFFFAOYSA-N 323.436 4.450 0 40 DIAB c1ccc(-c2cnc(NC3CCCC3)nc2-c2ccco2)nc1 13268003 BKLOXDBXAUKDSD-UHFFFAOYSA-N 306.369 4.153 0 40 DIAB CCCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12 17198366 OFRYWBOXMNLVLG-UHFFFAOYSA-N 310.401 4.123 0 40 DIAB Cc1ccc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)cc1 20136079 SIRMIDCAGGGENX-UHFFFAOYSA-N 311.362 4.160 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc2c(c1)CCCC2 23954770 CTKVQCOIVDSSET-JKSUJKDBSA-N 323.436 4.210 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCCC1 30757766 GGIFJEZCFMYLFU-QGZVFWFLSA-N 307.409 4.212 0 40 DIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCc1cccs1 36398427 VYURVYWYQGUPLE-LBPRGKRZSA-N 307.846 4.082 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1nc2ccccc2s1 36709759 IUAGYYVENJFHQP-CQSZACIVSA-N 308.406 4.104 0 40 DIAB O=C1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21 38488458 HYLSSPXPANJRGD-CQSZACIVSA-N 319.282 4.014 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@H]2CCCC[C@H]2C1 40098777 XAIHMFOXGYPKCV-CABCVRRESA-N 302.418 4.129 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(N)cc1C 45889097 LLZOWMFZPPJCRM-UHFFFAOYSA-N 320.392 4.300 0 40 DIAB O=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)sc2c1 63981215 WDXTUMUHZFGNGH-UHFFFAOYSA-N 323.421 4.140 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cc3ccccc3[nH]2)o1 65522116 DLUZKVUOZYMCDQ-TZHILJJTSA-N 320.392 4.214 0 40 DIAB Cc1cccc(-c2cccc(CC3(C(=O)O)CCOCC3)c2)c1 72345722 AZKWJKXVFFBROK-UHFFFAOYSA-N 310.393 4.086 0 40 DIAB COc1cc(C(=O)c2ccc(C(C)C)cc2)cc(OC)c1OC 95917072 MIRSMKDTCQQLMM-UHFFFAOYSA-N 314.381 4.067 0 40 DIAB CCCCc1nnc(NC(=O)c2sc(C(C)C)nc2C)s1 97086698 WLVJVWWOZBDWDX-UHFFFAOYSA-N 324.475 4.021 0 40 DIAB CCCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CC[C@H]3C2=C(C)C)cc1 102599742 GVZILAKFWWDAGS-CAMMJAKZSA-N 323.436 4.121 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4cccc(C(F)(F)F)c4)[C@@H]1CC[C@@]23C 104152771 QUGPFRCQTQGUTC-SYAUCNOPSA-N 309.331 4.470 0 40 DIAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 136817942 NJWOENTXCLIHKQ-PKNBQFBNSA-N 316.784 4.495 0 40 DIAB CCc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225546799 UMFBHPHWLUOKIB-UHFFFAOYSA-N 316.445 4.307 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1 225639198 DDAWZRIPPADVHV-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC(C)CC1 225721312 XHACSDPNPTUVSJ-UHFFFAOYSA-N 319.445 4.236 0 40 DIAB Nc1nnc(/C(=C/c2c[nH]c3ccccc23)c2ccccc2)s1 408718433 XXIGGPNVVQRATO-XNTDXEJSSA-N 318.405 4.191 0 40 DIAB O=C(Cc1cccs1)c1ccc(OC(F)(F)F)c(F)c1 575360598 LNRGHQWFHSTEIF-UHFFFAOYSA-N 304.264 4.211 0 40 DIAB Cc1cc(C(=O)NC[C@H](c2ccsc2)c2ccco2)c(C)o1 1888930603 PTWPYESXLFYVEN-OAHLLOKOSA-N 315.394 4.113 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Cl)c(Cl)c1 61873 MYUAUDNSRVTJCU-NTEUORMPSA-N 318.159 4.338 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 563733 SHZGGSXBNACUHS-NYYWCZLTSA-N 321.298 4.366 0 40 DIAB O=C(Nc1nc(=S)ss1)c1cccc(C(F)(F)F)c1 3104316 ILFKGYUDERNVQE-UHFFFAOYSA-N 322.358 4.205 0 40 DIAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(C)O 4555393 XDCSRNLDRQBFAD-HQKNPNQUSA-N 309.453 4.438 0 40 DIAB Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 5031617 YLWCNINLBDPMSO-UHFFFAOYSA-N 306.148 4.349 0 40 DIAB CSc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 5451643 TYFCOKPDLCDJOH-WYMLVPIESA-N 320.417 4.063 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc1C 5814913 FIKJSQSUNLRCHA-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB CCOc1ccc(NC(=O)c2ccccc2SCC)cc1 6439652 CLKHQKRAXPXBKQ-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB Cc1cccc(-c2nnc(S)n2-c2ccc(Cl)cc2)c1 6507711 RYSPWKOWMJUREG-UHFFFAOYSA-N 301.802 4.185 0 40 DIAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 6626536 ZEIUHVACLXGHAH-CQSZACIVSA-N 315.388 4.205 0 40 DIAB Cc1nc(-c2ccc(-n3nncc3-c3cccs3)cc2)cs1 6934408 YUQPRRNDPAYQKI-UHFFFAOYSA-N 324.434 4.428 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1C 8238871 PYQSNILPMPSOCR-HNNXBMFYSA-N 323.392 4.306 0 40 DIAB CN(C(=O)c1cccc(Cl)c1)c1ccc(N2CCCC2)cc1 10113707 JBWNQTBXNSZOGV-UHFFFAOYSA-N 314.816 4.217 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1cc(F)cc(F)c1 12545612 YZZXNYGTUVRGLT-UHFFFAOYSA-N 318.710 4.419 0 40 DIAB Cc1ccc(-c2nc(NC[C@@H]3CCCO3)sc2C)cc1C 12601646 KIZYYBKKLRMZKW-HNNXBMFYSA-N 302.443 4.326 0 40 DIAB Cc1c(C(=O)Nc2nnc(C(C)C)s2)oc2c(F)cccc12 12813961 PWLVAXCTCQKQMC-UHFFFAOYSA-N 319.361 4.108 0 40 DIAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 12825032 KVHLISDRYQTFCX-GOSISDBHSA-N 313.828 4.119 0 40 DIAB Cc1cc(C(=O)N[C@H](C)CCc2ccco2)c(C)n1C(C)C 13010296 LZIRKOYMBZMGKQ-CYBMUJFWSA-N 302.418 4.030 0 40 DIAB O=C(O)c1cccnc1SCc1ccc(Cl)c(Cl)c1 13189022 BUPMPPRYTYHRIE-UHFFFAOYSA-N 314.193 4.379 0 40 DIAB O=C(Nc1ccncc1)c1ccc(Oc2ccc(F)cc2)cc1 17586133 GHRWDYLRFWKUGT-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB CSc1ccc(CN2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cc1 19842560 ZWAUGLACBVVYJK-SJLPKXTDSA-N 318.530 4.105 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(O)c(Cl)c1 22374760 XWMHQTNIXZJKAK-UHFFFAOYSA-N 322.817 4.023 0 40 DIAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)c1ccco1 27926783 MAXMOKHENQHBSV-UHFFFAOYSA-N 316.788 4.004 0 40 DIAB CC(C)c1cc(CN2[C@@H](C)COC[C@@H]2C)cc(C(C)C)c1O 31648040 CABIFKLIZMZVIX-GJZGRUSLSA-N 305.462 4.248 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1C 32476816 ADMICGKWKPTAHJ-LPHOPBHVSA-N 323.436 4.265 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1(C)C 32843228 HUINDZQGANDZRK-CVEARBPZSA-N 305.849 4.237 0 40 DIAB C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc2ccccc12 32986384 HWBLXBDDIABIPT-QMTHXVAHSA-N 308.208 4.211 0 40 DIAB COC(=O)c1c(CCCc2ccc(Cl)cc2)cccc1OC 35973501 TXFITIRULIEZPN-UHFFFAOYSA-N 318.800 4.311 0 40 DIAB CCOC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1 45923169 GGBFMENTQIXVDK-UHFFFAOYSA-N 315.369 4.208 0 40 DIAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(F)cc1F 48463564 JYQLWDMSIMGSEE-GFCCVEGCSA-N 319.351 4.243 0 40 DIAB Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)c1C 48652272 RZUPNJFRERCLBW-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB O=C(c1ccsc1)N1CCC(CSCc2ccco2)CC1 85472466 LEUROESWEKBBOE-UHFFFAOYSA-N 321.467 4.127 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(F)c(F)c2)cc1 113969581 JLYOOHXLNXKFTD-KRWDZBQOSA-N 319.351 4.323 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2cc(C)ccc2C(C)=CC1(C)C 223210753 XALRCSUGBLHNLK-QGZVFWFLSA-N 301.430 4.195 0 40 DIAB CC(C)OC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 225449597 ZTZINRGVAGVTGG-UHFFFAOYSA-N 304.434 4.359 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1ccnc(-c2ccsc2)c1 225754362 AMLKNGGNLCLXSI-VOTSOKGWSA-N 320.417 4.140 0 40 DIAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C1=O 245232185 QDUOONWQMKZMFZ-PSBWJHGTSA-N 321.420 4.011 0 40 DIAB C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccco1 575621469 OOHDHUJCMLANTE-XEHSLEBBSA-N 311.406 4.255 0 40 DIAB FC(F)(F)c1cccc(-c2nnnn2-c2cccc(Cl)c2)c1 1386027 HFFFLDPXLBMREY-UHFFFAOYSA-N 324.693 4.002 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2ccccc21 1469234 RPQDGGJOGWOPQR-CYBMUJFWSA-N 315.800 4.005 0 40 DIAB CC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3348122 XJCIGFPFCVSPMV-HNNXBMFYSA-N 310.378 4.159 0 40 DIAB C[C@H](CCc1cn(C)c2ccccc12)NC(=O)c1ccc(F)cc1 3765552 ZUSZNIIMNTUODO-CQSZACIVSA-N 324.399 4.069 0 40 DIAB Cc1ncsc1C(=O)Nc1cccc2c1[C@@H](C)CC2(C)C 4106869 ZIXRWTTVYMUKNL-JTQLQIEISA-N 300.427 4.489 0 40 DIAB CCOc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 4906349 HACNJMZXMCGFJL-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB Cc1csc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 5101606 WTZJJOADPKDHAE-UHFFFAOYSA-N 312.847 4.144 0 40 DIAB Cc1cc(COc2ccc3cc(Br)ccc3c2)no1 5281549 ORRNKDZLJKFKPL-UHFFFAOYSA-N 318.170 4.478 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 5299459 IHLDBJRBEYDISP-UHFFFAOYSA-N 311.410 4.241 0 40 DIAB CCc1ccccc1NC(=O)CSCc1cccc(F)c1 7146094 NRKSNJBMGBQDRN-UHFFFAOYSA-N 303.402 4.260 0 40 DIAB Oc1cccc2c(NC(=S)NCCc3ccccc3)cccc12 7519878 QTUZYCHLMTYDSM-UHFFFAOYSA-N 322.433 4.075 0 40 DIAB Cc1c(Cl)cccc1-c1ccc(CNC[C@H]2CCCO2)o1 7538932 ZSMBATONJUXBJZ-CYBMUJFWSA-N 305.805 4.177 0 40 DIAB COc1ccc2cc(CN(C)C(=O)c3ccsc3)ccc2c1 8360989 WCPZLIUBGGKNRL-UHFFFAOYSA-N 311.406 4.182 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccs1 8774397 XHSIGAORLUVEMJ-LLVKDONJSA-N 312.394 4.203 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)c(C)c1 12676530 OVPQPXDZFXRQED-OXQOHEQNSA-N 322.452 4.371 0 40 DIAB O=C(Nc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 13001137 BZSZFYDDOSAVGW-CQSZACIVSA-N 302.374 4.184 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 16046548 MYPHVPDNCQKJGM-ZDUSSCGKSA-N 320.392 4.294 0 40 DIAB COc1cc(OC)c(/C=C/c2nccc3ccccc23)c(OC)c1 17060890 XMKKKMCYMNVTFD-CMDGGOBGSA-N 321.376 4.431 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C1CCCCC1 20484187 MVBKHBRGZHUBKV-SFHVURJKSA-N 303.446 4.252 0 40 DIAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2ccccc2)CC3=O)c1 20632851 HFMGPDNQMZAZJS-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c(C)c2)c(C)c1 26844511 HQHZROXDCYOZCM-UHFFFAOYSA-N 324.829 4.341 0 40 DIAB O=C(O)c1csc(Nc2cccc(-c3cccc(F)c3)c2)n1 27914103 NURCCNUNUYKCDS-UHFFFAOYSA-N 314.341 4.391 0 40 DIAB C[C@@H]1c2cccn2CCN1C(=O)c1cc2c(s1)CCCCC2 30263661 FLNHWCRFLLDRLD-CYBMUJFWSA-N 314.454 4.036 0 40 DIAB O=C(/C=C/c1ccco1)O[C@@H](c1ccccc1)c1ccncc1 68284174 WVIWZXNUIUSBCY-SGQUHAKNSA-N 305.333 4.021 0 40 DIAB CC(C)CNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72213321 YAGXAJMZIPVWFF-SFHVURJKSA-N 323.440 4.127 0 40 DIAB Fc1ccc(-c2c[nH]nc2-c2cnn(Cc3ccccc3)c2)cc1 72391700 FAQWWRTWIMELIS-UHFFFAOYSA-N 318.355 4.128 0 40 DIAB Nc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 85386193 DUAIJZYEPCTVNG-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB O=C(NCCC[C@@H]1CCCCO1)Nc1cccc(C(F)F)c1 97138242 UFZISNIWQNQBDJ-AWEZNQCLSA-N 312.360 4.095 0 40 DIAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1cccs1 100887826 KRZVVHTVRHOLOK-RHYQMDGZSA-N 305.472 4.293 0 40 DIAB CC1(C)C[C@H](NC(=O)CCc2ccccc2)c2ccccc2O1 121848125 WULAHWFQAGKHJK-KRWDZBQOSA-N 309.409 4.038 0 40 DIAB Cc1cc(C(=O)N2CCS[C@H](c3cccs3)CC2)c(C)o1 219496065 ZSISHIFBHRAULH-HNNXBMFYSA-N 321.467 4.278 0 40 DIAB CC[C@@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1 225179423 DHUFJTWGAWQFBK-SNVBAGLBSA-N 305.472 4.203 0 40 DIAB CCN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)[C@H](C)C(C)C 252507862 WVKABUAWWDHSOG-LLVKDONJSA-N 323.387 4.018 0 40 DIAB Cc1cc(C[C@@](O)(/C=C/c2ccccc2)c2ccccc2)on1 387791 RRIDKSXWEQOLJO-SJFMBGHLSA-N 305.377 4.127 0 40 DIAB Clc1ccccc1N1COc2ccc(Br)cc2C1 553240 CLEBANDVSUXKQB-UHFFFAOYSA-N 324.605 4.459 0 40 DIAB C[C@H](Oc1ccc2c(c1)OCO2)c1ccnc(-c2ccccc2)n1 1390318 PPNDDTPKQHDBPD-ZDUSSCGKSA-N 320.348 4.012 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 1456749 VOYJZLPXBVTSMF-OXJNMPFZSA-N 323.436 4.427 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Cl 3608442 LNXSEAPJKSLJNQ-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881897 GCKMFJBGXUYNAG-XUFBONQXSA-N 302.458 4.269 0 40 DIAB biogenic CCOc1ccc(NC(=O)Nc2cn(C)c3ccccc23)cc1 5265803 TZMNIEHXRHSXQA-UHFFFAOYSA-N 309.369 4.221 0 40 DIAB CSc1cccc(NC(=O)COc2cccc(Cl)c2)c1 5442376 CQDMWGAJNUJNMG-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB CCOc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6892398 GZGPTTWIZTVHKE-QVSKIWFPSA-N 316.441 4.008 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2ccccc2C)c(OC)c1 8325970 VIPRRTMDNXRHKF-MRXNPFEDSA-N 313.441 4.471 0 40 DIAB Cc1c(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N 8703359 AOUWEASIBQHCTG-UHFFFAOYSA-N 308.168 4.274 0 40 DIAB CCc1ccccc1NC(=O)Cc1cc(-c2ccccc2)on1 12861730 FKVNBPNDPXUDJH-UHFFFAOYSA-N 306.365 4.085 0 40 DIAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(F)cc1 13636135 HEGFYORJGIMDIA-UHFFFAOYSA-N 302.418 4.435 0 40 DIAB CSc1nc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2s1 14500999 DYSRNYKTZBZJRZ-SNVBAGLBSA-N 304.440 4.313 0 40 DIAB CC(C)(C)c1csc(NC(=O)Cc2ccc(Cl)cc2)n1 14793896 ILMLXAOBRPWRGB-UHFFFAOYSA-N 308.834 4.275 0 40 DIAB COc1cc2ccccc2cc1C(=O)NC[C@@H](C)c1ccccc1 15744990 PXKJQAGUYGBSTP-OAHLLOKOSA-N 319.404 4.382 0 40 DIAB CCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736510 VPTFZVVJGCBAEB-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@@H](C)C1 20043913 TWAOVGBQOWFCON-QAPCUYQASA-N 311.425 4.256 0 40 DIAB CCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20136648 WKIKAXLUPOLBEW-UHFFFAOYSA-N 301.386 4.266 0 40 DIAB Cc1ccccc1[C@@H](C)N[C@H](C)c1nnc(-c2ccccc2)o1 24518931 BFMGUSOGKFBVQE-HUUCEWRRSA-N 307.397 4.457 0 40 DIAB FC(F)(F)Oc1cccc2c(Cl)nc(C(F)(F)F)nc12 26894547 NIVMMGHRMJQXBY-UHFFFAOYSA-N 316.588 4.201 0 40 DIAB CC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 31676015 OWFYDEDCTNIJQS-UHFFFAOYSA-N 316.307 4.213 0 40 DIAB CCCCN[C@@H](c1ccc(C=O)cc1)C(Cl)(Cl)Cl 31938612 VTUBCGHFOSQWHR-LBPRGKRZSA-N 308.636 4.300 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 36666498 PKQPNGYRAKHQDB-CYBMUJFWSA-N 301.817 4.322 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)cc(Cl)c1 45370995 VIAIEZSEWXALKN-AWEZNQCLSA-N 322.191 4.247 0 40 DIAB Cc1cc(COc2ccc3ccc(C(F)(F)F)nc3c2)on1 48326262 WTWPXMMUAWCSJE-UHFFFAOYSA-N 308.259 4.129 0 40 DIAB Cc1csc(-c2ccc(C(=O)N[C@H](C)c3cccnc3)cc2)n1 58277804 PVLYPMACUZRVEV-CYBMUJFWSA-N 323.421 4.005 0 40 DIAB Cc1nc(SCCC(=O)Nc2ccccc2)c2ccccc2n1 65501972 VPBRIDYNZMWIQS-UHFFFAOYSA-N 323.421 4.059 0 40 DIAB c1ccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc2c1 70461314 RTVUZIJQRGDMIS-UHFFFAOYSA-N 312.332 4.229 0 40 DIAB COc1ccc(CCCC(=O)Nc2cccc(F)c2C)cc1 73392051 MNQOAYQYOUSBMU-UHFFFAOYSA-N 301.361 4.104 0 40 DIAB CCOc1ccc(O[C@@H](C)c2nnc(-c3cccs3)o2)cc1 75092383 BEVKLAAAFAUDKV-NSHDSACASA-N 316.382 4.337 0 40 DIAB CC(=O)c1csc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c1 95973285 ICDWDSFDQXDPQG-BDJLRTHQSA-N 313.422 4.319 0 40 DIAB O=C(Nc1ccccc1Oc1ccccc1)c1n[nH]cc1Cl 96182668 BWZHNKWITBVCJF-UHFFFAOYSA-N 313.744 4.108 0 40 DIAB Cc1cnccc1NC(=O)Nc1cc(Cl)c(O)c(Cl)c1 97103415 UXWZBKGCPMPIRD-UHFFFAOYSA-N 312.156 4.046 0 40 DIAB COCc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 192460604 VZYVBHXYKOQSNP-UHFFFAOYSA-N 309.409 4.284 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccccc1 222976303 OUBZGTMBOPPFLV-APWZRJJASA-N 311.425 4.338 0 40 DIAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCCCC3)ccc21 225158935 BUHRNQSJXSCUBO-UHFFFAOYSA-N 318.442 4.163 0 40 DIAB O=C(NCCCc1cccc2ccccc12)NC1CCCCC1 225758431 XYYNRMKVRNKPEK-UHFFFAOYSA-N 310.441 4.404 0 40 DIAB Cc1nc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc2s1 408975376 AVFUEDXOUWKNOU-MRXNPFEDSA-N 322.433 4.234 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](C)C1 196253 GJHQTMLCQDWKHH-LLVKDONJSA-N 318.804 4.176 0 40 DIAB CCCCCc1nc2ccccc2c(=O)n1CCc1ccccc1 2252500 GHKUOQLMRLPMNG-UHFFFAOYSA-N 320.436 4.372 0 40 DIAB COc1ccc(C(=O)COc2ccc3ccccc3c2)c(OC)c1 2650453 YVYGBHKIYBDXAG-UHFFFAOYSA-N 322.360 4.119 0 40 DIAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 3571220 BALUUZIPXDZYQT-UHFFFAOYSA-N 324.405 4.274 0 40 DIAB CN(C)Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C=O 4015315 QLQSLYJKGXHJMZ-UHFFFAOYSA-N 304.393 4.223 0 40 DIAB O=c1oc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 4070921 FVPKDJYLYRUMRR-ZHACJKMWSA-N 309.390 4.299 0 40 DIAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccs1 4088254 FZWOPKJUQFETNY-UHFFFAOYSA-N 314.391 4.016 0 40 DIAB aggregator COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1C 7069471 JJDXCNMSDCIZFY-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccccc1Cl 15471979 ZLRSFHIQKRVZBC-XZHRJIJLSA-N 315.800 4.239 0 40 DIAB Cc1ccc2c(C)c(C(=O)Nc3ccc4nsnc4c3)oc2c1 15841340 FHMGAQKMFIEIQS-UHFFFAOYSA-N 323.377 4.307 0 40 DIAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc2ccccc12 17840873 HANIORYUHGINRZ-CYBMUJFWSA-N 315.376 4.207 0 40 DIAB CCCCSc1cc(C(=O)NC2CC2)c2ccccc2n1 22866300 VGPMZUHUYCRYCE-UHFFFAOYSA-N 300.427 4.019 0 40 DIAB O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 26905883 IOCNLHFTIWBOHS-ICSRJNTNSA-N 305.421 4.443 0 40 DIAB COc1cccc2cc([C@H](C)NCc3csc(C)n3)oc12 28926039 YTKNNPCLFFVKGF-JTQLQIEISA-N 302.399 4.057 0 40 DIAB CCOCCCNC(=O)/C=C/c1sc2ccccc2c1Cl 32747805 AZUKRNQTUMZITH-CMDGGOBGSA-N 323.845 4.111 0 40 DIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(Cl)s1 32828118 VYVBWGWUNGGBDU-UHFFFAOYSA-N 303.774 4.044 0 40 DIAB Cc1ccc(NC(=O)N(C)Cc2cccc(F)c2)c(Cl)c1 40096895 MIEFAMBMWYCOPU-UHFFFAOYSA-N 306.768 4.451 0 40 DIAB CCCCCC[C@@H](CC)C(=O)N1CCC(c2nc(C)no2)CC1 69946911 MCXDUDQTQAPBDQ-OAHLLOKOSA-N 321.465 4.081 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)NCc1cc(C)oc1C 70640396 NVVOXZQVUVFXIL-UHFFFAOYSA-N 323.392 4.378 0 40 DIAB O=C(CCc1nc2ccccc2s1)Nc1ccc2cc[nH]c2c1 71284036 VSEIOCSTYPBQHR-UHFFFAOYSA-N 321.405 4.349 0 40 DIAB CCOc1ccc(N[C@H](C)c2ccc(F)cc2F)cc1CO 71948205 KRAXAXIWVFRUNY-LLVKDONJSA-N 307.340 4.029 0 40 DIAB Cc1csc([C@@H]2CCCCN2C(=O)CC(C2CC2)C2CC2)n1 72273883 MOSHMYYUEKBJSW-INIZCTEOSA-N 318.486 4.331 0 40 DIAB Cc1ccc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 79440753 ZRTYSXVWVRHYMK-AWEZNQCLSA-N 322.474 4.129 0 40 DIAB Cc1cc(CN(C)C(=O)Nc2ccccc2SC(C)C)no1 89604728 YRSVAJYTWXCPDZ-UHFFFAOYSA-N 319.430 4.147 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3c(-c4ccccc4)n[nH]c3C2)s1 95117793 LRBMSIOEUILQPW-ZDUSSCGKSA-N 308.406 4.359 0 40 DIAB Cc1nc(-c2cccc(NC(=O)c3ccc[nH]c3=S)c2)[nH]c1C 95350960 SOEPHSVYNRJSEY-UHFFFAOYSA-N 324.409 4.003 0 40 DIAB COc1ccc2cc(C(=O)c3ccc(F)c(F)c3F)ccc2c1 95917117 JFVICTDDTWSDBO-UHFFFAOYSA-N 316.278 4.497 0 40 DIAB CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102685216 RXQBPDAVPMMEHG-SEYXRHQNSA-N 318.376 4.064 0 40 DIAB CSC(C)(C)CN[C@@H](C)c1ccc(OC2CCOCC2)cc1 154324214 YJPWITNVEKFTKK-AWEZNQCLSA-N 323.502 4.037 0 40 DIAB Cc1ccnc(N(Cc2cccc(F)c2)C(=O)OC(C)(C)C)c1 199714000 CNCYKKOYBYKBQZ-UHFFFAOYSA-N 316.376 4.471 0 40 DIAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 216943737 GAZULCWUUFKGGR-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccccc1 223744640 JWYVVDLZOHGGSV-OUKQBFOZSA-N 309.409 4.018 0 40 DIAB CCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OCC 224694501 KFVSNACGZZPGDQ-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 226304923 HAFYLBPVLOQFLZ-LLVKDONJSA-N 318.804 4.054 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260624975 XCQOMBAADLFNNF-RHSMWYFYSA-N 303.446 4.285 0 40 DIAB C[C@H](CC1CCCC1)C(=O)N1CCC[C@H](c2cccnc2)C1 585089631 PQXQLPRCMBCFEJ-QAPCUYQASA-N 300.446 4.004 0 40 DIAB C[C@H]1C[C@@H](C)C[C@H](CNC(=O)NCc2cccc(Cl)c2)C1 1563439760 GIBZLHIZKDMTEM-NHAGDIPZSA-N 308.853 4.212 0 40 DIAB O=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21 117260 IIHXKBJYWQXVJQ-UHFFFAOYSA-N 315.372 4.241 0 40 DIAB CCCN(C(C)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356416 BEOMOCDZETWDAQ-UHFFFAOYSA-N 317.458 4.266 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)cc1Cl 2514639 VVNOUUGCFHINAS-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB O=C(O)CCCCCCC(=O)c1ccccc1C(F)(F)F 2579908 PHMJOXYUWMHCHH-UHFFFAOYSA-N 302.292 4.313 0 40 DIAB CC(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 3312572 ARJVQYRKOTWUBD-UHFFFAOYSA-N 313.422 4.400 0 40 DIAB CC(C)[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O 4162261 LDCYUQWOTSEZCL-JSXRDJHFSA-N 309.453 4.486 0 40 DIAB CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@H]1CCCCCCCC(=O)O 4404044 LAIUZQCFIABNDP-MWDXBVQZSA-N 312.450 4.307 0 40 DIAB biogenic,in-vitro CCCCCCOC(=O)O[C@@H](C)C(=O)OCCCCCC 4804945 WJYVFPIAUQHPIY-AWEZNQCLSA-N 302.411 4.232 0 40 DIAB Fc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1F 5517499 OCPUIXQQIAJMNB-UHFFFAOYSA-N 303.337 4.202 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C/c1ccc2ccccc2n1 5549993 XFQVOLWSIUAMOF-PKNBQFBNSA-N 321.376 4.431 0 40 DIAB Fc1ccccc1-n1c(S)nnc1-c1ccccc1Cl 6189983 OVGSTDQWUJONFD-UHFFFAOYSA-N 305.765 4.016 0 40 DIAB CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6459350 OAYMHEFLKVEHCJ-UHFFFAOYSA-N 308.472 4.045 0 40 DIAB CCCOc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 6593406 ZTPXDGPDISJEAB-UHFFFAOYSA-N 313.441 4.030 0 40 DIAB ClC1(Cl)C[C@H]1Cn1c([C@@H]2CCCO2)nc2ccccc21 7343610 KRFNGRLOKDYAEE-GWCFXTLKSA-N 311.212 4.082 0 40 DIAB Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)oc1C 8332224 SJLJMZUXXYTYBF-UHFFFAOYSA-N 312.394 4.175 0 40 DIAB Cc1ccc(-c2nn(CC(=O)c3ccccc3)c(=S)o2)cc1 8550650 ZZOLTQNDGXDTQO-UHFFFAOYSA-N 310.378 4.064 0 40 DIAB C[C@H]1CC(=O)c2c(Oc3ncnc4sccc34)ccc(F)c21 9429133 KCOBDEXJLPQTPR-QMMMGPOBSA-N 314.341 4.313 0 40 DIAB CCc1ccc(CCC(=O)NCCSC2CCCCC2)cc1 10365172 NHMAPHMUZHERNQ-UHFFFAOYSA-N 319.514 4.364 0 40 DIAB O=C(Nc1ccccc1)N(Cc1cccs1)c1ccccn1 11914873 YYAJNHKLODYYCI-UHFFFAOYSA-N 309.394 4.382 0 40 DIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1CC=CCC1 12548971 IELLZMZGQFYGHZ-AWEZNQCLSA-N 309.413 4.058 0 40 DIAB CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 12607456 DBDDGSCEBASVIF-FQEVSTJZSA-N 316.404 4.163 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12653159 WLQOPAUMPGYQCV-HTBDUDNFSA-N 323.477 4.156 0 40 DIAB CN(C(=O)c1cc(Cl)ccc1F)[C@H]1CCc2ccccc21 12773585 IJOTYTBUZBTTGH-INIZCTEOSA-N 303.764 4.239 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 13004392 BIDPVIOZNTYWOR-HNNXBMFYSA-N 321.298 4.003 0 40 DIAB O=C(O)c1cccnc1Sc1cc(Cl)ccc1Cl 13091012 TYEMHXCHVTYDMB-UHFFFAOYSA-N 300.166 4.238 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(OC2CCCC2)cc1 13669563 YKWZTWKPPQCXRY-UHFFFAOYSA-N 311.381 4.269 0 40 DIAB CC(=O)c1ccc(OCc2ccccc2Br)cc1 19511812 ILBUOKVDQKXBDR-UHFFFAOYSA-N 305.171 4.231 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(N)c1 19736480 GWNUADOEQYOIHZ-OAHLLOKOSA-N 318.804 4.027 0 40 DIAB COCc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 25334932 ZJTIMAVVMQCLPW-UHFFFAOYSA-N 323.314 4.033 0 40 DIAB Cc1cc(NC(=O)CCC2CCCC2)n(-c2ccc(F)cc2)n1 28219962 WIHNNSYGHLHFMA-UHFFFAOYSA-N 315.392 4.229 0 40 DIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(C2CCCC2)n1 32610709 PPZBUALQLHZISA-UHFFFAOYSA-N 317.820 4.141 0 40 DIAB CC(C)c1ccc2oc(-c3cccc(-n4cnnc4)c3)nc2c1 40542241 IIRPRBLRQOCONU-UHFFFAOYSA-N 304.353 4.199 0 40 DIAB Cc1ccccc1Nc1nc(N2CCCC2)c2ccccc2n1 41148096 PYWHRDFHLJPYIZ-UHFFFAOYSA-N 304.397 4.282 0 40 DIAB Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)c(Br)c1 57353775 QEGLSBRRJRDNOZ-QPJJXVBHSA-N 307.143 4.115 0 40 DIAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc2ccccc2n1 69562027 IFRQQYJQRKCUBY-QGZVFWFLSA-N 322.795 4.306 0 40 DIAB c1ccc(CN2CCC[C@@H]2c2cccnc2NC2CCC2)cc1 72213887 MSMNZPZMBAFRQQ-LJQANCHMSA-N 307.441 4.383 0 40 DIAB CC(C)CCC(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 75106105 ZOYUHJSEYYZYCP-LLVKDONJSA-N 321.808 4.003 0 40 DIAB Clc1cc(-c2ccc(Br)cc2)nc(C2CC2)n1 78401392 FYWPUKJUUSTYKY-UHFFFAOYSA-N 309.594 4.437 0 40 DIAB CCC1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 78884844 OOWZKVOCMCLULQ-PQAZSJQKSA-N 305.384 4.440 0 40 DIAB Fc1cccc([C@@H](NCc2ccccc2)C(F)(F)F)c1F 95347734 QBQRCPAYNRTITP-CQSZACIVSA-N 301.258 4.358 0 40 DIAB in-vitro CC/C(=C\C(=O)N1CCn2cccc2[C@@H]1C)c1ccc(C)cc1 96035186 YOMJIHCEOKMORL-WUVIJCSQSA-N 308.425 4.193 0 40 DIAB Cc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)s1 113835943 WYIGYPRVIFBYDL-UKTHLTGXSA-N 301.392 4.297 0 40 DIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccccc1Cl 204134639 HRFFZOICSUZBNH-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc(C)cc1 224618840 FTGOYNGLZPINNL-AEFFLSMTSA-N 305.462 4.485 0 40 DIAB Cc1ccc(Cl)cc1C[C@H](Sc1ccccc1)C(=O)O 225078200 KIULRCNDHVNVJS-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB CC(C)(C)SCCNC(=S)Nc1ccc(F)c(Cl)c1 225350974 PJXBROPRZIPHJU-UHFFFAOYSA-N 320.886 4.297 0 40 DIAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225631881 JVIORRJXAUJZSZ-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB Cc1ccc(NC(=O)c2snnc2-c2ccccc2)c(C)c1 225758917 BKTFZUZLOGLMEU-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCOc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 408574422 QLYLRZBMQSTERF-UHFFFAOYSA-N 305.830 4.204 0 40 DIAB S=C(NCc1ccco1)c1ccccc1OCc1ccccc1 408575399 ODWHIIAXFVRKAW-UHFFFAOYSA-N 323.417 4.324 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)c1nc([C@@H]2CCCOC2)no1 554832484 UJBFQTULAMZFTK-UKRRQHHQSA-N 324.380 4.257 0 40 DIAB CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 149451 OCNZCBZOZYJTNB-UHFFFAOYSA-N 301.198 4.465 0 40 DIAB Cc1ccc(C2=C(Cl)S(=O)(=O)c3cc(C)ccc32)cc1 339244 LUBPMEVRAPYRMK-UHFFFAOYSA-N 304.798 4.046 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2ccc(OC)cc2)c1C 411490 WHXDDPRKGCDIGL-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB Clc1ccc2nc(-c3cccnc3)c(NC3CCCC3)n2c1 417120 HRCHPMLQSINLRP-UHFFFAOYSA-N 312.804 4.404 0 40 DIAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(C)=O 3236540 RYRBMUSHEMHBEW-UHFFFAOYSA-N 323.801 4.204 0 40 DIAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O 3875387 IKXILDNPCZPPRV-RFMGOVQKSA-N 304.474 4.205 0 40 DIAB world Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)N=C(O)CCN21 4000191 TTXWBUDCDPULPR-CSNYQSHPSA-N 322.408 4.456 0 40 DIAB biogenic C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4081586 JRNSSSJKIGAFCT-LZBJGFFQSA-N 302.458 4.125 0 40 DIAB biogenic C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4081588 JRNSSSJKIGAFCT-QUEHFYTJSA-N 302.458 4.125 0 40 DIAB biogenic O=C(Nc1ncnc2sccc12)c1cccc2ccccc12 5299463 DDCIFEYWWIKSKF-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB COc1cccc(NC(=S)N[C@H]2C[C@H](C)CC(C)(C)C2)c1 5551582 HEEYGXFJGHYMPM-JSGCOSHPSA-N 306.475 4.196 0 40 DIAB Cc1ccc(CC(=O)Nc2cccc(Br)c2)cc1C 5558293 GKLFDQKETQVAGI-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB O=c1cc(CSc2c(Cl)cccc2Cl)[nH]c(=S)[nH]1 5626207 QWPLJEDFPFRPGF-UHFFFAOYSA-N 319.238 4.032 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5865163 LLNFAQMVXHXLIV-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB CC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 6634546 MUDRJVYDOOQWGU-UHFFFAOYSA-N 303.789 4.472 0 40 DIAB CC(C)c1nn2cc(-c3ccc(Br)cc3)nc2s1 7994983 WXUGXYSRXHSXOB-UHFFFAOYSA-N 322.231 4.344 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 8041493 CQQRVELTHNFEEJ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 8315934 XPPILGYSAPKKLS-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(F)c2)c1 8371122 YYICDCHEEUGEIR-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB O=C(NCC1(c2ccc(Cl)cc2)CC1)NC1CCCCC1 12429080 VVQGGMYKESZYNR-UHFFFAOYSA-N 306.837 4.004 0 40 DIAB OCc1cc2ccccc2nc1Sc1nc2ccccc2s1 12533632 WWFQWVRGWORHLL-UHFFFAOYSA-N 324.430 4.488 0 40 DIAB COc1ccccc1CN(Cc1cccnc1)Cc1cccs1 13569705 SJCRUJZHHHYVJQ-UHFFFAOYSA-N 324.449 4.354 0 40 DIAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2c(C)noc2n1 14179916 HFDKNLYXHCBEGX-UHFFFAOYSA-N 315.760 4.054 0 40 DIAB CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2CC1 14442187 BYQLYGRDILHOFF-WOUAJJJCSA-N 318.457 4.321 0 40 DIAB biogenic CC[C@H](C)c1ccccc1OC[C@H](O)CSc1ccccn1 16839872 CYLFCYUGWXBBNM-GJZGRUSLSA-N 317.454 4.127 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158427 XKJFRCGCQRQLHG-UHFFFAOYSA-N 310.353 4.185 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NC1CCCCCCC1 20450558 GUWFPCKKZJXHNI-QGZVFWFLSA-N 303.446 4.382 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1 20450918 AORMDBDDQBXXAD-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3)no2)cc1 20896761 FQLZFMDHBNXADE-UHFFFAOYSA-N 323.348 4.268 0 40 DIAB C[C@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 25747954 VDYRINLHVJBFDA-RYUDHWBXSA-N 322.861 4.073 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)NC1CCCCC1 28225423 XXUDBDJHVOLHFZ-UHFFFAOYSA-N 308.451 4.040 0 40 DIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 29762273 QRUADJJFRCKTBM-OAHLLOKOSA-N 324.424 4.084 0 40 DIAB CCOC[C@@H]1c2ccccc2CCN1Cc1c[nH]c2ccccc12 31669938 YQTCYADVPQXATE-OAQYLSRUSA-N 320.436 4.304 0 40 DIAB FC(F)(F)c1cccc(-c2noc(CNc3ccccc3)n2)c1 40032399 KIIUKUOTWZWIQH-UHFFFAOYSA-N 319.286 4.368 0 40 DIAB Cc1ccc(C(C)C)c(OCCn2c(C=O)nc3ccccc32)c1 41058281 SWVQBYYCGWWZOG-UHFFFAOYSA-N 322.408 4.360 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1 43209981 ZXMSVCPLXZEVLX-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1ccc2cc(C(=O)N(Cc3ccc(C)o3)C(C)C)[nH]c2c1 64833151 DJXCHFZTNXMPTB-UHFFFAOYSA-N 310.397 4.429 0 40 DIAB CCCCc1nc(C)c(C(=O)NC(C)(C)c2ccccc2)s1 65403216 WJKDAACXNSODJV-UHFFFAOYSA-N 316.470 4.459 0 40 DIAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 65493065 FEVCNFHGGZQJBV-OAHLLOKOSA-N 323.440 4.012 0 40 DIAB Cc1ccc(CN(C(=O)N[C@H](C)c2ccncc2)C(C)C)s1 69654620 MQXWHUJUHLPQST-CQSZACIVSA-N 317.458 4.133 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1ccco1 71909343 PJYGXVIVFIMWGF-GOSISDBHSA-N 322.408 4.447 0 40 DIAB Cc1cc2oc(C(=O)Nc3ccccc3)cc(=O)c2cc1Cl 72238577 BZUCQZGDRBNPGU-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB Cc1ccc(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)cc1C 72312669 ANSKRYXMIJXQRX-CYBMUJFWSA-N 321.442 4.124 0 40 DIAB Cc1cc(N)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1 72414093 CIXUWKIZLUGJGV-UHFFFAOYSA-N 311.772 4.031 0 40 DIAB Cc1cc(F)cc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)c1 74949932 FPHZMGPKFSYLMB-LLVKDONJSA-N 305.315 4.183 0 40 DIAB Cc1cc(C)c([C@H](O)c2cccc(Br)c2)cc1C 86493312 ODTPVIHTLWAYHY-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1cnc2ccsc2c1 95422817 BUUXQPAZANUZCE-GHMZBOCLSA-N 315.442 4.183 0 40 DIAB Cc1ccc2c(ccn2CC(=O)Nc2cccc3[nH]ccc23)c1 95477042 PDJOCVASBYEYED-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB CC(=O)Nc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1 98086528 ZIALNCNQVVFXAH-UHFFFAOYSA-N 324.302 4.156 0 40 DIAB Cc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c(C)c1 225026268 BTFWGXMXHHTMHP-LJQANCHMSA-N 312.409 4.303 0 40 DIAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Cl 225482786 WEUQRNSRORGCLB-INIZCTEOSA-N 315.800 4.156 0 40 DIAB C[C@]1(CO)CCC[C@]2(C)[C@H](CCc3ccoc3)[C@H](CO)CC[C@@H]12 504747799 XAXWAJGTWLGWSN-PXTPFGJHSA-N 320.473 4.036 0 40 DIAB biogenic Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)s2)o1 2641632 AINPBBAZFOYJLO-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB O=C(Nc1ccc(F)cc1)[C@]1(c2ccccc2)CC1(Cl)Cl 3084297 JAXCJFUZBOSNDM-OAHLLOKOSA-N 324.182 4.280 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1snnc1-c1ccccc1 3170001 VMPKFYLDQLAUGE-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB FC(F)(F)Oc1ccc(NC(=S)NC2CCCCC2)cc1 3231846 XZMWFOJYOKAUFT-UHFFFAOYSA-N 318.364 4.204 0 40 DIAB O[C@@]1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1 4344095 IEMSNWKDTDMZQQ-FQEVSTJZSA-N 301.345 4.045 0 40 DIAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccncc1)c1ccc(Cl)cc1 5226921 QJHDKYJHBQENLR-SUMWQHHRSA-N 316.832 4.352 0 40 DIAB COc1ccc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 5240790 AGYKFIZBVLBSHF-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB O=C(NCCSCc1cccs1)c1ccc(Cl)cc1 5245598 RZVSUGKDMCGYMB-UHFFFAOYSA-N 311.859 4.065 0 40 DIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\C=C/c1ccccc1 5328280 YTMWYNIERHPCLE-NQTKTJBGSA-N 309.752 4.241 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1ccc(Cl)cc1 6060331 VOLTZPOVAKCPOT-HLHGXTSASA-N 309.752 4.350 0 40 DIAB COc1cccc(-n2cnnc2SC/C=C/c2ccccc2)c1 6163055 XNIDGZFSFJFPNW-RMKNXTFCSA-N 323.421 4.081 0 40 DIAB O=C(c1ccccc1)N1CCc2nc(-c3ccccc3)sc2C1 6670313 PVPADHKGJZLBCH-UHFFFAOYSA-N 320.417 4.009 0 40 DIAB COC(=O)c1cn(CCCOc2ccccc2C)c2ccccc12 6969294 OTXYCXAULKGBBP-UHFFFAOYSA-N 323.392 4.205 0 40 DIAB O=C(NCc1ccccc1Cl)c1ccccc1C(F)(F)F 7000742 YIYZZPZQJQYFLJ-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccc(F)cc1Cl 7767985 KQDFGOXESJZNAA-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)cc1 8085482 PAJDIMPRBYGDGR-INIZCTEOSA-N 318.417 4.272 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)[nH]n1 8280645 KFMXWHQOWTVAKP-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB CC(C)c1ccc(O[C@@H](C(=O)O)C(C)C)c(Br)c1 11891637 FAPARIXBAXREGH-CYBMUJFWSA-N 315.207 4.061 0 40 DIAB Cc1cc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3)cc2c1 12493046 UHYDZBIAOMBTFY-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cc1ccc(N(C(=S)Nc2ccccc2)C2=NCCC2)cc1 16740141 URUTVSXCHVZCHH-UHFFFAOYSA-N 309.438 4.391 0 40 DIAB CC(C)c1ccc(-c2nn3c(=O)c4ccccc4nc3s2)cc1 17055802 HWLIVZWTNVELOF-UHFFFAOYSA-N 321.405 4.095 0 40 DIAB COc1cc(CNc2ccc(Br)cc2C)ccc1O 19905560 WZWJNCIWZCXERW-UHFFFAOYSA-N 322.202 4.084 0 40 DIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(F)c1 31455917 XMPANIDICFJYKH-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB CCCN(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 31613720 XUSOQCUAEZBUMT-SFHVURJKSA-N 303.833 4.286 0 40 DIAB COCCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 36614068 IIZYXJIADFYAIY-UHFFFAOYSA-N 321.371 4.146 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)NCCCOCC1CC1 40526095 XVOMULAJDYLGRL-UHFFFAOYSA-N 304.434 4.057 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1ccc(Cl)cc1Cl 43209801 LOAMENJERPVGKK-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1cc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)no1 56327758 QWQGGPPBEZKORD-UHFFFAOYSA-N 313.401 4.173 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 59351686 PBUBEUHQRJUSHZ-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)s1 66413319 XUEGKKYATSYWMB-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB O=Cc1ccc2nc(-c3ccc(Br)cc3)oc2c1 70461582 QCBUPKMTUQCJHT-UHFFFAOYSA-N 302.127 4.070 0 40 DIAB CCN(CC)Cc1ccccc1NCc1ncc(C(C)C)o1 72312460 VMTIGBZAOQMQFV-UHFFFAOYSA-N 301.434 4.252 0 40 DIAB CCc1ccsc1CNC(=O)[C@H]1C[C@@H]1c1ccc(C)s1 75110335 CECXZHVJNFPSLM-STQMWFEESA-N 305.468 4.100 0 40 DIAB Cc1ccccc1NCc1ccc(I)cc1 88272425 ANMDWUBRSQVEKN-UHFFFAOYSA-N 323.177 4.212 0 40 DIAB O=C(O)c1cc(-c2ccccc2)nc2cc(F)c(Cl)cc12 92773039 JTFZVEFZSZYAGV-UHFFFAOYSA-N 301.704 4.393 0 40 DIAB O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1C[C@H]1c1cccnc1 96410518 SEJVVYVOLYCSMA-RBUKOAKNSA-N 321.424 4.178 0 40 DIAB CC1=C(C)C[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 104732448 NEAOHZLVBJQPSH-VXGBXAGGSA-N 324.207 4.229 0 40 DIAB CC(C)=CCC/C(C)=C/CC/C(C)=C(/O)CP(=O)(O)O 113210651 ACBOJOPFHNLMLX-BBXOWAOSSA-N 302.351 4.469 0 40 DIAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccccc2OC)c1 223853783 PUGSFOXKANCVBC-OUKQBFOZSA-N 323.436 4.150 0 40 DIAB CC(C)Oc1cccc(NC(=O)CCc2ccccc2F)c1 224571237 QLNWFPCPEDPIHT-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB CCOc1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 225070234 RLZNUHOXFPIUMX-UHFFFAOYSA-N 323.436 4.214 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1cccnc1-c1ccsc1 225644362 ROOVBUMLWHCKPE-CMDGGOBGSA-N 320.417 4.140 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1 225712682 JMVFRHZUAILXIF-DNVCBOLYSA-N 319.445 4.399 0 40 DIAB O=C(CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 255187861 HFPAHSBARVJUCC-UHFFFAOYSA-N 308.164 4.205 0 40 DIAB C[C@H](Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1 390232058 HUDXGFBNBSGIGG-YFKPBYRVSA-N 315.516 4.278 0 40 DIAB CCC(CC)n1nc(C(=O)N2CCC(CC)(CC)C2)cc1C 537357836 KJFIDCTVSVWEAG-UHFFFAOYSA-N 305.466 4.205 0 40 DIAB O=C(Nc1ccccc1C(=O)O)c1ccc(C2CCCC2)cc1 583651312 JGYQGMYDXMQGIW-UHFFFAOYSA-N 309.365 4.295 0 40 DIAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C1CC1 567796 KFJLDHQDRBVLKO-UHFFFAOYSA-N 310.378 4.017 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 579748 HRKLMMSGNCTGRI-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB COc1cc(NCCCCCNC(C)(C)C)c2ncccc2c1 1873657 DNPLSMGKLHAIPY-UHFFFAOYSA-N 315.461 4.214 0 40 DIAB Cc1ccc2c(-c3oc4ccccc4c3N)cc(=O)oc2c1C 2128417 ZADGGWGKTTXYAC-UHFFFAOYSA-N 305.333 4.405 0 40 DIAB biogenic COc1ccccc1C(=O)CCc1cccc(Br)c1 2516696 NQSRGYMGJGLMOW-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB CCC[C@@H]1C2=C(OC(=O)C1(C)C)c1ccc(OC)cc1CC2 3850192 FRIZANYPWBEYHQ-MRXNPFEDSA-N 300.398 4.352 0 40 DIAB biogenic C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4023052 XWALNWXLMVGSFR-MUJBESKKSA-N 300.442 4.045 0 40 DIAB biogenic CC[C@H]1CN1P(=O)(Oc1ccc(Cl)cc1)N1C[C@@H]1CC 4802637 NFZXLYSASXHKHZ-YQQSWPFXSA-N 314.753 4.015 0 40 DIAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCC1 5422652 PCIAQQFJEITSHM-UHFFFAOYSA-N 322.795 4.401 0 40 DIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccccc1 6337160 YVNAROZGPQCWBG-CQSZACIVSA-N 305.377 4.339 0 40 DIAB CCOc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 6340814 IFNJDOOXPCCPFM-UHFFFAOYSA-N 319.401 4.345 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccsc1 7926906 WSMUPBYJDHGGBH-UHFFFAOYSA-N 316.470 4.250 0 40 DIAB Cc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 12415363 GNKHRLIFYJGAAF-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB Clc1ccc(OC[C@H]2CCCNC2)c(Cc2ccccc2)c1 14631354 IVFKBLIVRXZTLF-INIZCTEOSA-N 315.844 4.309 0 40 DIAB CCC(=O)N(C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670879 WFTWVIYXFLWGOH-FQEVSTJZSA-N 306.409 4.434 0 40 DIAB CCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 19314275 ORLARZUHOHSRIB-UHFFFAOYSA-N 311.429 4.136 0 40 DIAB COP(=O)(OC)[C@@H](NCc1ccccc1)c1ccc(F)cc1 22028089 ZBIKIDUGHLXSLB-MRXNPFEDSA-N 323.304 4.100 0 40 DIAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1cccs1 22768796 FAJAJXCWCYFCRD-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1 22975994 BXVXPTHBJYKGNA-QFBILLFUSA-N 311.425 4.338 0 40 DIAB Cc1cccn2c(NC(=O)c3ccco3)c(-c3cccs3)nc12 28225392 IXCISJGURSVQLH-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1)c1ccc(-n2cccc2)cc1 28303836 VJCDCVIXVHJKJZ-KRWDZBQOSA-N 318.420 4.287 0 40 DIAB Cc1ccc(C)c(NC(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 28304966 HKMPWZOPVIQCCZ-UHFFFAOYSA-N 306.369 4.338 0 40 DIAB O=C(O)C/C(=C/c1ccc(F)cc1)c1nc2ccccc2s1 28495886 NMTMNZSJXCTRDW-XFXZXTDPSA-N 313.353 4.451 0 40 DIAB CC(=O)c1c(C)cc(C)c(CSc2nncn2C2CC2)c1C 28656959 KHUSEBYLMCBBRB-UHFFFAOYSA-N 315.442 4.033 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 32610136 BTOQTNHIQIQEJS-NSHDSACASA-N 323.314 4.205 0 40 DIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)C)cc1 36783892 PWAJMJYYYNTFJN-UHFFFAOYSA-N 321.424 4.361 0 40 DIAB CSc1cc(-c2csc(C3CC3)n2)ccc1NC(C)=O 48374293 PFPZKGTVUXRBRB-UHFFFAOYSA-N 304.440 4.368 0 40 DIAB Cc1ncc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)s1 64007210 NPERFXIWQQZBNW-QGZVFWFLSA-N 315.486 4.145 0 40 DIAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(C)oc2C)n1 72273749 FSJYPWZMHFXBDP-CQSZACIVSA-N 304.415 4.029 0 40 DIAB O=C(Nc1cccc2[nH]ccc12)c1csc(-c2ccco2)n1 89807708 YBLBREKGLXRITK-UHFFFAOYSA-N 309.350 4.137 0 40 DIAB Cc1ccsc1[C@@H](C)NCc1nccn1Cc1ccccc1 95423416 VHDKTQZLKYZWGV-OAHLLOKOSA-N 311.454 4.152 0 40 DIAB C[C@H](N[C@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F 95986421 JHEZRMXBVUXTNG-MEDUHNTESA-N 307.388 4.136 0 40 DIAB Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 100013519 YHGHRIAZABSSGB-REPLKXPHSA-N 324.472 4.078 0 40 DIAB in-vitro CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3C)N21 222640748 ZYDSTRKZULHDRE-ZTFGCOKTSA-N 323.465 4.369 0 40 DIAB CCCCOc1ccc(C(=S)NCCc2ccccc2)cc1 408576710 QOKWLKHZTBFZOJ-UHFFFAOYSA-N 313.466 4.373 0 40 DIAB Cc1occc1CN[C@H](C)c1nc2ccccc2n1C(F)F 583652316 RHMIFNPJJCBGCQ-SNVBAGLBSA-N 305.328 4.184 0 40 DIAB c1csc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 128404 RVLPPRPTWDDXIW-UHFFFAOYSA-N 301.392 4.310 0 40 DIAB CSc1ccccc1NC(=O)COc1ccc(Cl)cc1C 226408 RDKNXNDFEASFEJ-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1ccc(Br)cc1 365026 JWDYSGPLZWKKKI-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB O=C(/C=C/c1ccccc1)OCc1ccccc1CN1C=CCC1 1716168 PVNMMULREXJMLK-OUKQBFOZSA-N 319.404 4.163 0 40 DIAB CCC(C)(C)NC(=O)CCCSc1nc2ccccc2s1 2646015 WZMDGWQCOANOEW-UHFFFAOYSA-N 322.499 4.473 0 40 DIAB CCOCc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 3547207 YMQWCMFBTJZFHH-UHFFFAOYSA-N 313.328 4.361 0 40 DIAB COc1ccc(C(C)=O)cc1CSc1ncnc2ccccc12 3580122 HRGNACNVMITGCY-UHFFFAOYSA-N 324.405 4.133 0 40 DIAB CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2OC)c1 4545067 PKHNTKSRLDIYJA-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(CC1=O)C2 4894748 KFVUFODCZDRVSS-SUKDQFRTSA-N 318.457 4.443 0 40 DIAB COc1cccc2cc(-c3nc4ccccc4s3)c(=N)oc12 5676402 BRAWPVAYKZZRPU-UHFFFAOYSA-N 308.362 4.198 0 40 DIAB Cc1cnc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 6223575 PNJUPEHIDAPXLH-AATRIKPKSA-N 312.316 4.122 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1c(C)nn(CC(C)C)c1Cl 6605895 HGSZAAIHVGNJLY-UHFFFAOYSA-N 323.799 4.201 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(F)cc1 6852834 OCRKZGGONZOJEW-CYBMUJFWSA-N 302.418 4.133 0 40 DIAB COc1ccc2cc(CNC(=O)c3cccc(C)c3C)ccc2c1 11124200 JDSDEUPDUCFTIV-UHFFFAOYSA-N 319.404 4.395 0 40 DIAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC(C)C 12401632 VPQQUCWVYCDMOV-GFCCVEGCSA-N 317.410 4.018 0 40 DIAB O=C(N[C@H]1CCCc2occc21)c1csc(-c2ccccc2)n1 12900636 OZSBAXIFCSFBKV-AWEZNQCLSA-N 324.405 4.211 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)c1 18013870 BAZHSDKSCDNHJW-CQSZACIVSA-N 301.817 4.377 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)ccc1F 20029755 VPATUXARLUGRDC-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB COc1ccc(C)cc1N[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 21364295 OJFNJOSRUZOYSI-CQSZACIVSA-N 322.408 4.477 0 40 DIAB COc1ccc(Cc2nc(-c3ccccc3)cs2)cc1OC 23624783 QBRLUMHXFHONKV-UHFFFAOYSA-N 311.406 4.418 0 40 DIAB CC(=O)c1c(C)cc(C)c(CN2CCc3ccccc3C2)c1C 25408442 TZDFISLRKAXHIP-UHFFFAOYSA-N 307.437 4.373 0 40 DIAB Cc1ccc(-c2nc(CC(=O)Nc3ccccn3)cs2)c(C)c1 27654464 FARFHABAMNOUKG-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB COc1ccccc1-c1csc(NC(=O)C2CCCCC2)n1 27756751 YRYJOQPFEWLYLX-UHFFFAOYSA-N 316.426 4.338 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 32931086 SPWBZIPYAJDDCN-ZDUSSCGKSA-N 319.351 4.396 0 40 DIAB O=C(O)c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 33507879 FBRSUMGTAWKAPW-UHFFFAOYSA-N 312.350 4.377 0 40 DIAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 40108608 DFXHPGKYHDGLNP-BEFAXECRSA-N 309.409 4.100 0 40 DIAB CCn1ccnc1SCc1cccc(OCC(F)(F)F)c1 59833569 JDZLQFZMMCQPHB-UHFFFAOYSA-N 316.348 4.136 0 40 DIAB FC(F)c1nc(NCCCc2nccs2)c2ccccc2n1 69631856 RLJAGQXRIOWPDK-UHFFFAOYSA-N 320.368 4.069 0 40 DIAB CC(C)[C@H](NCc1cccc2c1OCCCO2)c1cccs1 84456456 COUKCFQUVZQGQO-KRWDZBQOSA-N 317.454 4.396 0 40 DIAB OCc1ccc(Cl)c(NCc2csc(-c3ccco3)n2)c1 95981701 IMQPLYOWBQOGKL-UHFFFAOYSA-N 320.801 4.161 0 40 DIAB COc1ccc2oc([C@@H](C)NCc3cccnc3C)c(C)c2c1 106472360 SKDURNCCQJOIDX-CQSZACIVSA-N 310.397 4.304 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)cc1 113960001 GZZZBOQWQQKKJD-PBHICJAKSA-N 315.388 4.169 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 113960082 KCSQGEQERYZAIV-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CCOC(=O)c1ccc(OCc2ccccc2F)c(Cl)c1 216813583 MYHDERVRMRZDQF-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)c(C)c1 219490633 NMCRDJMQVJZQGA-VQIMIIECSA-N 311.425 4.338 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc2ccccc12 222570003 PEYINWYBRCUTTM-UHFFFAOYSA-N 305.381 4.314 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223219994 LPSXAOQQAAQIQS-DZGCQCFKSA-N 319.445 4.129 0 40 DIAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1 225053784 FYVOCIBZFIGAHS-KRWDZBQOSA-N 316.372 4.198 0 40 DIAB O=C(Cc1cccs1)NCCCc1cccc2ccccc12 225839850 CFNVOXIUGVVPBE-UHFFFAOYSA-N 309.434 4.193 0 40 DIAB CC1(C)C(=O)CC[C@@H]2C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 254048494 YSDQCJCKZSSBFR-OEHOEKFQSA-N 302.458 4.125 0 40 DIAB Cc1nnc2c(SCc3ccc(F)cc3)nc3ccccc3n12 1775966891 MSFDVSIJCXSFSB-UHFFFAOYSA-N 324.384 4.017 0 40 DIAB O=C(NCc1cc(-c2ccco2)cs1)Nc1cccs1 1775968862 NSKUNCGXBHRDSR-UHFFFAOYSA-N 304.396 4.391 0 40 DIAB Cc1nn(-c2nccnc2Oc2ccc(Cl)cc2)c(C)c1C 2087040359 QOBIDBOXOCXRPW-UHFFFAOYSA-N 314.776 4.033 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1 504634 SVDJADZYLLFMMQ-IZZDOVSWSA-N 316.198 4.409 0 40 DIAB CCC(=O)N(c1nnc(-c2ccccc2C)s1)C1CCCC1 1345239 CJTQYFLMDMJCDL-UHFFFAOYSA-N 315.442 4.199 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 1399480 IJHLWBFZDNDNPX-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB CCCNCCCC[C@@H](C)Nc1cc(OC)cc2cccnc12 1666880 SIJRFQQXFFREFR-OAHLLOKOSA-N 315.461 4.214 0 40 DIAB CCCCCCc1nnc(NC(=O)c2ccc(F)cc2)s1 2304980 QZERZBDUYVGFBW-UHFFFAOYSA-N 307.394 4.052 0 40 DIAB CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C[C@@H](O)C[C@H]12 4946307 YHLRRRCAVBZXEW-UPWFSPPHSA-N 300.442 4.302 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C\C(C)=C\c2ccccc2)C1=O 6390794 XZPFXOLNRBONQF-HDTTXOFKSA-N 301.411 4.468 0 40 DIAB Cc1ccc2oc(-c3cccc(NC(=O)C(F)(F)F)c3)nc2c1 8053947 UUVHGKOSSYTRQF-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CCc1cccc(C)c1NC(=O)Cc1sc(SC)nc1C 12792475 NQEPJLKULGABPY-UHFFFAOYSA-N 320.483 4.225 0 40 DIAB CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 14835443 ZINZJPAZOSTSBI-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 20194283 JGIBNPNHMYLSET-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)cc1 20459873 SBHKTVFGYALXJG-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 22526830 GRVJXNJOQXVZSD-QGZVFWFLSA-N 322.452 4.479 0 40 DIAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)C1CC1 24658843 KIEHSPLMAUMHQG-SFHVURJKSA-N 311.450 4.243 0 40 DIAB COc1ccccc1-c1csc(Cc2cn3ccccc3n2)n1 24989564 YDPCBXKHXGLDGK-UHFFFAOYSA-N 321.405 4.057 0 40 DIAB O=C(c1ccco1)N(Cc1cccc(Cl)c1)c1ccccn1 27581084 IWFHQZNQUAVZOI-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 28577414 DQGIMGFHAWSILM-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB O=C(OCc1csc(-c2cccs2)n1)c1cccc(F)c1 32671846 QBSXIFDTECHKDS-UHFFFAOYSA-N 319.382 4.368 0 40 DIAB Cc1ccc(Nc2cc(Nc3ccc(C)cc3)nc(N)n2)cc1 34581667 FVOLZISEBVMMDN-UHFFFAOYSA-N 305.385 4.163 0 40 DIAB CCOC(=O)c1nc(-c2cccc(C(F)(F)F)c2)cs1 38818184 IVVCYBXRJDUDFY-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB Cc1ccc(CN[C@@H](c2cccc(F)c2)c2nccn2C)cc1C 42204121 HDVXMIQXMRSEFY-IBGZPJMESA-N 323.415 4.055 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC1CCCCCC1 44904720 CAACQVDOJZLBGQ-KRWDZBQOSA-N 303.446 4.300 0 40 DIAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1-n1cnnc1 45920524 ILMZGGWIJUIIKL-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB Cc1cc(Cl)nc(COc2ccc(Cl)cc2Cl)n1 58043515 FOCSDLLDVMHKOB-UHFFFAOYSA-N 303.576 4.324 0 40 DIAB Cc1ccc2c(ccn2CCC(=O)Nc2cccc3[nH]ccc23)c1 70666535 GFWARTGHHULZAG-UHFFFAOYSA-N 317.392 4.460 0 40 DIAB biogenic CC(=O)c1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325990 CXCGPHSVMNKHRR-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB OCCc1ccc(NCc2cc(Cl)cc3cccnc23)cc1 89807824 AVBQJLBXQACIQJ-UHFFFAOYSA-N 312.800 4.035 0 40 DIAB O[C@@H](c1cc(F)cc(Cl)c1)c1cccc(Br)c1 95730186 XKPCQTDTKAAQBV-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@H]1C 95942306 WCXUJDUXMGBZEZ-DOMZBBRYSA-N 313.401 4.350 0 40 DIAB CC(C)CSC[C@H](C)Nc1cccc(Cn2cccn2)c1 95990762 CVZCPYAYBPUNKN-HNNXBMFYSA-N 303.475 4.121 0 40 DIAB Cc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1C 96621676 HUXCMJCYMAFQMY-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB CC(C)(C)c1ccccc1OCCNC(=O)/C=C/c1ccccc1 223665131 VYISTOLCSZAARI-BUHFOSPRSA-N 323.436 4.193 0 40 DIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C 223853941 SKNDRAQIPGFQNW-INIZCTEOSA-N 311.425 4.040 0 40 DIAB CCc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 224603361 KKSLCMHOUWMWLM-UHFFFAOYSA-N 321.342 4.127 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)nc1 225762437 IGYQWBKVCWCMSC-QGZVFWFLSA-N 313.470 4.382 0 40 DIAB O=Cc1sc2c(Br)cccc2c1C(F)(F)F 396264564 BFKXNCZHLSUVDR-UHFFFAOYSA-N 309.106 4.495 0 40 DIAB Brc1ccc(Nc2ncnc3ccccc23)cc1 144105 QHSMLFMOCOYDBD-UHFFFAOYSA-N 300.159 4.136 0 40 DIAB Cc1oc2cc(OC(=O)C3CC3)ccc2c(=O)c1-c1ccccc1 352002 XTTOGZLIHTYJLE-UHFFFAOYSA-N 320.344 4.084 0 40 DIAB biogenic CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 514144 MCVNYSPSBFUFHS-UHFFFAOYSA-N 319.351 4.280 0 40 DIAB O=C(Nc1ccc(Cl)cc1)n1cc2c(n1)-c1ccccc1CC2 1401055 NESPFZGOQLAAAK-UHFFFAOYSA-N 323.783 4.382 0 40 DIAB Cc1nc2ccccc2nc1OCc1ccc(F)cc1Cl 3448148 XAWYUJOVVIRRHE-UHFFFAOYSA-N 302.736 4.310 0 40 DIAB O=C(CN1CCCCCCC1)Nc1c(Cl)cccc1Cl 3538896 AVHFVECKOXWHCA-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB CCCNCCC[C@H](C)Nc1cc(OC)cc2c(C)ccnc12 5838839 BYIRFUCUJGFGLW-HNNXBMFYSA-N 315.461 4.132 0 40 DIAB Oc1cc2ccccc2cc1-c1nnc(S)n1-c1ccccc1 6534218 UNQYMWJOOIHYSQ-UHFFFAOYSA-N 319.389 4.082 0 40 DIAB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 6586248 IGTIGUCMIJJLCG-OWTRVTINSA-N 310.441 4.412 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@H](c2ccccc2C)CC3=O)cc1 6757783 GTKCTMJVHDNCDI-INIZCTEOSA-N 316.404 4.402 0 40 DIAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 8181730 FPHURQNSZYLRAX-HNNXBMFYSA-N 321.376 4.350 0 40 DIAB Cc1nc2ccc(Cl)cc2c(O)c1CN1CCCCCC1 8700894 AQJCYMGEHFHVAQ-UHFFFAOYSA-N 304.821 4.278 0 40 DIAB Cc1nc2c(Cl)cccc2c(O)c1CN1CCC[C@H](C)C1 8717540 XIRSHRHDGYANLR-NSHDSACASA-N 304.821 4.134 0 40 DIAB CCCCC(=O)Nc1ccccc1S[C@@H](CCC)C(=O)O 8732840 DUZFTKHIZMSSEQ-AWEZNQCLSA-N 309.431 4.161 0 40 DIAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(Cl)cc1 12422127 LWCUUMDLCMWNHK-UHFFFAOYSA-N 312.756 4.176 0 40 DIAB COc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 13972002 SOMACPPINWYXLM-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB CCCC(=O)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 14258097 AIRPOAGWCKJKBH-UHFFFAOYSA-N 322.412 4.030 0 40 DIAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736704 DSILUGRZXKRXMC-NSHDSACASA-N 318.804 4.352 0 40 DIAB Cc1c(Cl)cccc1NC(=O)C1(c2ccc(F)cc2)CC1 21695634 BDNRRFZSRRITKV-UHFFFAOYSA-N 303.764 4.458 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c(C)o1 28221075 BVQNYRFUFMFXJW-CQSZACIVSA-N 308.381 4.178 0 40 DIAB Cc1csc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)n1 31228177 FYHYTPVTBHQFSS-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB CC(=O)Nc1ccccc1OCc1coc(-c2ccc(C)cc2)n1 31677161 HDBAOJCDXZPWQG-UHFFFAOYSA-N 322.364 4.187 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC1CCCCC1 40140299 FLYDGIOEOZXVSL-UHFFFAOYSA-N 319.445 4.281 0 40 DIAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cc(Cl)c[nH]1 48951090 ROLDYPDSOZBWHS-UHFFFAOYSA-N 309.196 4.131 0 40 DIAB Cc1nc2c(N(C)[C@H](C)c3cccc4ccccc34)ncnc2o1 55120538 WVYINIBKZASLRK-GFCCVEGCSA-N 318.380 4.277 0 40 DIAB CO[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 57346849 JBVVVYUKSWADHM-MRXNPFEDSA-N 324.405 4.136 0 40 DIAB CCc1ccc(CNC(=O)Nc2nc3ccccc3s2)s1 58223188 CLIMTNOHMZJSAY-UHFFFAOYSA-N 317.439 4.242 0 40 DIAB COC[C@H](C)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 58328616 ULUYSVXTMGXUAO-LBPRGKRZSA-N 318.442 4.155 0 40 DIAB Clc1cc(-c2ccc(Br)cc2)nc(Cl)n1 71658302 YCFQUQJADBOSAN-UHFFFAOYSA-N 303.974 4.213 0 40 DIAB CN(Cc1cccs1)C(=O)c1ccc(Oc2ccccc2)o1 72260074 ZLMCYQWMEWTFHB-UHFFFAOYSA-N 313.378 4.406 0 40 DIAB C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl 75107185 ILMOLADZJLPHSM-GXTWGEPZSA-N 317.791 4.497 0 40 DIAB CC(C)NC(=S)N1CCC[C@H]1Cc1cccc2ccccc12 84620659 ZBSQFSAQAZLKQV-KRWDZBQOSA-N 312.482 4.130 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 91362134 IYUDWOAVKPWHRJ-FVQBIDKESA-N 311.429 4.008 0 40 DIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2)s1 95116322 LRDKDAPETMWPOH-HNNXBMFYSA-N 323.421 4.332 0 40 DIAB CC(C)(C)c1ccc(-c2nc([C@H](N)Cc3ccccc3)n[nH]2)cc1 95534908 KAGMCURQTJEWAJ-QGZVFWFLSA-N 320.440 4.012 0 40 DIAB O=C(CCCc1ccccn1)NC1(Cc2ccccc2)CCCC1 96014039 GSSZCLFJXRTWDG-UHFFFAOYSA-N 322.452 4.076 0 40 DIAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccs3)C2=C(O)C1 102752371 IJBYEYDZUFCSNY-GFCCVEGCSA-N 316.386 4.003 0 40 DIAB CCO[C@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 116390220 WQMYKBGTTBVBQN-GOSISDBHSA-N 314.381 4.126 0 40 DIAB CC(C)c1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216950225 JZMZPCYLXNPIRC-UHFFFAOYSA-N 307.349 4.151 0 40 DIAB Cc1nc(-c2ncc(C)s2)cc([C@@H]2CCCCN2C(C)C)n1 257324831 WQJRXMMTIRLSQQ-INIZCTEOSA-N 316.474 4.152 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1 48977 BEEDJFAWJSIUQX-UHFFFAOYSA-N 321.833 4.492 0 40 DIAB CCSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 413744 OPWVKUNRWVFLHJ-UHFFFAOYSA-N 306.460 4.191 0 40 DIAB COc1cccc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc12 1593684 RPQRDDMWGBAIKT-UHFFFAOYSA-N 313.740 4.262 0 40 DIAB C[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2Cl)C1 3252362 UFVXQGLLDOVARI-VIFPVBQESA-N 303.258 4.422 0 40 DIAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)O)cc1 3886266 HCQYKZYXBSVPCE-UHFFFAOYSA-N 309.390 4.413 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4073946 QGKQXZFZOIQFBI-PEDXZBLOSA-N 306.490 4.141 0 40 DIAB biogenic Cc1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 4846449 NYAGYGCCRUSEEI-CQSZACIVSA-N 321.376 4.213 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCCCCC1 5535767 GFBIMJUDEPGWAN-UHFFFAOYSA-N 309.837 4.210 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)C3CCC3)n2)cc1C 6260874 KNDKNGARMUDFIJ-UHFFFAOYSA-N 300.427 4.474 0 40 DIAB COc1ccc(SCC(=O)Nc2ccc(C)c(C)c2)cc1 6539730 RNNODYMGGKSTTQ-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCc1ccccc1 6628294 LNVJMWGESSBZBL-MDZDMXLPSA-N 319.326 4.078 0 40 DIAB CC[C@@H](C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 6657795 IHKFANIBBSIACI-CXAGYDPISA-N 307.397 4.331 0 40 DIAB CCC[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688777 QDTAUWRHINJFPM-SECBINFHSA-N 310.369 4.463 0 40 DIAB Cc1ccccc1N(CC(=O)c1ccccc1)C1=NCCCC1 8415760 BSGVKIDNXDDIMT-UHFFFAOYSA-N 306.409 4.267 0 40 DIAB CCn1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21 9185210 SCXVMHLKMPTNFY-VAWYXSNFSA-N 315.376 4.068 0 40 DIAB Cc1ccc(SCCC(=O)N2c3ccccc3C[C@@H]2C)cc1 10449666 JSCMEJKHSPCUHW-HNNXBMFYSA-N 311.450 4.455 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1F 12562209 FPRVYGLUTCBBSQ-ZDUSSCGKSA-N 312.388 4.062 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13140807 KKXZAIJLPBKAMB-CYBMUJFWSA-N 320.392 4.294 0 40 DIAB CCc1cccc(C)c1N1C=NC2(C1=O)C1CC3CC(C1)CC2C3 15414095 OXYPRGNZUPPPKC-UHFFFAOYSA-N 322.452 4.127 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)Nc1cccc(Cl)c1 18174224 DNHVTUQZUOESIX-NSHDSACASA-N 304.777 4.231 0 40 DIAB O=C(N1CC[C@@H]2CCCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 28896427 XRLSYGXRAVSIMK-XOUIXPDISA-N 301.474 4.242 0 40 DIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1 31819443 JKSCHXIWZLKVQA-MRXNPFEDSA-N 319.364 4.005 0 40 DIAB CN(CCCc1ccccc1)C(=O)Nc1ccccc1Cl 40105474 KJYMRHVHHBCTJN-UHFFFAOYSA-N 302.805 4.437 0 40 DIAB c1ccc([C@@H]2CN(Cc3cccnc3)Cc3ccccc32)cc1 43670548 YXEFCMBKCLLCHG-NRFANRHFSA-N 300.405 4.229 0 40 DIAB C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc2ccccc2c1 44563782 DWNNJLXALCHZGE-GFCCVEGCSA-N 315.369 4.054 0 40 DIAB COc1cc([C@@H](C)NC(=O)CC(C)C)ccc1OC1CCCC1 48339840 YRTDRHOMLQJJEW-CQSZACIVSA-N 319.445 4.240 0 40 DIAB O=C(NCCc1ccoc1)c1ccc(Oc2ccccc2)cc1 90607405 XKTSRVWYLQFLFT-UHFFFAOYSA-N 307.349 4.044 0 40 DIAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1 107149869 OTMLJTHEJDZRGZ-HNNXBMFYSA-N 320.392 4.152 0 40 DIAB CCOc1ccc(CCCNC(=O)c2cc3ccccc3o2)cc1 219947619 FTWYPXDSSGSBMS-UHFFFAOYSA-N 323.392 4.194 0 40 DIAB COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCC1 225629148 GWETVDKUFVBRMQ-UHFFFAOYSA-N 305.418 4.070 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)c2ccccc12 225791883 LEHUDYMMOYVCER-LJQANCHMSA-N 315.413 4.382 0 40 DIAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 226333756 FKCGKERAPQDDFP-XBXARRHUSA-N 322.191 4.071 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](C)C1 196255 GJHQTMLCQDWKHH-NSHDSACASA-N 318.804 4.176 0 40 DIAB CCOc1cc2c(cc1[C@H](CC)c1ccc(OC)cc1)OCO2 1582274 ZJUVYVKOKUZRHE-OAHLLOKOSA-N 314.381 4.365 0 40 DIAB CCCNc1cc2c(cc1Br)-c1ccccc1C2=O 1724478 ZAQOADKXFSJLMK-UHFFFAOYSA-N 316.198 4.482 0 40 DIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(F)cc1F 2737379 SBUATFPWPUTFJD-UHFFFAOYSA-N 313.303 4.136 0 40 DIAB CCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 3195033 XFQMIJRZFQHABR-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 3843695 QGKQXZFZOIQFBI-OWKOOASXSA-N 306.490 4.141 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(/C=C/c3ccccc3)s2)c1 4492097 FUPIDELLVFUEBY-ZHACJKMWSA-N 321.405 4.269 0 40 DIAB COc1cccc(-c2cn3cc(-c4ccc(F)cc4)nc3n2C)c1 4678659 COYFJGWWWBMPCV-UHFFFAOYSA-N 321.355 4.155 0 40 DIAB Cc1ccc(C(=O)CSc2nc3ccccc3s2)c(O)c1 5793709 LPYXISZXDRLEOT-UHFFFAOYSA-N 315.419 4.285 0 40 DIAB CC(C)(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6567014 SLLUOUOQRNSXBU-UHFFFAOYSA-N 313.426 4.438 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6901012 VCAAUMLCWKMYET-RIONUONSSA-N 311.347 4.414 0 40 DIAB O=C(Oc1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 8007822 KJYMLZQCAJDTSD-UHFFFAOYSA-N 316.696 4.034 0 40 DIAB Cc1sc2nc(-c3ccncc3)[nH]c(=O)c2c1-c1ccccc1 8684350 RCFYHVIKFJLTIH-UHFFFAOYSA-N 319.389 4.022 0 40 DIAB CCCCN(CC)Cc1c(C)nc2ccc(C(C)=O)cc2c1O 8717265 KKWKGDNLPMPMAQ-UHFFFAOYSA-N 314.429 4.073 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732905 ZRFYWNWURPZVRC-AAEUAGOBSA-N 309.431 4.017 0 40 DIAB Cc1csc(N(C(=O)Cc2ccsc2)c2ccccc2)n1 9751211 UMENMZOLQOMMPM-UHFFFAOYSA-N 314.435 4.420 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)N1CCc2ccccc21 10448991 ZCPRUXOCVJTPLQ-UHFFFAOYSA-N 317.841 4.163 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 19933043 XQSHZLIVSVEABZ-QGZVFWFLSA-N 301.361 4.184 0 40 DIAB CCn1c(C)nnc1SCc1ccc(Cl)cc1Cl 20034179 YBURFCPOXMMTEE-UHFFFAOYSA-N 302.230 4.206 0 40 DIAB CCN(CC)CCNCc1ccc(-c2cccc(Cl)c2C)o1 22076872 WGELCJFKLSEXLK-UHFFFAOYSA-N 320.864 4.340 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@@H]2C[C@H]2C)n1 32986016 OUMKWRGWMLDUEX-BXKDBHETSA-N 311.410 4.194 0 40 DIAB OCc1cc(Cl)cc(Cl)c1OCc1ccccc1F 35662553 JXQBJKLCOVBASC-UHFFFAOYSA-N 301.144 4.204 0 40 DIAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)s1 40074620 CFZVBFQLDJJPCJ-SSDOTTSWSA-N 301.745 4.171 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 44843384 BSINZAKPVPORIK-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1=CCCCO1)C1CC1 72997106 ILDBEKHHHSZISD-LBPRGKRZSA-N 305.805 4.086 0 40 DIAB O=C(c1c(F)cccc1F)N1CCC(c2cccs2)CC1 75157019 SCRXUSAAWAHVDV-UHFFFAOYSA-N 307.365 4.046 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C)cc1 78458675 ZJRWTFKVWNOCRY-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB Cc1nc2cc(F)c(F)cc2n1Cc1csc(C(C)C)n1 79112767 KUWJSTMUEJDJEW-UHFFFAOYSA-N 307.369 4.251 0 40 DIAB Cc1nnc(-c2cccc(N[C@H](C)CSC(C)(C)C)c2)o1 97046000 WEZSRNJYXHIUAC-LLVKDONJSA-N 305.447 4.377 0 40 DIAB Fc1c(F)c(F)c2c(c1F)[C@@H]1[C@@H]3[C@@H]4[C@H]5[C@@H]3[C@@]13CC=CC[C@]53[C@H]24 104289904 RMIRWSAILJSANE-SNZMTWPNSA-N 304.286 4.266 0 40 DIAB O=C(CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 164124781 GQYVJHWCOZSRLW-UHFFFAOYSA-N 300.226 4.198 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)nc2ccccc12 195624010 HJIQUJGNFPCGPU-SFHVURJKSA-N 320.367 4.100 0 40 DIAB CCN(CC)Cc1c(Br)cccc1Br 209774710 FWVHWQPIIWQKID-UHFFFAOYSA-N 321.056 4.053 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)N[C@H](C)c1ccc(Cl)cc1 222574779 IUFOEYKLFJHCOA-LLVKDONJSA-N 317.820 4.053 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 250048178 FNEKDQWBBFCRFP-KWBADKCTSA-N 314.376 4.180 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618256607 KSZWMXHOVYLMSX-KBPBESRZSA-N 305.780 4.337 0 40 DIAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccco2)[C@@H]3CCC1 105648 XSZKMVULZBSSNU-QGZVFWFLSA-N 320.392 4.076 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 354403 BSRWGIGDRFNTCQ-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB CCN(CC)c1ccc(NC(=O)/C=C/c2cccs2)cc1 511781 VLANIUVNDNEBQA-VAWYXSNFSA-N 300.427 4.246 0 40 DIAB COc1ccc(NC(=O)CCCSc2ccccc2)cc1 2652492 CAFIYPBACVMWQG-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB CCOC(=O)c1c(Nc2nc(C)cs2)sc2c1CCCC2 3255090 YMZVXLWUAVRLGO-UHFFFAOYSA-N 322.455 4.312 0 40 DIAB Cc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 3282389 DFTNXSBJYPSRAQ-ZDUSSCGKSA-N 308.834 4.483 0 40 DIAB CCOc1ccccc1C(=O)Nc1cc(C)c(Cl)cc1OC 3434227 ADTNWBYHKYXSKQ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 3602855 UKIXBRDYNPPSGH-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB CC(C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887772 ZSDHSBCDXLZBGK-IHPCNDPISA-N 322.404 4.095 0 40 DIAB CC(=O)Nc1ccc2c(c1)[C@H](N1CCCCC1)c1ccccc1-2 5542254 NJLDMBUQUAPTOL-HXUWFJFHSA-N 306.409 4.201 0 40 DIAB CCc1ccccc1NC(=O)CSc1ccc(F)c(F)c1 5565373 AUVZEGGZYYRVPX-UHFFFAOYSA-N 307.365 4.258 0 40 DIAB Cc1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 6339204 JHDBIWBYCLMMKW-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB Cc1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1 6786677 ZPIKVFYRXRBGNQ-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccn1 10557528 UDRAWWDNVVNANC-HNNXBMFYSA-N 318.376 4.365 0 40 DIAB Cc1nn(C2CCCC2)c2nc(-c3ccccc3)cc(C(=O)O)c12 12357800 VIYPINQPYIUHTC-UHFFFAOYSA-N 321.380 4.220 0 40 DIAB c1ccc2sc(NCc3ccc(Cn4cccn4)cc3)nc2c1 13011693 ZEZCWHRQJMRGTC-UHFFFAOYSA-N 320.421 4.153 0 40 DIAB Cc1ccc(CCCNC(=O)CCSc2ccccc2)cc1 13672046 ZUXNXLPXVNCWKZ-UHFFFAOYSA-N 313.466 4.226 0 40 DIAB C[C@H]1C[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 16014191 KWFQNVPGHHWHFY-SWLSCSKDSA-N 322.433 4.482 0 40 DIAB O=C(O)C/C(=C/c1ccsc1)c1nc2ccccc2s1 28424190 HPAFOQCFTQHSNS-XFFZJAGNSA-N 301.392 4.373 0 40 DIAB O=C1/C(=C\c2cccc(Cl)c2)N=C(S)N1c1ccccc1 34927057 NARMGNUHWXMITK-GXDHUFHOSA-N 314.797 4.014 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 36375254 XEQHVCXFKPCQNM-RLYCNOAYSA-N 318.457 4.013 0 40 DIAB endogenous,in-man CCCN1C(=O)S/C(=C\Nc2cccc3ccccc23)C1=O 36636185 BWUSEIBQSWAMID-PTNGSMBKSA-N 312.394 4.199 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)o1 45042731 WQLUJHWHKKFQOR-ZDUSSCGKSA-N 317.433 4.154 0 40 DIAB COc1cc(-c2nc3ccc(C)cc3s2)cc(OC)c1OC 45923540 MORVUWJEEGBLBG-UHFFFAOYSA-N 315.394 4.298 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)cc1Cl 48412823 LPQGGHLRQQVTKP-HNNXBMFYSA-N 306.192 4.411 0 40 DIAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 57340124 AYQMOUAZFPSPND-UHFFFAOYSA-N 318.376 4.197 0 40 DIAB COCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 58431540 MWHPEDSWIYVBAH-ZIAGYGMSSA-N 315.335 4.140 0 40 DIAB CCN(CC)C(=S)SCC(=O)c1ccc2ccccc2c1 59474477 WTRIGDSJLSGXHI-UHFFFAOYSA-N 317.479 4.382 0 40 DIAB CN(C)[C@H](CNCc1cccc2ccccc12)c1cccs1 60828369 WSRHGATZCHQSQN-GOSISDBHSA-N 310.466 4.294 0 40 DIAB CC(C)(C)OCCSc1nnc(-c2ccccc2Cl)o1 69587232 YGHXFPPWJCUYJF-UHFFFAOYSA-N 312.822 4.297 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72214689 VMNWBHRLTOOSKG-UHFFFAOYSA-N 317.433 4.206 0 40 DIAB C[C@@H](SCc1nc(C2CC2)no1)c1ncc(C(C)(C)C)o1 85228451 AWVLWMWMLKBBAI-SECBINFHSA-N 307.419 4.227 0 40 DIAB O=C(O)c1c(Br)c(Cl)nc2c(Cl)cccc12 95096648 DYTMSCBQDWTAHF-UHFFFAOYSA-N 320.957 4.002 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1Nc1cnc2ccccc2n1 95953088 VICHYBTWYRAFOG-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB O=C(CCc1ccccc1F)N(CCc1cccs1)C1CC1 96120310 UIIMZHAHIDUAGZ-UHFFFAOYSA-N 317.429 4.054 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F 126865921 KIOXSPZCFAARMQ-UHFFFAOYSA-N 313.250 4.105 0 40 DIAB Cc1nc2ccccn2c1-c1nnc(-c2ccccc2Cl)o1 216608743 BREVLFTVRWGMIO-UHFFFAOYSA-N 310.744 4.013 0 40 DIAB CCOC(=O)c1ccc(OCc2ccccc2C)c(Cl)c1 216812676 VFAGLQRNHOXLHR-UHFFFAOYSA-N 304.773 4.404 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223219488 BVUQYDFSCDYJHH-LRDDRELGSA-N 307.409 4.260 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCC1CCCCC1 224469401 HHATUTLMBBNRTA-QGZVFWFLSA-N 303.446 4.157 0 40 DIAB CCCCc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)O)cc1 225127693 UJCXDELILPBSGD-LJQANCHMSA-N 312.409 4.412 0 40 DIAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1 225960015 QJQIGKPWHLHVET-UHFFFAOYSA-N 301.411 4.205 0 40 DIAB Cc1ccc(C[C@H](N[C@H]2CC[C@H](O)CC2)c2ccc(C)cc2)cc1 560909592 OUNMSBXGIKVOKJ-FKBYEOEOSA-N 323.480 4.480 0 40 DIAB Cc1sc(NC(=O)c2ccccc2)c(CNC(C)C)c1C 359469 HDVCBLILSKPFSK-UHFFFAOYSA-N 302.443 4.115 0 40 DIAB O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1 1239011 MMNYZUCQZFQGIX-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB Cc1ccccc1OC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1 1637031 HDJIFMJPTSYWII-NVXWUHKLSA-N 304.773 4.141 0 40 DIAB c1ccc2nc(N3CCCCC3)c(N3CCCCCC3)nc2c1 1681955 VMHYXIYDQIQDCQ-UHFFFAOYSA-N 310.445 4.001 0 40 DIAB O=C(NCc1ccco1)c1ccc(CSc2ccccc2)o1 2708443 SMBMXQGUZQYQDU-UHFFFAOYSA-N 313.378 4.095 0 40 DIAB Cc1cccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)c1 4268664 JXPDWUFTHFJEIJ-OAHLLOKOSA-N 321.405 4.131 0 40 DIAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(O)cc34)oc12 4586193 CSTLCBRZGZFLDQ-UHFFFAOYSA-N 322.316 4.229 0 40 DIAB biogenic COc1ccc(Cc2nnc(/C=C/c3ccc(C)cc3)o2)cc1 4657192 DYNYPPBGZGOTAQ-FMIVXFBMSA-N 306.365 4.148 0 40 DIAB O=C(NCc1cccc(Cl)c1)c1cc2c(s1)CCCC2 5679183 NMQBDCXCHFAACR-UHFFFAOYSA-N 305.830 4.210 0 40 DIAB Fc1ccccc1-c1csc(-n2nccc2C(F)(F)F)n1 6559485 JLUCDOPIGYZZOW-UHFFFAOYSA-N 313.279 4.154 0 40 DIAB Cc1cc(NCc2ccc3c(c2)OCO3)nc2c(C)cccc12 7004598 SUMMYJOWDKJMEB-UHFFFAOYSA-N 306.365 4.192 0 40 DIAB O=C(CCc1ccccc1F)Nc1cccc(C(F)(F)F)c1 8267866 DWKTXERFOFZGPW-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1cccnc1 8346263 WOCJJQHOPPOAIE-HNNXBMFYSA-N 318.376 4.365 0 40 DIAB Cc1ccc(CSCC(=O)N2CCCc3ccccc32)cc1 10449445 YTEAQXQUKJNCHZ-UHFFFAOYSA-N 311.450 4.208 0 40 DIAB O=C(NCCCOCc1ccco1)Nc1cccc2ccccc12 11006458 DAWGDEMXVMKXGZ-UHFFFAOYSA-N 324.380 4.161 0 40 DIAB C[C@H](NC(=O)NCCc1ccccc1)c1cccc2ccccc12 12738204 YSAGULDYIHGMBM-INIZCTEOSA-N 318.420 4.443 0 40 DIAB Cc1cccc2sc(NC(=O)c3ccc(O)c(Cl)c3)nc12 13003091 HFMWGJYAIGYCOH-UHFFFAOYSA-N 318.785 4.216 0 40 DIAB Cc1ccc(CNC(=O)c2ccccc2SC(F)F)cc1 13008540 XNQAKFMOEXWZNP-UHFFFAOYSA-N 307.365 4.240 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc2ccccc12 13169731 NQTLOMHYTVMYHX-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB Fc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 13823310 KGWHKSDEWWCWEV-INIZCTEOSA-N 300.402 4.190 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1 14013226 POUDQIWCSMZARE-INIZCTEOSA-N 303.789 4.445 0 40 DIAB Cc1cc(Br)ccc1-c1ccc(/C=C/C(=O)O)o1 16283229 GBXBXCJMDZPCRQ-QPJJXVBHSA-N 307.143 4.115 0 40 DIAB CCOc1ccc(-c2cnc(NC(=O)c3ccccc3)s2)cc1 16844942 JTZJEAAXFFXCAK-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(N)cc2)c1 17025095 JSCMKUJKOLIUDT-ZDUSSCGKSA-N 300.427 4.005 0 40 DIAB CC(C)COc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 19736702 XMPGPWQDALKYMW-UHFFFAOYSA-N 318.804 4.209 0 40 DIAB Cc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)n1 24825499 GSIQRODJWUSKEH-UHFFFAOYSA-N 303.361 4.414 0 40 DIAB CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(OC)cc1 25738395 KJNCXRHZPFUQHH-SFHVURJKSA-N 315.388 4.034 0 40 DIAB O=C(CNc1cccc(OC2CCCC2)c1)Nc1ccccc1 29943645 DYOKFOWSXCUOLV-UHFFFAOYSA-N 310.397 4.059 0 40 DIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2)c1 36357293 NFZWKQOXQYNFNT-MRXNPFEDSA-N 319.364 4.005 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 36393936 CGNSLRDORSGHQM-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB Cc1ccc(CN(C(=O)CCc2c[nH]c3ccccc23)C(C)C)o1 47423654 XTKHNXXRGALWOD-UHFFFAOYSA-N 324.424 4.439 0 40 DIAB C[C@@H](Nc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1 48892931 JVJVSSIEYHWXTA-MRVPVSSYSA-N 301.699 4.322 0 40 DIAB CC(=O)Nc1cccc(-c2cc(C(F)(F)F)cc3nc[nH]c23)c1 67697177 FZPALISFZWALKG-UHFFFAOYSA-N 319.286 4.207 0 40 DIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccccn2)cc1C 71836506 YGUKEUZTCWKERY-CMKODMSKSA-N 320.436 4.166 0 40 DIAB CN(Cc1ccccc1)C(=O)CCCc1cn(C)c2ccccc12 79480731 AOMVXEPRNKPCRR-UHFFFAOYSA-N 320.436 4.160 0 40 DIAB O=C(CCC(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl 79723393 YMSFLJHDOIHCCQ-GFCCVEGCSA-N 319.754 4.216 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1occc1-c1ccccc1 89851230 UTYWPRKBCQIYRV-KRWDZBQOSA-N 319.360 4.200 0 40 DIAB Cc1ccc([C@H](CN[C@@H](C)CSC(C)(C)C)N2CCCC2)o1 97016741 GQVIHCFILKMKMY-HOCLYGCPSA-N 324.534 4.235 0 40 DIAB Cc1oc(-c2cccs2)nc1C(=O)O[C@H]1C[C@H]2CC[C@H]1C2 106861253 IOMWIJCQXSKOHB-SRVKXCTJSA-N 303.383 4.057 0 40 DIAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N(Cc1ccccc1)CC(F)(F)F 107488539 UWYNDBKNPLKPIE-KKUMJFAQSA-N 311.347 4.014 0 40 DIAB COc1cccc(CCCNC(=O)c2ccc(C)cc2Cl)c1 192342730 JCSVTCQVCDBQRI-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)C2 195559859 GMTDNUUDMZFYMG-FYINFDKHSA-N 324.468 4.432 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223224825 UGHPNAXRUVEIHY-BBRMVZONSA-N 319.445 4.431 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224130920 PPXDJSDTMCWXQF-LBPRGKRZSA-N 311.853 4.438 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC(C)(C)CC(C)(C)C 224462514 DMBRRKJVTYYTEK-MRXNPFEDSA-N 321.461 4.184 0 40 DIAB CC(C)(Cc1ccccc1)c1nc(Cc2ccccc2F)no1 545546988 NQHLRVRZSDMOTH-UHFFFAOYSA-N 310.372 4.320 0 40 DIAB Cn1cnc(-c2cccc(Oc3cccc4ccccc34)c2)n1 2362801925 YUFQMJAGTZFRIP-UHFFFAOYSA-N 301.349 4.428 0 40 DIAB COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1OC 363617 MSZSHUWNRXKJGA-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ncnc2cc(Cl)ccc12 2042640 UMLPLQQZFGHPNF-CYBMUJFWSA-N 320.868 4.206 0 40 DIAB C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(Br)cc1 2773870 OCINFMUKTHNZGE-DPGNGVPNSA-N 322.246 4.252 0 40 DIAB COc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc12 3194666 ZUBAKUUMBCSRBY-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CC(=O)Oc1ccc(/C=C/c2nc3ccccc3nc2Cl)cc1 4860638 SNJRQWUFFBZRRS-DHZHZOJOSA-N 324.767 4.379 0 40 DIAB COc1ccc2oc(=N)c(-c3nc4ccccc4s3)cc2c1 4949153 ACUGCFSVCHZTEB-UHFFFAOYSA-N 308.362 4.198 0 40 DIAB COc1ccccc1NC(=O)CSCc1cccc(Cl)c1 5555994 QSCZMICQVANUSS-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB COc1ccc(OC)c(NC(=S)Nc2ccc(Cl)cc2)c1 5738404 ILLTUJPTRQCGDH-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1 6337551 XQEYKDVGEVDAGN-SOFGYWHQSA-N 307.349 4.128 0 40 DIAB CSCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 6609587 FHOBXXIHXNKVMC-SFHVURJKSA-N 311.450 4.357 0 40 DIAB Cc1nc(N[C@H](C)c2cccnc2)c2c3c(sc2n1)CCC3 7191768 BMRVPNPVUSOZCW-SNVBAGLBSA-N 310.426 4.057 0 40 DIAB COc1ccc2oc(C(=O)N3CCCc4ccccc43)c(C)c2c1 7608307 CWOAXQODINEVAR-UHFFFAOYSA-N 321.376 4.343 0 40 DIAB CCOc1ccccc1O[C@H](C)C(=O)Nc1c(C)cccc1C 8919023 YBCJBQPJJBRDJX-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CC(C)C(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233017 HOYWYJFPRMIICE-UHFFFAOYSA-N 313.382 4.060 0 40 DIAB Cc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)c(C)c1 12274403 QCWRCVQAWQSJEA-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB CCCc1nc2c(c(C)c(C)n2Cc2ccccn2)c(N)c1CC 12325052 DOBYMGPFTJDTAD-UHFFFAOYSA-N 322.456 4.194 0 40 DIAB Cc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 12556408 CMCNVMQQPDRKFB-UHFFFAOYSA-N 309.394 4.096 0 40 DIAB COc1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 12618500 ASKCMFLQSUPNIR-UHFFFAOYSA-N 306.365 4.047 0 40 DIAB C[C@H](NC(=O)NCc1ccccc1)c1ccc2ccccc2c1 12907316 QXAMPAWSWONBAO-HNNXBMFYSA-N 304.393 4.400 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 13001209 RZPUDIDXLNKMPO-LJQANCHMSA-N 323.436 4.167 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 13932629 CYCITDGMSFWXJX-NSHDSACASA-N 320.845 4.396 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1Cl 14190628 LGOLZNRRVOUMDV-CSKARUKUSA-N 317.772 4.009 0 40 DIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1cccnc1 14213392 MOCMMNXJODUHIS-VMPITWQZSA-N 324.327 4.345 0 40 DIAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 16014188 KWFQNVPGHHWHFY-DOMZBBRYSA-N 322.433 4.482 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 17116227 KMUMDRQKPGGAGT-DLBZAZTESA-N 310.441 4.377 0 40 DIAB C[C@@H](NC(=O)c1cccs1)c1cccc(Br)c1 20025447 LDQHPFQCYKHEKV-SECBINFHSA-N 310.216 4.002 0 40 DIAB Cc1cc(C)cc(CSCC(=O)N(C)C2CCCCC2)c1 20492210 YGQGGRBFTQNCMI-UHFFFAOYSA-N 305.487 4.328 0 40 DIAB Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c(C)o1 21669300 BRSMNOQXVZBZQK-UHFFFAOYSA-N 316.357 4.411 0 40 DIAB Cc1cc(NC(=O)c2ccccc2)c(Br)c(C)c1O 26787159 PQSGVOBHOAIKFQ-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB O[C@H](c1ccccc1)[C@H](NCCc1ccccc1)c1ccccc1 31962130 SLMTURVZZPYFOH-FGZHOGPDSA-N 317.432 4.294 0 40 DIAB CSCc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)oc2ccccc12 32997995 OKZFSHCCJSVVIK-BETUJISGSA-N 317.454 4.414 0 40 DIAB C[C@@H](NC(=O)CCC1CCCC1)c1ccc(-n2ccnc2)cc1 36624535 XMHBEZODJMRSFA-OAHLLOKOSA-N 311.429 4.020 0 40 DIAB O=C(c1ccc2ccccc2c1)N(Cc1ccncc1)C1CC1 50821950 TUDASQTVIOQDME-UHFFFAOYSA-N 302.377 4.040 0 40 DIAB Cc1cc(F)ccc1NC(=S)Nc1ccc2c(c1)CCC2 53515781 XPXKHOFRJVDOCZ-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2)cc1 59843394 DNXSLYDBDJMTFX-INIZCTEOSA-N 309.409 4.280 0 40 DIAB CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 72297293 HMLODMPVOIWFJU-HUUCEWRRSA-N 318.486 4.329 0 40 DIAB CN(Cc1ccncc1Cl)[C@H](c1ccc(F)cc1)C1CC1 75765539 ZWOWWHFYZCWGNR-KRWDZBQOSA-N 304.796 4.457 0 40 DIAB Cc1nc(SC/C=C/CSc2nc(C)c(C)o2)oc1C 84061695 UZAXQYPHSWDIOC-AATRIKPKSA-N 310.444 4.337 0 40 DIAB CCc1nc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cs1 89289927 BNCICGCXUQPXKE-UHFFFAOYSA-N 323.465 4.476 0 40 DIAB Cc1cccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)c1 96759136 MKBGVRKYDHOLOU-UVTDQMKNSA-N 322.795 4.303 0 40 DIAB CC(C)(C)c1cc(O)n2ncc(-c3ccccc3Cl)c2n1 100756894 DNFWRGIMWXSDBX-UHFFFAOYSA-N 301.777 4.053 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)C2 107325853 GMTDNUUDMZFYMG-YWMUFLPLSA-N 324.468 4.432 0 40 DIAB CCOc1ccc(CNC(=O)c2ccccc2SCC)cc1 113959141 VRDACDCQRKLNKO-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB O=C(Nc1cccs1)N1CCS[C@H](c2ccco2)CC1 219430714 UDAHRDQVQSEBMC-LBPRGKRZSA-N 308.428 4.053 0 40 DIAB Cc1cccc(OCC(=O)NCc2cccc3ccccc23)c1C 222891577 SVUGPTXLRIWCHI-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225712840 AYPDKVBSXQFSAW-DNVCBOLYSA-N 319.445 4.398 0 40 DIAB COCCC1(NC(=S)Nc2ccc(C(C)C)cc2)CCCC1 225843685 ABAMQIKWXKWVPG-UHFFFAOYSA-N 320.502 4.446 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cn1 225896417 OSSFXJCSCLQQQC-SFHVURJKSA-N 322.449 4.184 0 40 DIAB CC(C)CN1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257276966 NVXDFXCKJJEGTD-MRXNPFEDSA-N 316.420 4.240 0 40 DIAB S=C(c1cccc(OCc2ccccc2)c1)N1CCCCC1 193212 QSLVIOOZSJQHCU-UHFFFAOYSA-N 311.450 4.427 0 40 DIAB COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1Cl 3472300 XFRDRSYLGFKZAG-VMPITWQZSA-N 305.736 4.140 0 40 DIAB COc1ccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 4458712 QIOJWTJKSACZQN-IBGZPJMESA-N 305.381 4.148 0 40 DIAB C[C@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)N1C1CCCCC1 4742967 NRUYMSXTSXGBII-LKZDHZESSA-N 321.464 4.328 0 40 DIAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCCCC1 4970866 SMANMEMVUHGIDP-UHFFFAOYSA-N 324.449 4.377 0 40 DIAB O=C(OCc1cccc2ccccc12)c1n[nH]c2ccccc12 5360463 FBIVGJKHPDVKMU-UHFFFAOYSA-N 302.333 4.073 0 40 DIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1c(C)noc1C 5610666 QJDQPGHTHHPECH-UHFFFAOYSA-N 306.793 4.322 0 40 DIAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 6287962 VWHWIJPFYREZBH-CQSZACIVSA-N 323.367 4.235 0 40 DIAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 7428499 DCAVEVSKIBZEMK-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Sc2ncccn2)cc1 7982551 ZZZRHSLYBBTDKB-STQMWFEESA-N 315.442 4.109 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccc2)n1 8727328 HKMUCEKXHDDZJA-XJKSGUPXSA-N 314.454 4.048 0 40 DIAB CCc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9546542 YQRAOMVESZCIHP-INIZCTEOSA-N 317.392 4.113 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(C)o1 12783498 RSGDOIRWPMNVIE-AWEZNQCLSA-N 305.374 4.002 0 40 DIAB Cc1cc2c(c(C)c1Cl)N(Cc1ccc(F)cc1)C(=O)CO2 13945819 AXNFKLFZGXGODO-UHFFFAOYSA-N 319.763 4.022 0 40 DIAB O=C(CC1CCCC1)Nc1cc2c(cc1Cl)OCCCO2 14247054 IVPHBRXAMRXGJJ-UHFFFAOYSA-N 309.793 4.020 0 40 DIAB O=C(Nc1cccc(Cl)c1Cl)Nc1cccc2nonc12 20535288 LASAPUPDLBUQKO-UHFFFAOYSA-N 323.139 4.174 0 40 DIAB c1csc(CNc2ncnc3sc4c(c23)CCCCC4)n1 32935557 KRVIMIIHNKRWFF-UHFFFAOYSA-N 316.455 4.029 0 40 DIAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=O)NC2=O)o1 33908961 AXSPWNBGFMBUBC-QPEQYQDCSA-N 319.769 4.232 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(Cl)cc2F)c(C)c1 51355902 HCEQXKICQFTXQS-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB CCCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 57503903 IKNJMIABBUCNKX-LJQANCHMSA-N 306.409 4.482 0 40 DIAB CSc1nnc(CN[C@@H](c2ccccc2)C2CCCC2)s1 69622541 YLEHGSMKEWWFEF-HNNXBMFYSA-N 319.499 4.281 0 40 DIAB CSCc1ccc(C(=O)N2CCc3cc(F)cc(F)c32)cc1 89493766 VWQBGMIOMLVQBX-UHFFFAOYSA-N 319.376 4.031 0 40 DIAB COc1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1 95347852 HDARUHQXURTTIH-UHFFFAOYSA-N 318.420 4.466 0 40 DIAB in-vitro COc1ccc([C@H]2OC3=Nc4cc(C)c(C)cc4NC3=C2O)cc1 100368211 MYNYGRCFWOTNKY-GOSISDBHSA-N 322.364 4.309 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3cccn3C)cn2)cc1C 108650584 LMCVUFMIFASEGO-UHFFFAOYSA-N 321.380 4.082 0 40 DIAB Cc1ccc(OCc2ccccc2I)cc1 196159556 GFFROBFGOMXFJT-UHFFFAOYSA-N 324.161 4.179 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225324138 RHFZGILALATDSM-JMSVASOKSA-N 312.240 4.231 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 225623845 ZPMZRAKZMXHEGN-SFHVURJKSA-N 307.434 4.318 0 40 DIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 225897356 FHTJUDOKRQCSKJ-GOSISDBHSA-N 322.449 4.184 0 40 DIAB CCN(CC)c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409100227 TXMWYHYRJIBWLC-PTNGSMBKSA-N 314.410 4.211 0 40 DIAB O=C(NCCC1CCCC1)NCc1ccccc1C(F)(F)F 514089271 LGRJRXWIZUBHNT-UHFFFAOYSA-N 314.351 4.085 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2cccs2)C1 827907498 ZPVOOXGPCLMUPE-LLVKDONJSA-N 323.820 4.099 0 40 DIAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccoc2)cs1 1888962973 OGRYHVVVPCHYTA-UHFFFAOYSA-N 315.369 4.006 0 40 DIAB O=C(NC1CCCCCCC1)c1ccc(Br)cc1 482613 DLIJUJNLPMLBED-UHFFFAOYSA-N 310.235 4.292 0 40 DIAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2C)c2ccc(O)cc12 502569 LTBDWQKXOSUXJK-UHFFFAOYSA-N 323.392 4.438 0 40 DIAB biogenic CCC[C@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@@H](CC)C3 1459234 HZIQAMGZUWSPHP-ABAIWWIYSA-N 318.486 4.419 0 40 DIAB CC(C)N(C(=O)CSc1ccc(F)cc1)c1ccccc1 2662335 AIRMDJCGDGMDKW-UHFFFAOYSA-N 303.402 4.359 0 40 DIAB CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 3553787 FPCWXVJYRNYGOC-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB Cc1cccc(Nc2nnc(S[C@H]3CCCC3=O)s2)c1C 3560921 NISMSZISNDFSNT-ZDUSSCGKSA-N 319.455 4.112 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nncs1 5101192 MAEJDPQMDDWQTO-GHMZBOCLSA-N 321.471 4.171 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12 5998876 XPYLMRIXEKTASO-CMDGGOBGSA-N 321.376 4.431 0 40 DIAB COc1ccc(CNc2cc(C)nc3ccc(OC)cc23)cc1 6949182 AGGRIJMWCXMZIX-UHFFFAOYSA-N 308.381 4.173 0 40 DIAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 8394658 XKFXDOJDOFIJEP-SFHVURJKSA-N 317.454 4.061 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)C1CC1 11210622 JUEKOXJVZWUHKU-QGZVFWFLSA-N 315.800 4.230 0 40 DIAB CC(C)[C@H](NC(=O)C1(c2ccccc2F)CC1)c1cccs1 12200413 AKISSULMZIFOQU-INIZCTEOSA-N 317.429 4.432 0 40 DIAB C1=CC[C@@H](CN2CCC(c3cc4ncccc4cn3)CC2)CC1 12224074 AXJGPOJUCDZVER-MRXNPFEDSA-N 307.441 4.166 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)c2ccccc12 12539142 QEBYUWAIKWYHPE-UHFFFAOYSA-N 312.800 4.104 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)noc1C 12615781 PNGGYOGUKUIOMH-UHFFFAOYSA-N 320.348 4.105 0 40 DIAB Cc1ccc(CNC(=O)N(C)Cc2ccc(C(C)C)cc2)cc1 12984983 MMFUBWLVVYVCPW-UHFFFAOYSA-N 310.441 4.460 0 40 DIAB O=C([C@@H]1CC=CCC1)N1CCC(c2cc3ccccc3cn2)CC1 13267746 SKQMEBPEACOBER-QGZVFWFLSA-N 320.436 4.297 0 40 DIAB COCCCNCC[C@@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 13655133 BUASARGVQPMCPF-MOPGFXCFSA-N 313.526 4.260 0 40 DIAB C[C@H](NC(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1 15619964 WDZBVVWUUDWNOM-HNNXBMFYSA-N 302.377 4.240 0 40 DIAB CC(C)[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccs1 19312189 IVTQFPYNNDIORY-PWSUYJOCSA-N 306.258 4.145 0 40 DIAB CN(C)CCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 19859156 IVNUVBLQODAIBU-KAVGSWPWSA-N 320.480 4.277 0 40 DIAB CC(C)(C)C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 21596361 BBLSOEQPPJVVFM-UHFFFAOYSA-N 324.449 4.117 0 40 DIAB CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 23042569 NHTFAJSSKXSETN-OAHLLOKOSA-N 312.438 4.472 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)s1 25297051 AZRBJMOAVJNAPZ-SNVBAGLBSA-N 311.353 4.149 0 40 DIAB O=C(CSc1ccc(-c2ccncc2)o1)Nc1ccccc1 28527516 UYJFMMGDPYKJMY-UHFFFAOYSA-N 310.378 4.072 0 40 DIAB O=c1c2sccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 48765289 JAVSQMASOUNDHZ-UHFFFAOYSA-N 322.842 4.017 0 40 DIAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc2c(c1)CCC2 58996810 PNHMZIVOFYCICC-UHFFFAOYSA-N 324.405 4.453 0 40 DIAB Cc1nc(OCc2ccccc2)ccc1C(=O)c1ccccc1 72224463 HXMTUKCTFDNAOW-UHFFFAOYSA-N 303.361 4.200 0 40 DIAB CCCN(CCC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 72281896 HBCMWAKJDLVKLJ-UHFFFAOYSA-N 324.350 4.184 0 40 DIAB CC(C)n1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cn1 72309724 SBEZUCYKFUEIQV-LLVKDONJSA-N 306.797 4.000 0 40 DIAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)O)CCOCC3)c2)c1 72344726 HARNUJGQZIDQLT-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB Cc1ccccc1-c1noc([C@H](C)Oc2cccc(F)c2F)n1 72920428 HUPSQLOTJDUHSB-NSHDSACASA-N 316.307 4.463 0 40 DIAB CCc1cccc(NC(=O)Nc2cc(NC(C)=O)ccc2C)c1 75138309 LWRSXWPGDQTKKZ-UHFFFAOYSA-N 311.385 4.160 0 40 DIAB CC(C)(C)[C@H]1CCCN(Cc2nccn2CC(F)(F)F)CC1 78759396 BIFSIJLYADAHJT-ZDUSSCGKSA-N 317.399 4.094 0 40 DIAB CC[C@@H](CSC)N(C)Cc1ccc(Cl)c2cccnc12 95459555 LEKVTNUQPZUNBU-ZDUSSCGKSA-N 308.878 4.462 0 40 DIAB Fc1ccccc1CCN[C@@H](c1ccccc1)c1cccnc1 95996207 NYJGVVLFINHJRN-FQEVSTJZSA-N 306.384 4.142 0 40 DIAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(F)c1 211746697 YUUUGDHVBYMPQA-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C)c(C)c1 223388595 DWNABTDWVQGBMB-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB Cc1ccnc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225762539 HRFCPJUWUVRLOK-QGZVFWFLSA-N 313.470 4.382 0 40 DIAB NC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 226325411 ANYNXCJUNRXGCT-UHFFFAOYSA-N 311.768 4.171 0 40 DIAB CC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260622255 SCRBBRIMBXTYJW-GDBMZVCRSA-N 303.446 4.347 0 40 DIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(C)C 408707763 DUQBDFBTKPFVSN-HNNXBMFYSA-N 318.461 4.081 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C1CC1 180476 WQODWMNQVZHQDG-UHFFFAOYSA-N 313.209 4.465 0 40 DIAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(C)c1 514261 MATYDODYSOQIAW-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB S=C(Nc1ccc(Cl)cc1)N1CCCc2ccccc21 1682797 GQKGZESGPIOMQV-UHFFFAOYSA-N 302.830 4.490 0 40 DIAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccco1 2961452 YTYJMRRWOZWRGD-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB S=C(Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 3204519 GDTALLJJKPEZOZ-UHFFFAOYSA-N 302.830 4.095 0 40 DIAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccc(Cl)cc1 5034401 ABQZUZKIJIZIHI-BJMVGYQFSA-N 311.768 4.311 0 40 DIAB CCc1cccc(C)c1NC(=O)CSCc1c(C)noc1C 6152414 GNDXQMIEPSNIBR-UHFFFAOYSA-N 318.442 4.034 0 40 DIAB Cc1ccc(NC(=O)N(Cc2ccco2)Cc2ccco2)cc1 6479541 FJBQCJFYERUKPY-UHFFFAOYSA-N 310.353 4.415 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 7917249 FFXNCCPGIHTDQY-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB c1sc(NC[C@@H]2CCCO2)nc1C12CC3CC(CC(C3)C1)C2 8133588 KITCCNKZQJEIDJ-URZJAHPPSA-N 318.486 4.202 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](C)c1ccccc1 8303872 TZWCADAUYLEVKC-AWEZNQCLSA-N 320.392 4.184 0 40 DIAB CC[C@@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732928 YZQXHVCBOSGZRW-GFCCVEGCSA-N 309.431 4.017 0 40 DIAB Cc1nn2c(c1-c1ccccc1)N[C@@H](c1ccccc1)CC2=O 10385232 SUXCNGJHRKBFQS-MRXNPFEDSA-N 303.365 4.056 0 40 DIAB S=C(NCC1(c2ccccc2)CC1)Nc1ccc(Cl)cc1 11083973 MSMLNMKRYXMSAF-UHFFFAOYSA-N 316.857 4.358 0 40 DIAB O=C(Nc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 12390979 DFDTVKJNGUOLGT-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB C[C@]1(c2ccccn2)Nc2ccccc2-c2nc3ccccc3n21 13127394 SQBZVSZHPKOQSX-FQEVSTJZSA-N 312.376 4.245 0 40 DIAB Cc1cc(OCCCC(=O)Nc2ncccc2C)ccc1Cl 18231198 OUNHYTYSMKGDIE-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB C[C@H]1CCC[C@H](N2CCN(C3C4CC5CC(C4)CC3C5)CC2)C1 19831701 IJNUPCMESUBVMN-UEPQMJSGSA-N 316.533 4.007 0 40 DIAB CC(=O)c1c(Nc2ccc(Cl)c(Cl)c2)oc(C)cc1=O 26442240 LCVKNRZOAUOSOY-UHFFFAOYSA-N 312.152 4.201 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 28730386 FBRJFKHXIVJVDO-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CCOc1ccc(Nc2nnc(C)c3ccccc23)cc1OCC 30618905 CNELXCORIYDRHA-UHFFFAOYSA-N 323.396 4.479 0 40 DIAB CCc1cccc(N[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 32753263 IDTRYOQLBSGOAJ-CYBMUJFWSA-N 312.413 4.080 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)cc1 36625222 OJCQCZMTODZLLP-CQSZACIVSA-N 301.817 4.458 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccccc1 38772361 ZVFXOYLFMUEEJW-CRAIPNDOSA-N 311.425 4.284 0 40 DIAB CC(C)(C)[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 40088639 IBXLXTZKBHWQHL-IBGZPJMESA-N 311.425 4.335 0 40 DIAB CNc1nc2c(s1)[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 49549619 XJXFFZRSFAORDR-MRVPVSSYSA-N 311.769 4.101 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)NCc1ccccc1 58131406 FHIHRBGMROQCIZ-HOTGVXAUSA-N 310.441 4.317 0 40 DIAB CC[C@H]1CCCCN1Cc1ncc(-c2ccc(OC)cc2)o1 60105681 OSTAULSTMSIVAC-HNNXBMFYSA-N 300.402 4.115 0 40 DIAB C[C@H](CNC(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 65554425 NBCWXYRRTPPVPO-GCZGRYASSA-N 322.433 4.229 0 40 DIAB CCc1ccc(-c2n[nH]c3c2cnc2ccc(OC)cc23)cc1 67341172 ONZNJYCJYCHELL-UHFFFAOYSA-N 303.365 4.349 0 40 DIAB CC(C)CC(=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72401423 QZJVIYUDEIIFBG-UHFFFAOYSA-N 309.369 4.340 0 40 DIAB COc1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1F 90600201 ZKJZTIHFXHTYHH-AWEZNQCLSA-N 317.360 4.185 0 40 DIAB C[C@H]1CSC(SCCOc2ccc(F)cc2Cl)=N1 93904831 QXHCOZBSXBGWLA-QMMMGPOBSA-N 305.827 4.082 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3c(-c4ccccc4)n[nH]c3C2)s1 95117792 LRBMSIOEUILQPW-CYBMUJFWSA-N 308.406 4.359 0 40 DIAB Cc1ccc(-c2cccc(CN3CCC[C@@H]([C@H](C)O)C3)c2)cc1 108386986 RYPDREVQBFRYQL-LAUBAEHRSA-N 309.453 4.255 0 40 DIAB CC(C)Oc1ccc(CCCNC(=O)Nc2ccccc2)cc1 222627353 XRFQKDRRHLBNGX-UHFFFAOYSA-N 312.413 4.228 0 40 DIAB Cc1ccc(CC(=O)NCCSC2CCCCC2)c(C)c1 224329987 XQBIHSSGQHEICD-UHFFFAOYSA-N 305.487 4.028 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C 225707534 FVAIOMDTJTWCCC-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225735646 YCWZWQGLXYVIEL-GOSISDBHSA-N 307.434 4.174 0 40 DIAB CCOc1cccc2cc([C@@H](C)NCC3(O)CCCCC3)oc12 540595123 NNGXTAXKYWLURT-CQSZACIVSA-N 317.429 4.177 0 40 DIAB C[C@@H]1CCc2c(sc3ncnc(NCCc4ccccc4)c23)C1 1006965 YMLWLCLBGIKDOE-CYBMUJFWSA-N 323.465 4.471 0 40 DIAB Cc1ccc(C(=O)OCc2ccccc2CN2CCCCC2)cc1 1716146 QGKGHFCTCDVVCX-UHFFFAOYSA-N 323.436 4.338 0 40 DIAB CC(=O)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 2601595 BKECRZKJPAOFPP-UHFFFAOYSA-N 310.422 4.063 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1c1ccccc1 2737543 FEQBJIFBTZDROW-ZIAGYGMSSA-N 320.219 4.413 0 40 DIAB CN(C)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3379175 BUZQOASOLXMVTJ-UHFFFAOYSA-N 316.813 4.319 0 40 DIAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 3480838 HSGPMNKPISRZSA-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1C 5868904 UTFWWIUGNWXJLO-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB O=C(Nc1nonc1-c1cccs1)c1cccc2ccccc12 6756169 OSGCQFWAOXXHTN-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1Cl)C2 13004327 SAKGVIBVZLYFLG-OAHLLOKOSA-N 303.814 4.304 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 14255847 LXYKXNUEOQQJFS-UHFFFAOYSA-N 323.845 4.402 0 40 DIAB CCC(C)(C)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 23074992 ZQAVRLWIMXNZRW-UHFFFAOYSA-N 323.506 4.012 0 40 DIAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 28287466 USPOPPLGMDRYGK-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC1=CCCCC1 30873399 CUCDBKIBQQCQGT-IBGZPJMESA-N 315.457 4.468 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1c(F)cccc1F 38753843 OPQVCFYFAMZMHH-LBPRGKRZSA-N 319.351 4.494 0 40 DIAB Cc1ccc(-c2cc3nc(-c4ccccn4)nc(O)c3s2)cc1 53852216 FDXISGCWWYDPGI-UHFFFAOYSA-N 319.389 4.434 0 40 DIAB CCCC(=O)Nc1cc(N2CCCC[C@H]2C)c(N)cc1Cl 57326728 OQWPRKXIQPEJBZ-LLVKDONJSA-N 309.841 4.040 0 40 DIAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCCC1 58157599 NSZJELLPEGWZIX-JXFKEZNVSA-N 324.468 4.137 0 40 DIAB Cc1nnc([C@H](C)N(C)Cc2ccccc2-c2ccccc2)o1 58341470 WFVZAGZOJVDLOA-AWEZNQCLSA-N 307.397 4.238 0 40 DIAB CCCC[C@H](CC)C(=O)NCCSCc1ccccc1F 58637896 MRDHKTOYCDCIAO-AWEZNQCLSA-N 311.466 4.392 0 40 DIAB COCc1ccccc1CNCc1cnc(-c2ccccc2)s1 66970779 SAVBONPMWYTBFF-UHFFFAOYSA-N 324.449 4.246 0 40 DIAB Fc1c(Cl)cccc1NC(=S)Nc1ccc2c(c1)OCO2 71326182 LQIPSHIOIXFWPH-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB Cc1nccn1Cc1cccc(CN[C@H](C)c2cccs2)c1 89735793 YJPVRLDAPPWLSE-CQSZACIVSA-N 311.454 4.152 0 40 DIAB CC(C)Oc1ccc(CNc2ccccc2-n2cccn2)cc1 89888040 YOVWLAWKWYTIEK-UHFFFAOYSA-N 307.397 4.272 0 40 DIAB O[C@@H](c1cccc(Br)c1)c1ccc(F)c(Cl)c1 95730178 FJAHBUUCLQFXTN-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB CSc1cnc2ccccc2c1NCCCc1cn[nH]c1C 96011496 PVIXPESNBZGDCW-UHFFFAOYSA-N 312.442 4.033 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 102701091 ADBLCXKVLSFZLV-KZBLUPIWSA-N 315.363 4.192 0 40 DIAB CC[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103537541 RUBTUTGMVNYVMB-XRZHQBHLSA-N 311.469 4.439 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(F)cc2F)cc1 113969463 GREXUDNBPSPXOJ-QGZVFWFLSA-N 319.351 4.323 0 40 DIAB C[C@@H](NCc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2o1 195561421 DNCLKBDGZSVGHP-SECBINFHSA-N 317.776 4.197 0 40 DIAB CCOc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 223325069 RTVFEYXPOWTZNC-LBPRGKRZSA-N 315.800 4.330 0 40 DIAB Cc1ccc(S[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225034988 BCUQPPASHNMWMF-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225307824 LBSHNRZBZXZUSE-OAHLLOKOSA-N 315.844 4.410 0 40 DIAB CC(C)C[C@H](N)C1(c2cc(Br)ccc2F)CCC1 1772714892 FLBOPFCNUGMSAX-AWEZNQCLSA-N 314.242 4.383 0 40 DIAB COc1cc2sc(NC(=O)c3ccccc3)nc2cc1Cl 557645 DMWCQXCDUCPDQO-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 1513921 USCDYTZKVPCGIQ-SECBINFHSA-N 306.818 4.174 0 40 DIAB CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccco1 2096444 FIZUPGJAHFQCFC-MRXNPFEDSA-N 303.402 4.441 0 40 DIAB biogenic O=C(CCc1ccc(F)cc1)c1ccc(Br)cc1 2517383 UHBOPSHNYYVVCX-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB CCCNC(=O)c1csc(Nc2cccc3ccccc23)n1 4688472 DBADXOQEVUNXBR-UHFFFAOYSA-N 311.410 4.180 0 40 DIAB CCOc1cccc(NC(=O)c2ncoc2-c2ccccc2C)c1 5001965 SQFYJCOOYNQJBP-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Cc1ccc([S@](=O)OCC23CC4CC(CC(C4)C2)C3)cc1 5812573 CBKSEGHZRUEILH-MWGGLYCSSA-N 304.455 4.251 0 40 DIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1F 8131653 FNZBLHWCDWAEPK-LLVKDONJSA-N 314.385 4.269 0 40 DIAB O=C(NCc1ccccc1Cl)c1ccc(-n2cccc2)cc1 8273159 JZHLQOSHZDEHRD-UHFFFAOYSA-N 310.784 4.061 0 40 DIAB CC(=O)c1cccc(NC(=O)CCSCc2ccccc2)c1 10613859 VDGBNKGPNMEBMM-UHFFFAOYSA-N 313.422 4.151 0 40 DIAB Cc1ccc(CSc2nnc(-c3cccc(C)c3)n2C)cc1 14081947 IKXUELLQNGNLPP-UHFFFAOYSA-N 309.438 4.391 0 40 DIAB c1ccc(OCCOc2ccccc2NCc2ccco2)cc1 19738439 MCYAXAMBTWEARW-UHFFFAOYSA-N 309.365 4.350 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136856 MIUZTMIPDZLQIS-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB C[C@H](Nc1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 28907653 YWBXWLFGWKEXJC-ZDUSSCGKSA-N 308.356 4.418 0 40 DIAB Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 32170701 XDGNYSVGDVPUDX-LFIBNONCSA-N 324.405 4.101 0 40 DIAB CSc1ccccc1C(=O)N[C@H](C)Cc1ccccc1Cl 32930659 PAGYAHACIODVFE-GFCCVEGCSA-N 319.857 4.423 0 40 DIAB CC(C)(C)n1cc(Nc2ncnc3c2oc2ccccc23)cn1 58159763 DTNWYWDAGYMVFJ-UHFFFAOYSA-N 307.357 4.071 0 40 DIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1nccc2ccccc12 58420087 DWDDCCKXYHLIAV-KGLIPLIRSA-N 322.330 4.086 0 40 DIAB CC(C)c1nnc(CN2Cc3ccccc3-c3ccccc3C2)o1 60372829 OSROMHLWXRCKRN-UHFFFAOYSA-N 319.408 4.376 0 40 DIAB Cc1occc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C 68774714 OFGLYHMGWBZCNN-UHFFFAOYSA-N 316.357 4.187 0 40 DIAB CC(C)CNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 76454664 BJJQKEHDVFWKSK-OAHLLOKOSA-N 320.483 4.123 0 40 DIAB O=C(NCCSc1ccc(Cl)cc1)C1=C(Cl)CCC1 89793774 UXIMDHYVDJOILL-UHFFFAOYSA-N 316.253 4.225 0 40 DIAB O=C(O)c1c(Br)c(Cl)nc2ccc(Cl)cc12 95096644 NLCVAHOMLGHSLC-UHFFFAOYSA-N 320.957 4.002 0 40 DIAB CCOc1c(Cl)cccc1NCc1ccc([S@@](C)=O)cc1 95428746 UTMQEFNYPIWDCH-NRFANRHFSA-N 323.845 4.088 0 40 DIAB Cc1cc(N[C@@H](C)c2ccc([S@](C)=O)cc2)c2ncccc2c1 97038501 DAYKRWNQNOTUMP-LFVRLGFBSA-N 324.449 4.454 0 40 DIAB CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@H]2CC[C@H](C1)N2C 100047623 JIKAVSKPMLXRKC-LIVJGKJPSA-N 324.468 4.079 0 40 DIAB C[C@H](NC(=S)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102307120 BTLFZBTVLJYAIR-CTTHAOKLSA-N 302.487 4.036 0 40 DIAB Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1C(=O)O 137196924 QBFWRSZNWOKSOT-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB CC[Si](CC)(CC)c1c(Cl)ccc(C(=O)O)c1Cl 195874297 UMZHDJNSCSVQPV-UHFFFAOYSA-N 305.277 4.407 0 40 DIAB CCC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 223299862 TZWWOCZLNWYQER-JTQLQIEISA-N 303.830 4.017 0 40 DIAB O=C(NCCSCc1ccccc1Cl)c1cccc(F)c1 224954840 LLKNCRVKCIYNPM-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641215 IBDOUZLJDBFLPV-UHFFFAOYSA-N 319.445 4.318 0 40 DIAB Cn1nc(C2CCCC2)cc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 585081168 HWKBSYPHZJYGQL-IRXDYDNUSA-N 323.440 4.210 0 40 DIAB CCCCn1cc(C(=O)NCC2(CC)CCCCC2)c(C)n1 1556114762 KBWNAYCFRMTKIH-UHFFFAOYSA-N 305.466 4.082 0 40 DIAB CCn1c(=O)c(-c2ccc3ccccc3n2)cc2ccccc21 173056 LBSLHNOAGMURQJ-UHFFFAOYSA-N 300.361 4.237 0 40 DIAB O=C(CCC1CCCC1)Nc1ccc(Br)cc1F 484223 AXZRPEVXLOCJCM-UHFFFAOYSA-N 314.198 4.497 0 40 DIAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NCc1ccccc1 521111 NEDXLYLHPZGKKX-SFHVURJKSA-N 323.367 4.257 0 40 DIAB Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 2226697 IEUOWWRXIFDGRH-UHFFFAOYSA-N 312.800 4.102 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1 3073293 FVCHXTQQPQNTOM-UHFFFAOYSA-N 310.382 4.158 0 40 DIAB COc1ccc(-c2nnc(SCc3ccc(C)cc3)o2)cc1 3458858 FSYKILSVYFUUNW-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 4651536 CUMYYBACRQOPSC-DLBZAZTESA-N 315.413 4.196 0 40 DIAB CCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4887742 UDSAQBHGHLEDPY-IHPCNDPISA-N 322.404 4.096 0 40 DIAB CCOc1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737832 VPCGWWWEGZWBHI-UHFFFAOYSA-N 319.364 4.382 0 40 DIAB O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2[nH]1 7815519 CHXANWXYFSUZRK-UHFFFAOYSA-N 324.361 4.241 0 40 DIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1COc2ccc(Cl)cc2C1 7945782 VUYACMGERYFQNZ-NSHDSACASA-N 322.191 4.183 0 40 DIAB CCCC(=O)N1N=C(c2ccc(CC)cc2)C[C@@H]1c1ccco1 8734914 GHJSKCYHVYZWES-QGZVFWFLSA-N 310.397 4.320 0 40 DIAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccccc3)n2)c1 9196374 MHLUGWUFIDGOQI-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(NC(C)=O)c1 9364908 VCMBHMJRKGBVIR-CYBMUJFWSA-N 310.397 4.411 0 40 DIAB COc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2)cc1F 9454313 XNMSMRDZHRWSKM-UHFFFAOYSA-N 322.767 4.152 0 40 DIAB Cc1ccnc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 9548503 HCHVDRLUZHXYMP-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccccc2Cl)c(C)c1 10294456 KONRWCFRNYGVNE-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13302304 GPFVBJYXFRIOFB-PIKOESSRSA-N 316.441 4.396 0 40 DIAB biogenic,in-vitro Cc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 15198998 MQIHIQZZRVGRAH-OAHLLOKOSA-N 301.386 4.101 0 40 DIAB Cc1ccc(C/N=C(\N)SCc2ccc(Cl)cc2)cc1 15513645 HKTPAORIYOZNHQ-UHFFFAOYSA-N 304.846 4.397 0 40 DIAB Cc1cc2oc(-c3ccccc3)c/c(=N\CCC(=O)O)c2cc1C 19793965 KWNSEGQLDCZXAW-HEHNFIMWSA-N 321.376 4.092 0 40 DIAB Cc1ccc(CN(C)C(=O)CSCc2ccc(F)cc2)cc1 20481583 NHORKPYVJHDCAE-UHFFFAOYSA-N 317.429 4.026 0 40 DIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCc2ccccc21 25951259 HMJKCFCHADCWGP-UHFFFAOYSA-N 322.795 4.400 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1Nc1ncnc2sccc12 32853577 BXHGJNWCJIUBIK-UHFFFAOYSA-N 321.409 4.237 0 40 DIAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 38567358 XTGRMTSBYPXDQG-INIZCTEOSA-N 314.816 4.039 0 40 DIAB COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1F 40088008 KTPOINZYIZXSQU-QGZVFWFLSA-N 315.388 4.352 0 40 DIAB CCCCNC(=O)C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 65529670 FGBPRLHXMJCDSN-AWEZNQCLSA-N 322.880 4.029 0 40 DIAB CN(Cc1csc2ccccc12)C(=O)c1c[nH]c2ncccc12 65780527 LZRSZKOCQADPOX-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB CC(C)(C)c1ccc(NC(=O)NC[C@@H](O)C2CCCCC2)cc1 70636826 SWDFVHMJGJRIQP-QGZVFWFLSA-N 318.461 4.047 0 40 DIAB CC(=O)Nc1ccc2c(-c3cc4ccccc4o3)cc(=O)oc2c1 72238419 PFZAUIYSKCPVFC-UHFFFAOYSA-N 319.316 4.165 0 40 DIAB CC[C@H](c1ccncc1)N(C)c1ccnc(-c2ccccc2)n1 77989655 TXTIMANVPHLISN-QGZVFWFLSA-N 304.397 4.126 0 40 DIAB C[C@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(N(C)C)nc1 89904667 JVMSJSQSGFJMAH-GFCCVEGCSA-N 321.827 4.133 0 40 DIAB Clc1nc2c(Br)cccc2cc1Br 95098173 XSISSCRRCXXAGC-UHFFFAOYSA-N 321.399 4.413 0 40 DIAB Cc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)cc1C 95350020 SNTFNOGSIFJDEK-KSSFIOAISA-N 323.392 4.117 0 40 DIAB CN(C)[C@@H](CNCc1cccc2ccccc12)c1cccs1 95377569 WSRHGATZCHQSQN-SFHVURJKSA-N 310.466 4.294 0 40 DIAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccco1 96117308 HFGOXLQHQIBSNZ-ZDUSSCGKSA-N 314.772 4.222 0 40 DIAB c1csc(CNCc2c[nH]nc2-c2cc3ccccc3o2)c1 97159681 ACLAZTFKPDDDPP-UHFFFAOYSA-N 309.394 4.174 0 40 DIAB C[C@H](CNC(=O)CCSCc1ccccc1)c1ccccc1 224277945 FKCHALPKPDSRHH-MRXNPFEDSA-N 313.466 4.230 0 40 DIAB CCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C 225249192 QQEQKEZHAWDAEN-UHFFFAOYSA-N 317.816 4.319 0 40 DIAB O=C(NCCCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 225631720 RZMKWECTUFMDGW-UHFFFAOYSA-N 311.400 4.067 0 40 DIAB C[C@@H]1CN(Cc2ccc3oc(-c4ccccc4)nc3c2)C[C@@H](C)O1 226317325 LOLLZEXNUKHSSC-HUUCEWRRSA-N 322.408 4.104 0 40 DIAB Clc1c(CSc2nc3ccccc3[nH]2)nc2ccccn12 83740 DUPHNPKVDPTFFN-UHFFFAOYSA-N 314.801 4.156 0 40 DIAB COc1cccc(C(=O)CCN2CC=C(c3ccccc3)CC2)c1 2633263 YEKSHLJPMAHFMZ-UHFFFAOYSA-N 321.420 4.057 0 40 DIAB CCc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 2796921 AVZQYHCMZLHHJY-UHFFFAOYSA-N 321.323 4.111 0 40 DIAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1 3128585 ILGYABCFEXHACB-UHFFFAOYSA-N 309.793 4.001 0 40 DIAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(C)c1C 3264634 AVLLTWMRMQIJAO-UHFFFAOYSA-N 318.398 4.186 0 40 DIAB O=C(CSc1cc(Cl)ccc1Cl)NC1CCCC1 3417422 NQBVKROKLJCSAP-UHFFFAOYSA-N 304.242 4.144 0 40 DIAB COc1ccc(OCCCC(=O)Nc2cccc(Cl)c2)cc1 3608041 XXPCSXGBZAEJEB-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB CCCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148150 MBJIUSFZLUPBOG-UHFFFAOYSA-N 322.364 4.424 0 40 DIAB COc1ccc([C@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 4515125 VLSQNZRVQHYUFC-MRXNPFEDSA-N 319.813 4.127 0 40 DIAB CCCCn1c(SC[C@@H]2CCCCO2)nc2ccccc21 6160104 IXQWLTWFQWTPGQ-AWEZNQCLSA-N 304.459 4.498 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCCCc1ccccc1 6609593 QSSIIVTXKYIJJI-UHFFFAOYSA-N 319.404 4.211 0 40 DIAB CCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 7263848 QYQYZGDYXCFTCM-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB Cc1ccc(C)c(NC(=S)NCCSCc2ccco2)c1 7582910 MPTXDYRNBQLVHA-UHFFFAOYSA-N 320.483 4.116 0 40 DIAB CN(C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2)c1ccccc1 9597933 YJSUHFPWIKGREK-CYBMUJFWSA-N 312.413 4.102 0 40 DIAB Cc1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1C 10370592 ZCNIJSRTWYWCJL-UHFFFAOYSA-N 308.425 4.152 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2S1 11326611 FBVGYFCAWSRHFI-AWEZNQCLSA-N 323.339 4.361 0 40 DIAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 12625782 ZQVLRDVPDPVVEW-SFHVURJKSA-N 321.424 4.389 0 40 DIAB O=C(Nc1nccs1)N(Cc1ccco1)Cc1cccs1 12812608 ZUGPHOPXBUXDLO-UHFFFAOYSA-N 319.411 4.032 0 40 DIAB c1cncc(CN(Cc2cccs2)Cc2cccs2)c1 13569691 HPAAHDDHHHXLNA-UHFFFAOYSA-N 300.452 4.407 0 40 DIAB CCc1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)cc1 13932644 KOIFXDXMZBIYGF-ZDUSSCGKSA-N 314.454 4.305 0 40 DIAB O=[S@](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 17190083 XYYQTTBHYGODQZ-UHFFFAOYSA-N 317.193 4.153 0 40 DIAB c1csc(-c2noc([C@H]3CCN(CC4CCCCC4)C3)n2)c1 19344661 YTWIZIATQNEQDN-AWEZNQCLSA-N 317.458 4.168 0 40 DIAB Cc1cc(CSc2nnc(Nc3ccccc3F)s2)no1 20037154 QXYABIQMZDRONP-UHFFFAOYSA-N 322.390 4.010 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1 21171037 JPWSEUJWSSPBPJ-IBGZPJMESA-N 324.424 4.257 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccccc1 22053873 QBWNZJSWZOSVHG-UHFFFAOYSA-N 307.328 4.217 0 40 DIAB COc1ccc(/C=C/c2nc3ccccc3n2C(F)F)cc1O 23608620 KJQCTXCXPSQBOO-VQHVLOKHSA-N 316.307 4.316 0 40 DIAB Cc1ccc([C@@H](NC[C@H](O)c2ccccc2)c2ccccc2)cc1 25664779 WRKBIPRRSXHZAA-VXKWHMMOSA-N 317.432 4.408 0 40 DIAB O=C(CNc1cccc2ccccc12)NCCC1=CCCCC1 29922799 UBRHQGKZMXOHHK-UHFFFAOYSA-N 308.425 4.258 0 40 DIAB Clc1cccc(-c2nn3c(C4CC4)nnc3s2)c1Cl 32102160 UZNYPXCFAHDDHO-UHFFFAOYSA-N 311.197 4.037 0 40 DIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl 32754742 GPDLSGWBYNRSJX-IUCAKERBSA-N 323.717 4.330 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 33626403 WTCZJNWYQUOWKW-KHPPLWFESA-N 307.374 4.481 0 40 DIAB CC(C)(C)SCCNC(=S)Nc1ccccc1Cl 33718052 JHUDVQCMQGQSKT-UHFFFAOYSA-N 302.896 4.158 0 40 DIAB Cc1cc(C)n(CCNc2nc3c(C)cc(Cl)cc3s2)n1 34936079 DRWSGZCVEQUWIE-UHFFFAOYSA-N 320.849 4.184 0 40 DIAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccccc2F)cc1 35671960 IBKUKUXCMYHWLH-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB O=C(c1cc2occc2n1Cc1ccccc1)N1CCCCCC1 36359125 WVODZVCTCPSZFC-UHFFFAOYSA-N 322.408 4.299 0 40 DIAB Clc1ccc(OCCSc2nncc3ccccc23)cc1 40057576 PARLUJNODQYWOX-UHFFFAOYSA-N 316.813 4.454 0 40 DIAB CCOc1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1 41146120 ONHPPRKGZJKNCA-UHFFFAOYSA-N 302.761 4.194 0 40 DIAB O=S(=O)(Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1 44781833 JBGKKUCSZVBKTC-UHFFFAOYSA-N 322.389 4.122 0 40 DIAB Cc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)cc1 44880233 PJQAGNLJYOLWOY-UHFFFAOYSA-N 319.857 4.399 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1 46577671 VOPXNDGYQBRQCZ-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB COc1ccc(Cl)cc1CSc1nnc(SC)s1 48393473 OIUMEZWHQDRXDY-UHFFFAOYSA-N 318.876 4.214 0 40 DIAB Cn1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cn1 60433949 UFHAAANSYIVFJZ-UHFFFAOYSA-N 324.409 4.021 0 40 DIAB c1cncc(Oc2ccc(-n3ccnc3-c3ccncc3)cc2)c1 67867471 GJCMYXLNSNOCJI-UHFFFAOYSA-N 314.348 4.122 0 40 DIAB COc1cccc(-c2cc(-c3ccc(C)cc3C)nc(N)n2)c1 71978001 URWIWOREHIAXBK-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1 72215020 HSZSPMAGUIHXRY-HNNXBMFYSA-N 319.449 4.048 0 40 DIAB C[C@H](CC(=O)N1CCc2c([nH]c3ccccc23)C1)c1ccccc1 89916695 HUSIHMIBVNWYLO-OAHLLOKOSA-N 318.420 4.246 0 40 DIAB C[C@@H](N[C@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 95423055 GKSBXOPABQKIBV-SJKOYZFVSA-N 323.358 4.268 0 40 DIAB C[C@@H](CCCCN(C)C)OC(=O)c1cc2ccccc2s1 96004156 DKPGPWDJPMASKD-ZDUSSCGKSA-N 305.443 4.179 0 40 DIAB C[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)c1nccs1 97113212 JZFHKXCLYFVUAQ-VIFPVBQESA-N 311.357 4.006 0 40 DIAB Cc1ccc(C(=O)N2CC3C[C@H]4CC2C[C@H](C3)C4)cc1Cl 100222719 VWGIEFJCEYWSSK-ILGZHXLLSA-N 303.833 4.299 0 40 DIAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219274482 RCQWLUFIHPWGKV-GOSISDBHSA-N 323.436 4.265 0 40 DIAB Cc1ccc(OCC(=O)NCc2cccc3ccccc23)cc1C 222858501 LCENALYDDDMOLB-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225480643 RRQKZNXFRMYPSP-OAHLLOKOSA-N 306.381 4.403 0 40 DIAB Cc1ccc(C)c(NC(=S)NCCCc2ccc(F)cc2)c1 225546085 PMTCXWPGPHIGQA-UHFFFAOYSA-N 316.445 4.362 0 40 DIAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccc(Cl)s1 225709028 PPPAFYKDRCTSAD-LBPRGKRZSA-N 324.833 4.219 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N(C)C2CCCCC2)o1 226303648 JGGNUONHQGPOIJ-UHFFFAOYSA-N 312.413 4.242 0 40 DIAB CCOc1ccc(NC(=O)c2cc(Cl)ccc2OCC)cc1 408585477 FNOMIQIBFCMOOQ-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB C[C@H]1CCCN(c2cc(C(F)(F)F)c3cccc(N)c3n2)C1 685938304 QEVDSMVJLHRRGQ-JTQLQIEISA-N 309.335 4.072 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1 383516 VIFIYZVDJSRFPN-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1F 438129 WTPQAJFYUKESTF-UHFFFAOYSA-N 305.352 4.345 0 40 DIAB COc1ccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 514324 FSWKOEAMGQWUBZ-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB Cc1noc2ncnc(Sc3cccc(C(F)(F)F)c3)c12 1389834 YFOHNFZDGFGMOE-UHFFFAOYSA-N 311.288 4.096 0 40 DIAB CCCCN1C(=O)N(c2ccccc2Cl)[C@@](C)(O)CC1(C)C 2272312 MFMFJCMBQSSMDO-KRWDZBQOSA-N 324.852 4.259 0 40 DIAB Cc1cc(C)n(C(=O)C2c3ccccc3Oc3ccccc32)n1 2741845 BYHGFMLLKFHYRI-UHFFFAOYSA-N 304.349 4.078 0 40 DIAB CCCC[C@H](CC)CNC(=O)COc1ccc(Cl)c(C)c1 3071623 ZHZKKMRBBGINCP-AWEZNQCLSA-N 311.853 4.360 0 40 DIAB O=C(CCc1ccccc1)Nc1nc2c(s1)Cc1ccccc1-2 4224123 NNEWKFYLEBCYII-UHFFFAOYSA-N 320.417 4.286 0 40 DIAB COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586215 XIVPZQDASBEPHH-UHFFFAOYSA-N 322.316 4.223 0 40 DIAB biogenic CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 5638322 HKJXPUNRRIAWSE-ZDUSSCGKSA-N 301.361 4.355 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)CCCCC2 6648369 CHECINXREOIPEV-UHFFFAOYSA-N 311.410 4.146 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 6657321 YDLWSJPZQLAYKR-IZZDOVSWSA-N 316.209 4.440 0 40 DIAB CCc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 7724092 QTDJFZAPZLSHCR-BUHFOSPRSA-N 302.377 4.449 0 40 DIAB CCC[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 9052292 GYJREEFMSYTWAV-OAHLLOKOSA-N 313.397 4.163 0 40 DIAB Cc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 13001172 OKLVIJYXQSIAOG-QGZVFWFLSA-N 314.816 4.080 0 40 DIAB CCCCOc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 13561319 HXINPJPOXWRLLQ-UHFFFAOYSA-N 322.408 4.319 0 40 DIAB Cc1ccc([C@H](NC(=O)c2ccncc2)c2ccccc2)cc1C 14596876 BRVZMYZOOVYYLR-HXUWFJFHSA-N 316.404 4.218 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1 14646141 WSNZBGPEUOAYCT-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB COc1ccc2cc(CN3CCc4ccccc43)c(Cl)nc2c1 14672808 NUVFDIMBIDJZDK-UHFFFAOYSA-N 324.811 4.460 0 40 DIAB CC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136842 XEYZURIQFRXAEU-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB Cc1cccc(NCc2n[nH]c(=S)n2-c2cccc(C)c2C)c1 26475765 SQNBLPOXRJSGSK-UHFFFAOYSA-N 324.453 4.467 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(-n2cccn2)cc1 27917611 GPELLUQEAIOOFT-UHFFFAOYSA-N 312.760 4.170 0 40 DIAB Cc1cc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)c(C)s1 40074303 QURSIXILLAIPMM-GFCCVEGCSA-N 312.438 4.266 0 40 DIAB CCCC[C@@H](NC(=O)c1cccs1)c1nc2ccccc2[nH]1 40165602 MYLGMARMUBYBMP-CQSZACIVSA-N 313.426 4.286 0 40 DIAB Cc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1F 41091292 PRXJITUDJZZFAE-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2Br)C1 48312034 LBUFULDSXKVZDQ-WDEREUQCSA-N 311.223 4.149 0 40 DIAB COc1ccc(NC(=O)N2CCCCCC2)c(C(F)(F)F)c1 48550233 RFSYMNBGXRZNPN-UHFFFAOYSA-N 316.323 4.122 0 40 DIAB O=C([C@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 64386734 LHKULIIYYBBOJO-GJZGRUSLSA-N 317.841 4.090 0 40 DIAB CC(C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 71805648 WJIKDYDWSGQTPC-UHFFFAOYSA-N 314.229 4.254 0 40 DIAB Clc1cccc2c1CC[C@H]2N1CCC(CN2CCCC2)CC1 84445439 HCXWYJOXDGVDOW-LJQANCHMSA-N 318.892 4.135 0 40 DIAB c1coc(-c2nnc(CN3CCC[C@H]3CC3CCCCC3)o2)c1 89799880 YXMSFIJJACEPFE-HNNXBMFYSA-N 315.417 4.264 0 40 DIAB c1cc(C2SCCS2)ccc1OCc1nnc(C2CC2)o1 96428814 YJPREQDWBWPQAR-UHFFFAOYSA-N 320.439 4.005 0 40 DIAB Nc1ccccc1C(=O)OC1c2ccccc2-c2ccccc21 216851137 MJTWKKZVSOJZPH-UHFFFAOYSA-N 301.345 4.196 0 40 DIAB O=C(CCc1ccccc1F)NCc1cccc2ccccc12 222895492 DWIYDUSHLNXBFN-UHFFFAOYSA-N 307.368 4.228 0 40 DIAB CCOC(=O)c1sc(Nc2ccc(C(C)C)cc2)nc1C 223452307 XDFYIZMECDVPET-UHFFFAOYSA-N 304.415 4.495 0 40 DIAB COC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC(C)CC1 225639800 FXISLIUQKVGXQP-UHFFFAOYSA-N 319.445 4.255 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 226265771 CCDRICFWFOLMAL-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB O=C(c1cccc(Cl)c1Cl)C(F)(F)Br 306912821 SHMTWRSTRKWRON-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCC1=CCCCC1 408678828 IIXPRBWPXCSIMP-GOSISDBHSA-N 301.430 4.159 0 40 DIAB Cc1cc(C(=O)N[C@H](C)Cc2ccc(C)s2)c2ccccc2n1 523148915 FEUKXYIRXOOODJ-GFCCVEGCSA-N 324.449 4.274 0 40 DIAB CCc1nn(C)cc1N[C@H](CC)c1ccc(OC(F)F)cc1 538580302 ALNWIHNHXHDSBM-CYBMUJFWSA-N 309.360 4.147 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@@H]2CCCOC2)cc1 553770362 OXGVKAREAZRYSV-VDGAXYAQSA-N 317.473 4.126 0 40 DIAB O[C@@H](c1cc(OCc2ccccc2)ns1)C1CCCCC1 604941632 DVYDAIPIDHRDRP-QGZVFWFLSA-N 303.427 4.336 0 40 DIAB O=C(NCc1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008441 FMNIAVMPMLLOGQ-IRXDYDNUSA-N 316.832 4.267 0 40 DIAB Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 320746 ZVBYBFPFWWXBNP-UHFFFAOYSA-N 307.397 4.452 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 382912 FPQMXNAFUAPLOS-UHFFFAOYSA-N 302.439 4.434 0 40 DIAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 425626 SYAYUGFONRNUJS-UHFFFAOYSA-N 315.380 4.122 0 40 DIAB Cn1c(SCc2c(F)cccc2F)nnc1-c1cccs1 527224 GPNFGRCBEMZMDD-UHFFFAOYSA-N 323.393 4.114 0 40 DIAB CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 557981 LKJCXOKOQCHLOT-UHFFFAOYSA-N 314.351 4.290 0 40 DIAB CC[C@]1(C)Cc2c(sc3nc(SC)[nH]c(=S)c23)CO1 1282621 DWGYWSRWBNSTPT-CYBMUJFWSA-N 312.485 4.317 0 40 DIAB Cc1ccc(Nc2ccc(C(=O)NCc3cccs3)cn2)cc1 1350502 CPJJXHDXKJJXRE-UHFFFAOYSA-N 323.421 4.125 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 1402894 LPRGFDZSQYALDB-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1ccc2[nH]cc(CCNC(=O)/C=C/c3ccccc3C)c2c1 2229905 DOUZALFMHJBZOC-CSKARUKUSA-N 318.420 4.157 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)nc1 2638846 FFXMWYPXLWKMLC-UHFFFAOYSA-N 318.804 4.293 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3285309 CLSIEHPILBUCNF-LBPRGKRZSA-N 322.330 4.453 0 40 DIAB Cc1cc(C(=O)CCC(=O)NC2CCCCCC2)c(C)s1 5062406 CYFDEZWMMLCROZ-UHFFFAOYSA-N 307.459 4.167 0 40 DIAB Cc1ccc(-c2noc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2)cc1 7424956 YNOOSZKZSPRTSN-UHFFFAOYSA-N 320.327 4.241 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1ccc(Cl)c2ncsc12 7599072 BNGQTKBVMYJREY-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB CC(C)c1ccccc1OC[C@@H](O)CNC1CCCCCCC1 8236249 FUDGEJZLFQHFBC-SFHVURJKSA-N 319.489 4.252 0 40 DIAB Cc1nc2c(C)c(Cl)ccc2c(O)c1CN1CCCCC1 8717152 GODKWEALINRRBK-UHFFFAOYSA-N 304.821 4.197 0 40 DIAB CCC[C@@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1cccs1 12200222 DBDYSZOGUPOQBL-CYBMUJFWSA-N 317.458 4.107 0 40 DIAB Clc1ccc(-c2nnc(SCc3ccccn3)o2)s1 12249128 CPVDUBWEKCXLJA-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB FC(F)(F)c1cccc(CNc2nccc(C(F)(F)F)n2)c1 12730406 ARPRVCWWSWMEDH-UHFFFAOYSA-N 321.224 4.126 0 40 DIAB CCOc1cc2c(cc1NC(=O)c1sccc1C)O[C@H](C)C2 13003574 HOKQUTBRWISTHW-LLVKDONJSA-N 317.410 4.031 0 40 DIAB CCc1ccc(OCC(=O)Nc2cccc3ccc(C)nc23)cc1 15835286 IJOOIEOYNWHEBL-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB O=C(/C=C/c1ccco1)OCc1cc2ccccc2nc1Cl 20822829 QMTAHBIYFRITTL-BQYQJAHWSA-N 313.740 4.238 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1C 22530153 GSJUHASLWASVJC-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 24068877 FEMUVFUNQUVUAC-ZIAGYGMSSA-N 317.429 4.492 0 40 DIAB Cc1ccccc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 28539832 OQTSDIDJCCKTLI-UHFFFAOYSA-N 319.286 4.142 0 40 DIAB Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)o1 32341536 FEMPESOISNVSOX-NSHDSACASA-N 300.383 4.031 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1cc2ccccc2o1 32823586 ICVKRYANELXDJU-CQSZACIVSA-N 305.377 4.343 0 40 DIAB Cc1ccc(-c2nnc([C@@H](C)Nc3cc(F)cc(F)c3)o2)cc1 40018019 PSCRCQVAQOEIAP-LLVKDONJSA-N 315.323 4.496 0 40 DIAB C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 43158365 QAHVBDFULGMSPH-WDEREUQCSA-N 300.324 4.406 0 40 DIAB Brc1ccc(SCC[C@@H]2CCCCN2)cc1 43499553 YJEGDPYEKJQVJQ-LBPRGKRZSA-N 300.265 4.073 0 40 DIAB Cc1ccccc1-c1cc(-c2nc(-c3ccccc3C)no2)[nH]n1 46914345 HGYXKPNTROEMDH-UHFFFAOYSA-N 316.364 4.411 0 40 DIAB C[C@@H](C1CC1)N(Cc1ccccc1)C[C@H](O)c1cccc(F)c1 48368795 FPDDPTLDINSGBI-YWZLYKJASA-N 313.416 4.160 0 40 DIAB CCC(=O)Nc1ccc([C@H](C)NCc2cc(F)ccc2F)cc1 48710409 YKVZDONQJMDHDB-LBPRGKRZSA-N 318.367 4.164 0 40 DIAB Fc1ccc(SCc2csc(-c3ncccn3)n2)c(F)c1 53596198 XNUCVCXAJUIXSM-UHFFFAOYSA-N 321.377 4.171 0 40 DIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(O)cc1 53748676 RDWDLMAOOCKQJX-INIZCTEOSA-N 318.323 4.039 0 40 DIAB CCOc1cccc(NC(=S)N[C@H](C)c2ccccc2)c1 54971780 AIRMDWLGSCNYPE-CYBMUJFWSA-N 300.427 4.133 0 40 DIAB O=C(/C=C/c1ccco1)O[C@H](c1ccccc1)c1ccncc1 64460073 WVIWZXNUIUSBCY-CSHXORCISA-N 305.333 4.021 0 40 DIAB COc1nc(C(=O)N(C2CCCCC2)C2CC2)cc2ccccc12 65552492 OAXYCCDPEDLCMP-UHFFFAOYSA-N 324.424 4.181 0 40 DIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1C1CC1 67143980 UHIGWHBCNSBKGR-GHMZBOCLSA-N 317.376 4.476 0 40 DIAB Cc1cccc(OCc2nnc(SCc3ccccc3)o2)c1 72110519 WZJVULCAKXIISX-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB CC(C)CN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216065 IJFPYAXUXZNHSS-SFHVURJKSA-N 301.478 4.255 0 40 DIAB COC[C@H](N[C@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 97017182 QDQIJUZWMADYLC-YPMHNXCESA-N 322.474 4.380 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 103521095 QLTRCKARDKMNRT-SOUVJXGZSA-N 309.413 4.011 0 40 DIAB Fc1c(F)c(F)c2c(c1F)[C@@H]1[C@H]3[C@H]4[C@H]5[C@@H]3[C@@H]2[C@]52CC=CC[C@]412 104289900 RMIRWSAILJSANE-RIMFJMSMSA-N 304.286 4.266 0 40 DIAB CCc1ccc(-c2nc3cc(N)ccc3o2)cc1Br 216747690 RUYMIBXVMKCRBO-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)c(C)c1 222640455 RZHXCYJKHZQKJP-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB CC(C)Oc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 223962940 HHCAYGJXOKJDIU-UHFFFAOYSA-N 321.779 4.448 0 40 DIAB CC(C)c1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1 225467499 DAERWIJIARYUPI-UHFFFAOYSA-N 309.413 4.028 0 40 DIAB COc1ccc(NC(=S)Nc2ccc3ncccc3c2)cc1 408585949 LOGNBLZIQOHQHL-UHFFFAOYSA-N 309.394 4.052 0 40 DIAB CC1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 30245 FROYASGBRMDMDD-UHFFFAOYSA-N 307.393 4.183 0 40 DIAB Cc1cc(C)c(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1 252280 AAFKGCALDKMLQO-OAHLLOKOSA-N 319.408 4.009 0 40 DIAB Cc1cc(C)n2cc(COc3cccc4ccccc34)nc2n1 564613 CZTZFHVNHOWTRP-UHFFFAOYSA-N 303.365 4.078 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)NCCCc1ccccc1 2751602 CJABHCAWOAYREG-UHFFFAOYSA-N 320.392 4.013 0 40 DIAB Cc1cc2nccc([C@H](C)Oc3ccc(Cl)cc3Cl)n2n1 4050634 VCEAAZIILUQLQB-JTQLQIEISA-N 322.195 4.485 0 40 DIAB CC[C@H]1CCCCN1[C@H]1NC=Nc2sc3c(c21)CCCC3 4652769 LFIIOFGRYMHEMQ-BLLLJJGKSA-N 303.475 4.153 0 40 DIAB CCCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887741 UDSAQBHGHLEDPY-DFQSSKMNSA-N 322.404 4.096 0 40 DIAB Clc1ccc2c(NNc3cccc(Cl)n3)ccnc2c1 5740865 JADUQHHFQNHENF-UHFFFAOYSA-N 305.168 4.376 0 40 DIAB CSc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 6610658 NHZFWEYPXUNUCF-UHFFFAOYSA-N 309.793 4.131 0 40 DIAB CCc1ccc(-c2ccc(=O)n(Cc3cc(C)ccc3C)n2)cc1 7595877 HUNOGCHSQFURSZ-UHFFFAOYSA-N 318.420 4.138 0 40 DIAB O=C(OCc1nc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 8449569 KKADIGHQIPFRDP-UHFFFAOYSA-N 311.381 4.087 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732907 ZRFYWNWURPZVRC-WCQYABFASA-N 309.431 4.017 0 40 DIAB CCOc1ccc(Cc2c(C)[nH]c3c(C)cccc3c2=O)cc1 8740353 BTNGPOIDUZWVBT-UHFFFAOYSA-N 307.393 4.134 0 40 DIAB biogenic CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1 9446258 CROIQMHZMQRZPZ-UHFFFAOYSA-N 324.302 4.142 0 40 DIAB Cc1csc(NC(=O)CSc2ccc3ccccc3c2)n1 10440055 AGYPBDIEVBVBLS-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB Cc1ccc(CC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1 12773433 UYAQJRBWJFHKKW-UHFFFAOYSA-N 324.424 4.161 0 40 DIAB O=C(Nc1cnc2ccccc2c1)Nc1cnc2ccccc2c1 12790818 HBJNXKDEYPFQLJ-UHFFFAOYSA-N 314.348 4.427 0 40 DIAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)cc1F 12907649 OGAZAJZELRLEEN-CQSZACIVSA-N 323.339 4.071 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1C 13582433 QUDARHZGBSBCIT-MRXNPFEDSA-N 311.425 4.145 0 40 DIAB O=C(O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 20158789 AFHOODZFZRZLPW-UHFFFAOYSA-N 308.120 4.500 0 40 DIAB COc1cccc(CC(=O)NC2CCC(c3ccccc3)CC2)c1 25097802 HPCWPNMZZOLSLU-UHFFFAOYSA-N 323.436 4.080 0 40 DIAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccccc1OC(F)F 25300081 RHNUEQKSFKKQFY-QMMMGPOBSA-N 315.703 4.025 0 40 DIAB C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccc(Cl)c1 31880867 ROADHYKXHSARAJ-NSHDSACASA-N 323.770 4.428 0 40 DIAB COc1ccc2occ(CC(=O)Nc3ccc(Cl)cc3)c2c1 39882399 VZUFPATXFCMMJX-UHFFFAOYSA-N 315.756 4.276 0 40 DIAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2)cc1 41125369 WWLCCOLCZXNWPN-LBPRGKRZSA-N 302.757 4.077 0 40 DIAB c1ccc2cc(-c3nc4cc(-n5cnnc5)ccc4o3)ccc2c1 45920411 ISKWRRZWOFSLLD-UHFFFAOYSA-N 312.332 4.229 0 40 DIAB CCCOc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 46181600 WNRPNCLDLHHNSM-UHFFFAOYSA-N 321.779 4.198 0 40 DIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)(C)C 61037266 BXEYNVUJPQUVTR-UHFFFAOYSA-N 308.834 4.300 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H]1c1cnc2ccccc2c1 72219574 XPOYCDCWZWMQBH-LJQANCHMSA-N 302.377 4.212 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 78457966 NZZMMZHGMLGFAA-JKSUJKDBSA-N 311.425 4.202 0 40 DIAB Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 95534167 UDNZQGHCLQMZIX-QGZVFWFLSA-N 320.440 4.126 0 40 DIAB Fc1ccc(CNCCCSC(F)(F)C(F)(F)F)cc1 95918331 UAERHNAGCMSSBE-UHFFFAOYSA-N 317.298 4.194 0 40 DIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13CC(=O)[C@](C)(CC[C@@H]21)C3 100569083 KFVUFODCZDRVSS-MNKYNPLUSA-N 318.457 4.443 0 40 DIAB Oc1cccc2c(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cccc12 103249159 NWTJRMZDIJZYEF-MKBNYLNASA-N 312.438 4.020 0 40 DIAB COc1cc(Cl)c2[nH]c(-c3cc(N)ccc3Cl)nc2c1 216917974 PXJOWLYFHLAXDV-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB O=C(O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1 216925248 FRUOXSCUYXXHBX-UHFFFAOYSA-N 308.736 4.075 0 40 DIAB CC1=CC(C)(C)N([C@@H](C(=O)O)C(C)C)c2cc(C)c(C)cc21 223209410 DEVZEOXGPCWBIR-QGZVFWFLSA-N 301.430 4.415 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C 225711761 MGKRJHAZBGHUDQ-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1Cl 225940772 KHIFMCDMGBAGIM-UHFFFAOYSA-N 315.800 4.327 0 40 DIAB CN1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccccc1 585266227 QSWNUGRGGLANIM-OAHLLOKOSA-N 315.388 4.481 0 40 DIAB O=C(NCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 36020 ZUDWCBNBXXVGFY-UHFFFAOYSA-N 317.388 4.451 0 40 DIAB Clc1ccccc1-c1nnc2sc(-c3ccccc3)nn12 530777 BJIJSJFEOIFLHS-UHFFFAOYSA-N 312.785 4.173 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CN(CC(C)C)CC(C)C 1672754 OJKDAUXQDCFKPK-UHFFFAOYSA-N 310.869 4.201 0 40 DIAB Cc1cc(OCCCC(=O)NCc2cccs2)ccc1Cl 3374262 GWAXZDMCEYTQQU-UHFFFAOYSA-N 323.845 4.185 0 40 DIAB O=C(O)c1ccccc1[C@@H](c1ccccc1)c1ccccc1O 4692426 DBXWCEYPSAOCII-LJQANCHMSA-N 304.345 4.271 0 40 DIAB Cc1noc(C)c1COC(=O)c1ccccc1Cc1ccccc1 4846847 MYIUIXADDXJIED-UHFFFAOYSA-N 321.376 4.239 0 40 DIAB CCCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5205320 LSXSQKQMLQVOEN-UHFFFAOYSA-N 314.454 4.497 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCCc2ccccc21 5442927 WZRATAXQVZQAFH-QGZVFWFLSA-N 317.791 4.215 0 40 DIAB Fc1ccc(C2=NNC(c3cccs3)=Nc3ccccc32)cc1 5528318 WVKBNZQGUBTZMI-UHFFFAOYSA-N 321.380 4.321 0 40 DIAB Cc1csc(NC(=O)c2sc(-c3ccccc3)nc2C)n1 5943274 LZLYMSQNUQOBGR-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CCOc1cc2c(cc1OCC)[C@H](C1CCCCC1)NCC2 6595646 XOUHJVHSCZPGNA-IBGZPJMESA-N 303.446 4.251 0 40 DIAB C[C@@H](NC(=O)Nc1cccc2ccccc12)[C@H](O)c1ccccc1 6852943 SIYQECJNYRMVSG-KUHUBIRLSA-N 320.392 4.083 0 40 DIAB COc1ccc(SCC(=O)Nc2cc(C)ccc2C)cc1 7276188 QPPXYZVFZDGYFL-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccccc2Cl)c1C 7597496 HFJRBIYMWMZPJA-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB CC(C)OCc1c(C(=O)Nc2ccncc2)oc2ccccc12 12551410 ZSIPWSBFHNXCGN-UHFFFAOYSA-N 310.353 4.005 0 40 DIAB Cc1cc(C(=O)Nc2ccccc2OCC(F)(F)F)c(C)o1 12764382 PUJIYXBKQDZYLB-UHFFFAOYSA-N 313.275 4.090 0 40 DIAB CC(C)(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 13215263 CBTAYQCYAPBHEU-UHFFFAOYSA-N 304.397 4.251 0 40 DIAB O=C(O)c1ccc(CSc2ccc(Br)cc2)cc1 13318294 SLWDWYXLAWQSKN-UHFFFAOYSA-N 323.211 4.440 0 40 DIAB CC(C)c1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 13494611 GMDQTXAZWSOQKQ-UHFFFAOYSA-N 300.431 4.274 0 40 DIAB Cc1ccc2cc3c(nc2c1C)OCCN(c1ccccc1)C3 13561482 FQOROFCMBWXUSL-UHFFFAOYSA-N 304.393 4.251 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 13668251 YLBGZMLDRLDUEK-GJZGRUSLSA-N 311.450 4.453 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N1c2ccccc2C[C@H]1C 16022568 UMDBRRGLFXRNHP-CYBMUJFWSA-N 318.376 4.241 0 40 DIAB CCc1nnc2c3ccccc3nc(Nc3ccc(C)c(C)c3)n12 16162619 JXECALVYEAXAJD-UHFFFAOYSA-N 317.396 4.200 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1C 18160642 HBRWDGQOBVCPAL-UHFFFAOYSA-N 317.429 4.106 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 32522176 JBURVMJEVPLEND-CVEARBPZSA-N 313.466 4.396 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccco3)ccc2c1 39969269 OWWUPFBHZCKQIQ-CQSZACIVSA-N 323.392 4.204 0 40 DIAB CSc1ccc(C(=O)CCCCCC(=O)O)c(Cl)c1 43214175 IHHLESXVGQGYIH-UHFFFAOYSA-N 300.807 4.280 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3sc(Br)nc3C2)cc1 85389964 KVHPGJXZJFCAHV-SNVBAGLBSA-N 322.227 4.127 0 40 DIAB O=C(c1cccs1)N(CCc1cccs1)Cc1ccoc1 90612280 IZPQUELLAMVZSM-UHFFFAOYSA-N 317.435 4.288 0 40 DIAB CC[C@@H](NCc1scnc1C)c1ccc(OC(F)F)cc1 95421963 BIKYMOHKIHIPBP-CYBMUJFWSA-N 312.385 4.294 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccccc3)s2)c1 224855368 GHSVYHMKQFGOEN-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@H](C)C1 225664835 LYSZVPDIPQWZFQ-LIRRHRJNSA-N 319.445 4.318 0 40 DIAB CCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352038 PHUATLNGGBBPBQ-UHFFFAOYSA-N 307.733 4.037 0 40 DIAB Nc1cc(-n2cnc(-c3ccccc3)c2)cc(C(F)(F)F)c1 228937156 WUFBTPHCVYGVOF-UHFFFAOYSA-N 303.287 4.140 0 40 DIAB CCCOc1cccc(-c2noc([C@@H]3CCC(C)(C)O3)n2)c1 554799094 YICVEXMIVLTQCS-AWEZNQCLSA-N 302.374 4.156 0 40 DIAB FC(F)C1(c2nc(-c3cccc4[nH]ccc34)no2)CCCC1 564497185 NUARHDPUPCBTTF-UHFFFAOYSA-N 303.312 4.295 0 40 DIAB CCOc1cc(OCC)c2c(-c3ccccc3)cc(=O)oc2c1 44695 LYRWQMWCLVQQMX-UHFFFAOYSA-N 310.349 4.257 0 40 DIAB biogenic CCC(CC)c1nnc(NC(=O)c2ccc(C)c(C)c2)s1 151150 LORDJSQIURWGEA-UHFFFAOYSA-N 303.431 4.311 0 40 DIAB Cc1ccc(CSCC(=O)NCc2ccccc2Cl)cc1 262807 HKQQDJFQDDEJPT-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB CC(C)C(=O)Oc1c(-c2ccccc2)oc2ccccc2c1=O 936000 YQKFYPIEPMTCCG-UHFFFAOYSA-N 308.333 4.021 0 40 DIAB CC1(C)CC(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C1 998238 OQBPZFSLEMHYNK-UHFFFAOYSA-N 300.427 4.183 0 40 DIAB CCN1CCC2(CC1)O[C@@H](c1ccccc1)[C@@H](c1ccccc1)O2 1577621 HNPJXEXYTWKYEH-BGYRXZFFSA-N 323.436 4.328 0 40 DIAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1 1621422 MKCPUDVEFDAXLS-UHFFFAOYSA-N 310.374 4.121 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2ccccc2F)c(C)c1 1913978 XXJKVFCOSIVYSC-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2cccc(C)c2C)c1 2517430 BJIKAHKPHGPVGF-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc(F)c(F)c1 3338397 XOCXUPYFILVHLG-UHFFFAOYSA-N 312.319 4.382 0 40 DIAB CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)c[nH]c1C 3407938 XWWFHXGFEJTAEM-UHFFFAOYSA-N 311.303 4.109 0 40 DIAB CC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 3603905 BJPAWGDGDNWTTO-UHFFFAOYSA-N 319.813 4.273 0 40 DIAB CCCCCC[C@H](C)n1c(-c2nonc2N)nc2ccccc21 3668594 BXDGDGHXDDNARF-LBPRGKRZSA-N 313.405 4.200 0 40 DIAB COc1ccccc1C(=O)Nc1nc2c(Cl)cccc2s1 4659278 DAKAZKWOCNKLQT-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 6489600 VVGPWOLVWHUSDZ-LBPRGKRZSA-N 317.410 4.057 0 40 DIAB CCc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811395 GWUSHYZDCRINDJ-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB CC(C)(C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688753 LLXPZANRQZYSAU-UHFFFAOYSA-N 310.369 4.463 0 40 DIAB COc1ccccc1NC(=O)c1ccc(C)c(-n2cccc2)c1 8710413 AIISSVLIEQCDGL-UHFFFAOYSA-N 306.365 4.047 0 40 DIAB COc1ccccc1NC(=O)c1ccccc1SC(F)F 8982697 NNMAADQPXGTYAP-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB Cn1/c(=N\C(=O)c2ccccc2)sc2ccc3ccccc3c21 11847332 PTYZQLSTXMBJIK-FMQUCBEESA-N 318.401 4.134 0 40 DIAB Cc1ccc(Nc2ccccc2C(=O)NCc2ccco2)cc1 12527334 HCZJQEKAOFJCKW-UHFFFAOYSA-N 306.365 4.262 0 40 DIAB Cc1cc(C(=O)NCCCO[C@H](C)c2ccccc2)sc1C 12971553 QVOMCUFLLKDJOH-CQSZACIVSA-N 317.454 4.263 0 40 DIAB O=C(c1cccc(Cl)c1)N(c1ccccn1)c1ccccn1 13145747 NLOWRSQMHJTFBB-UHFFFAOYSA-N 309.756 4.109 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OC(C)C)c1 14796309 KBJAKASJGZGGPO-SFHVURJKSA-N 313.397 4.270 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N1c2ccccc2C[C@@H]1C 16022569 UMDBRRGLFXRNHP-ZDUSSCGKSA-N 318.376 4.241 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N1c2ccccc2C[C@@H]1C 20493313 LMMGLDRTIOKEFE-YJBOKZPZSA-N 309.409 4.130 0 40 DIAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(O)c(Cl)c2)c1 21006554 OXGXPPWEIHWCBW-UHFFFAOYSA-N 319.788 4.301 0 40 DIAB CNCc1ccccc1Oc1ccc(Br)cc1F 34664899 SHYSQKPFKACIGB-UHFFFAOYSA-N 310.166 4.100 0 40 DIAB C[C@H](Nc1cc(F)cc(F)c1)c1nnc(-c2ccccc2)o1 40477343 VKEAWFZDSWRLIJ-JTQLQIEISA-N 301.296 4.188 0 40 DIAB CCCCOC(=O)c1cc(N)c(N2CCCC[C@H]2C)c(Cl)c1 70462596 DSCDKTDWAHPFLY-GFCCVEGCSA-N 324.852 4.258 0 40 DIAB O=C(Nc1cccc(-c2ncco2)c1)[C@@H]1C[C@H]1c1cccc(F)c1 89779614 COOIFZPGRLEHMY-DLBZAZTESA-N 322.339 4.223 0 40 DIAB CSc1cccc(C(=O)c2cccc(Br)c2)c1 95917231 DYASEIULEHRSRO-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB CCC1(OC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C2CC3CC(C2)CC1C3 100078212 WDKWRJUAIFFOII-CMFXRTGTSA-N 300.442 4.347 0 40 DIAB CC1=Nc2ccccc2/C1=N\Nc1cccc(Br)c1 101106323 HJHPKCFMGPTFAQ-CYVLTUHYSA-N 314.186 4.371 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 108421087 SKFGGLMDBKPZRC-XFFJZGRBSA-N 315.501 4.488 0 40 DIAB O=C(O)/C=C/c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 216851788 ZGPYNBADQOPLDR-BQYQJAHWSA-N 316.744 4.082 0 40 DIAB CN(CCCC(=O)O)c1ccccc1Sc1ccccc1 225004157 AHOJUBANHHCZDL-UHFFFAOYSA-N 301.411 4.139 0 40 DIAB CCO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135064 SLDBJCRUJWQRSL-MRXNPFEDSA-N 320.772 4.165 0 40 DIAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 225360992 PQMVEGHWNDYLSS-LJQANCHMSA-N 323.436 4.002 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@@H](C)C1 225660639 SLKPOYSFSLAESI-KDOFPFPSSA-N 305.418 4.009 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1C 225896600 NUHIBGSFXSSULM-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226352386 XVDTUEIGNDQXMF-UHFFFAOYSA-N 301.342 4.082 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355824 LSYNPFPTPXZKKS-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB c1csc(C2CCN(c3nc4cnccc4s3)CC2)c1 1775971796 VAZFAJLKPGXQMW-UHFFFAOYSA-N 301.440 4.137 0 40 DIAB COc1cc(O)c(-c2noc(C)c2-c2csc(C)n2)cc1C 225101 ZVUKFZQKFSTDPL-UHFFFAOYSA-N 316.382 4.105 0 40 DIAB CCCn1c(SCc2ccccc2)nc2ccccc2c1=O 408959 XCPXWUZNJOEBQA-UHFFFAOYSA-N 310.422 4.099 0 40 DIAB C[C@H](CN1CC2CCC(CC2)C1)C(=O)c1ccc(Cl)s1 1615878 QUOYCTBLNABMIY-PNESKVBLSA-N 311.878 4.342 0 40 DIAB COc1cccc(C(=O)CCc2cccc(Br)c2)c1 2516697 WVHXPWAUNKPSFQ-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB O=C(Nc1c(F)cc(F)cc1Br)C1CCCCC1 2582339 YRINQDPTGFGPQO-UHFFFAOYSA-N 318.161 4.246 0 40 DIAB CC[C@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)c1ccccc1 2694597 PPTAYKHJILTVIZ-MSOLQXFVSA-N 321.505 4.320 0 40 DIAB CCOc1ccc(-c2cnc(NCc3cccc(C)c3)n2C)cc1 4678812 CUDJZGLCGQPKRR-UHFFFAOYSA-N 321.424 4.406 0 40 DIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]32)C1 4721190 GTOPOWFQBKMBIX-SQTHQVPUSA-N 306.490 4.405 0 40 DIAB CCCCNC(=O)c1cc2sccc2n1Cc1ccccc1 4971014 QTWNRDHNWHFSTO-UHFFFAOYSA-N 312.438 4.281 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 5873146 CFYWZLCOUZQASB-IWUURBKTSA-N 315.482 4.252 0 40 DIAB CC(C)c1nnc(-c2cc3ccccc3n2Cc2cccnc2)o1 7452774 VEAYBOIOHNQJEH-UHFFFAOYSA-N 318.380 4.258 0 40 DIAB CCCCNc1cc(CCC)nc2c3c(C)cc(C)nc3nn12 8844000 JZPFUUQFWAJXRB-UHFFFAOYSA-N 311.433 4.059 0 40 DIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(F)cc2)c1 9141933 RALLIROUNKMAIJ-UHFFFAOYSA-N 320.751 4.080 0 40 DIAB O=C(Nc1nc2ncccc2cc1-c1ccccc1)C1CCCC1 11695917 MFWAADFCBLFXJH-UHFFFAOYSA-N 317.392 4.426 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 12768646 WZWHYMXNZGEHFA-BXUZGUMPSA-N 314.351 4.083 0 40 DIAB Cc1cc(F)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 12770101 CQVJANXYHYNCRF-LLVKDONJSA-N 307.752 4.194 0 40 DIAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3C)cs2)cc1 15832461 YXGOBPVUEBIITN-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccncc1Cl 15940557 OJUYYBQRKAAQEZ-UHFFFAOYSA-N 315.587 4.223 0 40 DIAB C[C@H]1CCCCN1C(=O)c1sc2c(N)cccc2c1Cl 20160171 YNIMEGOCLDNFOJ-VIFPVBQESA-N 308.834 4.152 0 40 DIAB CC(C)C[C@H](NC(c1ccccc1)c1ccccc1)[P@@H](=O)O 20444704 BIFANXYIKWJSQZ-QGZVFWFLSA-N 317.369 4.205 0 40 DIAB Cc1nnc(SCc2csc(Nc3ccccc3)n2)s1 25677710 ITXCPNKVIVMVHH-UHFFFAOYSA-N 320.468 4.339 0 40 DIAB CCOC(=O)Nc1c(-c2cccs2)nc2ccc(Cl)cn12 26687788 HUPMPMIAXSSENJ-UHFFFAOYSA-N 321.789 4.285 0 40 DIAB CCN(CC)Cc1ccc(CNc2nc3ccccc3o2)cc1 29395942 KHURLVKEPWRWRB-UHFFFAOYSA-N 309.413 4.282 0 40 DIAB Cc1ccccc1-n1ncc(C(=O)N2CCCCCC2)c1C1CC1 29735963 SQPDBJLSKGXYQH-UHFFFAOYSA-N 323.440 4.074 0 40 DIAB COc1ccc(CNc2ccccc2C)cc1Br 35038502 VDJDREDFWRIPRZ-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB Cc1ccc(-c2nc(CN(C)Cc3ccsc3)cs2)o1 42122322 VWRGLKRPQMAPLX-UHFFFAOYSA-N 304.440 4.405 0 40 DIAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)SCC(O)=N2 44893384 IESPUGYWEZQKBC-HNNXBMFYSA-N 301.415 4.266 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCCc1ccc(Cl)cc1 59475213 KRRUWVKDBAEFPL-JXMROGBWSA-N 320.219 4.366 0 40 DIAB Cc1csc([C@H](C)NC(=O)Nc2cc(Cl)ccc2F)n1 69618750 UWKRDPDEUFNYDJ-QMMMGPOBSA-N 313.785 4.127 0 40 DIAB CC(C)CNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213312 PDPYBNPLAMKHQB-OAHLLOKOSA-N 319.449 4.222 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)c1c(F)cccc1Cl 72331816 HAEHYUZPWYUGNJ-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB S=C(Nc1ccccc1)N[C@H](c1ccccc1)c1ccco1 84525056 HQWNUCUPZZZCAM-QGZVFWFLSA-N 308.406 4.356 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OC(C)C 105938934 IUNNOXJKWQAXNI-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 113960822 ZDUANKOHXOIJNU-SJORKVTESA-N 311.425 4.257 0 40 DIAB CCCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225379031 KFUULDLFVQTOGM-UHFFFAOYSA-N 306.475 4.485 0 40 DIAB CC(=O)c1sc(=Nc2ccccc2)n(Cc2ccccc2)c1C 254578568 UCFVPTKFYGKLGP-UHFFFAOYSA-N 322.433 4.341 0 40 DIAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)O)ccc3O2)cc1 257295392 QYCQPAGRTQLYDV-OAQYLSRUSA-N 324.420 4.373 0 40 DIAB CC(=O)OC(C)(C)C(=O)c1cc(Cl)cc(Cl)c1Cl 575361615 YFOZRUAZSJTVIU-UHFFFAOYSA-N 309.576 4.171 0 40 DIAB O=C(c1ccc(Br)cc1OC(F)(F)F)C1CCC1 575362647 QJANBPSYKFZIIR-UHFFFAOYSA-N 323.108 4.331 0 40 DIAB COc1ccc(Cl)cc1-c1nc(-c2cccc(C)c2)no1 382611 XISRZLRYPXFSIA-UHFFFAOYSA-N 300.745 4.374 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 383514 DTKQZLNDRJUNKH-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1C)C3 2113364 AGCCJSABFPKECG-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1 2753314 QZNKPNXKCDTODN-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(Cc1ccc(Cl)cc1Cl)N1CCc2ccccc21 3517585 RTHTVVRDESHYMB-UHFFFAOYSA-N 306.192 4.125 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1 5152383 QNMZLWCOSHOBEU-UHFFFAOYSA-N 324.405 4.368 0 40 DIAB O=C(Cc1ccccc1F)NC(c1ccccc1)c1ccccc1 5462381 AFYFFFPJKWEAJE-UHFFFAOYSA-N 319.379 4.274 0 40 DIAB Nc1c(-c2cccc(Cl)c2)cnc2c(-c3ccccc3)cnn12 5485174 LSGYGGYECBGDQD-UHFFFAOYSA-N 320.783 4.299 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 5937131 NWFLEUKRCKWXQN-CWRNSKLLSA-N 305.487 4.336 0 40 DIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1 6966431 USAMZPZVDJXLHV-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc2ccccc12 7053568 BZASMOABSJHJDA-BUHFOSPRSA-N 309.390 4.252 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(OCC(C)C)cc2)s1 7996338 YRTRIUFIELDWAC-UHFFFAOYSA-N 304.415 4.047 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC 8040669 QMCAFAXAXZZRIO-HNNXBMFYSA-N 319.788 4.145 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1C 8050259 IOCDLGJZTGERDU-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 9002117 QRZZAWUREPMEMR-UHFFFAOYSA-N 308.366 4.164 0 40 DIAB O=C(CCc1ccsc1)Nc1ccccc1OC(F)(F)F 9337212 KMUDMLFASINTCS-UHFFFAOYSA-N 315.316 4.218 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1 11636863 BMWNRKWWRZHHSZ-INIZCTEOSA-N 319.788 4.145 0 40 DIAB COc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12755420 JCAYFIYGXMYABL-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB CCCCN(C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 13003974 ULMWNWIFWRZGSK-UHFFFAOYSA-N 323.396 4.004 0 40 DIAB OCCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 13110919 SJHQERKLAJQWIZ-CAPFRKAQSA-N 313.784 4.036 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)C(C)C 17032335 AKAXVSGREFAOTG-IBGZPJMESA-N 311.425 4.281 0 40 DIAB O=C1CS[C@H](c2ccc3ccccc3n2)N1c1ccc(F)cc1 19927402 PMCWTIRQELLNJQ-GOSISDBHSA-N 324.380 4.153 0 40 DIAB Cc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CCC2 20671859 VYJBTKGIFNPMQY-UHFFFAOYSA-N 317.392 4.443 0 40 DIAB CC[C@H](NC(=O)c1cccc2ncccc12)c1ccc(C)cc1 22278109 HXCFCFSDZDYCJN-SFHVURJKSA-N 304.393 4.424 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1 22508517 VTEHAMGKXUWASO-LJQANCHMSA-N 319.404 4.314 0 40 DIAB Cc1ccc2sc(NC(=O)Cc3cccs3)nc2c1C 22673141 ZJWRXOXQSOGVJG-UHFFFAOYSA-N 302.424 4.156 0 40 DIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]2CCCC[C@H]21 25248039 UXZAFDOLHQOKQD-ZWNOBZJWSA-N 313.228 4.183 0 40 DIAB NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 28004971 IAFYLMNLVWFYIZ-UHFFFAOYSA-N 319.404 4.303 0 40 DIAB O=C(Nc1cccc(F)c1)c1ccccc1OCc1ccncc1 32034717 RQBMYXGFWROVSN-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB Cc1ccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1 35536099 XTTXEKDXXDRSOK-UHFFFAOYSA-N 324.355 4.028 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@@H]2[C@@H]1c1ccco1 36049200 XCUSOXGYBWDEPN-HNMYEQAXSA-N 324.380 4.262 0 40 DIAB C[C@@H](Sc1ncccc1Cl)C(=O)N(C)C1CCCCC1 58528716 SNWCHYPKESVSPK-LLVKDONJSA-N 312.866 4.007 0 40 DIAB c1ccc2c(c1)CCC[C@H]2Sc1nnc(NC2CC2)s1 58987103 XTYMRABYNLZBPB-CYBMUJFWSA-N 303.456 4.282 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccccc12 60114348 GLSCTOKZKXOWBM-AWEZNQCLSA-N 321.424 4.049 0 40 DIAB CC(C)c1cc(C(=O)Nc2ccccc2F)n(-c2ccccc2)n1 61720221 CXLDYKZQCDMUOC-UHFFFAOYSA-N 323.371 4.387 0 40 DIAB CC(C)Oc1ccccc1C(=O)NCc1ccc(Cl)cc1 78579829 RBDIIESZBDMSIU-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB CN(C(=O)CCc1ccncc1)c1ccc(-c2ccccc2)cc1 81120006 FPGAILGEXDFUGS-UHFFFAOYSA-N 316.404 4.344 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc3cc(F)ccc3[nH]2)C1 101342643 OCEHOAORJKBIMH-KUHUBIRLSA-N 314.404 4.348 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc3ccccc3[nH]1)C2=O 104814625 BHTMTONVMPPLBO-IXBGWNDUSA-N 300.427 4.049 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)n1cc(CO)c2ccccc21 216954461 LZPPTUUCOWOAQW-UHFFFAOYSA-N 320.175 4.129 0 40 DIAB Cc1ccnc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 225496103 CQSSTNAMYSYUHM-INIZCTEOSA-N 313.470 4.464 0 40 DIAB O=C(Nc1c(F)cccc1F)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008395 FWYXUGUCBWRIJN-STQMWFEESA-N 304.340 4.214 0 40 DIAB C[C@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 35983 CDPPLUXLEPLBEO-SMDDNHRTSA-N 324.262 4.394 0 40 DIAB Cc1ccc(C)c(NC(=O)COc2cccc3ccccc23)c1 45939 CWHYLEDLUWIMGQ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC 497056 GQLITGWPVSUQSE-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB O[C@@H](CN1CCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 1593404 VRUWHHYSJYBMSU-LBPRGKRZSA-N 308.636 4.166 0 40 DIAB CC(C)OC(=S)SC(=S)SC(=S)OC(C)C 1706846 BGWZYFFOLLOCJT-UHFFFAOYSA-N 314.544 4.158 0 40 DIAB O=S(=O)(c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 1723209 QSWUZFDEUFGFKS-HXUWFJFHSA-N 322.429 4.444 0 40 DIAB O=C(CCc1ccccc1)c1ccc(Br)cc1F 2516342 WZFGKUHXSCEYTQ-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OC 3482110 KVKLZFZRHXEVTI-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB Cc1ccn2c(NC(=O)C(C)C)c(-c3ccc(F)cc3)nc2c1 3906492 CGBWSLINIPPVGD-UHFFFAOYSA-N 311.360 4.043 0 40 DIAB CCN(Cc1ccccc1)C(=O)Nc1cn(C)c2ccccc12 5265538 GWQCKESOJCBUQK-UHFFFAOYSA-N 307.397 4.232 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 5919391 JYMVBUMEEAQHDM-NSHDSACASA-N 309.287 4.111 0 40 DIAB O=C(Nc1cccc2ccccc12)n1nnc2cc(Cl)ccc21 6238021 FUMFEKGILUPDSP-UHFFFAOYSA-N 322.755 4.318 0 40 DIAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2ccccc12 6551750 JMLQBYALXAQGAN-UHFFFAOYSA-N 323.348 4.155 0 40 DIAB CSc1cccc(NC(=O)CCOc2cccc(C)c2)c1 6867662 FFQQXKYHQHGIRB-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB COc1cc(NC(=O)c2ccc(C)c(F)c2)c(OC)cc1Cl 9453925 PHMDHOUFTFYPIE-UHFFFAOYSA-N 323.751 4.057 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)no2)cc1 11916987 DBXQGMSBNQSMDA-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 15578879 RIGOHCQBUNLIMZ-HNNXBMFYSA-N 322.191 4.244 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c1 20452637 XEHUIMQQZLVQTO-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB CCOc1ccc(-c2n[nH]c3c2cnc2ccc(F)cc23)cc1 21365416 FLVKOJOMRKNKBG-UHFFFAOYSA-N 307.328 4.316 0 40 DIAB COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 27788794 QZWWHKLBLAQIEF-UHFFFAOYSA-N 319.428 4.167 0 40 DIAB O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 35310924 OOTXKUDWKNXFFZ-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB Cc1ccsc1C(=O)N1CCCCC[C@H]1c1cccn1C 36394334 XXBVQKVFUCUTPX-HNNXBMFYSA-N 302.443 4.153 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(C(C)(C)C)no1 40067002 KCHMXGTUCJBAAY-LBPRGKRZSA-N 313.401 4.306 0 40 DIAB O=C(c1cc(Cl)c2c(c1)OCO2)N(C1CCCCC1)C1CC1 45489956 FUOOYZAVWLUFGI-UHFFFAOYSA-N 321.804 4.006 0 40 DIAB COC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 49914276 VEJPWTSUGBOLFS-UHFFFAOYSA-N 304.651 4.405 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(CC)c2)cc1 51354263 TYANPJHZAUEZTJ-UHFFFAOYSA-N 312.369 4.070 0 40 DIAB CC(C)(C)OC(=O)NC(C)(C)c1ccccc1Br 67802723 BJONNZPKPGMVOY-UHFFFAOYSA-N 314.223 4.209 0 40 DIAB COc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc(N)n1 71978100 SZTZQZCVHORYOY-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB CCCCN(CCCN1CCOC1=O)[C@@H](CC)c1ccccc1 72285251 ULNLBDMJMKYRCO-SFHVURJKSA-N 318.461 4.082 0 40 DIAB Cc1c(Cl)cccc1NC(=O)Nc1cnn(CC(C)C)c1 72309799 JYVXBYXZGRKQPD-UHFFFAOYSA-N 306.797 4.145 0 40 DIAB Cc1noc(CN[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 73644910 XVXRGLBITXCTBO-QGZVFWFLSA-N 301.434 4.162 0 40 DIAB Fc1cc2ncnc(N3CCCC34CCCCC4)c2cc1F 89764952 BAOCCZCCWXHLTC-UHFFFAOYSA-N 303.356 4.211 0 40 DIAB c1ccc2[nH]c(N3CCC(c4c[nH]c5ccccc45)CC3)nc2c1 89866589 WDYGKTAXAIITMM-UHFFFAOYSA-N 316.408 4.428 0 40 DIAB C[C@@H](CNCc1ccc(-c2ccccc2)cc1)Oc1ccccn1 95472035 PKJPMBLDXCYCPP-KRWDZBQOSA-N 318.420 4.306 0 40 DIAB CCc1ccc([C@@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)o1 97017328 DBYPQKSIMLTRTN-CHWSQXEVSA-N 311.385 4.304 0 40 DIAB Cc1ccc(CNc2cccnc2Oc2ccccc2C)cn1 97143604 FYRGUZLDWMQNLB-UHFFFAOYSA-N 305.381 4.498 0 40 DIAB CC(C)CNC(=S)Nc1ccc(Sc2ccccc2)nc1 223879201 PAUZWDAUXZSGFY-UHFFFAOYSA-N 317.483 4.175 0 40 DIAB Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225021487 PMHWAUQBTMURDV-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCCCCC1 225258200 WZAMXKDYLQWLOH-UHFFFAOYSA-N 319.408 4.246 0 40 DIAB COc1ccc(C(=O)Cc2cccs2)cc1C(F)(F)F 575360595 JMROHJPKAXJMPY-UHFFFAOYSA-N 300.301 4.201 0 40 DIAB O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1ccccc1F 1583953582 RJKCGZLKPAUAFD-UHFFFAOYSA-N 317.791 4.374 0 40 DIAB CCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 187517 LAXIADWQKSWBFE-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 348163 MHAZCQNKLXWHEG-HXUWFJFHSA-N 314.388 4.166 0 40 DIAB Clc1cccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 525861 KHLDKZKIAWXOHO-HZPDHXFCSA-N 310.788 4.078 0 40 DIAB COc1ccc(Sc2nc(-c3ccc(C)cc3)nnc2C)cc1 1400857 CIFVZCKSACVWHS-UHFFFAOYSA-N 323.421 4.315 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2c(C)cccc2C)c1 2517586 CRVPPNMFPQPWPK-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB O=C(/C=C/c1c(F)cccc1Cl)N1CCc2ccccc21 2746600 LZSWEIYZBFWUMY-CMDGGOBGSA-N 301.748 4.082 0 40 DIAB Cc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2)C1=O 3208598 VSCQGYTWKAKFFZ-WJDWOHSUSA-N 324.405 4.101 0 40 DIAB CCc1ccccc1OCC(=O)OCc1ccc(Cl)cc1 3262084 XVJZDKFZNWFENH-UHFFFAOYSA-N 304.773 4.025 0 40 DIAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 3347295 FUATWKGLANNDMY-UHFFFAOYSA-N 315.244 4.196 0 40 DIAB Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 4113344 OOYHPPVVTBTTKJ-CFVMTHIKSA-N 312.438 4.493 0 40 DIAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 5466017 IZMNZMNORDQIKI-UHFFFAOYSA-N 315.344 4.035 0 40 DIAB Cc1ccc2nc([C@H](CC(C)C)NC(=O)c3ccccc3)[nH]c2c1 5626087 VMILHDBQLVPSTI-SFHVURJKSA-N 321.424 4.389 0 40 DIAB O=C(Sc1nncc2ccccc12)c1ccc(Cl)cc1 6244151 LUUMEOFZFDYURN-UHFFFAOYSA-N 300.770 4.216 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OC 6274251 BKJKKIRILRJAFL-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Cc1csc(S[C@H](C)c2nnc(-c3cccs3)o2)n1 6847095 PHIIWGILAAYXOI-MRVPVSSYSA-N 309.441 4.416 0 40 DIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1 7003094 YPCGXKOAYDSPAJ-INIZCTEOSA-N 323.440 4.116 0 40 DIAB Cc1csc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 7195701 ZQZKZOHPSKKPRY-SNVBAGLBSA-N 302.424 4.296 0 40 DIAB C[C@H](NC(=O)C1(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 7265178 QDUMJJLHZUZWIL-SIHNGCNOSA-N 323.480 4.439 0 40 DIAB Clc1cccc(CSc2nc(-c3cccs3)n[nH]2)c1 8273882 SOJSIDDTILQABX-UHFFFAOYSA-N 307.831 4.479 0 40 DIAB CC(=O)N[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 8778462 RVQBLSZHIHUVCZ-QGZVFWFLSA-N 318.461 4.033 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1cccc(Cl)c1Cl 14196997 OTCUGFYJJQCDKX-UHFFFAOYSA-N 321.163 4.316 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 15331170 WPLAUOMVNUWBLR-LLVKDONJSA-N 307.752 4.194 0 40 DIAB CCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12 19898749 BYJKSUUONLXDQS-UHFFFAOYSA-N 313.788 4.312 0 40 DIAB COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 23135767 TZDNRZSDLYDNMD-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CN(c1ccccc1)c1ccccc1NC(=O)c1ccccn1 40114461 IGPIMKZAODEUGM-UHFFFAOYSA-N 303.365 4.102 0 40 DIAB CCOc1cccc(CNC(=S)Nc2ccc(C)cc2C)c1 44155688 WVQGSAJKARCRMO-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 48374302 NBYKEYBTYQIATB-WMLDXEAASA-N 314.454 4.221 0 40 DIAB O=C(Nc1cccc(CNCc2cccs2)c1)C1CCCC1 48781322 OBXLLFMSYJOCER-UHFFFAOYSA-N 314.454 4.167 0 40 DIAB C[C@@H](c1cccnc1)N(C(=O)N[C@H](C)c1ccccc1)C1CC1 75094245 XXYCWCRVTPWJSS-CABCVRRESA-N 309.413 4.078 0 40 DIAB c1cc(C2(CNc3ncnc4sccc34)CCCC2)ccn1 95467551 WLQHYDZYXWPRSV-UHFFFAOYSA-N 310.426 4.010 0 40 DIAB Cc1ccc(C(=O)c2ccc(F)cc2C)cc1Br 95917001 RPSJFILRZWBKHJ-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB Cc1cc2oc(=O)cc(Cn3cnc(C)c3C)c2cc1C(C)C 95951106 QBGMKQFAVZYDFL-UHFFFAOYSA-N 310.397 4.086 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 96586371 IRQQUWFPMDBIJG-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1OC 113970208 AVLJKQMSDHOPFN-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB CCOc1cccc(NC(=O)CCSCc2ccccc2)c1 218996058 BOBDNBZJGLGVID-UHFFFAOYSA-N 315.438 4.347 0 40 DIAB S=C(NCCCc1cccc2ccccc12)Nc1cccnc1 225809538 YWRQHPIGFJLZSL-UHFFFAOYSA-N 321.449 4.154 0 40 DIAB Cc1csc(-c2cc([C@@H]3CCCCN3C(C)C)nc(C)n2)n1 257282314 OTGKYQIAXSEPKD-INIZCTEOSA-N 316.474 4.152 0 40 DIAB C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](c2cccnc2)C1 585089632 PQXQLPRCMBCFEJ-YJBOKZPZSA-N 300.446 4.004 0 40 DIAB CCCc1cc(=O)[nH]c(Nc2ccc(Oc3ccccc3)cc2)n1 150682 AWHMJSOKJAQCKN-UHFFFAOYSA-N 321.380 4.258 0 40 DIAB S=C(NCc1ccccc1)NCC1(c2ccccc2)CCCC1 380796 NGEUKRDEUZFKJS-UHFFFAOYSA-N 324.493 4.163 0 40 DIAB CCOc1cccc(=NCc2ccccc2)c2c(C)n(C)c(C)c12 510416 NONGKPXSLOTOFV-UHFFFAOYSA-N 320.436 4.295 0 40 DIAB CCOC(=O)c1ccc(NCc2ccc3ccccc3n2)cc1 1717922 JQIBDOJKYFITLT-UHFFFAOYSA-N 306.365 4.024 0 40 DIAB O=C(Nc1ccccc1OC(=O)c1ccccc1)c1ccccc1 1747944 QGOZYNURVSRBIG-UHFFFAOYSA-N 317.344 4.158 0 40 DIAB biogenic CCN(C[C@@H](O)COc1ccccc1C(C)C)C1CCCCC1 2694378 BQMPECYWPWRCHF-GOSISDBHSA-N 319.489 4.204 0 40 DIAB N=C1c2ccccc2CN1c1ncc(C(F)(F)F)cc1Cl 3206417 HZCSSZYLSKDHCQ-UHFFFAOYSA-N 311.694 4.099 0 40 DIAB Cc1ccccc1-n1c(SC(C)C)nnc1-c1cccnc1 3305682 NQHUCHMAGCDGPW-UHFFFAOYSA-N 310.426 4.138 0 40 DIAB CCCCCCOc1ccc(C(=O)Nc2nccs2)cc1 3899404 CJDGRORTXXETEG-UHFFFAOYSA-N 304.415 4.355 0 40 DIAB CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@@H]2c2c(C)ccc(C)c21 4580989 TYUKGNSLZLNRDL-YXEVWGHGSA-N 313.441 4.227 0 40 DIAB CCOc1ccccc1CNc1ncc(-c2ccccc2)n1C 4678349 DSBPAIXIKUZCTC-UHFFFAOYSA-N 307.397 4.098 0 40 DIAB O=C(Nc1cccc2ccccc12)C1=Cc2ccccc2OC1 5034261 VCXKUQVXAGNHSG-UHFFFAOYSA-N 301.345 4.254 0 40 DIAB O=C(NCCCCc1ccccc1)Nc1ccc(Cl)cc1 5682586 VQCQFJUESRFJGT-UHFFFAOYSA-N 302.805 4.484 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 6396963 VTQWSCFJMLSZLF-UHFFFAOYSA-N 314.360 4.207 0 40 DIAB CC1(C)COC(c2ccccc2NC(=O)c2cccs2)OC1 6668282 LGQOAFHYKYBYEV-UHFFFAOYSA-N 317.410 4.072 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8049955 RDTPGRYOOQFEEE-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccoc2)S1 8277685 PSAGQZQWGMDAEV-NTUHNPAUSA-N 318.785 4.133 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)c(C)c1 10446139 AMDZSTCJILKLFP-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB Cc1cccc(-c2nnc(NC(=O)/C=C\c3ccccc3)s2)c1 11617399 WQUDSHXLBOOYLM-KHPPLWFESA-N 321.405 4.165 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 12421529 LDSAJAZXOVGPJX-UZNLNLPZSA-N 319.395 4.300 0 40 DIAB Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)c(C)s1 12532931 YPVCJSPCQXJWRF-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CCC(CC)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 12758274 JPJCFNDJCPUJGV-UHFFFAOYSA-N 317.458 4.104 0 40 DIAB CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccco3)=NN12 13811531 ITDQTULRCVVUHP-CZUORRHYSA-N 302.761 4.213 0 40 DIAB CC[C@@H](C)N(C(=O)c1ccncc1)c1nc2ccccc2s1 14253620 CUEFDAGVPKOCOZ-GFCCVEGCSA-N 311.410 4.137 0 40 DIAB CC(C)n1nccc1NC(=O)c1cc2cc(Cl)ccc2o1 22290477 UZZZDWRVMIIDAC-UHFFFAOYSA-N 303.749 4.116 0 40 DIAB CCSc1ccccc1NS(=O)(=O)Cc1ccc(C)cc1 22510646 RRDDXSLLDORBFU-UHFFFAOYSA-N 321.467 4.049 0 40 DIAB CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C 35246705 IALORFOIXUNBCV-UHFFFAOYSA-N 315.316 4.314 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@H]1C 36698005 IJHWKASHRDXJMU-CYBMUJFWSA-N 318.376 4.241 0 40 DIAB O=C(CCn1ccc2ccccc21)Nc1nc2ccccc2s1 40020022 SSUIUFJFHRGROS-UHFFFAOYSA-N 321.405 4.280 0 40 DIAB O=C(NC1CCC(c2ccccc2)CC1)c1ccc(Cl)nc1 40070310 VHGZDYKKDOXGEY-UHFFFAOYSA-N 314.816 4.191 0 40 DIAB Cc1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 45783731 UYZCLKIGVIPUIY-UHFFFAOYSA-N 319.408 4.210 0 40 DIAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)cc1 65590362 GFISPDOQKZNPOM-MRXNPFEDSA-N 301.365 4.226 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(F)c(F)c2)S1 71286280 QMRYSRVQYPJOLA-CYBMUJFWSA-N 323.368 4.334 0 40 DIAB COc1ccc(OC)c([C@H]2CCCCN2Cc2ccccc2)c1 72221892 YSFKJVLQBPSICK-LJQANCHMSA-N 311.425 4.431 0 40 DIAB CCc1ccsc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 75110337 CECXZHVJNFPSLM-CHWSQXEVSA-N 305.468 4.100 0 40 DIAB O=C(CCc1ccccc1)Nc1ccc2[nH]c(C3CC3)nc2c1 79498353 ZONBKOIGFOWBBW-UHFFFAOYSA-N 305.381 4.012 0 40 DIAB O=C(C[C@@H]1CCCN1Cc1cccc(F)c1F)c1ccccc1 95412438 LXVQAHWKRNJKSM-INIZCTEOSA-N 315.363 4.202 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)N2[C@@H](C)CC[C@H]2CC)cc1C 95459123 IQBAJFGSGWHSJZ-DZGCQCFKSA-N 317.433 4.138 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2sccc2C1 95947109 CXVJIZCYDUPJAF-CYBMUJFWSA-N 324.449 4.167 0 40 DIAB O=C(CC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 113704356 LEQAUOVHGFRVAA-UHFFFAOYSA-N 309.148 4.155 0 40 DIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874208 ZCNLMBGFHUJJGS-ITQYTPKQSA-N 313.416 4.134 0 40 DIAB CC(C)(C)OC(=O)N1CCCc2cccc(Br)c21 217535509 COMDQTAKHGXNHI-UHFFFAOYSA-N 312.207 4.137 0 40 DIAB CC[C@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 225271887 MAKOVUXSYNQWHJ-ZETCQYMHSA-N 321.671 4.187 0 40 DIAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1 225364257 RTMXTRWRXRFPGM-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 225573564 FCYOCCXTSJTUDV-CYBMUJFWSA-N 301.817 4.322 0 40 DIAB CCC(CC)NC(=O)CSCc1ccc(Cl)cc1F 225882610 JPGAGNMQPIEXFW-UHFFFAOYSA-N 303.830 4.017 0 40 DIAB Cc1cnc(NCc2ccc(-c3ccccc3C(=O)O)cc2)s1 257285192 PGAPMJIDEBPPFT-UHFFFAOYSA-N 324.405 4.429 0 40 DIAB O=C(NCc1ccc(C2CC2)nc1)c1ccc2ccccc2c1 1565523004 DQDXAMXDQXPGRY-UHFFFAOYSA-N 302.377 4.042 0 40 DIAB CC(C)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 128372 PUZZOUFSBUGAEW-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB O=C1Nc2c(Cl)cc(Cl)cc2[C@]12Nc1ccccc1S2 1572538 FVLZBGJGOWCWPJ-CQSZACIVSA-N 323.204 4.316 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1 2738543 RALBVANJCFJINR-UHFFFAOYSA-N 318.376 4.359 0 40 DIAB CC(C)(C)Cc1nnc(NC(=O)c2ccccc2Cl)s1 2777409 CHZLBMGGEKLAIM-UHFFFAOYSA-N 309.822 4.032 0 40 DIAB CO[P@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(F)cc1 4327832 XBRSJZRDJLPUJU-YSAGGZBMSA-N 306.273 4.412 0 40 DIAB Cc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 5423160 JXFGJSBSOFQDGW-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB CSc1ccccc1NC(=O)Cc1c(F)cccc1Cl 6285107 RYRIBFXHVUNELF-UHFFFAOYSA-N 309.793 4.382 0 40 DIAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 6537397 HGBUQGRABBQXNZ-XUXNNNHQSA-N 301.405 4.219 0 40 DIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC1CCCCC1 6784783 BVKIGIHIXLLBMF-UHFFFAOYSA-N 323.502 4.151 0 40 DIAB Cc1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cs1 7088074 JQFMTVOPFLUPCY-QGZVFWFLSA-N 321.405 4.223 0 40 DIAB CCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 8227262 RDPDBXIIKNODFR-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 10448988 RSLWEVDVSJFAOT-LBPRGKRZSA-N 317.841 4.410 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3ccccc3CC)cc2c1 12493155 AGROGUKAHFJYMS-UHFFFAOYSA-N 322.408 4.101 0 40 DIAB CCCCc1nc2ccccc2n1Cc1cn2cccc(C)c2n1 12520510 AOXRGIXIKOBZIO-UHFFFAOYSA-N 318.424 4.383 0 40 DIAB O=C(Nc1ccccc1)N[C@H]1CCSc2ccc(F)cc21 13001139 BZSZFYDDOSAVGW-AWEZNQCLSA-N 302.374 4.184 0 40 DIAB Cc1ccc(-c2noc(CN(C)Cc3sccc3C)n2)cc1 15311942 AFMMMJWNNVDFHT-UHFFFAOYSA-N 313.426 4.047 0 40 DIAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1F 16130551 BVDQJEUPGHZDAE-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB c1ccc(C2N3[C@@H](c4ccccc4)N[C@@H](c4ccccc4)N23)cc1 19170637 TXHUTFVKKSFFFY-KGQNPBSJSA-N 313.404 4.219 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(N)c1 19736481 GWNUADOEQYOIHZ-HNNXBMFYSA-N 318.804 4.027 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 20492187 FYCTYKJORFVAON-KRWDZBQOSA-N 315.457 4.386 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 24870341 NXVZHBRTCBOVBA-CQSZACIVSA-N 317.388 4.344 0 40 DIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CC=CCC1 25283216 COEUMWLWBXIFLY-UXHICEINSA-N 305.421 4.443 0 40 DIAB Cc1ccc(C)c(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 27917719 NICYFCCWWPCXHP-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB O=C(NCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 31723432 DUPBHTRKSWDCNL-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c(F)cccc1Cl 32754740 GPDLSGWBYNRSJX-BDAKNGLRSA-N 323.717 4.330 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 44900695 UNMNSPTZKKQKRV-CVEARBPZSA-N 311.425 4.202 0 40 DIAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1 45248244 LQFFNUNWDXAQFW-INIZCTEOSA-N 319.408 4.014 0 40 DIAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2O)cc1C 58141005 MJWZDDGCCOKWTM-IBGZPJMESA-N 323.436 4.305 0 40 DIAB c1ccc2sc(NCCCn3cnc4ccccc43)nc2c1 71837410 BTPUBKZNYRDTPP-UHFFFAOYSA-N 308.410 4.148 0 40 DIAB CC(C)CN1CCCC[C@H]1c1cccnc1N1CCCCC1 72216125 SSJUQJGJGIFECR-SFHVURJKSA-N 301.478 4.255 0 40 DIAB CC(C)(C)CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375166 UAVZLYLQFSRSDA-AWEZNQCLSA-N 316.474 4.465 0 40 DIAB CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccnc(Cl)c1 79104937 PEFJGSCGOSZYNF-INIZCTEOSA-N 316.832 4.218 0 40 DIAB Cc1ccc(CN(Cc2ccc(C)cc2)C[C@@H]2CCCN2)cc1 79438578 MXEFANNNRNAKGE-NRFANRHFSA-N 308.469 4.058 0 40 DIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccc(Cl)c(Cl)c1 95096029 DBJJGKJZPVAWCW-XVKPBYJWSA-N 301.091 4.012 0 40 DIAB CSc1ccc([C@@H](O)c2cccc(Br)c2)cc1 95730249 ABNAPXAWFVSYHQ-CQSZACIVSA-N 309.228 4.253 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 104562400 PYPUEKBHSVPLLO-MPPDQPJWSA-N 310.800 4.425 0 40 DIAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccccc1Cl 214111233 BHNSIUGNRAPUTM-MDWZMJQESA-N 319.769 4.170 0 40 DIAB Cc1cc(-c2ccc(CCC(=O)O)o2)ccc1Br 216923311 ACWJCSALMWTWDX-UHFFFAOYSA-N 309.159 4.035 0 40 DIAB Cc1ccc(CCC(=O)NCCSC2CCCC2)cc1C 224406742 RNRQBTDWDJCFDM-UHFFFAOYSA-N 305.487 4.028 0 40 DIAB CNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957577 QNXXCQDLBOSPLY-UHFFFAOYSA-N 312.756 4.022 0 40 DIAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225717025 IIIWKOFQFZQWKE-LIRRHRJNSA-N 319.445 4.318 0 40 DIAB CCN(C(=O)c1ccc(-c2cccc(N)c2)o1)c1ccccc1 226304006 QAAGSGRSSJNRMW-UHFFFAOYSA-N 306.365 4.196 0 40 DIAB Fc1cccc(Cc2cnc([C@H]3CCCN3C3CCCC3)o2)c1 257228312 FTJJNMRZCYUELR-GOSISDBHSA-N 314.404 4.484 0 40 DIAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 408836998 XQFXUDSDOFPYER-UHFFFAOYSA-N 323.421 4.410 0 40 DIAB OCc1cc(-c2ccccc2)nc2c(Br)cccc12 685937343 NQWOIIOZEJOQRF-UHFFFAOYSA-N 314.182 4.157 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1 271377 OYJPOHFCNBZJSR-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)OC(C)C 419199 KHENUPUELWQJMP-UHFFFAOYSA-N 303.427 4.204 0 40 DIAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCCC2)c1C 568535 CFRFUSAXUVEOAT-UHFFFAOYSA-N 314.454 4.213 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)C1=Cc2ccccc2OC1 1388111 GREROSRAQKRQLN-UHFFFAOYSA-N 319.282 4.120 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2648719 QRMIIFRUGCOUBX-CVEARBPZSA-N 311.425 4.456 0 40 DIAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2s1 3252744 QMECJZKVVMMGPL-GFCCVEGCSA-N 320.483 4.180 0 40 DIAB Cc1ccc(NC(=S)N(C)Cc2ccccc2)cc1Cl 3338877 KMPCFQDDTXJYOR-UHFFFAOYSA-N 304.846 4.477 0 40 DIAB COc1ccccc1NC(=O)Nc1nc(C(C)(C)C)cs1 3434392 TVLRFWWJOSJVOK-UHFFFAOYSA-N 305.403 4.093 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1C 5292576 YABIUWVQMWNBNJ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cc(NC(=O)Nc2ccccc2)ccc1N1CCCCC1=O 5441431 MKLRONAKQMJHSO-UHFFFAOYSA-N 323.396 4.156 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 6474640 VKVWWJPLOGJXKI-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cn1c(SC(=O)c2ccccc2Cl)nc2ccccc21 7343487 CYRRMUTTZISKJH-UHFFFAOYSA-N 302.786 4.159 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1ccc2ccccc2c1 7990438 BYSBLWIGDWJNTH-UHFFFAOYSA-N 303.361 4.224 0 40 DIAB Cc1nc2c(Cl)cccc2c(O)c1CN1CCCC[C@H]1C 8700851 HHZMRPYWQIYNQQ-LLVKDONJSA-N 304.821 4.277 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)O 8732922 XNWBZHHVQWDJTI-CQSZACIVSA-N 323.458 4.407 0 40 DIAB O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9365218 IFFAJLUBIHBOFI-MRXNPFEDSA-N 324.359 4.071 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc2ccccc2n1 11201827 MYGZFIMOMZBMLT-LJQANCHMSA-N 302.377 4.116 0 40 DIAB Cc1ccc2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)c(C)c2c1 11915489 ICPHRIQNFDDMIZ-SNVBAGLBSA-N 324.380 4.415 0 40 DIAB O=C(Nc1ccccc1N1CCCCCC1)c1ccsc1 12537339 GDILXCVXLOSXRV-UHFFFAOYSA-N 300.427 4.381 0 40 DIAB Cc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12554569 ISLPIGYRROVKGV-LLVKDONJSA-N 313.426 4.083 0 40 DIAB CCc1nc2ccccc2n1CCOc1ccccc1Cl 12656964 IVZWTRXEWUGNOA-UHFFFAOYSA-N 300.789 4.331 0 40 DIAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 13007458 WPHSTSSZUDIOIL-HNNXBMFYSA-N 321.420 4.016 0 40 DIAB CCc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 15593082 XKOUMXRLJBUOQA-UHFFFAOYSA-N 310.422 4.430 0 40 DIAB COc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1F 18131248 ZEKYDSYXIVTJSJ-KRWDZBQOSA-N 315.388 4.352 0 40 DIAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2OCc2ccccc2)C1 20730809 OYOPLICHMBEKAL-HNNXBMFYSA-N 319.364 4.112 0 40 DIAB CC(=O)CCCCCC/C=C\CCCCCC[C@@H](O)C(=O)O 22060975 NYSHLUUKQNYIFM-BAHPRDJBSA-N 312.450 4.258 0 40 DIAB in-vitro CCC[C@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246030 UIPSRJKOGMCPKJ-JTQLQIEISA-N 321.421 4.253 0 40 DIAB COCc1c(C(=O)Nc2cc(F)cc(F)c2)oc2ccccc12 40013329 BBVHIHXVUXXARB-UHFFFAOYSA-N 317.291 4.110 0 40 DIAB CCCOc1ccc([C@H](C)NC(=O)c2ccsc2)cc1OC 48501028 JIGGSVOFKHKXDM-LBPRGKRZSA-N 319.426 4.037 0 40 DIAB CC1(C)C=CN(c2ccc(Cl)cc2C(F)(F)F)C(=S)N1 59124509 XWNKZAGIPLHQCH-UHFFFAOYSA-N 320.767 4.346 0 40 DIAB CSc1cccc2sc(NC(=O)NC3CCCC3)nc12 62017475 ZPMXATPSUSXHJE-UHFFFAOYSA-N 307.444 4.082 0 40 DIAB Cc1nc(N(C)c2ccccc2)ccc1[C@@H](N)c1ccccc1 72224394 CJXNSLOSZUMRQG-FQEVSTJZSA-N 303.409 4.206 0 40 DIAB O=C(Nc1c(F)cccc1NC1CC1)c1cccc2cc[nH]c12 89807892 NEHBHCXECNLDHY-UHFFFAOYSA-N 309.344 4.134 0 40 DIAB CCOc1cc(C=O)c(Cl)cc1OCc1cccc(C)c1 95094981 UKLIZKMQYJFZDS-UHFFFAOYSA-N 304.773 4.439 0 40 DIAB Cc1ccnc(-c2ccc(N[C@H](C)c3nc(C(C)C)no3)cc2)n1 96406732 VOEMTQQMEDNJJE-CYBMUJFWSA-N 323.400 4.132 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 102047830 UIWZTPKHFWACRP-SFHVURJKSA-N 320.371 4.090 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102380966 FNEKDQWBBFCRFP-BREBYQMCSA-N 314.376 4.180 0 40 DIAB O[C@]12CCCC[C@H]1N(Cc1ccccc1)[C@H](c1ccccc1)C2 219773761 RIWFQVVQINEPLK-HBMCJLEFSA-N 307.437 4.307 0 40 DIAB biogenic CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225633310 ZVIQQEMSMUOWKB-BEFAXECRSA-N 319.445 4.399 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225720955 ANYUVUKFSMIJRW-UHFFFAOYSA-N 319.445 4.318 0 40 DIAB O=C(O)c1ccc(CC2CCCCC2)n1Cc1ccc(F)cc1 226024345 MYGVNSBEUBHSJO-UHFFFAOYSA-N 315.388 4.497 0 40 DIAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1CCc1ccccc1 247758762 ZBOJBBVVBRWXGZ-CUWPLCDZSA-N 319.448 4.390 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/c2nc(CCC(F)(F)F)no2)o1 546323722 VHHHVJVHJPPTGO-FYGOAMBHSA-N 312.291 4.451 0 40 DIAB Cc1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1C 1560876468 LQYQVBOUQKGKGA-UHFFFAOYSA-N 301.380 4.256 0 40 DIAB CCOc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 83652 XAMQPDRMIDFVKM-UHFFFAOYSA-N 323.373 4.468 0 40 DIAB CCOc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 363628 CCECPBZXPHOZCF-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB Cc1cc(O[C@H](C)C(=O)Oc2ccc(F)cc2)ccc1Cl 464918 JZLGSWIDSYFOJJ-LLVKDONJSA-N 308.736 4.160 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1cccc3ccccc13)C2=O 2091146 SOVGKWQRCJRBNZ-QRWLVFNGSA-N 307.393 4.156 0 40 DIAB biogenic O=C(O)/C=C1/c2ccccc2CSc2ccc(Cl)cc21 4567253 DALZHJDZKQYSKO-JYRVWZFOSA-N 302.782 4.462 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1cc(F)cc2cccnc12 5561597 HKYFPDWAVXLTMJ-CQSZACIVSA-N 303.425 4.296 0 40 DIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccs1 5936482 LFPGBKZNRZSLJA-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB CCCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 6670000 UUYKOLCKMRZDGG-UHFFFAOYSA-N 313.213 4.112 0 40 DIAB Cc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=NCCCC1 8415722 VHQLXLZLLKEDQG-UHFFFAOYSA-N 324.399 4.406 0 40 DIAB CN(Cc1ccco1)C(=O)c1cccc(Oc2ccccc2)c1 8485460 SHIOQTWBTHTQEU-UHFFFAOYSA-N 307.349 4.344 0 40 DIAB Cc1cccc(-c2nnc(-c3ccccc3Br)o2)c1 8722761 ZCHNBHGKJUNFCM-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB C/C1=C\CC[C@H]2[C@@H](/C=C(\C)CC1)OC(=O)[C@@H]2CN1CCCCC1 12659806 BYFVAWVWHDPHGP-AVHBXPQBSA-N 317.473 4.097 0 40 DIAB CC1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 12809336 AGUZCMDCPANTOE-UHFFFAOYSA-N 309.837 4.192 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)C(C)(C)c2ccccc2)cc1 12945457 YTWQNEISSDMBOE-HNNXBMFYSA-N 311.425 4.240 0 40 DIAB O=C(CCSCc1cccc(F)c1)Nc1cccc(F)c1 13021553 XVHXRPKHQRSDDS-UHFFFAOYSA-N 307.365 4.227 0 40 DIAB COc1ccccc1[C@H](CC(=O)Nc1cccc(C)n1)C(C)C 13691680 LLKVXQBESYPGGO-MRXNPFEDSA-N 312.413 4.167 0 40 DIAB Clc1ccc(OC2CCNCC2)c(Cc2ccccc2)c1 14631978 KVCLQMPLEODAGN-UHFFFAOYSA-N 301.817 4.062 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@@H](c2cccs2)CC(=O)N3)C1 15085205 NGZJCMMKHFMZST-GXSJLCMTSA-N 303.452 4.409 0 40 DIAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1F 18115229 FPAJSMFNJDHFEP-UHFFFAOYSA-N 313.250 4.105 0 40 DIAB O=C(c1ccc(F)cc1F)N1CCC(Cc2ccccc2)CC1 22327874 OKRGPDOIFFVNLZ-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 22523981 CHDVGUZYIBIYPX-CABCVRRESA-N 315.388 4.087 0 40 DIAB Cc1ccccc1[C@@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 24518934 BFMGUSOGKFBVQE-CABCVRRESA-N 307.397 4.457 0 40 DIAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)cc1 26203724 UKGNTVUNEPYTOC-IBGZPJMESA-N 311.425 4.204 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)C1 38567353 VYNQIHSPXLLAJW-INIZCTEOSA-N 310.397 4.107 0 40 DIAB CCc1ccsc1C(=O)NCC(C)(C)c1ccccc1F 60338126 ZDSAOANRGJOOHN-UHFFFAOYSA-N 305.418 4.157 0 40 DIAB COc1ccc2oc(/C=C/C(=O)N(C)c3ccccc3)cc2c1 67339860 CXYOOJLLEWPBIA-PKNBQFBNSA-N 307.349 4.118 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCc1c[nH]c3ccccc13)C2 69283864 GMTDNUUDMZFYMG-RRMPHLOHSA-N 324.468 4.432 0 40 DIAB c1ccc(COC2CCN(Cc3nc4ccccc4o3)CC2)cc1 69352220 UNKMYMQNRCPEHR-UHFFFAOYSA-N 322.408 4.009 0 40 DIAB Fc1ccccc1[C@H]1CCN1c1ncnc2c1oc1ccccc12 72313854 OPFAKXNUTQLVLI-OAHLLOKOSA-N 319.339 4.467 0 40 DIAB O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2F)o1 84525464 XRRPYOXCPDKARS-RDJZCZTQSA-N 321.351 4.372 0 40 DIAB O=C(NCC1CCCCCCC1)c1c(Cl)nc2ccccn12 95365212 LBEWYFSFEQQEFI-UHFFFAOYSA-N 319.836 4.078 0 40 DIAB Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1cnc2ccsc2c1 95422816 BUUXQPAZANUZCE-QWRGUYRKSA-N 315.442 4.183 0 40 DIAB c1ccc2c(c1)CSC[C@@H]2NCCc1c[nH]c2ccccc12 95949744 XZNGPLGANZELGO-IBGZPJMESA-N 308.450 4.288 0 40 DIAB Clc1ccc([C@H](NCC2=CCCOC2)c2ccccc2)cc1 95971802 WVNTYXWUZYNBLI-LJQANCHMSA-N 313.828 4.366 0 40 DIAB Cc1cnc([C@H](C)NCc2ccc(SC(F)(F)F)cc2)o1 96003616 FJHVYSMRIPFRDA-JTQLQIEISA-N 316.348 4.446 0 40 DIAB CC[C@](CNC(=O)c1ccccc1Cl)(OC)c1ccccc1 96123693 LRVGYOXMTTWKBD-GOSISDBHSA-N 317.816 4.022 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cc2ccncc2)cc1 108421139 CYRXBNXWVLIHDR-GBESFXJTSA-N 320.436 4.437 0 40 DIAB CCN(c1cc(Cl)ccc1Oc1ccccc1)[C@@H](C)C(=O)O 225005167 HBFLEBURBBCRCK-LBPRGKRZSA-N 319.788 4.432 0 40 DIAB CC(C)OC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 225423769 GKWBFTMIMYPLAQ-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB Cc1cccc(CC(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1 245187619 ZRDXCFXHDDLTLO-HNNXBMFYSA-N 307.393 4.031 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(Cl)c1 166814 HUOKTLKJCQQGOU-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB COC(=O)c1cccc(C)c1C(=O)c1cc(C)cc2ccccc12 1632929 PRAXZODAUVJIOO-UHFFFAOYSA-N 318.372 4.474 0 40 DIAB CCOP(=O)(OCC)C(=O)c1ccc(Cl)cc1Cl 2144297 LFLLBPWHWUMURC-UHFFFAOYSA-N 311.101 4.400 0 40 DIAB CC(C)CC[C@@H](CCN1CCCC1)c1ccc2c(c1)OCO2 2343037 WLFDIVSMVXWZBA-INIZCTEOSA-N 303.446 4.421 0 40 DIAB CCOC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)cc1C 3236035 NYKNFHWBSXYNKJ-UHFFFAOYSA-N 317.410 4.102 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1ncnc3ccccc13)C2=O 5705997 XRMHCDORAISTQA-DWQUBVKVSA-N 312.438 4.116 0 40 DIAB CCOC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 6401851 CDKQNGIWVZDPFV-SGTLLEGYSA-N 300.402 4.036 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1ccc2c(c1)CCC2 7284954 FAWGFHCNCMNIGY-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB O=C(CCc1nc2ccccc2s1)NCCC1=CCCCC1 7988388 FLOHTRNSIHIAQS-UHFFFAOYSA-N 314.454 4.236 0 40 DIAB CN(C(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 7995851 XFHXJMZLQABSAB-UHFFFAOYSA-N 308.406 4.016 0 40 DIAB CCC[C@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 9516829 BPOLBYLBIPESAE-KSSFIOAISA-N 314.404 4.284 0 40 DIAB Cc1ccc(CSc2nc3ccccc3c3nc(C)nn23)cc1 9939940 WNABSRUEZBQSIL-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1C 10148940 ZTMPQCRLNIUEHX-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccn1 10557530 UDRAWWDNVVNANC-OAHLLOKOSA-N 318.376 4.365 0 40 DIAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)CCCC2 12908765 JLEZKFZVNJWHAA-UHFFFAOYSA-N 302.377 4.366 0 40 DIAB COc1ccc(CN(C(=O)Nc2ccc(F)cc2)C2CC2)cc1 13000496 CYNPGQIBNLLGPP-UHFFFAOYSA-N 314.360 4.031 0 40 DIAB CC12C[C@@H]3C[C@H](C1)CC(CNC(=O)c1ccc(F)cc1)(C3)C2 13644560 UFZNEEQLMUNJPZ-BAUKFBFWSA-N 301.405 4.162 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1 13710218 VKJAJIDRIKITIL-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(F)cc2F)cc1C 22540221 CDQOEEFWEUSZRP-ZDUSSCGKSA-N 303.352 4.381 0 40 DIAB CCSc1nn(CCOc2ccc(C)cc2)c(=S)s1 26895507 MAJSWLJHWWYQHA-UHFFFAOYSA-N 312.485 4.174 0 40 DIAB CC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 28221302 QMHGVMAWGPWAAS-AWEZNQCLSA-N 310.397 4.389 0 40 DIAB O=C(Cc1ccccc1F)Nc1cccc(OC2CCCC2)c1 32769536 MQEBPGVWCHDTML-UHFFFAOYSA-N 313.372 4.328 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1c2ccccc2C[C@@H]1C 38756826 CTWJWFAAGOLAEC-LPHOPBHVSA-N 323.436 4.439 0 40 DIAB Cc1ccc(NC(=O)NCCc2ccccc2F)c(Cl)c1 40096874 KZLNWLNJFFDCEH-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB CCOCc1ccc(CNC(=O)Nc2ccc(CC)cc2)cc1 40097920 CRBONPQWZCKGLZ-UHFFFAOYSA-N 312.413 4.107 0 40 DIAB O=C(Cc1ccccc1Cl)NCCc1cccc2ccccc12 46688318 NFNOCJCFUYSIQZ-UHFFFAOYSA-N 323.823 4.395 0 40 DIAB CC[C@@H](NC(=O)CCCc1nc2ccccc2s1)C(C)C 48264925 AHZGGIQEMOJXTH-CYBMUJFWSA-N 304.459 4.170 0 40 DIAB CC(C)CCC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 69530273 QGQXUMMTYDZWOL-IBGZPJMESA-N 314.404 4.205 0 40 DIAB CC(C)OC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1 70462648 LKPVJIQAXOMATB-UHFFFAOYSA-N 310.825 4.232 0 40 DIAB Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 71851071 ZXWBWKYQNZXTPA-JQWIXIFHSA-N 320.820 4.268 0 40 DIAB Cc1cc(-n2cnnc2)cc2nc(-c3ccc(Cl)cc3)oc12 73639456 BDYUKNADLXEXJP-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB Cc1ccc(CN(Cc2ccc(C)cc2)CC2CCNCC2)cc1 79438594 OVLBIRLSVRSEKQ-UHFFFAOYSA-N 322.496 4.305 0 40 DIAB O=C(C[C@H]1CCCN1Cc1cccc(F)c1F)c1ccccc1 95412439 LXVQAHWKRNJKSM-MRXNPFEDSA-N 315.363 4.202 0 40 DIAB C[C@H](CNC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 224124779 XPJIHENXTMGYNK-QGZVFWFLSA-N 322.452 4.210 0 40 DIAB CCCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC 224412795 UNOGZNSTZLVJJV-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB CCCCOCc1cc(C(=O)N[C@@H](C)CCC)ccc1OCC 224731212 CJVMUZYKXSLCAW-HNNXBMFYSA-N 321.461 4.320 0 40 DIAB CCOc1cccc(CNC(=O)C2(c3ccccc3)CCCC2)c1 224743822 RQOLFCVFQBXPTP-UHFFFAOYSA-N 323.436 4.214 0 40 DIAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(C)cc2)c1 225240185 KTTPWLZPZFQYAP-ACCUITESSA-N 307.437 4.449 0 40 DIAB Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCCCC1)CC(C)(C)O2 225757324 NKXPQQVDQJGXRK-INIZCTEOSA-N 316.445 4.229 0 40 DIAB Cc1cccc(NC(=O)c2snnc2-c2ccccc2)c1C 225758882 RMIRKBIBEQHRRZ-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2C)cc1 225773453 LRCHXETVKAALKB-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(Oc2cccnc2)cc1)C(C)(C)C 565055546 VZVPGKLLAQAMNJ-CYBMUJFWSA-N 313.401 4.430 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1cc2ccccc2o1 575609198 RKVMAAPZSCDHAQ-UHFFFAOYSA-N 307.305 4.216 0 40 DIAB O=C(NCc1ccc(-c2ccsc2)o1)c1c(F)cccc1F 575611337 UUXZGMZODQNSKT-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB Cc1ccccc1-c1nnc(-c2ccccc2Br)o1 39022 QQXFJYMTWWTMDA-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB CCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1 509503 UQMHNEQLGJGCSZ-UHFFFAOYSA-N 323.396 4.316 0 40 DIAB CCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 1268870 ZNLXOLKVGWCXBM-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB COc1ccc([C@](O)(Cc2ccccc2)c2ccccc2)cc1 2271027 HCAAXEIAGZARHK-NRFANRHFSA-N 304.389 4.174 0 40 DIAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1F 2515083 OQFBJOFNVKPOMX-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB CCOc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 2657948 PAJXHFZHKRZUDH-UHFFFAOYSA-N 319.426 4.010 0 40 DIAB CC(/C=C1\N=C(c2cccc(F)c2)OC1=O)=C\c1ccccc1 5172966 WBZNODMDALQBNJ-NEOBQEPSSA-N 307.324 4.117 0 40 DIAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 7223497 OHIOLYJOFILZLG-AWEZNQCLSA-N 320.392 4.288 0 40 DIAB COc1ccc(OC)c(C(=O)N(C)c2ccc3ccccc3c2)c1 7735606 AQXKTROVTCAJRJ-UHFFFAOYSA-N 321.376 4.134 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCCCCC1 7754360 GJRSUPWOFQOREY-UHFFFAOYSA-N 306.456 4.196 0 40 DIAB Cc1nc(NC2CCCCC2)sc1C(=O)Nc1ccccc1 8185040 JDBZWWYAWSNEFU-UHFFFAOYSA-N 315.442 4.448 0 40 DIAB CN(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 8690562 KHZFRGHVMWSXEM-UHFFFAOYSA-N 322.380 4.117 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[nH]1 10895996 QQVSUJDNGIATIX-UHFFFAOYSA-N 320.179 4.430 0 40 DIAB O=C1C[C@@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1 15109956 LAINAZUYFAUXLK-AWEZNQCLSA-N 321.405 4.361 0 40 DIAB COc1cc(C(=O)NC2CCCCCC2)ccc1OCC(C)C 15617692 RUQQUTASTBBYNU-UHFFFAOYSA-N 319.445 4.183 0 40 DIAB CC(=O)c1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1C 16768168 UCFVPTKFYGKLGP-VXPUYCOJSA-N 322.433 4.341 0 40 DIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccncc2)cc1 19557618 YGWJEVISINCSQM-WOZUAGRISA-N 322.452 4.152 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 22879855 RCTZZFDCRJZOPK-AWEZNQCLSA-N 324.424 4.340 0 40 DIAB CN(C(=O)/C=C/c1cccc(Cl)c1)[C@@H]1CCc2ccccc21 27818415 WWWKFECVECBIFZ-ZPHJMFTNSA-N 311.812 4.499 0 40 DIAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28303937 OJXZBHSDTUGSMP-AWEZNQCLSA-N 310.422 4.338 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 30869872 QECAIVNFXACDAK-CQSZACIVSA-N 313.397 4.225 0 40 DIAB Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)on1 48264566 JVKYTWLTMLIYNT-ZDUSSCGKSA-N 315.398 4.037 0 40 DIAB CCCOc1ccc([C@@H](C)NC(=O)C[C@H]2C=CCC2)cc1OC 48374928 GRZDUJWLKRAHBB-CABCVRRESA-N 317.429 4.018 0 40 DIAB CC(C)(C)OC(=O)N1CCC2(CCc3ccc(F)cc32)CC1 66351297 IKEQVZVLTMHKME-UHFFFAOYSA-N 305.393 4.041 0 40 DIAB in-vitro CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 72297292 HMLODMPVOIWFJU-GJZGRUSLSA-N 318.486 4.329 0 40 DIAB CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 72297297 WEMGKQSNWHQMJB-HUUCEWRRSA-N 318.486 4.329 0 40 DIAB Cc1ccc([C@H](C)NCc2cccc(NC(=O)C3CCC3)c2)o1 89652446 IKYHMYLBWYQEOA-AWEZNQCLSA-N 312.413 4.177 0 40 DIAB Cc1cc2c(N3CCC[C@H](Nc4ccccc4)C3)ncnc2s1 90111886 LHYWRQDWNASNLL-HNNXBMFYSA-N 324.453 4.081 0 40 DIAB Fc1ccc(COc2ccc(Br)cc2F)cc1F 95915347 WZZOKAMQIKVVQM-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB CCC(CC)C(=O)Nc1cccnc1SCc1ccccn1 96231400 ZUUDKHOISHINQG-UHFFFAOYSA-N 315.442 4.144 0 40 DIAB Cc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 107423117 JFOLGXHSUIOMKQ-UHFFFAOYSA-N 323.417 4.048 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)o1 193702739 GQYXCUACEJGPOI-UHFFFAOYSA-N 323.352 4.039 0 40 DIAB CCOC(=O)c1cccc(OCc2ccc(F)cc2Cl)c1 216800369 XGKOEKZLNMJSSA-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1C 224316958 AEMRGSGSMMAAOH-UHFFFAOYSA-N 313.397 4.433 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cccc(C)c1C 224430557 UHXGMAUTSOUFAJ-DLBZAZTESA-N 305.462 4.403 0 40 DIAB CCOC(C)(C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225648644 IKDLHMYSMCUCIS-UHFFFAOYSA-N 307.434 4.092 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c(C)c1 364866 AWPBZBLYMAMSGP-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CC(C)Oc1ccc([C@@H](CC(=O)N2CCCC2)C(C)C)cc1 488682 CDFFRFDEYZWEEU-SFHVURJKSA-N 303.446 4.226 0 40 DIAB biogenic O=C(Nc1scc2c1c(=O)oc1ccccc12)c1ccccc1 1036642 GVNHRHSVEIRHIG-UHFFFAOYSA-N 321.357 4.260 0 40 DIAB O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1Cl 1263240 JHPOPIMHFJTMAG-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CC=CC1 2515908 QGJRABGLXQLQFE-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 2633153 SLGUXKYLMNBFPV-HNNXBMFYSA-N 317.454 4.021 0 40 DIAB CCOC(=O)c1sc(NC(=O)c2cc(C)ccc2C)cc1C 3226859 IIULVNMGZZQRJH-UHFFFAOYSA-N 317.410 4.102 0 40 DIAB CC(=O)c1sc(Nc2nc3c(F)cccc3s2)nc1C 4137676 JSKPFYHEPQHDNR-UHFFFAOYSA-N 307.375 4.147 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)s1 4902348 JWQYVGAOTAIPQI-UHFFFAOYSA-N 300.427 4.299 0 40 DIAB COc1ccccc1C(=O)Nc1nc2cc(C)c(C)cc2s1 5152404 TZKQBYVMEIHDIE-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB COc1ccc([C@@]2(C)OC(=O)c3ccccc32)c2ccccc12 6482310 RHJORMNNSJVMRP-FQEVSTJZSA-N 304.345 4.282 0 40 DIAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 6590565 JQAXMWYOHGDVRQ-AWEZNQCLSA-N 304.802 4.099 0 40 DIAB CC(=O)c1c(C)[nH]c(-c2csc(NC3CCCC3)n2)c1C 6671209 KQUOWQFQSRHKBZ-UHFFFAOYSA-N 303.431 4.312 0 40 DIAB COc1ccc(S[C@H](C)C(=O)NCCC2=CCCCC2)cc1 7790278 JBPHZDVKLRIQAR-CQSZACIVSA-N 319.470 4.183 0 40 DIAB COc1ccccc1OCCC(=O)Nc1ccccc1C(C)C 8131271 GWNCJNWYZPNOPR-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB Cc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 12853010 SSMGYSHKTJWKAP-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)c(F)c1 12985034 UYNKYOYNVKPHFY-OAHLLOKOSA-N 303.402 4.345 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCc2ccccc21 13017952 JMPUDDNWSXDKFL-WOJBJXKFSA-N 305.421 4.374 0 40 DIAB Cc1cc(C(=O)Cn2cnc3ccccc32)c(C)n1CCC(C)C 14737635 XKTVCRZPARWOQT-UHFFFAOYSA-N 323.440 4.384 0 40 DIAB Cc1ncccc1C(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19582982 JFOLOAGRAKOEPF-MUGJNUQGSA-N 320.436 4.092 0 40 DIAB Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccco3)n2c1 28225400 YKLYZCCMJGDZJH-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB CNc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 33783058 JRJHWLHQKLZZNX-UHFFFAOYSA-N 310.180 4.392 0 40 DIAB O=C(CSc1ccc(F)cc1)Nc1ccc(C(F)F)cc1 33874098 HICQLCOHSBQBSZ-UHFFFAOYSA-N 311.328 4.494 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccs2)cc1 38754000 AGKOKXRSOINJSA-OAHLLOKOSA-N 303.427 4.274 0 40 DIAB Cc1cc2ncn(CCc3noc(-c4cccs4)n3)c2cc1C 41146263 FMTOPRWAERAPBY-UHFFFAOYSA-N 324.409 4.007 0 40 DIAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 42645595 NPSOZRRCBGKWPU-ZDUSSCGKSA-N 317.360 4.019 0 40 DIAB C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1cccc2ccccc12 44563784 UIZCOZGJYCVXAJ-LBPRGKRZSA-N 315.369 4.054 0 40 DIAB c1csc(CCN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 58159790 HMLRPJFTJCLUAV-CQSZACIVSA-N 312.438 4.311 0 40 DIAB Cc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1 58733539 BENXTQCCMSCICJ-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1C[C@@H]1c1ccco1 70014798 CDAFCLNMLYKGOO-VHSXEESVSA-N 316.407 4.207 0 40 DIAB CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72348587 KHGIMYFCNGBMNH-OAHLLOKOSA-N 300.833 4.135 0 40 DIAB CCc1cnc(CNc2cccc(NC(=O)OCC(C)C)c2)o1 95414846 LZGODJZMIASPAJ-UHFFFAOYSA-N 317.389 4.054 0 40 DIAB COc1cc(Cl)ccc1C(=O)N[C@@H]1CCCc2sccc21 95944830 WPOBTHSJKRUIIM-CYBMUJFWSA-N 321.829 4.218 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)cc1C 219490977 UTTAACJOPCOGJQ-VQIMIIECSA-N 311.425 4.338 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223212161 RVKSKGVWWFXSCP-WMLDXEAASA-N 303.446 4.285 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(C)ccc2C(C)=CC1(C)C 223217709 SVMHWRDTGKSPBE-MRXNPFEDSA-N 301.430 4.339 0 40 DIAB COCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 224396903 BLVMSNDCPOFIIQ-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)NC(C)(C)CC(C)(C)C 224615586 MXXOFCAIJKHPQT-AWEZNQCLSA-N 309.425 4.314 0 40 DIAB COc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1C 224884118 LUPYOXPWOHLUDB-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB Cc1ccc(S[C@H](Cc2cccc(C)c2C)C(=O)O)cc1 225023914 YFXDHEYXXXEBPY-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB CCc1ccc(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1 225853479 LPOGGDOUFHURAN-IBGZPJMESA-N 311.425 4.068 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251192541 CTZNUJIBAUPQPV-GALXQHASSA-N 323.436 4.302 0 40 DIAB O=C1C[C@@H]2C[C@H](c3nc(-c4ccc(Cl)cc4Cl)no3)[C@H]1C2 333880298 UHCPRKJTRASOHY-XROYCOCOSA-N 323.179 4.126 0 40 DIAB C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 227600 ADBLCXKVLSFZLV-GNTOHDJUSA-N 315.363 4.192 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1csc(-c2ccccc2)n1 1401169 QPRMWNWRAPNJMU-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB CC[C@H](C(=O)NCCc1cccc(Cl)c1)c1ccccc1 1466449 YHSZXNUPSURHFP-KRWDZBQOSA-N 301.817 4.193 0 40 DIAB Cc1cccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C 2069707 FMOZMJVHJGPXKN-UHFFFAOYSA-N 318.438 4.369 0 40 DIAB CC(C)c1ccc([C@H](C)NC(=O)c2cccc(N(C)C)c2)cc1 3410393 NTLRRADSXYBVFO-HNNXBMFYSA-N 310.441 4.367 0 40 DIAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccccc1F 4678697 AKIOMCPRVZVARL-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB CC(C)NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971391 RCRGTQLZKKJCOH-UHFFFAOYSA-N 316.401 4.028 0 40 DIAB O=C(Nc1nccs1)c1ccc(OCCc2ccccc2)cc1 4992945 PTUORFDNOWZRJB-UHFFFAOYSA-N 324.405 4.017 0 40 DIAB CCCCn1nc(NC(=O)C(C)C)c2cc3cc(C)ccc3nc21 5100727 KHQDMMWRQKIOQT-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C 7547638 CTTJIBHXEKHLJS-GOSISDBHSA-N 324.424 4.176 0 40 DIAB C[C@@H](NC(=S)NC1CCCCC1)c1cc2ccccc2o1 7970151 ADPQNOKWEVBEIC-GFCCVEGCSA-N 302.443 4.291 0 40 DIAB NC(=O)c1ccc(OCc2sc3ccccc3c2Cl)cc1 8735167 KLKRWSQEPNXRSP-UHFFFAOYSA-N 317.797 4.233 0 40 DIAB COc1ccc(OC)c(NC(=O)/C=C/c2cc3ccccc3o2)c1 8777846 TXQATBKSDJVTIB-CSKARUKUSA-N 323.348 4.102 0 40 DIAB CCn1/c(=N\C(=O)c2cccc(Cl)c2)sc2ccccc21 12180870 ASTQKQDUJAGACZ-FBMGVBCBSA-N 316.813 4.117 0 40 DIAB Cc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)nc1 12523449 KRXPGMLVPQBILY-UHFFFAOYSA-N 312.316 4.254 0 40 DIAB Cc1cn2c(/C=C/c3ccc4cccc(O)c4n3)c(C)nc2s1 12529466 LDJUDSQDQUAIJR-CMDGGOBGSA-N 321.405 4.437 0 40 DIAB CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1 14629494 JNBXNNXDLUOYHQ-UHFFFAOYSA-N 310.275 4.038 0 40 DIAB Cc1ccc(SCCNC(=O)/C=C/c2ccc(F)cc2)cc1 14803387 JGXDYZALWVCMID-IZZDOVSWSA-N 315.413 4.056 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1 23682534 RZQGEUXFRVKHIR-HNNXBMFYSA-N 324.449 4.290 0 40 DIAB COc1ccc(OCc2c(Cl)cccc2Cl)c(CO)c1 37093858 KHFRNTXXAXNIPH-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB Cc1nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)sc1C 40012197 ZYXIKPWAWUHPDO-NOZJJQNGSA-N 304.415 4.048 0 40 DIAB CN(Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 40096029 BGJMNJNFTVPXNH-UHFFFAOYSA-N 308.303 4.369 0 40 DIAB O=C(c1cnc2ccccc2c1)c1ccccc1C(F)(F)F 45028935 MVVNMDBIOCSAJR-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB O=[S@@](Cc1cccc(F)c1)Cc1csc(C2CCCC2)n1 69743429 PKNWAKCTRSVHHZ-OAQYLSRUSA-N 323.458 4.389 0 40 DIAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nnc(-c2cccs2)o1 70009689 CQALLBXIFDLMQQ-NSHDSACASA-N 317.389 4.130 0 40 DIAB Cc1ccc(/C=C/CCN2C(=O)c3ccccc3C2=O)cc1C 71405426 IBNTYOZFWPEUJQ-FNORWQNLSA-N 305.377 4.003 0 40 DIAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)C1CCC1 72401980 NMXDRRFLUSMCAI-UHFFFAOYSA-N 307.353 4.094 0 40 DIAB C[C@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)C1CCCC1 78657678 SBTCLVDIHUYVQN-SNVBAGLBSA-N 306.349 4.124 0 40 DIAB CCOc1ccc2nc(COc3ccccc3Cl)[nH]c2c1 82087024 MXTAVLYRGVGPNF-UHFFFAOYSA-N 302.761 4.194 0 40 DIAB O=C(Nc1cccc(C(F)F)c1)N1CCCC[C@@H]1c1ncc[nH]1 88378248 AOYFUZYSJGORGH-CYBMUJFWSA-N 320.343 4.106 0 40 DIAB Fc1ccc(/C=C/CN2CCC(Cc3cccnc3)CC2)cc1 96003634 VQPITKOPASEPNM-DUXPYHPUSA-N 310.416 4.189 0 40 DIAB O=C(OC1CCCCCC1)c1snnc1-c1ccc(F)cc1 223840969 RARSIMRXQFDLSM-UHFFFAOYSA-N 320.389 4.224 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccccc2Cl)C(=O)O)c1 225056854 RTUMYMAYUZWCTM-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225473192 UBPAURLYCOQLFY-LBPRGKRZSA-N 318.417 4.272 0 40 DIAB C[C@H](NC(=O)CCc1cn(C)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 248382745 XYTAHKCVYAVMAD-FPXQBCRKSA-N 324.468 4.052 0 40 DIAB O=C(c1cccc(OC(F)(F)F)c1)C(Cl)(Cl)Cl 575359173 UTJMQAOKPVAGSA-UHFFFAOYSA-N 307.482 4.138 0 40 DIAB Cc1ccc(N2N[C@@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1C 93151 VYTAONWKLRDLIJ-KZULUSFZSA-N 317.502 4.045 0 40 DIAB CC[C@@H](C)C[C@@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 382310 BNXYDEABTXEYNL-PXAZEXFGSA-N 305.491 4.045 0 40 DIAB Cc1ccnc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 383396 FSUJUFLZGYFLEM-UHFFFAOYSA-N 311.332 4.218 0 40 DIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1 1427777 YMSKONPFQZCVPL-UHFFFAOYSA-N 322.364 4.164 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc(F)c(F)c(F)c2F)c(C)c1 3166624 UBBCTUGCSYWEGX-UHFFFAOYSA-N 311.278 4.421 0 40 DIAB CCCN(CC1CC1)C(=S)Nc1ccc(OC(F)F)cc1 3257747 QCESDLGDGVXKNW-UHFFFAOYSA-N 314.401 4.107 0 40 DIAB CC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1C 4070140 AZGZZODJDURWJP-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c(C)c1 5264451 ARXPCQNGMASGBT-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB Cc1nc2ccccc2n1C(=O)c1cc(Cl)ccc1Cl 5635042 FMIMTYOBQBMTMW-UHFFFAOYSA-N 305.164 4.340 0 40 DIAB COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 6897175 PGNVRGXVXBEQLQ-KRWDZBQOSA-N 312.438 4.059 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCOc1ccccc1C 7406845 IFEUPXNDRJCGFN-UHFFFAOYSA-N 303.789 4.364 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 7935338 NGYQOXPWRVKNJJ-CQSZACIVSA-N 315.438 4.431 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1oc2ccccc2c1C 8429600 PIYZAHGLNFKGIA-UHFFFAOYSA-N 309.321 4.000 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c1 12550358 GIIZJNYODKDVGC-UHFFFAOYSA-N 323.396 4.012 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710246 BAAZUUBXOWOWPD-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc2ccccc12 15741588 YIPDPVPJASPFCM-CYBMUJFWSA-N 319.360 4.060 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2)c(SC(=O)N(C)C)c1 18194544 IYLPZVJWOOVUAI-UHFFFAOYSA-N 314.410 4.021 0 40 DIAB O=C(Nc1ccccc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 18284673 MMOSXTJWJAFEOQ-CAPBHKODSA-N 324.251 4.481 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 20029692 SZGHWBJVRDUYLD-MRVPVSSYSA-N 313.706 4.248 0 40 DIAB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(OC)cc1 20456042 FMRJTBJOQLWYCF-KRWDZBQOSA-N 315.438 4.055 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)c1cnc2onc(C(C)C)c2c1 21305087 ZAAFDXQCIIEKGO-CYBMUJFWSA-N 323.396 4.146 0 40 DIAB Cc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 24700237 UJBPEVBBLRUMRA-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1sccc1-n1cccc1 32902533 WPYVZXOKFWCAHY-UHFFFAOYSA-N 322.433 4.000 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cc(-c2cccnc2)on1 32926043 ZZKJRZCEJLWNDC-UHFFFAOYSA-N 321.380 4.114 0 40 DIAB CN(C(=O)Nc1cccnc1)C1CCC(c2ccccc2)CC1 47565411 ZFVDJUJUUODAKE-UHFFFAOYSA-N 309.413 4.272 0 40 DIAB c1ccc2oc(CCCSc3ncnc4ccccc34)nc2c1 48374608 JFQBACZJVWYYHO-UHFFFAOYSA-N 321.405 4.496 0 40 DIAB Oc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1Cl 53193493 IOCZKEDCWYJXEJ-GOSISDBHSA-N 310.784 4.029 0 40 DIAB c1ccc(-c2cnn(Cc3cc(-c4ccccc4)on3)c2)cc1 58377773 ACHIBXNFLWRSEX-UHFFFAOYSA-N 301.349 4.253 0 40 DIAB Cc1csc(N(C(=O)/C=C/c2ccccn2)c2ccccc2)n1 60868762 VQMIPMWIGCFOMF-ZHACJKMWSA-N 321.405 4.225 0 40 DIAB O=[S@](Cc1csc(C2CCCC2)n1)Cc1ccccc1F 69816323 XQXNZSWCMRSJBU-OAQYLSRUSA-N 323.458 4.389 0 40 DIAB Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2cc(C)sc2C)n1 75969984 NGFZVSAFKVUUQM-QWRGUYRKSA-N 323.487 4.251 0 40 DIAB Cc1ccc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cn1 79652883 LWGLBLJPRRMSRQ-UHFFFAOYSA-N 323.421 4.062 0 40 DIAB COc1cc(CO)c(Cl)cc1OCc1cccc(Cl)c1 95095048 UHMWTWSDKHVPDG-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB COC(=O)Nc1cccc(NCCc2ccccc2Cl)c1 95454345 BBVPBOHJBBHCEK-UHFFFAOYSA-N 304.777 4.173 0 40 DIAB Cc1nnc(CCCSc2nc3ccccc3n2C(C)C)o1 96488977 VUTQVZKSWLUQCK-UHFFFAOYSA-N 316.430 4.034 0 40 DIAB Cc1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 109532 ZNEBIGIOXZDJPT-MRXNPFEDSA-N 319.408 4.196 0 40 DIAB CC(C)Oc1cccc([C@@H]2CC(=O)c3cc(F)ccc3O2)c1 125042 GRGPNZNNKWKELK-SFHVURJKSA-N 300.329 4.319 0 40 DIAB biogenic CC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1Cl 161349 QSEWYXDQWOGHNV-UHFFFAOYSA-N 312.122 4.352 0 40 DIAB CCc1ccc(-c2cn3cc(Br)ccc3n2)cc1 1291507 WHLIRYGQYQPKAL-UHFFFAOYSA-N 301.187 4.326 0 40 DIAB COc1cc(OC)c(NC(=O)c2cccc(C)c2C)cc1Cl 2650388 YRJUNXJOFNKWLK-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB O=C(Nc1ccccc1)N1CCSc2cc(Cl)ccc21 3016146 XNKGDDGQRYAYNK-UHFFFAOYSA-N 304.802 4.484 0 40 DIAB CCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4843909 OIKLSPRMYLRBPV-UHFFFAOYSA-N 319.489 4.446 0 40 DIAB C[C@]12CC[C@H](O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5029796 CGAUTMWHFOZKBU-HTPMCXQFSA-N 306.490 4.141 0 40 DIAB CC[C@H](C)NCCCCCNc1cc(OC)cc2cccnc12 5422766 QOKIJSHQBQJAKF-HNNXBMFYSA-N 315.461 4.214 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1F 5860658 XTADQAKYMPTGDZ-UHFFFAOYSA-N 301.361 4.275 0 40 DIAB CCCCCC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 6595225 MEZREIPNUDMKOQ-UHFFFAOYSA-N 313.445 4.147 0 40 DIAB Cc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c1C 7454775 YQSHDPQPQMWNFY-OAHLLOKOSA-N 314.404 4.074 0 40 DIAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCCC1 8401566 UIEGHFSONHZORK-INIZCTEOSA-N 303.402 4.283 0 40 DIAB O=C(NCc1ccccc1COc1ccccc1)c1ccccc1 11454137 ALNRPBSRCHOBOY-UHFFFAOYSA-N 317.388 4.196 0 40 DIAB CCc1ccc(OCCSc2nc3ccccc3n2C)cc1 11667480 LAERKYBIECTVCY-UHFFFAOYSA-N 312.438 4.307 0 40 DIAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc2ccccc2o1 12935345 KBRZZFFUYOSXIZ-UHFFFAOYSA-N 320.348 4.034 0 40 DIAB CCCc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1 13939108 QWRKTCXGERHAQX-UHFFFAOYSA-N 311.491 4.132 0 40 DIAB Cc1cc(C(=O)Nc2ccccc2C(C)(C)C)c2c(C)noc2n1 14206266 JBFXGSFJOWHPPO-UHFFFAOYSA-N 323.396 4.389 0 40 DIAB CCc1cccc(C)c1NS(=O)(=O)Cc1ccc(Cl)cc1 14291482 VVLAZCCENHVJDH-UHFFFAOYSA-N 323.845 4.153 0 40 DIAB C[C@H]1CN(C[C@@H]2CCCCCCCCCCC2=O)C[C@@H](C)O1 16911530 KSYWAODCCAPCLX-KSZLIROESA-N 309.494 4.196 0 40 DIAB C[C@@H]1C[C@@H](C)CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C1 19717988 SOOJUBAOVLBMML-HUUCEWRRSA-N 320.440 4.103 0 40 DIAB CC[C@H](C)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19889693 BWIZVCZPDZIFHQ-SFHVURJKSA-N 324.468 4.395 0 40 DIAB CC(C)CCN1C(=O)c2ccccc2[C@H]1OCc1ccccc1 23467602 JLKHMYVONMSSEF-HXUWFJFHSA-N 309.409 4.404 0 40 DIAB O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1ccccc1)c1ccccc1 26905887 IOCNLHFTIWBOHS-QUCCMNQESA-N 305.421 4.443 0 40 DIAB CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCc2ccccc21 29257966 SXPJHLWYRCVRER-QGZVFWFLSA-N 301.336 4.114 0 40 DIAB O=C(Nc1ccncc1)c1cc(-c2ccco2)nc2ccccc12 31817844 HAMDJTUBNRNRFD-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB O=C(Oc1ccc2c(-c3ccc(F)cc3)noc2c1)c1ccco1 32072072 KZMLWWOEDHXNRW-UHFFFAOYSA-N 323.279 4.446 0 40 DIAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)cc1 35616494 NJKSNDCJMSVDTH-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB CC(=O)c1sc(Nc2ccccc2)[n+](Cc2ccccc2)c1C 36719751 UCFVPTKFYGKLGP-UHFFFAOYSA-O 323.441 4.339 0 40 DIAB Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1 38440844 JONFDFIXMPXTRH-UHFFFAOYSA-N 313.364 4.139 0 40 DIAB in-vivo O=C(Nc1cccc(COCc2ccco2)c1)NC1CCCC1 47602576 PBWPFBUXVKISGX-UHFFFAOYSA-N 314.385 4.061 0 40 DIAB O=C1N[C@H](c2cc(-c3ccccc3)cs2)Nc2ccccc21 48375073 CAAPZKTYMYJCKM-QGZVFWFLSA-N 306.390 4.269 0 40 DIAB CCOc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1OCC 59240076 HCRBCUAUPNKYNN-UHFFFAOYSA-N 321.461 4.238 0 40 DIAB Cc1ccccc1[C@@H](C)Nc1cnn(C(C)(C)C)c(=O)c1Cl 67711632 LKNVLAVSZYRCAP-GFCCVEGCSA-N 319.836 4.133 0 40 DIAB C[C@@H]1CCN(C(=O)Nc2cccnc2Cl)[C@@H](c2ccco2)C1 75546539 XPFJCFNCRZMIPY-DGCLKSJQSA-N 319.792 4.333 0 40 DIAB CC(C)c1cc(Br)ccc1NCc1ccc(CO)o1 89807231 UWPMEOANQMUVGU-UHFFFAOYSA-N 324.218 4.270 0 40 DIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 102371481 SFXIUBLQLZXSLE-DVOMOZLQSA-N 321.848 4.244 0 40 DIAB Fc1c(F)c(F)c2c(c1F)[C@@H]1[C@H]3[C@H]4[C@H]5[C@@H]3[C@@H]2[C@@]52CC=CC[C@@]412 104289915 RMIRWSAILJSANE-DTHBJUJQSA-N 304.286 4.266 0 40 DIAB CC(C)[C@@H](C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 225229828 HONOJNWAIDYYTJ-SNVBAGLBSA-N 320.285 4.387 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccccc1 225480677 RRQKZNXFRMYPSP-HNNXBMFYSA-N 306.381 4.403 0 40 DIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)nc1C 225908181 PCIFCKJIPNLIMP-GOSISDBHSA-N 322.449 4.103 0 40 DIAB COc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 226291263 JONMZPKVUSCFHK-OAQYLSRUSA-N 320.388 4.453 0 40 DIAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1 408587194 RZKNIGUFCPDVDP-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 1609261 AQEULMJKGLWMDF-UHFFFAOYSA-N 320.783 4.323 0 40 DIAB Cc1csc(NC(=O)CCCOc2ccc(Cl)c(C)c2)n1 3248944 JGYDCNCTXBSSQN-UHFFFAOYSA-N 324.833 4.211 0 40 DIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1 3503911 NEKYXLXHAGVURF-LLVKDONJSA-N 314.435 4.416 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4081538 YWYQTGBBEZQBGO-ZVPCKFNKSA-N 320.517 4.387 0 40 DIAB biogenic,in-vivo C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@]3(CC1=O)C2 4894749 KFVUFODCZDRVSS-KENNEREKSA-N 318.457 4.443 0 40 DIAB Cc1cc2oc(=O)cc(CN[C@@H]3CCCC[C@H]3C)c2cc1Cl 6552423 KFVKPVKLMZZWSZ-BDJLRTHQSA-N 319.832 4.423 0 40 DIAB O=C(c1ccc2ccccc2n1)N(Cc1ccccc1)C1CC1 6670676 HMQIJZYSWGFNPF-UHFFFAOYSA-N 302.377 4.040 0 40 DIAB CC1(C)[C@@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@@]1(C)C(=O)O 6855899 OYOJTMJWKBYBKK-HWPZZCPQSA-N 306.793 4.211 0 40 DIAB CCCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 7641360 BKHKYCNWPPSZHA-UHFFFAOYSA-N 304.415 4.338 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C)cc(C)c1 8495870 PPENBCKLQGUAFU-INIZCTEOSA-N 313.397 4.108 0 40 DIAB Cc1cccc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8707545 WNHBMZLOLHGOOD-SFHVURJKSA-N 321.380 4.083 0 40 DIAB Cc1ccsc1/C=C(\Cl)c1nc2c(C)cccc2c(=O)[nH]1 11332648 FRYSMVKLLXKQKV-WQLSENKSSA-N 316.813 4.338 0 40 DIAB Fc1ccc(-c2n[nH]cc2CNCc2ccc(Cl)cc2)cc1 12529389 AQYBIMSGCHVUKO-UHFFFAOYSA-N 315.779 4.159 0 40 DIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 12623697 XZOBPCYHLAFDGI-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 12882383 HDSQQDBUCBJLDV-INIZCTEOSA-N 319.404 4.404 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1 20050479 UOFCWWNTFNGTGR-INIZCTEOSA-N 319.788 4.145 0 40 DIAB COc1ccc(F)cc1C(=O)c1cc2cc(Cl)ccc2o1 25204850 UHARXJDVPHRPQG-UHFFFAOYSA-N 304.704 4.465 0 40 DIAB c1coc(CNc2nc(N3CCCCCC3)nc3ccccc23)c1 27755059 JEQXWCHOFMFQDX-UHFFFAOYSA-N 322.412 4.215 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 29515437 UDOKTPALCQSFLA-STQMWFEESA-N 314.454 4.237 0 40 DIAB O[C@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 32131003 ZXPLMKPRHWPRMQ-JOCHJYFZSA-N 317.432 4.422 0 40 DIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1 40160064 OUELSXOIMNPITQ-UHFFFAOYSA-N 324.302 4.142 0 40 DIAB Cc1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2=O 40453848 FSRPVILMFUSPCI-UHFFFAOYSA-N 320.175 4.031 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 46729852 WGXGCJMERPVWPM-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB CCCCCOc1ccc([C@@H](C)NC(=O)C2CCC2)cc1OC 48325370 DDVBGIHPTWJGTH-CQSZACIVSA-N 319.445 4.242 0 40 DIAB Cc1ncsc1C(=O)N(c1ccc(F)cc1Cl)C(C)C 71911018 GBJIKJGIAZDJRP-UHFFFAOYSA-N 312.797 4.299 0 40 DIAB Cc1csc([C@@H](OC(=O)c2sccc2C)C(F)(F)F)n1 75568036 NIODMFXVPDBHNT-SECBINFHSA-N 321.345 4.282 0 40 DIAB CC(C)Oc1ccccc1C[S@@](=O)Cc1ccccc1F 78556013 VZFAZOWECAAMAA-OAQYLSRUSA-N 306.402 4.062 0 40 DIAB Cc1[nH]c(=S)c(C(=O)Nc2ccccc2)c2c1CC[C@@H](C)C2 95117562 YRQWHFROLPZGQX-LLVKDONJSA-N 312.438 4.430 0 40 DIAB CC(C)n1cc([C@@H](C)N[C@@H](c2ccccc2)c2ccccn2)cn1 95419299 LQSMNTHXMMGWTE-UZLBHIALSA-N 320.440 4.299 0 40 DIAB CCc1nc([C@H](C)N[C@H](C)c2ccc(OC)cc2OC)cs1 95422322 ORWYBKLXTRXAJS-NEPJUHHUSA-N 320.458 4.135 0 40 DIAB CCCn1c(C)nnc1CN[C@H](C)c1ccc2ccccc2c1 95984199 DUMCLJLYMZJEKF-CQSZACIVSA-N 308.429 4.001 0 40 DIAB CC(C)n1c(C(=O)N2CCC[C@H]2C)cc2c1c1ccccc1n2C 96264169 QYRVMKUYLGEFLE-CQSZACIVSA-N 323.440 4.338 0 40 DIAB COC[C@H](N[C@@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 97017184 QDQIJUZWMADYLC-AAEUAGOBSA-N 322.474 4.380 0 40 DIAB Nc1cccc(C(=O)OC2c3ccccc3-c3ccccc32)c1 216851179 YOTXRAFNSOVJEZ-UHFFFAOYSA-N 301.345 4.196 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccc(C)cc1C 222828209 MNDBVKJHMGJGSD-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB COC(=O)C(C)(C)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223205796 ZNMUNKXETDPMQL-UHFFFAOYSA-N 307.821 4.294 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 224131427 JAQGGEFFVKOMJA-KBPBESRZSA-N 311.853 4.440 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1 224292961 DJUJEMBIZJBNPM-CVEARBPZSA-N 323.436 4.210 0 40 DIAB Fc1cccc(F)c1NC(=S)NCc1ccccc1Cl 225371657 ZYRBMICZZOOZON-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB O[C@@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 254286818 ASUIJTQOWIPBJV-CIAFKFPVSA-N 321.464 4.206 0 40 DIAB Cc1nc(-c2ncc(C)s2)cc([C@H]2CCCCN2C(C)C)n1 257324832 WQJRXMMTIRLSQQ-MRXNPFEDSA-N 316.474 4.152 0 40 DIAB Cc1cccc(C)c1OCCn1c(C(=O)O)c(C)c2ccccc21 585267611 QFQUVHWHFFBDKA-UHFFFAOYSA-N 323.392 4.344 0 40 DIAB O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(Cl)cc1 1615140741 YWOBDJMCQSCKRU-ROUUACIJSA-N 307.865 4.041 0 40 DIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1Cl 430875 VTOFPJIQRXTHBK-ZROIWOOFSA-N 318.159 4.338 0 40 DIAB COC(=O)c1c(C)n(CCC2CCCC2)c2ccc(O)cc12 1099718 CTWHMXOGCIIBSC-UHFFFAOYSA-N 301.386 4.022 0 40 DIAB CNc1nc(Sc2ccccc2Cl)cc(C(F)(F)F)n1 1396770 MNCZMNDJYSIDQQ-UHFFFAOYSA-N 319.739 4.342 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2C)c1C 3455937 QPQIXVKRVPZWNA-UHFFFAOYSA-N 304.777 4.048 0 40 DIAB COc1ccccc1NC(=O)CSc1ccc(Cl)cc1 3603911 XTAOKXHWEBEIKW-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 3608689 ZEVJCPJDBLWQTC-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB FC(F)Oc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 3888111 VIWLPYISTUWEGD-UHFFFAOYSA-N 307.384 4.346 0 40 DIAB C[C@H](c1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 4616926 PLRZHHZKCFGIJK-CYBMUJFWSA-N 301.345 4.197 0 40 DIAB C[C@H]1CCCCN1P(c1ccccc1)N1CCCC[C@@H]1C 5328661 IXYQVEWDGLGTQK-IRXDYDNUSA-N 304.418 4.373 0 40 DIAB Cc1c(Cl)c(CSc2nccn2C)nc2ccccc12 7901147 AYFBWJUCBMHAFX-UHFFFAOYSA-N 303.818 4.222 0 40 DIAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(Cl)s2)c1 8159067 QZDYIKUXJGHQSM-UHFFFAOYSA-N 322.861 4.089 0 40 DIAB CC[C@@H](C)NCc1cccc(OC)c1OCc1ccccc1F 8326034 OMDSZNXVWYXLRO-CQSZACIVSA-N 317.404 4.301 0 40 DIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 8707569 QLJCRRMXKWOPEE-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 9113761 ZDWJKHSHMLOFIT-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 11231671 PAPALOKAPVEFTI-WHWKNOJMSA-N 315.413 4.436 0 40 DIAB O=C(NCCc1cccs1)c1ccccc1Nc1ccccc1 12596188 YOKWNERANRMENH-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(F)cc1F 12824865 BQNNQZRGNBDBRE-UHFFFAOYSA-N 301.336 4.025 0 40 DIAB CCOc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12 12967961 PLPKNGWILGCVAY-UHFFFAOYSA-N 305.337 4.145 0 40 DIAB COc1cccc(N2CCc3c(C)nc4c(F)cccc4c32)c1 13161680 OCJHEKFICQAIMY-UHFFFAOYSA-N 308.356 4.385 0 40 DIAB Cc1ccccc1NC(=O)c1cccnc1NC1CCCCC1 22072526 ZVACLQLCMLLHQV-UHFFFAOYSA-N 309.413 4.387 0 40 DIAB CN(C)[C@H](CNc1nc2ccccc2o1)c1ccccc1Cl 29336025 GQLBWGFJDUCKFE-OAHLLOKOSA-N 315.804 4.196 0 40 DIAB C[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 40145048 FIDCIULVGFDRRR-GFCCVEGCSA-N 312.800 4.355 0 40 DIAB Clc1ccc(NCc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 40174511 NTBJCIMDDHPRCH-UHFFFAOYSA-N 319.195 4.391 0 40 DIAB O=C(c1ccc(-c2ccccc2Cl)s1)N1CCSCC1 40268332 KOMZBGZOIOWJMQ-UHFFFAOYSA-N 323.870 4.258 0 40 DIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCCCC1 48255642 RNLJAAXMRJXJJR-UHFFFAOYSA-N 317.433 4.044 0 40 DIAB O=C1N[C@@H](c2cc(-c3ccccc3)cs2)Nc2ccccc21 48375074 CAAPZKTYMYJCKM-KRWDZBQOSA-N 306.390 4.269 0 40 DIAB O=C(CCc1ccccn1)N1CCC[C@@H]1c1cccc(Cl)c1 79297809 UXNNRSRYUNBMOB-QGZVFWFLSA-N 314.816 4.031 0 40 DIAB CCC[C@@]1(CCN[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96115345 UWNBQNKLNFHFPE-QFBILLFUSA-N 311.510 4.299 0 40 DIAB biogenic F[C@H](Oc1ccc(Br)cc1)[C@H](F)C(F)(F)F 97437825 OWPBPPDASUOTOE-JGVFFNPUSA-N 305.040 4.024 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 113959646 FMRODRRJSMYYSA-KSSFIOAISA-N 315.388 4.169 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(C)c3)N21 222640354 RAINCGWTVZYUAZ-BPQIPLTHSA-N 323.465 4.369 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223245935 CYAWPFYNYHJYJM-MGPUTAFESA-N 323.436 4.210 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1cc2cccc(OC)c2o1 224096698 BEUZDSWRVDUMQM-ZDUSSCGKSA-N 303.402 4.388 0 40 DIAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 224691144 XLHPLLNPOVQISL-UHFFFAOYSA-N 317.454 4.135 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225729178 VFYSZABFXFGBPM-KSSFIOAISA-N 307.434 4.398 0 40 DIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1 225907049 CYBQWHQTWIYWGC-SFHVURJKSA-N 322.449 4.184 0 40 DIAB O=C(O)c1ccc(-c2ccccc2NC(=O)C2CCCCC2)o1 226351824 YIRQLIISEAJUHE-UHFFFAOYSA-N 313.353 4.164 0 40 DIAB Cc1cc2cc([C@@H](C)NCC(C)(C)CCCO)oc2cc1C 539038923 PHSUCXSFJYPTRS-OAHLLOKOSA-N 303.446 4.499 0 40 DIAB Oc1ccccc1OC(F)(F)C(F)(F)c1ccc(F)cc1 1083809793 JUZJLROKFDWYGH-UHFFFAOYSA-N 304.214 4.295 0 40 DIAB COC(=O)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1 151693 ZZFIOQNLMUMVJB-UHFFFAOYSA-N 324.767 4.251 0 40 DIAB CC(=O)c1c(C(C)=O)c(C)n(-c2cccc3cccnc23)c1C 535877 YHCBWNXBJITCDQ-UHFFFAOYSA-N 306.365 4.048 0 40 DIAB Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2o1 1384461 QVTIYNCAFMSHLW-UHFFFAOYSA-N 320.270 4.407 0 40 DIAB O=C(c1cccc(CN2CCC2)c1)c1cc(Cl)ccc1Cl 2515141 YWHFYBAXEFZUAK-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1 3353501 KBNJEJDTJYTMLA-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB O=C(COc1cccc2ccccc12)Nc1ccc(F)c(F)c1 3386300 IMOXCBGTZDAJQH-UHFFFAOYSA-N 313.303 4.136 0 40 DIAB CCCCOC(=O)c1cc(C)nc2ccc(Br)cc12 4832558 ZSHGZDRUCZVLKJ-UHFFFAOYSA-N 322.202 4.263 0 40 DIAB O=C(Cc1ccccc1)N[C@@H]1Cc2ccccc2-c2ccccc21 4972508 FQXDMEHPSSDWHD-OAQYLSRUSA-N 313.400 4.310 0 40 DIAB CC(=O)c1c(O)c(C(C)(C)C)c(C(C)=O)c(O)c1C(C)(C)C 5379163 PFEOPHYYLZEOJH-UHFFFAOYSA-N 306.402 4.098 0 40 DIAB CN(C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 5393731 WIKPDVCCTOFPDP-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB Cc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1 5753009 DLHWRQLKRFNZPE-UHFFFAOYSA-N 321.401 4.340 0 40 DIAB CSCc1ccc(C(=O)OCc2nc3ccccc3s2)o1 6542803 IGCZJBKUFHDERS-UHFFFAOYSA-N 319.407 4.109 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 6790532 SHTTVNAMNKAVQF-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB COc1ccc2nc(SCc3cc(C)ccc3OC)[nH]c2c1 7286833 ZEKIBKYKOFKQJH-UHFFFAOYSA-N 314.410 4.181 0 40 DIAB CN1C(=O)c2cc(NC(=O)C(C)(C)C)ccc2Oc2ccccc21 9827790 FNPZPXCOEGDKRL-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB CN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1CC2 12792464 OXBUVWDJWPOTNM-UHFFFAOYSA-N 323.417 4.379 0 40 DIAB CCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 13646157 VPSOBSKDUZWFJV-UHFFFAOYSA-N 311.425 4.313 0 40 DIAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCCC1 14161829 VNLMSTIEWLNMDY-UHFFFAOYSA-N 306.818 4.090 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(C)cc1C 20050505 TWEZAZLHXBBNCK-YBHKSSGVSA-N 309.409 4.203 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(C)cc1 20107895 QVGNTJGDQGZEOS-SFHVURJKSA-N 311.425 4.086 0 40 DIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCC1 22245667 NHMILNMYCBIABW-UHFFFAOYSA-N 319.405 4.007 0 40 DIAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C)cc1 24833947 TZFFUKOHVVZVOW-UHFFFAOYSA-N 315.442 4.191 0 40 DIAB Cc1cccc(NC(=O)NCc2coc(-c3cccs3)n2)c1 32862375 ZCWRIMDDTMIZRM-UHFFFAOYSA-N 313.382 4.033 0 40 DIAB CN[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 35462924 UZFSWTZILMXUJB-CQSZACIVSA-N 310.622 4.411 0 40 DIAB in-vitro Cc1cc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)c(C)s1 40074304 QURSIXILLAIPMM-LBPRGKRZSA-N 312.438 4.266 0 40 DIAB Cc1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1 44239660 SEYHMBWVKJDZJM-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(F)c1 44900196 HCXVEDCNLFLTFN-INIZCTEOSA-N 301.361 4.239 0 40 DIAB Nc1cc(Nc2ccccc2Cl)nc(-c2ccccc2F)n1 49467891 WIXUZNFCXSKAFG-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB O=CNc1cc(-c2ccccc2C(=O)O)ccc1-c1ccccc1 66323448 MVGOWEZFEKWWDR-UHFFFAOYSA-N 317.344 4.287 0 40 DIAB CCOCc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)C1 71844121 HGSFGUSMQPUVIV-KRWDZBQOSA-N 324.424 4.245 0 40 DIAB COc1cccc(-c2cc(-c3ccccc3Cl)nc(N)n2)c1 71977830 DTFFPOSTBXNPIR-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1 78458683 ZJRWTFKVWNOCRY-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CC(C)n1cnnc1S[C@H](C)Cc1nc2ccccc2s1 83594936 GHHAYFJJWSZFKQ-LLVKDONJSA-N 318.471 4.192 0 40 DIAB Clc1cccnc1SCc1cnn(-c2ccccc2)c1 95348592 ZZFWJUIZWDTAKC-UHFFFAOYSA-N 301.802 4.213 0 40 DIAB Cc1cccc2cc(C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)oc12 95449014 ATSAJEWLYDWUCA-HOCLYGCPSA-N 315.413 4.065 0 40 DIAB c1cc(Cc2csc(Nc3ccc4c(c3)OCO4)n2)cs1 96124520 ZTRAGROPJIGSKU-UHFFFAOYSA-N 316.407 4.268 0 40 DIAB O=C(O[C@H](c1ccccc1)c1cccnc1)C1[C@@H]2CCCC[C@@H]12 108354242 QANPMTLVNCGFAP-ZHALLVOQSA-N 307.393 4.150 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113951615 XQDHDEZMMOJHDD-KBXCAEBGSA-N 315.388 4.169 0 40 DIAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1ccccn1)CC2 186105044 OEHLIVGBMPKWIX-KUHUBIRLSA-N 323.440 4.253 0 40 DIAB CCc1c(-c2cc(F)ccc2F)nn(Cc2ccccc2)c1N 199750091 GHJORXCEODFUDS-UHFFFAOYSA-N 313.351 4.021 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1 225159534 AEBCLMPEQCMBMC-HNNXBMFYSA-N 315.457 4.172 0 40 DIAB COc1ccc(CCC(=O)Nc2cccc(OC(C)C)c2)cc1 225315864 MZZYFUXTFMIGOC-UHFFFAOYSA-N 313.397 4.054 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1 225546338 XWOLTOLBJPSIFQ-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB COc1cc(C)c(C(=O)NCCCc2ccco2)cc1C(C)C 225669595 ZNKOMQHMLKALPL-UHFFFAOYSA-N 315.413 4.083 0 40 DIAB Cc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1 226240516 SDKPIPZRBZGEDX-UHFFFAOYSA-N 316.832 4.097 0 40 DIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccs1 55302 GXTYCIXGTOUVQS-KPKJPENVSA-N 324.188 4.399 0 40 DIAB Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 364040 JDPAJUXTGMMWRM-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1C 422963 SSJSVENFSKCLFV-QFBILLFUSA-N 308.381 4.073 0 40 DIAB CC(C)(C)c1ccc2c(c1)CN(c1cccc(C(=O)O)c1)CO2 534118 GTQSUFLMAIBJIQ-UHFFFAOYSA-N 311.381 4.039 0 40 DIAB COc1ccccc1NC(=O)Nc1cc(C(C)C)c(O)cc1C 1667342 DRBOHXLMSQZANG-UHFFFAOYSA-N 314.385 4.477 0 40 DIAB O=C(CSc1ccc(Br)cc1)c1cccs1 3217759 CVOGOAWSNXBKOT-UHFFFAOYSA-N 313.241 4.486 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1ccc(Cl)cc1Cl 3603098 QKKDWSSJADTFSI-RMKNXTFCSA-N 306.192 4.323 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 4679179 GSILBSANXVWBMR-NUNBJPPLSA-N 310.353 4.016 0 40 DIAB C=C(c1ccccc1)[n+]1ccc(/C=C/c2ccccc2O)cc1 4903993 VEJASOVVJQXRJK-UHFFFAOYSA-O 300.381 4.369 0 40 DIAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 5557515 CEBZVRDOEQOYOX-HNNXBMFYSA-N 319.408 4.068 0 40 DIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(F)cc1 5558706 OBRKNFGOBITHPC-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccncc2)N3)C1 6247100 JOLZASFSZCJYLS-ZUZCIYMTSA-N 313.426 4.087 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O 6323996 KFLOUHMPUMHLLH-PKVLTRFUSA-N 319.426 4.310 0 40 DIAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(Cl)c1 8033936 WARAYTRWIUBEFI-GFCCVEGCSA-N 312.800 4.241 0 40 DIAB CC(C)OCc1ccc(C(=O)Nc2cccc3ncccc23)cc1 8040056 AAMFRDAZAJVDBE-UHFFFAOYSA-N 320.392 4.412 0 40 DIAB CC(C)c1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1 8395607 JYIQQFCAOGQROK-OAHLLOKOSA-N 311.425 4.432 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)CC(C)C)C(=O)O 8732858 CJPRREVBEOWACI-AWEZNQCLSA-N 309.431 4.017 0 40 DIAB COc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 9112111 XXBQQUGSDWPGTO-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB CCCC(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 10883271 IMPLVQYGBNVMNI-UHFFFAOYSA-N 316.382 4.304 0 40 DIAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc1 12370997 CBQKEMLTVCLJGH-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB O=C(NCCSCc1ccccc1F)c1ccccc1Cl 13674600 FDRRMXBQHQFJMT-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB CC1(C)C[C@]2(CCCN(C(=S)Nc3ccccc3)C2)CCO1 13687831 NRMFQEXWQDJACQ-SFHVURJKSA-N 318.486 4.055 0 40 DIAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(C)cc1 14602628 ZCYSBPPCUHQIDV-MRXNPFEDSA-N 317.816 4.295 0 40 DIAB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C 15449349 VWAUPFMBXBWEQY-CGXNFDGLSA-N 310.437 4.276 0 40 DIAB biogenic,in-man CCN(CC)Cc1ccccc1COC(=O)/C=C\c1ccccc1 17004231 AZFOHNWKWORRRX-PFONDFGASA-N 323.436 4.285 0 40 DIAB O=C(NC1(c2ccccc2)CCC1)c1ccc2ncsc2c1 24982402 BGDUDBFHPBIPHA-UHFFFAOYSA-N 308.406 4.106 0 40 DIAB CC1(C)CSC(N(CC(=O)c2ccccc2)c2ccccc2)=N1 26442215 WYECLEYJRSHKSX-UHFFFAOYSA-N 324.449 4.257 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 31851963 XXLVZEIQBCNJFQ-OAHLLOKOSA-N 311.450 4.061 0 40 DIAB COc1cccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)c1 40051809 QDCAIHKEVRFVJV-AWEZNQCLSA-N 319.470 4.183 0 40 DIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(C)c1 40095429 BPWQOBOOWCWKMS-LBPRGKRZSA-N 304.340 4.464 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1Cl)Oc1ccc(Cl)cc1 40423768 AZFQYEHZWAXCFY-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CCc1cccc2c(Nc3ccc(C(=O)OC)cc3)ccnc12 64874799 DDXPROWKLJTWKM-UHFFFAOYSA-N 306.365 4.327 0 40 DIAB CC(C)(C)n1cc(NC(=O)c2cc3c(s2)CCCCC3)cn1 65923801 UEKADCRSRNBKKZ-UHFFFAOYSA-N 317.458 4.221 0 40 DIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C2CCCCC2)c1 71909291 OWWOAYQKBCXLDE-JOCHJYFZSA-N 321.486 4.253 0 40 DIAB COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)o1 97147910 BQOYGBSKNFVJQO-OAHLLOKOSA-N 319.788 4.057 0 40 DIAB Cc1ccccc1NC(=O)/C=C1\c2ccccc2CC(C)(C)N1C 100709478 FRLKGFIHEPEJQR-CPNJWEJPSA-N 320.436 4.241 0 40 DIAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922147 CXXCMUHCGHMKNQ-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2c(C)cccc2C(C)=CC1(C)C 223211086 GMVGPPLQVNFBCX-INIZCTEOSA-N 301.430 4.195 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(C)CC2)c1 224655138 XPKCOROURHHPAH-INIZCTEOSA-N 303.446 4.144 0 40 DIAB CCCOCc1cc(C(=O)Nc2ccccc2)ccc1OCC 224703978 IUHSFDBDLQCGMZ-UHFFFAOYSA-N 313.397 4.264 0 40 DIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 224991272 BJHZACYPNKMDCE-UHFFFAOYSA-N 307.821 4.114 0 40 DIAB O=C(O)[C@@H](Cc1ccc(F)cc1)Oc1cccc2ccccc12 225054729 NEQXJGIUTKAGPL-GOSISDBHSA-N 310.324 4.054 0 40 DIAB CCc1cc(N[C@H](C)c2nnnn2C2CCCCC2)ccc1F 506653702 KZCMHVIOBYCEEM-GFCCVEGCSA-N 317.412 4.053 0 40 DIAB CN(CCc1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 155733 AOKXNZKMZOZEMR-UHFFFAOYSA-N 311.429 4.086 0 40 DIAB Fc1ccc(NCc2nnc(SCc3ccccc3)o2)cc1 422087 OKPNHYNEUBRRCA-UHFFFAOYSA-N 315.373 4.113 0 40 DIAB CSc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1 564129 HBKNOXSPDUSNRM-KRWDZBQOSA-N 322.433 4.120 0 40 DIAB Cc1ccc(-c2csc(N[C@@H]3OC(=O)c4c#cccc43)n2)cc1 796170 SBRHUPNEMUHZLO-MRXNPFEDSA-N 320.373 4.000 0 40 DIAB Cc1sc2ncn3c(=S)[nH]nc3c2c1-c1ccc(F)cc1 1093149 RYFASWGYJYBDQM-UHFFFAOYSA-N 316.386 4.116 0 40 DIAB O[C@@H]1CCCc2nc3ccccc3c(NCc3ccccc3)c21 1851379 HERUZAOANPGYSY-GOSISDBHSA-N 304.393 4.217 0 40 DIAB in-man CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 3598087 WEXVNVPCHHJZFN-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB CC(C)[C@H](C(=O)N[C@H](C)c1ccncc1)c1ccc(Cl)cc1 5226926 QJHDKYJHBQENLR-DYVFJYSZSA-N 316.832 4.352 0 40 DIAB O=C(c1c(F)cccc1F)N1CCC(Cc2ccccc2)CC1 5900040 IYHLCTABYNJAGR-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB C[C@@H]1CNC(c2cccc(-c3ccc(-c4ccccc4)o3)c2)=N1 6488551 WAEHMWVHYABFND-CQSZACIVSA-N 302.377 4.352 0 40 DIAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)c(Cl)c1 7587653 YEOKKLRVJWUMMZ-CYBMUJFWSA-N 314.816 4.038 0 40 DIAB CC[C@H](NC(=S)Nc1ccccc1F)c1ccc(OC)cc1 8085567 ZTIJBRCLHLILIR-HNNXBMFYSA-N 318.417 4.272 0 40 DIAB CC[C@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732927 YZQXHVCBOSGZRW-LBPRGKRZSA-N 309.431 4.017 0 40 DIAB CC(C)c1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1 8754473 ZBLWTMNALHWLEP-UHFFFAOYSA-N 310.184 4.159 0 40 DIAB O=C(NCCCOC1CCCCC1)c1cc2ccccc2s1 11356073 KJKOWIITBCWAAH-UHFFFAOYSA-N 317.454 4.371 0 40 DIAB Brc1ccc(-c2ccnc3nc4ccccc4n23)cc1 13735065 KWKVKIZKPAAMLG-UHFFFAOYSA-N 324.181 4.312 0 40 DIAB CCCCNC(=O)c1oc2ccc(Br)cc2c1C 14182481 CEGWUAQHZJKIHX-UHFFFAOYSA-N 310.191 4.034 0 40 DIAB COc1cccc(CC(=O)Nc2ccccc2SC(F)F)c1 14603396 VATYBXHOLXLMCG-UHFFFAOYSA-N 323.364 4.191 0 40 DIAB Cc1cc(C)c2sc(NC(=O)c3cc4ccccc4o3)nc2n1 17014096 MIATZSYTBCVGSR-UHFFFAOYSA-N 323.377 4.307 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 17066473 RPTICGBKPLXWPB-UHFFFAOYSA-N 324.424 4.088 0 40 DIAB Cc1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1 18180592 CELCOQGICKJTKF-UHFFFAOYSA-N 307.397 4.162 0 40 DIAB COc1ccc(NC(=O)c2occc2-c2ccccc2)cc1OC 22689788 QSUKAJOUDZEOSP-UHFFFAOYSA-N 323.348 4.216 0 40 DIAB Cc1c(C)c(C)c(C(=O)OCc2nc(C(C)C)no2)c(C)c1C 22750513 ANTTUPPWBKHONH-UHFFFAOYSA-N 316.401 4.092 0 40 DIAB CC[C@@H]1CCc2sc(C(=O)Nc3ncccc3C)cc2C1 24840993 XHPBZSMHYLSNPU-GFCCVEGCSA-N 300.427 4.219 0 40 DIAB CCCCc1c(CO)c2ccccc2n1C(=O)OC(C)(C)C 26896805 SGBNZUONXRAKIC-UHFFFAOYSA-N 303.402 4.259 0 40 DIAB CC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 29106592 QZKUVUUHWRICJU-RYUDHWBXSA-N 302.443 4.342 0 40 DIAB Cc1nc(-c2ccc(Oc3nc4ccccc4nc3C)cc2)no1 32753061 GSEVMHWNSYDJON-UHFFFAOYSA-N 318.336 4.089 0 40 DIAB CC(C)CN1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 35446690 WDMBPUKSLSQCGC-NSHDSACASA-N 311.351 4.027 0 40 DIAB biogenic,in-vitro C[C@H](Cc1cccc(Cl)c1)NC(=O)CCc1ccsc1 36394810 OHDYWSXXKSRAJK-GFCCVEGCSA-N 307.846 4.082 0 40 DIAB Cc1cccc(NC(=O)NCCc2cccc(Cl)c2)c1C 40023921 GYBQZJULWDRZCO-UHFFFAOYSA-N 302.805 4.321 0 40 DIAB O=C1[C@H](Oc2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 40156578 ZAJJPROABUPSOI-WOJBJXKFSA-N 315.372 4.222 0 40 DIAB Clc1ccc(SCc2ncc(-c3cccs3)o2)nn1 67429073 PFKZLLVIVCNPLY-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB CCc1nnc(CNc2ccccc2N(C)c2ccccc2)o1 69349284 ZOKASGODCBQOCH-UHFFFAOYSA-N 308.385 4.012 0 40 DIAB C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1Cl)C1CC1 69699326 KEGYBUNHNVWBJN-LBPRGKRZSA-N 315.804 4.493 0 40 DIAB c1ccc(CN2CCCC[C@@H]2c2cccnc2NC2CC2)cc1 72213744 ABIDYRCQQLPPFL-LJQANCHMSA-N 307.441 4.383 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)c1c2nnc2nc(-c3ccc(F)cc3)cn12 100163251 APPVXLHMGIABLK-BFUOFWGJSA-N 322.387 4.105 0 40 DIAB C[C@@H]1CC(=O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C 118917319 UXYRZJKIQKRJCF-JUZSOIIQSA-N 304.474 4.205 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(C)c1 171303744 CPDNQFIHYPKDOS-UHFFFAOYSA-N 315.800 4.327 0 40 DIAB CC(=O)N(C)CCc1nc(-c2csc3ccccc23)cs1 194363027 HACLQSFBLUUINS-UHFFFAOYSA-N 316.451 4.046 0 40 DIAB O=C(CCCC1CCCC1)Nc1ccc(-c2ccccc2)nn1 1515616087 OVHOMGVLDJGPME-UHFFFAOYSA-N 309.413 4.443 0 40 DIAB O=C(CN1CCCCC1)N1c2ccccc2C=Cc2ccccc21 27740 DPJQQXPZHXLJJF-UHFFFAOYSA-N 318.420 4.321 0 40 DIAB CN1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 1319936 WEUCDJCFJHYFRL-LJQANCHMSA-N 314.860 4.067 0 40 DIAB biogenic,in-man CSc1ncc(Br)c(Nc2ccccc2C)n1 1678986 UBIYIUFNVURWKR-UHFFFAOYSA-N 310.220 4.013 0 40 DIAB Cc1cc(-c2ccccc2)nc2sc(-c3ccccc3)c(O)[n+]12 3077953 QZLPUWDDVOCVBP-UHFFFAOYSA-O 319.409 4.230 0 40 DIAB CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccccc2)CC1 3228515 ZAJKOEBCFWZEOB-UHFFFAOYSA-N 302.414 4.265 0 40 DIAB CCOC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1C 3325807 GOSKLHJBJIPSAH-UHFFFAOYSA-N 314.769 4.164 0 40 DIAB CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 4740408 DQISYFHYZQUTPT-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB CSc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034465 XMCVCOFLEAGXCR-ZHACJKMWSA-N 323.417 4.379 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@H]2CC[C@@H]1C2 5678123 XKSFFQZQYJKWPV-NGZCFLSTSA-N 306.818 4.324 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1nncc2ccc(Cl)cc12 5807592 KAKXLDWRFKGSOX-CYBMUJFWSA-N 320.868 4.206 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1C 5861441 GWKPRBDQPPDLBJ-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)o1 7990387 TYNRJYZRCJZIAU-GOSISDBHSA-N 305.377 4.302 0 40 DIAB Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)o1 8388641 IYSTVDSCZIURKA-MRXNPFEDSA-N 315.369 4.308 0 40 DIAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)s1 9377200 QGEZTSUBAOBDHK-FNORWQNLSA-N 316.407 4.425 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 9816829 GSNUQTAKVBPHRE-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 10918615 GLQIVINAPOEDHM-QGZVFWFLSA-N 316.832 4.287 0 40 DIAB CCc1nnc(NC(=O)c2cc3c(s2)CCCCCC3)s1 12776968 UYZUBJWATSKUNN-UHFFFAOYSA-N 321.471 4.073 0 40 DIAB CC[C@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12920576 GPBRNUHWDZRBPM-LDSOLPTJSA-N 319.448 4.446 0 40 DIAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708287 NNCRJSJREQILAJ-INIZCTEOSA-N 319.404 4.232 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2)cc(C)c1Cl 14396153 VKIYFPXNLKCNBE-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)cc(F)c2)c1 17360843 ZKMHLSRVRMVVEW-UHFFFAOYSA-N 305.324 4.220 0 40 DIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(F)cc1)C3 19234307 NAUFANHGKSPIJV-UHFFFAOYSA-N 322.339 4.197 0 40 DIAB Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccn12 19240669 UYHZAKAZKBCEGR-QGZVFWFLSA-N 323.415 4.161 0 40 DIAB Fc1ccc(SCc2noc(-c3ccco3)n2)cc1Cl 22956286 FHQRJEHTFKIOAS-UHFFFAOYSA-N 310.737 4.414 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)OCCCOc1ccccc1 25388982 QIEPOZIZWYGPOI-UHFFFAOYSA-N 323.392 4.113 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3ccccc3C)c2)n1 32817487 UJMQQVPUYSYESP-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccs1 33711554 SNGIXTMLQCRZDQ-UHFFFAOYSA-N 306.818 4.254 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(CO)[C@@H](CC[C@@H]12)C3 36375256 XEQHVCXFKPCQNM-INGAUJJTSA-N 318.457 4.013 0 40 DIAB endogenous,in-man COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1O 48301163 JEHLEMJDVKCXLH-CQSZACIVSA-N 311.425 4.130 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)C12CC3CC(CC(C3)C1)C2 48325365 ILPCJZXNZWJEQK-XUXNNNHQSA-N 315.482 4.410 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)Cc1cccc2cccnc12)C1CC1 56183380 CNTPELBWTNWNSF-AWEZNQCLSA-N 320.392 4.123 0 40 DIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 56340461 QYDOCCXTEVPGTC-UHFFFAOYSA-N 324.424 4.038 0 40 DIAB CCOc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1OCC 59240075 PDQIBKYDPZVYOA-UHFFFAOYSA-N 321.461 4.429 0 40 DIAB Cc1cnccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72219543 MDUGEPGEHJYHOE-SFHVURJKSA-N 310.397 4.254 0 40 DIAB Nc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 85386199 FHQNPKLHPXWXSN-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB c1cc(CSC2CCOCC2)cc(NCc2cscn2)c1 89780601 BXDLUTGSVKCTGK-UHFFFAOYSA-N 320.483 4.167 0 40 DIAB O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1ccccc1C(F)(F)F 91676181 GQXBAYXYFBWKJZ-MNOVXSKESA-N 314.303 4.169 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSC(C)(C)C 113970924 NKTQNXSSOZBLFG-OAHLLOKOSA-N 323.502 4.109 0 40 DIAB C[C@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccccc21 223237927 RHYJFNRVFNGCLV-NSHDSACASA-N 324.262 4.479 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(C)cc1 224618787 FTGOYNGLZPINNL-FUHWJXTLSA-N 305.462 4.485 0 40 DIAB CC(C)Oc1cccc(NC(=S)NC(C(C)C)C(C)C)c1 225328175 NGLKMDWXDOWZQP-UHFFFAOYSA-N 308.491 4.441 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1cccc2c1CCCC2 225650491 NARNOWYEXVREDT-UHFFFAOYSA-N 323.436 4.454 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3N)o2)C1 226304929 HAFYLBPVLOQFLZ-NSHDSACASA-N 318.804 4.054 0 40 DIAB Cc1ccccc1N(C(=O)c1cnc(C(C)(C)C)nc1)C(C)C 585083811 UZSKASMUTFSRAL-UHFFFAOYSA-N 311.429 4.138 0 40 DIAB c1cncc(CNc2ccc(-c3cn4ccccc4n3)cc2)c1 1560279867 ZSAJLQBEBHUTAU-UHFFFAOYSA-N 300.365 4.008 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C 365113 ORIAAPXVSOMAAK-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCC(=O)c1c(OCCC(C)C)ccc2c(C)cc(=O)oc12 485536 HWQOJYABGYGGPE-UHFFFAOYSA-N 302.370 4.119 0 40 DIAB biogenic c1ccc([C@@H](CN2CCCCC2)OCc2cccs2)cc1 1734065 QWEQTGGAXPDBJB-GOSISDBHSA-N 301.455 4.492 0 40 DIAB COc1ccc(-c2cc(C(F)(F)Cl)n3nc(C)cc3n2)cc1 2786475 FMSVBZROTJCKIM-UHFFFAOYSA-N 323.730 4.001 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1 3038611 CPDJBVPVWYTRMR-HNNXBMFYSA-N 318.420 4.294 0 40 DIAB c1cncc(-c2nc(N3CCc4ccccc43)c3ccccc3n2)c1 3337487 BLJJLXZSHJCPLR-UHFFFAOYSA-N 324.387 4.386 0 40 DIAB CCOc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl 3472803 UPJVAGPEIFMYDU-UHFFFAOYSA-N 311.715 4.269 0 40 DIAB C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]12C 3881974 UXYRZJKIQKRJCF-VAESULLBSA-N 304.474 4.205 0 40 DIAB biogenic C[C@@H]1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)CN1C 4011834 ADUJECNUNSENPU-LZJOCLMNSA-N 323.436 4.099 0 40 DIAB COc1ccc(C(=O)Nc2ccc3c(c2)N[C@H]2CCCC[C@@H]32)cc1 4053779 LBDJUXTWZRBICZ-WMZOPIPTSA-N 322.408 4.399 0 40 DIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)NCCc1ccccc1 4350068 UYIOVKSVPYIKBF-CGTJXYLNSA-N 303.446 4.416 0 40 DIAB Cc1nc2sc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 4862867 JRSOUGYCIATRRD-UHFFFAOYSA-N 319.817 4.053 0 40 DIAB CCCCC(=O)N(CCC)c1nnc(-c2ccccc2C)s1 4982377 VKAQFWMWKFZVKR-UHFFFAOYSA-N 317.458 4.447 0 40 DIAB COc1ccccc1CCC(=O)Nc1ccc(Cl)cc1C 5577873 JXLKLQAJKQALJT-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(Nc2ccccc2)c1 6402936 VWOJIZRHMWFDIP-HDICACEKSA-N 320.392 4.110 0 40 DIAB COc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 6694035 FPWUAYWXGLSBMJ-UHFFFAOYSA-N 322.412 4.150 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2)cc1OC 6892244 FZXBKTKSTVCQEH-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB Cc1ccn2c(NC(=O)C3CCC3)c(-c3ccc(F)cc3)nc2c1 6970805 SFXCRTTYVDWETJ-UHFFFAOYSA-N 323.371 4.187 0 40 DIAB COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1Cl 7309833 FZAZANVONQGPGD-UHFFFAOYSA-N 301.773 4.019 0 40 DIAB CCc1cccc(CC)c1NC(=O)CN1c2ccccc2C[C@H]1C 7587649 BAYUJCPDWXFZHN-OAHLLOKOSA-N 322.452 4.201 0 40 DIAB C/C=C/C=C/C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8105372 SDBGGTLKEOZNDR-ZZZQUOAASA-N 312.438 4.135 0 40 DIAB O=C(NCc1cccs1)c1ccc(C2SCCS2)cc1 12765729 WUYWFEZCOBJXAN-UHFFFAOYSA-N 321.492 4.157 0 40 DIAB CC(=O)c1ccc(OCc2ncc(-c3ccc(F)cc3)o2)cc1 14094745 OYICCCIMFHTVIH-UHFFFAOYSA-N 311.312 4.262 0 40 DIAB CC1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 14396621 WTZUPWMNXKKAMF-HNNXBMFYSA-N 303.446 4.010 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 18114399 JYFMICCMILDMDV-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB Cc1nc2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2s1 20427103 WJINXZWHWDNQOL-LBPRGKRZSA-N 315.225 4.127 0 40 DIAB Cc1cccnc1NC(=O)CCc1ccc(-c2ccccc2F)o1 27651919 QBRJHJTXLVEWNC-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB Cc1ccccc1Nc1c(-c2cccc(O)c2)nc2cnccn12 35622700 IDJAKDKQGLMTES-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 36623139 SNKIPHWEQZFXRI-HZPDHXFCSA-N 311.425 4.202 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 40095568 GWFZAECCVSSJSI-CABCVRRESA-N 302.418 4.129 0 40 DIAB O=C(CCc1ccco1)Nc1nc(-c2cccs2)cs1 40159992 ROLOIXFUEMIMID-UHFFFAOYSA-N 304.396 4.036 0 40 DIAB C[C@H]1CCCN(c2nc(NC3CCCC3)c3ccccc3n2)C1 41152231 AUTDPMOLZJNOKP-AWEZNQCLSA-N 310.445 4.221 0 40 DIAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccnc(Cl)c1 48332587 FMNOOAHBNBOCKD-GFCCVEGCSA-N 318.804 4.013 0 40 DIAB CCCC(C)(C)NC(=O)c1sc(-c2ccsc2)nc1C 50498171 PWOMQJJRNGOFAC-UHFFFAOYSA-N 308.472 4.489 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)CSC/C=C/c2ccccc2)[C@@H]1C 58051356 QNPBJQMDZKYAIY-NEUNHHGASA-N 317.498 4.374 0 40 DIAB COc1cc(Br)ccc1NC(=O)c1cccc(C)c1 59116459 KPXUWCRQTIOAOH-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CCSCc1ccc(C(=O)N(C)Cc2ccccc2F)cc1 59740129 KVAXETLJAQCIEV-UHFFFAOYSA-N 317.429 4.351 0 40 DIAB O=C(Nc1cnn(Cc2ccccc2)c1)c1sccc1C1CC1 67210106 FKDXEUIWESSRIC-UHFFFAOYSA-N 323.421 4.123 0 40 DIAB CC(=O)N(C)c1ccc(N[C@@H](C)c2c(F)cccc2F)cc1 71902621 QJPGYYGANLCYNJ-NSHDSACASA-N 304.340 4.121 0 40 DIAB CC(C)CN1CCC[C@H]1c1cccnc1N1CCCCCC1 72216706 NINBJCWQBVHBQM-SFHVURJKSA-N 301.478 4.255 0 40 DIAB C[C@@H](Cc1ccoc1)NC(=O)C(c1ccccc1)c1ccccc1 84827374 IEEBQOULZFLWJS-INIZCTEOSA-N 319.404 4.159 0 40 DIAB Clc1cccc2cc(-c3cccc(Br)c3)nn12 90550233 KVENROGIMCMFJJ-UHFFFAOYSA-N 307.578 4.417 0 40 DIAB C[C@@H]1CCC[C@@H]1N1CCO[C@H](c2ccc(Br)cc2)C1 95457060 VFVQTNJXXPSXBA-KCXAZCMYSA-N 324.262 4.011 0 40 DIAB O=C(O[C@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC=CCC1 95947922 DYPHUOIRNXXCII-KBXCAEBGSA-N 311.356 4.210 0 40 DIAB CCC(=O)c1c(Br)cc(C)cc1Br 199538888 LAGKQDMOQLCTDR-UHFFFAOYSA-N 305.997 4.113 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1Cl 223371515 ZUSLHYPWPPJZHQ-GFCCVEGCSA-N 303.789 4.230 0 40 DIAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 223931333 UOMNUEATNCBBMP-QGZVFWFLSA-N 309.409 4.336 0 40 DIAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(Cl)cc1 224701834 WVDNXNWUMZPSNV-UHFFFAOYSA-N 323.845 4.118 0 40 DIAB COC1(c2noc([C@H](C)OC3CCCCCC3)n2)CCCC1 329595530 IETOVEHWULOYJJ-ZDUSSCGKSA-N 308.422 4.286 0 40 DIAB CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C 575473221 OIFLGTCGHIBICZ-LLVKDONJSA-N 313.397 4.108 0 40 DIAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(F)c(F)c1 575610500 OQKWKOQPCWARLJ-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB COC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1 76997 MXDIMMDFTKZLJC-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB Fc1nc(F)c(F)c(Sc2nc3ccccc3s2)c1F 103131 FBRAMGXKCLFGKA-UHFFFAOYSA-N 316.304 4.399 0 40 DIAB biogenic CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](C(C)(C)C)C2 129639 VGSHFACDAVDNNW-LLVKDONJSA-N 323.458 4.034 0 40 DIAB Cc1cc(C)c(COc2ccc(Br)cc2)cc1C=O 135441 ZIFBPVMXBVPBKT-UHFFFAOYSA-N 319.198 4.457 0 40 DIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Cl)c1 997950 JDZGZZJXQBNIFK-NSHDSACASA-N 303.764 4.461 0 40 DIAB Cc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c1 2658075 OCAAZULHJUBHLQ-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 2764075 XPXIICYRWDNJET-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB Cc1occc1-c1nnc2sc(-c3cccc(Cl)c3)nn12 4938891 SGCWCBZYBIFIJL-UHFFFAOYSA-N 316.773 4.075 0 40 DIAB O=C1c2ccccc2CC[C@@]12N=NC[C@@H]2c1ccc(Cl)cc1 5066479 ZUAIXFPKIUQWRR-AEFFLSMTSA-N 310.784 4.457 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccs1 7988295 DHOAVRCEKKKODW-INIZCTEOSA-N 310.422 4.136 0 40 DIAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)oc12 8960586 VZRVLVCMIQDZNP-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1cc2cc(OC)ccc2[nH]1 9581774 NUSGHRPQUUHVEO-CYBMUJFWSA-N 302.418 4.123 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C)cc1 12904672 NRRKDIIZUSLLEX-IXDOJHRFSA-N 321.420 4.381 0 40 DIAB O=C(CCc1ccccc1)N[C@H]1CCSc2c(F)cccc21 12986166 MFPBJXMWANGXGO-INIZCTEOSA-N 315.413 4.112 0 40 DIAB Cc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832033 ZILPGZMUUZNNGT-UHFFFAOYSA-N 320.392 4.156 0 40 DIAB CSc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 16832653 WMJQZYBXVISLEJ-NSHDSACASA-N 321.829 4.468 0 40 DIAB COc1cc(/C=C\c2ccc3ccccc3n2)cc(OC)c1OC 16980597 UGISBUIBIFLVGO-NTMALXAHSA-N 321.376 4.431 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)NC1CCCCCCC1 20455844 YGAGTWZOPHAKBZ-OAHLLOKOSA-N 303.446 4.245 0 40 DIAB CCN(CC)C[C@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C 22858996 BFTKLTXWDUKHIE-RTWAWAEBSA-N 323.484 4.168 0 40 DIAB O=C(C1CCCCC1)N1CCC(c2nc3ccccc3o2)CC1 23058395 ASEOFLITZPHEAD-UHFFFAOYSA-N 312.413 4.114 0 40 DIAB CC(=O)c1cc(CCC(=O)Nc2ccc(F)cc2Cl)oc1C 24281300 ILABYUBPVGQRGH-UHFFFAOYSA-N 323.751 4.154 0 40 DIAB CC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1 24691341 SUHRPXTXLADMLV-UHFFFAOYSA-N 315.800 4.422 0 40 DIAB O=C(Cc1cccs1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25929269 WQDASSBJGINVCX-UHFFFAOYSA-N 324.405 4.462 0 40 DIAB CC(C)c1nc(CNC2(c3ccc(Cl)cc3)CCC2)no1 69700716 CWMMZQKBKYXDLK-UHFFFAOYSA-N 305.809 4.015 0 40 DIAB O=C(NCc1ccccn1)Nc1cccc(-c2ccsc2)c1 71855402 DVYMZLQBTDZWKT-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C 71872190 OEVGNJQSYVEFCE-KBXCAEBGSA-N 324.424 4.220 0 40 DIAB CC(C)CN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214381 FGCXXWVYFFWQKM-OAHLLOKOSA-N 319.449 4.222 0 40 DIAB CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 72331443 WWBIMEIPHAVFGG-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB FC(F)(F)c1cccc(Br)c1NN1CCCCC1 95081563 WIPQERNSRDPNSH-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB C[C@H](N[C@H](C)c1ccncc1)c1cc(Br)ccc1F 95419210 YOGYUVNSDATQLN-MNOVXSKESA-N 323.209 4.395 0 40 DIAB C[C@H](NC(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102181406 PKTSXEJRWIXWOK-UHXUCMFUSA-N 322.246 4.004 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(F)cc1 113954144 PWUJIRSNJLOJOP-AWEZNQCLSA-N 315.388 4.033 0 40 DIAB O=C(c1ccoc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880025 HYWJEOYHPFKWST-AWEZNQCLSA-N 303.789 4.343 0 40 DIAB CN(C(=O)C(F)(F)F)c1cccc(-c2nc3ccccc3o2)c1 226280944 WZJQIIGPUWVPHP-UHFFFAOYSA-N 320.270 4.020 0 40 DIAB CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c(OCC)nn2C 227166623 JSRGFBNDEQSEAU-CYBMUJFWSA-N 317.433 4.127 0 40 DIAB CC(C)[C@@H]1CCCC[C@H]1NC(=S)c1nc(Cl)c(Cl)[nH]1 255188954 MTYNSTGPOLPLHR-DTWKUNHWSA-N 320.289 4.196 0 40 DIAB CC[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccc(OC)cc1 585082965 VEBSXFKROGINEZ-QGZVFWFLSA-N 316.445 4.122 0 40 DIAB CO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1cccc(F)c1 1615140181 DIFCLFWYYSTUPT-OALUTQOASA-N 305.437 4.180 0 40 DIAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(Cl)ccc1OC 1775995596 AUVOGITVACBEEC-OKILXGFUSA-N 320.820 4.454 0 40 DIAB Cc1ccc2nc(-n3ncc(-c4ccccc4)c3N)sc2c1 387603 SXFPMBWSICAJFV-UHFFFAOYSA-N 306.394 4.040 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(Cl)c(Cl)c1 2514641 ATBLVCWFYYERJX-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1OC(F)F 3327710 TVSVOJRTNFPQHO-UHFFFAOYSA-N 315.678 4.333 0 40 DIAB CC1=C(C)[C@@H](Nc2ccc(C)cc2F)N(Cc2ccccc2)C1=O 4672728 PDLFNNUNVADDST-IBGZPJMESA-N 324.399 4.251 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 7559293 OWVJJGURXHUIBW-NXEZZACHSA-N 300.830 4.154 0 40 DIAB CCNc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8666308 PVHIGKNDYZNZIH-SENONWEKSA-N 315.457 4.041 0 40 DIAB Cc1ccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 8708452 QQBQPEJSQFCEPI-GOSISDBHSA-N 321.380 4.083 0 40 DIAB O=C(Nc1cc2c(cc1Cl)OCO2)c1cc2ccccc2o1 9608045 KJVPQSHLETUDPN-UHFFFAOYSA-N 315.712 4.067 0 40 DIAB CSc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 10429010 RJWQJBJKGBQNDS-UHFFFAOYSA-N 312.438 4.261 0 40 DIAB CCc1ccc(OCCCCn2c(C=O)nc3ccccc32)cc1 11735028 GISWVRXVUNUPBN-UHFFFAOYSA-N 322.408 4.270 0 40 DIAB CSc1nc2ccc(NC(=O)[C@H]3CC=CCC3)cc2s1 14500996 DYSRNYKTZBZJRZ-JTQLQIEISA-N 304.440 4.313 0 40 DIAB Cc1cc2nc(-c3ccc(N)cc3)oc2c(Br)c1C 20156871 BRFLUHRHSZGPJP-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(C)cc1 26204187 WDNGONHHLSCGDG-OAHLLOKOSA-N 319.351 4.478 0 40 DIAB O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1ccc(Cl)cc1 30367508 NUTHXYRSJGIQAX-ZNFPLGDCSA-N 301.773 4.310 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCCc2ccccc21 30752521 VRXDHXINVDHNLZ-OALUTQOASA-N 323.436 4.346 0 40 DIAB Cc1cccc2c1N(C(=O)c1cccc3ncccc13)CCC2 32882488 XIXSVCKUCFCOIX-UHFFFAOYSA-N 302.377 4.136 0 40 DIAB N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccccc1Cl 33410652 RMRLPEYVLHORAL-ZLRVCTSNSA-N 308.768 4.442 0 40 DIAB O=C(Cc1ccccc1Cl)N(Cc1ccsc1)C1CC1 44446552 VXFGIWHZXCFHPX-UHFFFAOYSA-N 305.830 4.135 0 40 DIAB CC1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 47016296 ADOAMCPWRGNQGQ-UHFFFAOYSA-N 324.468 4.082 0 40 DIAB C[C@H](c1ccco1)N(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1 56183916 UPVCLGIEAJYONE-LLVKDONJSA-N 312.344 4.266 0 40 DIAB CCc1ccsc1C(=O)Nc1ccc(NC(C)=O)cc1Cl 67945109 DAAYNRCJXVDZHS-UHFFFAOYSA-N 322.817 4.175 0 40 DIAB CCOCc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)C1 71844122 HGSFGUSMQPUVIV-QGZVFWFLSA-N 324.424 4.245 0 40 DIAB c1csc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)c1 84445043 YLIGEGITYRDJOC-UHFFFAOYSA-N 317.439 4.024 0 40 DIAB COc1cccc(Oc2ncccc2CN[C@@H](C)c2ccco2)c1 95423108 REFVTPCPHGMARM-AWEZNQCLSA-N 324.380 4.326 0 40 DIAB Cc1ccc(CN2CCCC3(CCN(CC4CC4)CC3)C2)cc1 96047382 ARNWSIBRTNVCRI-UHFFFAOYSA-N 312.501 4.083 0 40 DIAB Cc1c(-c2nnc3sc(C(C)(C)C)nn23)oc2ccccc12 96194437 QZBYFYMRRUGIJH-UHFFFAOYSA-N 312.398 4.205 0 40 DIAB O=C(O)c1scc(Cl)c1OCc1ccc(Cl)cc1 96510966 VWUKBZQKBTVHPM-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB CS[C@H]1CCC[C@@H](NCc2ccc(-c3cccnc3)o2)C1 97002171 ADFHLPFLLVWNQB-ZBFHGGJFSA-N 302.443 4.105 0 40 DIAB O=C(Nc1cccs1)N1CCS[C@H](c2ccccc2)CC1 211143894 RAHBGRWQMYTXMF-AWEZNQCLSA-N 318.467 4.460 0 40 DIAB CCCNC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421697 QRTYPYXNHPZOHH-UHFFFAOYSA-N 319.408 4.305 0 40 DIAB CCOc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)cc1 225429102 DFKYONDRLCLFBD-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@](C)(CC)OC)cc1C 225604433 VFTWZVZEXSITJB-KDOFPFPSSA-N 307.434 4.234 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1Cl 225614365 BNANPJUBWKHRPO-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB CC(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)cc2)n1C 409204009 BFROPQBVCVFUJL-VXPUYCOJSA-N 322.433 4.176 0 40 DIAB COc1ccc(COc2c(F)cccc2Br)cc1 575356955 ODHHRBVQEJBSSB-UHFFFAOYSA-N 311.150 4.176 0 40 DIAB O=C(Oc1ccc(Cl)c2cccnc12)c1cccnc1Cl 153271 FWUWFPXKKUUJII-UHFFFAOYSA-N 319.147 4.156 0 40 DIAB COc1ccccc1Nc1cc(C)nc2c(C)c(C)cc(N)c12 348936 MHLPRXWFTYXQEE-UHFFFAOYSA-N 307.397 4.494 0 40 DIAB Cc1cc(C)cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1 385556 KUULSAIKZZPEQR-UHFFFAOYSA-N 324.384 4.276 0 40 DIAB CCCC(=O)Nc1nn(CCC)c2nc3ccc(C)cc3cc12 530257 BXMRCTTVMAVRAD-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB O=C(O)CC1(CC(=O)Nc2cccc3ccccc23)CCCC1 532398 JTBSSKVKMKUVOL-UHFFFAOYSA-N 311.381 4.204 0 40 DIAB Cc1ccccc1OC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 1637033 HDJIFMJPTSYWII-WBVHZDCISA-N 304.773 4.141 0 40 DIAB OC(c1ccccc1)(c1ccccc1)C(F)(F)C(F)(F)F 1675483 QOBLARAJKUCHMF-UHFFFAOYSA-N 302.242 4.120 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NCc1cccc(Cl)c1 3360273 LETBOOPWOZRPAK-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1 3554242 WWHAQTXUFGXWME-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB O=C(Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 4434619 RYIHYWBHJGITMU-UHFFFAOYSA-N 306.409 4.390 0 40 DIAB Cc1cc2n(n1)[C@@H](c1ccc3cccnc3c1)Nc1ccccc1-2 4707169 WJYSJNZUQOKEGO-FQEVSTJZSA-N 312.376 4.379 0 40 DIAB CC(C)(C)c1ccc(C(=O)CSC(=S)N2CCCC2)cc1 4740852 HMQVBJHVQOAYCY-UHFFFAOYSA-N 321.511 4.281 0 40 DIAB CSc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 5299088 WLCNHSLDGRCGPT-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB Cc1cc(C(=O)OCCOc2ccccc2C)c2ccccc2n1 5355329 OHIIKUZZIDLLEJ-UHFFFAOYSA-N 321.376 4.087 0 40 DIAB CCC(CC)NC(=O)c1sc2cccc(F)c2c1COC 8133402 AARLIZURDQMKKU-UHFFFAOYSA-N 309.406 4.105 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccccc2F)c1 8371123 HHDXTLAOLTVEFJ-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 10111737 WGNWESIDZDTLBQ-AWEZNQCLSA-N 311.425 4.484 0 40 DIAB Cc1ccc2cc(CNc3cccc(Cl)c3)c(=O)[nH]c2c1C 12492984 WPFPJRNVUAZNJO-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB CC(C)CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 13934137 PIWUHFNQRRXYFK-UHFFFAOYSA-N 310.772 4.301 0 40 DIAB C[C@H]1CCCN(C2CCN(Cc3cc4ccccc4o3)CC2)C1 19496485 SRIWSXVOPGZLMR-INIZCTEOSA-N 312.457 4.129 0 40 DIAB COc1cccc2cc(C(=O)N(C)Cc3ccc(C)cc3)oc12 20045902 LURDFXBGDUQJGS-UHFFFAOYSA-N 309.365 4.022 0 40 DIAB Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 20345138 FCSNLWNHUZFMLT-FPYGCLRLSA-N 307.180 4.228 0 40 DIAB S=C(NC1CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 20625947 NMBGVROOAJYVPT-MRXNPFEDSA-N 316.857 4.056 0 40 DIAB O=C(/C=C/c1cccnc1)N1CCC[C@H]1c1ccc(Cl)cc1 30364135 RBDLNHITAUXREH-HQWZXOHUSA-N 312.800 4.112 0 40 DIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c(F)cccc1Cl 32754741 GPDLSGWBYNRSJX-DTWKUNHWSA-N 323.717 4.330 0 40 DIAB COCCC[C@@]1(c2ccccc2)Oc2ccccc2N=C1OC 35823941 AGRIYSKXHHAPIS-IBGZPJMESA-N 311.381 4.078 0 40 DIAB CCn1cc([C@@H](C)N[C@H](C)c2ccccc2Br)cn1 44496381 KYMVBAXMWPUNGB-VXGBXAGGSA-N 322.250 4.077 0 40 DIAB Cc1cc(C)cc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)c1 49467926 UJOKBVNGRPEJIU-UHFFFAOYSA-N 308.360 4.225 0 40 DIAB Oc1ccc(CCC2CCN(c3nc4ccccc4o3)CC2)cc1 58406320 PFXKMBQRYPFSRE-UHFFFAOYSA-N 322.408 4.383 0 40 DIAB O=C(Nc1cccc(Cl)c1SC(F)F)C1CCOCC1 58433723 SBABXIPHMOROND-UHFFFAOYSA-N 321.776 4.020 0 40 DIAB CN(Cc1cc(F)cc2c1OCOC2)c1cccc2ccccc12 65590471 OFTAXYJQHXILCX-UHFFFAOYSA-N 323.367 4.482 0 40 DIAB Cc1c(F)cccc1NC(=S)Nc1ccc2c(c1)CCC2 71325973 HECDTHSOBVKUIF-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB COc1ccc(-c2cc3cc(Br)cnc3o2)cc1 72284040 WWILJVHMJKXSCO-UHFFFAOYSA-N 304.143 4.266 0 40 DIAB C[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 89927276 PBDLBYMFASZGIH-IUCAKERBSA-N 320.742 4.062 0 40 DIAB CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccs2)c1 95420466 XQMZYHSYNSWXSK-ZIAGYGMSSA-N 316.470 4.127 0 40 DIAB Cc1nnc([C@@H](C)Nc2ccc(-c3cccc(F)c3)c(F)c2)o1 97085793 UOZXDGKXZRHLMC-SNVBAGLBSA-N 315.323 4.496 0 40 DIAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1cccs1 100887829 KRZVVHTVRHOLOK-BJDJZHNGSA-N 305.472 4.293 0 40 DIAB Nc1cc(F)c(N2CCC(c3ccc(F)cc3)CC2)c(F)c1 113368319 IQFWNVBJEZXPAF-UHFFFAOYSA-N 306.331 4.070 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 113954244 AVMKDRRKMQTJGV-KXBFYZLASA-N 323.436 4.210 0 40 DIAB CCCOc1ccc(CCC(=O)c2ccc(OC)c(F)c2)cc1 199732116 WCZDQEBDIDFOBM-UHFFFAOYSA-N 316.372 4.439 0 40 DIAB CCOc1ccc(-c2noc(-c3ccc(Cl)c(N)c3)n2)cc1 225172814 LQEBMBMSGPHGDP-UHFFFAOYSA-N 315.760 4.038 0 40 DIAB CCOc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632204 YMAABYRUSVFMQA-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB CC1=Nc2ccccc2[C@@H](OCC(=O)Nc2cccc(C)c2)C1 227148593 OBZUFAASVABYBP-SFHVURJKSA-N 308.381 4.188 0 40 DIAB Cc1ccc(NCc2ccc(-c3ccccc3C(=O)O)cc2)nc1 257263142 LOPOTQOVLZDAPU-UHFFFAOYSA-N 318.376 4.367 0 40 DIAB Cc1cccc(CSc2nc(O)c3c(C)csc3n2)c1 408597833 BUBFENZEZZKKFI-UHFFFAOYSA-N 302.424 4.306 0 40 DIAB N[C@H](c1ccccc1)[C@H]1C[C@@H]1c1cccc(Br)c1 1536221940 OCUKHHOBGYMHTG-OWCLPIDISA-N 302.215 4.253 0 40 DIAB O=C(Nc1cccc(Cl)c1)Oc1ccc2oc(=O)sc2c1 81114 NIRVQTRKRRWYNN-UHFFFAOYSA-N 321.741 4.119 0 40 DIAB COc1cccc(N2COc3cc(C)c(Cl)c(C)c3C2)c1 104633 RKCVVZNQUKQCEJ-UHFFFAOYSA-N 303.789 4.322 0 40 DIAB Cc1sc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2c1C 114403 VVAJKZGLRIETIQ-UHFFFAOYSA-N 324.361 4.207 0 40 DIAB CC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 115390 XIGXVRAZQLHDEF-UHFFFAOYSA-N 307.777 4.040 0 40 DIAB Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(C)c1 385081 PWBSYGBECQJDDI-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C 494991 LGLVOCJARXFZAT-QGZVFWFLSA-N 324.852 4.115 0 40 DIAB O=C(CCc1cccc(F)c1)c1cccc(Br)c1 2517330 JVYYAIMYAAVKFG-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H]1CCCCN1 3823283 QKZSZFVFMKGBCO-KRWDZBQOSA-N 317.325 4.437 0 40 DIAB CCc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(OC)cc3)c2c1 4670353 SFRPPWMHAZLXGZ-UHFFFAOYSA-N 322.408 4.229 0 40 DIAB c1ccc(CCc2nnc(Cn3ccc4ccccc43)s2)cc1 4702598 YBWWOXNUXJANDJ-UHFFFAOYSA-N 319.433 4.326 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@H]1Cc1ccco1 4940674 KXEYICQCKZUATP-LNJMBMCMSA-N 309.409 4.211 0 40 DIAB Cc1nc(C(=O)NC2CCCCC2)cc2c1[nH]c1ccccc12 5730236 CZZSMCKHTKKXLA-UHFFFAOYSA-N 307.397 4.087 0 40 DIAB biogenic CC(C)(C)c1ccc(C(=O)CCC(=O)NCc2ccccc2)cc1 5959414 LZOAVCQZRYPDEV-UHFFFAOYSA-N 323.436 4.263 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 5968226 JFFVUPLRAUGKIO-UHFFFAOYSA-N 308.425 4.233 0 40 DIAB Cn1nc(C(C)(C)C)cc1NC(=O)Cc1cccc2ccccc12 8428144 FEKKHXBKWRYSBR-UHFFFAOYSA-N 321.424 4.052 0 40 DIAB Cc1nc2ccc(Cl)cc2c(O)c1CN1CCCC[C@H]1C 8700896 YQPXDZMMGCBFOW-LLVKDONJSA-N 304.821 4.277 0 40 DIAB Cc1cccc(C)c1NC(=O)CN(Cc1ccccc1)C(C)C 9726809 OOAATTVHJAJZPU-UHFFFAOYSA-N 310.441 4.153 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111718 DZRBZNXEPMEAPI-CQSZACIVSA-N 311.425 4.484 0 40 DIAB CC(C)CN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 12244379 MOXQXAHYQGQFHV-ZDUSSCGKSA-N 319.399 4.190 0 40 DIAB CC(=O)Nc1ccc(NCc2ccc(Br)cc2)cc1 19885761 BGMOMMDRSYTTAZ-UHFFFAOYSA-N 319.202 4.020 0 40 DIAB in-vitro Cc1cccc(C(=O)Nc2ccc(F)cc2Br)c1C 20430206 HTSUTXLIJWQORR-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB Clc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 23125432 SWVZUITZXKXWTK-UHFFFAOYSA-N 322.755 4.447 0 40 DIAB Nc1ccc(-c2nc3ccccc3s2)c(Br)c1 26996162 YOYKGQRUCLBBGD-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB O=C(NC(C1CC1)C1CC1)c1ccc(C2SCCS2)cc1 29383128 FNSXWQNJHTXMNI-UHFFFAOYSA-N 319.495 4.084 0 40 DIAB O=C(c1cccc(Br)c1)c1cnc2ccccc2c1 37761565 LSSMKMASGUKFHH-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)o1 40034341 GISGNQSFTKVAEU-MAUKXSAKSA-N 323.436 4.184 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccccc1 44850483 UZFWQDLCIKSUBW-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1cc(C)cc(C)c1 53521468 VDLNSPPMPPMWNQ-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)oc2c1 57316748 MXRSWEHZABYWET-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CC(C)n1cc(CCC(=O)Nc2nccs2)c2ccccc21 72406437 XRVRLOLWFJMBGO-UHFFFAOYSA-N 313.426 4.250 0 40 DIAB COCCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1 100842521 DFWDCHUBKNBNAF-VXPUYCOJSA-N 324.449 4.404 0 40 DIAB CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 136690363 QJFOPNOLIOPAPA-ACWOFJMJSA-N 301.430 4.030 0 40 DIAB O=C(NCCSCc1c(F)cccc1Cl)C1CCCC1 223422073 NVBIAYLXNKZCJF-UHFFFAOYSA-N 315.841 4.019 0 40 DIAB CCCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C 225590915 AAGNFOUZLRBPHI-UHFFFAOYSA-N 324.635 4.483 0 40 DIAB Cc1nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2n1C 225893800 YLNHSUOGOCYZBP-UHFFFAOYSA-N 307.397 4.257 0 40 DIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1C 225907231 XZKKMNLXQVWKBA-GOSISDBHSA-N 322.449 4.103 0 40 DIAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)F 575362590 BPQUAFUDJPOEKV-UHFFFAOYSA-N 321.014 4.213 0 40 DIAB Cc1cc(Br)ccc1N[C@H]1OC(=O)c2ccccc21 91760 OUUWUFVTWRUAMK-AWEZNQCLSA-N 318.170 4.039 0 40 DIAB FC(F)(F)c1nn2cc(-c3ccc(Cl)cc3)nc2s1 145190 MTKGTJVXLZFLMP-UHFFFAOYSA-N 303.696 4.130 0 40 DIAB CSc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1 567930 NUSMFWOUCXFLPE-UHFFFAOYSA-N 314.435 4.199 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccccc3)on2)C1 815045 HNBCEGYOHPWBOB-YWZLYKJASA-N 324.424 4.382 0 40 DIAB Cc1cccc(S[C@H]2CCS(=O)(=O)c3sccc32)c1 1398510 FRZYCRFWIPAMPC-ZDUSSCGKSA-N 310.465 4.067 0 40 DIAB Clc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 1576827 YZVOFVFKOCNLTQ-UHFFFAOYSA-N 321.771 4.213 0 40 DIAB CC(C)c1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 2694336 MXLQQVUOBRCPCA-MRXNPFEDSA-N 321.505 4.354 0 40 DIAB FC(F)Oc1ccc(NC(=S)NCC2CCCCC2)cc1 3257442 IALFUZCSNCLCAE-UHFFFAOYSA-N 314.401 4.155 0 40 DIAB CC(=O)OCCCC[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4027089 RTYPTTJEBODVCN-CADBVGFASA-N 306.446 4.404 0 40 DIAB CCOc1ccc(Br)cc1CNc1ccccc1 4364688 SNDFPSOYSFDSAN-UHFFFAOYSA-N 306.203 4.460 0 40 DIAB c1coc(-c2nnc(CSc3cccc4cccnc34)o2)c1 5771125 QPZOLHBGGBOYRF-UHFFFAOYSA-N 309.350 4.170 0 40 DIAB O=C(O)c1cccc2nc(-c3ccc4ccccc4c3)cnc12 6744182 SJVHOBKEXCEUDQ-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccc(C)c(Cl)c1 6963866 FKVPRRPHNKZPTR-VXLYETTFSA-N 317.772 4.496 0 40 DIAB O=C(Oc1ccccc1)c1cccnc1Sc1ccccc1 7000210 BQFYBEZCIUJDJO-UHFFFAOYSA-N 307.374 4.452 0 40 DIAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(Cl)c1 7601532 OKIWRXCCFBBVDJ-UHFFFAOYSA-N 316.817 4.005 0 40 DIAB O=C(Nc1onc2c1CCC2)c1cccc(Oc2ccccc2)c1 8976428 KQDLEINXSBSCGO-UHFFFAOYSA-N 320.348 4.208 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 10428980 VPXWCADFXJRYSE-MRXNPFEDSA-N 324.424 4.001 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3ncccc3C)ccc2c1 12523487 YLDFVJBHLFLYAN-AWEZNQCLSA-N 320.392 4.294 0 40 DIAB CCCCCNC(=O)N[C@@H](c1ccccc1)c1cccs1 12909067 YGRIKKKHJBHJCJ-INIZCTEOSA-N 302.443 4.327 0 40 DIAB CCc1ncc([C@](C)(O)c2ccc(C)cc2)n1Cc1ccccc1 13281773 GHYMSNSQIZIJJD-OAQYLSRUSA-N 320.436 4.058 0 40 DIAB CC(C)c1ccc(CCC(=O)NCCCc2ccccc2)cc1 13671045 TZCWVEOPZBMKGI-UHFFFAOYSA-N 309.453 4.492 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 13708323 DHDSZUJINCSCAJ-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)c2n1 15835241 FBZPVCOFTAQRLK-CYBMUJFWSA-N 324.355 4.088 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 20133937 CYZVISVHNBUKIS-JXMROGBWSA-N 302.757 4.105 0 40 DIAB Cc1n[nH]c(NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 20427054 VRTJIEFIDQVECI-UHFFFAOYSA-N 323.183 4.292 0 40 DIAB O=C(Nc1ccccn1)c1ccc(C2SCCCS2)cc1 21893918 YNUCOELSFWEFJI-UHFFFAOYSA-N 316.451 4.203 0 40 DIAB CCCCNC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 27924978 HPOFVETUGYQBHQ-UHFFFAOYSA-N 320.824 4.064 0 40 DIAB O=C(CCc1cccs1)Nc1cccc(OC(F)(F)F)c1 30884442 JCRQZHYFGYRKRZ-UHFFFAOYSA-N 315.316 4.218 0 40 DIAB COc1cc(CNCCc2ccccc2)ccc1OCC(C)C 32231597 HFWZXPITGUBIBE-UHFFFAOYSA-N 313.441 4.062 0 40 DIAB Cc1ccccc1NC(=O)CSc1cccc2cccnc12 47080707 VOMQKUOQYRLURW-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)N[C@H](C)c1ccncc1 56383510 IIAOLBAHRDUGKY-OLZOCXBDSA-N 317.820 4.199 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2ccc(CC3CCNCC3)cc2)c1 72328173 JLTPXZZGBBORSL-UHFFFAOYSA-N 322.452 4.098 0 40 DIAB COC(=O)c1ccc2nc(-c3ccccc3Cl)sc2c1 73740360 YBFRPDYYVRGZDM-UHFFFAOYSA-N 303.770 4.403 0 40 DIAB CCNC(=S)N[C@@H](c1ccccc1)c1cc2ccccc2o1 84791106 QYEVUBMKRXJBIV-KRWDZBQOSA-N 310.422 4.006 0 40 DIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 95116829 FGXRMHKOYLCDOF-OAHLLOKOSA-N 322.389 4.333 0 40 DIAB FC(F)(F)COc1ccccc1OCCCc1ccncc1 95941896 GSBVNYNHPXQXHD-UHFFFAOYSA-N 311.303 4.034 0 40 DIAB CC(NCc1cccc(O)c1)(c1ccccc1)c1ccccc1 95947713 RYMXXLIDBQAQMH-UHFFFAOYSA-N 303.405 4.446 0 40 DIAB CCOC(=O)[C@H]1CCCc2sc(-c3ccc(C)cc3)nc21 96003825 BGNKIBLLZDNNKW-ZDUSSCGKSA-N 301.411 4.102 0 40 DIAB C[C@@H]1[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CCC[C@H]1C 105643220 BUKISCCFJPQVGX-XUJVJEKNSA-N 313.363 4.189 0 40 DIAB C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107326991 UGLVUBDQRNMGLP-DRMAHVMPSA-N 308.425 4.032 0 40 DIAB O=C(O)CCCCCCCCCC(=O)OCc1ccccc1 196252417 KXMALJSCMGHAIA-UHFFFAOYSA-N 306.402 4.325 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1CCCCC1 224130578 AIRMEMMMEBQHLM-OAHLLOKOSA-N 317.473 4.448 0 40 DIAB CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226254379 QNQGXPQJJMJQCC-UHFFFAOYSA-N 323.440 4.074 0 40 DIAB OCc1cc(-c2cccs2)nc2cccc(C(F)(F)F)c12 685937379 OCZSLYHVNFCCPU-UHFFFAOYSA-N 309.312 4.474 0 40 DIAB CC(C)c1c(C2CC2)[nH]c2cccc(Br)c2c1=O 685938783 XURHVHIGHGFJRT-UHFFFAOYSA-N 306.203 4.291 0 40 DIAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccccc1 89239 OMENOLZPZUXUMH-UHFFFAOYSA-N 312.372 4.112 0 40 DIAB CC(C)CC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 103542 HERNGTNCPVDZMF-UHFFFAOYSA-N 317.458 4.487 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 505900 NLQBKPFQGDDQML-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O[C@@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 1615870 UPUJHZQDODIIMR-FIKGOQFSSA-N 309.453 4.385 0 40 DIAB CCCCCc1c(C)nc(SCc2ccccc2)[nH]c1=O 2191063 AAXGLSOIYUGEIV-UHFFFAOYSA-N 302.443 4.103 0 40 DIAB O=C(COc1ccccc1-c1ccccc1)NCc1cccs1 3353143 ANHZQGIJKXTJBL-UHFFFAOYSA-N 323.417 4.110 0 40 DIAB CN(Cc1cccs1)C(=S)Nc1ccc(F)c(Cl)c1 3407595 FIGGDJUTSSVDKB-UHFFFAOYSA-N 314.838 4.369 0 40 DIAB CC(C)(C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 3486913 KRCQTAWSQDCMCA-UHFFFAOYSA-N 310.422 4.492 0 40 DIAB CN(C)CCCOc1ccccc1Oc1ccc(Cl)cc1 3610756 DDUFYHICIWUIEL-UHFFFAOYSA-N 305.805 4.463 0 40 DIAB O=C(O)c1sccc1NC(=O)c1c(Cl)cccc1Cl 4105319 SKARHTBXRZNOFQ-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB Cc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1 4120179 VUHJLWUYGPFNNA-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CCCCOc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 5309476 DBNDKEOLJUPIAU-UHFFFAOYSA-N 310.349 4.345 0 40 DIAB CCCCN[C@@H](C(=O)c1ccc(N(C)C)cc1)c1ccccc1 5838031 YCAMJWACOMDXTF-LJQANCHMSA-N 310.441 4.066 0 40 DIAB C[C@@H]1CCCCN1CC(=O)Nc1ccccc1Cc1ccccc1 6542936 KENNCAPANAJUCK-QGZVFWFLSA-N 322.452 4.090 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 6966905 HCJFHKFVOATPFF-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)NCCC1=CCCCC1 8495801 SVPSPOIVAIGTER-UHFFFAOYSA-N 315.457 4.370 0 40 DIAB Cc1cc(C)c(-c2nc(NC(=O)C3CC3)sc2C)cc1C 9738824 FSLVJOMOVPMBSO-UHFFFAOYSA-N 300.427 4.392 0 40 DIAB CC(C)CSc1nc2ccccc2c2nc(-c3ccco3)nn12 9937979 IMZBVKUJEYFPAO-UHFFFAOYSA-N 324.409 4.286 0 40 DIAB Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)c(C)c1 12392688 YNIWCKDTFYGUDG-UHFFFAOYSA-N 315.388 4.032 0 40 DIAB O[C@H](Cn1c(-c2ccccc2)nc2ccccc21)c1ccccc1 12507446 PPHNRHPNBPXPPZ-HXUWFJFHSA-N 314.388 4.437 0 40 DIAB O=C(NCCc1cccs1)c1cc(F)c(Cl)cc1Cl 12739882 NCNNRDJGNNHGGC-UHFFFAOYSA-N 318.200 4.167 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(C)c2)cc1Cl 13935117 HGFISULOBUYECG-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB CC(C)(C)c1cc(CCC(=O)NC2CC2)cc(C(C)(C)C)c1O 17123032 XJNXMBYQKKJLKL-UHFFFAOYSA-N 317.473 4.198 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 20492184 FYCTYKJORFVAON-QGZVFWFLSA-N 315.457 4.386 0 40 DIAB Cc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1 22071973 LJGZWYJQQBSRFF-UHFFFAOYSA-N 317.392 4.064 0 40 DIAB C[C@@H](C1CC1)N(C)C(=O)Cc1coc2ccc3ccccc3c12 25472318 BLDQHWFDMJXDDA-ZDUSSCGKSA-N 307.393 4.385 0 40 DIAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1c(F)cccc1Cl 28243275 SBHWDUGKTMTZPK-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(F)c1 30865263 MKKGJMPTAFMWKV-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB Oc1c(Br)ccc2cccc(OC(F)(F)F)c12 38286662 XBEQBAHGMRPYOR-UHFFFAOYSA-N 307.065 4.207 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)c(Cl)c1 44903299 YUQSVJJJOINQHT-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB Cc1ccc(CN(C(=O)N[C@@H](C)c2ccncc2)C(C)C)s1 69654619 MQXWHUJUHLPQST-AWEZNQCLSA-N 317.458 4.133 0 40 DIAB CC[C@H](CNCc1c(C(C)C)nn(C)c1Cl)c1ccccc1 71809764 ZJFGNYCUGGYHFM-CQSZACIVSA-N 319.880 4.480 0 40 DIAB CCCN1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216661 BVIVSVFVKBXAJL-SFHVURJKSA-N 301.478 4.399 0 40 DIAB Cc1noc(-c2cnc(NC3CCCC3)nc2-c2ccco2)c1C 72341074 UFTLAGPVNBLKBN-UHFFFAOYSA-N 324.384 4.363 0 40 DIAB Cc1cc(CN2CCC[C@@H]2Cc2cccc3ccccc23)on1 84124234 ZUOBLDPPXPELLS-GOSISDBHSA-N 306.409 4.343 0 40 DIAB CC(C)Nc1c(Cl)cccc1NCc1nccn1C(F)F 95410502 RDZBQSPABCITOD-UHFFFAOYSA-N 314.767 4.364 0 40 DIAB Cc1ncc(CN(C)Cc2cccc(Cl)c2Cl)s1 95954510 AIGMMQWMHIGWMQ-UHFFFAOYSA-N 301.242 4.390 0 40 DIAB CN(C(=O)c1cccc(NCc2cscn2)c1)c1ccccc1 97235399 SKMIGPORLULLOY-UHFFFAOYSA-N 323.421 4.032 0 40 DIAB CCO[C@H](C)c1nc(CN(C)[C@H](C)c2cccs2)cs1 107138027 PRUSFIRBZBVLOR-VXGBXAGGSA-N 310.488 4.495 0 40 DIAB Cc1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222900095 YBEQWNMWXKMOPC-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB O=C(CCSCc1ccccc1)NCCSC1CCCC1 224871679 PWOKJNWZDMJIFX-UHFFFAOYSA-N 323.527 4.102 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225476971 ZJARWGAZHBEJPY-UHFFFAOYSA-N 324.302 4.208 0 40 DIAB CCCOc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591271 LHVNAHYHXMHUET-UHFFFAOYSA-N 324.635 4.401 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225651800 ORWZTUPZKVCBEZ-KDOFPFPSSA-N 307.434 4.316 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)nc1 225886620 VHVNXIURUWUAEX-GOSISDBHSA-N 322.449 4.184 0 40 DIAB Cc1nc2ccc(OC(=O)c3cccc(Cl)c3)cc2nc1C 408977315 VHVWTNOFBXQWNI-UHFFFAOYSA-N 312.756 4.119 0 40 DIAB COc1cccc2sc(N3CCC(C(F)(F)F)CC3)nc12 1888854041 AVFICDGIAHRRKY-UHFFFAOYSA-N 316.348 4.084 0 40 DIAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1ccccc1O2 422926 WDCDCOYDLLWGHI-RHSMWYFYSA-N 314.772 4.110 0 40 DIAB CC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1 999660 MQWKEJCDGOMPIQ-UHFFFAOYSA-N 302.443 4.402 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C[C@@H]2CCCN3CCCC[C@H]23)C1 1280572 BMRXTFOKVYWSJF-GNBUJSLZSA-N 304.522 4.152 0 40 DIAB CC(C)CNC(=O)CSc1cccc2cccc(Cl)c12 2726428 TZZCOKKVWAMEFC-UHFFFAOYSA-N 307.846 4.358 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2s1 3362663 JTXBCJYPUPTODK-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CC(=O)c1ccccc1NC(=O)CSc1ccccc1Cl 3380555 GYINHQXEUUHLKT-UHFFFAOYSA-N 319.813 4.273 0 40 DIAB COc1cc2c(cc1NC(=O)c1ccccn1)oc1ccccc12 3517100 YVYIHRACNUYHIS-UHFFFAOYSA-N 318.332 4.242 0 40 DIAB CC(C)n1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 5235256 AOBBWTJMYMUHLP-OAHLLOKOSA-N 321.424 4.037 0 40 DIAB CC(C)Oc1ccc(NC(=O)COc2ccccc2Cl)cc1 5644336 ZGUCMXMTEOMHMQ-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB Cc1cc(OC[C@H](O)CN(C)C2CCCCC2)ccc1C(C)C 6008656 RHJQCYHOOZGEOK-GOSISDBHSA-N 319.489 4.123 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccccc3C)c12 6285836 FQZXCDHSXRWABC-UHFFFAOYSA-N 307.393 4.404 0 40 DIAB CCc1ccc2occ(CC(=O)Nc3ccc(OC)cc3)c2c1 6809745 WZRIDVYWEYNDRM-UHFFFAOYSA-N 309.365 4.185 0 40 DIAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886335 JTJAYVQZHCTXOF-IBGZPJMESA-N 322.408 4.204 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8049961 RDTPGRYOOQFEEE-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CC(C)(Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732964 YKLJCXGEPXFSGX-UHFFFAOYSA-N 321.442 4.161 0 40 DIAB Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1C(=O)O 8907311 FGDXKRLTUUFFIJ-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CCc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 10286648 IUJBALZJPAOXSD-UHFFFAOYSA-N 310.422 4.131 0 40 DIAB c1coc(CNc2nnc(SCC3CCCCC3)s2)c1 14303321 KAMKOVNQPDOHNW-UHFFFAOYSA-N 309.460 4.416 0 40 DIAB c1ccc(-c2csc(SCc3cn4cccnc4n3)n2)cc1 16493372 CIWZPOBKFUNAMD-UHFFFAOYSA-N 324.434 4.145 0 40 DIAB Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)nc2ccccc12 19714194 NVJGGNQNIVRQMN-KRWDZBQOSA-N 316.404 4.173 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Oc2ccccc2Cl)cc1C 36636296 LAARZPVTSOYODE-UHFFFAOYSA-N 310.802 4.033 0 40 DIAB C[C@@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 57999944 QOOMUXCSLYFMOF-OAHLLOKOSA-N 310.441 4.273 0 40 DIAB CCCC[C@@H](CC)C(=O)NCCSCc1ccccc1F 58637895 MRDHKTOYCDCIAO-CQSZACIVSA-N 311.466 4.392 0 40 DIAB Cc1sc(NC[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 58785146 KRXCXICFOVWSCA-MRXNPFEDSA-N 314.454 4.198 0 40 DIAB Cc1nnc([C@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 71902548 CLCZNRREPYESQN-NSHDSACASA-N 313.332 4.483 0 40 DIAB Clc1cc(Cl)nc(-c2ccccc2Br)n1 82473713 MVWLZTWXOGJQCU-UHFFFAOYSA-N 303.974 4.213 0 40 DIAB Cc1ccc(C(=O)c2ccc(N(C)C)cc2)cc1Br 95916768 JNAKQTABCHHYLU-UHFFFAOYSA-N 318.214 4.055 0 40 DIAB CCc1cnc([C@H](C)N[C@H](C)c2cccc(NC(C)=O)c2)s1 95968986 OZBQXVAJJNGJFW-NEPJUHHUSA-N 317.458 4.076 0 40 DIAB Cc1ccc(N2C(=S)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)cc1 100032813 AATQCYLVVOFJHL-XVSDVWIESA-N 324.449 4.176 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(Cl)cc1 113954020 XXPLMXVECDQKJP-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB Cc1cc(O)ccc1NC(=O)c1cc(C(F)(F)F)ccc1F 176839030 VTZAYCZTRZPXKU-UHFFFAOYSA-N 313.250 4.111 0 40 DIAB CCS[C@@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 199414585 DSRHIMVBYJBFEU-FZKQIMNGSA-N 303.471 4.266 0 40 DIAB Nc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1 216851420 QGKOHHAOFQLJKZ-UHFFFAOYSA-N 301.345 4.196 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2ccccc2C1 222977566 DCWYVDUGRCANSW-HXUWFJFHSA-N 323.436 4.046 0 40 DIAB CC[C@H](C)NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225260001 LEBNCTACLYWHNZ-ZDUSSCGKSA-N 307.397 4.067 0 40 DIAB CNc1ccc2nc(Cc3ccc(Br)cc3)oc2c1 226271144 MADKKNSCKMZGIJ-UHFFFAOYSA-N 317.186 4.223 0 40 DIAB Cc1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1 408564308 VMNFYDNJMHRQLG-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CCOC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1Cl 575360800 OMAYIPAMAIFQMI-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB COc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 917081 KNJJDOOIIBTZHX-UHFFFAOYSA-N 310.422 4.473 0 40 DIAB O=C(c1cccc(Cl)c1)c1ccc2ccccc2c1C(=O)O 1599926 DZQRZWOTZKTNGP-UHFFFAOYSA-N 310.736 4.422 0 40 DIAB CCN(CC)CCCCCNc1cc(OC)cc2cccnc12 1685575 QTADMYARJLATGX-UHFFFAOYSA-N 315.461 4.167 0 40 DIAB COC(=O)c1c(C)ccc(C)c1C(=O)c1c(C)cc(C)cc1C 1689915 RLIATIANMGPLFK-UHFFFAOYSA-N 310.393 4.246 0 40 DIAB CC(C)C[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2344547 VZUIUTWVGFSQKE-RYUDHWBXSA-N 311.809 4.052 0 40 DIAB Cc1ccc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 2619204 YOILKWMNIOVQHJ-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F 3403029 JUQFHFCHKLJYHE-QPJJXVBHSA-N 311.690 4.409 0 40 DIAB CCc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 4179613 BTSXIOCBBWGMIG-MRXNPFEDSA-N 312.438 4.043 0 40 DIAB C[C@@H]1Cc2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 5029682 HTUIKPYRGODLDO-SEDUGSJDSA-N 324.376 4.104 0 40 DIAB biogenic CCc1ccc(OCC(=O)Nc2c(CC)cccc2CC)cc1 5295063 YLSPCKCABTUKAO-UHFFFAOYSA-N 311.425 4.391 0 40 DIAB C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccccc1 7457265 AERFWTOXMPUYMB-LBPRGKRZSA-N 305.830 4.137 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 7935336 YEHBFTXMQQFBAE-NSHDSACASA-N 321.829 4.468 0 40 DIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Cl)c(Cl)c1 8715556 KGVSNENHIDVPNE-NXEZZACHSA-N 301.169 4.067 0 40 DIAB O=C(c1cccs1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188013 MTXPXWPGUHFLNQ-MRXNPFEDSA-N 322.433 4.316 0 40 DIAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1 12947388 ABRJHGODPPPIFV-AWEZNQCLSA-N 324.449 4.496 0 40 DIAB CCc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)sc1C 14138729 CISRMHRYYMCAIY-UHFFFAOYSA-N 323.801 4.253 0 40 DIAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 16014189 KWFQNVPGHHWHFY-WFASDCNBSA-N 322.433 4.482 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 18702466 XFWNMCQWRKPKEH-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl 20193926 OMSODSBOGMUIRS-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB Cc1ccc([C@H](NC[C@@H](O)c2ccccc2)c2ccccc2)cc1 25664775 WRKBIPRRSXHZAA-FGZHOGPDSA-N 317.432 4.408 0 40 DIAB C[C@H]1CCc2noc(NC(=O)c3cccc4ccccc34)c2C1 27794687 KGLKPMGVRBVGMW-LBPRGKRZSA-N 306.365 4.205 0 40 DIAB CCC(CC)C(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 28230534 HAGFKMJNWHOWPV-UHFFFAOYSA-N 313.445 4.231 0 40 DIAB CC(C)[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1cccs1 32715683 BSKWABVKTYDBPF-PBHICJAKSA-N 317.454 4.167 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 36397025 JXKJTLPBHKVRTM-QWHCGFSZSA-N 318.367 4.395 0 40 DIAB O=C(Cc1ccccc1F)N1CCC[C@H]1c1ccc(Cl)cc1 36620718 UBHBOUHISDIHGG-KRWDZBQOSA-N 317.791 4.385 0 40 DIAB COC(=O)c1cc(Nc2ccc(F)c(F)c2)c2ccccc2n1 38486579 IYGPSAJZGAWZGS-UHFFFAOYSA-N 314.291 4.043 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)s1 48345535 OBCZXKBCDOSENK-CYBMUJFWSA-N 303.427 4.335 0 40 DIAB Fc1ccc2c(c1)[C@H](Nc1ncnc3ccsc13)CCCO2 53583066 UJRRSNWVLRKUTK-GFCCVEGCSA-N 315.373 4.156 0 40 DIAB Cc1noc(C)c1CN1CCC(c2c[nH]c3ccccc23)CC1 69415435 XHDZLBMERBXIRV-UHFFFAOYSA-N 309.413 4.152 0 40 DIAB COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)cc1 71977368 NSOBVDRFKAYXCI-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 72331426 DSGLWCJYDYVSBK-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB COc1ccccc1[C@H](C)SCc1nnc(-c2ccco2)o1 76065281 FHKCBFQJVNHXPG-NSHDSACASA-N 316.382 4.333 0 40 DIAB COc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c(Cl)c1 95446831 IGWSGAJSBPPBCF-INIZCTEOSA-N 319.836 4.026 0 40 DIAB Cc1n[nH]c2cc(NC(=O)N[C@H]3CCCc4ccccc43)ccc12 95468883 DUINAEPATMUSAO-KRWDZBQOSA-N 320.396 4.070 0 40 DIAB O=C(c1cccs1)N1CCC(Oc2ccccc2Cl)CC1 96484066 QQVVKKPGGHLIBX-UHFFFAOYSA-N 321.829 4.085 0 40 DIAB CC(C)(C)SCCNC(=O)CCc1cccc2ccccc12 222664150 HYRXUGHFQNSJNA-UHFFFAOYSA-N 315.482 4.420 0 40 DIAB CCCCN1c2cc(OC)c(C(=O)O)cc2[C@@H](C)CC1(C)C 223779356 REGCJGDOLZPSDP-LBPRGKRZSA-N 305.418 4.286 0 40 DIAB O=C(Nc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255057 RFEOTHBJDKUZBI-UHFFFAOYSA-N 313.360 4.482 0 40 DIAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CC)OC)cc1C 225604321 DTZQAUIPUUPZQR-SFHVURJKSA-N 307.434 4.236 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)cc2)CCC[C@H](C)C1 225660809 ZJRJIFOYRZDYSV-KXBFYZLASA-N 319.445 4.399 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3C)nn2)cc1C 408530614 PVXCNBIRHOMIBQ-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504232992 RLZHZYQEOVXLEK-GUDVDZBRSA-N 323.392 4.293 0 40 DIAB O=C(O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 575409818 XJHVLONLGXPFII-UHFFFAOYSA-N 316.662 4.430 0 40 DIAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)NC1CCCCC1 522076 MIYQYMXBYUYIOE-QGZVFWFLSA-N 315.388 4.390 0 40 DIAB Cc1ccc2[nH]c3c(NCCc4ccccc4F)ncnc3c2c1 545005 KKDSGCRVUJDQAK-UHFFFAOYSA-N 320.371 4.213 0 40 DIAB CC(=O)Oc1ccc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 1210928 SRZZJSRTPWVXAD-JDLWYKBKSA-N 300.398 4.148 0 40 DIAB CCOc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 3435641 MWKLIGKJBZOMOU-UHFFFAOYSA-N 315.800 4.409 0 40 DIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCCCC1 3446414 NNXNTMAZTVVOFR-UHFFFAOYSA-N 323.502 4.294 0 40 DIAB c1ccc(COc2ccc3c(c2)c2c4n3CCN[C@H]4CCC2)cc1 4030269 QVGYABWUBFHWOE-IBGZPJMESA-N 318.420 4.201 0 40 DIAB COc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2C)cc1 4279329 QMJGCVKUJVFCFC-UHFFFAOYSA-N 304.415 4.112 0 40 DIAB Cc1ccc(C)c(CSc2nnc([C@@H](N)CC(C)C)o2)c1 5069791 UTYCDIIRZNFWAH-AWEZNQCLSA-N 305.447 4.025 0 40 DIAB CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C(=O)CCN1CCc2ccccc2C1 5492734 MLTMAMPTDYDEJA-IMFGXOCKSA-N 311.469 4.076 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 5679875 DTEFAPWHXMNJPU-UHFFFAOYSA-N 313.303 4.379 0 40 DIAB Cc1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 5960680 WOSSMYHLWFQBPR-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1 6315779 LBPCCZNTCBYHBB-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB COc1cccc(CNC(=S)Nc2ccc(C(C)C)cc2)c1 7368550 AQZZGZBXRPAZEY-UHFFFAOYSA-N 314.454 4.305 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 7951333 AODVLURORSWNKF-LFYBBSHMSA-N 310.372 4.078 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(OC)c1 11637145 KQBRAFUDDJVMBZ-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1ccccc1[C@@H](Sc1nnc(N)s1)c1ccccc1 13008130 VMHPRNDTXIUKQH-AWEZNQCLSA-N 313.451 4.310 0 40 DIAB COc1ccccc1NC(=S)Nc1cc(Cl)ccc1OC 13790126 POKVOZNLPGQEMF-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB O=C(Nc1cc(F)ccc1F)C1=Cc2cc(Cl)ccc2OC1 16182309 PPAPHWCNLKOWAZ-UHFFFAOYSA-N 321.710 4.033 0 40 DIAB c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 16493163 LCZNYTPFEVDXAN-UHFFFAOYSA-N 317.388 4.372 0 40 DIAB CC(C)c1ccc(/C=C2/CC(=O)N(c3ccccc3)C2=O)cc1 16926184 GESMGZANQJBLDS-ATVHPVEESA-N 305.377 4.157 0 40 DIAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc2ccccc12 17840874 HANIORYUHGINRZ-ZDUSSCGKSA-N 315.376 4.207 0 40 DIAB Cc1nc2cc(/N=c3/ccc4ccccc4n3C)ccc2s1 18156041 YEIKKJQQBIYSLL-ZZEZOPTASA-N 305.406 4.329 0 40 DIAB O=C(Nc1nncs1)c1cc2sc3ccccc3c2s1 22705012 NZWOLXUPHJLFBW-UHFFFAOYSA-N 317.420 4.220 0 40 DIAB Cc1ccc(-c2nnc3n2N=C(C2CCCCC2)CS3)cc1 32604242 QBBQBFVAZLXLLC-UHFFFAOYSA-N 312.442 4.144 0 40 DIAB Cc1ccc(CN(C)C(=O)N[C@@H]2CCc3ccccc32)c(C)c1 32802496 UPBXIMYJYAADNB-LJQANCHMSA-N 308.425 4.132 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 32915464 AEDFFWWYGWEWFU-QGZVFWFLSA-N 317.454 4.339 0 40 DIAB O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1cccc(F)c1 36620554 YWAZFVGLPQDDAG-MRXNPFEDSA-N 302.324 4.334 0 40 DIAB O=S(=O)(C/C=C/c1ccccc1)Cc1ccc(F)cc1Cl 40060002 GTWSHIGMFBFYOC-QPJJXVBHSA-N 324.804 4.107 0 40 DIAB COc1ccccc1NC(=O)NCc1ccccc1C(F)(F)F 44845660 RSCXJJHCYCBNKI-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N(C)C2CCCC2)cc(C)c1Cl 44902650 DCJZALRTLHXMQL-CYBMUJFWSA-N 309.837 4.125 0 40 DIAB Cc1cc(C)c(NC(=O)CCc2ccccc2Cl)c(C)n1 48344652 CNEIWPXPHZOEQO-UHFFFAOYSA-N 302.805 4.232 0 40 DIAB COc1ccc(CNC(c2ccccc2)c2ccccc2)cc1O 48354212 FHFWJEQLRKLLCM-UHFFFAOYSA-N 319.404 4.280 0 40 DIAB O=C(CCc1cccc(F)c1F)N1CCC[C@@H]1c1ccsc1 69350003 NMYOFEHNLAYRJG-OAHLLOKOSA-N 321.392 4.323 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1Cl 72211495 IVGNEWKNEAKTHA-HNNXBMFYSA-N 316.788 4.209 0 40 DIAB Cc1ccccc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 72369821 LHBXKGCRNQVEMI-SFHVURJKSA-N 319.408 4.035 0 40 DIAB Cc1ccc([C@@H](c2ccccn2)N(C)Cc2csc(C)n2)cc1 76729141 OUFXTOCAQVGWOC-IBGZPJMESA-N 323.465 4.376 0 40 DIAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(F)cc1 95094977 AKFZUSGKLQDLEJ-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB Cc1c(-c2ccccc2)nn2c(-c3ccccc3O)ccnc12 95477810 HJYNTAXXYKXFHC-UHFFFAOYSA-N 301.349 4.077 0 40 DIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1nccs1 95947816 WRRSSVVUGMBZPQ-UHFFFAOYSA-N 307.378 4.358 0 40 DIAB COC[C@H](N[C@H]1C[C@H](C)Sc2ccccc21)c1ccco1 95968846 SYQUNUCFCQBUAN-QEJZJMRPSA-N 303.427 4.182 0 40 DIAB CC(C)N(C(=O)COCc1ccc(Cl)cc1)c1ccccc1 97104858 SWNVTMPTBQIUDT-UHFFFAOYSA-N 317.816 4.298 0 40 DIAB CCOC[C@H]1CCCN([C@H](C)c2ncc(-c3ccccc3)o2)C1 107052904 LIRONJMOSQYXJR-CVEARBPZSA-N 314.429 4.151 0 40 DIAB O=C(c1ccco1)N1CCS[C@@H](c2ccccc2Cl)CC1 208046442 YEFWRYPMNNOUCP-OAHLLOKOSA-N 321.829 4.253 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cc(C)ccc1C 224293835 OZNKRLWOGJMMMU-DLBZAZTESA-N 305.462 4.403 0 40 DIAB CCc1ccc(CC)c(CNC(=O)CCc2ccccc2F)c1 225114038 PKRWISSWUOEJMN-UHFFFAOYSA-N 313.416 4.200 0 40 DIAB COc1cc(C(=O)Cc2cccs2)c(Cl)cc1Cl 575361591 URVXYHWOLPITIC-UHFFFAOYSA-N 301.194 4.489 0 40 DIAB CC(C)N(Cc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1 583697465 JADZWEGOROOVFU-UHFFFAOYSA-N 317.776 4.398 0 40 DIAB COC(=O)c1sccc1NC(=O)c1ccc(C(C)(C)C)cc1 80426 ABDVCOFSXBOYDJ-UHFFFAOYSA-N 317.410 4.085 0 40 DIAB CCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1 422648 WHXMTNSRXNPNCE-UHFFFAOYSA-N 300.745 4.456 0 40 DIAB Cc1ccc([C@H]2C(=O)c3ccccc3[C@]2(O)c2ccccc2)cc1 1016605 PGJFNBYODRCHKH-RBBKRZOGSA-N 314.384 4.211 0 40 DIAB C[C@H](CN(C)C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698636 GYKTWUOGJHJSJV-RDTXWAMCSA-N 309.881 4.306 0 40 DIAB CCCCOC(=O)Nc1ccc(C(=O)OCCC(C)C)cc1 1770658 XMFQDOOICFXKIU-UHFFFAOYSA-N 307.390 4.238 0 40 DIAB O=C(CSc1nc2ncccc2[nH]1)c1ccc2ccccc2c1 2344133 LCONQYJMHPJVCJ-UHFFFAOYSA-N 319.389 4.086 0 40 DIAB CC1(C)COC(CCCCC(=O)c2cc(F)ccc2F)OC1 2518082 IPZBNQZUCNDYFW-UHFFFAOYSA-N 312.356 4.107 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1Cl 3221722 LNPUFYSTWPEHPJ-GFCCVEGCSA-N 305.780 4.230 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(Br)s1 3432702 QWEALCXQPBSGTN-UHFFFAOYSA-N 318.142 4.041 0 40 DIAB CC(=O)c1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 3499309 ZXEQZSUVVFJSJS-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB C[C@@H]1CC[C@](C)(C(=O)COC(=O)CCc2ccccc2)C1(C)C 3846183 MNRYYNBFZMOGDH-FOIQADDNSA-N 316.441 4.194 0 40 DIAB biogenic CSc1nc2ccccc2n1C(=O)/C=C/c1ccc(F)cc1 4275655 VOIDGJAIZRDZEY-DHZHZOJOSA-N 312.369 4.251 0 40 DIAB Cc1ccccc1NC(=O)N1CCS[C@H]1c1cccc(F)c1 4455275 FPXARWYHVYYGAY-INIZCTEOSA-N 316.401 4.414 0 40 DIAB CCCCC(=O)N(CC)c1nnc(-c2ccccc2C)s1 4982372 JQUOFZDCYLWORX-UHFFFAOYSA-N 303.431 4.057 0 40 DIAB COC(=O)c1ccc(COc2ccc3c(c2)[nH]c2ccccc23)o1 5498308 ORMDAZWWBPKHCB-UHFFFAOYSA-N 321.332 4.280 0 40 DIAB Cc1cccc(N/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1 5798966 BKGCIJDRXYZCQQ-WJDWOHSUSA-N 324.405 4.144 0 40 DIAB CCOc1ccc2nc(SCc3ccc(F)cc3)[nH]c2c1 6028564 LBZPDSQYRUGYJW-UHFFFAOYSA-N 302.374 4.393 0 40 DIAB CCc1cccc(C)c1NC(=O)CSc1nc(C)cs1 6710480 CVVIHUYPBRVWOI-UHFFFAOYSA-N 306.456 4.053 0 40 DIAB Cc1nc2ccc(NC(=O)Cc3ccccc3Cl)cc2s1 6790401 JRMRLFLZRPCIGP-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB CCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 7261682 YVQVOHSPKXVRGY-UHFFFAOYSA-N 313.441 4.472 0 40 DIAB O=C(OCc1nc2ccccc2s1)C1(c2ccccc2)CC1 7397280 GQVPKLXFDMQDAB-UHFFFAOYSA-N 309.390 4.071 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12672771 HMSGZGIKWSXIPJ-FOIQADDNSA-N 322.452 4.317 0 40 DIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1F 12907213 ASFBUZBAQQVKNJ-AWEZNQCLSA-N 323.339 4.071 0 40 DIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)o1 12917950 ZBNDWQKNHMGXFU-UHFFFAOYSA-N 322.094 4.440 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1C 13582346 NWMLJYWIHGBKLK-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB O=C1C[C@H](c2ccc(F)cc2)Cc2c1cnn2-c1ccc(F)cc1 17066373 RUBPBMUNEZADHT-CYBMUJFWSA-N 324.330 4.063 0 40 DIAB CC(C)c1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19453312 KAKIUANEYZFNNT-VQTJNVASSA-N 313.416 4.221 0 40 DIAB Cn1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cn1 25307117 ZFZAPPHIXQGSEP-UHFFFAOYSA-N 317.801 4.054 0 40 DIAB CC(=O)c1c(Nc2cc(Cl)cc(Cl)c2)oc(C)cc1=O 27027866 BLUIJZNWWSCAOO-UHFFFAOYSA-N 312.152 4.201 0 40 DIAB Cc1ccc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc1 27698734 YKPTUWNVPSGJEO-UHFFFAOYSA-N 310.422 4.484 0 40 DIAB O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1cccs1 32806130 QIVJLIFXROYXIK-GOSISDBHSA-N 322.433 4.337 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccc(F)cc1 32901519 FGYNFNVRXGIYKJ-IBGZPJMESA-N 320.367 4.351 0 40 DIAB Cc1nc(/C=C/C(=O)N[C@@H](C)c2ccc(Cl)s2)cs1 33193069 KCUWYBUUOCLHOD-HFSLJOEWSA-N 312.847 4.057 0 40 DIAB COc1cccc(CO)c1OCc1ccc(Cl)c(Cl)c1 35413056 YMSXYZYXUKWCNC-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB CC(C)c1nc2cc(NC(=O)Cc3cccc(F)c3)ccc2o1 40081688 KDKHOFAHTUENSI-UHFFFAOYSA-N 312.344 4.272 0 40 DIAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)n[nH]2)cc1 44839114 QQXRKZGZXDSTRO-ZDUSSCGKSA-N 323.371 4.015 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccs1 44869410 AFCCGRRJCAHQML-JTQLQIEISA-N 302.424 4.191 0 40 DIAB Cc1cc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)c(C)o1 60138292 LONVYMXHMFLVGC-JTQLQIEISA-N 311.303 4.406 0 40 DIAB Cc1ccccc1C[S@@](=O)Cc1ccccc1C(F)(F)F 69807550 XDCXKTJRFOYYDO-NRFANRHFSA-N 312.356 4.463 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213814 VRJMCMRGPRSSMZ-GOSISDBHSA-N 321.424 4.023 0 40 DIAB Clc1cnc2oc(-c3ccccc3Br)nc2c1 78406981 RTGQWTCMSUXRKT-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB Cc1cccc(CNC(=O)CNc2ccccc2C(C)(C)C)c1 78640182 YWVKXOXXNFUUCF-UHFFFAOYSA-N 310.441 4.021 0 40 DIAB CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2nc(C)cs2)s1 78936346 QGRWCNGVYCCWMJ-SNVBAGLBSA-N 324.475 4.004 0 40 DIAB CC(C)(C)OC(=O)n1c(C(=O)C(F)(F)F)cc2ccccc21 91352964 SZJZSRSABBHFCT-UHFFFAOYSA-N 313.275 4.170 0 40 DIAB CN(Cc1ccc(N2CCCC2)nc1)Cc1cc2ccccc2o1 93689168 RBJITGDLEXUTEJ-UHFFFAOYSA-N 321.424 4.060 0 40 DIAB O=C(O)CC1(CC(=O)c2cc(F)cc(Cl)c2)CCCCC1 95634020 NTPCSRCSJMOCEY-UHFFFAOYSA-N 312.768 4.477 0 40 DIAB Nc1oc(=O)c2ccccc2c1Nc1ccc(Cl)cc1Cl 101425871 UHNUSKITZMCOML-UHFFFAOYSA-N 321.163 4.426 0 40 DIAB O=C(O)/C(=C/c1ccc(F)cc1)Sc1nc2ccccc2o1 211504577 NFBFFOBEPDRZTF-ZROIWOOFSA-N 315.325 4.185 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1ccccc1 222627659 BOBQXMJRXHHGGW-INIZCTEOSA-N 310.397 4.419 0 40 DIAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccccc1 222678004 NNZTXULEJQOVST-GOSISDBHSA-N 311.425 4.204 0 40 DIAB Cc1cccc(C)c1C[C@H](Oc1ccccc1Cl)C(=O)O 225030649 JIQDFCLXOGIZGF-INIZCTEOSA-N 304.773 4.032 0 40 DIAB C[C@H](NC(=S)Nc1ccncc1)c1ccc(C(C)(C)C)cc1 225409241 AYQXZZJUHLRRSJ-ZDUSSCGKSA-N 313.470 4.427 0 40 DIAB Cc1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225840701 IGWBTXAAKOSDKC-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB COC(=O)c1c(C)sc2c(C(F)(F)F)cc(Cl)nc12 160042 VVULSNJQSLJHNB-UHFFFAOYSA-N 309.696 4.064 0 40 DIAB Cc1cccc(NC(=S)N2CCCC[C@H]2c2cccnc2)c1 240156 RJULKOAZXBIPRI-KRWDZBQOSA-N 311.454 4.314 0 40 DIAB biogenic Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 267067 HLGTXXMQNFWVTI-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB Clc1ccc(CSc2nnc(-c3cccnc3)o2)cc1 411432 LCBAEKUWBPNRFM-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1cccs1 1425359 MPAZEAQIZDJMTR-UHFFFAOYSA-N 321.401 4.426 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3nc(C)c(C)nc3c2)C1(C)C 1427366 GDFPHELAPFAEGX-YJBOKZPZSA-N 323.440 4.424 0 40 DIAB CCN(CC)c1cccc(OC(=O)Nc2ccc(OC)cc2)c1 1718632 NNTYXNCRYRSQBC-UHFFFAOYSA-N 314.385 4.152 0 40 DIAB O=C1OC(c2cccs2)=N/C1=C\c1ccc2ccccc2c1 2268978 DEQRODOOCYPNQV-PTNGSMBKSA-N 305.358 4.246 0 40 DIAB Cc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166998 BLPWNJHBODLFJI-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 5865351 ZXLIONNYTKIHBT-INIZCTEOSA-N 319.404 4.404 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1ccccc1F 6883591 PMGGTUDPOBWLOS-UHFFFAOYSA-N 317.404 4.159 0 40 DIAB Cc1ccc(NC(=S)NCCc2ccccc2)cc1Cl 7558689 CZMVVDOHKIDFHK-UHFFFAOYSA-N 304.846 4.178 0 40 DIAB O=c1[nH]c(Cc2ccccc2)nc2sc(-c3ccccc3)cc12 8922629 BTNJLVXOYKTHGZ-UHFFFAOYSA-N 318.401 4.242 0 40 DIAB Cc1ccc([C@H](NC(=O)COc2ccc(C)c(C)c2)C2CC2)cc1 11234284 JMLDXMCQGKKUDC-NRFANRHFSA-N 323.436 4.258 0 40 DIAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccoc1 11599797 UIZWHOMJGIPHJC-UHFFFAOYSA-N 310.378 4.219 0 40 DIAB CCCn1c(NC(=O)C2(c3ccccc3)CC2)nc2ccccc21 12546418 WZAIOGGJJRZZAG-UHFFFAOYSA-N 319.408 4.117 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1csc(-c2ccccc2)n1 12740551 QUUGQJAWNIZJCA-ZDUSSCGKSA-N 320.417 4.402 0 40 DIAB Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 13207930 WLIAWSIAJISOFK-UHFFFAOYSA-N 310.784 4.240 0 40 DIAB O=S(=O)(Nc1ccccc1Cl)C1=Cc2ccccc2CC1 14235019 HVEUZHIIMBALLP-UHFFFAOYSA-N 319.813 4.069 0 40 DIAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1 16401055 PLNLBGIEDSHUDE-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB COc1ccc(NC(=O)Nc2ccccc2OC)cc1Cl 18177909 DMCISELHTZODAA-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB CCN(CC)Cc1c(-c2ccc(OC)cc2)[nH]c2ncccc12 19526442 TUQFQXOTOHWEAW-UHFFFAOYSA-N 309.413 4.080 0 40 DIAB O=c1cc(-c2ccccc2)[nH]c2ccc(OC(F)(F)F)cc12 19722008 AGANZYHJTRUZTD-UHFFFAOYSA-N 305.255 4.094 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1c2ccccc2C[C@H]1C 19932355 ZLFAYSSAUZHALL-BEFAXECRSA-N 323.436 4.439 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1c(F)cccc1F 20107542 UBPQSTSFOPADGG-OAHLLOKOSA-N 319.351 4.378 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(F)cc1 20107592 SJZGJFLGNIQFEH-NWDGAFQWSA-N 321.779 4.124 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23954769 CTKVQCOIVDSSET-HZPDHXFCSA-N 323.436 4.210 0 40 DIAB CC[C@H](NC(=O)c1ccccc1)c1ccccc1OC(F)F 27358960 AGVOGAVXKFERDW-AWEZNQCLSA-N 305.324 4.169 0 40 DIAB O=C(Nc1cccc2nsnc12)C1(c2ccccc2)CCCC1 30822875 HOVUQSUVLXBKAY-UHFFFAOYSA-N 323.421 4.142 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)c(Cl)c1 30849823 VMYWHUCEKLZHOS-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CCn1nc(C(C)C)cc1C(=O)Nc1ccc(Cl)cc1C 31873092 CAZSLFJQXGZMFZ-UHFFFAOYSA-N 305.809 4.241 0 40 DIAB Cc1ccc(CS(=O)(=O)Cc2ccc(C)cc2C)c(C)c1 32141354 KQRASGJDLRDCSN-UHFFFAOYSA-N 302.439 4.035 0 40 DIAB CCOc1ccc(N[C@@H](C)c2ccccc2Cl)cc1CO 37901489 PAEABEUEZLJRNM-LBPRGKRZSA-N 305.805 4.404 0 40 DIAB CC[C@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C 40062616 WOILFFNFJWTBND-LBPRGKRZSA-N 304.415 4.116 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 40478314 XKJHZQNJOKAYJM-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB COc1ccc(-c2nc(COc3ccc(C)cn3)cs2)cc1 75077098 LTQOMLWTINRGQV-UHFFFAOYSA-N 312.394 4.101 0 40 DIAB Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(OCCC(C)C)cc2)o1 79030400 RVSDEOOOJFNYBF-UONOGXRCSA-N 317.433 4.215 0 40 DIAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(C)cc1 79072087 IFDGVBQBJAHYIK-SFHVURJKSA-N 323.440 4.258 0 40 DIAB Cc1cnc(CN(C)Cc2ccccc2-c2ccccc2)cn1 95938959 PTXHDRQMEYHYQG-UHFFFAOYSA-N 303.409 4.084 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 121714876 MFRARTLKTXGULE-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCc2ccccc2C1 222946845 SGRUGXZMXSNENU-LJQANCHMSA-N 323.436 4.046 0 40 DIAB Cc1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 223436357 HDVFOYQNTXTGCF-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB Cc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1C 225033421 CAPZVAILDWUWBT-INIZCTEOSA-N 304.773 4.032 0 40 DIAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(Cl)cc1 225781588 SHGCBBQKVHYJMU-GFCCVEGCSA-N 320.845 4.094 0 40 DIAB CCc1nc(-c2ccc(Cl)cc2OC(C)C)ccc1C(=O)O 585265842 SLJKZOHGARZZFE-UHFFFAOYSA-N 319.788 4.450 0 40 DIAB Cc1ccc(C(=O)Nc2sc(N)nc2-c2cccs2)cc1 1105845 NHHABJPWPOEQRP-UHFFFAOYSA-N 315.423 4.015 0 40 DIAB CCOc1ccccc1NC(=O)CSCc1ccc(C)cc1 1290517 LZOHRKBHWYNTNG-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 4666484 XTYRDMZUCRUKEW-UHFFFAOYSA-N 318.328 4.302 0 40 DIAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccncc1)c1ccc(Cl)cc1 5226918 QJHDKYJHBQENLR-GUYCJALGSA-N 316.832 4.352 0 40 DIAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)NCc1ccc(C)cc1 6652257 AEUOWEIZZSLVPX-SDNWHVSQSA-N 314.816 4.281 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncccn1 6913095 QUTMTVJYOPEAKY-CHWSQXEVSA-N 315.442 4.109 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 7381971 NCIHEGRPZYIGJE-LBPRGKRZSA-N 321.417 4.448 0 40 DIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Cl)cc1 7780250 PEXPEJIZLDTJGR-UHFFFAOYSA-N 322.113 4.222 0 40 DIAB Cc1ccccc1NC(=O)c1cc(F)ccc1Br 8007234 XCDYHTLEXWBQDW-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1Cl 8041824 MEEFMTHPCIGRAD-CQSZACIVSA-N 319.788 4.145 0 40 DIAB CC(=O)Nc1ccc(OCc2ccccc2C(F)(F)F)cc1 8403160 TWFWJMSFVUPGFS-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1 11618696 PEQGDKYSCLFCGL-UHFFFAOYSA-N 302.377 4.404 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 13004884 INNBUMMWGMJGSG-HZPDHXFCSA-N 321.420 4.036 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2)c1C 14754164 DHXQTLDJSRCAGW-CYBMUJFWSA-N 301.411 4.198 0 40 DIAB Cc1[nH]c2ccccc2c1CCNCc1ccc(F)cc1F 19798223 CBTGYUGBNVXZKQ-UHFFFAOYSA-N 300.352 4.087 0 40 DIAB CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl 20107707 YUCNPDSDIZSSJI-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB Nc1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 21804637 MHYJBZLUYPSCMB-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB COc1cccc([C@H]2CCCN2Cc2cc(-c3ccco3)on2)c1 25069020 WPFFGGVDQMYBPM-QGZVFWFLSA-N 324.380 4.280 0 40 DIAB Cc1ccc([C@@H](NC[C@@H](O)c2ccccc2)c2ccccc2)cc1 25664770 WRKBIPRRSXHZAA-YADHBBJMSA-N 317.432 4.408 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C)cc1 30861783 PFWZYOGWELJUIJ-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB CCCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622129 KIWLGYPEJULPIR-UHFFFAOYSA-N 307.353 4.142 0 40 DIAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2o1 33235589 FPFHYAUQODUPGV-BZYZDCJZSA-N 312.394 4.122 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 36623278 GFGVEQIZRHOBJT-KBPBESRZSA-N 315.388 4.033 0 40 DIAB Cc1ccccc1CNC(=O)Nc1ccccc1C(F)(F)F 40095999 HZLNFSBNCSJRBA-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB CC(=O)c1cnc(N(C)c2cccc(Cl)c2Cl)s1 43798941 XEKCRYLJRURCCR-UHFFFAOYSA-N 301.198 4.420 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 44842581 FXFWWQYPEYIMSG-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB c1cc(-c2noc(CN3CCC[C@H]3c3ccsc3)n2)cs1 46088678 JDBZEAWVSQPIHX-ZDUSSCGKSA-N 317.439 4.197 0 40 DIAB Clc1cccc(-c2cc(Cn3cnc4ccccc43)on2)c1 66089109 FECKUPAZFKBXKE-UHFFFAOYSA-N 309.756 4.393 0 40 DIAB Cc1nc(OCc2ccccc2)ccc1[C@H](O)c1ccccc1 72224468 MGOGAYKQJYLXEG-HXUWFJFHSA-N 305.377 4.051 0 40 DIAB Cc1ccoc1C(=O)Nc1nc2ccccc2n1C1CCCC1 76933817 PORYCSAHGFSAIV-UHFFFAOYSA-N 309.369 4.305 0 40 DIAB c1ccc2oc(-c3nccn3Cc3cc(C4CC4)on3)cc2c1 77300595 FNJOCJGMWLNXFR-UHFFFAOYSA-N 305.337 4.210 0 40 DIAB Cc1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)c(C)c1 78953950 JROPWORCVLNMSJ-MRXNPFEDSA-N 314.454 4.141 0 40 DIAB CCc1c(NC(=O)[C@H](C)c2ccc(C)s2)cnn1CC(C)C 89280414 JZKHEBLKFFPIFY-CYBMUJFWSA-N 319.474 4.214 0 40 DIAB O=C(Nc1cccc(F)c1)N[C@@H](C1CCCC1)C(F)(F)F 95409426 QDTVZTIEDKDVEN-LBPRGKRZSA-N 304.287 4.068 0 40 DIAB Cc1ccc(C(C)C)cc1OC(=O)c1ncoc1[C@@H]1CCCO1 96407058 PGSQHXFOXWTZLI-AWEZNQCLSA-N 315.369 4.177 0 40 DIAB CCc1ccc([C@H]2CCCN2C(=O)CCc2ccsc2)o1 96409939 WABQQSIPNJRYKL-OAHLLOKOSA-N 303.427 4.200 0 40 DIAB Cc1cc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c(C)o1 211143039 VXFAZFCCBYFFAK-QGZVFWFLSA-N 315.438 4.217 0 40 DIAB Cc1cc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c(C)o1 211143089 VXFAZFCCBYFFAK-KRWDZBQOSA-N 315.438 4.217 0 40 DIAB Cc1cc(C)cc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225781315 PWSVKMWWHATWOK-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB Cc1ccc(C(=O)Sc2nnc(-c3ccc(C)cc3)o2)cc1 408598801 BHXDELGREDRUBV-UHFFFAOYSA-N 310.378 4.286 0 40 DIAB Cc1nc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2s1 408975375 AVFUEDXOUWKNOU-INIZCTEOSA-N 322.433 4.234 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)c1nc([C@H]2CCCOC2)no1 554832483 UJBFQTULAMZFTK-HIFRSBDPSA-N 324.380 4.257 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](c2ccsc2)C1 675008389 VLUIVTBUMBDQIO-LLVKDONJSA-N 323.820 4.099 0 40 DIAB O=C(CSCc1ccccc1Cl)NCc1ccc(F)cc1 262834 DIHGQFBPOWTOJC-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB CCCCCC[C@H](C)N(CC)CCOC(=O)c1ccc(N)cc1 1710535 QBMIRMQLZIGNEJ-INIZCTEOSA-N 320.477 4.106 0 40 DIAB COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC)OC)cc1 2055026 QLRXYBVYQWDRHH-INIZCTEOSA-N 321.313 4.292 0 40 DIAB CCCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C 2481817 BOOFVMRELIKOTA-UHFFFAOYSA-N 300.276 4.299 0 40 DIAB CC1(C)COC(CCCCC(=O)c2ccccc2Cl)OC1 2518050 PCJYUMCNWVWYBO-UHFFFAOYSA-N 310.821 4.482 0 40 DIAB CN(C)CCSc1nc2ccccc2cc1Cc1ccccc1 4929996 IIDRDZYJDMMVSM-UHFFFAOYSA-N 322.477 4.479 0 40 DIAB c1ccc2c(c1)CCc1ccccc1N2[C@H]1CN2CCC1CC2 5162687 JCBQCKFFSPGEDY-NRFANRHFSA-N 304.437 4.018 0 40 DIAB in-man O=c1c(-c2ccccc2)c(O)c2c(n1-c1ccccc1)CCCC2 6557694 NQTBPAHDTQHICD-UHFFFAOYSA-N 317.388 4.089 0 40 DIAB O=C(NCc1ccccc1)c1cccnc1Sc1ccccc1 6646624 LPBIDTQPWRZZIR-UHFFFAOYSA-N 320.417 4.163 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 6654420 FTABGKWBXLILMY-JTQLQIEISA-N 324.207 4.493 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 6657117 CYKJKVZYPMNXTI-DHZHZOJOSA-N 315.316 4.152 0 40 DIAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)C(F)(F)F 8071096 OSWGWORCQWLGOQ-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1 8790862 OSULWCIANLMVBQ-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCC(=O)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 9481076 KNJUDVCKPLWVGZ-UHFFFAOYSA-N 310.353 4.111 0 40 DIAB CC(C)(C)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120049 AGRLHJNUVWCJEW-UHFFFAOYSA-N 308.381 4.403 0 40 DIAB O=C(NCCCc1ccccc1)C1(c2cccs2)CCCC1 12157572 MGYCRNDEIJAHAR-UHFFFAOYSA-N 313.466 4.309 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1 12821655 FGLNPDTXXLAWNM-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cl 13709888 FZUXRTYUZHOCNE-LLVKDONJSA-N 324.207 4.077 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3)n2)o1 14170403 QALFUCRKMUKAIJ-UHFFFAOYSA-N 312.394 4.015 0 40 DIAB Cc1ccc(F)cc1NC(=O)COc1cccc2ccccc12 15077952 MNYSZJAXARMPNZ-UHFFFAOYSA-N 309.340 4.305 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(F)cc1 15316427 KBHKXARFRTWEJS-NWDGAFQWSA-N 321.779 4.124 0 40 DIAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)ccc1F 29279271 ACJSYVLYXFJVIY-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CC(C)(NC(=O)[C@@H]1CC=CCC1)c1ccc(Br)cc1 32398972 YNXXTNUJVWCPGY-GFCCVEGCSA-N 322.246 4.157 0 40 DIAB O=C(Nc1nccs1)c1cccc2c3c([nH]c12)CCCCC3 32779856 ZWMXBKQCRXIMSZ-UHFFFAOYSA-N 311.410 4.146 0 40 DIAB c1ccc(C2=N[C@@H]3N=C(c4cccs4)S[C@@H]3S2)cc1 41097568 VQTDDZJWSUBKFQ-RISCZKNCSA-N 302.449 4.087 0 40 DIAB CCC(=O)Nc1nc(-c2ccncc2)c(-c2cccs2)s1 72342711 OWJCUXBUUYKCJS-UHFFFAOYSA-N 315.423 4.282 0 40 DIAB COc1cccc(CC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 75572610 WYPCZYYMVBHEBU-QGZVFWFLSA-N 317.454 4.203 0 40 DIAB CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1nccs1 83869858 AOMGBESPHNBYHF-JKSUJKDBSA-N 308.406 4.063 0 40 DIAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccsc1 85470971 IOTWHMLNODDKLN-UHFFFAOYSA-N 320.464 4.172 0 40 DIAB Cc1noc(C)c1CCN[C@@H](C)c1ccccc1C(F)(F)F 95422132 GFPHFTNCCLGADE-JTQLQIEISA-N 312.335 4.204 0 40 DIAB O=C(c1ccc(Cl)c(F)c1)c1c(F)c(F)c(F)c(F)c1F 95916254 IZXQVDGXOZUBNH-UHFFFAOYSA-N 324.607 4.406 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C(C)C)C=C[C@@]3(C)CC2)cc1 100849286 HRNXETQNTHIERV-SEONNTABSA-N 323.436 4.113 0 40 DIAB c1ccc(/N=c2/snc3scc(-c4ccccc4)n23)cc1 104284225 UCOCJRGGKDWTKJ-BMRADRMJSA-N 309.419 4.357 0 40 DIAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 118930013 AESDMFRTIWNVNV-VGQDLNPGSA-N 318.501 4.307 0 40 DIAB CCCNC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225644651 HWHWJWIAORXRJY-UHFFFAOYSA-N 324.424 4.004 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(C)cccc2[C@H](C)CC1(C)C 260616254 HMMYPVPBJDEJTK-GDBMZVCRSA-N 303.446 4.429 0 40 DIAB O=C(NCCCc1cc2ccccc2o1)c1ccccc1Cl 390830167 JEYOVNMDTSJKMG-UHFFFAOYSA-N 313.784 4.449 0 40 DIAB O=C(c1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008925 SEZJROGGXIBCPE-GJZGRUSLSA-N 303.352 4.068 0 40 DIAB CCOc1ccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 421246 NVVXYIAALHUVCE-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB CCCc1nc2sc3c(OC)ncnc3c2c2c1CCCC2 506348 VKDBUSRUWKPDKH-UHFFFAOYSA-N 313.426 4.079 0 40 DIAB CCc1ccc(-c2ccc(C(=O)Nc3cc(C)on3)cc2)cc1 1337677 ZSEZTEUDKYOLLY-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 1465339 YWDIFCNIQONCPE-UHFFFAOYSA-N 308.164 4.205 0 40 DIAB O=C(CCc1cccc(Br)c1)c1ccc(F)cc1 2516712 AZAZHHBUIXJGDC-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 4297028 GVQWVRPWSCZNPY-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB CSc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 4517607 QXIKBKLXRQBPRG-UHFFFAOYSA-N 306.456 4.415 0 40 DIAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Cl)cc1 4678515 QLOCDBLRMLMYSM-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB O=C(NCCc1ccccc1)c1ccccc1Oc1ccccc1 5557977 IPTOWQHKRYUHTQ-UHFFFAOYSA-N 317.388 4.451 0 40 DIAB CC(=O)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5654165 LUAFYBUQDCNGFX-UHFFFAOYSA-N 312.409 4.054 0 40 DIAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 6537392 HGBUQGRABBQXNZ-UHSVVUDUSA-N 301.405 4.219 0 40 DIAB N=C(N)S[C@@H]1c2ccccc2-c2ccc(Br)cc21 6582878 NQTNUAIGIMSAQY-CYBMUJFWSA-N 319.227 4.146 0 40 DIAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc2ccccc2c1 6601888 BPBNSFQBDGLZDO-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB Cc1ccc(Sc2ncccc2C(=O)NCc2ccco2)cc1 6835904 DWUHJDLTOMUVMS-UHFFFAOYSA-N 324.405 4.064 0 40 DIAB CCCC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9134907 GTPZWOIMRFOPPZ-UHFFFAOYSA-N 310.353 4.092 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1C 10995387 OEJOVTXAGWJLBT-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB Cc1cc(-c2cnc(NC3CCCC3)nc2-c2ccc(C)o2)on1 12186030 HSIPXKGUOGDBTM-UHFFFAOYSA-N 324.384 4.363 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 12555403 FJXDURMNLJSLDJ-WMZOPIPTSA-N 308.425 4.130 0 40 DIAB COc1ccc(CN(C(=O)Nc2ccccc2F)C2CC2)cc1 12767567 GUBWAYNLWCXHKE-UHFFFAOYSA-N 314.360 4.031 0 40 DIAB c1csc(-c2nc(CNc3ncnc4sccc34)co2)c1 12802045 FXUOQOZROPDMBY-UHFFFAOYSA-N 314.395 4.020 0 40 DIAB COc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 15973860 KCELIRRYXRQITP-UHFFFAOYSA-N 319.428 4.167 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccccc2C)c1 20457243 HVIFMJDZLXFFGR-KRWDZBQOSA-N 311.425 4.004 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 20493629 WXLBQJZFBQSIBG-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB Cc1ccc(COc2ccc(CNCc3ccco3)cc2)cc1 20873785 UKXYSWNRVSFVMZ-UHFFFAOYSA-N 307.393 4.457 0 40 DIAB C[C@@H](Nc1nccc(C(F)(F)F)n1)c1cc2ccccc2o1 24054637 YRFXAHQQSPDQDN-SECBINFHSA-N 307.275 4.415 0 40 DIAB Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1 27660722 SYXVAVXJOIYSNC-UHFFFAOYSA-N 301.802 4.417 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(Br)c1 40098520 DLIDTVGJDLCREU-LLVKDONJSA-N 311.223 4.021 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 44843379 BSINZAKPVPORIK-SJORKVTESA-N 311.425 4.257 0 40 DIAB CC(C)c1nnc(CNC(c2ccccc2)c2ccccc2)o1 60371435 JORHXDFBKIJIEE-UHFFFAOYSA-N 307.397 4.072 0 40 DIAB Cc1cc(CNC(=O)c2ccc[nH]2)ccc1Oc1ccc(F)cc1 63717814 CCMYOGCFBSOMNS-UHFFFAOYSA-N 324.355 4.185 0 40 DIAB O=C(NCC1CCCCCCC1)c1cc(-c2ccco2)on1 65731531 ZANPRUSSHBUJOS-UHFFFAOYSA-N 302.374 4.025 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCCCC2)c1 68955351 SRXAICZOBICYEB-OAHLLOKOSA-N 303.446 4.335 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(Cl)nc1 72211479 GUABYOQMVXCKPY-OAHLLOKOSA-N 300.789 4.102 0 40 DIAB CC(C)N1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214398 KIPOZSXTLANQLJ-OAHLLOKOSA-N 319.449 4.364 0 40 DIAB CCCCN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216066 OOEWFAJUYVNFQO-GOSISDBHSA-N 301.478 4.399 0 40 DIAB CCOc1ccc(O[C@H](C)c2nnc(-c3cccs3)o2)cc1 75092384 BEVKLAAAFAUDKV-LLVKDONJSA-N 316.382 4.337 0 40 DIAB Cc1nnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)s1 95984202 OEGKGLDVTGVQEB-ZETCQYMHSA-N 302.230 4.004 0 40 DIAB C/C(=C\C(=O)N(Cc1ccco1)c1ccc(F)cc1F)C1CC1 96298007 HGCNWZSMLCBFMB-FMIVXFBMSA-N 317.335 4.447 0 40 DIAB Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032836 UTVVKZYDGDZOTK-QFBILLFUSA-N 308.381 4.073 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)COc1ccccc1Cl)C2 103422882 HZUDWFYGQNPAEI-CDHAZOANSA-N 321.848 4.050 0 40 DIAB CCc1ccccc1C[C@@H](Sc1ccc(C)cc1)C(=O)O 225041257 NTSLUTVRTCGGOS-QGZVFWFLSA-N 300.423 4.345 0 40 DIAB Cc1ccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)on2)cc1C 225900661 RFBZVBMRABKYSL-UHFFFAOYSA-N 324.355 4.374 0 40 DIAB O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(F)c1 247806524 ZTQLUJFUTUBFHN-UHFFFAOYSA-N 307.752 4.277 0 40 DIAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccsc1 575618532 CCMZHDPIGRWFEH-UHFFFAOYSA-N 323.421 4.200 0 40 DIAB Cc1ccccc1C(=O)NC[C@@H](c1ccco1)c1cccs1 585146844 ZEGXVZLQCLBRRW-HNNXBMFYSA-N 311.406 4.211 0 40 DIAB OCc1cc(-c2ccccc2)nc2cccc(Br)c12 685937076 JPUOIRAPCSWHSD-UHFFFAOYSA-N 314.182 4.157 0 40 DIAB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1 1775970620 IDGJUXMHDZBCSE-IRXDYDNUSA-N 312.413 4.334 0 40 DIAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)N=C(O)CCN21 533604 TTXWBUDCDPULPR-MFUYTVRRSA-N 322.408 4.456 0 40 DIAB biogenic CC(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1 555563 MYEZQGDTFKAJHH-UHFFFAOYSA-N 310.422 4.134 0 40 DIAB COc1cccc(CSc2nnc(-c3cccs3)o2)c1 3449308 HCUCYMMZSICDNN-UHFFFAOYSA-N 304.396 4.099 0 40 DIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@H]1c1cccnc1 4000398 WLUPMYXUNVYLNP-SFHVURJKSA-N 323.371 4.069 0 40 DIAB biogenic CCOc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 4271853 WXZVEOMQTDKONI-UHFFFAOYSA-N 323.421 4.230 0 40 DIAB Nc1cccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1 4726058 RRVMMIGOODBROK-UHFFFAOYSA-N 313.360 4.043 0 40 DIAB C[n+]1ccc(/C=C\c2ccnc3c(O)cccc23)c2ccccc21 4830540 BMRAQNLODAALCM-UHFFFAOYSA-O 313.380 4.089 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1 5240394 CSFFWTXWQGTPNJ-UHFFFAOYSA-N 310.378 4.112 0 40 DIAB Cc1ccc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 5297435 ARPLAARTMRWUTQ-UHFFFAOYSA-N 318.298 4.246 0 40 DIAB CCN(Cn1nnc2ccccc21)c1cccc2ccccc12 5393356 YKUHURWBYQCCMN-UHFFFAOYSA-N 302.381 4.069 0 40 DIAB CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1C(=O)O 6963928 MNRISGKHJHMVII-VXLYETTFSA-N 317.772 4.496 0 40 DIAB O=C(CSCc1ccccc1Cl)Nc1cccc(F)c1 7094226 OVLZBGXLVVKGNE-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB O=C(NCCCn1ccc2ccccc21)c1cc2c(s1)CCC2 8231778 MNLJGJPZFKFQMZ-UHFFFAOYSA-N 324.449 4.012 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 8382860 OBIPQUOPKDGYHX-NSHDSACASA-N 321.829 4.468 0 40 DIAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1 8972974 UIXKXYGHZOJILO-UHFFFAOYSA-N 324.380 4.165 0 40 DIAB COc1cccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)c1 9447273 NIIPZCKAYDKZLC-UHFFFAOYSA-N 312.413 4.314 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@H]1CC=CCC1 12596363 OTTMXDFNIBYWCM-ZDUSSCGKSA-N 304.821 4.235 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccc(C)cc3)c(O)n2)cc1 16777201 JVLVWARPDPBJOQ-UHFFFAOYSA-N 323.421 4.153 0 40 DIAB COCc1cccc(NC(=O)CSCc2ccc(C)cc2)c1 29145097 AVQLYRXZKDMXMU-UHFFFAOYSA-N 315.438 4.013 0 40 DIAB CC[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1OC 31618112 ZTICWNLDLVGRBJ-LLVKDONJSA-N 309.818 4.291 0 40 DIAB c1ccc(-c2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 35403065 OJZMIPCQFVTJOG-UHFFFAOYSA-N 317.388 4.372 0 40 DIAB COc1cccc(CCCc2cccc(Cl)c2)c1C(=O)O 35973482 SHAGYUIMEHYOCE-UHFFFAOYSA-N 304.773 4.222 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(C)c1 40478315 HDSUWAXAODNXFT-UHFFFAOYSA-N 323.371 4.393 0 40 DIAB COC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 41080839 FRWHBEYYDRGEMZ-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB O=C(c1ccc(Br)cc1)c1ccc(Cl)c(F)c1 43210071 ZAAQNICBNUSUCK-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB CCSc1ccccc1NC(=O)N[C@@H](C)c1ccccn1 47856493 NCEYXOMLTHXBPV-LBPRGKRZSA-N 301.415 4.076 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc2ccccc12 69738682 XDSUANQVDATQPX-UHFFFAOYSA-N 307.397 4.486 0 40 DIAB CC(C)CNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72213303 NDTLPLUHICQJIR-IBGZPJMESA-N 309.457 4.487 0 40 DIAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)c1 72329132 WVOYKZKZFWUFQP-CYBMUJFWSA-N 323.371 4.015 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 78457955 MXJNMNGWTNGTBZ-HOTGVXAUSA-N 311.425 4.202 0 40 DIAB Clc1ccccc1-c1nnc(CSC[C@@H]2CCCCO2)o1 89821286 WDBIJJFRXNCXCH-NSHDSACASA-N 324.833 4.192 0 40 DIAB CCc1nc(C)c([C@H](C)N(C)Cc2ccc(COC)cc2)s1 93612447 MGVSDJHXFDPWCC-AWEZNQCLSA-N 318.486 4.353 0 40 DIAB OCc1ccc(CNc2cccc(COC3CCCCC3)c2)o1 95428837 QPEZHXDARAOPFY-UHFFFAOYSA-N 315.413 4.233 0 40 DIAB Cc1cccc(OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1C 100802447 DYMXMQXDGFPJLF-OXJNMPFZSA-N 315.457 4.109 0 40 DIAB CSc1ccccc1NC(=O)c1ccccc1OC(C)C 105940085 AHAJNXORQOYFBA-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C 113970411 OYMIVMCWXJCVQP-SFHVURJKSA-N 311.425 4.086 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2SC)cc1Cl 223312729 LTDGOZGTLADOAG-UHFFFAOYSA-N 307.802 4.323 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1=CCCCC1 224127627 NDZMPLIQTMRNIY-HNNXBMFYSA-N 315.457 4.368 0 40 DIAB COc1cc(-n2cccc2)ccc1-c1cc2ccccc2oc1=O 226280735 UWXXFRIAPITRBV-UHFFFAOYSA-N 317.344 4.259 0 40 DIAB CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)c2ccccc21 409109911 NSXBDISUTGUQGG-SSZFMOIBSA-N 323.392 4.088 0 40 DIAB CCCc1nn(-c2cc(Cl)ccc2OC)c2c1C(=O)CCC2 107087 JEDIBJWOEOQXHT-UHFFFAOYSA-N 318.804 4.006 0 40 DIAB COc1ccc(-c2nn(C(=O)C3CCCCC3)c(=S)o2)cc1 411238 QKIWGFLBRYKKNW-UHFFFAOYSA-N 318.398 4.102 0 40 DIAB CC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1 412367 JAPWWPOWPKHPPW-UHFFFAOYSA-N 316.832 4.488 0 40 DIAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccccc2)c1 3239502 LHMIRQCETJPRIL-UHFFFAOYSA-N 320.797 4.102 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 3561402 ZRGIWBMOHKKKLM-UHFFFAOYSA-N 309.287 4.143 0 40 DIAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccs1 4797227 GCNFCIYJCJBHOI-UHFFFAOYSA-N 315.419 4.216 0 40 DIAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@@H]2C1=O 4832697 QDUOONWQMKZMFZ-NBMJBFSESA-N 321.420 4.011 0 40 DIAB CC(C)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 5476430 PZABKEVCVWIQQD-UHFFFAOYSA-N 317.816 4.159 0 40 DIAB Cc1ccccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 5865943 MYUCXFYBFDIXJB-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB Cc1nc2sc3c(=S)nc[nH]c3c2c2c1COC(C)(C)C2 5925883 BQSOKWOQGUZCHB-UHFFFAOYSA-N 317.439 4.062 0 40 DIAB COc1cc(C)c(NC(=O)C[C@H](C)c2ccccc2)cc1OC 6258870 ZHTQMCLHMDOKJC-ZDUSSCGKSA-N 313.397 4.145 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 6652263 RVYXROHLOBFWSW-NSHDSACASA-N 323.314 4.205 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 7223226 URHMQCPDZUAEKS-LLVKDONJSA-N 306.768 4.227 0 40 DIAB Cc1cc(Br)ccc1NC(=O)/C=C/c1cccs1 7304595 DRWYXKAQLQNYFX-FNORWQNLSA-N 322.227 4.471 0 40 DIAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886333 JTJAYVQZHCTXOF-LJQANCHMSA-N 322.408 4.204 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1 8790789 UEERHDNKHKHZAN-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1csc(SCc2nc(-c3ccc(Cl)cc3)no2)n1 9112549 WMNGYFVLADRESI-UHFFFAOYSA-N 323.830 4.447 0 40 DIAB C[C@H]1CCc2noc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1 11914807 WSKIRHNNIJZIJT-LBPRGKRZSA-N 312.413 4.349 0 40 DIAB Cc1cc(C)c2[nH]c(=O)c(CNc3cccc(C)c3C)cc2c1 12493014 ORXXZNOMTQCFKO-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB O=C(NCc1ccccc1F)c1ccccc1SC(F)F 12767900 BMNKHPWSDTYZFF-UHFFFAOYSA-N 311.328 4.070 0 40 DIAB CC(=O)OCCCC[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 13424919 RTYPTTJEBODVCN-MKXGPGLRSA-N 306.446 4.404 0 40 DIAB biogenic C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCC1 13708428 CRZFBBFHQHDLJK-HNNXBMFYSA-N 311.425 4.446 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCC(C)CC1 20456156 QROYNWGTOGUXPD-SFHVURJKSA-N 311.425 4.256 0 40 DIAB Fc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 25360087 BIEJCKPRPLZKDE-QGZVFWFLSA-N 323.371 4.213 0 40 DIAB CCCc1nc(CSc2nnc(-c3cccs3)o2)cs1 40500938 CRIFQODOYDNSGD-UHFFFAOYSA-N 323.468 4.499 0 40 DIAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4)C3)o2)cc1 49169883 NLRYVCGWIZWKOS-SFHVURJKSA-N 319.408 4.035 0 40 DIAB biogenic,in-vitro COc1ccccc1[C@@H]1SC(C)=Nc2c1c(O)nn2C(C)C 71284947 CFCUTGIXEBZEQF-AWEZNQCLSA-N 317.414 4.064 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n2c1 71459251 WHOGHFFGPVIPSB-UHFFFAOYSA-N 313.788 4.165 0 40 DIAB Cn1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 78648440 GYOIYPWNSSUJIV-UHFFFAOYSA-N 323.240 4.070 0 40 DIAB O[C@H](CN[C@@H](c1ccccc1)C1CCCCC1)c1ccncc1 95462855 IBEIWNMJNNKDNT-UXHICEINSA-N 310.441 4.026 0 40 DIAB Fc1cc(CNc2ccc(-c3ccccn3)cn2)cc(F)c1F 95945591 CFXOVEYSVWTZEU-UHFFFAOYSA-N 315.298 4.173 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100834889 DXAQHGWMQKWEDY-KRWDZBQOSA-N 322.799 4.296 0 40 DIAB C[C@@H]1CC(C)(C)OB(OCCc2ccc(Cl)cc2Cl)O1 195792489 ZIRVUORDTZXFKK-SNVBAGLBSA-N 317.021 4.141 0 40 DIAB CCc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1 223516340 RUAJMBQVERZQIQ-UHFFFAOYSA-N 322.235 4.415 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc1C 224754721 MQXHKVLYPZISPS-OAHLLOKOSA-N 311.425 4.447 0 40 DIAB COc1cccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225100581 GBQYMZRALDEWCY-OAHLLOKOSA-N 322.813 4.137 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1 225869079 CLHJWICCQQBEIP-HXUWFJFHSA-N 323.436 4.039 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1cccs1 253473180 SIBHMUCVVOGQJC-XEHSLEBBSA-N 311.406 4.255 0 40 DIAB CSc1ncc(/C=C/C(=O)Nc2ccc3ccccc3c2)cn1 408534292 UXKPDMCBLFLWED-RMKNXTFCSA-N 321.405 4.004 0 40 DIAB C[C@H](C(=O)O)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 953109654 XDZXXZVCXUTECU-RWMBFGLXSA-N 301.361 4.368 0 40 DIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 74883 VRDANHAKTWLUCX-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccccc2OC)c(C)c1 344738 KEGOFNSVFASHME-UHFFFAOYSA-N 312.413 4.102 0 40 DIAB Cc1ccccc1-n1c(-c2ccccc2)nc2ccccc2c1=O 520030 HYKGXFNKWBLRFH-UHFFFAOYSA-N 312.372 4.361 0 40 DIAB Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H]3CCCC[C@H]3C)c2c1 920312 FXYHQLKBLFSUQI-FZKQIMNGSA-N 310.441 4.469 0 40 DIAB CC(C)(C)N1C(=O)CC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 1387209 XJTJCAOHEOEUQZ-CYBMUJFWSA-N 314.212 4.025 0 40 DIAB Fc1cccc(Cn2c(-c3cncs3)nc3ccccc32)c1 1423860 PNUQOUJSFUSHAH-UHFFFAOYSA-N 309.369 4.347 0 40 DIAB CCO[C@@H](C)c1ccc(OC(=O)c2ccccc2)c(OC)c1 2044990 JERHFVJGLUPWOC-ZDUSSCGKSA-N 300.354 4.012 0 40 DIAB Cc1cccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c1 2116879 RKVGHQATDQDRAN-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCC1 2515635 PHYPGJMIRFCBJB-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB OC(c1cccs1)(c1cccs1)C(F)(F)C(F)(F)F 2528687 DGHHMRHZLIKELM-UHFFFAOYSA-N 314.300 4.243 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)cc1 2661139 GDXUPLDLMWWREH-CQSZACIVSA-N 300.427 4.074 0 40 DIAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1 2961306 LAUHYJXIRLADBR-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB c1ccc(-c2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 3360116 ZHAPWJMNWGTPSB-UHFFFAOYSA-N 314.348 4.122 0 40 DIAB CCCC(=O)N(CC(C)C)c1nnc(-c2ccc(C)cc2)s1 4880626 WSNJLYRHUBMPNC-UHFFFAOYSA-N 317.458 4.303 0 40 DIAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 6510571 RAZQIUFWQXXUTL-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 6747334 GQRYBAUDFKROJW-UHFFFAOYSA-N 315.756 4.369 0 40 DIAB O=C(Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 7705609 CPKZXKRADUDPEF-UHFFFAOYSA-N 305.381 4.404 0 40 DIAB Cc1cc(NC[C@@H](c2ccccc2)N(C)C)nc2ccccc12 7735873 AJLYMXUBVHRIBI-IBGZPJMESA-N 305.425 4.258 0 40 DIAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Cl 8553293 UZHMQBMKYWOFAJ-MJBXVCDLSA-N 309.837 4.148 0 40 DIAB CC(C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 8750052 VCRDPXJMWGXKFY-INIZCTEOSA-N 304.340 4.484 0 40 DIAB C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2ccccc2s1 12807399 NMCVZTKZPJQPLS-CQSZACIVSA-N 324.449 4.449 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC 14240379 JYHQGQJHCCDEIO-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 15977032 BVORCIHNUAECJR-UHFFFAOYSA-N 307.315 4.198 0 40 DIAB c1ccc(CNC[C@@H](NCc2ccccc2)c2ccccc2)cc1 19366597 PMEZXKXUCLALIY-JOCHJYFZSA-N 316.448 4.307 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1 20455842 YGAGTWZOPHAKBZ-HNNXBMFYSA-N 303.446 4.245 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCCC2)c(F)c1 21577902 HJSWINDPTZNKOP-FMIVXFBMSA-N 324.399 4.468 0 40 DIAB O=C(CCCOc1ccccc1)Nc1cccc(Cl)c1F 24019982 UNVKZIUTXXONQT-UHFFFAOYSA-N 307.752 4.277 0 40 DIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1F 27878045 QCYHHSPGZFKKMR-ZYHUDNBSSA-N 323.717 4.330 0 40 DIAB Cc1ccc(CC(=O)Nc2cccc(CN3CCCCC3)c2)cc1 31620695 DJEMSMWMHIPISE-UHFFFAOYSA-N 322.452 4.162 0 40 DIAB C[C@H]1C[C@H](C)CN(C2=CC(=[N+]3CCCCC3)CC(C)(C)C2)C1 33402442 DMCMMNOYIPXYFH-IRXDYDNUSA-N 303.514 4.306 0 40 DIAB O=C(c1ccc(Br)cc1)c1cc(Cl)ccc1F 36941750 AUGFVSTUMJMRKO-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB COC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 41080901 YCVNSHPTHUTBIV-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB Fc1ccccc1OCc1noc(-c2ccc(Cl)cc2)n1 44656619 PFVKJCPLHNTVRI-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)n[nH]2)cc1 44839119 QQXRKZGZXDSTRO-CYBMUJFWSA-N 323.371 4.015 0 40 DIAB COc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F 44844941 OBDLEYKZUNSEOU-UHFFFAOYSA-N 310.275 4.358 0 40 DIAB COc1cc(-c2ccccc2)sc1C(=O)Nc1nccs1 48180570 NOVYDZXKUMNDEG-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)o1 53641486 XKAZFTJZCYICTH-WFASDCNBSA-N 308.381 4.157 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C 71872189 OEVGNJQSYVEFCE-KSSFIOAISA-N 324.424 4.220 0 40 DIAB Cc1cc(NCc2ccccc2)ncc1[C@H](O)c1ccccc1 72223372 KEIMLVXMOAJWBU-HXUWFJFHSA-N 304.393 4.084 0 40 DIAB COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1F 90600195 ZKJZTIHFXHTYHH-CQSZACIVSA-N 317.360 4.185 0 40 DIAB c1ncc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)s1 95425764 AYXMSGCWGSLFMS-UHFFFAOYSA-N 322.433 4.035 0 40 DIAB CC[C@H](c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1 95977325 ZBDNWQRPKLKPTK-QGZVFWFLSA-N 307.397 4.320 0 40 DIAB COc1ccc([C@@H]2OC3=Nc4cc(C)c(C)cc4NC3=C2O)cc1 100368210 MYNYGRCFWOTNKY-SFHVURJKSA-N 322.364 4.309 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)Cc2c[nH]c3ccccc23)C1 100787887 ZZVHFDYCBPKARA-QRWLVFNGSA-N 310.441 4.138 0 40 DIAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1C 222879519 DXTSHNCNXZAHSL-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccccc1Cl 224290657 QYIGQXPQBNJHJX-KBPBESRZSA-N 311.853 4.440 0 40 DIAB COc1ccc([C@H](O)c2ccc3c(c2)oc2ccccc23)cc1N 226297166 ZMSPJVVDNASVFE-FQEVSTJZSA-N 319.360 4.259 0 40 DIAB CCn1c(O)c2c(nc1=S)-c1ccccc1C[C@]2(C)CC 253496363 BIWMXLJGOWAPFQ-KRWDZBQOSA-N 300.427 4.229 0 40 DIAB O=C(Nc1nnc(C2CCCC2)s1)c1ccccc1Cl 412257 KHSBAQFTNVMXLG-UHFFFAOYSA-N 307.806 4.101 0 40 DIAB CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(OC)cc1OC 1780404 ZTQMLVAJNYSFOY-PABFRNLHSA-N 319.445 4.050 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(F)cc2)cc1 2069608 LYOITDVDTNFIDH-UHFFFAOYSA-N 316.328 4.002 0 40 DIAB CCCCc1c(C)nc2ccc(C)cc2c1SCC(=O)O 2280858 BGAPXLBVKGXGLH-UHFFFAOYSA-N 303.427 4.371 0 40 DIAB O=C(OCc1csc(-c2ccccc2)n1)c1cccc(F)c1 3322757 DWVPLCIOOCFDRX-UHFFFAOYSA-N 313.353 4.306 0 40 DIAB CSc1ccc(COC(=O)Cc2c[nH]c3ccccc23)cc1 3357522 RUNNIPHXTZOXAK-UHFFFAOYSA-N 311.406 4.176 0 40 DIAB O=C(/C=C/c1ccccc1)NCCOc1cccc2ccccc12 5870024 NFXBNXFMEMJSEV-BUHFOSPRSA-N 317.388 4.048 0 40 DIAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2ccccc2c1 6244290 MQYSWVPPKNUVIE-UHFFFAOYSA-N 305.421 4.394 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 6931781 LMYVAROJJMXIBY-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB Cc1cc2nc(N[C@H](C)c3ccccc3)c3ccccc3n2n1 7778725 CDTRCQAWDLDIBE-CQSZACIVSA-N 302.381 4.364 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F 8222043 NIURSQSMXKJRPS-PWSUYJOCSA-N 300.324 4.406 0 40 DIAB O=C(CCc1ccsc1)N[C@@H]1CCSc2ccccc21 8395216 COHXXWHSVZHQPI-CQSZACIVSA-N 303.452 4.034 0 40 DIAB Cc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 9141403 FWMYWLWYAUDGRL-UHFFFAOYSA-N 322.412 4.022 0 40 DIAB COc1ccccc1CSCC(=O)Nc1ccc(Cl)cc1 9752462 PJDSTZWAFSGWET-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB O=C(Nc1cccc2c1CCCC2)[C@@H]1Cc2ccccc2S1 11430061 HCCROLYHGWUZDR-SFHVURJKSA-N 309.434 4.221 0 40 DIAB CCN(C(=O)Cc1ccccc1C)c1nc2ccccc2s1 12795335 RHYRPVOQMPTCSW-UHFFFAOYSA-N 310.422 4.200 0 40 DIAB O=C(CCc1ccccc1)N[C@@H]1CCSc2c(F)cccc21 12986167 MFPBJXMWANGXGO-MRXNPFEDSA-N 315.413 4.112 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 14006547 ATAHQTAPVQLOPG-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 14022711 FNVRLYNVIZIEMV-KRWDZBQOSA-N 313.397 4.190 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl 15581977 LFUVAZKHEPGCPV-UHFFFAOYSA-N 316.763 4.381 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20037963 OBHLQLRENPLITF-KBPBESRZSA-N 317.816 4.293 0 40 DIAB CCCCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20160539 CSZVONQBOUQXAJ-UHFFFAOYSA-N 322.360 4.417 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)s1 21589531 JCICXRJIUMYVSU-UHFFFAOYSA-N 316.407 4.121 0 40 DIAB COCc1cccc(NC(=O)CCSc2ccc(C)cc2)c1 29143683 XJUTZJWKYIPTCO-UHFFFAOYSA-N 315.438 4.262 0 40 DIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C2CC2)on1 30314807 RXBXZEPKTMCTOM-JTQLQIEISA-N 304.777 4.039 0 40 DIAB CCCCOCN(COCCCC)[C@H](C)Cc1ccccc1 31760790 IFGOUIMVKGBGOT-GOSISDBHSA-N 307.478 4.468 0 40 DIAB Cc1cc(C)c2sc(NC(=O)c3cc(C)oc3C)nc2c1 36695490 IERMWZVSPUERBI-UHFFFAOYSA-N 300.383 4.375 0 40 DIAB Fc1ccc(OCCCSc2nnc(-c3ccco3)o2)cc1 40033980 BXBDERKWNHBQMJ-UHFFFAOYSA-N 320.345 4.030 0 40 DIAB Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2cc(C)no2)c(C)c1 47323638 WXZNTENEIGSMND-HNNXBMFYSA-N 313.401 4.277 0 40 DIAB CCCCO[C@@H](C)C(=O)Nc1nc2ccc(CC)cc2s1 62581900 WWSWPPTWESAYTF-NSHDSACASA-N 306.431 4.002 0 40 DIAB Nc1nc(Sc2nc3ccccc3s2)nc2sccc12 65537200 SCAKFOBZMYNNAR-UHFFFAOYSA-N 316.436 4.034 0 40 DIAB Cc1ccccc1OCCCC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 72303341 GKZLFHJDXVHBRW-DYESRHJHSA-N 323.436 4.374 0 40 DIAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1cccs1)C3 72396345 GGLIXSRYGIYKIP-UHFFFAOYSA-N 324.405 4.373 0 40 DIAB N=c1oc2ccccc2cc1C(=O)Nc1ccc2ccccc2c1 72408173 JNTADFNONGLZGG-UHFFFAOYSA-N 314.344 4.318 0 40 DIAB CC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 74314328 QDJMNZVODBOEMT-UHFFFAOYSA-N 324.302 4.156 0 40 DIAB Cc1csc(C2(NC(=O)[C@@H](C)c3cccs3)CCCC2)n1 78121235 MXSUCWUHOGPFIO-LBPRGKRZSA-N 320.483 4.202 0 40 DIAB CCO[C@H](C)c1scc(Br)c1Br 85390788 KQGDVSKQLJVOJZ-RXMQYKEDSA-N 314.042 4.371 0 40 DIAB Fc1cccc(F)c1CN(Cc1ccncc1)C1CCCC1 89768117 STRCOOUPHUUECT-UHFFFAOYSA-N 302.368 4.305 0 40 DIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC4CCCC4)n3)cc21 100651021 IXJSLACGEROMPG-SNVBAGLBSA-N 313.426 4.220 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118933370 XAECMTJMUAHJFL-UPYZFMFOSA-N 306.490 4.141 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NC(C)(C)CC(C)(C)C 224290298 RGHUXHDFYDTJMQ-LBPRGKRZSA-N 311.853 4.438 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225613474 KCBMMMPUCJQAIE-GOSISDBHSA-N 307.434 4.234 0 40 DIAB CCCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCCC1 225658173 NVUMIHUJWQSBBD-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB CCSc1ccccc1NC(=O)Nc1ccccc1OC 225767836 CQNBKZQZSUTGQR-UHFFFAOYSA-N 302.399 4.451 0 40 DIAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)c1 226254288 NKMMDQASZIFFOJ-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB CCOc1ccc2[nH]c3c(NCc4ccccc4)ncnc3c2c1 540859 CYPTXPZZOHRRQB-UHFFFAOYSA-N 318.380 4.122 0 40 DIAB CCCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 1632290 MFMWSGVAGFFPLR-UHFFFAOYSA-N 315.413 4.277 0 40 DIAB CCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1Cl 2052120 OFFPQKKUHDZTRX-UHFFFAOYSA-N 319.257 4.387 0 40 DIAB COc1ccc2c(CNc3cccc(C)c3C)cc(=O)oc2c1 2120006 GBOAIQFJHILTGI-UHFFFAOYSA-N 309.365 4.031 0 40 DIAB biogenic COc1ccccc1CCC(=O)c1ccc(Br)cc1 2516456 IMZGGKWXPUBTIE-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB Fc1ccccc1-c1c[n+](-c2ccccc2)c2n1CCCS2 3229495 DPXCADZIPUVLBK-UHFFFAOYSA-N 311.405 4.067 0 40 DIAB O=C(CSc1ccccc1)Nc1ccc(C(F)(F)F)cc1 3383335 YIOZTAPMOANFFV-UHFFFAOYSA-N 311.328 4.436 0 40 DIAB C/C1=C\CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2/C=C(\C)CC1 4028495 BYFVAWVWHDPHGP-WKDRVVKDSA-N 317.473 4.097 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4073944 QGKQXZFZOIQFBI-NTIOTCMSSA-N 306.490 4.141 0 40 DIAB biogenic Cc1cc2nc3n(c2cc1C)[C@H](O)C=C(c1ccccc1)S3 4502758 XXZIBERAAKONHZ-QGZVFWFLSA-N 308.406 4.291 0 40 DIAB Cc1c(Cl)ccc(Oc2nc3ccccc3n3cnnc23)c1C 5354574 VBJGEYDKXULOLL-UHFFFAOYSA-N 324.771 4.340 0 40 DIAB CCCSc1nnc(-c2cccnc2)n1-c1ccccc1C 6318231 IRCVJQNDNHCUHJ-UHFFFAOYSA-N 310.426 4.140 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl 6451814 BFUCHASKHAUGJK-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncccn1 6913101 QUTMTVJYOPEAKY-OLZOCXBDSA-N 315.442 4.109 0 40 DIAB CCOc1cc(CNCc2cccs2)cc(Cl)c1OC 8253690 YJQRVAPLYONYOO-UHFFFAOYSA-N 311.834 4.099 0 40 DIAB COc1cccc(C=O)c1Nc1ccc(Br)c(C)c1 8703696 HGOXEVIGUFYGJN-UHFFFAOYSA-N 320.186 4.322 0 40 DIAB Cc1ccc(-n2ccnc(SCc3cccc(C)c3)c2=O)cc1 9320411 UAWXWVWEHYSANO-UHFFFAOYSA-N 322.433 4.142 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 12770820 HTDNUBZIWBEVFT-CXGCFGFRSA-N 311.381 4.372 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](C)c1ccccc1 12939669 WNPLEZVMEFFDEC-KGLIPLIRSA-N 317.816 4.027 0 40 DIAB O=C1Nc2ccc(Br)cc2/C1=C/c1cccc(F)c1 15016071 INPIWACJCYCKEU-QPEQYQDCSA-N 318.145 4.081 0 40 DIAB Cc1ccccc1C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 17207655 NCFCRUBLUSWMFW-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB C[C@H](CC(=O)Nc1cccc(-c2ccc(F)cc2)c1)n1cccn1 19658458 BJVLDJOCQOXWKL-CQSZACIVSA-N 323.371 4.279 0 40 DIAB C[C@H]1CCc2ccccc2N1Cc1nc(-c2cccs2)no1 21581591 KJOALMACBACRSU-LBPRGKRZSA-N 311.410 4.139 0 40 DIAB COc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 22390173 IOLCGPUDTDBFJT-UHFFFAOYSA-N 311.312 4.347 0 40 DIAB COCc1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 25334948 LOGLFKHDGJVIHF-UHFFFAOYSA-N 321.376 4.247 0 40 DIAB Cc1ccc(-n2ccnc2S[C@@H]2CCCCC2=O)c(C)c1 26035252 CDNILZYATPUODO-MRXNPFEDSA-N 300.427 4.093 0 40 DIAB O=C(NCC1CC1)c1ccc(-c2nc3ccccc3s2)s1 26203020 HEFNIKJKQDSHDN-UHFFFAOYSA-N 314.435 4.165 0 40 DIAB O=C1CCN=C(c2ccccc2Cl)c2cc(Cl)ccc21 26898288 UHNROOUVTRJBHP-UHFFFAOYSA-N 304.176 4.417 0 40 DIAB COCc1cccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)c1 28371734 RTFOXZPCVAJXIA-ZDUSSCGKSA-N 309.369 4.056 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 29239899 LTZHHLFGHYSWAG-NSHDSACASA-N 323.314 4.205 0 40 DIAB Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1ccccc1 30755607 OEAHPPJFAHWDIK-QFIPXVFZSA-N 315.416 4.443 0 40 DIAB CCCc1cc(C(=O)Oc2ccc(NC(C)=O)cc2)sc1C 32988075 HRHXENNJBNXSFN-UHFFFAOYSA-N 317.410 4.187 0 40 DIAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccco3)o2)cc1 39538312 UYTALKFCNJDVOP-CQSZACIVSA-N 324.380 4.053 0 40 DIAB CC(C)Oc1ccc(CNC(=S)Nc2ccccc2F)cc1 45709074 OGMGITNGVPCXDB-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CCCc1nc(CN2Cc3ccccc3-c3ccccc3C2)no1 60361232 HJNSONVFLOQHQL-UHFFFAOYSA-N 319.408 4.205 0 40 DIAB O=C(Nc1ccn(-c2ccccc2)n1)c1sccc1C1CC1 67144073 XISOWRFKZXCAAM-UHFFFAOYSA-N 309.394 4.064 0 40 DIAB CCCNc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72213171 MSQLVEZZFXNOMP-GOSISDBHSA-N 323.440 4.271 0 40 DIAB CCOc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)o1 72346506 XYLROODHYGTBOA-UHFFFAOYSA-N 317.360 4.017 0 40 DIAB CC(C)C[C@@H]1SCC(O)=Nc2c1cnn2-c1ccccc1F 79484263 LZWPHQMYKIIWHI-AWEZNQCLSA-N 319.405 4.433 0 40 DIAB CN(C)c1c(Cl)cccc1NC(=O)NC1CCCCCC1 83852380 ZCHWCRQENYONAU-UHFFFAOYSA-N 309.841 4.250 0 40 DIAB C[C@@H]1CSC(SCCOc2ccc(F)cc2Cl)=N1 93904830 QXHCOZBSXBGWLA-MRVPVSSYSA-N 305.827 4.082 0 40 DIAB CC(C)(C)Oc1ccc(C(=O)C2=C(C(=O)O)CCCC2)cc1 95633969 YMPRCQLLBRJONU-UHFFFAOYSA-N 302.370 4.002 0 40 DIAB COc1ccc(CNc2ccncc2F)cc1OCCC(C)C 97101134 PNLHKAQCTBKLQY-UHFFFAOYSA-N 318.392 4.266 0 40 DIAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1 102729400 OCZCJYXEFOMHMI-MRXNPFEDSA-N 310.353 4.206 0 40 DIAB COC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3)oc12 167076346 XTMWQFOPYAHYJF-UHFFFAOYSA-N 321.254 4.300 0 40 DIAB CC(C)(Br)[Si](C)(C)C(C)(C)Br 195816177 YSQFNOLSKLSIHZ-UHFFFAOYSA-N 302.126 4.120 0 40 DIAB in-vitro Fc1ccccc1NC(=S)NCCSC1CCCCC1 225357073 YHIMHRZLHCWWAY-UHFFFAOYSA-N 312.479 4.178 0 40 DIAB Cc1ccc(NC(=S)Nc2nnc(SC(C)C)s2)cc1 225456669 UWJHPPOUENFDEE-UHFFFAOYSA-N 324.500 4.156 0 40 DIAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225605684 PQQHSSPCBLGMLK-LJQANCHMSA-N 319.445 4.398 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225613040 DJFIWACDZCPQIB-SFHVURJKSA-N 307.434 4.174 0 40 DIAB Oc1nc2c(Br)cccc2c(O)c1-c1ccccc1 685937066 ILVCXTGXGHJLLR-UHFFFAOYSA-N 316.154 4.076 0 40 DIAB CSc1nc(Cl)c2c3c(sc2n1)CO[C@H](C(C)C)C3 521167 WPSFDDOLRVVJIT-QMMMGPOBSA-N 314.863 4.164 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc3nc(C)sc3c2)cc1 803406 RQYXWIGKXBCAIQ-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB O=C(O)c1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1 1689894 LJKVUQCHMQCWEX-UHFFFAOYSA-N 310.736 4.422 0 40 DIAB Clc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 1737379 YVPLGXYVQWMJHS-UHFFFAOYSA-N 307.224 4.320 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 2658947 DZVQXXMUMDMNND-GFCCVEGCSA-N 321.323 4.002 0 40 DIAB Cc1csc(NC(=O)CCCOc2ccc(Cl)cc2C)n1 2790719 RWCRGSQHKFTVNL-UHFFFAOYSA-N 324.833 4.211 0 40 DIAB FC(F)(F)c1cnc(CSc2ccccn2)c(Cl)c1 3125434 MYWZUOGQYFDJGY-UHFFFAOYSA-N 304.724 4.441 0 40 DIAB Cc1noc(C)c1COC(=O)c1ccc(-c2ccccc2)cc1 3317395 UHDVGQWWGSPOKG-UHFFFAOYSA-N 307.349 4.315 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 3566968 FLGYPVWAMBRAJU-CYBMUJFWSA-N 309.837 4.336 0 40 DIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1 4072167 PGKLCMZSARQIKX-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB Cc1ccccc1CN1CCC(c2nc3ccccc3[nH]2)CC1 4315203 REOZKCMBURHRGF-UHFFFAOYSA-N 305.425 4.251 0 40 DIAB CCC(CC)c1nnc(NC(=S)Nc2ccccc2)s1 5375144 WMMYWDFRMSORCC-UHFFFAOYSA-N 306.460 4.251 0 40 DIAB CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 5443042 WLUJQXSSWLLFKN-UHFFFAOYSA-N 310.397 4.329 0 40 DIAB CCCCCCOC(=O)O[C@H](C)C(=O)OCCCCCC 5524016 WJYVFPIAUQHPIY-CQSZACIVSA-N 302.411 4.232 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 5699784 ZKHWJEKLAPXDQT-NSHDSACASA-N 309.287 4.111 0 40 DIAB CCOc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 6846376 VAJVGKREZORLMY-UHFFFAOYSA-N 311.168 4.039 0 40 DIAB c1ccc(-c2noc(CCCCc3nc4ccccc4[nH]3)n2)cc1 9421576 LBLIFGSAMAJTFG-UHFFFAOYSA-N 318.380 4.178 0 40 DIAB Cc1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1F 12487040 WAKXZPVEUNVBEX-UHFFFAOYSA-N 307.368 4.146 0 40 DIAB CC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12749157 XUDCXIKIKQJSNN-LBPRGKRZSA-N 315.800 4.099 0 40 DIAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 12892236 LWRRCNJPEFWMPU-QGZVFWFLSA-N 315.800 4.230 0 40 DIAB COc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 12901688 TUQVUDHEPSKTOG-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB Cc1nc2ccccc2nc1-c1nnc(-c2ccccc2)s1 16265711 QRDWXMZNPAMHKJ-UHFFFAOYSA-N 304.378 4.124 0 40 DIAB CCCCn1c(=N)n(CCCOc2ccccc2)c2ccccc21 19901277 DOXVYZDECSYGAG-UHFFFAOYSA-N 323.440 4.191 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2ccccc2C1 22534787 RHCWGSRVTCACMP-LJQANCHMSA-N 323.436 4.046 0 40 DIAB Cc1cccc(NC(=O)c2ccccc2Nc2ccccc2)n1 27655671 SCLZRXMQKKHRPX-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1 30755044 YETHRKAZYWUIEI-LJQANCHMSA-N 311.425 4.422 0 40 DIAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1 32891496 ZUHIDEIKCJBMLJ-UHFFFAOYSA-N 314.816 4.188 0 40 DIAB O=C1CCc2ccc(OCc3cccc(C(F)(F)F)c3)cc21 36708212 VOJARBUENDIRHX-UHFFFAOYSA-N 306.283 4.413 0 40 DIAB COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)cc1 38566783 IYOQVSBHUOEHKB-QGZVFWFLSA-N 324.424 4.333 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc2cnccc12 47325379 QBEKZAVNSVRPLJ-UHFFFAOYSA-N 323.400 4.273 0 40 DIAB N[C@@H](c1ccc(Cl)cc1)c1cccc(OC(F)(F)F)c1 61703478 JNFAIWNLYMWALH-ZDUSSCGKSA-N 301.695 4.287 0 40 DIAB Cc1nn(C(C)C)c(C)c1-c1cc(C)c2cc3c(cc2n1)OCO3 63890819 PXKGYRSQECGIOV-UHFFFAOYSA-N 323.396 4.333 0 40 DIAB Cc1cc(N[C@H](c2ccncc2)C(C)C)nc(-c2ccccn2)n1 72948248 QDLZIYGIGZUQHV-SFHVURJKSA-N 319.412 4.051 0 40 DIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc(Cl)o1 75584136 HYSFGDFNUPDSTF-ZDUSSCGKSA-N 307.825 4.052 0 40 DIAB CN(C(=O)Nc1ccccc1N1CCCC1)C1CCCCC1 76035473 KPBFOCXFTSKIPD-UHFFFAOYSA-N 301.434 4.083 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1 84923915 NNTFSKVPDHOQGX-QRQLOZEOSA-N 319.404 4.068 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 107327361 FCYFMXXFYWMBRG-YXWQFLTLSA-N 303.471 4.410 0 40 DIAB C[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]21 118915094 OTTDRBNUMLADAX-LAWZCJHDSA-N 304.474 4.205 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1 223245469 QOODTYAHTGIXIH-MRXNPFEDSA-N 323.436 4.048 0 40 DIAB O=C(COc1cccc2c1CCCC2)Nc1cccc(Cl)c1 224449170 KCJNDMYTFZMGJQ-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 361798 WGUWVEMSOUZTMA-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1cnc2ccccc2c1 1513882 GDHUUDNAERFDBZ-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB O=C(COc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 1677450 DEDMGYGTCWQTNW-UHFFFAOYSA-N 311.164 4.116 0 40 DIAB CCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 1875035 IFXSWZPWTFRKBS-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CCOc1ccccc1C(=O)CCCCC1OCC(C)(C)CO1 2518104 UKJNKIHKNANWTN-UHFFFAOYSA-N 320.429 4.228 0 40 DIAB Cc1ccc(Cn2ccc(=O)c(OCc3ccccc3)c2C)cc1 3128603 ZEHUVZVGWJFFPC-UHFFFAOYSA-N 319.404 4.092 0 40 DIAB Cc1ccc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)cc1 3338292 QMDBIVYFVYHCQJ-LJQANCHMSA-N 308.425 4.207 0 40 DIAB CCOc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 3472720 MJKGNMMUUBVHME-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB C[C@H]1CC[C@@](C)(C(=O)CNC(=S)Nc2ccccc2)C1(C)C 3846117 QTDFEDDXQLVCNA-UGSOOPFHSA-N 318.486 4.005 0 40 DIAB biogenic Cc1ccc2oc(-c3cc(NC(=O)C(C)C)cc(C)c3O)nc2c1 4988496 NEIIZMZXNUDOOB-UHFFFAOYSA-N 324.380 4.412 0 40 DIAB COc1cc(C(F)(F)F)nc(Oc2ccc3ccccc3c2)n1 5744011 HDNXSTKHFSEYFO-UHFFFAOYSA-N 320.270 4.450 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)c1ccc(OC(F)F)cc1 6387272 QWZPPMQQIHVKAX-UHFFFAOYSA-N 315.678 4.333 0 40 DIAB CCc1cccc(C)c1NC(=O)Cn1c(CC)nc2ccccc21 8165859 ZXGDMYFAAFDDHC-UHFFFAOYSA-N 321.424 4.108 0 40 DIAB CCOc1cc(C=O)c(Sc2ccccc2)cc1OCC 8729767 FJZSBIDDGMRWRQ-UHFFFAOYSA-N 302.395 4.448 0 40 DIAB CCc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1 9546543 YQRAOMVESZCIHP-MRXNPFEDSA-N 317.392 4.113 0 40 DIAB CCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120354 IKMFFCGBCWDVQL-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1cccs1 10512178 ZETQQHSTRIGHKF-UHFFFAOYSA-N 321.448 4.277 0 40 DIAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1 11692484 JRNGOWRXVZESGX-LJQANCHMSA-N 324.424 4.257 0 40 DIAB Fc1cccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)c1F 12234087 RYAFKNKRHGIZSS-INIZCTEOSA-N 313.351 4.178 0 40 DIAB O=C(NCc1nc2ccccc2s1)[C@@H]1CCCc2ccccc21 13019182 UXPRVQHSCOVOBU-OAHLLOKOSA-N 322.433 4.033 0 40 DIAB Cc1cc2nc(-c3cccc(N)c3)oc2c(Br)c1C 20156846 QSGZHYYFZDZHNT-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 24958707 AVXVVTIZXNIKQV-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)s1 26749383 UFMHZZPUICZKCB-GHMZBOCLSA-N 313.850 4.059 0 40 DIAB Cc1cccc(-c2nc(CSc3nc4ccccc4[nH]3)no2)c1 32321829 HLLIKXZBGSOAPU-UHFFFAOYSA-N 322.393 4.214 0 40 DIAB O=C(CCc1ccccc1)NC1CCC(c2ccccc2)CC1 32796999 OUIUIDUXNIXGJT-UHFFFAOYSA-N 307.437 4.462 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 36387088 GDCGIJPZHXBFGC-DVOMOZLQSA-N 312.413 4.205 0 40 DIAB CCCCOc1ccc(-c2cn3nc(CC)sc3n2)cc1 40963550 BHLDDVJEEADRQA-UHFFFAOYSA-N 301.415 4.199 0 40 DIAB COC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 41082433 CPNBFNGIWZRLBO-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 59351614 NLAOTBWMEAALRR-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CCCCNc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213656 DDKZRFDASOQKAW-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB N[C@@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 72225795 VQWSTYMVPSIJGD-NRFANRHFSA-N 315.420 4.214 0 40 DIAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1nc(C2CC2)cs1 72289033 ZUDTZIKURFCQSV-QKCSRTOESA-N 305.447 4.205 0 40 DIAB COc1c(C)cc([C@H](O)c2ccc(Br)cc2)cc1C 95730320 PHHUFPSJCYUOJV-OAHLLOKOSA-N 321.214 4.156 0 40 DIAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccs1 96759171 UOGWYPFPMSMGQJ-CSKARUKUSA-N 314.797 4.056 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223197746 MKKWKYBDOWUSIA-MRXNPFEDSA-N 323.436 4.048 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCCCCC2)c1 225002358 CLCVRLPHOMHPTC-MRXNPFEDSA-N 303.446 4.288 0 40 DIAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1 225070421 WFWZXZQTWVQTFR-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB COc1ccc(C(F)(F)F)cc1C(=O)COCc1ccccc1 394673189 PSTCLTWDQKBOJH-UHFFFAOYSA-N 324.298 4.114 0 40 DIAB Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]2c2ccco2)c1C 604757902 NGHGZISUMPZXLY-MRXNPFEDSA-N 320.396 4.090 0 40 DIAB C[C@@H](C(=O)O)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 725543360 XDZXXZVCXUTECU-UPJWGTAASA-N 301.361 4.368 0 40 DIAB Fc1ccc(C2=N[C@H](c3ccccc3)[C@H](c3ccccc3)O2)nc1 1988188034 LBQHYJRHHIYJAF-MOPGFXCFSA-N 318.351 4.480 0 40 DIAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O 34073 MFJVYXLNZAGCGM-GFCCVEGCSA-N 324.405 4.309 0 40 DIAB CCc1ccc([C@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 222815 BQHRCBDCITXMDN-QZTJIDSGSA-N 322.387 4.126 0 40 DIAB CN(C)[C@@H]1C[C@@](c2cccs2)(C2CCCCC2)CCC1=O 1577547 KGFHLVDDNFZNTD-CRAIPNDOSA-N 305.487 4.249 0 40 DIAB CCCCCOc1ccccc1Cn1c(=O)oc2ccccc21 2502444 BAYDIWRRQGAEFQ-UHFFFAOYSA-N 311.381 4.212 0 40 DIAB Cc1cc(C)cc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1 2629999 PQPOBHZQRUYUBP-UHFFFAOYSA-N 310.393 4.268 0 40 DIAB CC[C@H](NC(=S)NCCCOC)c1ccc([C@H](C)CC)cc1 2780392 SCWOQYXJVNCEKF-PBHICJAKSA-N 322.518 4.152 0 40 DIAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 3881795 GCKMFJBGXUYNAG-XVMXLUHGSA-N 302.458 4.269 0 40 DIAB CCC(CC)C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C 4033057 XSMFPPVAPJYHGP-UHFFFAOYSA-N 322.412 4.079 0 40 DIAB CCCCc1c(C)nc2c(OC)cccc2c1SCC(=O)O 4825504 HFTGYICHDHHCTL-UHFFFAOYSA-N 319.426 4.071 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 6284722 KIYXVZMPPXIFMS-NSHDSACASA-N 324.207 4.077 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 7304227 YSKXFSYWPPJKIO-OBIHZWKSSA-N 303.764 4.370 0 40 DIAB Clc1ccc(OCc2nnc(-c3ccco3)o2)c(Cl)c1 7890970 PXZJKSJGOTUPFU-UHFFFAOYSA-N 311.124 4.215 0 40 DIAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 8401800 LEVYKGAMZLWTEJ-AWEZNQCLSA-N 320.392 4.288 0 40 DIAB CC(C)(C)N(C=C(Cl)Cl)C(=O)n1cnc2ccccc21 8775330 LSXNGXGXXZVBNO-UHFFFAOYSA-N 312.200 4.381 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 10428881 SVVWVVANDVJVJV-UHFFFAOYSA-N 314.816 4.121 0 40 DIAB O=C(Cc1cccc2ccccc12)Nc1ccc2nsnc2c1 15841243 OQHIKUPCRIBNTJ-UHFFFAOYSA-N 319.389 4.026 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c(Cl)c1 20139382 XOACOVAVTHOUJI-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1 22053759 WOKJVPXISCNIAH-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB Cc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 22522506 MSAPZWFIRUEUDI-UHFFFAOYSA-N 322.452 4.479 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1 22530482 HSCUBOFKQLOXKH-KSSFIOAISA-N 315.388 4.169 0 40 DIAB Cc1ccc2c(Cl)c(C(=O)Nc3nc(C)ns3)sc2c1 27745262 MLAQOFNCNZTILC-UHFFFAOYSA-N 323.830 4.275 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 30873881 MJUSZMQZCVZUHP-KBPBESRZSA-N 315.438 4.053 0 40 DIAB O=C(NCCc1ccccc1)c1cc2c(ccc3ccccc32)[nH]1 40058300 MIFLYIXRFUUEIL-UHFFFAOYSA-N 314.388 4.294 0 40 DIAB COc1ccc(NC(=O)c2cc3sccc3n2C)cc1Cl 40786175 JMYKTLQYGZDCQL-UHFFFAOYSA-N 320.801 4.154 0 40 DIAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 45889016 CAOMTANHHJICDP-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CCC[C@@H](C(F)(F)F)C1 58424288 YVRJPXRWJMZRFO-GFCCVEGCSA-N 323.318 4.041 0 40 DIAB CCc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1 72329152 COEGAGQNOXURLO-UHFFFAOYSA-N 323.440 4.259 0 40 DIAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3C)n3ncnc3N2)cc1 72332455 SRGVJYOKDWFXBV-RBUKOAKNSA-N 318.424 4.350 0 40 DIAB Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1C(C)C 72427488 NBZAKKFQSXGBPJ-UHFFFAOYSA-N 321.376 4.477 0 40 DIAB CC(C)c1nc([C@H]2CCCN2Cc2cccc3cccnc23)no1 75581718 GZQGZRBIYBLUKN-MRXNPFEDSA-N 322.412 4.078 0 40 DIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 89522673 PEZAAVONMWCGRI-CQSZACIVSA-N 318.808 4.049 0 40 DIAB COc1cc(OC)cc(C(=O)c2ccc(OC(C)(C)C)cc2)c1 95916085 NLKUNFSDNFHTFW-UHFFFAOYSA-N 314.381 4.112 0 40 DIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 108924839 CQYWEMBOCPBRBK-OXJKWZBOSA-N 311.347 4.260 0 40 DIAB CC(C)c1cc(I)cc(C(C)C)c1N 138247083 VSUZUVYNMYZNMN-UHFFFAOYSA-N 303.187 4.120 0 40 DIAB c1ccc(-c2cnc(Nc3cc([C@H]4CCCN4)ccn3)s2)cc1 143327449 MCWXTOTZXJVXAQ-OAHLLOKOSA-N 322.437 4.373 0 40 DIAB Cc1cccnc1NC(=S)N[C@@H](CC(C)C)c1ccccc1 225495869 BBIWCSYKZJRNLS-INIZCTEOSA-N 313.470 4.464 0 40 DIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 226261096 WTNXDVPNIHMPFL-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 226265737 ZNJIWDVVOLHSHQ-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccccc2)on1 1775975875 PEFRDYAFELUZEF-IYBDPMFKSA-N 308.381 4.055 0 40 DIAB Fc1cccc(Cc2cnc([C@@H]3CCN(C4CCCC4)C3)o2)c1 2037697426 KZKMQMPXKYDRIZ-OAHLLOKOSA-N 314.404 4.136 0 40 DIAB O=C(Nc1cccnc1)c1cc2c(s1)-c1ccccc1CC2 69874 RFNABVWZJSSADV-UHFFFAOYSA-N 306.390 4.161 0 40 DIAB Cc1ccccc1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 559629 NTVRPKRIFZTVFU-UHFFFAOYSA-N 320.417 4.469 0 40 DIAB CCC(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 560734 VLYSKKBXAFTPKA-UHFFFAOYSA-N 324.355 4.012 0 40 DIAB Cc1cccc(C(=O)N(C)c2nc(-c3ccccc3)cs2)c1 882027 NYKIMEXHDQGVJA-UHFFFAOYSA-N 308.406 4.395 0 40 DIAB CCN(CC)c1ccc(C(=S)NCCc2ccccc2)cc1 1443673 RRLBFBBEMHDSGI-UHFFFAOYSA-N 312.482 4.041 0 40 DIAB COc1ccc(OCCn2c(C3CC3)nc3ccccc32)cc1 2434003 JDHRJSOIQYTALD-UHFFFAOYSA-N 308.381 4.001 0 40 DIAB CCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 2667167 ONBHJNHFTRKHHA-LBPRGKRZSA-N 323.651 4.020 0 40 DIAB CCOC(=O)/C=C1\N[C@@]2(C)CCCC[C@H]2c2c(C)ccc(C)c21 4580988 TYUKGNSLZLNRDL-MYNQYYFHSA-N 313.441 4.227 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 4679177 GSILBSANXVWBMR-YHTWNSKWSA-N 310.353 4.016 0 40 DIAB c1csc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1 4939262 BJKGPUOFUJIBLH-UHFFFAOYSA-N 324.390 4.328 0 40 DIAB Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 5799236 QENCAVJVRPEVMA-UHFFFAOYSA-N 306.247 4.499 0 40 DIAB COc1ccc(N[S@@](=O)c2ccc(-c3ccccc3)cc2)cc1 6411323 DOXHNDPWVBHLCQ-HSZRJFAPSA-N 323.417 4.497 0 40 DIAB CC(C)c1ccc(NC(=O)[C@@H](C)NC2CCCCCC2)cc1 7043378 IGPXYDIIFGZSJT-OAHLLOKOSA-N 302.462 4.449 0 40 DIAB Cc1c(-c2nc3ccccc3[nH]2)c(N)n(Cc2ccccc2)c1C 9421108 HLSGYUSAGFSGNM-UHFFFAOYSA-N 316.408 4.279 0 40 DIAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)c1 9690673 OBZRSXKGDXOWTJ-CYBMUJFWSA-N 324.405 4.409 0 40 DIAB Cc1nc(Nc2ccc(C(=O)O)cc2)c2oc3ccccc3c2n1 9970667 AXJKDAFECGXWSK-UHFFFAOYSA-N 319.320 4.126 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(F)c1 12792675 NRFTYQMBXQWADW-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB O=C(NCC1(c2cccs2)CCCC1)c1ccc(F)cc1 13803125 JGBMMTPBZMWJMN-UHFFFAOYSA-N 303.402 4.129 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(F)c(Cl)cc1Cl 17304201 BMABISHJBHUXNL-UHFFFAOYSA-N 324.142 4.261 0 40 DIAB COc1cccc(CN(C)C(=O)Nc2ccc(Cl)cc2)c1 18172631 KBJRKCPAMXFVBW-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 21898737 SLNNZIDHDVIYLT-OAHLLOKOSA-N 313.422 4.052 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2F)c1 22906790 LZDUIPWEAZCBGX-AWEZNQCLSA-N 301.361 4.157 0 40 DIAB CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C)n3)ccc21 27980617 GRXVFLIUNOLQIO-UHFFFAOYSA-N 307.397 4.234 0 40 DIAB Cc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 38833259 MYIBXJLOBUAZST-QGZVFWFLSA-N 322.452 4.479 0 40 DIAB O=C(Nc1ccc(Cl)c2cccnc12)c1n[nH]c2ccccc12 40050343 HIWVEZMKIBTUOF-UHFFFAOYSA-N 322.755 4.017 0 40 DIAB COc1cccc(CN(C)[C@@H](C)c2cccc(F)c2)c1OC 40157186 IJUUGKHOMAWQJH-ZDUSSCGKSA-N 303.377 4.036 0 40 DIAB O=C(O)c1ccccc1CN1CC[C@H](c2ccccc2Cl)C1 67834383 AVGPORRCVQNLET-AWEZNQCLSA-N 315.800 4.028 0 40 DIAB Cc1ccoc1C(=O)Nc1ccccc1NC(=O)OC(C)(C)C 68774400 HEDBNIWNNWYBRB-UHFFFAOYSA-N 316.357 4.187 0 40 DIAB Cc1ccc(F)c(NC(=S)Nc2ccc(N(C)C)cc2)c1 71760515 ZCOHQJIFKNWKSQ-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB CCc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 72331626 VCHULONXVWKMGA-UHFFFAOYSA-N 307.315 4.198 0 40 DIAB Cc1ccc([S@@](=O)Cc2ncc(-c3cccs3)o2)cc1C 85233335 ZCTUWMMQWLXVMW-OAQYLSRUSA-N 317.435 4.328 0 40 DIAB C[C@H]1CC[C@H](OC(=O)c2csc(-c3ccc(F)cc3)n2)C1 95996101 HNMWTAZAOQGHOW-GWCFXTLKSA-N 305.374 4.295 0 40 DIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225690883 GGLITEASQMVOGM-INIZCTEOSA-N 313.825 4.128 0 40 DIAB CCCN1CC=C(c2nc3cc(Br)ccc3o2)CC1 226251024 QKZIZBSRNWZAKB-UHFFFAOYSA-N 321.218 4.089 0 40 DIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(CC)CC)OCC[C@@]31C2 257255109 KGDKQECHRVMVSZ-FEBARNBZSA-N 321.505 4.159 0 40 DIAB O=C(Nc1ccc(-c2ccncc2)nc1)c1cc2ccccc2o1 575615273 CVSBQUYYFFKEHQ-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB COC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccccc1 151122 NMMNNMYCUWOQQF-UHFFFAOYSA-N 317.410 4.105 0 40 DIAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]21 384453 MNMAEQVSXROYEC-AZUAARDMSA-N 321.420 4.377 0 40 DIAB O=C(NCc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 1405225 HSCHOURBOPHTQQ-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB CCCCN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O 1560662 XFKKRDDQXKUFRA-ZROIWOOFSA-N 300.383 4.004 0 40 DIAB CCCCNc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCC2 2242069 WBDPNFYOHPAAOI-UHFFFAOYSA-N 320.440 4.405 0 40 DIAB O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1ccc(F)cc1 3117011 HNZJETUFOYNEQY-UHFFFAOYSA-N 315.678 4.089 0 40 DIAB C[C@@]12C[C@H](c3ccccc3O1)N1Cc3ccccc3CSC1=N2 3592530 GOPKBGORRFGSNU-APWZRJJASA-N 322.433 4.345 0 40 DIAB CC(=O)OC[C@@]12CO[C@@H](c3ccccc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4026574 VCHXOWGOUYSRMD-SBCNTATESA-N 314.425 4.156 0 40 DIAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(Cl)s1 4264238 VYBVNICPXMWLKL-UHFFFAOYSA-N 312.778 4.403 0 40 DIAB CC1(C)CN2C(c3ccccc3)=NN(c3ccccc3)[C@@]2(C)C1 5741693 UTUGBGAZVZXPNP-FQEVSTJZSA-N 305.425 4.317 0 40 DIAB Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2C)c1 6914418 VKWUSSQYQJKMAO-UHFFFAOYSA-N 313.401 4.222 0 40 DIAB Cc1cc(C(=O)Nc2nc(-c3cccs3)cs2)c(C)o1 6968463 NRVLSMRRNXMRFJ-UHFFFAOYSA-N 304.396 4.334 0 40 DIAB CCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)cc1 7383241 IGIKCJMMADHHFO-UHFFFAOYSA-N 308.425 4.410 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(Cl)c2)c1 10443986 GBCGFBKVMXRBNX-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CCOC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12 18192773 ZOOLSVYIXLDZCJ-UHFFFAOYSA-N 307.393 4.104 0 40 DIAB Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 19684212 KKBKSYPAHYRAGH-UHFFFAOYSA-N 320.320 4.242 0 40 DIAB O=C(c1csc2c1CCCC2)N1CC[C@H]2CCCC[C@@H]2C1 23429263 NRZVOZAAYNWGPL-ZIAGYGMSSA-N 303.471 4.279 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1 24830807 GKJZVWRZCHIAII-UHFFFAOYSA-N 313.332 4.046 0 40 DIAB O=C(CSc1cccs1)Nc1cccc2cccnc12 31604658 KPBIHEGJQAWNSB-UHFFFAOYSA-N 300.408 4.027 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccccc1 32193539 NZAYTIMNHGQZKX-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CCCCN(CCCC)C(=O)Nc1cc(OC)c(OC)cc1C 40103475 DMDJOLJMHQKREJ-UHFFFAOYSA-N 322.449 4.446 0 40 DIAB C[C@@H]1CCN(C(=O)/C=C/c2ccccn2)c2ccccc2S1 47519568 KSXAHJOSUTXPDU-ATWMFIQVSA-N 310.422 4.012 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)c(C)c1 59351606 LBOXBRFZQDRHEO-SJORKVTESA-N 311.425 4.257 0 40 DIAB CC(C)CNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72213322 YAGXAJMZIPVWFF-GOSISDBHSA-N 323.440 4.127 0 40 DIAB Clc1cc(Cl)nc(-c2cccc(Br)c2)n1 84691117 GJZMHKMMDYJJOO-UHFFFAOYSA-N 303.974 4.213 0 40 DIAB Cc1ccnc(-c2ccc(N[C@@H](C)c3nc(C(C)C)no3)cc2)n1 96406731 VOEMTQQMEDNJJE-ZDUSSCGKSA-N 323.400 4.132 0 40 DIAB O=C(CNc1cccc2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 96969206 FIEGSPUWQRHVFU-FXAWDEMLSA-N 322.452 4.433 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc2ccccc2c1 222794640 VHOWPCMVSVKLMV-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)CC(C)(C)C 224415728 AFTGQCIJDWZNPF-LBPRGKRZSA-N 311.853 4.438 0 40 DIAB Cc1cc(C)c(C[C@@H](Sc2ccccc2)C(=O)O)c(C)c1 225137292 XHAHYFUMKCBXMM-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB CC1(C)COc2ccc([C@H](O)c3ccccc3Cl)cc2OC1 225356970 OOWBRUCAZHFGAI-KRWDZBQOSA-N 318.800 4.219 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccnc1 225661932 UDOQNLAQFMFWJX-AWEZNQCLSA-N 313.470 4.124 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1)C1CC1 225724836 KNQJASUJTWFITB-LIRRHRJNSA-N 319.445 4.316 0 40 DIAB CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C 226277444 GHOUDGHGYIRIJW-HNNXBMFYSA-N 312.413 4.033 0 40 DIAB Cc1cc(OCc2ccccc2)c(C=O)cc1Br 307704970 UNCJIGFMRBIYNQ-UHFFFAOYSA-N 305.171 4.149 0 40 DIAB O=C1C[C@H]2C[C@@H]1[C@H](c1nc(-c3ccc(Cl)cc3Cl)no1)C2 333880296 UHCPRKJTRASOHY-WHGOUJPWSA-N 323.179 4.126 0 40 DIAB Cc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)c(C)c1 425613 UNUGNZHFURLMFM-UHFFFAOYSA-N 321.428 4.177 0 40 DIAB O=C1N[C@@H](c2ccccc2Cl)Nc2sc3c(c21)CCCC3 565655 ZYMFNGZOJYIKIF-CQSZACIVSA-N 318.829 4.134 0 40 DIAB CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1 968816 PKNUEDARTUTGLI-UHFFFAOYSA-N 324.472 4.102 0 40 DIAB aggregator Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1 1315217 AZGHPONYURSMKP-PXAZEXFGSA-N 315.800 4.121 0 40 DIAB O[C@@]12c3ccccc3[C@@H]1CCCCCCCCCC21OCCO1 1634660 JIKKDOWIZOYPTG-FXAWDEMLSA-N 316.441 4.239 0 40 DIAB CC1(C)c2ccccc2-c2nc3ccccc3c3c2[C@@H]1OC3=O 2036249 GUNPHVUQXWLBBL-SFHVURJKSA-N 301.345 4.405 0 40 DIAB O=c1cc(-c2ccccc2Br)oc2ccc(F)cc12 2243271 VHITWVCICYLLKF-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB biogenic CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 2650660 WWDALEHVGSKTJW-UHFFFAOYSA-N 313.784 4.213 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 3554347 DPMOEMHUFHIHTM-CQSZACIVSA-N 317.816 4.041 0 40 DIAB Cc1ccc(NC(=O)CC[C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 3846442 FCOGMMQNZJTDOD-QINHECLXSA-N 313.441 4.355 0 40 DIAB Cc1cc(C)c(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1C 4029244 OGQXSBVMESXCLJ-PKOBYXMFSA-N 315.457 4.033 0 40 DIAB biogenic Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2C)c1 4120177 LHNGAJYOLZGUGV-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CCCCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 4696240 MDUQSGWXBJOJGD-UHFFFAOYSA-N 324.424 4.249 0 40 DIAB CCN(CC)C(=O)c1ccc(OCc2ccccc2Cl)cc1 7700041 ISDAPXPGUURKFU-UHFFFAOYSA-N 317.816 4.401 0 40 DIAB CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)c1 8024564 DEBUHFLWVOBJQE-ZDUSSCGKSA-N 300.427 4.156 0 40 DIAB CN(Cc1c(F)cccc1Cl)c1ncnc2ccccc12 8036439 WBOVITXQNFHFIG-UHFFFAOYSA-N 301.752 4.059 0 40 DIAB CCCCNC(=O)CSc1nc(-c2ccc(C)cc2)cs1 8346119 JMRVRMHXPUFIII-UHFFFAOYSA-N 320.483 4.127 0 40 DIAB CC[C@@H]1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1 8684602 LVZMXNNTEWBIKO-GFCCVEGCSA-N 314.401 4.249 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111717 DZRBZNXEPMEAPI-AWEZNQCLSA-N 311.425 4.484 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2ccc(Br)cc2)c1 10701032 BFRRHCQYVNVPMN-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CC[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 11321745 NGWSNCWIAHQIAI-HNNXBMFYSA-N 307.365 4.474 0 40 DIAB c1csc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)c1 12745604 XFWTZLUVRTZMBL-NSHDSACASA-N 317.439 4.197 0 40 DIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccccc3O)cc2c1 13561619 PZSORHALKUTRAE-UHFFFAOYSA-N 322.408 4.143 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc(Cl)cc1 13838901 DXAFPSPRAYQCHH-LLVKDONJSA-N 302.830 4.488 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccccc2Cl)cc1 13932630 RPKYURIYWGMZMY-LLVKDONJSA-N 320.845 4.396 0 40 DIAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)c1 13939130 MWKXJSGQBJRYOO-UHFFFAOYSA-N 311.491 4.105 0 40 DIAB Cc1cc(Cl)nc(Cl)c1C(=O)N(C)C1CCCCC1 15107919 RMATYUKUXZLPGG-UHFFFAOYSA-N 301.217 4.102 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1cc2ccccc2[nH]1 18134038 RSVLFPBEBPPFEK-HNNXBMFYSA-N 308.406 4.135 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 18174221 XENSMZVRUQTRMP-LLVKDONJSA-N 304.777 4.231 0 40 DIAB O=C(CCNc1ccccc1Br)c1ccccc1 18193134 KQROACRRQXKSAQ-UHFFFAOYSA-N 304.187 4.134 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 20050548 JIZKKTLUUFPHOG-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@H](c2ccccc2C)CC3=O)c1 20632845 MVOYZUQCWRCSEO-INIZCTEOSA-N 316.404 4.402 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 21378571 KBTXBCYFRWWXRH-CQSZACIVSA-N 315.438 4.431 0 40 DIAB COc1ccc(OC(=O)c2occc2COc2ccccc2)cc1 22240106 DGIDEKZBGMVZFI-UHFFFAOYSA-N 324.332 4.086 0 40 DIAB CSCc1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 23184838 WTBZJMODMCCLAS-UHFFFAOYSA-N 312.394 4.252 0 40 DIAB O=c1cc(-c2ccccc2)[nH]c2c(-c3ccc(Cl)cc3)cnn12 27586320 LEZMKRYYDSNDIU-UHFFFAOYSA-N 321.767 4.010 0 40 DIAB O=C(CSCc1ccc(F)cc1)N1CCCc2ccccc21 30758376 JJZXRSVEKFFWHZ-UHFFFAOYSA-N 315.413 4.038 0 40 DIAB COc1ccccc1NC(=O)N[C@@H](C)c1cc(C)sc1C 31662827 UQZKEYZZABULRX-NSHDSACASA-N 304.415 4.256 0 40 DIAB O=C(CCc1cccs1)Nc1ccc2oc(C3CC3)nc2c1 32818721 LJCUUDFUVZIDLO-UHFFFAOYSA-N 312.394 4.338 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cccs2)C1 36366050 MBAMQPNUCKSMNK-SNVBAGLBSA-N 319.455 4.319 0 40 DIAB Cc1ccc(-c2nnc(C)c3nn(-c4ccccc4)cc23)cc1 36649129 LQOOUNTWEGUOHW-UHFFFAOYSA-N 300.365 4.099 0 40 DIAB C[C@H](NCc1csc(-c2cccs2)n1)c1ccncc1 57570482 SGJJKDCGIJWYLL-NSHDSACASA-N 301.440 4.117 0 40 DIAB COc1ccccc1-c1cc(-c2cccc(Cl)c2)nc(N)n1 71977580 MNGQWKZFUQEOEQ-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc(Cl)nc1 72024416 VYQWKRPRJLNEHB-UHFFFAOYSA-N 321.207 4.198 0 40 DIAB CC[C@H](Nc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207634 FVHWIJLPMPZHJQ-HOTGVXAUSA-N 306.450 4.426 0 40 DIAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1CC(C)C 72219224 ZUNJJXVLVBBIJK-GOSISDBHSA-N 301.478 4.173 0 40 DIAB Cc1ccccc1NC(=O)Nc1ccc(Cn2ccnc2C)cc1 72290951 FOCHZRNLXNWKJM-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB c1ccc(-c2nccc(N3CCS[C@@H]4CCCC[C@@H]43)n2)cc1 75108473 VLDJJEJDQIHDNE-JKSUJKDBSA-N 311.454 4.008 0 40 DIAB O=C(Nc1c(F)cccc1NC1CC1)c1cccc(F)c1Cl 89768128 BIFCIFYBVIWLCA-UHFFFAOYSA-N 322.742 4.445 0 40 DIAB C[C@@H](NC(=S)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 102307128 BTLFZBTVLJYAIR-ZJPZJRRFSA-N 302.487 4.036 0 40 DIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@H]1C2 106857711 HGRAYTWTPLWEEQ-HZVDNRATSA-N 307.437 4.323 0 40 DIAB Cc1ccc(-c2nc3ccc(N)cc3o2)cc1Br 129644427 KOCCHZOBNPAKGH-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C)cc1 222679891 CWDOAORXFWROKO-KRWDZBQOSA-N 301.817 4.458 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224337862 HVSNZVCQPYOUPB-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB Cc1ccc(C)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225028419 HGVNVWVNMPEKRS-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225773521 NZILJXAJFRKZQI-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O[C@H](c1cc(C(F)(F)F)ccc1Br)C(F)(F)F 1857793195 FCJGTSIIYYBMOV-SSDOTTSWSA-N 323.030 4.064 0 40 DIAB CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 193087 CDHZUFZVAFBDBU-BXKDBHETSA-N 315.196 4.213 0 40 DIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccccc1Cl 574326 JZRPVQLBTJFOGD-ZHACJKMWSA-N 317.772 4.009 0 40 DIAB CCOP(=O)(OCC)[C@H](O)c1ccc(Cl)c(Cl)c1 1676185 WHZVWBKGYWFUEV-NSHDSACASA-N 313.117 4.250 0 40 DIAB CCCCOP(=O)(OCCCC)c1ccccc1OC 1737498 LCDSMXSTRIOSTM-UHFFFAOYSA-N 300.335 4.147 0 40 DIAB CC1(C)[C@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@@]1(C)C(=O)O 6855890 OYOJTMJWKBYBKK-QFYYESIMSA-N 306.793 4.211 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1C 7584003 LOVWRFRHPSYJRL-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB C[C@H](NC(=S)NC1CCCCC1)c1cc2ccccc2o1 7970150 ADPQNOKWEVBEIC-LBPRGKRZSA-N 302.443 4.291 0 40 DIAB Cc1cc(-c2cnc(NC3CCCCC3)nc2-c2ccco2)on1 12184259 FHTOSTROCMSOQO-UHFFFAOYSA-N 324.384 4.445 0 40 DIAB COc1ccccc1-c1cc(-c2cc(Cl)ccc2O)n[nH]1 13127549 WWPSYSMSVZTOPY-UHFFFAOYSA-N 300.745 4.111 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc2ccccc2c1 13391116 JRHQYMXOWFTWFW-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB Cc1ccc(CCCNC(=O)CSc2ccc(C)cc2)cc1 13667858 QBRSNOCQUJJTLK-UHFFFAOYSA-N 313.466 4.145 0 40 DIAB Cc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)s1 14902017 DABRDDJXTLNJOE-UHFFFAOYSA-N 322.336 4.158 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)c(C)c1 20047194 XDAZFNYYZSTJMU-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1ccc(NCc2nc(-c3ccsc3)no2)c(Cl)c1 23003975 JIDDBGIYJJDVHW-UHFFFAOYSA-N 305.790 4.372 0 40 DIAB O=C(c1cccc2ncccc12)N(Cc1ccccc1F)C1CC1 26426052 PNTRIWCUFLQCRT-UHFFFAOYSA-N 320.367 4.179 0 40 DIAB CCSc1ccccc1NC(=O)COc1cc(C)ccc1C 30849328 TZZVRSJETJNIDO-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB Cc1noc(C)c1C(=O)N[C@H](c1cccs1)C1CCCC1 31805432 HOKLVEMYWZGILY-HNNXBMFYSA-N 304.415 4.014 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38833564 QZVVSSSUCQJICV-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB Cc1c(C(=O)N2C[C@H](C)Oc3ccccc32)oc2ccccc12 41155504 POXLWYQNERQZAM-LBPRGKRZSA-N 307.349 4.169 0 40 DIAB Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)on1 48250754 AAAUODJCXJWWQR-KRWDZBQOSA-N 323.396 4.284 0 40 DIAB Cc1cc(C)cc(Nc2cc(N)nc(-c3ccccc3F)n2)c1 49467817 JHOHPBWQBLWXDT-UHFFFAOYSA-N 308.360 4.225 0 40 DIAB CCCn1ncc(-c2ccnc(N[C@@H](C)c3ccccc3)n2)c1C 63884528 ZOCRCARUVJWXCX-AWEZNQCLSA-N 321.428 4.232 0 40 DIAB Cc1nnc2c(N)c(-c3ccccc3)c3cc(Cl)ccc3n12 65739320 UZCOFCPJYLEACT-UHFFFAOYSA-N 308.772 4.094 0 40 DIAB in-vitro O=C(NCc1ccncc1)Nc1cccc(-c2ccsc2)c1 69892709 KAZKXJFYQLSAQF-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB Cc1ccccc1CN(Cc1ccccc1C)CC1CCNCC1 72203917 RVXDPORXDAZFBW-UHFFFAOYSA-N 322.496 4.305 0 40 DIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(C(C)C)cc1 72340956 WHHLKJUYMQCJMR-XLIONFOSSA-N 307.441 4.170 0 40 DIAB Cc1csc(-c2ccc(C(=O)N3C[C@H](C)CC[C@@H]3C)cc2)n1 75291896 CYLCTUWRYSWWFB-OCCSQVGLSA-N 314.454 4.379 0 40 DIAB CCOCC1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 95959026 LNLKYZMCKHYEMN-NVXWUHKLSA-N 309.494 4.114 0 40 DIAB Cc1oc(-c2ccco2)nc1CSc1nncc2ccccc12 96482517 RJOHWKJUBDLACJ-UHFFFAOYSA-N 323.377 4.479 0 40 DIAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3)cc2)n1 170583799 QVDJCTMAQKHXFH-UHFFFAOYSA-N 318.380 4.089 0 40 DIAB CN(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 216082691 CPQOSNPYXRSMJZ-UHFFFAOYSA-N 319.857 4.232 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225468802 QSPXQTUCJPVCDZ-LLVKDONJSA-N 306.381 4.321 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C)c(C)cc1C 225650717 HKZYJEXDAYWSII-FQEVSTJZSA-N 323.436 4.428 0 40 DIAB Cc1cnc([C@@H](C)NC(=O)c2oc3c(C)ccc(C)c3c2C)o1 331845734 UHRZHEOYMBPZDA-CYBMUJFWSA-N 312.369 4.145 0 40 DIAB Brc1cncc(OC[C@@H]2C[C@@H]2c2ccccc2)c1 575424356 ZKNVSMORQGRKIH-SWLSCSKDSA-N 304.187 4.027 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1C 38406 GHPLPHIQCSRCCP-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB Cc1cc(C)n(-c2ncnc3scc(-c4ccccc4)c23)n1 87829 ZGFQEVFOQAYMCC-UHFFFAOYSA-N 306.394 4.161 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1nc2c(C)cccc2s1 115180 CWNNQCSZPOLGKD-ZHACJKMWSA-N 324.405 4.265 0 40 DIAB Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)c1 422978 UTVVKZYDGDZOTK-LPHOPBHVSA-N 308.381 4.073 0 40 DIAB CCCC[C@H](NC(C)=O)c1nc2ccccc2n1CCCC 1927001 QIPPZIORWVMEBJ-INIZCTEOSA-N 301.434 4.204 0 40 DIAB CCCSc1nc(N)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2274603 QFHMOKRHYMSNOR-HNNXBMFYSA-N 323.487 4.017 0 40 DIAB O=C(COc1ccc(-c2ccccc2)cc1)NCc1cccs1 3399067 DGOADYRTXQLMBB-UHFFFAOYSA-N 323.417 4.110 0 40 DIAB Cc1cnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)s1 3555815 VOARSNHEKJLYCA-UHFFFAOYSA-N 324.833 4.211 0 40 DIAB Cc1ccccc1CN1CCC(N(C)Cc2ccccc2)CC1 4199088 COWAEVBLESSJDJ-UHFFFAOYSA-N 308.469 4.091 0 40 DIAB CSc1cccc(C(=O)Nc2nc3ccccc3s2)c1 4517478 DFZYVUOHIZDBHN-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB O=C(CC(Cl)=C(Cl)Cl)Oc1cccc2cccnc12 4687184 GLYJYAFCWHXNRB-UHFFFAOYSA-N 316.571 4.416 0 40 DIAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccncc1)c1ccc(Cl)cc1 5226930 QJHDKYJHBQENLR-CXAGYDPISA-N 316.832 4.352 0 40 DIAB O=C(Nc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 6627363 KMUYBFGXGKJFCT-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CC(C)(C)C1CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 6857310 KWXQMHOVLRMRRC-VMBOVVBDSA-N 315.457 4.479 0 40 DIAB Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 7584009 UXENMEZYXLRUJZ-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1cccc2sc(NC(=O)C3(c4ccccc4)CC3)nc12 7725087 KFTXUBCILIQWFC-UHFFFAOYSA-N 308.406 4.275 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1F 7968298 AUKFVVQZVRGITA-UHFFFAOYSA-N 318.298 4.157 0 40 DIAB Clc1ccc(-c2cc3ncnc(-n4ccnc4)c3s2)cc1 8135365 KASPUWAOCALQOD-UHFFFAOYSA-N 312.785 4.197 0 40 DIAB Cc1nc2c(C)c(Cl)ccc2c(O)c1CN1CCC[C@@H](C)C1 8717154 DJJFNASQPGYBEM-LLVKDONJSA-N 318.848 4.443 0 40 DIAB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2O1 10542956 OGYYWTVNESKHRC-OAHLLOKOSA-N 315.800 4.372 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 11052318 KMQRAOBQYPVPKV-AWEZNQCLSA-N 323.392 4.011 0 40 DIAB Cc1cc(C)cc(OCCCCn2c(C=O)nc3ccccc32)c1 11735032 FDLFQYNIRITGRY-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccs1 12753934 JLYSLBHNXBXHOA-QWRGUYRKSA-N 309.818 4.046 0 40 DIAB Cc1ccc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)o1 12810551 NIOARKATOWMHQB-UHFFFAOYSA-N 308.362 4.220 0 40 DIAB CCCCCCNC(=S)Nc1ccc2cc(C)ccc2n1 13208066 CDBFMEOARYCTOE-UHFFFAOYSA-N 301.459 4.410 0 40 DIAB Clc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)C=CO2 20727506 FSPXMLRFDDDHRE-UHFFFAOYSA-N 323.739 4.232 0 40 DIAB CCC(=O)Nc1ccc([C@H](C)NCc2ccc(C)s2)cc1 30641032 CUFTXLYSVMILHY-ZDUSSCGKSA-N 302.443 4.256 0 40 DIAB O=C(c1ccc(Br)cc1)c1cnc2ccccc2c1 37761547 PXYYBQVCFKLXII-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB CCOc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 41156800 PQXCVFXTAJTQCE-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB CC(C)CCO[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 58017461 VHERMOQOBYRODS-WDEREUQCSA-N 303.855 4.030 0 40 DIAB O=C(Cc1ccccc1O)Nc1ccc2c(c1)Cc1ccccc1-2 65595616 CWKUXQHFCZTJFA-UHFFFAOYSA-N 315.372 4.145 0 40 DIAB O[C@@H](c1ccc(Br)cc1)c1ccc(F)c(Cl)c1 95730293 XNQQNRRVDRRQRC-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 95929499 DHYYHLSGCQREOR-UHFFFAOYSA-N 303.365 4.265 0 40 DIAB CCOCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 96461433 WBOSTJBHLOTTEN-WBVHZDCISA-N 302.418 4.020 0 40 DIAB Fc1ccc(NC(=S)NCc2ccc3ccccc3c2)cc1 222822477 BDJULLXNOCIQIC-UHFFFAOYSA-N 310.397 4.466 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C 223218195 XDSRJMGSSKPHTL-INIZCTEOSA-N 305.393 4.169 0 40 DIAB C[C@H]1CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(F)cc21 223233729 KZEDDYYVUXNQFR-NSHDSACASA-N 317.360 4.409 0 40 DIAB O=C(CSCc1ccccc1Cl)NCC1CCCCC1 223404004 XLKKZVSHSDLDSH-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1csc(C2CC2)n1 230110313 SVVOUULIIFGKJY-YWPYICTPSA-N 319.474 4.056 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c(C)c1 252480026 BSKYDEOFMGNVCU-UHFFFAOYSA-N 323.396 4.222 0 40 DIAB CC(=O)CCn1c(SCCc2ccccc2)nc2ccccc21 29060 SJKOZWOHZLPYRN-UHFFFAOYSA-N 324.449 4.350 0 40 DIAB COc1cccc2c(Nc3ccc(C(C)=O)cc3)cc(C)nc12 303390 OHZFNKIYIYPORZ-UHFFFAOYSA-N 306.365 4.498 0 40 DIAB O=C(c1ccccc1CN1CCC1)c1ccccc1C(F)(F)F 2515626 IKMQSGVKGAIECD-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB O=C(CSCc1ccccc1)Nc1ccc(F)c(Cl)c1 3438238 AKHOIGZJBMLVRH-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)c1cccnc1SC 3552024 AZJCODYRDHXZMC-UHFFFAOYSA-N 322.817 4.026 0 40 DIAB CC(C)c1ccc(NC(=O)COc2ccccc2Cl)cc1 3602916 HISHFMWJHSUTFM-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB O=C(c1ccccc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)c1ccccc1 4473356 KAFIRIBTVAQVNC-QGFMHUBQSA-N 302.373 4.191 0 40 DIAB Cc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 5578302 ISHRSVOKSFTJGB-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(F)c1 6784461 GVWFYHOYGKTCLE-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB COc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6954846 VADHUCMUCUAHJT-JCGVRSQUSA-N 321.376 4.220 0 40 DIAB CC(C)C[C@@H](NC(=O)COc1ccccc1F)c1ccccc1 7037026 YTYRUEHONGABNK-QGZVFWFLSA-N 315.388 4.108 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N1CCC(Cc2ccccc2)CC1 8071990 TULMORJLGNPDNH-UHFFFAOYSA-N 318.420 4.263 0 40 DIAB O=C1C[C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)n[nH]c2N1 8971064 QUSFTHRHFBGUDH-CQSZACIVSA-N 323.783 4.204 0 40 DIAB CCc1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1 10325823 OIXNBBNPQQLMBE-QGZVFWFLSA-N 309.453 4.319 0 40 DIAB CCSc1nc(-c2ccccc2)c(NC(=O)C2CC2)s1 12442807 LLOFAUNVSYLSGL-UHFFFAOYSA-N 304.440 4.271 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(F)c1 12762056 BOUFCICQBFLBTA-UHFFFAOYSA-N 306.340 4.448 0 40 DIAB O=C(Nc1ccncc1)c1cc2c(s1)-c1ccccc1CC2 12788651 LTOSILRWXKERNT-UHFFFAOYSA-N 306.390 4.161 0 40 DIAB O=C(c1ccc(F)cc1F)N1CCCSc2ccccc21 12910450 ALPGXSDHLFUNBH-UHFFFAOYSA-N 305.349 4.107 0 40 DIAB Cc1nc(COc2ccccc2C(=O)Nc2ccccc2)cs1 12974687 NBEVZKVPXHIBIX-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1C 14215355 FDHZNGMIAMDQAS-CQSZACIVSA-N 317.816 4.213 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 17056622 GVZILAKFWWDAGS-XHVUQVIVSA-N 323.436 4.121 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158422 IIHWSEQCKOCORV-UHFFFAOYSA-N 310.353 4.185 0 40 DIAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cccc(Cl)c1 28287483 UJNOIIFRCYYZPZ-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CCCOc1ccc2c(=O)c(-c3csc(C)n3)coc2c1C 28462360 AODDWBFMTPKYJT-UHFFFAOYSA-N 315.394 4.322 0 40 DIAB CCc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 33889436 ASARAWRSNVJSBQ-FXRFXEHHSA-N 300.442 4.172 0 40 DIAB COc1ccc(OCCCn2c(C3CC3)nc3ccccc32)cc1 39907713 DTSIRXKMUSTFQJ-UHFFFAOYSA-N 322.408 4.391 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)c1cccc(F)c1 40141180 PUGIXYHJZMCQSO-KBPBESRZSA-N 317.429 4.325 0 40 DIAB CCCNc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12 40216745 CERSIRKDHWGLJJ-UHFFFAOYSA-N 314.820 4.488 0 40 DIAB CC(C)c1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122830 RQKJSGUSWILLBV-HNNXBMFYSA-N 319.449 4.217 0 40 DIAB Cc1ccsc1CN(C)C(=O)Nc1cc(CC(C)(C)C)no1 58209147 GKPYEGKDTGSOLV-UHFFFAOYSA-N 321.446 4.297 0 40 DIAB CCOC(=O)c1ccc(OCc2ccccc2C)c(OCC)c1 62170289 UBRFWAKSLHPKNY-UHFFFAOYSA-N 314.381 4.149 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 113959485 DNHGSMMDDRYRHD-OXJNMPFZSA-N 323.436 4.265 0 40 DIAB COc1cccc(Cc2csc(Nc3ncccc3C)n2)c1 211138383 VZGOLWBGXYBUCE-UHFFFAOYSA-N 311.410 4.190 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c(C)c1 222611172 KCWWTLRPQXLFOD-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC(C)(C)CC(C)(C)C 224156467 LVDLNGHNYVMGDG-MRXNPFEDSA-N 321.461 4.184 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225632509 UZIKQJLTXKYPGE-MRXNPFEDSA-N 323.436 4.071 0 40 DIAB Cc1cc(Br)c2c(Cl)c(C(=O)O)sc2c1 228940790 LXWGHEOGVWXQGY-UHFFFAOYSA-N 305.580 4.324 0 40 DIAB CC(C)N1CCC[C@H](c2ccc(-c3ccccc3C(=O)O)cn2)C1 257266892 MFAFDOJEDKKCTE-INIZCTEOSA-N 324.424 4.035 0 40 DIAB COc1ccc(-c2cc(C(=O)O)c3ccc(Cl)cc3n2)cc1 243536 SWAZLUGHVFRSEA-UHFFFAOYSA-N 313.740 4.262 0 40 DIAB CC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 525916 NMSSETOEIBVUBW-CSMYWGQOSA-N 317.772 4.118 0 40 DIAB CC1(C)CC(NC2CCCCC2)=CC(NC2CCCCC2)=N1 1581748 VQYGZUBZFOYLAG-UHFFFAOYSA-N 303.494 4.296 0 40 DIAB N=C1c2ccccc2CN1c1ccc(OC(F)(F)C(F)F)cc1 3194497 KNEVIWFYNWTLPV-UHFFFAOYSA-N 324.277 4.269 0 40 DIAB Nc1c(Cl)cc(NC(=S)NC2CCCCC2)cc1Cl 3294231 CTTXIELTYMHAKU-UHFFFAOYSA-N 318.273 4.195 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3[C@H]1CC=C(C)C[C@H]1C 4029029 SSBXMBLMSWKYIH-FRIZHTMISA-N 310.441 4.356 0 40 DIAB biogenic O=C(Nc1cccc(Cl)c1)c1ccc(Br)s1 4070200 HBHOCYAPGPTCCE-UHFFFAOYSA-N 316.607 4.416 0 40 DIAB Cc1cccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 4070827 UTSHJSNVPDCZDH-UHFFFAOYSA-N 320.417 4.469 0 40 DIAB Cc1cc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1 4163723 YUSODRSZXKMEPI-UHFFFAOYSA-N 320.392 4.223 0 40 DIAB CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 4246814 UCYIWTIEOSUMKS-UHFFFAOYSA-N 319.792 4.449 0 40 DIAB CC/C(C)=C1/SC(=O)N(CNc2ccccc2Cl)C1=O 5414277 ZCVPZGHXUVIKDH-FMIVXFBMSA-N 310.806 4.089 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)SC1=NCCS1 5568204 VXFKAYZFFJERGU-UHFFFAOYSA-N 307.227 4.361 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 5779206 NCMVPIFMXBLLQZ-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CC[C@@H]12)CC4=O 5912508 KFVUFODCZDRVSS-PZWCKASYSA-N 318.457 4.443 0 40 DIAB c1ccc2c(CSc3nncc4ccccc34)nccc2c1 6277089 QLJZZNAZRVMAJM-UHFFFAOYSA-N 303.390 4.470 0 40 DIAB Cc1cc(=O)oc2cc(NC(=O)c3ccccc3Cl)ccc12 6510570 TYQAHYBRHIPXLM-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCSc1ccccc1C(=O)Nc1cc(OC)ccc1OC 7068929 UTLXXKLJMJVQKZ-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB O=C(COc1ccc2ccccc2c1)N1CC[C@H]2CCCC[C@H]2C1 8162014 SVBVXWSXHIQBCG-MJGOQNOKSA-N 323.436 4.257 0 40 DIAB CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135338 ZMINDNZUZXXNTA-UHFFFAOYSA-N 324.380 4.116 0 40 DIAB CCCn1c(NC(=O)c2ccccc2OCC)nc2ccccc21 9592964 ILPONWHBVXWZQB-UHFFFAOYSA-N 323.396 4.097 0 40 DIAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 10216921 NHTWPHUTAKFJDR-HIFRSBDPSA-N 312.438 4.316 0 40 DIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 10490814 YGJHYXXQRGQJSF-UHFFFAOYSA-N 323.726 4.220 0 40 DIAB CC(C)c1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1 10923082 CCUYYDYBNXKGFN-VMPITWQZSA-N 311.450 4.470 0 40 DIAB CC[C@H](Oc1cc(C)ccc1Cl)C(=O)Nc1ncccc1C 13326394 YKAWBDLAXRWGJY-AWEZNQCLSA-N 318.804 4.148 0 40 DIAB O=C1c2cccc3cccc(c23)N1Cc1cc(-c2ccco2)on1 15551329 OAZJZDYQCZDMJU-UHFFFAOYSA-N 316.316 4.248 0 40 DIAB c1ccc([C@@H]2C[C@@H]3c4ccccc4OC4(CCCC4)N3N2)cc1 19171719 XYMAJJUMIAREDB-ZWKOTPCHSA-N 306.409 4.342 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCc2ccccc21 20046695 CITCPGKDJFRMEK-IBGZPJMESA-N 309.409 4.132 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 20481145 FPTYEHNGERTTEG-LJQANCHMSA-N 311.425 4.456 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 20492818 MTGFVTSZVFAVON-CQSZACIVSA-N 317.816 4.074 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@H](c2ccccc2)CC3=O)c1 20632792 CLYDGDKYRQDOHS-INIZCTEOSA-N 302.377 4.093 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1(C)C 23763310 YAUAFGPTXQMMON-SMDDNHRTSA-N 315.442 4.315 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CCCc2ccccc21 30752517 VRXDHXINVDHNLZ-RBUKOAKNSA-N 323.436 4.346 0 40 DIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 30873888 MJUSZMQZCVZUHP-UONOGXRCSA-N 315.438 4.053 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccncc1 36661927 SZWQSFJMTVMDNI-OAHLLOKOSA-N 320.314 4.078 0 40 DIAB CSc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 40062118 LQQQSFOLQCCLNT-UHFFFAOYSA-N 300.358 4.281 0 40 DIAB CCOc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1 40095576 DTYFPAWKTMCOIO-UHFFFAOYSA-N 318.804 4.403 0 40 DIAB CC(C)Oc1ccc(NC(=O)CCCc2cccs2)cc1 40122328 DTAXPARLVOXXMC-UHFFFAOYSA-N 303.427 4.497 0 40 DIAB Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2cc(C)no2)c(C)c1 47323637 WXZNTENEIGSMND-OAHLLOKOSA-N 313.401 4.277 0 40 DIAB c1cn2cc(CSc3nnc(C4CCCCC4)o3)nc2s1 64308343 BONKQGKFSUIUOM-UHFFFAOYSA-N 320.443 4.119 0 40 DIAB C[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 72346752 FVSYTONOTZBKMN-KSSFIOAISA-N 319.408 4.030 0 40 DIAB C[C@@H]1C[C@@H](C)CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C1 72393365 DPNZUHQWLYTKES-GHMZBOCLSA-N 311.351 4.060 0 40 DIAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)C2CC=CC2)n1 76042865 IBKBWXJLBLBWOY-AWEZNQCLSA-N 318.486 4.460 0 40 DIAB COc1ccc(C(=O)c2ccc(OC(C)(C)C)cc2)c(OC)c1 95916092 VIBYFJZLIDKOEL-UHFFFAOYSA-N 314.381 4.112 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 100834890 KQHKTVIACXVCOT-QGZVFWFLSA-N 322.799 4.296 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1F 113954036 HJJRPDUOBOIRAG-AWEZNQCLSA-N 307.752 4.275 0 40 DIAB O=C(C1CCC1)N1CCS[C@H](c2ccccc2Cl)CC1 206994274 UAAPVXSBVQSEJN-HNNXBMFYSA-N 309.862 4.147 0 40 DIAB CC[C@H](NC(=O)COc1ccccc1F)c1ccc(C)cc1C 222778455 PXHJZCYGOIDUNG-KRWDZBQOSA-N 315.388 4.089 0 40 DIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2)cc1C 223638466 RXWRFXTUFYUQQR-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB Cc1ccc(Nc2ccc(NC(=S)NC(C)(C)C)cn2)cc1 223883678 VQPLPRSTLXPDKP-UHFFFAOYSA-N 314.458 4.219 0 40 DIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225601167 VHCYSZLQLFTIBU-LJQANCHMSA-N 313.397 4.019 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866832 RWZZMFLNWOAJJU-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB COc1ccc(CNC(=S)c2ccc(C(C)(C)C)cc2)cc1 408573876 POZLNIKHBNKDFZ-UHFFFAOYSA-N 313.466 4.458 0 40 DIAB CN(C)[C@H](Cc1cccc2ccccc12)C(=O)c1ccccc1 3282644 VXUNQMTYCBKKNH-HXUWFJFHSA-N 303.405 4.195 0 40 DIAB CN(Cc1cccs1)C(=O)CCCc1c[nH]c2ccccc12 3422789 MDBSSVHKULYJAD-UHFFFAOYSA-N 312.438 4.211 0 40 DIAB Cc1ccc(NC(=O)COc2cccc(Cl)c2)c(Cl)c1 3516059 KFSBNXLZOWUUMI-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 3524103 WNFQJTGGUOXHIL-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB Cc1cc(C)c2sc(NC(=O)c3ccccc3F)nc2c1 4331323 GTXJAAAYHYUFOP-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB C1=C[C@@H]2[C@H]3C4C=C[C@@H]5C([C@@H]3[C@H]2c2cn(-c3ccccc3)nc21)[C@@H]5C=C4 5722041 XVWJOZCUCAQNFB-SYJCEFCHSA-N 324.427 4.463 0 40 DIAB CC(C)c1ccc(NC2=NC(=O)[C@@H](Cc3ccccc3)S2)cc1 5807932 QQONAMSDPPMRRR-QGZVFWFLSA-N 324.449 4.463 0 40 DIAB c1ccc2c(c1)c1ccccc1n2CCOCCN1CCCCC1 6590774 SWNAONRHQNNSRG-UHFFFAOYSA-N 322.452 4.297 0 40 DIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)s1 7112682 MVJQQPPESQDFLD-KRWDZBQOSA-N 324.405 4.416 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 7274720 VZQAFYRKZTYETB-UHFFFAOYSA-N 315.442 4.369 0 40 DIAB CC[C@@H](C)NCc1ccc(OCCc2ccccc2)c(OC)c1 7540101 XBOACPYBXFRDJF-MRXNPFEDSA-N 313.441 4.205 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(CO)c1 8166140 YOIWVGCCMNWINA-FNORWQNLSA-N 322.191 4.138 0 40 DIAB Cc1ccc(CN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)o1 8508772 WFAUPSRQILDIDP-UHFFFAOYSA-N 319.404 4.456 0 40 DIAB C[C@H]1Cc2cc(CNc3ccc(Br)cc3)ccc2O1 10299592 JVXIYLBNLFYHNQ-NSHDSACASA-N 318.214 4.385 0 40 DIAB COc1ccc(NCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1 12144306 QHZGSFPYFGFDIT-UHFFFAOYSA-N 322.408 4.272 0 40 DIAB CCCc1cc(N[C@H](C)CC)n2nc3nc(C)cc(C)c3c2n1 12374431 ZPJPXJKJLSSXMA-GFCCVEGCSA-N 311.433 4.057 0 40 DIAB C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 12876427 MOSJXGGRNZRCHV-SNVBAGLBSA-N 324.211 4.404 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H]1CCSc2ccccc21 12993985 XSICFTBODXHAKR-CYBMUJFWSA-N 302.374 4.184 0 40 DIAB CC1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 14268858 WNWQJXUPNKULDR-UHFFFAOYSA-N 318.804 4.422 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OC 20104829 ZLSILNHNNNEGGL-HNNXBMFYSA-N 319.788 4.145 0 40 DIAB Cc1ccc(NC(=O)CSCc2ccccc2F)c(C)c1 23410901 PLWGGLGJWJEWNR-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB C[C@H](Nc1ccc2c(c1)CCC2)c1nnc(-c2ccccc2)o1 24518465 VRTWCCBOUCUYEZ-ZDUSSCGKSA-N 305.381 4.398 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 30856103 ZJGZIEKHCXRVHA-CQSZACIVSA-N 317.816 4.074 0 40 DIAB C[C@@H]1Sc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2OC1=O 35327025 ZUSOEMSJWKMNET-VIFPVBQESA-N 308.443 4.387 0 40 DIAB COc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 40087991 XOTVYDSOFLAZRJ-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB Cc1cc(CS[C@@H](C)C(=O)Nc2cccc(Cl)c2C)no1 40511811 FREKCQVSFKRQSE-NSHDSACASA-N 324.833 4.205 0 40 DIAB C[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 43881894 XLNHOWUOPDSOEI-MRVPVSSYSA-N 312.266 4.126 0 40 DIAB Clc1ccccc1N1CCN(C2=Cc3ccccc3CC2)CC1 55145713 RWOJTWXGHWXWQB-UHFFFAOYSA-N 324.855 4.449 0 40 DIAB CCCCO[C@H](C)C(=O)N(c1ccc(OC)cc1)[C@H](C)C1CC1 60306493 MVQNPLBVEHFPCI-HUUCEWRRSA-N 319.445 4.032 0 40 DIAB Cc1csc(-c2cccc(OCc3c(C)noc3C)c2)n1 65567229 QKCQWUBLONNTDL-UHFFFAOYSA-N 300.383 4.302 0 40 DIAB COc1ccncc1NC(=O)c1sc2ccccc2c1Cl 65609840 NBTLPYRLFMMNGO-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Cc1ccccc1CN(Cc1ccccc1C)C[C@H]1CCCCN1 72203914 UQNFHPFTLKATHV-JOCHJYFZSA-N 322.496 4.448 0 40 DIAB Cc1cccc([C@H]2CCCCN2C(=O)OCc2ccccc2)n1 72211108 BHJIIJDFXVZABR-GOSISDBHSA-N 310.397 4.254 0 40 DIAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 89774593 LHKULIIYYBBOJO-HUUCEWRRSA-N 317.841 4.090 0 40 DIAB COc1cccc(F)c1[C@H](C)Nc1ccc(OC(F)F)cn1 89904508 MVJGFLOZKHKCMU-VIFPVBQESA-N 312.291 4.004 0 40 DIAB COc1ccc2cc(C(=O)c3c(OC)cccc3OC)ccc2c1 95917099 JETGLVNUJOFHOG-UHFFFAOYSA-N 322.360 4.097 0 40 DIAB C[C@@H](N[C@@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F 95986420 JHEZRMXBVUXTNG-BZNIZROVSA-N 307.388 4.136 0 40 DIAB CCc1cccc(N[C@H](C(=O)N(CC)CC)c2ccccc2)c1 98081199 XCURPJFTCLPPHN-IBGZPJMESA-N 310.441 4.271 0 40 DIAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 101209870 DRJPBGGCOIZUGK-ROUUACIJSA-N 305.377 4.033 0 40 DIAB O=C(c1ccsc1)N1CCCC[C@H](c2ccc(F)cc2)C1 211080264 CMEAJZZEBINZTD-AWEZNQCLSA-N 303.402 4.297 0 40 DIAB CC[C@H](NC(=O)c1cccc(F)c1)c1ccc(OC)c(C)c1 224960506 MXJVJHXITGGUCY-INIZCTEOSA-N 301.361 4.024 0 40 DIAB CC(C)C(NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)C(C)C 225430442 VATQUJLBFGKTOC-HNNXBMFYSA-N 317.473 4.130 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225651949 BECAPLDYKONLIZ-LJQANCHMSA-N 319.445 4.460 0 40 DIAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccsc2)o1 575610935 REHDRDGLPLPQKB-UHFFFAOYSA-N 315.369 4.006 0 40 DIAB COC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1 1184 CLJAWWBXVXWHFD-UHFFFAOYSA-N 304.773 4.337 0 40 DIAB COc1ccc2nc(-c3ccccc3)nc(N3CCCCC3)c2c1 338350 GLFRULYXOVXUCG-UHFFFAOYSA-N 319.408 4.296 0 40 DIAB O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 3200123 SIKSRWUDOJGIIK-UHFFFAOYSA-N 307.437 4.101 0 40 DIAB CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(F)cc2)CC1 3239742 QMGXPYHZBCDBNM-UHFFFAOYSA-N 320.404 4.404 0 40 DIAB COc1cc(C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1OC 3359832 MNLRPPDKSXKDSP-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1ccccc1C(=O)Nc1nc2c(F)cc(F)cc2s1 4325456 LQTJZFRQLNZIME-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB CSc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 5299147 NHIGBQNATXXWJH-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 5470661 ZEFGYZYTPNQVFY-ATVHPVEESA-N 323.417 4.486 0 40 DIAB O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(C(F)(F)F)c1 5568882 SZVLUONEASWAGO-TUAOUCFPSA-N 312.335 4.263 0 40 DIAB O=C(NC1CCCCC1)NC(c1ccccc1)c1ccccc1 6864036 BMXJCSILSTXRNB-UHFFFAOYSA-N 308.425 4.408 0 40 DIAB Cc1nc2ccc(C(=O)N[C@H](C)Cc3cccs3)cc2s1 12203999 ZMGSFYJXUXLXKO-SNVBAGLBSA-N 316.451 4.027 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21 14400058 GPAQXEJCOUSFSK-OAHLLOKOSA-N 323.436 4.341 0 40 DIAB c1ccc([C@@H]2c3ccsc3CCN2CCc2ccncc2)cc1 15033311 KSFFVFSOJVPNJC-HXUWFJFHSA-N 320.461 4.333 0 40 DIAB COc1ccc(-c2cnc(NC(=O)c3ccccc3)s2)cc1 16844936 ILINWYAISCVWAF-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1 20025701 WCPDORJIWGCXTO-LLVKDONJSA-N 323.314 4.205 0 40 DIAB Cc1cccc(NC(=O)c2c(C)nn(CC(C)C)c2Cl)c1 20890941 DSJMXYDRQUQXLN-UHFFFAOYSA-N 305.809 4.062 0 40 DIAB c1ccc(CN2CCCC2)c(CNc2nc3ccccc3o2)c1 25249742 HRRQGKNBAIAQLH-UHFFFAOYSA-N 307.397 4.036 0 40 DIAB CC(C)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 27637356 CNBOKLJKGFPPTJ-UHFFFAOYSA-N 319.408 4.307 0 40 DIAB Cc1nc2ccccc2nc1SCc1nc2ccccc2o1 28191286 VCLJSOBIHCEMSI-UHFFFAOYSA-N 307.378 4.372 0 40 DIAB Cc1cccc(N[C@@H](C)C(=O)NCCC2=CCCCC2)c1C 28744054 ZWDOCAXAYZNTJP-INIZCTEOSA-N 300.446 4.111 0 40 DIAB COCCn1c(SCc2ccc(Cl)s2)nc(C)c1C 46028884 MQPCHUKYPOVFKM-UHFFFAOYSA-N 316.879 4.154 0 40 DIAB Cc1cccnc1NC(=O)CSc1ccc2ccccc2c1 60657415 PYJJULQCMRTVRO-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB CCc1cc(-c2cccc(-n3cccn3)c2)ccc1NC(C)=O 67757692 VRHRVEXAYDLBLO-UHFFFAOYSA-N 305.381 4.060 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1cc(F)cc(F)c1 71760989 ODNXJGMHQRZYSR-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB Cc1csc(C2(NC(=O)CCc3ccsc3)CCCC2)n1 71902965 PUZPMCDQPNJGKL-UHFFFAOYSA-N 320.483 4.031 0 40 DIAB COc1ccc2c(c1)c(C(=O)N[C@@H](C)C(C)C)c(C)n2C1CC1 84026925 FMFSLRDTECAQNJ-LBPRGKRZSA-N 314.429 4.068 0 40 DIAB Fc1ccc(-c2cn3nc(NC4CCCCC4)sc3n2)cc1 95951608 VVGZDUIRDKDYGA-UHFFFAOYSA-N 316.405 4.342 0 40 DIAB Cc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 101464090 NNTFSKVPDHOQGX-QXAKKESOSA-N 319.404 4.068 0 40 DIAB COc1ccc(CSCC(=O)Nc2ccc(C)cc2C)cc1 113935179 WCULFANTUGVBEM-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1C 222620467 GDNRZSGFXOITJX-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CCC(CC)NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223341734 LKFDKRMFBSIPIB-GOSISDBHSA-N 303.446 4.028 0 40 DIAB O=C(c1cccc(F)c1)N1CCc2cc(-c3ccncc3)ccc21 225639281 RNFBKZRAIUSJON-UHFFFAOYSA-N 318.351 4.091 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1C 225693939 RCSSQIAZOKRMDE-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CC[C@@H](NC(=S)Nc1cc(C)ccn1)c1ccc(C)c(C)c1 225712763 SSGSQXVVFLADLJ-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)nc1C 225897593 NCLKRKKDZALUAL-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CC(C)c1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 226322420 SQFSHFKKDKPXJX-IZZDOVSWSA-N 309.365 4.160 0 40 DIAB O=C(Nc1cc(F)ccc1Br)OCc1ccccc1 306265078 CUHOEXJFKIJCFS-UHFFFAOYSA-N 324.149 4.337 0 40 DIAB Cc1nc2cc(C(=O)NCCC3=CCCCC3)ccc2s1 408979162 PHNJXDHAQOUARZ-UHFFFAOYSA-N 300.427 4.225 0 40 DIAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775971290 QQGIDKLLNZAHBF-IRXDYDNUSA-N 300.377 4.465 0 40 DIAB O=c1oc2cc(O)ccc2cc1-c1ccc(Cl)cc1Cl 58000 BWLCJPSUKHSVKP-UHFFFAOYSA-N 307.132 4.472 0 40 DIAB biogenic,in-vitro CCN(CC)CCNc1nnc(-c2ccccc2)c2ccccc12 274088 QAKWOHVIPGTTQQ-UHFFFAOYSA-N 320.440 4.051 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1cccc2ccccc12 362291 ZJQLWSCBBATMQT-UHFFFAOYSA-N 319.360 4.269 0 40 DIAB CSc1nc(Oc2ccc(C)cc2)cc(C(F)(F)F)n1 1386983 RYCLYJXXNMYJEI-UHFFFAOYSA-N 300.305 4.318 0 40 DIAB C[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 2298588 SMKKNYUPYASFQV-QGZVFWFLSA-N 307.437 4.246 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2ccc(Cl)cc2)cc1 2517275 LJTOYEWGSIDVCG-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB COc1cc(OC)c(/C=C\c2ccnc3ccccc23)c(OC)c1 4774267 TZZOUOFCPOEBHI-HJWRWDBZSA-N 321.376 4.431 0 40 DIAB O=C(Nc1cc(Cl)cc(Cl)c1)C(Cl)(Cl)Cl 5713178 PAJDRXDZAGNFDG-UHFFFAOYSA-N 307.391 4.302 0 40 DIAB O[C@H](CN1CCCCC1)c1cc(Cl)cc(Cl)c1Cl 6499621 XXUOEGZRYHXTRW-GFCCVEGCSA-N 308.636 4.166 0 40 DIAB Cc1[nH]c2ccccc2c1/C=N/Nc1ccc(C(F)(F)F)cn1 6861352 QIMXZKFCEGJXAM-ZVBGSRNCSA-N 318.302 4.336 0 40 DIAB COc1ccccc1NCc1nc(-c2ccc(Cl)cc2)no1 7115828 XTWXGOACYFNUOE-UHFFFAOYSA-N 315.760 4.011 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1c(C)cccc1C 7547664 FHTOMMPJKVRDLR-SFHVURJKSA-N 324.424 4.176 0 40 DIAB CN(C)C(=O)[C@H](Sc1ccc2ccccc2n1)c1ccccc1 7920774 HRZKMIYMNXMETC-GOSISDBHSA-N 322.433 4.156 0 40 DIAB CCCCOc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1 9190791 ZKWCSTMEEFQKRY-UHFFFAOYSA-N 304.415 4.191 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 10447461 HDGIJGSWMYRDIN-CYBMUJFWSA-N 319.857 4.445 0 40 DIAB COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 10542594 ITDRTICWCZBCCE-UHFFFAOYSA-N 311.381 4.269 0 40 DIAB c1cnc2[nH]c(-c3ccncc3)c(CN3CCCCCC3)c2c1 12337313 IKJZLZPUZQJJLE-UHFFFAOYSA-N 306.413 4.001 0 40 DIAB Fc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 12524448 MWUMEUOBDPYUMW-UHFFFAOYSA-N 311.405 4.067 0 40 DIAB CCCn1c(NCc2ccccc2OCC)nc2ccccc21 13361848 KDLRHHOKEKESOL-UHFFFAOYSA-N 309.413 4.457 0 40 DIAB Cc1nn2c(Cl)c3c(nc2c1-c1ccc(F)cc1)CCCC3 13564275 DXTXHXOPMOSTLJ-UHFFFAOYSA-N 315.779 4.376 0 40 DIAB S=C(Nc1ccccc1)N(Cc1ccccc1)c1ccccn1 16739885 IGCOPWNVIOJWHX-UHFFFAOYSA-N 319.433 4.485 0 40 DIAB Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2Cl)cc1 19774258 HDJZEZGFBSKPMP-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB CCc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 19910159 GHMCOEYIXILLEH-UHFFFAOYSA-N 306.394 4.082 0 40 DIAB O[C@@H](c1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 19944857 KKJGAZRIFJEPKA-SFTDATJTSA-N 303.405 4.251 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)c2cc(F)ccc2F)cc1C 22540233 RFGRIBUYKCYGDB-ZDUSSCGKSA-N 303.352 4.381 0 40 DIAB COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1OC 26571943 WBJJZQPBEADKNL-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB C[C@@H](NC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1 28409678 YMCGBRUZBBNJDA-SECBINFHSA-N 312.797 4.101 0 40 DIAB O=C(NOCc1ccccc1)c1cc2c(ccc3ccccc32)[nH]1 32992441 WZFSRKUZCMHTKR-UHFFFAOYSA-N 316.360 4.183 0 40 DIAB Cc1cc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c(C)o1 36662589 GSONRFGZVCOSHT-UHFFFAOYSA-N 315.300 4.048 0 40 DIAB Nc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Cl 40162485 GJJDMBHOCIJURT-UHFFFAOYSA-N 304.821 4.077 0 40 DIAB Cc1cc(C)c2oc(-c3cccc(-n4cnnc4)c3C)nc2c1 45920650 FETHUZLRWYPCBI-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccccc1 58152712 MJQCRUHTDLGQFO-INIZCTEOSA-N 319.452 4.399 0 40 DIAB CNc1nc2c(s1)[C@@H](c1ccccc1OC(C)C)CC(O)=N2 61717578 PXGGROQAGCMABZ-LLVKDONJSA-N 317.414 4.096 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2cccc(F)c2C)c1 71325988 IAYHXOHCUFEYQL-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1[nH]c(=S)c(C(=O)Nc2ccccc2)c2c1CC[C@H](C)C2 95117563 YRQWHFROLPZGQX-NSHDSACASA-N 312.438 4.430 0 40 DIAB CSc1cccc([C@@H](O)c2ccccc2Br)c1 95730161 JJPJUFPAMJCTGW-CQSZACIVSA-N 309.228 4.253 0 40 DIAB CC(C)C(=O)N1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 96241707 GAGWDYGPSWMIBH-UHFFFAOYSA-N 323.436 4.409 0 40 DIAB Cc1ccccc1OCCNC(=O)C1(c2ccccc2)CCCC1 195533932 BXWBRNKTAHYZTF-UHFFFAOYSA-N 323.436 4.002 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccccc1 223860217 DHBGODSCTVFQAO-HNNXBMFYSA-N 303.789 4.230 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCCOc1ccc(C)cc1 224143214 XMHSKVDHKKAQFX-KRWDZBQOSA-N 305.462 4.487 0 40 DIAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225504494 JBCICKJDWKVACO-UHFFFAOYSA-N 309.409 4.454 0 40 DIAB CC[C@H](NC(=S)Nc1cc(C)ccn1)c1ccc(C)c(C)c1 225712790 SSGSQXVVFLADLJ-INIZCTEOSA-N 313.470 4.445 0 40 DIAB O=C(c1ccc(Br)s1)C(Cl)(Cl)Cl 307627158 IONPYSJHPJYCKI-UHFFFAOYSA-N 308.411 4.064 0 40 DIAB COc1ccc(CCCC(=O)Nc2cc(F)ccc2C)cc1C 408916228 WGYPWYSRPHBSDY-UHFFFAOYSA-N 315.388 4.413 0 40 DIAB O=Cc1ccc(-c2ccc(C(=O)OCc3ccccc3F)cc2)o1 409177512 BNQYVFOCHRQELJ-UHFFFAOYSA-N 324.307 4.255 0 40 DIAB CCCc1nn(-c2ccccc2F)c2c1C(=O)CC(C)(C)C2 107106 UEJLXWHHFUUQHB-UHFFFAOYSA-N 300.377 4.119 0 40 DIAB CCOC(=O)c1cnc2ccc(C)cc2c1NC1CCCCC1 144051 WKYKJVWOLVDDTN-UHFFFAOYSA-N 312.413 4.465 0 40 DIAB CCn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O 149247 FIQQPWNZJGSAHV-UHFFFAOYSA-N 304.802 4.107 0 40 DIAB CC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 217204 CBPHAOPIJKCYCE-UHFFFAOYSA-N 319.408 4.073 0 40 DIAB biogenic O=C(Nc1ccc2ccccc2c1)Nc1ccc2snnc2c1 312848 NVXZEOZGOJOULQ-UHFFFAOYSA-N 320.377 4.489 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2Br)c(C)c1 351312 XNRNUQJDXNCOCR-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB O=C(Nc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)cc1 387279 BKOLAGZLRDYXPU-UHFFFAOYSA-N 308.356 4.438 0 40 DIAB O=C(COc1cccc2ccccc12)N1CCCc2ccccc21 508801 YVCZRSKHKJOKFT-UHFFFAOYSA-N 317.388 4.198 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccc(Br)c(C)n2)c1 512868 AUUQACKWGMJMTJ-UHFFFAOYSA-N 319.202 4.022 0 40 DIAB Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2[nH]1 4138115 SMCYFQRZGHGFJH-UHFFFAOYSA-N 306.409 4.115 0 40 DIAB CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@@H]2c2c(C)ccc(C)c21 4580991 TYUKGNSLZLNRDL-NIJYGQNUSA-N 313.441 4.227 0 40 DIAB Cc1nn2c(c1-c1ccccc1)N=N[C@H](Nc1ccccc1)C2=O 5587331 MJMQSWVHQUIJNX-INIZCTEOSA-N 317.352 4.034 0 40 DIAB COc1ccccc1-n1cnnc1SC/C=C/c1ccccc1 6534763 MMOVAWYKZWUEBY-JXMROGBWSA-N 323.421 4.081 0 40 DIAB CCc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 6811363 IMFIKEQRMJBYMC-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2Cl)cc1C 6881008 XYHWQDLPXYAHRN-UHFFFAOYSA-N 316.832 4.027 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 7053054 RYAXOCIHOXYIMZ-UHFFFAOYSA-N 303.427 4.057 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)c1cnc2ccccc2n1 7212345 PAWXGSZMBHGTJX-UHFFFAOYSA-N 305.381 4.314 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8050343 MLGPMYFVJQKWIP-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB COc1ccc(-n2c(-c3ccncc3)nc3ccccc32)cc1 8719471 UZAPBYKRHSVSLN-UHFFFAOYSA-N 301.349 4.096 0 40 DIAB Cc1cc(C)c2oc(-c3cc(NC(=O)C(C)C)ccc3O)nc2c1 9341408 CDTGZGNXXFIDJU-UHFFFAOYSA-N 324.380 4.412 0 40 DIAB Cc1cnc(NC(=O)c2cc(C3CC3)nc3ccccc23)s1 9377041 SBVXJRJTQZZLSS-UHFFFAOYSA-N 309.394 4.129 0 40 DIAB O=C(CCCc1cccs1)N1CCc2[nH]c3ccccc3c2C1 9901222 DOMAMQGZRBQQHN-UHFFFAOYSA-N 324.449 4.137 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1ccc(F)cc1 10381904 KSRXMWJFJSTVSU-UHFFFAOYSA-N 324.359 4.272 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 11636902 CHIJBSAIBIBAOS-GOSISDBHSA-N 313.397 4.054 0 40 DIAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1 12994553 JDIPXXFUEISRBA-JTQLQIEISA-N 301.292 4.202 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NOCc1ccccc1 14601582 DAAFQDBTWVWWGC-UHFFFAOYSA-N 317.388 4.144 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc2cccnc12 15835445 NCDBKGQHDOIURG-INIZCTEOSA-N 324.355 4.170 0 40 DIAB Clc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 15953109 DWGABXRXMISFEC-UHFFFAOYSA-N 313.833 4.191 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1C 20485080 QWTRICNQTVJGII-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1 20632695 ORCLEJYCQQXCQM-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB O=C1CCCN1c1cccc(-c2csc(-c3ccco3)n2)c1 24926200 IDHMFNBLTNJMFP-UHFFFAOYSA-N 310.378 4.197 0 40 DIAB COc1ccc([C@@](O)(CCC(C)C)CCN2CCCCC2)cc1 27346658 OGYWOXUACVUXHL-HXUWFJFHSA-N 319.489 4.195 0 40 DIAB Cc1ccc(-[n+]2cc(-c3cccs3)n3c2SCCC3)cc1 27788714 XSKIZMMIFXYNGO-UHFFFAOYSA-N 313.471 4.298 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2[nH]1 32760325 ZNOVCPKHWZDESG-LLVKDONJSA-N 310.784 4.413 0 40 DIAB CCCCOC(=O)c1cc(OCCCC)nc2ccccc12 36430784 ZPIBVASLHDCEHZ-UHFFFAOYSA-N 301.386 4.371 0 40 DIAB O=C(Cc1ccccc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 36620717 UBHBOUHISDIHGG-QGZVFWFLSA-N 317.791 4.385 0 40 DIAB COc1cc(Cl)c(C)cc1N[C@H](C)c1nc(C(C)C)no1 40059763 UYQJJADGVZYXSE-SNVBAGLBSA-N 309.797 4.337 0 40 DIAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 40095570 HPZUYMSBERKLJG-NSHDSACASA-N 320.339 4.246 0 40 DIAB CCCCc1ccc(NC(=O)COc2cccc(OC)c2)cc1 40946371 UIJVCTQQLKSDBL-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccs1 48339802 CEWRCQMFRVULEN-UHFFFAOYSA-N 300.210 4.327 0 40 DIAB Cc1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 57712468 GFUZJEWAPQQGHC-MRXNPFEDSA-N 318.420 4.326 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)NCc1ccccc1 58131379 FHIHRBGMROQCIZ-HZPDHXFCSA-N 310.441 4.317 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccccc2F)S1 71287041 DPQBYFGZGBLDNC-CYBMUJFWSA-N 305.378 4.195 0 40 DIAB CC(C)Oc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72211987 LKDIXGXGUQSVAU-HNNXBMFYSA-N 320.433 4.331 0 40 DIAB Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)ccn1 72219488 MZCKTWQGXLPQIP-GOSISDBHSA-N 310.397 4.254 0 40 DIAB Cc1cc(SC(C)(C)C)ncc1CNC(=O)OC(C)(C)C 72223859 IWGGFYDVABGHCP-UHFFFAOYSA-N 310.463 4.305 0 40 DIAB CC(C)Oc1cc(C(=O)N(C)Cc2ccco2)cc2occc12 72240170 FYZUMZMYJLKHPY-UHFFFAOYSA-N 313.353 4.085 0 40 DIAB COc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)ccc1O 85384211 ZGWRFPXLLQWFPQ-UHFFFAOYSA-N 323.396 4.150 0 40 DIAB COc1cc(C)c([C@@H](C)Nc2ccncc2Cl)cc1OC 97012353 QCZFXRZRNBJDCP-LLVKDONJSA-N 306.793 4.234 0 40 DIAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106925312 YEQUGIJYZILWFP-FHIRATQRSA-N 317.860 4.313 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 216888817 IURXXHOLEFKXBN-CSKARUKUSA-N 316.784 4.414 0 40 DIAB Cc1ccc(S[C@@H](Cc2c(C)cccc2C)C(=O)O)cc1 225032166 ACGKHEVLLLGCNJ-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225736245 ROSLOKHIELTWNA-IBGZPJMESA-N 321.461 4.482 0 40 DIAB CCOC(=O)c1cc(-n2cccc2)ccc1N1CCCC[C@H]1C 226277453 GHOUDGHGYIRIJW-OAHLLOKOSA-N 312.413 4.033 0 40 DIAB COc1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1N 226293488 TZMMSEUQSGWTQZ-UHFFFAOYSA-N 303.361 4.175 0 40 DIAB CCOc1ccc(CNc2cccc(N=S(C)(C)=O)c2)cc1 585118652 XMKAEVBMYOODJH-UHFFFAOYSA-N 318.442 4.057 0 40 DIAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccco1)c1cccs1 585146789 PWBLCQGRHJEDLP-SIFUEBAJSA-N 323.417 4.303 0 40 DIAB C[C@@H]1CCCN(c2cc(C(F)(F)F)c3cccc(O)c3n2)C1 685938625 XSAIPUVASWHSQL-SNVBAGLBSA-N 310.319 4.196 0 40 DIAB O=C(CSC1CCCC1)NCc1cc(-c2ccco2)cs1 1888913791 WXTXLDRZOFRWLP-UHFFFAOYSA-N 321.467 4.300 0 40 DIAB Cc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1C 87138 AWPAJRFNDHQYNS-UHFFFAOYSA-N 323.421 4.261 0 40 DIAB CO[P@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(F)cc1 547847 XBRSJZRDJLPUJU-VOMJYIIZSA-N 306.273 4.412 0 40 DIAB Cc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1C 578823 UOJQKXCMNCVLML-UHFFFAOYSA-N 320.392 4.018 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 1393197 YRRLMBMIMNNHKT-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB Cc1cc(OCc2ccc(-c3nnco3)cc2)ccc1Cl 3256234 PUNRUDQQSVEYPF-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB O=C(CCc1nc2ccccc2s1)OCc1ccccc1F 3259360 WFCNFUBBELDVGC-UHFFFAOYSA-N 315.369 4.111 0 40 DIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccnc1Cl 3341384 RLTKUAHANJNIMV-UHFFFAOYSA-N 316.571 4.399 0 40 DIAB O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1ccc(Cl)cc1 5066476 ZUAIXFPKIUQWRR-FUHWJXTLSA-N 310.784 4.457 0 40 DIAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)C1CCCC1 5083478 QUEHZBCRLAADTC-UHFFFAOYSA-N 311.410 4.192 0 40 DIAB CC(C)c1ccccc1OCC(=O)Nc1cccc(Cl)c1 5414216 JLPWZBBMXWVURY-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(Br)cc1 5559380 IDGLJBJXNIZLAM-JTQLQIEISA-N 322.177 4.079 0 40 DIAB O=C1CCCC[C@H]1Sc1nnc(Nc2ccccc2F)s1 6474008 DFJPCIGDXVSMRU-GFCCVEGCSA-N 323.418 4.025 0 40 DIAB CCOc1cc2c(cc1OCC)[C@@H](C1CCCCC1)NCC2 6595649 XOUHJVHSCZPGNA-LJQANCHMSA-N 303.446 4.251 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 6828740 ZNPZZRYCWATNQP-RWEMILLDSA-N 315.269 4.468 0 40 DIAB Cc1cccc(C)c1NC(=O)CSCc1ccc(F)cc1 7146545 RCIAMSUPXZMMNO-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1ccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1 7975137 XGYIYUNTMLLMLN-AWEZNQCLSA-N 310.397 4.081 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(-c2ccc(F)cc2)o1 9911185 HIDWDBPCTWRALA-UHFFFAOYSA-N 313.303 4.155 0 40 DIAB CSc1ccccc1NC(=O)c1ccc(OC(C)C)cc1 10511816 XKPWBSIIEKLWMY-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB CC(C)CC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 12296637 FNUSWOJFUOYEFE-UHFFFAOYSA-N 321.376 4.445 0 40 DIAB biogenic CCCc1cc(N[C@@H](C)CC)n2nc3nc(C)cc(C)c3c2n1 12374430 ZPJPXJKJLSSXMA-LBPRGKRZSA-N 311.433 4.057 0 40 DIAB CCc1ccc(N[C@H](c2ccc(C)cc2C)P(=O)(O)O)cc1 12540647 ZRNHPTWDBAZALF-KRWDZBQOSA-N 319.341 4.154 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(Cl)c1 12745313 MNHNEYQVULWQHE-UHFFFAOYSA-N 306.818 4.318 0 40 DIAB Cc1c(C(=O)Nc2ccccc2)cnn1-c1ccc(Cl)cc1 12900087 YQDDCHTXIXFIMC-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB COc1ccc(NC(=S)Nc2ccccc2C)cc1Cl 13935118 YGXMMJDXDUVDKP-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=O 16750081 WQLKVFGXRXMNPE-UHFFFAOYSA-N 320.392 4.447 0 40 DIAB CN(C)C(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1 17066362 AGHWYMHWSQHMKC-UHFFFAOYSA-N 324.207 4.274 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 18175837 QSWKALVCWRTRFW-GOSISDBHSA-N 310.397 4.373 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2ccc(F)c(F)c2)no1 19119389 LZVKHXTXKXFSLL-QGZVFWFLSA-N 306.356 4.379 0 40 DIAB COc1ccc(CN[C@@H](c2cccs2)C(C)C)c(OC)c1 35016958 AHFIUEXVCGUSMJ-QGZVFWFLSA-N 305.443 4.252 0 40 DIAB CCOCc1ccccc1CNC(=O)Nc1cc(C)cc(C)c1 40097769 ITVFAXPQFQWTSO-UHFFFAOYSA-N 312.413 4.162 0 40 DIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 40895914 LWTCEQHBTMPRBZ-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CC1CCN(C(=O)c2cccc(-c3nc4ccccc4o3)c2)CC1 41127526 JJDUXYHEEPZQNF-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1scnc1C 43268939 KWMZMAGXLJPHJK-UHFFFAOYSA-N 308.834 4.482 0 40 DIAB O=C(NCc1ccc(F)cc1)/C(=C/c1ccco1)c1ccccc1 44842052 JJZVCIAZEYERKS-CPNJWEJPSA-N 321.351 4.276 0 40 DIAB CCOc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1 44847585 FBVUDLKJDOYLLN-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB O=C(Nc1ccc(OC2CCCC2)cc1)NC1CCCCC1 58895510 UNHDHOGEORKMHP-UHFFFAOYSA-N 302.418 4.462 0 40 DIAB O=C(Nc1ccc2ncccc2c1)c1cc2c(F)cccc2[nH]1 72010317 OKYUHILYLWXRDF-UHFFFAOYSA-N 305.312 4.108 0 40 DIAB Fc1ccccc1[C@H](Cc1ccccc1)NCc1ccccn1 77454232 MSZQZRADFXCNAK-FQEVSTJZSA-N 306.384 4.294 0 40 DIAB Cc1nc(C)c(C[S@@](=O)c2ccc3ccccc3c2)s1 83078060 LPZSPTLXJZCPHR-FQEVSTJZSA-N 301.436 4.221 0 40 DIAB Cc1noc(C)c1COc1ccccc1N1CCC[C@H](C)C1 84025434 HJZBBEDJELXSKL-ZDUSSCGKSA-N 300.402 4.107 0 40 DIAB O=C(CCc1ccccc1O)Nc1ccc(-c2ccccc2)cn1 84562658 WCQIIIMWGBNQFT-UHFFFAOYSA-N 318.376 4.026 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H](c1ccccc1)c1ccncc1 106900492 SQOFHEXURVHRHX-LDBRAYGESA-N 320.436 4.114 0 40 DIAB Cn1cnc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc21 162877381 KZYMQMLLVDTQEZ-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccccc2OC(C)C)cc1 219739567 TXEAKMMLBDJDHF-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB Cc1ccc2[nH]c(C3=CCN(Cc4ccccc4)CC3)nc2c1 226250734 GNVOSPNELWGZHO-UHFFFAOYSA-N 303.409 4.161 0 40 DIAB CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2C)n1 408726759 UDROADRJVNKXMZ-UHFFFAOYSA-N 320.392 4.333 0 40 DIAB CCOc1ccc(NC(=S)c2ccc3ccccc3n2)cc1 301767 IASFJBXCNOUNBF-UHFFFAOYSA-N 308.406 4.421 0 40 DIAB CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 516371 BMNMYXAYJAUVSC-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB COc1ccc(CSCc2nc3ccccc3[nH]2)cc1OC 1447019 DLNLAGVFHNZMIJ-UHFFFAOYSA-N 314.410 4.014 0 40 DIAB O[C@]12c3ccccc3[C@@H]1CCCCCCCCCC21OCCO1 1634661 JIKKDOWIZOYPTG-PXNSSMCTSA-N 316.441 4.239 0 40 DIAB CCN(CC)CCCN[C@@H](Cc1ccccc1)c1ccccc1 1665695 MQOFTYLTYOIKJL-NRFANRHFSA-N 310.485 4.292 0 40 DIAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2F)cc1 3547762 OLSOZOKEETWMLZ-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CSc1nc(-c2sccc2OCc2ccc(C)cc2)n[nH]1 5738473 AYCPBZQNSMAHNW-UHFFFAOYSA-N 317.439 4.143 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCC1CCCCC1 6010761 YLPAYXRLJJLRGQ-HNNXBMFYSA-N 311.425 4.304 0 40 DIAB COc1ccc(CNC(=O)C2CCC(C(C)(C)C)CC2)cc1 6378211 OGYHGRMBIVCKRG-UHFFFAOYSA-N 303.446 4.164 0 40 DIAB Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1C1CC1 6553707 CCWSXCLDJGEWQY-UHFFFAOYSA-N 303.789 4.355 0 40 DIAB Cc1cc(O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 6988753 AMXVVDXXEGHWSV-KRWDZBQOSA-N 315.800 4.047 0 40 DIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1Cl 7804711 MVBSANOPEQRWAC-UHFFFAOYSA-N 321.823 4.425 0 40 DIAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1C[C@H](C)C[C@@H](C)C1 7811089 FSIXEABZFZUHLX-OAGGEKHMSA-N 310.441 4.145 0 40 DIAB COc1ccc(CC(=O)Oc2ccc3ccccc3c2)cc1F 7919678 ROLBLLSOKMTQLU-UHFFFAOYSA-N 310.324 4.136 0 40 DIAB c1cc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cs1 8102556 WPXIOXDXPXERJY-UHFFFAOYSA-N 301.392 4.310 0 40 DIAB Cc1cccc(-c2nc(C)cc(Nc3ccccc3C(=O)O)n2)c1 8702971 UNMNNDLUDUAOGR-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB CCC(CC)C(=O)Nc1nnc(CSc2ccccc2)s1 9196849 MYELZWKCGXSYBQ-UHFFFAOYSA-N 321.471 4.205 0 40 DIAB O=C(CCOc1ccccc1)Nc1ccc(C(F)(F)F)cc1 9586906 WTZAZYPXLJXFRJ-UHFFFAOYSA-N 309.287 4.113 0 40 DIAB CCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 12623795 BCEXYIRITDUTMP-UHFFFAOYSA-N 307.315 4.198 0 40 DIAB Cc1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n(C)n1 12794897 WJSJPGYLMMTBMP-UHFFFAOYSA-N 304.806 4.249 0 40 DIAB Brc1ccccc1CN1C=C[C@H](c2ccccc2)O1 12959711 UQURVZFEZRYKFY-MRXNPFEDSA-N 316.198 4.451 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1F 12994908 FYMPFDZUCSDUDS-MRXNPFEDSA-N 303.764 4.360 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 14022714 FNVRLYNVIZIEMV-QGZVFWFLSA-N 313.397 4.190 0 40 DIAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccccc2)c1 18090218 AGHLGDYMPYXNOB-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB COc1ccc([C@@H](NC(=O)CCc2ccccc2)C(C)C)cc1 19310796 CTLDDLXHUPVDJQ-FQEVSTJZSA-N 311.425 4.141 0 40 DIAB Fc1ccccc1CN1CCC(c2cc3ncccc3[nH]2)CC1 19348903 ACYJRBMWPPAOHI-UHFFFAOYSA-N 309.388 4.082 0 40 DIAB Cc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1 19936983 SLGKGEPSYPZCFT-UHFFFAOYSA-N 319.364 4.138 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1F 28210900 DXLVCSIUVSVNAQ-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB CCn1c(SCc2cccs2)nnc1-c1ccc(F)cc1 32604341 KHXIGYRKZRTNDE-UHFFFAOYSA-N 319.430 4.458 0 40 DIAB COC(=O)c1occc1/C=C/c1nc2cc(C)c(C)cc2s1 32853597 VTHUVOINMSCILC-SNAWJCMRSA-N 313.378 4.463 0 40 DIAB COc1cccc(CCCc2ccccc2Cl)c1C(=O)O 35973514 RSAHBULAKLKDCK-UHFFFAOYSA-N 304.773 4.222 0 40 DIAB COc1ccc(C(=O)Cc2ccccc2F)c(Br)c1 37444688 IZQQPOSHHPZVJW-UHFFFAOYSA-N 323.161 4.022 0 40 DIAB in-vitro COC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 41080432 BLISATGLMNYUJH-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB CCOc1ccccc1NC(=O)N(C)Cc1cccc(Cl)c1 43333145 CMEYTEBCFSCONO-UHFFFAOYSA-N 318.804 4.403 0 40 DIAB O=C(c1nc2ccccc2s1)N(Cc1ccsc1)C1CC1 44446560 LEHRGHBRTAHVJG-UHFFFAOYSA-N 314.435 4.163 0 40 DIAB Cc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Cl 45920409 PRKGMGPGJUZERV-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(O)c1 54701596 BQDXTCLDCWRDQC-INIZCTEOSA-N 316.788 4.022 0 40 DIAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)N1CCCC1 58157601 NSZJELLPEGWZIX-UZLBHIALSA-N 324.468 4.137 0 40 DIAB O=C(Nc1ccc(OC2CCCC2)cc1)OCC(F)(F)F 58159305 KLDAUSXCSLXUSY-UHFFFAOYSA-N 303.280 4.119 0 40 DIAB c1ccc(-n2ccc(CN3CCC[C@@H]3c3ccsc3)n2)cc1 58162871 JIUYFLNNCJJZHJ-GOSISDBHSA-N 309.438 4.271 0 40 DIAB Cc1nc(NC(=O)Nc2ccc(Cl)c(C)n2)ccc1Cl 62701831 MGWYUFBOTNXBTP-UHFFFAOYSA-N 311.172 4.044 0 40 DIAB CCC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1 69737947 PDCMQJCRBWHSHZ-VAMGGRTRSA-N 320.436 4.111 0 40 DIAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2F)o1 84525465 XRRPYOXCPDKARS-WBVHZDCISA-N 321.351 4.372 0 40 DIAB CCCCC[C@H](CC)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100921780 LBIKQFGVWXYZPI-DOTOQJQBSA-N 314.429 4.201 0 40 DIAB Oc1cccc2c(NC(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cccc12 103202972 NWTJRMZDIJZYEF-XHBSWPGZSA-N 312.438 4.020 0 40 DIAB COc1ccccc1CCCNC(=O)Nc1ccc(Cl)cc1 222633812 GQXICSCWMDPTNE-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C 225260655 LCLXIXHWSMLXKS-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB Nc1cc(C(=O)NC2CC2)ccc1Nc1cccc2ccccc12 225421803 WZHJHHCBCXYHNU-UHFFFAOYSA-N 317.392 4.058 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622202 RVKSKGVWWFXSCP-PBHICJAKSA-N 303.446 4.285 0 40 DIAB CC(C)CCc1ccc(NC(=O)CCc2cncs2)cc1 519283294 UIJAYMOSSCQLLL-UHFFFAOYSA-N 302.443 4.303 0 40 DIAB CCCn1c(Cc2ccc(Cl)c(Cl)c2)n[nH]c1=S 128090 ZDBXYIAYJIOLDG-UHFFFAOYSA-N 302.230 4.248 0 40 DIAB Clc1ccc2c(c1)[C@H](C1=NCCN1)c1ccccc1CS2 347693 HLSOHEMSDNNTJI-MRXNPFEDSA-N 314.841 4.079 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 499169 HIGOSEGHZJWKNV-UHFFFAOYSA-N 315.372 4.478 0 40 DIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1Cl 577976 CTWXELJSCNBTLO-UHFFFAOYSA-N 324.163 4.017 0 40 DIAB CCCCCCC(C(=O)OCC)(C(=O)OCC)c1ccccc1 1562284 XSZKDMUYGWNWKJ-UHFFFAOYSA-N 320.429 4.021 0 40 DIAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1F 2514533 XPPOLCGHRJYWDV-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB Cc1cc(-n2c(S)nnc2-c2ccncc2)ccc1C(C)C 2543630 XDFSWNXPXJMPGB-UHFFFAOYSA-N 310.426 4.050 0 40 DIAB CCN(C(=O)c1ccc(F)cc1)c1nc2c(C)cccc2s1 2651097 KRNVFGQOZXCWEG-UHFFFAOYSA-N 314.385 4.411 0 40 DIAB C[C@@H]1CN(C(=S)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 4815994 MDYOJRKMXJIHFF-HUUCEWRRSA-N 311.450 4.138 0 40 DIAB O=C(c1cccc(Cl)c1)N1CCS[C@@H]1c1ccc(F)cc1 4929230 ZWNJJTUTHAITBI-MRXNPFEDSA-N 321.804 4.367 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2 5442894 FFHCFOSFLQYCGC-KXDMBUCYSA-N 309.453 4.397 0 40 DIAB COc1ccc(NC(=O)c2c(C)nc3ccccc3c2C)cc1 7847532 XPKVYDYYYXFIJV-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CCc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1 8087237 VMIAPGRYSRWTIO-GFCCVEGCSA-N 302.418 4.436 0 40 DIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 9483465 JXNVQYKACRAMMU-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB Cc1ccoc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428338 ISHOJIAKAMAVQG-UHFFFAOYSA-N 317.348 4.179 0 40 DIAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCc2sccc2C1 10923324 WVNDWOLWFXQGAU-DUXPYHPUSA-N 321.804 4.139 0 40 DIAB Cc1ccc2cccc(NC(=O)COc3cccc(C)c3C)c2n1 11917579 HKFFPIZJVXMJTM-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB Cc1c(CN2C[C@H](c3ccccc3)C3(CCCCC3)C2)cnn1C 12233880 YPCDZUZLFZQWPA-HXUWFJFHSA-N 323.484 4.278 0 40 DIAB C[C@H](O)c1ccc(-c2ccccc2NC(=O)c2ccccn2)s1 12816179 UZWYTUXUUXIIIF-LBPRGKRZSA-N 324.405 4.116 0 40 DIAB CN(C(=O)CSCc1cccc(Cl)c1)c1ccccc1 13670466 QDAGOYKUBFOJLH-UHFFFAOYSA-N 305.830 4.236 0 40 DIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(F)cc1 15649019 HZMOYOKNIYMXFO-CYBMUJFWSA-N 323.367 4.479 0 40 DIAB Clc1cccc(Cl)c1CNCc1ccc2c(c1)OCO2 16383731 UHQLEECZWKBMOF-UHFFFAOYSA-N 310.180 4.012 0 40 DIAB CC(C)Oc1ccccc1NC(=O)CCc1ccc(F)cc1 31775315 DOZVNDWJPBOKLD-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB Nc1c(Cl)cc(NC(=O)CCc2cccs2)cc1Cl 32855775 VCPYLMIAUUDAMP-UHFFFAOYSA-N 315.225 4.208 0 40 DIAB Cc1cccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 36748347 SKGGOBZROVYSLO-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB O=C1C[C@@H](c2ccc(Br)cc2)Nc2ccccc21 38538290 MVBJVBQIUSGFKC-AWEZNQCLSA-N 302.171 4.189 0 40 DIAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)oc12 38757214 BPHXKLKCSHEDPY-NSHDSACASA-N 313.328 4.072 0 40 DIAB COCc1ccccc1CNC(=O)Nc1cccc(Cl)c1C 40096506 DOYYQQGNOKKISX-UHFFFAOYSA-N 318.804 4.117 0 40 DIAB CC(C)(C)C(=O)NCc1cccc(Oc2ccc(F)cc2)c1 44226144 SJOYTHGBMVHGRK-UHFFFAOYSA-N 301.361 4.280 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)NC[C@H]1CC=CCC1 58049337 WMJXBHQFBFXJRX-ZDUSSCGKSA-N 309.862 4.046 0 40 DIAB Cc1cc(C(=O)COC(=O)c2sccc2C2CC2)c(C)s1 64124269 LLZWHGVBIQBKSB-UHFFFAOYSA-N 320.435 4.344 0 40 DIAB COc1ccc(-c2cccc3cc(OC)c4c(c23)OCO4)cc1 66091633 PKDXXLGDIJWCPI-UHFFFAOYSA-N 308.333 4.253 0 40 DIAB O=C(Nc1ccncc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 69811288 ADKKMPRVKSNGLN-SFHVURJKSA-N 320.396 4.322 0 40 DIAB C[C@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1csc(C2CC2)n1 74206129 RPYUSFADXAZAQE-WDEREUQCSA-N 319.474 4.054 0 40 DIAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CCc2ccccc2)o1 84191810 RMCBYHCYFXQCRR-JKGDOXCYSA-N 309.409 4.225 0 40 DIAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1c(F)cccc1Cl 95115916 DICSVDXFLYOYEE-CQSZACIVSA-N 322.792 4.238 0 40 DIAB CCOCC1CCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 95959024 LNLKYZMCKHYEMN-DOTOQJQBSA-N 309.494 4.114 0 40 DIAB CC(C)c1ocnc1C(=O)Nc1cccc(NC2CCCC2)c1 96410529 XFTNBGISQUCRLG-UHFFFAOYSA-N 313.401 4.405 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C)c1 113970033 JDRXZBHTMNRYIS-IBGZPJMESA-N 311.425 4.086 0 40 DIAB Cc1ccc(CC(=O)NCCCc2ccccc2Cl)c(C)c1 224268108 LJLQANBGYXNPQB-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB COc1ccc([C@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1 225671330 AKZRXCQQNSJRGO-INIZCTEOSA-N 311.425 4.122 0 40 DIAB O=C(Nc1ccc(F)c(C2CC2)c1)c1ccncc1C(F)(F)F 330032373 MITQCAPNOPGBDO-UHFFFAOYSA-N 324.277 4.369 0 40 DIAB CCOC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 1857790405 SHDMZEFORLEZRH-UHFFFAOYSA-N 323.392 4.243 0 40 DIAB Cc1cc2oc(=O)c(-c3ccc(O)cc3)c(C)c2cc1Cl 57822 WTNXZWKMGHHKFF-UHFFFAOYSA-N 300.741 4.436 0 40 DIAB biogenic CC(C)CCn1c(-c2ccco2)nc2nc3ccccc3nc21 543522 LHCXLRGNQJNONO-UHFFFAOYSA-N 306.369 4.286 0 40 DIAB CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 567911 XCNRTFOFVUJVTG-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB O[C@@H](CN1CCCCC1)c1cc(Cl)cc(Cl)c1Cl 1593646 XXUOEGZRYHXTRW-LBPRGKRZSA-N 308.636 4.166 0 40 DIAB Clc1ccc2c(Br)c(Br)cnc2c1 2381643 CTKIMVBVZVAFNS-UHFFFAOYSA-N 321.399 4.413 0 40 DIAB O=C(/C=C/c1cccs1)Nc1ccc(N2CCCCC2)cc1 2616218 VWHYYXXQFUBKNO-ZHACJKMWSA-N 312.438 4.390 0 40 DIAB CCCN1C(c2ccccc2)=C[C@H](c2ccccc2)n2ncnc21 3147645 MVMGNDBUBUCYQI-LJQANCHMSA-N 316.408 4.139 0 40 DIAB COc1ccc2c(CC(=O)N[C@H](C)CCCC(C)C)coc2c1 3528504 UHXZLAJQUSNDQM-CQSZACIVSA-N 317.429 4.315 0 40 DIAB Cc1csc(NC(=O)c2ccc(COc3ccccc3)cc2)n1 3561882 FISGCTRBRPOUOV-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CCOc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)cc1 4869210 GLZZYONDVHLBEY-UHFFFAOYSA-N 324.424 4.460 0 40 DIAB CCOc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)c(C)c1 5841562 LJHDNTJWZIVKMN-ZDUSSCGKSA-N 314.381 4.283 0 40 DIAB C[C@@H]1CCc2c(sc3nc(/C=C/c4ccccc4)[nH]c(=O)c23)C1 5881022 WNRQIDFIHGAIDK-ZJNQMXKESA-N 322.433 4.280 0 40 DIAB Cn1cnnc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 6085303 HSWNDAZKUDESPO-HNNXBMFYSA-N 315.829 4.350 0 40 DIAB CCCCCCNCc1cc(Br)ccc1OC 6427134 FYDZEYRDEFZIFM-UHFFFAOYSA-N 300.240 4.128 0 40 DIAB CCC(=O)Nc1ccc(-c2csc(NCC(C)C)n2)cc1 6671389 XHZLEALTKMGERY-UHFFFAOYSA-N 303.431 4.227 0 40 DIAB CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC)cc1 7037373 TYQJPWDLIWZBEI-MRXNPFEDSA-N 309.365 4.323 0 40 DIAB Cc1occc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 7847976 PAHDLKHLKQASBF-LJQANCHMSA-N 320.344 4.369 0 40 DIAB Cc1ccc(CC(=O)NCCSC2CCCCC2)cc1C 10009784 LOTBICILCNCWHT-UHFFFAOYSA-N 305.487 4.028 0 40 DIAB O=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)CCCC2 10217282 GBMARVNEYMCCOZ-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 12911769 NHZVOXKIAQNDTJ-ZDUSSCGKSA-N 309.365 4.323 0 40 DIAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2ccccc2)cc1F 12919973 LWEDRRHRMAEWRA-IEZBTEQYSA-N 313.372 4.067 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 14077541 PKQJCHSKARWRHK-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3C)n[nH]2)cc1 14348929 CUWHVYORLQTCQX-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB CCCCc1ccc2nc(NC(=O)c3ccccn3)sc2c1 14379503 KEROAJRREHMYGQ-UHFFFAOYSA-N 311.410 4.286 0 40 DIAB O=C(/C=C/c1ccco1)N[C@H](c1cccs1)C1CCCC1 31806452 LNWYCLNWODOVFY-FVNWOWOISA-N 301.411 4.402 0 40 DIAB CCc1c(C)sc2nc(Cl)n3nc(-c4ccco4)nc3c12 32090348 HKHSSJVMDMHETB-UHFFFAOYSA-N 318.789 4.123 0 40 DIAB CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCCc2ccccc21 32738602 HEOCDNQZNPPAOE-HXUWFJFHSA-N 318.420 4.328 0 40 DIAB C[C@H]1CCCN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)C1 44838703 CCWHQMILQIZCTO-AWEZNQCLSA-N 319.408 4.102 0 40 DIAB CC(=O)c1c(-c2ccc(Cl)cc2)c2ccccc2n(C)c1=O 72314665 XNXXTJPZMWVPDA-UHFFFAOYSA-N 311.768 4.062 0 40 DIAB Cc1cc(N)nc(S[C@H](C)c2ccc(C(F)(F)F)cc2)n1 78480861 DXDNAAXFCBVWQO-SECBINFHSA-N 313.348 4.239 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)c1c2nnc2nc(-c3ccc(F)cc3)cn12 100163255 APPVXLHMGIABLK-DJJJIMSYSA-N 322.387 4.105 0 40 DIAB Cc1csc(C2=C(O)CN(c3ccccc3C(C)C)C2=N)n1 102748526 KFFUJHDPBWSTEP-UHFFFAOYSA-N 313.426 4.341 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223219691 TVLSOEYTFFFQEQ-XJKSGUPXSA-N 319.445 4.129 0 40 DIAB Cc1ccc(CC(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 224841421 YSMXRDQBDDSQDM-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1)C1CC1 225724810 KNQJASUJTWFITB-IFXJQAMLSA-N 319.445 4.316 0 40 DIAB Cc1ccsc1CN1CCCC[C@H]1c1ncn2ccsc12 257340914 ZIBUYDFPSPXUGZ-ZDUSSCGKSA-N 317.483 4.493 0 40 DIAB CC(C)c1ncc2c(n1)-c1ccccc1CN(Cc1ccoc1)C2 306134538 NQUSQDZYERNDNH-UHFFFAOYSA-N 319.408 4.376 0 40 DIAB COc1ccc(CSc2nccc(-c3ccccc3)n2)cc1 1554502460 BTGQNYNEHSYGQM-UHFFFAOYSA-N 308.406 4.445 0 40 DIAB COP(=O)(OC)[C@@H](Nc1ccc(F)cc1)c1ccccc1 2293791 MDHMBVKTCAMPST-OAHLLOKOSA-N 309.277 4.422 0 40 DIAB NC(=S)S[C@@H](CC(=O)c1ccccc1)c1ccsc1 3045853 PEGKBRXZOKOCGM-ZDUSSCGKSA-N 307.465 4.039 0 40 DIAB CCOc1ccccc1NC(=O)CSc1ccccc1Cl 3219297 ITISGUUQNZHVSI-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB COc1cccc(Nc2nc(C)nc3c2oc2ccccc23)c1 5185314 UVRHUKFDGQSOQW-UHFFFAOYSA-N 305.337 4.437 0 40 DIAB Cc1onc(-c2ccccc2)c1NC(=O)O[C@@H](C)c1cccnc1 5552101 LVFFEDHXFVISBE-LBPRGKRZSA-N 323.352 4.355 0 40 DIAB Cc1ccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)cc1 5552932 FHAJLWJLYSVDBY-YBEGLDIGSA-N 323.373 4.048 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 6932534 FVRMEHSSXGOAGY-HZMBPMFUSA-N 300.229 4.231 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 6966433 YRYQZOFKXCKJIL-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB c1csc(-c2nnc(SCc3cscn3)n2C2CC2)c1 8075546 RTRPYHAFLHMLGA-UHFFFAOYSA-N 320.468 4.090 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(F)c1 10694465 XRWOXLXVLLCDFD-BTDICHCPSA-N 301.386 4.046 0 40 DIAB CC(=O)c1ccc(NC(=S)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 13520124 CMTXYUCHBBPYJQ-HSMVNMDESA-N 304.459 4.000 0 40 DIAB COc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 14258062 MBVUJIINJSEMRC-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 20481842 SFYNQXHIENMGAD-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1C 23042556 SJCAOTMDOXCQGJ-SFHVURJKSA-N 324.424 4.257 0 40 DIAB Cc1cc(-c2c(C=O)cnn2-c2ccccc2)ccc1OC(C)C 27825200 KDLWYVOYEWNFON-UHFFFAOYSA-N 320.392 4.447 0 40 DIAB CSc1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1 30643117 VWSCOKBMFPUGKW-GOSISDBHSA-N 323.465 4.021 0 40 DIAB Clc1ccccc1CSc1cc(N2CCCC2)ncn1 36708506 JTNSHMOMOWKKMP-UHFFFAOYSA-N 305.834 4.023 0 40 DIAB CCc1n[nH]c(SCc2csc(C3CCCCC3)n2)n1 42154894 YLRRVLUZULGHJO-UHFFFAOYSA-N 308.476 4.164 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)n[nH]2)cc1 44837719 DGZCIQCQXQGQBC-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB O=C(Cc1noc2ccccc12)Oc1cccc2ccccc12 61430505 KHEXSIPYATUIAV-UHFFFAOYSA-N 303.317 4.129 0 40 DIAB CCc1nc(CSc2nc3ccccc3nc2C)cs1 74114457 ZMINQYBOQMAXLQ-UHFFFAOYSA-N 301.440 4.249 0 40 DIAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1 75172171 BVDPYPOPIFMTLO-UHFFFAOYSA-N 320.352 4.221 0 40 DIAB CCN(CC)Cc1cc(C(F)(F)F)ccc1Br 90413701 WSSUBYRJLHGPDZ-UHFFFAOYSA-N 310.157 4.310 0 40 DIAB CC(C)C[C@@H](C)OC(=O)c1c(F)ccc(OC(F)F)c1F 95449985 GJSKFNIRLVQRHX-MRVPVSSYSA-N 308.271 4.158 0 40 DIAB CCC(CC)c1nnc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)s1 102441738 JXZIDDNJQXWZQW-DRZSPHRISA-N 307.463 4.207 0 40 DIAB O=C(O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 156886667 LOHUSFMBKQLJQS-UHFFFAOYSA-N 308.120 4.500 0 40 DIAB CCSc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(SC)C2 206757049 ILLNJHVIRYBHSV-STQMWFEESA-N 321.511 4.297 0 40 DIAB CC(C)=CC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206995986 MDXNPHBMPYVLHG-HNNXBMFYSA-N 309.862 4.313 0 40 DIAB COc1ccc(-c2nc3cc(C)cc(Cl)c3[nH]2)cc1OC 216916275 GGXSYLZRCCMWLV-UHFFFAOYSA-N 302.761 4.209 0 40 DIAB COc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1Cl 224893789 QYANLMLSZCJOKU-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225722529 VYGYJKAIDQHWJL-IBGZPJMESA-N 317.429 4.152 0 40 DIAB Cc1cnc(-c2ccc([C@H]3CCCN(C(C)C)C3)nc2)s1 257208437 BMDVBOVEWUCOBU-HNNXBMFYSA-N 301.459 4.101 0 40 DIAB O=C(NCC1(c2ccsc2)CC1)c1ccc(F)cc1Cl 1888921689 DJYGPPLBGUYZSR-UHFFFAOYSA-N 309.793 4.002 0 40 DIAB COc1ccc(C(CCCC(=O)O)c2ccc(OC)cc2)cc1 1704032 CBOOHSCJSXSHIG-UHFFFAOYSA-N 314.381 4.091 0 40 DIAB COc1ccccc1NC(=O)/C=C/c1c(F)cccc1Cl 2755595 FLXQMDUSWNJQIC-MDZDMXLPSA-N 305.736 4.140 0 40 DIAB Cc1ccc(NC(=O)CCCOc2ccccc2)cc1Cl 3066217 CWOFMIUWKVJZCQ-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB CC(C)c1ccc([C@@H](C)NC(=O)c2cccc(N(C)C)c2)cc1 3410390 NTLRRADSXYBVFO-OAHLLOKOSA-N 310.441 4.367 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OC 3482468 YUHLYMMYUQHADA-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)c1ccccc1 3582801 HVBQESDAAIASIT-LLVKDONJSA-N 323.223 4.457 0 40 DIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@@H]1c1cccnc1 4000399 WLUPMYXUNVYLNP-GOSISDBHSA-N 323.371 4.069 0 40 DIAB biogenic COc1ccc(C)cc1NC(=O)c1cccc(OCC(C)C)c1 5256140 KIVZLMZRYPHREE-UHFFFAOYSA-N 313.397 4.291 0 40 DIAB Cc1cc(C)cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 6316958 UYFDLEGCUJKHQC-UHFFFAOYSA-N 317.454 4.338 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Sc2ncccn2)cc1 7982545 ZZZRHSLYBBTDKB-CHWSQXEVSA-N 315.442 4.109 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1cccs1 7983924 JTKXCTXWHNZVMS-ZDUSSCGKSA-N 314.435 4.335 0 40 DIAB CCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8227176 OJPSPGVOIGRPFX-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB C[C@@H](C(=O)NC1CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419442 QTRJKFJXPLWEGN-SNVBAGLBSA-N 312.800 4.357 0 40 DIAB O=C(CSCc1nc2ccccc2s1)Nc1ccccc1 11101609 QBIAJCNTCWOIPT-UHFFFAOYSA-N 314.435 4.168 0 40 DIAB CSc1nc2c(c(Nc3ccc(C)c(Cl)c3)n1)CCC2 12016500 KURSPOPIBVZPSK-UHFFFAOYSA-N 305.834 4.393 0 40 DIAB CCOc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 12828488 GSYPRFFVZQUMPV-UHFFFAOYSA-N 316.426 4.063 0 40 DIAB Cc1nc(COc2cccc(C(=O)Nc3ccccc3)c2)cs1 12913428 GYKARJDUCLPBOP-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CSc1ccc(CN2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1 19842562 ZWAUGLACBVVYJK-AEFFLSMTSA-N 318.530 4.105 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1SC 20493638 LCMJFZNLSGVPAP-ZDUSSCGKSA-N 315.438 4.377 0 40 DIAB CCCC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610533 KRZLYVUCHXWWNQ-UHFFFAOYSA-N 322.412 4.283 0 40 DIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1 22237672 VJLYYCHGBYSMPS-UHFFFAOYSA-N 323.421 4.472 0 40 DIAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccsc3)oc12 24834150 UDJBLFFPAARVMW-NSHDSACASA-N 315.394 4.384 0 40 DIAB CC(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27582726 DOWBWNNUHMWDAY-QGZVFWFLSA-N 322.880 4.029 0 40 DIAB O=C(c1cccs1)N1CCC[C@H]1c1nc2ccccc2s1 31389397 QAEDZYHXDOXTTD-LBPRGKRZSA-N 314.435 4.335 0 40 DIAB CCc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)s1 36611455 VONDHVQZRMICEU-UHFFFAOYSA-N 316.451 4.154 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 40012191 KOSUTZQLHKADKS-SWLSCSKDSA-N 303.427 4.056 0 40 DIAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 40049217 IZPSTCKWWJBOPO-VNKDHWASSA-N 318.373 4.029 0 40 DIAB O=C(CCCc1cccs1)N1CCC[C@H]1c1cccs1 41596264 AZJHUNUAHLHCPX-AWEZNQCLSA-N 305.468 4.496 0 40 DIAB CC1(C)COC(CCCCC(=O)c2ccc(F)c(F)c2)OC1 43214496 KFTXANYBDMLOMW-UHFFFAOYSA-N 312.356 4.107 0 40 DIAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2[nH]1 44029928 HWJOKZNAIXLZLS-UHFFFAOYSA-N 320.270 4.035 0 40 DIAB COc1cccc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 49168943 JSSJNSQEFWGMKR-HNNXBMFYSA-N 324.449 4.294 0 40 DIAB biogenic,in-vitro COCC[C@@H](C)NC(=O)Nc1cccc(Oc2ccccc2)c1 72063904 OIHVKZJGGVWHBX-CQSZACIVSA-N 314.385 4.025 0 40 DIAB CC(C)CN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216064 IJFPYAXUXZNHSS-GOSISDBHSA-N 301.478 4.255 0 40 DIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1csc(C2CC2)n1 95396072 SEHDJQKHEMKGQD-GLQYFDAESA-N 312.438 4.001 0 40 DIAB CC(C)n1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2C 96146291 BRVJNUPIRNLMAH-UHFFFAOYSA-N 323.440 4.340 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1C 219273105 UHZPLVKPIPOJKU-IBGZPJMESA-N 311.425 4.122 0 40 DIAB Fc1cccc(NC(=S)NCCCSCc2ccco2)c1 225593708 YMJNCJOBZLXPGA-UHFFFAOYSA-N 324.446 4.029 0 40 DIAB Cc1ccc(NC(=S)NCc2cccc(F)c2)cc1Cl 225836719 CYEJBUGIGWNESK-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB Cc1nc([C@]2(C)CCCN(C3CCCC3)C2)c2sccn12 257328766 XHAMWHGSGPGOGZ-QGZVFWFLSA-N 303.475 4.000 0 40 DIAB CCOc1ccc(NC(=O)c2ccc3sc(C)nc3c2)cc1 408981100 ZFJAEJIFBLBTIH-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB CC(C)C[C@@H](C(=O)Nc1cccc2ncccc12)n1cccc1 575443584 VCEVOQVTULZINA-SFHVURJKSA-N 307.397 4.262 0 40 DIAB Oc1cc2c(cc1Cl)CCNC[C@@H]2c1cccc2ccoc12 1570009207 FNSOIGQMVWZWDF-OAHLLOKOSA-N 313.784 4.069 0 40 DIAB Cn1c(SCc2c[nH]c3ccccc23)nnc1-c1ccccc1 51772 HOIPPJHSIDFYNK-UHFFFAOYSA-N 320.421 4.256 0 40 DIAB O=C(CC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl 137192 HQOYHAGDSMYZEC-UHFFFAOYSA-N 308.164 4.205 0 40 DIAB CCSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 387999 AMHDMMWGZXFLKC-UHFFFAOYSA-N 302.424 4.072 0 40 DIAB CCN(CC)C(=O)CSc1nc2c(C)c(C)ccc2cc1C 418666 JETVQSMRLUAUNI-UHFFFAOYSA-N 316.470 4.121 0 40 DIAB COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC 1632293 ANLBBCQAUDTUDK-UHFFFAOYSA-N 319.426 4.046 0 40 DIAB O=S(=O)(c1ccccc1)c1ccccc1CCc1ccccc1 1703259 KNNUDQHTGDGPLF-UHFFFAOYSA-N 322.429 4.305 0 40 DIAB O=C(O)CCCCCCC(=O)c1ccc(Br)cc1 2378607 BBUMZWMHERNNPI-UHFFFAOYSA-N 313.191 4.057 0 40 DIAB Cc1ccc(C)c(OCCOCCOc2cc(C)ccc2C)c1 3260175 GCXSFFOIWMXIFJ-UHFFFAOYSA-N 314.425 4.395 0 40 DIAB Cc1cccc(Nc2ncccc2C(=O)NCc2cccs2)c1 4217726 DQHOKWSDOMVGAL-UHFFFAOYSA-N 323.421 4.125 0 40 DIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1CCCCC1 4926800 AWUIAYNQLHMDRX-HYVNUMGLSA-N 324.461 4.114 0 40 DIAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(C)C 5136928 VASVBHBJEDDYMX-UHFFFAOYSA-N 322.861 4.087 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 5704849 DIDAWJRSANCHRJ-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB COc1ccccc1/C=C/c1cc(C(=O)O)c2ccccc2n1 6407728 USOOLDIXEAFCTJ-ZHACJKMWSA-N 305.333 4.112 0 40 DIAB Cc1ccccc1CNC(=O)c1csc(-c2ccccc2)n1 8367303 JZJHGXDFRXHAIX-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)s2)c1 9550352 LPRYLHBNRWIDSY-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB CC(=O)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1 10528128 CSZRCSJNNFOVHK-UHFFFAOYSA-N 306.774 4.096 0 40 DIAB Cc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1C(F)(F)F 12781993 LJIMDQOXSFLMDG-UHFFFAOYSA-N 319.286 4.142 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1F 12973171 ZBFJTFQQUWQGHJ-CQSZACIVSA-N 321.804 4.446 0 40 DIAB COC(=O)/C(=C(\F)Sc1cc(C)c(O)c(C)c1)C(F)(F)F 13564562 WYVZUWOMKMJFHS-LUAWRHEFSA-N 324.295 4.018 0 40 DIAB c1csc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1 15107251 FCQOCRLLKBYPNX-UHFFFAOYSA-N 324.434 4.145 0 40 DIAB CCn1c(SCc2nc3ccccc3o2)nc2ccccc21 16048823 VYUAYBRCNCURIL-UHFFFAOYSA-N 309.394 4.490 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC(C(C)C)C(C)C 20483897 ZUWCRCZYRLSLSX-CQSZACIVSA-N 311.853 4.294 0 40 DIAB NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 25003473 AVXGSWADQMSHQP-UHFFFAOYSA-N 303.361 4.032 0 40 DIAB CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)C1CCCC1 41814644 QFGZXZMMLOMIMX-UHFFFAOYSA-N 318.442 4.425 0 40 DIAB Cc1ncsc1C(=O)N[C@@H](c1cccs1)C1CCCC1 48279674 WXLPMYLWSNDQAW-CYBMUJFWSA-N 306.456 4.174 0 40 DIAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 57316765 GGEPJECTSGNKEA-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB Cc1cccc(OCC(=O)N2CCCc3cccc(Cl)c32)c1 58266698 ZWCURUOKDBJALI-UHFFFAOYSA-N 315.800 4.007 0 40 DIAB c1cncc(Oc2ccccc2CSc2nncn2C2CC2)c1 58281600 RSJAQPIRIUGYRV-UHFFFAOYSA-N 324.409 4.093 0 40 DIAB Cc1ccccc1OCCCC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 72303343 GKZLFHJDXVHBRW-UTKZUKDTSA-N 323.436 4.374 0 40 DIAB O=C(CCCc1ccccn1)N(C1CC1)[C@@H]1CCc2ccccc21 84581863 RSCQHSVQNPUVIB-HXUWFJFHSA-N 320.436 4.083 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@@H]1CCSc2ccc(F)cc21 103439510 XPCSUQVVOFAZND-WFGGJUAMSA-N 319.445 4.305 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1C 224430088 GKOZPYSYVQDMQY-HNNXBMFYSA-N 305.462 4.402 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 390829883 HGMRGRMZRNKITG-MRXNPFEDSA-N 323.477 4.281 0 40 DIAB N[C@H](c1ccccc1)[C@@H]1C[C@H]1c1cccc(Br)c1 1536221937 OCUKHHOBGYMHTG-ARFHVFGLSA-N 302.215 4.253 0 40 DIAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C)NCC2 34562 VUOCCUNKRSMKAJ-FQEVSTJZSA-N 311.425 4.028 0 40 DIAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3[nH]2)c(C)c1 48367 CRBILBQAHAMUTC-UHFFFAOYSA-N 310.422 4.463 0 40 DIAB Clc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1 158924 VVSODZPIACIUMO-UHFFFAOYSA-N 321.771 4.188 0 40 DIAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccs1 884406 QPLFGOCRDONFJA-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB COc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cn1 1426042 IJHUJYNBRHFEQF-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)c2ccccc2n1 2621063 PVOPIKKXYHRPGJ-UHFFFAOYSA-N 316.282 4.213 0 40 DIAB Cc1ccc(C)c(NC(=S)NCCSc2ccccc2)c1 7367922 KCZRJPUKPIGINN-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB Cc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 7756870 TWKGGZSEIVNOSA-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 9140451 UQJZBPSWGZUOHV-UHFFFAOYSA-N 318.829 4.029 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)C(Cl)(Cl)Cl)nc12 9141221 VFEJGEKVYFBWEG-UHFFFAOYSA-N 323.632 4.222 0 40 DIAB CCOc1ccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 12144311 XQVANNRRIMCSBV-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB CC(C)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14291439 WKDSWANIOVMOTM-UHFFFAOYSA-N 323.845 4.405 0 40 DIAB F[C@@H](C(F)(F)F)C(F)(F)Oc1ccccc1Br 16082654 LDNCBJYYWUBTQA-ZETCQYMHSA-N 323.030 4.321 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 22532782 HRXZFDZXUFABGT-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CC(C)c1ccc(OCC(=O)NC[C@@H](C)c2ccccc2)cc1 25164604 TXAFUJHZUDUZCE-MRXNPFEDSA-N 311.425 4.109 0 40 DIAB CCN(c1ccc(NC(=O)c2ccc(Cl)o2)cc1)C(C)C 30675837 BDZOUEOTPRCQFS-UHFFFAOYSA-N 306.793 4.420 0 40 DIAB CCc1ccc(CNC(=O)c2ccccc2Br)s1 36391517 YXMNTLDDURABKW-UHFFFAOYSA-N 324.243 4.003 0 40 DIAB Cc1cccc(C(=O)N2CCC(Nc3ccccc3)CC2)c1C 48292071 RCPRASLJROYJCX-UHFFFAOYSA-N 308.425 4.020 0 40 DIAB CCCC(=O)Nc1cc(N2CCCC[C@@H]2C)c(N)cc1Cl 57326725 OQWPRKXIQPEJBZ-NSHDSACASA-N 309.841 4.040 0 40 DIAB CNc1nc2c(s1)[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 61718685 JGGULCBCGOCNBN-GFCCVEGCSA-N 317.414 4.096 0 40 DIAB CC(C)(C)OC(=O)Nc1nccc2c(Br)cccc12 72206995 FHCBXPNADZQNPW-UHFFFAOYSA-N 323.190 4.344 0 40 DIAB Cc1ccc([C@H](c2ccccn2)N(C)Cc2csc(C)n2)cc1 76729143 OUFXTOCAQVGWOC-LJQANCHMSA-N 323.465 4.376 0 40 DIAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 84191807 RMCBYHCYFXQCRR-KAUXGEHWSA-N 309.409 4.225 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(Cl)cc1Cl 102308499 SWDQGWBPLALUND-GVXVVHGQSA-N 312.240 4.436 0 40 DIAB O=C(Nc1ccc(Br)cc1)OC[C@H]1C[C@H]2C=C[C@H]1C2 104166444 DIIYEJWDFCRNSN-SDDRHHMPSA-N 322.202 4.210 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cc(C)ccc1C 224293891 OZNKRLWOGJMMMU-IRXDYDNUSA-N 305.462 4.403 0 40 DIAB Cc1cc(N)c(NC(=O)Cc2ccc(Cl)cc2)cc1Cl 226346892 LMGJWVDYPHMCAZ-UHFFFAOYSA-N 309.196 4.065 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253504217 DFQIPZIKAWWOOR-MZNAPKCPSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro COC1(COc2ccc(C)cc2C)CCN(C2CCCC2)CC1 585281904 SWDKCVLSCPSGPM-UHFFFAOYSA-N 317.473 4.106 0 40 DIAB Cc1cnc([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)s1 2037845929 NYILYIKSLWMBPJ-MRXNPFEDSA-N 311.454 4.312 0 40 DIAB O=C(Nc1ccc(F)cc1)c1csc(-c2cccs2)n1 1385562 JPGNOJGGGGVAKR-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB CCOP(=O)(OCC)[C@@H](O)c1ccc(Cl)c(Cl)c1 2045549 WHZVWBKGYWFUEV-LLVKDONJSA-N 313.117 4.250 0 40 DIAB O=C(Nc1ccc2[nH]c(=S)sc2c1)c1ccccc1F 3894072 RMUPAUHHPJZGLE-UHFFFAOYSA-N 304.371 4.350 0 40 DIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 4023278 TTWYUPSVWLOIRF-XGXHKTLJSA-N 316.441 4.060 0 40 DIAB O=c1ccc(/C=C/c2ccccc2)nn1Cc1ccccc1Cl 4060017 WNRYAVFIIOQNJU-ZHACJKMWSA-N 322.795 4.115 0 40 DIAB Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ncccn12 4734071 YBSAXTJBTPORNO-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 6215125 ITPAMKDVAXFOCG-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB COC[C@H](C)Nc1cc(-c2ccccc2)c2ccc(OC)cc2n1 7777694 GBJVCTMLHITZEM-AWEZNQCLSA-N 322.408 4.357 0 40 DIAB Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCCC2)c1 8414598 ONHOEKBVLKQLII-UHFFFAOYSA-N 306.409 4.267 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 8494610 HHZJYDIHHCGXJB-KRWDZBQOSA-N 317.816 4.156 0 40 DIAB O=C(c1cc(Cl)sc1Cl)N1CCc2ccccc2C1 8748040 UQJJNRXFHVSAGT-UHFFFAOYSA-N 312.221 4.253 0 40 DIAB Cc1ccc(NC(=O)NCCCn2ccc3ccccc32)cc1C 9376466 RZTCATAEXLOZLH-UHFFFAOYSA-N 321.424 4.470 0 40 DIAB CSc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217377 OTHPSKXQMMSVIJ-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB Cc1cc(C(=O)Nc2c(C)cccc2C)c2cnn(C(C)C)c2n1 10959279 NRAWBSKTTQJVPM-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB CCCc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12563948 ZQLVTRTUJFXLRO-GFCCVEGCSA-N 317.820 4.127 0 40 DIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1 12618048 MHICSUSOHXVEQE-UHFFFAOYSA-N 310.328 4.052 0 40 DIAB CCOc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 20538238 FLWFDBTXIPQBDE-GFCCVEGCSA-N 302.349 4.107 0 40 DIAB CC(=O)Nc1sc(-c2ccccc2)nc1-c1cccs1 26688323 VSNRODKEARURGF-UHFFFAOYSA-N 300.408 4.497 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccccn12 26964328 YEMWJFQKOMTQQJ-UHFFFAOYSA-N 315.760 4.223 0 40 DIAB FC(F)(Br)[C@@](F)(Br)c1ccccc1 64220245 ZZYJTIGMBINNQL-SSDOTTSWSA-N 317.930 4.192 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 65474587 PUPQXHSAPMVSTR-FOSUXSCJSA-N 314.410 4.389 0 40 DIAB CC(=O)c1sc(-c2ccc(C(F)(F)F)cc2F)nc1C 66352003 SQCZJZBOAADWCJ-UHFFFAOYSA-N 303.280 4.479 0 40 DIAB CCOc1cc(C(=O)Nc2nc(C)c(C)s2)cc2occc12 72240104 NWLJUBQYSCUWAY-UHFFFAOYSA-N 316.382 4.157 0 40 DIAB COc1cc2c(cc1OC)[C@@H]1C[C@@H](c3ccccc3)CCN1CC2 95561612 SPYSWTOTYSJXHH-LPHOPBHVSA-N 323.436 4.181 0 40 DIAB CC(=O)c1csc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 95951112 OICHQSIEJDGPPX-LBPRGKRZSA-N 301.411 4.092 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104255397 DPDZBTZANFYYID-RWMBFGLXSA-N 307.821 4.422 0 40 DIAB Cc1ccc(CNc2cccc(C[S@@](C)=O)c2)cc1Cl 195447719 YWPDZSZSSMYXKT-HXUWFJFHSA-N 307.846 4.139 0 40 DIAB O=C(N[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1C(F)(F)F 195528619 MFSJUFSYVADZBZ-VOZNZKSSSA-N 323.358 4.260 0 40 DIAB CCS[C@@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 199414548 DSRHIMVBYJBFEU-SCLBCKFNSA-N 303.471 4.266 0 40 DIAB Cc1nc2sccn2c1-c1nnc(-c2cccc(Cl)c2)o1 216607899 CWJIRAFZFQVFPN-UHFFFAOYSA-N 316.773 4.075 0 40 DIAB CCCNC(=O)c1ccc(Nc2cccc(Cl)c2C)c(N)c1 225425386 JCGBUGJLTFASCB-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB O=C(COCc1ccccc1)c1cccc(F)c1C(F)(F)F 382725284 PVIWXAFOECEREK-UHFFFAOYSA-N 312.262 4.244 0 40 DIAB NCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 725384423 RXRPGZRUNNDVBO-UHFFFAOYSA-N 311.269 4.495 0 40 DIAB Cc1ccnc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 30243 ZDFIHABQCCBDPQ-UHFFFAOYSA-N 316.360 4.266 0 40 DIAB COc1nc(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1 5675286 DYXGSLMATVNRKS-UHFFFAOYSA-N 313.740 4.031 0 40 DIAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882859 YUHUPQOJSQYNQE-USJZOSNVSA-N 308.381 4.307 0 40 DIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1 6810502 KQLGRQNTRBIVBN-UHFFFAOYSA-N 321.833 4.193 0 40 DIAB CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@@H]3O)[C@H](C)CC[C@@]12C 9132771 LVSCWEDTMWAASP-KXAOQFNBSA-N 318.457 4.367 0 40 DIAB biogenic,in-vitro Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccco1 14167311 YXJJZMBVIWKYOJ-UHFFFAOYSA-N 318.423 4.045 0 40 DIAB O=C(Oc1ccccc1)[C@H]1CCCC[C@H]1C(=O)Oc1ccccc1 17162264 UWCBUHNOZSDFEU-HDICACEKSA-N 324.376 4.004 0 40 DIAB CC[C@H](CNc1cc(OC)ccc1OC)Oc1ccc(C)cc1 19737816 VKDHWOYYHRKIGL-OAHLLOKOSA-N 315.413 4.282 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1c2ccccc2C[C@H]1C 19932353 ZLFAYSSAUZHALL-DNVCBOLYSA-N 323.436 4.439 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C)c1 20482034 XXPHRONFVVLXHC-MRXNPFEDSA-N 317.816 4.122 0 40 DIAB CC[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(C)cc1 22278105 HXCFCFSDZDYCJN-GOSISDBHSA-N 304.393 4.424 0 40 DIAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(F)cc2)[nH]n1 24960935 KJPMECQNZGVOSA-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCc2ccccc21 29257969 SXPJHLWYRCVRER-KRWDZBQOSA-N 301.336 4.114 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCCc2ccccc21 30752512 VRXDHXINVDHNLZ-MOPGFXCFSA-N 323.436 4.346 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CCC[C@H]12 36371941 SGQIYKXGWYOMQI-KXVWIRPWSA-N 306.490 4.141 0 40 DIAB Cc1ccc(C)c(CC(=O)N(C)Cc2ccc(Cl)cc2)c1 44900018 MMMKTTGHULEFMH-UHFFFAOYSA-N 301.817 4.158 0 40 DIAB CCOC(=O)Cc1ccccc1-c1nc2ccc(F)cc2s1 45923276 SPPGYJKOFIMCJO-UHFFFAOYSA-N 315.369 4.208 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 47806719 FPMYDZXBXGQCHH-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Cc1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc1Cl 69737201 SIWGCWGPAUHJHR-UHFFFAOYSA-N 305.809 4.295 0 40 DIAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2C)c1c(F)cccc1F 71902700 RCBMQPGQJRAZTH-LLVKDONJSA-N 316.351 4.047 0 40 DIAB CCc1onc(C)c1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 89443484 ROVFJNAREDYSMD-GFCCVEGCSA-N 301.390 4.045 0 40 DIAB FC(F)(F)c1ccc(Br)cc1NN1CCCCC1 95081578 HWCUNDVWMJPMKP-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB Cc1nnc(SCc2nccs2)n1[C@H]1CCC[C@H](C)C1 95442207 BFMXPDQAOFJSQE-JQWIXIFHSA-N 308.476 4.087 0 40 DIAB Cc1nocc1C(=O)N1CCC2(CC[C@@H](C)c3ccccc32)CC1 96079685 XKKQYRFMXXBZSP-CQSZACIVSA-N 324.424 4.054 0 40 DIAB C[C@@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1cccs1 96478029 FSLPSEPLOUOABO-FZMZJTMJSA-N 314.376 4.010 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102380963 FNEKDQWBBFCRFP-GIPNMCIBSA-N 314.376 4.180 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(OC)c1 113951344 XACDENOFCPGHDR-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 219741776 DPHXUOLXKRCHIV-GOSISDBHSA-N 309.409 4.281 0 40 DIAB CC1(C)C[C@@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 219946842 NQQYPPBGQRVYPD-OAHLLOKOSA-N 321.376 4.465 0 40 DIAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1Cl 223325123 RTVFEYXPOWTZNC-GFCCVEGCSA-N 315.800 4.330 0 40 DIAB Cc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)c(C)c1 225025171 XBVBEHWROLPFEM-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCCSc1nnc(NC(=O)c2cc(C)c(C)cc2C)s1 225653425 RJMMGMKCQNIDNY-UHFFFAOYSA-N 321.471 4.218 0 40 DIAB O=Cc1sc2cccc(Br)c2c1C(F)(F)F 396266282 FRISFQXSLZTZAV-UHFFFAOYSA-N 309.106 4.495 0 40 DIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(Br)cc1 220396 VZMKXUDJSFDQNF-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1C 253014 WUBBZESAXVQTTR-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB CCc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1 427412 ULBLMCQSDJFVPM-LPHOPBHVSA-N 308.381 4.019 0 40 DIAB COc1ccccc1[C@@H](C)Nc1ncnc2sc(C)c(C)c12 3363188 BGWDCOZIBRUXOE-LLVKDONJSA-N 313.426 4.490 0 40 DIAB COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1C 3549161 ZRVHLKFDOMTUPD-UHFFFAOYSA-N 321.376 4.418 0 40 DIAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)c1ccccc1 3582766 SODJDLVCCLVTAP-LLVKDONJSA-N 323.223 4.457 0 40 DIAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(N=O)c2ccccc21 4616591 TVSOZIYRALRJMJ-UGSOOPFHSA-N 309.369 4.061 0 40 DIAB CCOC(=O)c1cc2ccsc2n1Cc1ccc(F)cc1 4968521 JTNHINGRABLEMZ-UHFFFAOYSA-N 303.358 4.067 0 40 DIAB CC(C)n1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 5235257 AOBBWTJMYMUHLP-HNNXBMFYSA-N 321.424 4.037 0 40 DIAB CCn1cc(NC(=O)Nc2nc(C)cs2)c2ccccc21 5266208 WIYIAUIDIQIUSG-UHFFFAOYSA-N 300.387 4.070 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 5421600 NCILLZJLLHSIKU-UHFFFAOYSA-N 313.397 4.299 0 40 DIAB O=C(NCCCc1ccccc1)c1c(Cl)cccc1Cl 5682679 SDWCHMVMKUAKTP-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Cc1nc(N[C@@H](C)c2cccnc2)c2c3c(sc2n1)CCC3 7191767 BMRVPNPVUSOZCW-JTQLQIEISA-N 310.426 4.057 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1 9064441 YGCFKWKQDSJZQC-CQSZACIVSA-N 312.388 4.457 0 40 DIAB Cc1cccc(OCCC(=O)Nc2ccccc2C(F)(F)F)c1 10213795 TZRHVXNUPIKJRM-UHFFFAOYSA-N 323.314 4.421 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccncc3)s2)cc1 12324786 ZJSFEKKNDVCHSN-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 12908484 DLUIQEMGMWZUHC-UHFFFAOYSA-N 320.751 4.080 0 40 DIAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(OC(F)F)cc1 13019467 YSUNLGYNPDFQQF-MRVPVSSYSA-N 315.703 4.025 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)cc1C)C2 13024149 DFOTZRSLWRZAPG-INIZCTEOSA-N 301.386 4.098 0 40 DIAB CCOc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 13669271 OERXRPJTZRWKTO-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB Cc1cccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1C 25297355 PCEXQCLSWQDBSZ-ZDUSSCGKSA-N 319.351 4.396 0 40 DIAB CCCC[C@H](CC)c1nnc(NC(=O)c2ccoc2C)s1 27924875 GFCJQBLHSFEGFG-NSHDSACASA-N 307.419 4.376 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1ccc(F)c(F)c1F 28210938 FNDYKOSMEATQQK-UHFFFAOYSA-N 307.315 4.481 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)CCc3ccccc3)c2)n1 32817489 SELWFWJNUHVNTF-UHFFFAOYSA-N 317.392 4.023 0 40 DIAB O=C(c1ccoc1)N1CCc2sccc2[C@@H]1c1cccs1 32842971 ALBCDJGWDBZKPS-OAHLLOKOSA-N 315.419 4.191 0 40 DIAB Cc1nnc(Nc2ccc(OC(F)F)cc2)c2ccccc12 32907676 HDPVNPQNMDXZKG-UHFFFAOYSA-N 301.296 4.283 0 40 DIAB CCN(C(=O)c1cc(-c2cccs2)[nH]n1)c1cccc(C)c1 57413149 XBPGVAKYOGPQRA-UHFFFAOYSA-N 311.410 4.113 0 40 DIAB CN(CC1CCCC1)C(=O)Cc1c(Cl)cccc1Cl 58085723 UEBLSWPSFFVHHO-UHFFFAOYSA-N 300.229 4.185 0 40 DIAB O=N[C@@H](/C1=C/CCNC/C(C(F)(F)F)=C\C1)c1cccs1 64220318 XYXVVZDACNDEDH-WVGNJTISSA-N 316.348 4.354 0 40 DIAB Cc1ccc(OCc2ccc(Br)cc2C(=O)O)cc1 72209156 JZDJBJFDKYASJH-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB CSc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1 95917196 NOALXKDPAYNEMK-UHFFFAOYSA-N 318.266 4.335 0 40 DIAB CCn1nc(C)c([C@H](C)NCCc2c[nH]c3cc(C)ccc23)c1C 95967571 GUUHHCCTMORQFJ-AWEZNQCLSA-N 324.472 4.203 0 40 DIAB Cc1cccc(CSCC(=O)NC2CCCCCCC2)c1 222740011 CGOBCKJEJFWQDP-UHFFFAOYSA-N 305.487 4.457 0 40 DIAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(Cl)cc2)c1 224375140 YUQLFNAFXBKDOP-UHFFFAOYSA-N 315.844 4.324 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225468836 QSPXQTUCJPVCDZ-NSHDSACASA-N 306.381 4.321 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)cc2)CCC[C@@H](C)C1 225660755 ZJRJIFOYRZDYSV-BEFAXECRSA-N 319.445 4.399 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)nc1 225886634 VHVNXIURUWUAEX-SFHVURJKSA-N 322.449 4.184 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 226349515 ZOOBCPVWVIKMSY-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB COc1cccc(CC2CCN([C@H](C)c3cc(C)on3)CC2)c1 585084908 HJQXEWJWJNSVEH-OAHLLOKOSA-N 314.429 4.007 0 40 DIAB CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 113287 DAWSYIQAGQMLFS-GOSISDBHSA-N 324.376 4.313 0 40 DIAB biogenic,in-vitro Cc1cccc(NC(=O)c2ccccc2Br)c1C 250070 LXHFMTVYEPLIIR-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB O=C(COc1ccc2ccccc2c1)N1CCCc2ccccc21 493231 FBAYEJWZJVEHJE-UHFFFAOYSA-N 317.388 4.198 0 40 DIAB Cc1cc(OCCCC(=O)N(C(C)C)C(C)C)ccc1Cl 1787189 VNENELWAGAVNNC-UHFFFAOYSA-N 311.853 4.453 0 40 DIAB CCc1ccc(OCCCn2c([C@H](C)O)nc3ccccc32)cc1 1926788 QQQIUMSIKXPPEK-HNNXBMFYSA-N 324.424 4.121 0 40 DIAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCCC1 3386831 FOKVHIPBPFAQAR-MRXNPFEDSA-N 324.424 4.292 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccccc3F)n2C)cc1 4105857 WIDYZQDJTCZHEP-UHFFFAOYSA-N 313.401 4.222 0 40 DIAB Cc1ccc2nc(SCC(=O)c3ccc(F)c(F)c3)[nH]c2c1 5927772 CDMIUCIQGRKWLJ-UHFFFAOYSA-N 318.348 4.125 0 40 DIAB Cc1sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C 6650602 RQIHEVILBIXANX-VMPITWQZSA-N 316.813 4.425 0 40 DIAB Cc1cccc(NC(=O)CSCc2cccc(F)c2)c1C 7146192 GAVJTHVTOREGKO-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB CC(=O)c1cccc(NC(=O)c2ccccc2SC(F)F)c1 9749975 DJMSIYFJPBGRMU-UHFFFAOYSA-N 321.348 4.456 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1F 11916781 SWOOYYNFMIDTRY-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB COc1ccc(OCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 15414961 UGZVLHIYBUMMFQ-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB COc1ccccc1NC(=O)NCc1ccc(C(F)(F)F)cc1 17744874 PMAJLXJMXTXFKQ-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)no1 32913643 NBFJIYVTXYBHBE-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CC[C@@H](C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1 36763261 BGDJTPOEVMYSAE-QGZVFWFLSA-N 305.381 4.209 0 40 DIAB c1ccc2c(c1)CSC(SCc1nnc(C3CC3)o1)=N2 48988473 RBVHCYFCYJECJC-UHFFFAOYSA-N 303.412 4.115 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3)n[nH]2)cc1 51315388 QUYXSFXWGAEJDB-UHFFFAOYSA-N 321.380 4.036 0 40 DIAB C[C@H](NC(=O)CSCCCc1ccccc1)c1ccccc1 57686144 ITIPFMUCQMJFNA-INIZCTEOSA-N 313.466 4.230 0 40 DIAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 61997123 FTDIRDJKAWZCQV-UHFFFAOYSA-N 322.364 4.381 0 40 DIAB Cc1cc(N(C)c2ccccc2)ncc1[C@@H](O)c1ccccc1 72223346 YYQLNPXAONEBQO-FQEVSTJZSA-N 304.393 4.240 0 40 DIAB C[C@H](c1ccccc1F)N(C(=O)Nc1nccs1)C1CC1 84660624 HGNFJGMFUYBXHK-SNVBAGLBSA-N 305.378 4.040 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(COc3ccccc3)cc2)o1 91166068 FMBAHLJPDIOIMI-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB CC(C)C[C@@H]1SCC(O)=Nc2ncn(-c3ccccc3)c21 95477924 NZAGSXMPADRZGR-ZDUSSCGKSA-N 301.415 4.294 0 40 DIAB Cc1nc(C(C)C)c(C(=O)Nc2cc(Cl)ccc2O)s1 96232228 CCDCVZVBAJGZQC-UHFFFAOYSA-N 310.806 4.186 0 40 DIAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1nccs1 97074554 SOARUZCYFZQCRU-UHFFFAOYSA-N 321.490 4.049 0 40 DIAB CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(C)cc2)c(C)n1O 136088897 AYRHIAOMSJYCFS-UHFFFAOYSA-N 321.400 4.153 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc2ccccc12 222892009 BQCXTZKUAFNGIY-HXUWFJFHSA-N 319.404 4.314 0 40 DIAB O=C(Cc1cccc(Cl)c1)NCCSC1CCCCC1 223308191 PPXBGKSXZLYPAG-UHFFFAOYSA-N 311.878 4.065 0 40 DIAB O=C(Cc1cccs1)Nc1ccccc1C(=O)c1ccccc1 223370288 KXJHTQFCMDAJOI-UHFFFAOYSA-N 321.401 4.160 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1 225654163 VFNJADWHTBYGLS-UHFFFAOYSA-N 305.418 4.152 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1 225670640 BTIXXFGJRPPVQO-SFHVURJKSA-N 305.418 4.009 0 40 DIAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1 225712641 NRRVDWKZVSRMSP-KSSFIOAISA-N 305.418 4.009 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2cc3cccc(C)c3o2)cc1 226044518 NMVIBOCHDWWETJ-CYBMUJFWSA-N 309.365 4.241 0 40 DIAB CN1C=CC=C/C1=C/C=C1/C=Nc2ccc(Br)cc21 334139385 NZVQHCKHTZVNNJ-VPNYETDTSA-N 313.198 4.448 0 40 DIAB CO[C@H](CNc1ncnc2ccc(Cl)cc12)c1ccsc1 1775972524 JDEVUSAMDZGKPQ-CQSZACIVSA-N 319.817 4.144 0 40 DIAB CCCc1c(C)nc2c(C)cccc2c1SCCC(=O)O 32798 IPRSCILIVZMHJS-UHFFFAOYSA-N 303.427 4.371 0 40 DIAB CCn1ncc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)c1C 1000952 CFFIROXXMULUFP-QPJJXVBHSA-N 324.211 4.170 0 40 DIAB Cc1ccc(NC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 2585268 ZFSKDOLSPVYLRZ-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB Cc1ccc(C)c(OC[C@H](O)CNC2CCCCCCC2)c1C 2639146 IPDRRIRBRBECHD-LJQANCHMSA-N 319.489 4.054 0 40 DIAB Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)o1 3347560 QJTFSZFYOWRTLZ-UHFFFAOYSA-N 316.357 4.032 0 40 DIAB Cc1cc(NC(=O)c2cccc(F)c2)ccc1Br 3562196 IGOUYYRPTANMNV-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCOc1ccc(C(C)=O)cc1CN(C)Cc1ccc(C)cc1 6881550 ZJSWPQBTHSVMDY-UHFFFAOYSA-N 311.425 4.228 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)cc1C 7093845 XZCMDEHLDDNPJM-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 7235668 HRKKAQCQOMNXCC-LBPRGKRZSA-N 313.401 4.475 0 40 DIAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)cc1 7884830 AIIYZRBVJSDTIQ-IBGZPJMESA-N 315.376 4.161 0 40 DIAB Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)O 8015534 QFHKHBZINQGTCI-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 8368440 RSZBMGRLIBQOHQ-SJLPKXTDSA-N 308.425 4.130 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)NC1CCCCCCC1 8478647 ZAJBNIDVHWKKJP-INIZCTEOSA-N 307.409 4.212 0 40 DIAB O=C(NCCCc1ccccc1Cl)c1ccc(Cl)cc1 10542271 ZCJQZGZBDVKMPB-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Cc1ccc(OCCC(=O)Nc2ccc(F)cc2C)cc1C 12872381 VZIXWUGYJVLZJA-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 13399361 IBAJBHMZVIYPNR-KNEKMNIZSA-N 304.474 4.349 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 15028459 GYEOSVISZGXLJX-SNVBAGLBSA-N 323.364 4.093 0 40 DIAB COc1ccccc1CN1CC[C@@H](c2cc3ccccc3cn2)C1 19570061 DCSQSCQYAHKNNV-GOSISDBHSA-N 318.420 4.233 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 19932057 HYJNNCYEMOXNFJ-AWEZNQCLSA-N 307.752 4.275 0 40 DIAB Cc1cc(N)cc2nc(-c3cccc(Br)c3)oc12 20134680 HDBQGAZBZCZYJX-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccc(N)cc2Cl)cc1 20221010 YUTUPAWUQHCGLO-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccccc1 20460142 YONSMIMAPAYKQP-APWZRJJASA-N 311.425 4.338 0 40 DIAB Cc1nc(-c2c[nH]c(C(=O)N(C)C3CCC(C)CC3)c2)cs1 25627173 RKKZWMBUAZHGKD-UHFFFAOYSA-N 317.458 4.097 0 40 DIAB CC(=O)c1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1 32907261 CBEPRHWTQZZZRA-AWEZNQCLSA-N 310.397 4.032 0 40 DIAB COC(=O)c1cc(Nc2ccc(C)cc2)c2cc(C)ccc2n1 38486803 SYEHSWTXUYIROS-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB COc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1F 44194845 SXDZRBFQXZEGTA-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1ccc(C)c(C)c1 53521427 LKYCHKSDFCFBML-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1nc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)oc1C 56133075 YEBXJMOVDJFCNX-BJMVGYQFSA-N 319.364 4.005 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cccc(OC)c1OC 60387640 KGNHGALICJLCMD-UHFFFAOYSA-N 313.397 4.081 0 40 DIAB Cn1ccc2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc21 61721992 KOIDRZWNFCJOGR-UHFFFAOYSA-N 318.420 4.198 0 40 DIAB COc1ccc(C(=O)c2ccc(N)cc2)cc1-c1cccc(F)c1 66088927 JROQVHTVVKXBTQ-UHFFFAOYSA-N 321.351 4.315 0 40 DIAB C[C@@]12CCCC(=O)[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 68677144 XCTUOBOQUJSQJX-UWHLTILDSA-N 305.421 4.448 0 40 DIAB Cc1ccc2cccc(NC(=O)N(C)[C@@H](C)c3ccncc3)c2n1 79350523 AUNQOCIHMZRRGI-AWEZNQCLSA-N 320.396 4.163 0 40 DIAB CC[C@@H](C)n1nccc1NC(=O)/C=C/c1cccc2cccnc12 84726984 RMSVEMZSTZMCLX-ATWMFIQVSA-N 320.396 4.054 0 40 DIAB CCOC(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90463272 HAOZCPUVSGROSH-ARJAWSKDSA-N 312.209 4.301 0 40 DIAB Cn1cc(CCCOc2ccccc2Cc2ccccc2)cn1 95971357 UHLJPYBVIOKPGX-UHFFFAOYSA-N 306.409 4.023 0 40 DIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1ccccc1 106644322 MBHTVIULRIQAPH-JLSDUUJJSA-N 309.409 4.018 0 40 DIAB Nc1nc(Cl)cnc1-c1cc(Cl)cc(Cl)c1Cl 136246944 TXIVDCNXCRALRM-UHFFFAOYSA-N 308.983 4.339 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195583843 QAPNWNUZRUXEPP-RFJMFJJWSA-N 321.848 4.048 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1C 224788522 GOJAPQMPXQLIME-UHFFFAOYSA-N 313.397 4.433 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225605534 VUMIIIPTJZAEGO-KSSFIOAISA-N 307.434 4.254 0 40 DIAB CCCCOc1cccc(C(=O)Nc2c(C)cc(C)cc2N)c1 226349426 CFHVOCCHFDQOPZ-UHFFFAOYSA-N 312.413 4.317 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 250048184 FNEKDQWBBFCRFP-OUJBWJOFSA-N 314.376 4.180 0 40 DIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)s1 260788317 YRFNEPXNVNFBJU-KCPJHIHWSA-N 315.467 4.041 0 40 DIAB COC(=O)c1sc2c(c1N)CSc1ccc(Cl)cc1-2 107651 LBBDUEUFSCOVJH-UHFFFAOYSA-N 311.815 4.043 0 40 DIAB CCOc1ccccc1NC(=O)CSc1ccc(Cl)cc1 379583 RIWBNDSNHRNABV-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB CCOc1cc2c(cc1C/C=C/c1ccc(OC)cc1)OCO2 1611518 IWDJIZYURLLLMQ-SNAWJCMRSA-N 312.365 4.079 0 40 DIAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccccc1 2283389 XYAUTAKAOZYYTJ-OAHLLOKOSA-N 300.335 4.216 0 40 DIAB Cc1nc2c3ccccc3nc(SCc3ccccc3F)n2n1 2968894 UKAFVFNTTFDDJH-UHFFFAOYSA-N 324.384 4.017 0 40 DIAB O=C(Nc1cccc(F)c1)c1ccc(C(=O)c2ccccc2)cc1 3181865 BXLJNZDRAHMBAK-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB O=C(CNc1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 3399462 WBRFNVSVDNNBHJ-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB COc1ccccc1Cc1noc(/C=C/c2ccc(C)cc2)n1 3913235 GVEJBBQCPDUBEY-VAWYXSNFSA-N 306.365 4.148 0 40 DIAB Cc1cc2cc(CNC(=O)c3ccccc3Cl)ccc2n1C 4061506 DDPGYPRQYUUJMZ-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCc2cccc(C)c2)cc1 4354822 UVFXPOYOISMSEG-UHFFFAOYSA-N 309.438 4.485 0 40 DIAB CC[C@H](c1ccccc1)c1nn2c(-c3ccoc3C)nnc2s1 4938978 DVPORPRRRZYFAY-CYBMUJFWSA-N 324.409 4.296 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 5538993 KKKVHJDDOSMROB-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB COc1nc2ccccc2cc1-c1noc(-c2cccc(C)c2)n1 5576890 VCGXLQNHBSOQIZ-UHFFFAOYSA-N 317.348 4.269 0 40 DIAB Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3)coc12 5955544 WHGRADATGMNABZ-UHFFFAOYSA-N 302.713 4.253 0 40 DIAB biogenic Cn1c(/C=C/c2ccccc2)nc2sc3c(c2c1=O)CCCC3 6505094 DJAIISILMZSLFP-VAWYXSNFSA-N 322.433 4.044 0 40 DIAB S=c1[nH]nc(CNc2ccccc2Cl)n1-c1ccccc1 6534209 JRIGBAFIHDCNSU-UHFFFAOYSA-N 316.817 4.195 0 40 DIAB COc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1 6745417 QQGBJEHPZWGQFD-UHFFFAOYSA-N 301.349 4.072 0 40 DIAB CCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)c2ccccc21 6953641 NAKCOGYHVCQNAD-LDADJPATSA-N 306.409 4.347 0 40 DIAB COc1ccc(C)cc1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 7043047 AWFBDRNJLVNDIY-ZDUSSCGKSA-N 308.381 4.168 0 40 DIAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccccc1F 7598931 KHYBCZGFWAHIMU-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccccc2F)c(C)c1 8369798 KVISALFPNWERHS-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB O=C(O)/C=C\c1cn(Cc2cc(F)cc(F)c2)c2ccccc12 12368235 FMNWUSCUVBOPPC-WAYWQWQTSA-N 313.303 4.066 0 40 DIAB CCc1ccccc1NCc1cc2cc(C)cc(C)c2[nH]c1=O 12493006 YXIWANWDGANUTA-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 14255527 QYSJESVZMDRBRW-UHFFFAOYSA-N 317.454 4.482 0 40 DIAB Cc1c(Cl)c(-c2ccc3c(c2)NC(=O)CO3)nc2ccccc12 15453898 XPKYZBKGMDZGIG-UHFFFAOYSA-N 324.767 4.195 0 40 DIAB CC[C@H](C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)c1ccccc1 16694496 WIFHAFODCFZSSN-LIRRHRJNSA-N 321.424 4.009 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccccc1OC 24099219 NOWMJQJILTVONW-JXOMPUQVSA-N 322.408 4.012 0 40 DIAB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc(OC)cc1 24706043 ARNVJBDZPZXSLO-LJQANCHMSA-N 311.425 4.204 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C 27220664 JWJXECVIFYDOET-MEBBXXQBSA-N 321.804 4.246 0 40 DIAB C[C@@H]1C[C@@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 27386597 KJYHOOMZMJIDSX-BZNIZROVSA-N 314.768 4.132 0 40 DIAB O=C1CCCCC[C@@H]1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 28188250 WJIJXKFAVLPWSL-ZDUSSCGKSA-N 321.833 4.119 0 40 DIAB CC(C)C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 32731114 JNOJJCDLLLZZIJ-QGZVFWFLSA-N 303.352 4.482 0 40 DIAB COc1ccc(C(=O)Cc2ccc(C)cc2)c(Br)c1 37444699 ULRXYTSNAQIOPM-UHFFFAOYSA-N 319.198 4.192 0 40 DIAB in-vitro C[C@@H](SCCCc1ccccc1)C(=O)NCc1cccs1 70858612 BUMAYCYMHJKYPI-CQSZACIVSA-N 319.495 4.119 0 40 DIAB CSc1ccc(NC(=O)c2ccccc2-c2cncnc2)cc1 71921723 ZOUSYNJMAIVUGF-UHFFFAOYSA-N 321.405 4.118 0 40 DIAB Cc1cc(C)c([C@@H](O)c2ccccc2Br)cc1C 86493390 HJOXPQWDTWKITA-INIZCTEOSA-N 305.215 4.456 0 40 DIAB Fc1cccc(OC(Cl)(Cl)Cl)c1Br 95215484 AFNDABNKMWFVEZ-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB COc1cccc(Oc2ncccc2CN[C@H](C)c2ccco2)c1 95423109 REFVTPCPHGMARM-CQSZACIVSA-N 324.380 4.326 0 40 DIAB CO[C@@H](C)c1nc(Cl)cc(-c2ccc3c(c2)CCCC3)n1 96529173 DHRLGBGHFUDAAE-NSHDSACASA-N 302.805 4.383 0 40 DIAB O=C(Nc1cnc(C2CC2)nc1)c1ccc(-c2ccccc2F)o1 103019726 PQHURWVFECKPFU-UHFFFAOYSA-N 323.327 4.005 0 40 DIAB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccccc1 216495666 GQDGKYHSSJXBDU-GOSISDBHSA-N 313.466 4.496 0 40 DIAB COCc1cccc(NC(=O)CSCc2ccccc2C)c1 223398440 ILIUEEMBAGPEDI-UHFFFAOYSA-N 315.438 4.013 0 40 DIAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnco1 224062047 OHTQTGKQUZFCED-UHFFFAOYSA-N 314.728 4.373 0 40 DIAB CC[C@@H](NC(=O)c1cccc(F)c1)c1ccc(OC)c(C)c1 224960468 MXJVJHXITGGUCY-MRXNPFEDSA-N 301.361 4.024 0 40 DIAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1 225493445 DRYSWIDQGBHKOS-UHFFFAOYSA-N 323.440 4.247 0 40 DIAB Cc1cccnc1NC(=S)N[C@H](CC(C)C)c1ccccc1 225495901 BBIWCSYKZJRNLS-MRXNPFEDSA-N 313.470 4.464 0 40 DIAB Cc1ccc(C)c(NC(=S)N[C@H](C)COc2ccccc2)c1 225781292 MNSBMCAREUTUIT-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCOc1cc(OCC)c2c(Cl)c(C(=O)O)sc2c1 228939500 UMKGVCGFXJYWOP-UHFFFAOYSA-N 300.763 4.050 0 40 DIAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC)n1 585266001 YAIJTEBRNOLZKD-UHFFFAOYSA-N 319.788 4.451 0 40 DIAB CCCCSc1nc(N)c2c3c(sc2n1)CC[C@@H](C)C3 2271182 DBCAXWXCUHTHFN-SECBINFHSA-N 307.488 4.291 0 40 DIAB CN(C)[P@@](=O)(Nc1ccccc1)C(Cl)(Cl)Cl 3202961 UJRQBMJWENMAGW-INIZCTEOSA-N 301.541 4.181 0 40 DIAB Cc1cccc(CSc2nnc(C)n2-c2cccc(C)c2)c1 4186439 IIXPJUFNXNAUDE-UHFFFAOYSA-N 309.438 4.485 0 40 DIAB Cc1ccc(NC(=O)COc2cccc3ccccc23)c(C)c1 4666203 KYDCHIVCYQHSQD-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)C1=Cc2ccccc2OC1 5034258 VLTMQXHRBPAHOU-UHFFFAOYSA-N 319.282 4.120 0 40 DIAB COc1cc2c(cc1OC)C(C1CCCCC1)=NC(C)(C)C2 6763567 ZNUWACNJOHNADJ-UHFFFAOYSA-N 301.430 4.408 0 40 DIAB Cc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 11058650 JIFNSWVVDMEPDZ-UHFFFAOYSA-N 311.410 4.111 0 40 DIAB Cc1ccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12820741 GMLWECNOEDZHAN-HNNXBMFYSA-N 316.401 4.493 0 40 DIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc2ccccc2[nH]1 13001761 QIGJDLQASHNIQQ-UHFFFAOYSA-N 316.763 4.233 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 14254341 DFLYIXBVRPZQDA-GFCCVEGCSA-N 307.390 4.140 0 40 DIAB COc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 16605671 ZMSVPVHDCAQIMV-ODNNXGBQSA-N 313.441 4.174 0 40 DIAB c1ccc(C2=N[C@H](c3ccccc3)N3C[C@]23c2ccccc2)cc1 19801318 WBGPXLGRLVZYHL-AJVCAZFQSA-N 310.400 4.399 0 40 DIAB CCC(CC)C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 23077529 GKSZOOPRNBEMAP-UHFFFAOYSA-N 310.369 4.463 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 40103190 JLBMRSFPIHYWID-LLVKDONJSA-N 306.312 4.171 0 40 DIAB Cc1ccc2cc(C(=O)Nc3ccc(N(C)C)cc3C)[nH]c2c1 40111616 VJHZZEMQDVQACA-UHFFFAOYSA-N 307.397 4.103 0 40 DIAB CCOc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3C)sc2C)cc1 40159997 BQYLIENQHPLNMC-QMTHXVAHSA-N 316.426 4.112 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(Cl)cc1OC 43214377 ZIJPTOJFRFEXAE-UHFFFAOYSA-N 312.793 4.045 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57412291 NUIRZLIXWFTYAT-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CC(C)Cn1ccnc1NC(=O)c1cc2c(s1)CCCCC2 58406089 FQIFLMPFEPTJJX-UHFFFAOYSA-N 317.458 4.122 0 40 DIAB O[C@H](CSCc1cc(-c2cccs2)on1)c1ccccc1 65477772 UUCQXOBDPYATQP-CQSZACIVSA-N 317.435 4.370 0 40 DIAB O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccsc1 70868068 ZGNBPCLWQPXFAZ-UHFFFAOYSA-N 319.279 4.081 0 40 DIAB Cc1nc(C[S@](=O)Cc2c(Cl)cccc2Cl)cs1 78556189 JWINAMLUGPHSEJ-GOSISDBHSA-N 320.266 4.207 0 40 DIAB C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(C(F)(F)F)cc1 95960857 UCEBJRYNJBAOGW-HPEDKQMDSA-N 313.363 4.170 0 40 DIAB COc1cccc2sc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)nc12 107326324 XXHQXEMNIJEICA-SDDRHHMPSA-N 316.426 4.070 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 113959492 DNHGSMMDDRYRHD-UZLBHIALSA-N 323.436 4.265 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 216889443 HEYJLFHJDGQWHJ-WEVVVXLNSA-N 320.747 4.244 0 40 DIAB CCCCCNC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225263804 OAVIQYLHJGVULM-UHFFFAOYSA-N 321.424 4.458 0 40 DIAB Cc1csc(C(=O)N2CCc3cc(-c4ccncc4)ccc32)c1 225637990 NPSBUGZRPLQCOI-UHFFFAOYSA-N 320.417 4.321 0 40 DIAB COc1ccc2c(c1)C[C@H](C)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 504623513 IDFSOCUPRSHPDU-FOJBRIDWSA-N 300.442 4.158 0 40 DIAB Fc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn12 49411 HBDIJLRIZVJIHV-UHFFFAOYSA-N 315.657 4.208 0 40 DIAB O=c1[nH]c(=S)[nH]c2sc3c(c12)CC1(CCCCC1)CC3 305831 CVUIWNYQLQLRRR-UHFFFAOYSA-N 306.456 4.086 0 40 DIAB COc1ccc(CN(C(=O)c2ccco2)c2ccccc2)cc1 411644 XLXTXHXBCFANKQ-UHFFFAOYSA-N 307.349 4.135 0 40 DIAB CC(C)C[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2344551 VZUIUTWVGFSQKE-VXGBXAGGSA-N 311.809 4.052 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 3480106 FZJMOVNGQJWXBE-NSHDSACASA-N 324.207 4.077 0 40 DIAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CC2 3846872 PVBHAUBUOVCYIN-DFOVFBODSA-N 322.445 4.185 0 40 DIAB biogenic CN(C)CCCN1C[C@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@@H]2C1 4946261 BTJLGJXSCRPCIT-WOZUAGRISA-N 316.533 4.177 0 40 DIAB CC(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 5054950 XGHHNMAZHYUODQ-UHFFFAOYSA-N 316.788 4.187 0 40 DIAB COc1cc(SC)ccc1C(=O)Nc1cc(F)ccc1C 5698959 JPAIMUQNZLFLRG-UHFFFAOYSA-N 305.374 4.117 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2cc(F)ccc2C)c1 6966927 IHPWUXZYUXSTLT-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB c1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 7343600 RTESZEKANIAJBC-IBGZPJMESA-N 322.408 4.357 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 7547771 PBOFOVSXMOCXMD-LJQANCHMSA-N 324.424 4.176 0 40 DIAB O=c1c2ccccc2ncn1-c1ccc2c(c1)oc1ccccc12 8306525 ZAVCZWPXXOPLCW-UHFFFAOYSA-N 312.328 4.285 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]1c1cccs1 9577741 UCAUNCPTLXLPLM-ATWMFIQVSA-N 324.405 4.266 0 40 DIAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccnc(Cl)c2)cc1 12813572 RLSKKRBSVFSLDL-ZDUSSCGKSA-N 316.832 4.425 0 40 DIAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(OC(F)F)cc1 13019469 YSUNLGYNPDFQQF-QMMMGPOBSA-N 315.703 4.025 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCCC(C)(C)C1 20111686 IUZTYTVOSWYMCA-INIZCTEOSA-N 303.446 4.109 0 40 DIAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc(F)cc2)cs1 23325087 ZNBZZWJIBHZMCX-NSHDSACASA-N 302.374 4.244 0 40 DIAB Cc1noc(C)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 24364281 CBPBSCBBNLRTIR-UHFFFAOYSA-N 322.408 4.036 0 40 DIAB CC[C@H](C(=O)Nc1cc(-c2ccccc2)n[nH]1)c1ccccc1 32611727 UXKWSFYENXMLBF-INIZCTEOSA-N 305.381 4.209 0 40 DIAB O=C(CSc1ccc2ccccc2c1)NCCc1ccccc1 32696293 JVNIONDKOWEXBL-UHFFFAOYSA-N 321.445 4.291 0 40 DIAB Cc1ccc2cc(C(=O)N[C@@H](C)c3cccs3)c(C)nc2c1 32699300 AXSUCWAIKBFROP-ZDUSSCGKSA-N 310.422 4.404 0 40 DIAB COc1ccc2nc(C(=O)Nc3c(C)cc(C)cc3C)ccc2c1 32868765 XFJSJWYLZXGYLA-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB COC(=O)c1c(CCc2cccc3ccccc23)cccc1OC 35973641 OAHNIFFYKFPYKJ-UHFFFAOYSA-N 320.388 4.420 0 40 DIAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cccnc1 38151024 BROIOQNTPQBBCA-MRXNPFEDSA-N 320.329 4.458 0 40 DIAB OCc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl 44601995 AVNSPVMYCDHHAU-UHFFFAOYSA-N 319.191 4.338 0 40 DIAB CCc1cc(N)cc(C)c1NC(=O)c1cccc(OC(C)C)c1 45889288 DCIZRAPPXANKGE-UHFFFAOYSA-N 312.413 4.179 0 40 DIAB Cc1nn(C)c2c1[C@H](c1cccc3ccccc13)SCC(O)=N2 49550232 JZZNKOIYGRQYGG-KRWDZBQOSA-N 323.421 4.306 0 40 DIAB Cc1ncc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)s1 64007211 NPERFXIWQQZBNW-KRWDZBQOSA-N 315.486 4.145 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCc3ccccc32)c1 69634247 WSLLSYYEPKXNRS-MRXNPFEDSA-N 323.436 4.475 0 40 DIAB O=C(CCc1ccc2c(c1)CCO2)Nc1cccc2ccccc12 71415914 NNPYFQLYLAMSDX-UHFFFAOYSA-N 317.388 4.346 0 40 DIAB CC(C)c1nc([C@@H](C)NC(=O)c2cccc(F)c2F)cs1 71907670 VNYMKOIQUTWHSY-SECBINFHSA-N 310.369 4.036 0 40 DIAB Cc1ccc(CN2Cc3cc4c(C)ccc(C)c4nc3OC2=O)o1 72396333 UXPOHNVXRAQQPT-UHFFFAOYSA-N 322.364 4.268 0 40 DIAB Cc1cc(C(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1F 89064294 AYMFLTZPJOUWBG-UHFFFAOYSA-N 304.189 4.061 0 40 DIAB Cc1cc(NCCCN2CCc3ccccc32)c2ccccc2n1 89583192 IDUWUBKLLOYPGR-UHFFFAOYSA-N 317.436 4.408 0 40 DIAB Cc1nccn1Cc1cccc(CN[C@@H](C)c2ccc(F)cc2)c1 95420121 FJZFRHZXRYGPFX-HNNXBMFYSA-N 323.415 4.230 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1 100530342 LCFRXYNGFSBFGV-UHFFFAOYSA-N 308.362 4.103 0 40 DIAB CSC(=S)n1/c(=N\c2ccccc2)sc2ccccc21 100762094 QADBXBOUARKICU-JQIJEIRASA-N 316.476 4.431 0 40 DIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N[C@H](C)c2cccs2)o1 110510318 LJGFIOPKGDDHEI-QIHJHPAJSA-N 301.411 4.355 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 113959489 DNHGSMMDDRYRHD-OXQOHEQNSA-N 323.436 4.265 0 40 DIAB CNCCCN1c2ccccc2Sc2ccc(C(C)=O)cc21 195784480 QKKCZZZKOLDHBD-UHFFFAOYSA-N 312.438 4.101 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)c(Cl)c1 222571092 SMRKRAFDWLZTSC-UHFFFAOYSA-N 324.211 4.468 0 40 DIAB Cc1ccccc1CSCC(=O)NC[C@H](C)c1ccccc1 223397576 AULZUSBPCQIYEM-INIZCTEOSA-N 313.466 4.148 0 40 DIAB CCNC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223868781 GWHCVANYPKXZEX-UHFFFAOYSA-N 323.874 4.193 0 40 DIAB CCCCOCc1cc(C(=O)NCCC(C)C)ccc1OCC 224731141 NCTPTAKZLZOOLD-UHFFFAOYSA-N 321.461 4.178 0 40 DIAB COc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1C(C)C 225657205 RLDONGTYUJVAEQ-VBQJREDUSA-N 301.430 4.045 0 40 DIAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3C)nn2)c1 408529815 OTWYVYBDOLINHF-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB Cc1nc2ccc(NC(=S)N(C(C)C)C(C)C)cc2s1 408978061 KLZCZSALNUZDOT-UHFFFAOYSA-N 307.488 4.420 0 40 DIAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl 34685 QHSMBBOWIOPPGG-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB CCOC(=O)c1sc(Nc2cccc(Cl)c2C)nc1C 98754 AXBDDALQAAFOQH-UHFFFAOYSA-N 310.806 4.334 0 40 DIAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1OCC 147594 DUQZGIXVCUORIX-ACCUITESSA-N 312.365 4.103 0 40 DIAB Cn1ncc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1Cl 160116 LZDIOCALCNGMMR-UHFFFAOYSA-N 316.792 4.088 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 421866 JVFDTFQZTGRKPJ-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C\c2cn(C)c3ccccc23)C1=O 980894 NBXPZAHAEKDHRP-GPILYODUSA-N 314.410 4.013 0 40 DIAB CC(C)SCC(=O)SC(=O)Nc1cccc(Cl)c1 1676302 ZTIAZRVSAJXHGW-UHFFFAOYSA-N 303.836 4.273 0 40 DIAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 3363713 RXNQGXGGBTUNCO-CQSZACIVSA-N 300.427 4.150 0 40 DIAB C[C@H]1CC[C@](C)(C(=O)CCOC(=O)c2ccccc2)C1(C)C 3846204 IPBDLLZTLRWMHS-IFXJQAMLSA-N 302.414 4.265 0 40 DIAB biogenic Cc1cc(-c2ccc(Br)s2)nc(-n2cccc2)n1 4088715 DMIQCCQPGJOZFK-UHFFFAOYSA-N 320.215 4.067 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 4775589 JFQMKCWPZYHJAE-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 5740400 BSWDFFAEDGCCHJ-WJDWOHSUSA-N 324.405 4.101 0 40 DIAB Cc1cc(OC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1 6880712 UUJUJDCXSHLCJS-UHFFFAOYSA-N 312.756 4.053 0 40 DIAB O=C(NCCC1=CCCCC1)c1ccc(N2CCCCC2)cc1 7504768 KPDIEZRJGMURSV-UHFFFAOYSA-N 312.457 4.297 0 40 DIAB Fc1ccccc1COc1ccccc1CNCc1ccco1 7523628 PTVHZSPQSNGDHS-UHFFFAOYSA-N 311.356 4.288 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(NC(C)=O)s1 8772638 GIIPCYKZMDMDKD-LLVKDONJSA-N 316.426 4.472 0 40 DIAB CSc1ccccc1C(=O)NCCCc1ccccc1Cl 10542290 PJNVHJAHYNMEBS-UHFFFAOYSA-N 319.857 4.425 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1F 16470066 CHZLVYULNGZSPO-UHFFFAOYSA-N 311.278 4.334 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCc1ccccc1F 40098982 OKIRJHBVYDQYOW-UHFFFAOYSA-N 300.377 4.272 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 44843627 BDGVVGBOTIBYFE-CYBMUJFWSA-N 319.857 4.479 0 40 DIAB C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccccc1 48167605 MVKJMHMBBCPJNJ-MRXNPFEDSA-N 309.409 4.307 0 40 DIAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 60769366 JBAILLBGIPQRQK-UHFFFAOYSA-N 315.177 4.095 0 40 DIAB COc1ccc(-c2cc(-c3ccccc3Cl)nc(N)n2)cc1 71977350 RCMKYHDDFSSBJB-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB O=C(N1CCc2ccccc2C1)C1(c2ccccc2)CCCC1 96648187 MRGTXFCUAMPOGA-UHFFFAOYSA-N 305.421 4.083 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1ccccn1)CC2 186105026 OEHLIVGBMPKWIX-AUUYWEPGSA-N 323.440 4.253 0 40 DIAB O=C(/C=C/c1ccco1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206669384 OBGXWUHZPYNBFN-SIFUEBAJSA-N 313.372 4.228 0 40 DIAB Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 224055000 PDQSBMMUMLXSFL-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CCCOCc1cc(C(=O)N2CCCCCC2)ccc1OCC 224708953 MXSSDPUYZUBMOJ-UHFFFAOYSA-N 319.445 4.028 0 40 DIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)c(Cl)c1 225740893 JFJPSYMWCJHSCB-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB CC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 257325447 WSYVAQWTEGVRAS-FEBARNBZSA-N 321.505 4.015 0 40 DIAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 585100302 JVUXNZYQENGYRY-XLIONFOSSA-N 320.521 4.212 0 40 DIAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC)cc12 36620 QJUANFLACZTKLM-UHFFFAOYSA-N 309.365 4.124 0 40 DIAB O=C1OC(c2ccccc2Cl)=N/C1=C\C=C\c1ccccc1 177051 ABPUTYYWMHMIBI-FLIHGVEMSA-N 309.752 4.241 0 40 DIAB Cc1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C 3453144 NGNCKZYAWQSJTE-UHFFFAOYSA-N 322.437 4.444 0 40 DIAB CN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCCCC1 4134950 WLDGRMKVGZIREZ-UHFFFAOYSA-N 314.401 4.249 0 40 DIAB CC[C@@H](C(=O)c1ccc(Cl)cc1)N1Cc2ccccc2C1=N 4247089 MXHVSVSFQWGVRX-INIZCTEOSA-N 312.800 4.142 0 40 DIAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1Cl 4678503 XPQACMNNLDDMAA-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB COc1ccc2oc(C(=O)OCc3cccs3)c(C)c2c1 7264888 LSUOVHKMEHVMCI-UHFFFAOYSA-N 302.351 4.168 0 40 DIAB Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 7468680 ONBLHLMLSZPWCY-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 8492792 FEKIGIHWGJCUHH-AWEZNQCLSA-N 307.752 4.275 0 40 DIAB CCCCN(C)Cc1c(C)nc2ccc(OCCC)cc2c1O 8717130 CCWGOAGHZASTSQ-UHFFFAOYSA-N 316.445 4.270 0 40 DIAB Cc1cccc(C)c1NC(=O)CNc1cccc(Cl)c1F 11623822 UDOZUZYCYUZKTH-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12604302 XEIJNUSKQSFFNZ-GOSISDBHSA-N 319.408 4.103 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1 12821650 SYTRKQPQYFLOTD-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1nc(Cl)ccc1Cl 13570014 PERFDQDADQVSGY-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 14006940 LHWHPQNPIQGEOB-JTQLQIEISA-N 310.180 4.399 0 40 DIAB O=C(Nc1ccccc1)N(Cc1ccccc1)c1ccccn1 16739879 ZKTBCSZBTCZAKB-UHFFFAOYSA-N 303.365 4.320 0 40 DIAB COC(=O)/C=C(\C)Nc1ccc(Cc2ccc(Cl)cc2)cc1 17423874 HGHJEARBGSCKJD-ACCUITESSA-N 315.800 4.420 0 40 DIAB Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC[C@@H]2CCOC2)cc1 19336265 PEGLNXLVCZXCRE-CTXVOCDESA-N 319.876 4.238 0 40 DIAB CCCCCn1c(=N)n(CCOc2ccccc2)c2ccccc21 19900369 NOERJGNUWOHOTO-UHFFFAOYSA-N 323.440 4.191 0 40 DIAB O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 19926875 DJCSMYQGUHPCBC-OAHLLOKOSA-N 307.777 4.258 0 40 DIAB C[C@H](NC(=O)c1cccs1)c1cccc(Br)c1 20025449 LDQHPFQCYKHEKV-VIFPVBQESA-N 310.216 4.002 0 40 DIAB O=C(CSc1ccc(F)c(Cl)c1)NC1CCCCCC1 21410384 DQVWDRDSBRFFSM-UHFFFAOYSA-N 315.841 4.410 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)s1 24069963 IOCCWJCWNZUCPE-UHFFFAOYSA-N 315.847 4.128 0 40 DIAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31389408 QWUXGEKKOVZDRP-CYBMUJFWSA-N 302.443 4.396 0 40 DIAB O[C@@H](c1ccccc1)[C@H](NCCc1ccccc1)c1ccccc1 31962133 SLMTURVZZPYFOH-YADHBBJMSA-N 317.432 4.294 0 40 DIAB Cc1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 32913988 RRJJTLSOFISMMJ-UHFFFAOYSA-N 322.433 4.224 0 40 DIAB CC[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 33232310 DTYXJHQAHDLIPA-OAHLLOKOSA-N 320.392 4.265 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)C1 38567185 JASKULAVZBNNHB-HNNXBMFYSA-N 319.326 4.335 0 40 DIAB C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccs1 40071111 UTUOQVGVIVAFKU-AAEUAGOBSA-N 318.467 4.345 0 40 DIAB CC(C)(C)c1ccc(CNC[C@@H](O)c2ccc(F)cc2F)cc1 40088603 UIMQVTQYGDWWAD-GOSISDBHSA-N 319.395 4.086 0 40 DIAB Cc1cc(N)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 45889028 TXINNVYJLXDDSW-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB Cc1noc([C@H](C)N2CCC(c3c(C)[nH]c4ccccc34)CC2)n1 52464955 WEYZOMRZFXCACO-ZDUSSCGKSA-N 324.428 4.108 0 40 DIAB Cc1noc(C)c1CNC(=O)Nc1ccccc1-c1ccccc1 67544008 CIUSZRXSRDAQMH-UHFFFAOYSA-N 321.380 4.280 0 40 DIAB CC(C)c1csc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)n1 69581556 ZETYOEZTOWXOHE-GFCCVEGCSA-N 315.442 4.027 0 40 DIAB O=C(Nc1ccc2c(c1)CCCN2)c1ccc(F)cc1Cl 71214827 FNDFURCYUHIFBC-UHFFFAOYSA-N 304.752 4.090 0 40 DIAB c1coc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)c1 72396564 POKZCYSFSGAKAA-UHFFFAOYSA-N 307.309 4.202 0 40 DIAB Cc1cccc([C@H]2CCCCN2C(=O)Nc2ccncc2)c1C 75537736 NNCJTTFSUQQBGY-GOSISDBHSA-N 309.413 4.458 0 40 DIAB CC(C)(C)c1ccc(OCc2nnc(-c3ccc(N)cc3)o2)cc1 85386071 ANBQQNBRKHHJRF-UHFFFAOYSA-N 323.396 4.195 0 40 DIAB O=C1NCC[C@@H]1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 95971776 WGALHKDXVVZRPS-HOTGVXAUSA-N 317.841 4.051 0 40 DIAB Cc1cc(NC(=O)NC(c2cccs2)c2cccs2)on1 96415122 DYKCESMQRGHINN-UHFFFAOYSA-N 319.411 4.017 0 40 DIAB CC(C)OCCSc1ncnc2sc3c(c12)CCCC3 97569421 BHPTZGFNTCGGNV-UHFFFAOYSA-N 308.472 4.087 0 40 DIAB O=C(c1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccc(F)cc12 199720907 CDPGNLWWYXQIQO-UHFFFAOYSA-N 323.245 4.437 0 40 DIAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225605648 PQQHSSPCBLGMLK-IBGZPJMESA-N 319.445 4.398 0 40 DIAB CC1(NC(=S)Nc2ccc(F)c(Cl)c2)CCCCC1 225857082 QHWYAWICCSCWJT-UHFFFAOYSA-N 300.830 4.488 0 40 DIAB NC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258171 UEKJNKMXQJLFBN-ZZXKWVIFSA-N 315.678 4.117 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260613221 DUTPLQYTMLZYHP-WBMJQRKESA-N 307.409 4.116 0 40 DIAB CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](CCF)C2)cc1 585101664 LAFXNXXVQZXVNP-AWEZNQCLSA-N 320.408 4.129 0 40 DIAB ClC(Cl)(Cl)COc1cccc(Br)c1 1083810995 KFJQYOIXOPUBQC-UHFFFAOYSA-N 304.398 4.198 0 40 DIAB Cc1nc(-c2ccc(C(F)(F)F)cn2)nc(Cl)c1Cl 166561 XPSRRALZUQMMEL-UHFFFAOYSA-N 308.090 4.173 0 40 DIAB O=C(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Cl 267814 NCPUCAAKQCJYOG-UHFFFAOYSA-N 324.163 4.017 0 40 DIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1 386074 UBRWCORWDISBIH-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB C/C(C(=O)O)=C(/Cl)c1c(C)cc(C)c(Br)c1C 2048641 YEGQXLHJORQHOM-XFXZXTDPSA-N 317.610 4.429 0 40 DIAB COc1ccc(C(=O)COc2cccc3ccccc23)cc1OC 2646578 SUNNWMWUNYMVDN-UHFFFAOYSA-N 322.360 4.119 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(C)cc2Cl)c(C)c1 3533917 VZSGPCCFWDNZFH-UHFFFAOYSA-N 302.805 4.316 0 40 DIAB CO[P@@](=O)(/C=C/c1ccccc1)[C@H](O)c1ccc(F)cc1 4327830 XBRSJZRDJLPUJU-WHGKXJBRSA-N 306.273 4.412 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)NCCSC(C)(C)C)cc1 4691368 IDMBNWNVTHNCSX-ZDUSSCGKSA-N 311.516 4.124 0 40 DIAB Cc1cc(Nc2ccc3ccccc3n2)n(-c2ccccc2)n1 6330550 JWCFOGOSZKNAGJ-UHFFFAOYSA-N 300.365 4.473 0 40 DIAB CC1(C)[C@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@]1(C)C(=O)O 6855892 OYOJTMJWKBYBKK-MGPLVRAMSA-N 306.793 4.211 0 40 DIAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2ccccc2s1 6879825 YOZNYFHNZVLWET-HIFRSBDPSA-N 312.438 4.316 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1 9064431 FRZVORJEMZKIDU-CYBMUJFWSA-N 300.427 4.379 0 40 DIAB CC(C)Cc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 9137314 GEGUFWGCPQSXOD-UHFFFAOYSA-N 310.810 4.034 0 40 DIAB Cc1ccc(C)c(CSc2ccc(-n3nc(C)cc3C)nn2)c1 11140159 PSOLESLPUHVNFH-UHFFFAOYSA-N 324.453 4.188 0 40 DIAB O=C(Nc1nnc(C2CC2)s1)c1cc2ccc(F)cc2s1 12762681 RHLZPBHIWWIQPW-UHFFFAOYSA-N 319.386 4.022 0 40 DIAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1CCc1ccccc1 13688262 ZBOJBBVVBRWXGZ-FBBABVLZSA-N 319.448 4.390 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)n1ncc2c1CCCC2 16385507 RYMGPVNHJCWPCG-UHFFFAOYSA-N 310.184 4.149 0 40 DIAB COC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 20160500 PPXWSBPJGDZRGG-UHFFFAOYSA-N 315.550 4.149 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 22513275 ZUDPYURFYMOZKD-KRWDZBQOSA-N 311.425 4.004 0 40 DIAB Cc1cc(C)cc(-n2ccnc2S[C@H]2CCCCC2=O)c1 26045744 CYBFBZPYKWAFNK-INIZCTEOSA-N 300.427 4.093 0 40 DIAB CC(C)c1ccc([C@@H](NC(=O)C2CCOCC2)C(C)C)cc1 26393064 FMUDYQGIEZEZNR-SFHVURJKSA-N 303.446 4.050 0 40 DIAB Cc1ccc2c(CC(=O)Oc3cccc4cccnc34)coc2c1 27587410 HACXZSHJWPHAHK-UHFFFAOYSA-N 317.344 4.438 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1Nc1ncnc2ccsc12 32853579 BFLQNBXCRLGBQM-UHFFFAOYSA-N 321.409 4.237 0 40 DIAB CC(C)(C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 33012656 ONTWYOHARSVYNB-UHFFFAOYSA-N 321.380 4.388 0 40 DIAB CC[C@@](C)(Nc1ccccc1C)c1nnnn1-c1ccccc1C 35622095 JPMSVBBGDKZACV-LJQANCHMSA-N 321.428 4.016 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2ccccc2Cl)cc1 36559412 KVEMRCAUTGKRNN-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB O=C(NCc1ccccc1Cl)c1[nH]c2ccccc2c1Cl 40143285 CMOSVPQMOKJENB-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)no1 45261995 XRGCLFDOLKPWSI-SECBINFHSA-N 313.184 4.123 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(F)ccc(F)c23)cc1 64874880 BVYVRAKICWOHJC-UHFFFAOYSA-N 314.291 4.043 0 40 DIAB C[C@H](Nc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72207684 MCBPVMCGHKCZAR-GJZGRUSLSA-N 304.434 4.134 0 40 DIAB Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)c1 72285957 RYGXLFUJRGEYDT-MRXNPFEDSA-N 314.454 4.138 0 40 DIAB OC1CCC(N[C@@H](Cc2ccccc2)C2CCCCC2)CC1 90800264 MUECINOJDURIQD-MHJFOBGBSA-N 301.474 4.071 0 40 DIAB c1ccc(CNc2nc(-c3ccc4nsnc4c3)cs2)cc1 96124476 KREONJOSJIBQHY-UHFFFAOYSA-N 324.434 4.427 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1 96586375 YZZNUFFMFBGDMX-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB CCOc1ccccc1NC(=O)CSc1cccc(Cl)c1 98087037 WJDUQTGXZCXBDW-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1ncnc3ccccc13)C2=O 100928255 XRMHCDORAISTQA-PNPHSEOMSA-N 312.438 4.116 0 40 DIAB CCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 107058470 UCZCMIPOXXIESO-YRNRMSPPSA-N 324.468 4.137 0 40 DIAB Cc1cccc(COc2ccc(C(=S)N3CCCC3)cc2)c1 107588946 BXIYILZDGJCSSW-UHFFFAOYSA-N 311.450 4.345 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1 138834185 RQTYWHQWXXCWCF-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223223538 BEDCCYCSIJTDIO-INIZCTEOSA-N 317.429 4.341 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 263597453 GUBNWXDDDXQJOQ-WYZVAZFISA-N 306.490 4.141 0 40 DIAB Cc1ccc(-c2nnc(SC(=O)c3cccs3)o2)cc1 408598872 BZWIHSXZMCYMSI-UHFFFAOYSA-N 302.380 4.039 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1C 298939 VUHDKBNHFZGKSW-UHFFFAOYSA-N 315.442 4.455 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 579775 CDMZBCBVXSXGCA-NSHDSACASA-N 324.207 4.077 0 40 DIAB Cc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2)C1=O 1004916 HQWYUZUGBQAVDU-LFIBNONCSA-N 324.405 4.101 0 40 DIAB Cc1ccc(S[C@@H]2CCS(=O)(=O)c3sccc32)cc1 1398497 MISSRLDOAHKKIV-CYBMUJFWSA-N 310.465 4.067 0 40 DIAB CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 2069844 AVFNCBBYKDMYGP-LLVKDONJSA-N 311.809 4.282 0 40 DIAB CCCC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 3901578 JJKXPKJVQBEWSJ-UHFFFAOYSA-N 308.333 4.166 0 40 DIAB biogenic Clc1ccc(OCc2noc(-c3ccnc(Cl)c3)n2)cc1 4280824 GGZOXARTFGTRNW-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB Cc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1 4355468 LCDSCDPGCCCYGI-UHFFFAOYSA-N 320.417 4.427 0 40 DIAB CCc1ccccc1NC(=O)COc1cccc2ccccc12 4666188 UOAHCPHQYKZFLO-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 4696231 HMKIZDOYCBLZKY-UHFFFAOYSA-N 316.788 4.187 0 40 DIAB COc1ccc(-c2n[nH]c(SC/C=C/c3ccccc3)n2)cc1 6604380 WSIXTNLGLTWRRV-VMPITWQZSA-N 323.421 4.286 0 40 DIAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Oc2ccccc2)cc1 8118002 MUPHBPADHQLXBF-UHFFFAOYSA-N 321.380 4.082 0 40 DIAB CC(C)c1cc(=O)c2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]1 8391734 YFVLGDQLKMNKKE-UHFFFAOYSA-N 309.413 4.135 0 40 DIAB O=Cc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 11735069 YILZNCAHPPOVGG-UHFFFAOYSA-N 305.164 4.204 0 40 DIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2)cc1 13166761 UGWSYCHRCTVOSR-LFYBBSHMSA-N 309.365 4.160 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccc(Cl)nc1Cl 13571072 XMVCILMJLIEDRU-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1 13689003 OXKHWKYGTNDTPY-CVEARBPZSA-N 319.404 4.485 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N1CCCc2ccccc21 13994776 UAXHHOGSPSKPOF-SFHVURJKSA-N 309.409 4.132 0 40 DIAB COc1ccc(C)cc1NC(=O)CCSc1ccc(C)cc1 15082391 FNKPQSLFQFHEGD-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB CC(C)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1 16575922 CYEQEMHNKWWHID-UHFFFAOYSA-N 323.845 4.405 0 40 DIAB CC[C@H](C)[C@@H](C(=O)NCc1nc2ccccc2[nH]1)c1ccccc1 16694490 WIFHAFODCFZSSN-IFXJQAMLSA-N 321.424 4.009 0 40 DIAB Cc1nc([C@H]2CCCN(CCc3ccccc3)C2)c2ccccn12 19240664 NIMOGNJKBGGHHD-IBGZPJMESA-N 319.452 4.065 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20137473 UYYMNSMHQAAXBD-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB Cc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28303884 RJJXNCDNPPPCKY-INIZCTEOSA-N 304.393 4.277 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)c1 32893532 FIGKCGLALJEETD-BLLLJJGKSA-N 314.385 4.076 0 40 DIAB Cc1ccc(CNc2ccc(OCC(F)(F)F)nc2)s1 36935233 VYWCQJFTJULZSZ-UHFFFAOYSA-N 302.321 4.005 0 40 DIAB Cc1cc(NC(=O)N2CCCC[C@@H]2C)ccc1Br 40097474 RDIMZIYVMDVWOK-NSHDSACASA-N 311.223 4.164 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2)cc1 41125368 WWLCCOLCZXNWPN-GFCCVEGCSA-N 302.757 4.077 0 40 DIAB CN(Cc1ccccc1Cl)C(=O)Nc1cccc2[nH]ccc12 60349726 OWYBJJSHVNSPOT-UHFFFAOYSA-N 313.788 4.485 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2cc(C)ccc2F)c1 71325938 CGWZDTIUSIWMKA-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB O=C(Nc1ccc(Oc2ccnc3ccccc23)cc1)C1CC1 95959115 UAZVVGNGYJSOFK-UHFFFAOYSA-N 304.349 4.376 0 40 DIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)N(C)C)(C4)C2)C3)cc1 100864057 PZMPPOPMSOAIRI-AMZMEHNNSA-N 311.469 4.311 0 40 DIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 138810481 VENABCBLUWMVMR-INIZCTEOSA-N 311.425 4.122 0 40 DIAB O=C(NCCCc1cc2ccccc2o1)c1c(F)cccc1F 390831825 VGNFHJZTKGLOHY-UHFFFAOYSA-N 315.319 4.074 0 40 DIAB c1cnc(Oc2ccc(-c3noc(CCC4CCC4)n3)cc2)nc1 546337117 YQDZWUZUXNOCQT-UHFFFAOYSA-N 322.368 4.052 0 40 DIAB COc1cc2ncnc(Nc3cc(C)ccc3C)c2cc1OC 1386800 GXOXVSHIWIPFMC-UHFFFAOYSA-N 309.369 4.007 0 40 DIAB CCSC(SCC)c1ccnn1C(=O)Nc1ccccc1 1402460 HKVVGQIDJBDPHG-UHFFFAOYSA-N 321.471 4.468 0 40 DIAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 4429093 AESDMFRTIWNVNV-QOZYLPSNSA-N 318.501 4.307 0 40 DIAB Cc1nc2ccc(C(=O)O[C@@H](C)c3ccc(F)cc3)cc2nc1C 5518799 JRNHXYSGWNIHNZ-ZDUSSCGKSA-N 324.355 4.304 0 40 DIAB C[C@]12CC[C@@H]3[C@@H](CCC4=CCCC[C@@]43C)[C@H]1C/C(=N/O)C2=O 5529919 KGLKVWLSEPPSBO-PHOUCUOXSA-N 301.430 4.349 0 40 DIAB CC(C)(C)c1cc2cc(C(C)(C)C)cc3c(=N/O)/c(=N\O)c(c1)c23 6363951 RFBKFDFNCGIYJN-SVJWQLCWSA-N 324.424 4.043 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncccn1 6913104 QUTMTVJYOPEAKY-STQMWFEESA-N 315.442 4.109 0 40 DIAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F 7671684 KLGIDXITCHEVTC-SNVBAGLBSA-N 301.292 4.202 0 40 DIAB CC(C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699782 CERIWKHSLYOMLN-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB O=C(/C=C/c1nc2ccccc2s1)Oc1ccc2c(c1)CCC2 7813756 IUAPKHQBCKNPLD-ZHACJKMWSA-N 321.401 4.404 0 40 DIAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(C)cc1 8019270 OKURXVFDLWSDIL-PKNBQFBNSA-N 312.365 4.071 0 40 DIAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2cccs2)c1 8320453 QFAWNFYYYMSLQE-MRXNPFEDSA-N 314.454 4.141 0 40 DIAB c1ccc([C@@H](Nc2ncnc3sccc23)c2ccco2)cc1 8325366 PDSRWQKNANIQQS-OAHLLOKOSA-N 307.378 4.486 0 40 DIAB Cc1occc1-c1nc(NC2CCCC2)ncc1-c1ccccn1 12222850 WNFYOFLJTSITRN-UHFFFAOYSA-N 320.396 4.462 0 40 DIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccccc1)C(=O)O3 12236760 AREXGCAEHAUKEM-UHFFFAOYSA-N 318.376 4.366 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12672970 KYHBUFSRGTXJQT-BEFAXECRSA-N 308.425 4.063 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c(C)c1 12740545 WINKROKPIQQTBD-CYBMUJFWSA-N 323.396 4.192 0 40 DIAB C[C@@H](NC(=S)Nc1ccccc1OC(F)F)c1ccccc1 17056010 OFMHBILTQHUPMK-LLVKDONJSA-N 322.380 4.336 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)cc1)c1cccc(Br)c1 20025395 HRXWPWFTFICUPF-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB Cc1cccc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)c1 20632674 INEUFQZXDOVMLG-MRXNPFEDSA-N 302.377 4.093 0 40 DIAB Cc1[nH]c2c(C(=O)N[C@@H]3CCOc4ccccc43)cccc2c1C 24568112 IOULPGDTBDKNCM-QGZVFWFLSA-N 320.392 4.038 0 40 DIAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccccc3)cc2s1 25425827 PBRLHHXPSJESGX-LLVKDONJSA-N 311.410 4.044 0 40 DIAB c1ccc2oc(NCc3ccc(CN4CCCCC4)cc3)nc2c1 29396395 KKWWBGPLBHZRSV-UHFFFAOYSA-N 321.424 4.426 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1F 30549959 DOFVJGSOWBPYRA-VIFPVBQESA-N 309.793 4.300 0 40 DIAB C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccc(Cl)cc1 31881289 GYWGMBVOZPGPMX-LLVKDONJSA-N 323.770 4.428 0 40 DIAB Cc1ccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 32609938 SQGXKPPWOGQECF-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB CS[C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 42853373 JIQXHPWYHGTEMU-YPMHNXCESA-N 320.483 4.101 0 40 DIAB Fc1cc(F)cc(NC(=S)Nc2ccc(F)cc2F)c1 53584286 UDDFZLXMZAHFJF-UHFFFAOYSA-N 300.280 4.052 0 40 DIAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)no1 56342221 SYIKOJSWDFXGEE-CYBMUJFWSA-N 305.765 4.005 0 40 DIAB Cc1ccc(SCCC(=O)Nc2c(F)cccc2F)cc1 66280601 BNEXVHTUTYBZIG-UHFFFAOYSA-N 307.365 4.394 0 40 DIAB C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(F)c(Cl)c1 72022219 IEXOPEKPJGENPT-LLVKDONJSA-N 320.795 4.036 0 40 DIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1Nc1ccccc1 72222272 AXIMLWPDRFQLAA-UHFFFAOYSA-N 313.401 4.158 0 40 DIAB CC(C)(C)N(Cc1ccccc1)C(=O)c1c(F)cccc1F 84847421 IOQMLEAYZOPPSC-UHFFFAOYSA-N 303.352 4.406 0 40 DIAB O=C(Cc1cccs1)c1c(F)cc(Br)cc1F 94716634 PXSWNPMOBWCRDJ-UHFFFAOYSA-N 317.154 4.214 0 40 DIAB COc1cccc(OC)c1C(=O)c1cc(Cl)cc(Cl)c1 95916660 UWMAXNAUJXCLOQ-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC(=O)c1ccc2ccccc2c1OC[C@@H](O)c1ccccc1 97139502 FADQKZRQWFGTSF-LJQANCHMSA-N 306.361 4.155 0 40 DIAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 135631984 QGKQXZFZOIQFBI-PTHYOWMMSA-N 306.490 4.141 0 40 DIAB O=C(NC1CCCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254433 HHRYLZUXHVGUHV-UHFFFAOYSA-N 319.408 4.292 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225633015 BQOHRYOICLVJRV-KDOFPFPSSA-N 305.418 4.009 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C)c1 225700249 PHRBVIOKKLPFFD-SFHVURJKSA-N 307.434 4.318 0 40 DIAB COc1ccc2c(c1)Cc1sc(Nc3ccccc3C)nc1-2 408897736 STYVVCQAYAENQT-UHFFFAOYSA-N 308.406 4.775 0 40 DIAB c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 18945 WHMKZOBPYPISHR-UHFFFAOYSA-N 305.425 4.018 0 40 DIAB Cc1cc(C)c2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1 31906 JCIOMOUMIMVHHZ-UHFFFAOYSA-N 319.282 4.491 0 40 DIAB O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1 50470 MFRVCPSFBTUKFT-UHFFFAOYSA-N 316.316 4.109 0 40 DIAB CCCC(=O)Nc1nn(CCC)c2nc3cc(C)ccc3cc12 1292359 HRBASZYMTCIPDC-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB CCOC(=O)[C@H](Oc1ccccc1-n1cccc1)c1ccccc1 1403244 JCDPVAFXEVHKCM-LJQANCHMSA-N 321.376 4.161 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccn1 5269620 CJXZIYCRDBCIFO-UHFFFAOYSA-N 322.795 4.254 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882857 YUHUPQOJSQYNQE-DACLVMHWSA-N 308.381 4.307 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)cc1 6216624 CKVXCLAUCZMQBO-UXBLZVDNSA-N 324.405 4.265 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 6745671 AXCRMAZNGBSNRI-INIZCTEOSA-N 300.789 4.181 0 40 DIAB COc1ccc(CC(=O)OCc2cccc3ccccc23)cc1F 7568870 ONJYXBVBVKNKCE-UHFFFAOYSA-N 324.351 4.273 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 7922639 RFJXPLCMAONGCD-UHFFFAOYSA-N 319.360 4.269 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc2ccccc2[nH]1 8137192 KYERPKPQSBYHCB-UHFFFAOYSA-N 314.772 4.391 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1 8493889 NHBDIOCDRPDVOT-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB O=c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)o2)[nH]c(=S)[nH]1 8782846 PEIAVDPPKPMJNV-UHFFFAOYSA-N 322.748 4.152 0 40 DIAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3)cc12 9076684 OHSBXBNUADQBQA-UHFFFAOYSA-N 313.426 4.315 0 40 DIAB CC(C)OCCCN(Cc1ccncc1)Cc1cccc(F)c1 12147862 ZVVJHXYVCQRZQT-UHFFFAOYSA-N 316.420 4.038 0 40 DIAB Clc1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 12415365 AMRCJUANAKKLDT-UHFFFAOYSA-N 322.755 4.447 0 40 DIAB Cc1ccc(C)c(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 12493019 OLPYTGUTZUINNV-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB CC1CCN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)CC1 12943070 PLNQXCAUHOLKTA-VQHVLOKHSA-N 313.372 4.357 0 40 DIAB CCCCn1c(N)c(C(=O)Nc2ccccc2C)sc1=S 13547204 FIKQTXBGBOKQBN-UHFFFAOYSA-N 321.471 4.222 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 13709961 GKARELQFRCWXLD-SECBINFHSA-N 311.715 4.024 0 40 DIAB CCC/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)[N+](=O)[O-] 16611432 IRHZCQDCMUWUKV-JLHYYAGUSA-N 301.298 4.063 0 40 DIAB in-vitro CCN(CC)c1ccc(NC(=O)c2cc(N)ccc2Cl)cc1 20194238 IJTIBPIFSGSNCP-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB O=C(Cc1cccc2ccccc12)NCC1(c2cccs2)CC1 22680265 LDHXAGKUQOSVHV-UHFFFAOYSA-N 321.445 4.292 0 40 DIAB COc1ccc(C(=O)O)cc1COc1ccccc1C(C)(C)C 24549413 CRAKVVUTILZIIM-UHFFFAOYSA-N 314.381 4.270 0 40 DIAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)CCC(C)C)c(OC)c1 24989244 MYELAABTXWVYOJ-LFAOLKIESA-N 319.445 4.048 0 40 DIAB O=C(CCc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 29687911 LSBGWGMBNYXGOS-GOSISDBHSA-N 313.828 4.466 0 40 DIAB CC1(C)C[C@H](NCC[C@](C)(c2ccccc2)C2CC2)CCO1 32090145 LWNXYDKNRVFMAG-UYAOXDASSA-N 301.474 4.292 0 40 DIAB Cc1ccccc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 32754450 OHIOPSBDXSOSSA-HNNXBMFYSA-N 322.408 4.373 0 40 DIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3c2C1 32998004 IVKFSFTWALNPEC-SOUVJXGZSA-N 324.468 4.411 0 40 DIAB CC(C)(C)N1CN(c2ccccc2)C(=O)N(c2ccccc2)C1 35185215 UGTQHFSAFVIMCM-UHFFFAOYSA-N 309.413 4.149 0 40 DIAB CCc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 40478317 DWOSKAPNOQRBJE-UHFFFAOYSA-N 309.344 4.031 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@H]2CCCC[C@H]2C1 43162319 ZCQSAVUMBZLUAE-ZBFHGGJFSA-N 309.413 4.279 0 40 DIAB CCc1cccc2cc3c(nc12)OCCN(Cc1ccccc1)C3 57712445 UWCZNWOBSICUIE-UHFFFAOYSA-N 318.420 4.192 0 40 DIAB CC(=O)c1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 58159018 GQSANPBKOJICQX-UHFFFAOYSA-N 304.349 4.447 0 40 DIAB C[C@@H]1CCc2ccccc2[C@@H]1Nc1nccc(C(F)(F)F)n1 95447237 LGWIBPBCQNGZPC-QMTHXVAHSA-N 307.319 4.231 0 40 DIAB CCc1c(Cl)nc(-c2ccc(OC)c(OC)c2)nc1Cl 111820870 MQMCNSAGSONWDO-UHFFFAOYSA-N 313.184 4.030 0 40 DIAB CCC[C@H](C)NC(=S)Nc1ccc(Br)cc1F 225382544 NWVNWQTXOJXLEM-QMMMGPOBSA-N 319.243 4.063 0 40 DIAB Cc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)n1 225762485 LFTOECLJAMBSSC-QGZVFWFLSA-N 313.470 4.382 0 40 DIAB CCCc1ncc(-c2nc(-c3cccc4[nH]ccc34)no2)s1 546980535 UNIHHCSHRVOOGU-UHFFFAOYSA-N 310.382 4.294 0 40 DIAB Cc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)o1 2744682 CBVFSHMAQSOEMO-UHFFFAOYSA-N 308.381 4.189 0 40 DIAB Cc1cc(NC(=O)c2ccccc2Br)c(C)cc1O 3074085 MDVKJVMUQMLLKC-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB COc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1 4702322 AWZKYVMSDYUJEK-UHFFFAOYSA-N 301.349 4.072 0 40 DIAB CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 5378859 KSQIQKYPGQEWNP-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB Cc1nnc(-c2ccc(Cl)cc2)c2cn(-c3ccccc3)nc12 5792668 JTIDGCJITBMBGH-UHFFFAOYSA-N 320.783 4.444 0 40 DIAB S=C(NCc1ccco1)Nc1ccc(-c2ccccc2)cc1 6331763 HZOJBBKDKOPWII-UHFFFAOYSA-N 308.406 4.433 0 40 DIAB CC[C@H](C)NC(=O)c1ccccc1OCc1ccccc1Cl 6510164 UUXCRRLVSXMXKY-ZDUSSCGKSA-N 317.816 4.447 0 40 DIAB CC1(C)C[C@@](CCNc2nccs2)(c2ccccc2)CCO1 6759973 HKYNAGMNMRYSFO-SFHVURJKSA-N 316.470 4.472 0 40 DIAB O=C(/C=C/c1cccs1)OCc1nc2ccccc2s1 6890674 LDKGYCRPVSMGOH-BQYQJAHWSA-N 301.392 4.114 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3F)n[nH]2)cc1 9677609 HAJDSFHMXRIRAA-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB O=C1N[C@@H](c2ccc(-c3ccccc3F)s2)Nc2ccccc21 12522205 DHWZPUPOQSDRPB-KRWDZBQOSA-N 324.380 4.408 0 40 DIAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc2ccccc2[nH]1 23764949 LRWYLJYCWBVXMA-LLVKDONJSA-N 314.335 4.279 0 40 DIAB Cc1ccccc1CC(=O)Nc1nc2c(C)ccc(C)c2s1 24553895 AYWDAUUKFHRTAU-UHFFFAOYSA-N 310.422 4.403 0 40 DIAB Clc1cc(/C=C/c2nc3ccccc3o2)cc2c1OCCO2 32717093 DQHXRGSCKFYYPM-AATRIKPKSA-N 313.740 4.423 0 40 DIAB CC(=O)Nc1ccc(C(=O)CSc2ccc(C)cc2)c(F)c1 40068579 QRFAGSPTNQEYKE-UHFFFAOYSA-N 317.385 4.068 0 40 DIAB Cc1ccc(CCCC(=O)Nc2ccccc2CN(C)C)cc1 52666275 SPJVRXNPLORYDU-UHFFFAOYSA-N 310.441 4.018 0 40 DIAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1N 57340512 ACQNQCYHUBRRSD-UHFFFAOYSA-N 318.804 4.027 0 40 DIAB c1ccc2c(c1)ncn2Cc1ccc(CNC2CCCC2)cc1 57971910 LVRRAALIEDLEHK-UHFFFAOYSA-N 305.425 4.117 0 40 DIAB O=C(NCCCCc1nccs1)c1cccc2ccccc12 71185507 BVZOPVQEKIFDBQ-UHFFFAOYSA-N 310.422 4.049 0 40 DIAB CCCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214397 GUEJEBAKBFDSMD-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB CSc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72216978 NHGMTQYXJDYXCE-MRXNPFEDSA-N 312.438 4.171 0 40 DIAB O=C(Nc1cc(F)c(F)c(F)c1)c1cc(-c2ccccc2)on1 78125642 DUHSOXDUGVIOBE-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C 78642609 CHHJYAJCFCXLTD-QYYVTAPASA-N 314.469 4.291 0 40 DIAB Cc1ncc([C@H](C)NCc2ccccc2OC2CCC2)s1 90028176 JMSVQTSEVCUTCF-LBPRGKRZSA-N 302.443 4.234 0 40 DIAB CCOc1cccc(CNc2cnn(CC(C)C)c2CC)c1 95445316 XLJVVPYELGNLDA-UHFFFAOYSA-N 301.434 4.112 0 40 DIAB O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC=CCC1 95947923 DYPHUOIRNXXCII-KSSFIOAISA-N 311.356 4.210 0 40 DIAB CC(C)C[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 95949716 WZWHHZCLRSANTB-KDOFPFPSSA-N 323.440 4.294 0 40 DIAB C[C@@H](N[C@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 95951412 AARQIPNIUYKDTQ-COPCDDAFSA-N 319.448 4.063 0 40 DIAB Cc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 101013853 HLHSUYGNFWKKRE-CQSZACIVSA-N 316.198 4.036 0 40 DIAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(=S)[nH]c2ccccc2c1=O 105873523 SBNKCZCJWMFYKY-UHXUPSOCSA-N 300.427 4.056 0 40 DIAB COc1cc(Nc2nc3ccc(OC)cc3s2)cc(OC)c1 199710588 OYDIJSQXXFEPOZ-UHFFFAOYSA-N 316.382 4.066 0 40 DIAB CC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C 199831415 CMJPESDFNCYMOT-UHFFFAOYSA-N 303.280 4.255 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCC2CCCCC2)c1 224426843 AZVDJAWGUNFLSZ-MRXNPFEDSA-N 303.446 4.076 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1cc(C)cc(C)c1C 224605559 PFYSJRPJBUUPGA-UHFFFAOYSA-N 314.381 4.288 0 40 DIAB C[C@@H](NC(=S)Nc1ccncc1)c1ccc(C(C)(C)C)cc1 225409199 AYQXZZJUHLRRSJ-CYBMUJFWSA-N 313.470 4.427 0 40 DIAB CC(C)COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589348 ABADJEQDLNQRBE-UHFFFAOYSA-N 310.608 4.030 0 40 DIAB Cc1cccc(CC(=O)N2CCCC[C@H]2CSC(C)(C)C)c1 390831739 UMCZZNHUQFEGAY-KRWDZBQOSA-N 319.514 4.450 0 40 DIAB CCCCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 409215166 XTXCBHLTYLXFCD-QUHNVXOFSA-N 301.411 4.469 0 40 DIAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409416203 FKCGKERAPQDDFP-YWEYNIOJSA-N 322.191 4.071 0 40 DIAB Cc1cc(C(=O)COc2ccccc2)ccc1Br 575243062 IEAXEFJUFOMVES-UHFFFAOYSA-N 305.171 4.019 0 40 DIAB Oc1ccc(Cn2c(-c3ccc(O)cc3)nc3ccccc32)cc1 210926 UCPIAPAZIWRDBJ-UHFFFAOYSA-N 316.360 4.163 0 40 DIAB in-vitro Cc1cccc(C)c1OCC(=O)Nc1cccc2ccccc12 361897 WLSQPYIVFSLLJL-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB O=S1(=O)C=C(Oc2ccc3ccccc3c2)c2ccccc21 553363 QWCWVNFIUXCSGG-UHFFFAOYSA-N 308.358 4.005 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1cccc2cccnc12 1094355 PWDTXJJCWLYPRC-UKRRQHHQSA-N 314.454 4.022 0 40 DIAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1 1851434 OUYQJFKJIPSUCO-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 3547680 AFQGKBPVRXQHKK-UHFFFAOYSA-N 317.772 4.158 0 40 DIAB CCc1cccc(OCC(=O)Nc2cccc3ccccc23)c1 3608616 DLQIFDNDDYZBCA-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 6343211 VRGYMPPLFIFSPG-NSHDSACASA-N 324.207 4.250 0 40 DIAB C[C@H]1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 6995080 GSSASKQPWKEGQR-JTQLQIEISA-N 320.845 4.103 0 40 DIAB O=C(CCc1ccccc1F)Nc1ccc(Br)cc1 8266808 ZFSOPLPYXUCABZ-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1-n1cccc1 11329629 QRGZWDVJQMLXLD-UHFFFAOYSA-N 312.319 4.316 0 40 DIAB Cc1ccccc1CCNC(=O)Cc1ccc2ccccc2c1 18104459 WKDHWRDCDBCAJH-UHFFFAOYSA-N 303.405 4.050 0 40 DIAB CCc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1 19926891 QVTUCTPSEXSQJF-QGZVFWFLSA-N 301.386 4.167 0 40 DIAB CCCCC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC 27579688 NTGGNBVYXLRSFT-MRXNPFEDSA-N 310.869 4.029 0 40 DIAB O=C(NCc1ccco1)c1ccc(-c2cccs2)cc1F 31550021 JOXCHEJZGQCJTP-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB O=C(Oc1cccc(F)c1)c1ccccc1C(=O)c1ccccc1 40042668 BCPUBKXJZKNDKN-UHFFFAOYSA-N 320.319 4.276 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(C(C)(C)C)no1 40067004 KCHMXGTUCJBAAY-GFCCVEGCSA-N 313.401 4.306 0 40 DIAB Cc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)c(C)c1 46077743 LDQWDJGZMRSYCG-UHFFFAOYSA-N 311.381 4.025 0 40 DIAB CN(Cc1csc2ccccc12)C(=O)c1ccc2[nH]cnc2c1 47181729 XOMNBQXUHLWTLM-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB CCn1ncc2ccc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)cc21 58418737 VDYHTKDZACTYFE-DOTOQJQBSA-N 311.429 4.233 0 40 DIAB CC(C)Oc1cccc([C@H](O)c2ccc(Br)cc2)c1 61666911 DFWRNXQMBOUELG-MRXNPFEDSA-N 321.214 4.318 0 40 DIAB CCc1nc(CN(C)Cc2ncc(-c3cccs3)o2)cs1 67378283 WVTIGGUMQCOANB-UHFFFAOYSA-N 319.455 4.054 0 40 DIAB CCCN1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219178 RMTRZWIRCAXBTP-GOSISDBHSA-N 301.478 4.317 0 40 DIAB Cc1cccc2nc(-c3ccc(N)cc3Br)oc12 73639317 JACABHXLPISNFG-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB C[C@H](CNCc1ccc(-c2ccccc2)cc1)Oc1ccccn1 95472036 PKJPMBLDXCYCPP-QGZVFWFLSA-N 318.420 4.306 0 40 DIAB CC[C@](CNC(=O)c1cc2ccccc2o1)(OC)c1ccccc1 96391590 GQICWJXNKDMDEJ-HXUWFJFHSA-N 323.392 4.115 0 40 DIAB O=C(CNc1cccc2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 96969203 FIEGSPUWQRHVFU-XLIONFOSSA-N 322.452 4.433 0 40 DIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1c1cc(O)nc(-c2ccncc2)n1 100287946 IYUDWOAVKPWHRJ-KBMXLJTQSA-N 311.429 4.420 0 40 DIAB CN1[C@@H](c2ccccc2)[C@H]2CCC[C@@H](C2O)[C@@H]1c1ccccc1 100745665 VOVYUVZGDORCCG-ZRNYENFQSA-N 307.437 4.192 0 40 DIAB COc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(OC)cc1Cl 104242993 QDNBFZIZGZZBLO-SDDRHHMPSA-N 323.820 4.122 0 40 DIAB c1ccc(-c2nnc(CSCc3nccs3)s2)cc1 127739517 XKJHGGYNOWFRRP-UHFFFAOYSA-N 305.453 4.095 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 224185479 GSKLUOUDUFRJPM-INIZCTEOSA-N 323.436 4.130 0 40 DIAB Cc1ccc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1C 225080670 OAXBBYQNRFMUSR-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCOc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 225429386 VLTFMAZNSZVVHG-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccccc1Cl 225469648 ZILNSCGBXYEVPW-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB CC(C)N(Cc1ccccc1F)C(=O)[C@H](C)Cc1ccccc1 512488254 GCHWZFKLWWDUMS-MRXNPFEDSA-N 313.416 4.442 0 40 DIAB Cc1nc2sc(C(=O)O)c(-n3cccc3)c2c(C)c1Cl 98176 CVIQQMSAGGQFEC-UHFFFAOYSA-N 306.774 4.055 0 40 DIAB O=C(Nc1cccc2ncccc12)c1cc(Cl)nc(Cl)c1 163234 DHQCRFPRYLCAPG-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB CCn1c(SC)nnc1-c1sc(-c2ccccc2)nc1C 1391450 VYQTTYDOHANKAN-UHFFFAOYSA-N 316.455 4.119 0 40 DIAB O=C(O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1 1405123 KZEPTKFBJWYCJD-UHFFFAOYSA-N 313.256 4.273 0 40 DIAB CSc1ncccc1C(=O)Nc1ccc(C(C)(C)C)cc1 6313570 GKGPUXPEVFXJRN-UHFFFAOYSA-N 300.427 4.353 0 40 DIAB COc1cccc(CNCC(C)C)c1OCc1ccc(F)cc1 6883651 BZDUIWGYIJLDSJ-UHFFFAOYSA-N 317.404 4.159 0 40 DIAB Cc1cccc(C)c1NC(=O)COc1cccc(C(F)(F)F)c1 7263825 XOGTUOYSSOZBCE-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1nncs1 7784213 NFJGBAJCVOCTGX-NSHDSACASA-N 321.471 4.089 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc2cccnc12 7988842 DDDQWKPUEOTVIK-MRXNPFEDSA-N 320.417 4.202 0 40 DIAB COc1ccc(N[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 8401804 LEVYKGAMZLWTEJ-CQSZACIVSA-N 320.392 4.288 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 8480304 JVHLSASJHOLMDQ-CXAGYDPISA-N 317.816 4.375 0 40 DIAB O=C(CCc1ccsc1)N[C@@H]1CCSc2ccc(F)cc21 9384876 DMMOYSFPGDLJTE-CQSZACIVSA-N 321.442 4.173 0 40 DIAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccncc1 9530700 GJURAXVNNLYOGJ-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2C)c1 9816771 OWNCVHKDHFROBE-KRWDZBQOSA-N 313.397 4.190 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C)c1 11636849 ZDQBCONMEMFBDH-SFHVURJKSA-N 313.397 4.108 0 40 DIAB CCn1/c(=N\C(=O)c2ccccc2Cl)sc2ccccc21 12180869 GSOWPDJKRGARBY-FBMGVBCBSA-N 316.813 4.117 0 40 DIAB CC(=O)Nc1cccc(Oc2cc(C)nc(-c3ccccc3)n2)c1 12409134 AKVFWULUIQLVJS-UHFFFAOYSA-N 319.364 4.203 0 40 DIAB Cc1c(C(=O)N2CCCCC2)oc2ccc(Br)cc12 12816692 KPKVEJOZJFTQMM-UHFFFAOYSA-N 322.202 4.130 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCC1=CCCCC1 13709820 QXFIDQLUXPGKIN-ZDUSSCGKSA-N 307.821 4.114 0 40 DIAB Cc1ccc(NC(=O)N(C2=NCCC2)c2ccc(F)cc2)cc1 17042305 DZLZFNHMJHGLNN-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB O=C(Nc1cccc2ccccc12)c1ccn(C2CCCC2)n1 32611574 YNYANWYNHXMAIQ-UHFFFAOYSA-N 305.381 4.404 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(C)o1 36390756 VZOMQSPETNCGNR-SNVBAGLBSA-N 322.202 4.150 0 40 DIAB CC(C)[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1 36394042 FKDDUMVRTGSNKA-MRXNPFEDSA-N 316.401 4.496 0 40 DIAB c1cncc(-c2ccnc(-c3cccnc3-c3cccnc3)c2)c1 39004502 DHZFTYARTIPUSM-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB C[C@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1 41155649 RCCMYQTUGCNIJD-LLVKDONJSA-N 324.207 4.191 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(O)c(Cl)c1 49546626 AHDMYXNZFKHEQA-JTQLQIEISA-N 319.792 4.121 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@H]2C1=Cc2ccccc2OC1 71283382 JHGBZJIBWGCITE-AWEZNQCLSA-N 309.369 4.015 0 40 DIAB c1ccc(-c2n[nH]c(SCc3cccc4ccccc34)n2)nc1 71834810 YNOIKJOFDNVRMV-UHFFFAOYSA-N 318.405 4.312 0 40 DIAB FC(F)Oc1ccc(-c2noc(-c3ccnc(Cl)c3)n2)cc1 89262850 ZPCPLWJQQLCXES-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB S=C(NC1CC1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 89827615 KLDVMNORUUGUIR-SFHVURJKSA-N 322.433 4.149 0 40 DIAB COc1ccc(CNc2ccc3nc(C4CC4)oc3c2)cc1O 96482949 UQQZUUQEHMFORU-UHFFFAOYSA-N 310.353 4.032 0 40 DIAB CCc1nnc(CNc2ccc(-c3cccc(F)c3)c(F)c2)o1 97085452 LOUGUXBHPQYLQD-UHFFFAOYSA-N 315.323 4.189 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4ccc(Br)cc4)[C@H]1CC[C@@]23C 101078261 SQKXZXNUXWFJFG-QCEMKRCNSA-N 320.230 4.214 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 113954242 AVMKDRRKMQTJGV-DNVCBOLYSA-N 323.436 4.210 0 40 DIAB c1cc(-c2nc3ncccc3o2)cc(-c2nc3ncccc3o2)c1 216730281 HJLOSGMUSMWLMI-UHFFFAOYSA-N 314.304 4.093 0 40 DIAB Cc1ccc(SCCNC(=O)c2ccc(C)cc2Cl)cc1 224994926 ONQSSTWIHXTRSI-UHFFFAOYSA-N 319.857 4.479 0 40 DIAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@H](C)C1 225712892 AYPDKVBSXQFSAW-HNAYVOBHSA-N 319.445 4.398 0 40 DIAB CCCc1ccc(C(=O)NCc2ccc(-c3ccoc3)nc2)cc1 390828886 CCAIFFIUKBSDSI-UHFFFAOYSA-N 320.392 4.224 0 40 DIAB c1ccc(C[C@H]2COC(c3cccc(-c4ccccc4)n3)=N2)cc1 1857775593 GIBSLBRVBBSKFV-SFHVURJKSA-N 314.388 4.137 0 40 DIAB Cc1ccc(C(=O)C[C@H](SC2CCCCC2)C(=O)O)cc1 44115 BCRWWNFDHMXULL-INIZCTEOSA-N 306.427 4.087 0 40 DIAB COc1ccc([C@@H]2CC(=O)c3cc(C)cc(C)c3O2)cc1OC 150934 WEFWMKYUKWLVQX-KRWDZBQOSA-N 312.365 4.027 0 40 DIAB CC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 217697 PFOBQBHXRBYWGG-UHFFFAOYSA-N 319.408 4.073 0 40 DIAB biogenic CCC(CC)C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 365473 BJNAKCDMYRWWTJ-UHFFFAOYSA-N 324.852 4.101 0 40 DIAB Clc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1 3047254 UXEOPFJOLJBXEI-UHFFFAOYSA-N 301.729 4.194 0 40 DIAB Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1 4538939 CDMCSSFXBZEIJI-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB Cc1ccc(CNC(=O)Cc2coc3cc(C)cc(C)c23)cc1 6809788 GZFKPKQDCIGKBF-UHFFFAOYSA-N 307.393 4.217 0 40 DIAB CCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc21 9360050 ZGKLHTNIODGSBF-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB O=C(c1ccsc1)N1CCC(c2c[nH]c3ccccc23)CC1 10883342 USXNWHICJCDTTO-UHFFFAOYSA-N 310.422 4.249 0 40 DIAB CCOc1ncccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 10970047 RIMOHSFKLLJZNY-UHFFFAOYSA-N 324.302 4.060 0 40 DIAB Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)co1 12952528 YNRGIEJXZJCSPM-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13109237 ILQLITDRYFHAGM-PWIZWCRZSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro COc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13669535 QETQVIAQHCNSTD-CQSZACIVSA-N 311.425 4.484 0 40 DIAB Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 14052579 RSNCKSHNJNDOSS-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB O=C1CS[C@@H](c2ccc3ccccc3n2)N1c1ccc(F)cc1 19927405 PMCWTIRQELLNJQ-SFHVURJKSA-N 324.380 4.153 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)c1cc(Cl)nc(Cl)c1 24027581 DQPIEPIXIBFLKJ-OAHLLOKOSA-N 321.207 4.270 0 40 DIAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1cccs1 27662968 GVEYOCBUIMGCQT-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1C 40525390 KGDYCFSKMRCQQD-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB CN(C)C(=S)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 40542479 BTCPPNPIANRFCJ-UHFFFAOYSA-N 300.210 4.491 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccccc1 44850486 UZFWQDLCIKSUBW-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB Cc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1Cl 51315690 YUITXNLHKVSHHS-UHFFFAOYSA-N 317.801 4.352 0 40 DIAB Cc1ccc(CC(=O)N(Cc2sccc2C)C(C)C)s1 57052258 MPOHNYSAVALDOM-UHFFFAOYSA-N 307.484 4.406 0 40 DIAB Fc1ccc(C(F)(F)F)cc1CNCc1ccc(Cl)nc1 71904742 ZRQZRCZWQHEAKO-UHFFFAOYSA-N 318.701 4.183 0 40 DIAB COCCn1c(S[C@H]2CCCc3ccccc32)nc(C)c1C 71961797 WFZUQUWPIPNHSD-KRWDZBQOSA-N 316.470 4.316 0 40 DIAB CC(C)(C)[C@@H](Cc1ccccc1)NC(=O)c1ccncc1Cl 73096299 GKLFTYZNFHOOAR-MRXNPFEDSA-N 316.832 4.122 0 40 DIAB Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(Br)c1 73639296 DZJJMYAYJSCTIZ-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB Fc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc(-c2ccncc2)no1 77968050 ASIGMZFBOITCOK-GHMZBOCLSA-N 315.735 4.195 0 40 DIAB O=C(c1ccsc1)N(Cc1ccoc1)Cc1cccs1 90612068 ZCFIKQGTGKWBTB-UHFFFAOYSA-N 303.408 4.245 0 40 DIAB O[C@@H](c1ccc(Br)cc1)c1ccc(Cl)c(F)c1 95730305 AEKGORLUMGXQML-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Cc1cc(C)nc(NN(Cc2ccccc2)c2ccccc2)n1 98086601 ZLQOVLDXTJVWOV-UHFFFAOYSA-N 304.397 4.127 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1cccs1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872201 GCAODHPIRMXSSB-WOTQDWCVSA-N 321.492 4.150 0 40 DIAB CCc1ccc(N2C(=O)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)cc1 101269806 RBGJSILOGLIJGS-YHBQJITHSA-N 322.408 4.265 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)ccc1Cl 113969272 HNNQNHCHOPMTSH-ZDUSSCGKSA-N 311.853 4.213 0 40 DIAB Cc1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 138835605 NTAYTYNLDPTVOM-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB C[C@@H](CCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 178570094 QZRXRMVBISZCCZ-ZFWWWQNUSA-N 313.363 4.371 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(Cl)c2)C(=O)O)c1 225059551 UVXMSZHMRFEQQC-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2)cc1 225773489 COAXNHXNRINRTO-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCc1nc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2n1C 225896282 AMBSZLOUQXPJNQ-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB CC[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1 226776738 REKVQZUPMAKFFS-UHFFFAOYSA-N 320.235 4.033 0 40 DIAB O=C1S/C(=C/c2ccsc2)C(=O)N1CC1CCCCC1 409140027 CKSFCZMJJYENQI-MDWZMJQESA-N 307.440 4.365 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(F)c2)c1 44454 USNWYIKNQCOHJH-UHFFFAOYSA-N 301.361 4.275 0 40 DIAB CCOC(=O)[C@@H]1C(=C(C)C)[C@]1(C)C(=O)c1ccc(Cl)cc1 108562 ONNCEAVOIAMVSY-YOEHRIQHSA-N 306.789 4.058 0 40 DIAB Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 346696 JCZQBTALZAPUOH-UHFFFAOYSA-N 316.356 4.445 0 40 DIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1cccc(O)c1)N2 818069 XCURTSUOOGDXPJ-IBGZPJMESA-N 305.381 4.153 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1ccc(Br)o1 1284913 VBOIZJIQJXZOKC-UHFFFAOYSA-N 322.202 4.419 0 40 DIAB Oc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1 2633443 FUGZCSZGQXMFPD-UHFFFAOYSA-N 320.396 4.069 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(F)c1 4895829 CWPOIGZQMQNFMN-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB COc1ccc(C(C)=O)cc1COc1cccc2ccc(C)nc12 5198740 YQXJEYMVQKITDW-UHFFFAOYSA-N 321.376 4.333 0 40 DIAB c1cncc([C@@H]2CCCCN2CCOc2ccc3c(c2)CCC3)c1 6624606 ZTWYFGQMBYHVSK-NRFANRHFSA-N 322.452 4.176 0 40 DIAB biogenic C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 6850552 QAUXTLSTIJIAJC-UUIJZJDISA-N 309.862 4.125 0 40 DIAB Cc1ccnc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1 8720326 FVSVBQLOEWFQTA-UHFFFAOYSA-N 312.316 4.254 0 40 DIAB CC(C)c1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3)c2n1 12398007 VKJTWOWPZWSETQ-UHFFFAOYSA-N 321.380 4.120 0 40 DIAB CCc1ccccc1NCc1cc2c(C)ccc(C)c2[nH]c1=O 12493067 CSAOBFQQKUWSGR-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB O=C(Nc1ccc(F)cc1F)N[C@H]1CCSc2ccccc21 12776925 OJICQIWNDKJESP-ZDUSSCGKSA-N 320.364 4.323 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 14022352 XVMIFZMOKUJXRX-GOSISDBHSA-N 313.397 4.190 0 40 DIAB Cc1cc(C(=O)Nc2cccc3cccnc23)c2ccccc2n1 14517943 GYLBIHQAHHMGPY-UHFFFAOYSA-N 313.360 4.344 0 40 DIAB COc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1 17335098 OOTFDLISADARAZ-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB COc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2ccncc2C)cc1 19239538 UROATCKCVJSPEU-PLACYPQZSA-N 322.452 4.071 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1OC 20036233 JLEDIOQHQGRKHZ-AWEZNQCLSA-N 319.788 4.145 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20037960 OBHLQLRENPLITF-KGLIPLIRSA-N 317.816 4.293 0 40 DIAB O=c1cc(Sc2ccc(Cl)cc2)nc2ccc(Cl)cn12 24985353 COUIHXROEKXOAH-UHFFFAOYSA-N 323.204 4.153 0 40 DIAB CCCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)[nH]n1 29871123 QIPDQWPLUUYAEA-UHFFFAOYSA-N 321.380 4.407 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)N3CCCC3)ccc21 40070051 NWSLJZSKDIHUSR-UHFFFAOYSA-N 307.397 4.442 0 40 DIAB CCc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc1 40097933 AJEYTQQDFHTFKO-LBPRGKRZSA-N 316.376 4.279 0 40 DIAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 44883922 MIOPWXFHDHZSQC-YQJFHSMKSA-N 315.800 4.239 0 40 DIAB Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)ccc1N(C)C 78413794 DXICHOXALUMTHG-GUYCJALGSA-N 303.450 4.103 0 40 DIAB Clc1cc(-c2ccccc2Br)nc(Cl)n1 84123117 AYIDRKWYYZTMJU-UHFFFAOYSA-N 303.974 4.213 0 40 DIAB O=C(OC[C@@H]1CCCCO1)c1cccc(Oc2ccccc2)c1 84557036 QIIUEYWDALQBQX-SFHVURJKSA-N 312.365 4.205 0 40 DIAB CC(C)c1nnc(CSc2nc3ccc(Cl)cc3o2)n1C 95393551 NAHSHNFPPFYAII-UHFFFAOYSA-N 322.821 4.025 0 40 DIAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 95633959 LKJMIKFHZQUYRJ-ZWKOTPCHSA-N 306.361 4.203 0 40 DIAB C[C@H](N[C@@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F 95986419 JHEZRMXBVUXTNG-ZBEGNZNMSA-N 307.388 4.136 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4cccc(C(F)(F)F)c4)[C@@H]1CC[C@]23C 104152768 QUGPFRCQTQGUTC-SLBVQIDZSA-N 309.331 4.470 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 113959586 CNSBWVBHYATLFJ-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1 216250438 NHVPIWDHRRLNED-QGZVFWFLSA-N 317.816 4.156 0 40 DIAB COC(=O)c1cn(C(=O)c2cc(C)c(C)cc2C)c2ccccc12 222653576 ZCAGUGSLUOCPMW-UHFFFAOYSA-N 321.376 4.042 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCCC1 225657757 SDYZBEVUCMBXQV-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB CCc1nc2cc(C(=O)Nc3c(C)cccc3C)ccc2n1C 225896261 SRGFMQQJEOQASL-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB CCOc1ccc(NC(=S)Nc2ccc3conc3c2)cc1 409196839 YDQKVZDONNYLAF-UHFFFAOYSA-N 313.382 4.035 0 40 DIAB Cc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)O)sc2C)s1 568990899 NSGRQQJDAXAWDO-SECBINFHSA-N 324.471 4.021 0 40 DIAB CCOC(=O)c1cccc(CN(C(=O)OC(C)(C)C)C(C)C)c1 685936926 COZGHRMZRSTPMJ-UHFFFAOYSA-N 321.417 4.009 0 40 DIAB Cc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)cc1 115409 WYQWKVROZXZBPI-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Nc1ccc(Br)cc1-c1nc2ccccc2s1 232044 FJRPIQYCIRTCEU-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB CC(C)(C)NC(=O)CSCc1c(Cl)cccc1Cl 382494 XJYBWFUYKUPCIX-UHFFFAOYSA-N 306.258 4.141 0 40 DIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3ccccc3c2)c1 442159 ZSDJLKZEGCZDGX-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB COc1ccc(-c2nc3c(C)cccn3c2Br)cc1 1383736 DINRIJMCGUJUSN-UHFFFAOYSA-N 317.186 4.081 0 40 DIAB Cc1cccc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 5317170 CTHTVBFMRMVTOF-UHFFFAOYSA-N 319.191 4.060 0 40 DIAB CCCN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 6204440 AGIDTODJMXAOMS-FQEVSTJZSA-N 318.420 4.442 0 40 DIAB CC(=O)Nc1ccc(C(=O)CSc2ccccc2Cl)cc1 6351811 PKOJDFAGQVGYTK-UHFFFAOYSA-N 319.813 4.273 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)cc(F)c1 6886927 KSZCZTOUSJFSRB-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1cccc(Cl)c1 7420725 IAANOABPNAFBPR-CQSZACIVSA-N 316.832 4.107 0 40 DIAB O=C(COc1ccc2ccccc2c1)N1CC[C@@H]2CCCC[C@H]2C1 8162007 SVBVXWSXHIQBCG-HKUYNNGSSA-N 323.436 4.257 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 8479795 JEHMLBDWHLJPRK-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)C1CC1 11210606 JUEKOXJVZWUHKU-KRWDZBQOSA-N 315.800 4.230 0 40 DIAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C 13675154 DJCDJPMZFLNIQR-OUKQBFOZSA-N 323.392 4.132 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccccc2F)C1 13683839 FYKVEPBIDVMZHD-SJCJKPOMSA-N 306.450 4.423 0 40 DIAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)c2c(C)noc2n1 14180440 DNGQGWBDEKQWFA-UHFFFAOYSA-N 315.760 4.054 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1Cl 15583657 YMANDCJIGKJJCJ-GFCCVEGCSA-N 305.830 4.137 0 40 DIAB CCC(CC)c1nn2cc(-c3cccc(OC)c3)nc2s1 28540062 UOKQETMXEBSRFO-UHFFFAOYSA-N 301.415 4.370 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c(C)c1 32915512 AVDVNSZWMHBWTC-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2cc(C)ccc2c1 36636353 JZEANQOABOZANI-KRWDZBQOSA-N 317.454 4.101 0 40 DIAB O=C(CCc1ccccc1)Nc1cccnc1Oc1ccccc1 40087982 MWSBACWUTGKEGO-UHFFFAOYSA-N 318.376 4.445 0 40 DIAB CN(C(=O)CSCc1cccc(Cl)c1)C1CCCCC1 44880435 AXASFMNQSSNTBO-UHFFFAOYSA-N 311.878 4.364 0 40 DIAB CSCc1nnc(SCc2cccc(C(F)(F)F)c2)o1 48396397 ZFHACADQJYJYMP-UHFFFAOYSA-N 320.361 4.244 0 40 DIAB CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 58167136 BCEORZPODZAYSV-UHFFFAOYSA-N 324.302 4.075 0 40 DIAB CC(C)Cc1nnc([C@H](C)N(C)Cc2ccc(Cl)cc2)o1 69653448 VLWHBEHXGKDWME-LBPRGKRZSA-N 307.825 4.115 0 40 DIAB C[C@@H]1CCCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)C1 72396551 BIXAHXIGAMFJNZ-CQSZACIVSA-N 320.396 4.035 0 40 DIAB CC[C@H]1CCc2ccccc2N1Cc1nnc(-c2ccco2)o1 75093984 VEMFJKBJYZNSKJ-AWEZNQCLSA-N 309.369 4.061 0 40 DIAB C[C@H](NC(=O)N1C[C@@H]2CC[C@@H]1C2)c1ccc(-c2cccnc2)cc1 102698106 ZZZIYDDYQLELCB-QMTMVMCOSA-N 321.424 4.004 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@H]1C[C@H]3CC[C@H]1C3)OCO2 103521222 WJRFPNFAKYJALO-KCQAQPDRSA-N 315.413 4.133 0 40 DIAB COc1ccccc1/C=C/C(=O)NCc1ccc2ccccc2c1 222747755 FZNCKRGDZOMBPP-OUKQBFOZSA-N 317.388 4.178 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1C 223832010 QFXOMUFIKFAIRT-UHFFFAOYSA-N 311.425 4.236 0 40 DIAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COC(C)C 224423184 SSSPOHZYFAGAQV-UHFFFAOYSA-N 313.397 4.181 0 40 DIAB Cc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c(C)c1 225025231 HPSCPBFFJSJCJK-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)cc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225037402 MDKHUJZYXMFPPB-IBGZPJMESA-N 312.409 4.303 0 40 DIAB CCCCCc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794736 INBWKEOFQFTNHY-UHFFFAOYSA-N 321.218 4.384 0 40 DIAB Cc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 67770 GVMPNLIHWCRDQD-UHFFFAOYSA-N 301.415 4.147 0 40 DIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1 516104 NNDQFAWMWMCEBP-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OCC)cc12 521935 MDZSDDRQBWMHQA-UHFFFAOYSA-N 303.402 4.181 0 40 DIAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(F)cc1 544745 SODOTVLOGAZANX-UHFFFAOYSA-N 316.335 4.192 0 40 DIAB O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)o1 800880 PHLOKODHQZODHO-UHFFFAOYSA-N 301.729 4.123 0 40 DIAB O=C(c1cc(F)cc(F)c1)c1ccccc1CN1CCCCC1 2515533 BLTFKBJMEPPAMA-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB O[C@@](c1ccccc1)(c1cccs1)C(F)(F)C(F)(F)F 2528686 UQWYUXGZTMWWFG-NSHDSACASA-N 308.271 4.182 0 40 DIAB Cc1[nH]c2ccccc2c1SCC(=O)Nc1ccc(F)cc1 2718325 BXHQMZSNWSWJGJ-UHFFFAOYSA-N 314.385 4.346 0 40 DIAB Cc1cc(C)c(C(=O)NCCc2ccc(Cl)cc2)c(C)c1 3533699 LBMUODVFOQRRDN-UHFFFAOYSA-N 301.817 4.238 0 40 DIAB CCCCC1(CCCC)NC(=S)N(c2ccc(C)cc2)N1 3667436 DUFNMVLACGIPFL-UHFFFAOYSA-N 305.491 4.271 0 40 DIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)cc1 4135284 ZPIQDCAPDBMRHE-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB O=C(O)[C@@H]1C(c2ccccc2)=C1c1ccc(Br)cc1 5124527 MVQZSULREFKYFP-OAHLLOKOSA-N 315.166 4.074 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1nc(Cl)cc(Cl)n1 5895621 UNOMYMYFPOMSCH-UHFFFAOYSA-N 317.563 4.081 0 40 DIAB Cc1cccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 6207080 GWHQSVDMOBVGBV-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB O=C(CSCc1ccccc1F)Nc1ccc2c(c1)CCC2 7058219 CAVXDANDWOEXTC-UHFFFAOYSA-N 315.413 4.186 0 40 DIAB CCCNc1nnc(SCc2ccc3ccccc3n2)s1 7190046 JNOJKLAKFWKCLY-UHFFFAOYSA-N 316.455 4.201 0 40 DIAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OC 7653313 SACABXJLHWNWNJ-UHFFFAOYSA-N 313.397 4.217 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 9544705 YFZHGRXEIWSUMQ-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)c1C 10892796 DUKCDBRPGUHSHJ-GWCFXTLKSA-N 317.458 4.233 0 40 DIAB CCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 12806812 RHZXLWOMIHQQGF-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1csc(-c2cccs2)n1 15525398 JGOYDSJQJMQQMM-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB O=C(NCCc1ccco1)c1cc2c(s1)-c1ccccc1CC2 17703290 RRMCWJHEJFRJDK-UHFFFAOYSA-N 323.417 4.079 0 40 DIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(OC(F)F)cc1 20786922 IEUITSFXAQOATF-NTUHNPAUSA-N 321.710 4.434 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 21895251 SGQFCLJRANBWCD-OKILXGFUSA-N 310.441 4.165 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)C12CC3CC(CC(C3)C1)C2 22282662 FQXOYDOVWADKKS-UHFFFAOYSA-N 323.480 4.441 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 22907850 CUYKGFDCPLVFEB-AWEZNQCLSA-N 301.361 4.157 0 40 DIAB Cc1ccc(CNC(=O)N(C)[C@H](C)c2cccs2)cc1F 23174556 FDUXGKKIDSDVKF-GFCCVEGCSA-N 306.406 4.098 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 24958009 HZNSKHRQRNWZBB-SJORKVTESA-N 311.425 4.257 0 40 DIAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1OC(F)F 33383187 HHIXIFGZMBHCEW-GHXNOFRVSA-N 321.710 4.434 0 40 DIAB Cc1ccc(-c2nn3c(NCC(C)C)cc(C)nc3c2C)cc1 40216961 KMRWOTGJZSQBKD-UHFFFAOYSA-N 308.429 4.389 0 40 DIAB CCN(C(=O)Nc1ccc(F)cc1F)[C@@H](C)c1cccc(O)c1 49999250 YHSYCDYUEPLENW-NSHDSACASA-N 320.339 4.285 0 40 DIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)nc1 71844285 PESRCGYUOCIALE-RBUKOAKNSA-N 308.425 4.188 0 40 DIAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 100297147 PUADRQDIQCVJJS-AIKRSMPDSA-N 301.474 4.144 0 40 DIAB O=C(O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 137361321 SLQLSSNFQIMLSW-UHFFFAOYSA-N 308.120 4.500 0 40 DIAB CC[C@@H]1N=C(C2CC2)c2cccn2-c2cc(OC)c(OC)cc21 225377716 MUCWGIGUCHNBCE-AWEZNQCLSA-N 310.397 4.158 0 40 DIAB O=C1NC(c2ccc(Cl)cc2)=C[C@@H](c2ccc(Cl)cc2)N1 39207 PMMIRNBEUVGZSF-AWEZNQCLSA-N 319.191 4.388 0 40 DIAB O=C(Nc1cccc(Br)c1)c1cccc(Cl)c1 580898 XDSJCJNRBVMDJY-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C)c1 3482576 QVKNYOXALVLPBR-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 3598164 ZEEVWIZRSYBYSC-QGZVFWFLSA-N 315.413 4.112 0 40 DIAB C[C@@]12CCC[C@@H]1[C@@H]1CC[C@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CC2 3846871 PVBHAUBUOVCYIN-SCMJLYPYSA-N 322.445 4.185 0 40 DIAB Cc1cccnc1NC(=S)Nc1cccc(C(F)(F)F)c1 5579829 HXMCSGPMNPJADX-UHFFFAOYSA-N 311.332 4.218 0 40 DIAB Cc1cc2c(=O)n(-c3ccc(Cl)cc3)c(=S)[nH]c2s1 5612180 CKCVHMCTSLPJLA-UHFFFAOYSA-N 308.815 4.072 0 40 DIAB Cc1cc(OCC(=O)NCCC2=CCCCC2)ccc1Cl 6477523 LCNKYCONZKBRRY-UHFFFAOYSA-N 307.821 4.034 0 40 DIAB CSc1ccccc1C(=O)Nc1ccccc1OC(F)F 6558118 QUYBOKZDUGFSNT-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB COc1ccc(-c2cnc3cc(-c4ccccc4)nn3c2)cc1 6745640 QXLNPACGOOKFHS-UHFFFAOYSA-N 301.349 4.072 0 40 DIAB CCOc1ccc(CNCc2ccccc2Cl)cc1OC 8324713 BMBIPOLNYZQJON-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12577610 BSFGFFVQDYPSNE-SFHVURJKSA-N 319.408 4.157 0 40 DIAB Cc1ccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)cc1 15841917 CZFQOWCPPSMKNU-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2o1 18173795 GKODTKKXXWCVFA-UHFFFAOYSA-N 301.733 4.434 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 20025519 AZAISFPMYJKOLC-GFCCVEGCSA-N 303.789 4.148 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCc2ccccc2C1 20488094 BHPAMPSYZLPGIB-INIZCTEOSA-N 323.436 4.162 0 40 DIAB C/C=C/c1ccc(OCC(=O)N[C@H](C)CCC(C)C)c(OC)c1 24989248 MYELAABTXWVYOJ-LQYUOIDQSA-N 319.445 4.048 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)n1 26290286 DZCYBLSTSORLHA-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c(C)c1 27917702 UFPNDHUWVNCLPJ-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB Cc1cc(NC(=O)c2ccn(C3CCCC3)n2)c2ccccc2n1 28577051 FMERMBZWFBNMJL-UHFFFAOYSA-N 320.396 4.107 0 40 DIAB Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)s1 30314857 NOCPNDVATSVJPA-JTQLQIEISA-N 308.834 4.247 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2cccc3cccnc23)C1(C)C 32076163 WGKRKUILWWALSA-QZTJIDSGSA-N 322.452 4.132 0 40 DIAB COc1ccc(/C=C2/C(=O)Nc3ccccc32)c2ccccc12 33903334 YJKYMKIQGFQNII-SFQUDFHCSA-N 301.345 4.341 0 40 DIAB CCS[C@@H]1NC(SC)=Nc2nc(-c3ccc(C)cc3)oc21 41154988 OHBGCPMFKUPYMR-AWEZNQCLSA-N 319.455 4.355 0 40 DIAB Cc1ccc(OCCNC(=S)Nc2cccc(Cl)c2)cc1 57783537 AEXFIGUYDPFUHZ-UHFFFAOYSA-N 320.845 4.014 0 40 DIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 65474590 PUPQXHSAPMVSTR-XWZPVZHOSA-N 314.410 4.389 0 40 DIAB Cc1cccc(Cl)c1NC(=S)Nc1ccc2c(c1)OCO2 71761490 RECVLRRPHGUIED-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB CC(C)n1cc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cn1 72309723 SBEZUCYKFUEIQV-NSHDSACASA-N 306.797 4.000 0 40 DIAB C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 72346750 FVSYTONOTZBKMN-KBXCAEBGSA-N 319.408 4.030 0 40 DIAB COc1ccc(C)cc1C[C@@H](Sc1ccc(C)cc1)C(=O)O 225118842 MCAKEXRERWSYBH-QGZVFWFLSA-N 316.422 4.100 0 40 DIAB COc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1N 225176767 FOUNJAPVPHRAPT-UHFFFAOYSA-N 323.396 4.292 0 40 DIAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(CC)OC)cc1C 225604403 VFTWZVZEXSITJB-KBXCAEBGSA-N 307.434 4.234 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1 225617580 MKURCFLBFPOWRM-GOSISDBHSA-N 307.434 4.255 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1 225729137 OTCVXPVHRSKYJH-SFHVURJKSA-N 307.434 4.399 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1c(F)cccc1F 225753640 KYBGTOSYICQVOL-LLVKDONJSA-N 306.381 4.321 0 40 DIAB CC(C)CN1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257276965 NVXDFXCKJJEGTD-INIZCTEOSA-N 316.420 4.240 0 40 DIAB COc1ccc([C@@H]2CC(=O)c3cc(Cl)ccc3O2)cc1OC 57866 VWGNKHPAHTYIRK-INIZCTEOSA-N 318.756 4.064 0 40 DIAB biogenic,in-vitro CCOC(=O)c1c(SC)nc2c(Cl)cccc2c1Cl 161518 NTZFNBKKGWZLQB-UHFFFAOYSA-N 316.209 4.440 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2Cl)c1 505885 VQIKHQMOQMYMLS-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O=C(c1cccn1-c1ccc(F)cc1)C(Cl)(Cl)Cl 2383474 AGVJTFFINQJEKN-UHFFFAOYSA-N 306.551 4.169 0 40 DIAB Cc1nn(C)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 2740455 KVOOCACKOSAKAB-UHFFFAOYSA-N 309.266 4.102 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(Cl)c1 5425462 JJYFVIMWGIXBOR-AWEZNQCLSA-N 303.814 4.307 0 40 DIAB C[C@@H](CNC(=O)COc1cccc2ccccc12)c1ccccc1 6010652 NTJUOYKRMOPSKC-INIZCTEOSA-N 319.404 4.139 0 40 DIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 6440994 YLMMFALEGOKQCQ-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 6763967 AQRDCUPITNPXGL-MFKMUULPSA-N 300.324 4.406 0 40 DIAB Cc1ccccc1NC(=O)c1csc(-c2cccs2)n1 7918109 VLVKMGWWTGTCEY-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)NC2CCCCCCC2)c1 8478975 VIBAMCQHILHFBO-MRXNPFEDSA-N 303.446 4.300 0 40 DIAB C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4CO 8618857 HHAMKMUMKLXDFQ-RFYJQISGSA-N 320.473 4.092 0 40 DIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O 8869571 MXSJAPIEXXAEKO-UHFFFAOYSA-N 315.678 4.317 0 40 DIAB O=C(Cc1ccc(Cl)s1)Nc1nc2ccccc2s1 10060873 RPMXFMRHDPBYES-UHFFFAOYSA-N 308.815 4.192 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccco2)no1 12999354 YBTLAJYCLSGIQJ-LBPRGKRZSA-N 323.352 4.269 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)NCCC1=CCCCC1 14683927 XAWIEXPNJWEDHS-UHFFFAOYSA-N 310.441 4.497 0 40 DIAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2C[C@@H]2C)cc1 14794218 HGXXCHXUGLRMNY-XJKSGUPXSA-N 311.381 4.472 0 40 DIAB CC1(C)C=Cc2c(O)ccc([C@@H]3COc4cc(O)ccc4C3)c2O1 15203796 FWNBCUTXAPZFIT-ZDUSSCGKSA-N 324.376 4.001 0 40 DIAB biogenic COc1cc(C(=O)Nc2ccccc2)nc2ccc(Cl)cc12 15829250 CSEGLMWSGCOHEB-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CC(C)NC(=O)c1ccccc1OCc1ccc(Cl)cc1 17300575 LAFLBFLOTOTIEE-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB COCCOc1cccc(NCc2cccc(OC(C)C)c2)c1 19737583 XRGLKDCNTLSLJU-UHFFFAOYSA-N 315.413 4.111 0 40 DIAB CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OC 20310607 RNPFOZWWOLOYPA-UHFFFAOYSA-N 309.768 4.499 0 40 DIAB Cn1c(N)c(-c2cccc(Br)c2)c2ccccc21 34069264 GYBCDWMZIBFETC-UHFFFAOYSA-N 301.187 4.190 0 40 DIAB CC(=O)Nc1ccc(SCCOc2c(C)cccc2C)cc1 36807233 UTZKGIZOVYQCLQ-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB Cc1ccc(NC(=O)NCCSc2ccccc2)c(C)c1 40095395 LVNUYTWRFVPAJC-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB CCN(CC)C(=O)Cc1ccc(-c2nc3ccccc3s2)cc1 41127094 UMPZNUMDENCNPX-UHFFFAOYSA-N 324.449 4.374 0 40 DIAB CC[C@@H](C)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42774557 QCMRKGDUFPJXTK-DGCLKSJQSA-N 312.251 4.093 0 40 DIAB CCc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1 44194738 NJCQREMNKDGRLQ-UHFFFAOYSA-N 304.390 4.206 0 40 DIAB COc1ccc(C(C)=O)cc1CN1CCC[C@H]1c1ccsc1 46089307 MBDKRKFHGQDKCA-KRWDZBQOSA-N 315.438 4.296 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 72331639 MCRHCOVNSWRPJD-HNNXBMFYSA-N 305.299 4.123 0 40 DIAB CCO[C@@H](C)c1noc(CS[C@@H](C)c2ccccc2F)n1 78164168 XTSAOYGCDFBZOT-QWRGUYRKSA-N 310.394 4.301 0 40 DIAB Cc1nc2ccc(NC(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)cc2o1 84290326 VKCXLRZTNNIHHQ-IAQYHMDHSA-N 324.380 4.424 0 40 DIAB FC(F)Oc1ccccc1-c1noc(-c2cccnc2Cl)n1 89262768 LBDHWUKIOKJQKM-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB COc1ccccc1-c1c[nH]c2ncc(Br)cc12 95836499 UWBXQMQUOGPEKU-UHFFFAOYSA-N 303.159 4.001 0 40 DIAB Cc1cc(F)cc(C(=O)c2ccc(Br)cc2C)c1 95916976 FHBXRMSEUOJKRW-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB CCOc1cc(F)ccc1NC(=O)Nc1cc(C)ccc1C 97164650 VXHYAIIYPRQVPB-UHFFFAOYSA-N 302.349 4.485 0 40 DIAB Cc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1C 101353407 RKZHHVKKESLCSK-OAHLLOKOSA-N 308.410 4.012 0 40 DIAB CC[Si](CC)(CC)c1ccc(C(=O)O)c(Cl)c1Cl 219790620 DCHHBCIUYOMKIZ-UHFFFAOYSA-N 305.277 4.407 0 40 DIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccs3)N21 222651926 PRPDJPOXPWNFQZ-NILFDRSVSA-N 315.467 4.123 0 40 DIAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccccc1F)C(=O)O 225050791 PTSMTUPAOFEDOL-KRWDZBQOSA-N 316.372 4.198 0 40 DIAB Cc1nc(Nc2cccc(OC(F)F)c2)cc(C(F)F)n1 1888882212 MELLXLWYAFYWFX-UHFFFAOYSA-N 301.243 4.068 0 40 DIAB c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1 5903 AELMNLIYFALJIR-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB in-vivo O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCCN2CCCC[C@@H]12 140619 GRDMMPXVOYPCJQ-BBRMVZONSA-N 322.836 4.153 0 40 DIAB biogenic Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 579717 IKNVCYTUBINTMM-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB C[C@@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N1C1CCCCC1 1690380 NRUYMSXTSXGBII-XGASYVDGSA-N 321.464 4.328 0 40 DIAB CCc1ccc(OCCCn2c([C@@H](C)O)nc3ccccc32)cc1 1926787 QQQIUMSIKXPPEK-OAHLLOKOSA-N 324.424 4.121 0 40 DIAB Cc1ccc(C)c(OC[C@@H](O)CNC2CCCCCCC2)c1C 2639147 IPDRRIRBRBECHD-IBGZPJMESA-N 319.489 4.054 0 40 DIAB CCCN1C(c2ccccc2)=C[C@@H](c2ccccc2)n2ncnc21 3147646 MVMGNDBUBUCYQI-IBGZPJMESA-N 316.408 4.139 0 40 DIAB COc1ccc(-c2cc([C@@](C)(O)CCC=C(C)C)on2)cc1 4344248 DKPKGZXCLOELRC-SFHVURJKSA-N 301.386 4.304 0 40 DIAB CC(=O)Nc1ccc(Oc2nc3c(C)cccc3cc2C=O)cc1 6509792 WAOMQCAKKWRAFR-UHFFFAOYSA-N 320.348 4.106 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)ccc1Cl 6526210 KRWXDOQKUCEZFU-UHFFFAOYSA-N 313.209 4.191 0 40 DIAB Cc1nc(SCc2cc(C)on2)c2c(C)c(C)sc2n1 7835288 IRSQRYIOMMXIGG-UHFFFAOYSA-N 305.428 4.205 0 40 DIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1C 7915149 UNJVODIMHNMHMT-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB O=C(CNc1cccc2ccccc12)Nc1ccc(F)cc1F 7955224 GPKDOQODCPEPGC-UHFFFAOYSA-N 312.319 4.169 0 40 DIAB CCCc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 7981371 PSCGZKFXJTXOKI-UHFFFAOYSA-N 316.213 4.050 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(C)c1)c1ccc(OC)cc1 8085557 MKHXFPDTFFCKIS-QGZVFWFLSA-N 314.454 4.441 0 40 DIAB Fc1ccc(COc2ccc(-c3nnco3)cc2)c(Cl)c1 8185191 SMSCNFBJTSOONO-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C)ccc1C 8498628 IFQCXHXBDMFWIE-INIZCTEOSA-N 313.397 4.108 0 40 DIAB CCc1ccccc1NC(=O)c1ncc(-c2ccc(OC)cc2)o1 9321610 VXFVDUXJCZWODF-UHFFFAOYSA-N 322.364 4.165 0 40 DIAB CCC(=O)N1CCc2cc(-c3cc4c(C)cccn4c3)ccc21 12241447 UGJLGHDLHAMSDS-UHFFFAOYSA-N 304.393 4.214 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 12939648 WNPLEZVMEFFDEC-UONOGXRCSA-N 317.816 4.027 0 40 DIAB Fc1cccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 19293835 LMFJXEGIOGUMAO-MRXNPFEDSA-N 309.388 4.082 0 40 DIAB Cc1ccc([C@@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc1 28466924 SEMHWXKEVPSYOZ-NRFANRHFSA-N 320.436 4.206 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)cc1 37124730 MEPLPOSWQPGIRQ-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1ccsc1 40106900 QJEOJYVRWHNICW-LBPRGKRZSA-N 307.846 4.082 0 40 DIAB Cn1c(CSc2nccn2C2CC2)nc2cc(Cl)ccc21 43242557 NNBRLJXYZRQUMD-UHFFFAOYSA-N 318.833 4.050 0 40 DIAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(O)c1 54701595 BQDXTCLDCWRDQC-MRXNPFEDSA-N 316.788 4.022 0 40 DIAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@H](c1ccccc1)C1CCC1 69848921 PFGVITSCNSIOBD-HNAYVOBHSA-N 323.440 4.325 0 40 DIAB FC(F)(F)c1nnc2sc(-c3ccc4ccccc4c3)nn12 73634352 FTFVJEDKHLYLDD-UHFFFAOYSA-N 320.299 4.025 0 40 DIAB C[C@H](OC(=O)c1ccccc1N)c1ccc2c3c(cccc13)CC2 216850492 FTZBYCLDMVMEDZ-ZDUSSCGKSA-N 317.388 4.439 0 40 DIAB O=C(O)c1ccnc([C@@H]2CCCCC23SCCCS3)c1 217629958 NZEWYNHRVMTFTC-LBPRGKRZSA-N 309.456 4.004 0 40 DIAB Cc1ccc(C(=O)NCCCc2ccccc2Cl)c(C)c1 222954388 TUNDDJKHVOXHHJ-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB Fc1ccc(NC(=S)NC2(c3ccco3)CCCC2)c(F)c1 225857475 HCCLFWVORHLBCW-UHFFFAOYSA-N 322.380 4.314 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1 390831944 WDEUMKICKFGTAZ-INIZCTEOSA-N 316.470 4.085 0 40 DIAB COc1ccc(/C=C2/Sc3ccccc3NC2=O)cc1Cl 409095111 BMTNQXDJKVJHKC-OQLLNIDSSA-N 317.797 4.434 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@H]2CCCOC2)cc1 553770361 OXGVKAREAZRYSV-UXPWSPDFSA-N 317.473 4.126 0 40 DIAB CC[C@H](C)C[C@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 382313 BNXYDEABTXEYNL-YVEFUNNKSA-N 305.491 4.045 0 40 DIAB CCOc1ccc(-c2cn3cc(Br)ccc3n2)cc1 1291513 ZNKNQXCLSQDRJV-UHFFFAOYSA-N 317.186 4.163 0 40 DIAB COc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1 1389592 MIQHZDDIKACMHJ-UHFFFAOYSA-N 314.772 4.093 0 40 DIAB CCOc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 1471478 QTQVMMIEAZPKJF-UHFFFAOYSA-N 323.436 4.180 0 40 DIAB Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1C 3214147 OYOTXEZICXIYPV-UHFFFAOYSA-N 315.241 4.251 0 40 DIAB CCSc1nnc(-c2cccs2)n1Cc1ccccc1 3314889 RPDYKDXCXWOBLK-UHFFFAOYSA-N 301.440 4.167 0 40 DIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2F)c1C 3323383 ZZMDSWWPARBWFL-UHFFFAOYSA-N 321.779 4.422 0 40 DIAB CC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1 3515508 WNAPOEICKCZABP-MRXNPFEDSA-N 311.425 4.141 0 40 DIAB Fc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12 4035688 MAIVGXFDCUKMFV-UHFFFAOYSA-N 312.329 4.229 0 40 DIAB aggregator O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1c1cccc(O)c1 5214119 KOVGUNOYVXGULV-MAHQCVNESA-N 323.373 4.189 0 40 DIAB CCCC[C@@H](CC)COC(=O)c1cc2ccccc2oc1=O 5784294 JZTYWEIHDMHLIO-CYBMUJFWSA-N 302.370 4.166 0 40 DIAB Cc1cc(Cl)ccc1NS(=O)(=O)/C=C/c1ccccc1 7402719 AUNMZFXTDNWTMX-MDZDMXLPSA-N 307.802 4.061 0 40 DIAB Cc1nc(S[C@@H](C)C(=O)c2ccccc2)c2ccccc2n1 7777261 OIHVQHWPJMBOJW-LBPRGKRZSA-N 308.406 4.302 0 40 DIAB CCCOc1ccccc1NC(=O)Nc1ccc(F)cc1F 9459864 SHKWPAOXTWUTKZ-UHFFFAOYSA-N 306.312 4.398 0 40 DIAB Cc1cc2nc(-c3ccc(CNC(=O)C(C)C)cc3)oc2cc1C 10120359 FWZWWKJIZNRNHS-UHFFFAOYSA-N 322.408 4.384 0 40 DIAB O=C(CC1CCCC1)OCc1cc(-c2ccc(F)cc2)on1 12725857 YBRKLVDVKHSBIY-UHFFFAOYSA-N 303.333 4.104 0 40 DIAB C[C@@H]1CCN(C(=O)c2ccc(F)cc2)c2ccccc2S1 12779798 JCDWVUVBYUBWBU-GFCCVEGCSA-N 301.386 4.357 0 40 DIAB O=c1oc2ccccc2cc1-c1nc(-c2ccccc2Cl)no1 12879987 JWAZBQPDHPXXRJ-UHFFFAOYSA-N 324.723 4.163 0 40 DIAB Cc1cc(C)nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 13326418 WCLLDWGVOBTESK-UHFFFAOYSA-N 309.196 4.186 0 40 DIAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2)c(F)c1 13787463 SNYYCYQMBGZHJU-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB Cc1cc(C(=O)Oc2ccc(Cl)cc2C)c2c(C)noc2n1 14207433 REYIWCUPVSCCON-UHFFFAOYSA-N 316.744 4.021 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCCC1 14400283 JQVINHJQAPMQFH-SFHVURJKSA-N 319.445 4.082 0 40 DIAB Cn1nccc1/C=C/c1nc(-c2ccc(Cl)cc2)cs1 23107890 YAVKJURVIWLYPN-VOTSOKGWSA-N 301.802 4.367 0 40 DIAB O=C(NCc1ccccc1)Nc1ccc2c3c(cccc13)CC2 25103335 ZULIRHINZLXUQJ-UHFFFAOYSA-N 302.377 4.260 0 40 DIAB COc1cc2c(cc1CN[C@@H](C)c1ccccc1F)O[C@@H](C)C2 25363156 XQMKRVMBTHPWGB-STQMWFEESA-N 315.388 4.009 0 40 DIAB CCc1ccc([C@H](NC(=O)Cc2csc(C)n2)C(C)C)cc1 26394044 CYRIGYXMXQNIKU-GOSISDBHSA-N 316.470 4.070 0 40 DIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 30873900 MJUSZMQZCVZUHP-ZIAGYGMSSA-N 315.438 4.053 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 44837586 GFXKGXSWEIDVCU-UHFFFAOYSA-N 305.381 4.254 0 40 DIAB CCc1ccc2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 45887804 LQGUQRUQGDZWLO-UHFFFAOYSA-N 324.771 4.291 0 40 DIAB CC(C)c1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1 57823134 QEYMKMNZBBUSDJ-UHFFFAOYSA-N 301.821 4.032 0 40 DIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)[C@H](C)C1CC1 62579931 LSQZNYKZYYGDQE-LLVKDONJSA-N 318.417 4.128 0 40 DIAB CC(C)(NC(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 65402601 QCPOEMILKGWVSK-UHFFFAOYSA-N 322.433 4.475 0 40 DIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 71771260 AZQAIRJYCUWZPD-JAZQRGJZSA-N 300.442 4.302 0 40 DIAB Cc1ccc(Oc2ccc(C(=O)Nc3nccs3)o2)cc1 72264852 QSVXBONUXWYEPW-UHFFFAOYSA-N 300.339 4.089 0 40 DIAB CN(Cc1ccncc1Cl)[C@@H](c1ccc(F)cc1)C1CC1 75765538 ZWOWWHFYZCWGNR-QGZVFWFLSA-N 304.796 4.457 0 40 DIAB COc1cc(OCc2ccccc2)c(OC)cc1Br 95830591 GKSZUUGCKYUQMN-UHFFFAOYSA-N 323.186 4.045 0 40 DIAB CCN(Cc1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 102089491 FIKCKIVWJDRGEG-IRFCIJBXSA-N 312.501 4.162 0 40 DIAB O=C(c1ccccc1Cl)N1CCS[C@@H](c2ccco2)CC1 207006637 DVRGLNAWAWRJRB-OAHLLOKOSA-N 321.829 4.253 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2C)cc1C 223392513 ABOJFVJKJMYNGS-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2)cc1 224019402 JZKCAHQVFVBLSE-DNVCBOLYSA-N 311.425 4.284 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c(C)c1 225025366 ZRLSHXXWMGEVRC-INIZCTEOSA-N 304.773 4.032 0 40 DIAB COc1ccc(CCC(=O)NC(C)(C)CC(C)(C)C)cc1C 225107448 BOHYXPQBXPJFTB-UHFFFAOYSA-N 305.462 4.267 0 40 DIAB Cc1ccc(N2NC3(CCC(C(C)(C)C)CC3)NC2=S)cc1 225348549 NMWHVIGCRIHPGA-UHFFFAOYSA-N 317.502 4.127 0 40 DIAB c1ccc2cc(CCCc3nc(-c4ccncc4)no3)ccc2c1 538308407 RMTKYPXHEQMTKV-UHFFFAOYSA-N 315.376 4.460 0 40 DIAB COc1ccccc1C(=O)Nc1cccc2c1ccn2C(C)C 1565524744 UQDSVGLCAVKYTH-UHFFFAOYSA-N 308.381 4.483 0 40 DIAB O=C(Nc1ccccc1C(=O)c1ccccc1)NC1CCCCC1 388965 AXBKBVMTVTVBBN-UHFFFAOYSA-N 322.408 4.372 0 40 DIAB COc1ccc(NC(=O)c2c(F)cccc2F)c2ccccc12 567807 NNZMTVGWEMCHMZ-UHFFFAOYSA-N 313.303 4.379 0 40 DIAB O=C1c2ccccc2CC[C@@]1(Br)Cc1ccccc1 1744751 OHENYCLAYATUCX-QGZVFWFLSA-N 315.210 4.192 0 40 DIAB CCC(=O)c1ccc(OCC(=O)c2cc(C)c(C)cc2C)cc1 3341582 ZPRDROJGQZDVFI-UHFFFAOYSA-N 310.393 4.466 0 40 DIAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(Cl)c2)c1 3494301 HOMAGALNPQRAAL-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCCC1 3571843 RBVGHRGLDHWTNA-MRXNPFEDSA-N 308.425 4.167 0 40 DIAB CCCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C 4093674 SMEQXNOFKQHDSK-UHFFFAOYSA-N 322.412 4.248 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Oc2cccc3ccccc23)c1 5555441 ZQTCZQGMBCUYIV-UHFFFAOYSA-N 312.390 4.224 0 40 DIAB CCc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 5579038 VZOAKSPZUAEBIB-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1nc2ccccc2s1 5701324 UXOXERAZWPRPJT-MDZDMXLPSA-N 324.405 4.265 0 40 DIAB C[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6468389 WUWUSCYXVYUKNZ-CEIVAIHVSA-N 314.469 4.435 0 40 DIAB biogenic CSc1ccccc1C(=O)NCCc1ccc(Cl)cc1 6840737 ZNSAEKMSCQTFRF-UHFFFAOYSA-N 305.830 4.034 0 40 DIAB COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2Cl)cc1 7871757 RUCBPDZIBIRGHK-UHFFFAOYSA-N 324.207 4.274 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)cc1 8162983 RHVIDIWFRYPSSE-ZBZNSMLMSA-N 323.392 4.004 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]2CCCC[C@@H]21 8345358 HLBRRMINASZWTQ-YQNRRXMVSA-N 310.397 4.022 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(NC(C)=O)s1 8772639 GIIPCYKZMDMDKD-NSHDSACASA-N 316.426 4.472 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1cccnc1Cl 12778227 UBPFIOBTAIPHKK-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB Cc1cc(C(=O)OCc2cc3ccccc3nc2Cl)c(C)o1 12815394 MGPDSIJLKLCLCY-UHFFFAOYSA-N 315.756 4.455 0 40 DIAB Cc1sc(NC(=O)Cc2ccsc2)nc1-c1ccccc1 14138480 BDQVUJLCLCNYGO-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1 16241004 ZQOLPPGDVNAOGM-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB O=C(O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 16807787 RYJZDECKWXIBAX-UHFFFAOYSA-N 320.373 4.452 0 40 DIAB CC(C)c1ccc(NC(=S)NCCc2ccc(O)cc2)cc1 17052855 JCTJLVBKNGWDBK-UHFFFAOYSA-N 314.454 4.045 0 40 DIAB CC(C)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 23701448 JMSOLHVFCWLJDZ-UHFFFAOYSA-N 309.413 4.058 0 40 DIAB CC(=O)Nc1sc(NCc2ccccc2)nc1-c1ccccc1 28405583 COVCASRCLXKKPU-UHFFFAOYSA-N 323.421 4.381 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc1C 29318852 NJZUHHJYQLMRCK-CYBMUJFWSA-N 302.805 4.396 0 40 DIAB CCCCSc1nnc(Nc2cccc(NC(C)=O)c2)s1 32779004 CBFZWVIGSYVQRC-UHFFFAOYSA-N 322.459 4.132 0 40 DIAB Cc1cccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C 32931084 FNWADUJSPUGNQM-ZDUSSCGKSA-N 319.351 4.396 0 40 DIAB Cc1c(-c2cncn2CCCC(C)(C)CO)[nH]c2ccccc12 36752029 TWEQEVMXSQGPMF-UHFFFAOYSA-N 311.429 4.139 0 40 DIAB O=C(CCCc1cccs1)N1CCC[C@@H]1c1cccs1 41596261 AZJHUNUAHLHCPX-CQSZACIVSA-N 305.468 4.496 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2c(N)cccc2Cl)cc1 50352338 YNBLAPGKAJXBOL-UHFFFAOYSA-N 302.805 4.472 0 40 DIAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(F)cc3)cc2c1 67339539 HNLGNYPIZRIRQN-VQHVLOKHSA-N 311.312 4.232 0 40 DIAB CCCc1nc(C)sc1C(=O)Nc1cccc2c1ccn2C 72402619 DHAMBWLLURAMGR-UHFFFAOYSA-N 313.426 4.148 0 40 DIAB CCc1nc(C)c([C@@H](C)N(C)Cc2ccccc2OC)s1 93612580 CHYIXMQTIMZNMO-CYBMUJFWSA-N 304.459 4.216 0 40 DIAB C[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@H]1C=C[C@H]2C1 101002922 ILNDWVYKQRIFHI-BWJWTDLKSA-N 314.450 4.007 0 40 DIAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102401737 BJUBBPPBWGPCOW-RIVXBTQJSA-N 308.425 4.032 0 40 DIAB CCCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102947185 HTINKADYTIPQGV-FBIZOPLVSA-N 311.469 4.441 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 113968936 SBRKSWOONKNKDK-QFBILLFUSA-N 311.425 4.338 0 40 DIAB CCOc1cc(C)ccc1NCc1nnc(-c2ccccc2C)o1 133367419 JAJFTLATRAEYJD-UHFFFAOYSA-N 323.396 4.364 0 40 DIAB Cc1cc(C)cc(OCC(=O)NCc2ccc3ccccc3c2)c1 222781088 CYBSNCCTLFECQL-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB O=C(c1ccc(F)cc1)N1CCS/C1=C/c1cccs1 225234647 YWUBEQNNZDRIRX-GXDHUFHOSA-N 305.399 4.075 0 40 DIAB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225673429 QBHATRQDJPQRQY-IBGZPJMESA-N 319.445 4.316 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)o1 226305188 ZFYQJHOKCCCDEI-STQMWFEESA-N 312.413 4.240 0 40 DIAB O=C(CSc1cccc2cccnc12)Nc1ccccc1F 43018 OWLWPTQCZIUZLV-UHFFFAOYSA-N 312.369 4.105 0 40 DIAB CCOc1cccc(=O)c2c(C)n(-c3cccc(OC)c3)c(C)c12 54458 OCIHHUAEJBWTFT-UHFFFAOYSA-N 323.392 4.015 0 40 DIAB CCc1cc2cccc(C)c2nc1SCC(=O)N(CC)CC 412592 XOXMVZCHQJPWLG-UHFFFAOYSA-N 316.470 4.066 0 40 DIAB CCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C(C)C 1345463 MODGANPBCXQUDR-UHFFFAOYSA-N 303.431 4.055 0 40 DIAB COC(=O)[C@]1(c2ccccc2)Cc2ccccc2-c2ccccc21 1682020 GAXHZDPCJBAVHN-QFIPXVFZSA-N 314.384 4.369 0 40 DIAB COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl 2630786 NSSIFPJDBUIUJI-UHFFFAOYSA-N 314.772 4.011 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1 3407416 WKXTZHRKWSBHGU-UHFFFAOYSA-N 305.299 4.376 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)NC1CCCCCC1 3428276 MOLICCFOAQPYJU-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3566048 PZHIVELVMCIYCI-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)(C)C 4033056 NWIZRZWRCMVLDT-UHFFFAOYSA-N 322.412 4.079 0 40 DIAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 4743456 GUBNWXDDDXQJOQ-GAXNORQESA-N 306.490 4.141 0 40 DIAB in-vitro S=C(NC1CCCCC1)N[C@H]1CCSc2ccccc21 5239537 WCDYIWHSOMOGJM-AWEZNQCLSA-N 306.500 4.020 0 40 DIAB O=C(Cc1ccsc1)Nc1ccc(N2CCCCCC2)cc1 5244954 NJFRCTVTZSMBDC-UHFFFAOYSA-N 314.454 4.310 0 40 DIAB CCCC(CCC)NCCOC(=O)[C@@H](CC)c1ccccc1 5972868 RELYJPKUNBLODF-SFHVURJKSA-N 305.462 4.282 0 40 DIAB CCOc1cc(/C=C2/C(=O)N(CC)c3ccccc32)ccc1OC 6953658 PYOVFDMIGOCCRE-FOWTUZBSSA-N 323.392 4.001 0 40 DIAB CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 7660323 XPNQJCSUADPQJO-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB CCOc1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1 7943541 ZPFRCGXZZGDEOL-UHFFFAOYSA-N 301.386 4.202 0 40 DIAB Cc1ccc(-c2cc(C(=O)N[C@H](C)C3CC3)c3ccccc3n2)o1 8132169 ZPLJAGGXHCYGSF-CYBMUJFWSA-N 320.392 4.332 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@H]1C 14738173 MPDBKERXMFOIEE-CHWSQXEVSA-N 315.800 4.085 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 16027633 TTWYUPSVWLOIRF-VTYCOLDWSA-N 316.441 4.060 0 40 DIAB biogenic Cc1ccc2nc(-c3ccc(CNC(=O)CC(C)C)cc3)oc2c1 16348594 LXPVJTVHIWVUOK-UHFFFAOYSA-N 322.408 4.466 0 40 DIAB O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 17744868 MFWMHPMLQLEHQN-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB O=C(NCCSCc1ccccc1)Nc1ccc(Cl)cc1 18173953 RUWGRTQNLNNPCM-UHFFFAOYSA-N 320.845 4.395 0 40 DIAB COCCOC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 18272338 XZBOMXGQNKJMDE-UHFFFAOYSA-N 321.376 4.013 0 40 DIAB CCOC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 20136186 RBJPDJTUIVTNOQ-UHFFFAOYSA-N 301.729 4.325 0 40 DIAB CCC(=O)Nc1cccc(-c2nc(-c3cccc(C)c3)no2)c1 20900011 JYGVDEPSVDGHHA-UHFFFAOYSA-N 307.353 4.061 0 40 DIAB COc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)no2)cc1 21786513 LLEJUJCIYNROBI-UHFFFAOYSA-N 323.348 4.186 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C 22006563 KMRRSZRBKNWLFC-FUHWJXTLSA-N 310.441 4.065 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccccc1 22500220 QPMSFZMUOCMBEH-KBPBESRZSA-N 315.438 4.053 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 24958718 AVXVVTIZXNIKQV-CABCVRRESA-N 315.388 4.087 0 40 DIAB Cc1ccc(F)cc1C(=O)N1CCCSc2ccccc21 25804647 JYBJHVWBUGKIMA-UHFFFAOYSA-N 301.386 4.277 0 40 DIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1 26128490 VNABEOVXWMMHOU-UHFFFAOYSA-N 312.369 4.191 0 40 DIAB CCn1c(C)c(C)c2cc(C(=O)Nc3nc(C)cs3)ccc21 27981497 SHXIMWPOPUXOIQ-UHFFFAOYSA-N 313.426 4.295 0 40 DIAB c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)s2)cc1 28539850 QWQOJSFJANAZIM-UHFFFAOYSA-N 324.434 4.374 0 40 DIAB Cc1ccc(F)c(NC(=O)CCSCc2csc(C)n2)c1 32450203 ZHAZJJKUAUZXTO-UHFFFAOYSA-N 324.446 4.161 0 40 DIAB O=C(O)C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 37528323 NOVBESKEIIKZQM-UHFFFAOYSA-N 309.192 4.479 0 40 DIAB Cc1sc(-n2cccc2)c(C(=O)N[C@H](C)c2ccco2)c1C 39978551 ONBGZQPVRWZJEX-GFCCVEGCSA-N 314.410 4.240 0 40 DIAB c1ccc(CN(c2ncnc3sc4c(c23)CCC4)C2CC2)cc1 48326782 MVELITOCBSLRNS-UHFFFAOYSA-N 321.449 4.349 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccc[nH]1 58210473 XXJZSTJNZNSUKS-CQSZACIVSA-N 323.318 4.403 0 40 DIAB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)NC1CCCC1 72206540 CCQNHKFAZNVLPG-UHFFFAOYSA-N 309.837 4.319 0 40 DIAB Cc1csc([C@H]2CCCCN2C(=O)CC2=CCCCC2)n1 72270347 DBSSISUARSBHLI-OAHLLOKOSA-N 304.459 4.396 0 40 DIAB Cc1ccc(S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)cc1C 72312668 ANSKRYXMIJXQRX-ZDUSSCGKSA-N 321.442 4.124 0 40 DIAB O=C(c1nccc2ccccc12)N(CCC(F)(F)F)C1CCC1 84621741 LUEFIJBIKIAULN-UHFFFAOYSA-N 322.330 4.182 0 40 DIAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1C 96182970 ZZERYEPBEFALJL-UHFFFAOYSA-N 322.408 4.176 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 108853333 LAATVQURGJINLT-XUXIUFHCSA-N 323.889 4.373 0 40 DIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 108924803 HYTKPAJFUFMASA-LLDVTBCESA-N 310.441 4.041 0 40 DIAB COc1ccccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225097992 DXDIHXYGRRHFJZ-HNNXBMFYSA-N 322.813 4.137 0 40 DIAB C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 225354673 NAIYWXDWQXEEKB-NSHDSACASA-N 300.229 4.185 0 40 DIAB O=C(c1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccccc12 228977113 IPWLPAZCAMIMFM-UHFFFAOYSA-N 305.255 4.298 0 40 DIAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccc(F)c3)nn2)c1 408528585 JLMAPPWYOFRIJM-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB COc1cc2c(cc1C)-c1nc(Nc3ccccc3)sc1CC2 408886797 MDTKVFWGYNWJFF-UHFFFAOYSA-N 322.433 4.969 0 40 DIAB Cc1cc(N[C@H](c2cccnc2)c2c(C)[nH]c3ccccc23)no1 79307 SUYGBHZVJJAAIY-LJQANCHMSA-N 318.380 4.369 0 40 DIAB CC(=O)Nc1cccc2ccc(-c3cnc4ccccc4c3)nc12 510130 NYFHJPUWPBWQJD-UHFFFAOYSA-N 313.360 4.408 0 40 DIAB Cc1ccc(C(=O)[C@H](C)Sc2ccc3c(c2)OCCO3)cc1 3489470 KGWSLDSMBBYWCQ-ZDUSSCGKSA-N 314.406 4.130 0 40 DIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 4906201 WSAXRIHUTBRRLL-UHFFFAOYSA-N 315.244 4.196 0 40 DIAB CC(C)c1ccccc1OCC(=O)N1CCCc2ccccc21 5414069 NCYKFBPVOVONED-UHFFFAOYSA-N 309.409 4.168 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1F 5630804 WIQCJBKLUVTYBL-UHFFFAOYSA-N 319.379 4.352 0 40 DIAB CC[C@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 6319472 ZPPJEMYMMDUINI-AWEZNQCLSA-N 316.470 4.167 0 40 DIAB O=C(CCSc1ccccc1)N[C@H]1CCCc2ccccc21 6433960 OLKWTYNPELYACM-SFHVURJKSA-N 311.450 4.363 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(F)cc(F)c1 7485952 LVEQPWHSHBQRFG-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1C 8007330 JWBLLSWGHAGYEX-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB O=C(Nc1cccc(Cl)c1Cl)c1cnc2ccccc2n1 8849716 RALICJQWGZJSFO-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB CCc1oc2ccccc2c1CN(C)C(=O)Nc1cccnc1 9322828 BUTFEXINUOTHAA-UHFFFAOYSA-N 309.369 4.054 0 40 DIAB CCC[C@@H](N[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 9516828 CHHDCMJGHBBNQU-RHSMWYFYSA-N 314.404 4.284 0 40 DIAB Cc1cc(C)c2nc(C)cc(NC(=O)/C=C/c3ccco3)c2c1 12421880 NGHHVYMEFAQFCP-VOTSOKGWSA-N 306.365 4.405 0 40 DIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCc1ccccc1 12539342 CJUBKCWOSLWMJT-ZHACJKMWSA-N 322.795 4.218 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc2cccnc12 12798538 SUBVCDQNVHTNIP-RUMSDORHSA-N 314.388 4.226 0 40 DIAB Cc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12919633 KNSCFHAEBNSYLE-UHFFFAOYSA-N 307.393 4.085 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 15199144 LKBFDUKJNAWESY-MRXNPFEDSA-N 315.413 4.409 0 40 DIAB CC(C)Oc1cccc(C(=O)c2cccc(Br)c2)c1 15441627 WOMCOPOKOFYWPZ-UHFFFAOYSA-N 319.198 4.467 0 40 DIAB O=C1CS[C@@H](c2ccccc2Cl)N1c1ccc(F)cc1 17197939 XJYLMYKDTUUHDF-HNNXBMFYSA-N 307.777 4.258 0 40 DIAB CC1CCC(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 18044536 WTHLPVOXXPMQIJ-YYFIXUIPSA-N 309.881 4.259 0 40 DIAB Nc1cc(Cl)ccc1NC(=O)c1cc(Cl)ccc1Cl 21787101 DNKCWWWJYATKFH-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB C/C=C/c1cc(C(=O)N(C)C2CCCCC2)cc(OC)c1OC 24468671 GTLIUSFMWPSHRE-WEVVVXLNSA-N 317.429 4.142 0 40 DIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2ccccc2s1 29330690 RCYJHHKTFKRQEI-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc2cc[nH]c2c1 32124228 JFWFIXJDKDJDLQ-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB biogenic Cc1ccc2c(C)c(C(=O)N3CCOC34CCCCC4)oc2c1 35671086 RGFDSLOJTLPGSN-UHFFFAOYSA-N 313.397 4.182 0 40 DIAB CC[C@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611864 DGTKTRHSRRYFJE-NSHDSACASA-N 322.433 4.002 0 40 DIAB O=C(NC1CCCCCCC1)c1snnc1-c1ccccc1 40288373 OOTKOSPUPZNAHY-UHFFFAOYSA-N 315.442 4.048 0 40 DIAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCCC1 61454884 QMYGYGMHMKHEQD-UHFFFAOYSA-N 311.450 4.356 0 40 DIAB c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 72215911 ITOXHFKFWQXLSE-LJQANCHMSA-N 307.441 4.019 0 40 DIAB FC(F)(F)c1ccc(Br)c(CN2CCCC2)c1 90413623 XLZKDXIFNKDNNO-UHFFFAOYSA-N 308.141 4.064 0 40 DIAB CCc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 97987537 JNLGNFALIYBHDV-LFIBNONCSA-N 311.768 4.247 0 40 DIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102292374 HGRAYTWTPLWEEQ-BWMZKYQQSA-N 307.437 4.323 0 40 DIAB COc1cc(Br)c2[nH]c(-c3cccc(C)c3)nc2c1 216912962 OEUMFMRPHLPAGX-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB Cc1ccc(C)c(C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224187131 IFKODMLDOMXTDH-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1F)c1ccc(OC)c(C)c1 224852098 FXNDSGGCAJTQAG-MRXNPFEDSA-N 301.361 4.024 0 40 DIAB CC(C)Oc1ccccc1NC(=O)Cc1ccc(Cl)cc1F 224931059 BPZHBZCHLHPQCR-UHFFFAOYSA-N 321.779 4.448 0 40 DIAB CC(C)c1ccccc1O[C@@H](Cc1ccc(F)cc1)C(=O)O 225054163 YECUEEHDRHHYKW-KRWDZBQOSA-N 302.345 4.024 0 40 DIAB COCCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1 254397432 DFWDCHUBKNBNAF-UHFFFAOYSA-N 324.449 4.404 0 40 DIAB COC(=O)CCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 575361000 ZRCYPWJVYMQBFI-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB C=CC(=C)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 575425597 UBJWQSAXRQWJKQ-UHFFFAOYSA-N 321.858 4.450 0 40 DIAB CC(C)Oc1cccc(C(=O)Nc2nc3ccccc3s2)c1 68097 JPXFQLCQCXPOHA-UHFFFAOYSA-N 312.394 4.336 0 40 DIAB O=C(O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)O 345566 QPKYPOMZPFDBEZ-UHFFFAOYSA-N 308.289 4.010 0 40 DIAB in-vivo O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCC2)c1 2515134 VAQVJVGFJLMPAY-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB O=C(Cc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 3609134 KQFUPKJXTRLWPT-UHFFFAOYSA-N 319.379 4.274 0 40 DIAB Cc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138183 QWCYWRCXVGXPRR-UHFFFAOYSA-N 318.420 4.285 0 40 DIAB CC(C)(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 4970858 MMCUVIKQSDCBML-UHFFFAOYSA-N 312.438 4.279 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)OCc1c(F)cccc1Cl 6384156 FPXITHQOPIOCQX-UHFFFAOYSA-N 317.747 4.246 0 40 DIAB CC(C)(C)c1ccc(CSc2nc(-c3cccnc3)n[nH]2)cc1 6493055 ZODNJAZHGMLPCY-UHFFFAOYSA-N 324.453 4.457 0 40 DIAB COc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 7529503 XILIVJDZVMRULJ-KRWDZBQOSA-N 312.438 4.059 0 40 DIAB C[C@H](Sc1cc(F)ccc1F)C(=O)NC1CCCCCC1 7934853 UDLYZBZYARMUHX-NSHDSACASA-N 313.413 4.284 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F 7969159 NDTRSYFTBPNKRU-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CCOc1cc(CNCC(C)C)ccc1OCc1ccccc1 8254617 BOYLMWUIDGOSLM-UHFFFAOYSA-N 313.441 4.410 0 40 DIAB CCOC(=O)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 8614899 UKNKFYWZJHMEJI-UHFFFAOYSA-N 319.364 4.064 0 40 DIAB CCN(Cc1ccncc1)C(=S)Nc1cccc(Cl)c1C 8653699 ZXVFOLLFJWDBSZ-UHFFFAOYSA-N 319.861 4.262 0 40 DIAB Cc1cccc2nc(C(=O)Oc3ccc4ccccc4c3)cn12 9156740 QSXUNWXCDUJJAG-UHFFFAOYSA-N 302.333 4.015 0 40 DIAB COc1ccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)cc1 11907655 RHJJMBRFCKWHHC-UHFFFAOYSA-N 321.380 4.213 0 40 DIAB CC(C)c1cccc(Nc2ccc3nnc(C(F)(F)F)n3n2)c1 12587965 KWNRGEJROBZRCR-UHFFFAOYSA-N 321.306 4.010 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2C)cc1Cl 12736236 MOCLUJGDTZRJIK-UHFFFAOYSA-N 316.788 4.168 0 40 DIAB CC1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13686957 USHQTDLHLOLXIM-UHFFFAOYSA-N 309.409 4.138 0 40 DIAB Cc1cccc(CC(=O)NCC2(c3cccs3)CCCC2)c1 13803179 FQBIDZHJZMGNLX-UHFFFAOYSA-N 313.466 4.227 0 40 DIAB O=C(Nc1ccnn1C1CCCCC1)c1cc2ccccc2o1 14241700 XOYLQXAHEWGNHO-UHFFFAOYSA-N 309.369 4.387 0 40 DIAB Cc1nc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)s1 15655031 RGFHPBLVTKAPEY-UHFFFAOYSA-N 322.433 4.279 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 20193884 GNORLLZFZSRWHU-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC(C(C)C)C(C)C 20492725 RLZCBSPJKDLMSI-MRXNPFEDSA-N 305.462 4.258 0 40 DIAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccco1 28231865 DLAHNBRPQYWKIJ-UHFFFAOYSA-N 301.367 4.085 0 40 DIAB COc1ccc(CN[C@H](C)c2cc3cccc(OC)c3o2)cc1 28925817 GVLVXFBDZXTPIS-CYBMUJFWSA-N 311.381 4.301 0 40 DIAB C(=C\c1cc(CCc2nc3ccccc3[nH]2)[nH]n1)\c1ccccc1 31829816 OWYXAQBXRBXNCS-KHPPLWFESA-N 314.392 4.242 0 40 DIAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(F)cc2)cc1 35671945 PZCQOXVLJOHGJX-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB Cn1c(SCc2ccc(Cl)s2)nnc1-c1ccco1 39574629 GAFZNRHCGARTCN-UHFFFAOYSA-N 311.819 4.082 0 40 DIAB COc1ccc(Nc2ccccc2C(=O)N2CCCCCC2)cc1 48234135 WKLBGZIZYHNWIK-UHFFFAOYSA-N 324.424 4.455 0 40 DIAB Fc1ccc2oc([C@H]3CCN(CC4CCCCC4)C3)nc2c1 49169150 JXICCHYACYLCGN-AWEZNQCLSA-N 302.393 4.337 0 40 DIAB biogenic,in-vitro CC(=O)N1CCC[C@H](c2ccc(-c3ccc(Cl)cc3)cn2)C1 72364993 VGTWESRASIJPKF-INIZCTEOSA-N 314.816 4.128 0 40 DIAB CC(C)c1nc([C@@H]2CCCN2Cc2cccc3cccnc23)no1 75581715 GZQGZRBIYBLUKN-INIZCTEOSA-N 322.412 4.078 0 40 DIAB C[C@H](Cc1ccoc1)NC(=O)C(c1ccccc1)c1ccccc1 84827376 IEEBQOULZFLWJS-MRXNPFEDSA-N 319.404 4.159 0 40 DIAB CCN(c1ccc(NC(=O)OCC(F)(F)F)cc1)C(C)C 87304840 SOBWSIWTRMLFCE-UHFFFAOYSA-N 304.312 4.032 0 40 DIAB in-vitro C[C@H](N[C@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 95423054 GKSBXOPABQKIBV-YVEFUNNKSA-N 323.358 4.268 0 40 DIAB Cc1c(-c2ccc(Cl)cc2)nn2c(-c3ccncc3)ccnc12 95478856 BCJRELYMNWOTGX-UHFFFAOYSA-N 320.783 4.420 0 40 DIAB COC(=O)c1ccc(NCc2cccc(C(F)(F)F)c2)cc1 95964597 ULGPYVANDPIBSV-UHFFFAOYSA-N 309.287 4.104 0 40 DIAB C[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C 95978536 UJJDCQDBMRVRGZ-CRAIPNDOSA-N 315.457 4.067 0 40 DIAB O=[S@@](Cc1coc(-c2ccccc2)n1)CC1CCCCC1 96403875 ROARTXXIYGALEN-NRFANRHFSA-N 303.427 4.171 0 40 DIAB Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)Cc1ccon1 96468539 UPPYUPYHUKFDAZ-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB Cn1/c(=N\C(=O)c2ccc3ccccc3c2)sc2ccccc21 100811299 WZQLFCGOIZMKQU-FMQUCBEESA-N 318.401 4.134 0 40 DIAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](F)CC[C@@]43C)[C@@H]1CCC2=O 118933816 UVUJMCURBIDHPW-LMCNQGNMSA-N 306.421 4.115 0 40 DIAB CCc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 224859347 RUQFLVVWYYMRSM-UHFFFAOYSA-N 321.464 4.273 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(C)n1)c1ccc(C)cc1C 225717257 IKQSWWUPJIGGQD-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4)nc3c2)C[C@H](C)O1 226317336 LOLLZEXNUKHSSC-GJZGRUSLSA-N 322.408 4.104 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)C(F)(F)Br 307229971 AFUAFRJOYZUBLC-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)Cc1ccsc1 390828256 APPHUSNGIPVFTB-CQSZACIVSA-N 311.516 4.203 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 408681795 SWLJCEWEQATUMF-MRXNPFEDSA-N 301.430 4.077 0 40 DIAB Cn1cc(CSc2ncc(-c3ccc(Cl)cc3)o2)cn1 504508533 VGPHGWXXCKJGTQ-UHFFFAOYSA-N 305.790 4.021 0 40 DIAB O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)C(F)(F)F 720876880 SFLWKQWSQIEZJN-UHFFFAOYSA-N 319.282 4.492 0 40 DIAB O[C@@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139797 ASUIJTQOWIPBJV-KJJMTIBFSA-N 321.464 4.206 0 40 DIAB COc1ccc(CC(=O)Sc2nc3ccccc3s2)cc1 35244 ZWPPJWLROGTRKY-UHFFFAOYSA-N 315.419 4.166 0 40 DIAB COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 200578 HNIZSCPYGPVDOC-UHFFFAOYSA-N 322.412 4.150 0 40 DIAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 311639 UDAJGLZJIVOPJC-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CC(C)Cn1c(-c2ccccc2)nc2nc3ccccc3nc21 539432 PLYYYRRXRWAHQN-UHFFFAOYSA-N 302.381 4.303 0 40 DIAB CCn1c(-c2cccc(Br)c2)nc2ccccc21 572623 LZUXQFBMLJPSDL-UHFFFAOYSA-N 301.187 4.486 0 40 DIAB CC(=O)O[C@H](c1cccc(Cl)c1)C(Cl)(Cl)Cl 2044227 PVPSWSJMTSJBKM-SECBINFHSA-N 301.984 4.314 0 40 DIAB C[C@]12C[C@@H](NC(=O)N1c1cccc(Cl)c1)c1ccccc1O2 2601930 JFOXHAYEZIEUTA-PBHICJAKSA-N 314.772 4.110 0 40 DIAB CC[C@@H](C(=O)OCC(=O)c1ccc(Cl)s1)c1ccccc1 3317950 XQNDTULFRPVENQ-GFCCVEGCSA-N 322.813 4.321 0 40 DIAB Cc1csc(NC(=O)COc2ccccc2-c2ccccc2)n1 3429398 WZEPCVDZIBOFQD-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)C3CCC3)n2)c(C)c1 3560711 PHSNUUNKFONGFQ-UHFFFAOYSA-N 300.427 4.474 0 40 DIAB COC(=O)c1ccc(N2CCc3cc4ccc(C)cc4nc32)cc1 4137028 VJUFHSYYFLMUNV-UHFFFAOYSA-N 318.376 4.024 0 40 DIAB CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC 4281395 JPPIQETUUBNFCC-UHFFFAOYSA-N 310.353 4.201 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC1=CCCCC1 4680820 WUPVSVYXDOZGIK-ZDUSSCGKSA-N 307.821 4.114 0 40 DIAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 5032741 PQYWNBOLMJKLKM-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccnc1Cl 6341446 DTCUVUMKNVEQEF-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCCCCNc1cc(C)nc2c(-c3ccccc3OC)cnn12 7636245 QKDJZNXQOIXIBE-UHFFFAOYSA-N 324.428 4.315 0 40 DIAB CC(=O)Nc1ccc(-c2nc(NC3CCCC3)sc2C)cc1 8225435 UFAWQFFXNPVEMH-UHFFFAOYSA-N 315.442 4.431 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1Cl 8497049 BAWJNQOSBJEIKZ-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(SC)c1 8499871 WVRLFGVIDNKLGM-INIZCTEOSA-N 301.411 4.205 0 40 DIAB CCc1ccc2c(c1)c(C)c(C(=O)NCc1cccc(C)c1)n2C 9264129 UNSFNVJMRYJGPL-UHFFFAOYSA-N 320.436 4.288 0 40 DIAB CSCc1c(C(=O)N2CCC(C)CC2)oc2ccccc12 9449386 ZFKYRBAVHIMTAX-UHFFFAOYSA-N 303.427 4.168 0 40 DIAB COc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(OC)c1 9689856 KLJVIKJFVHJNFK-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB Cc1ccc2c(COc3ccc(F)cc3Cl)cc(=O)oc2c1 11028206 JOIZORLAOCYRKQ-UHFFFAOYSA-N 318.731 4.473 0 40 DIAB C[C@H]1CCc2sc3ncn4c(-c5ccccc5)nnc4c3c2C1 13624199 PFMIFNBBJADTDH-NSHDSACASA-N 320.421 4.131 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 13935123 ILSOHMMCDARTPS-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB Fc1cccc(CN(Cc2ccccc2)Cc2ccncc2)c1 13989200 DKGZDDZDGCYUMA-UHFFFAOYSA-N 306.384 4.423 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 14255886 RETFRKOSFVGGBQ-UHFFFAOYSA-N 323.845 4.402 0 40 DIAB CSc1ccccc1C(=O)Nc1cccc(OC(C)C)c1 20241937 SRPFNPXGTWCWTN-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB CCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 27023738 DWJWKSPLHTYCPZ-UHFFFAOYSA-N 315.760 4.223 0 40 DIAB CC[C@@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1 28252575 GSPVGRLMYQFGJO-CYBMUJFWSA-N 311.410 4.271 0 40 DIAB Cc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2)C1=O 35313572 HQWYUZUGBQAVDU-WJDWOHSUSA-N 324.405 4.101 0 40 DIAB Cc1cccc2c1N(C(=O)c1csc(-c3ccco3)n1)CCC2 40052515 SUKHNFCGVMZJJS-UHFFFAOYSA-N 324.405 4.305 0 40 DIAB CCCCc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 41091272 DIWSZXKKHAYBRF-UHFFFAOYSA-N 321.417 4.278 0 40 DIAB CCCc1nc(CSc2nnc(SCC)s2)cs1 45002919 DHTMQXQQGFSZTL-UHFFFAOYSA-N 317.530 4.351 0 40 DIAB Cc1nc(Oc2ccc(-c3ccccc3)cc2)c2cnn(C)c2n1 54041469 OJEFESHIPSUCAK-UHFFFAOYSA-N 316.364 4.131 0 40 DIAB C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 57999942 QOOMUXCSLYFMOF-HNNXBMFYSA-N 310.441 4.273 0 40 DIAB CCn1c([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 69463130 KRLAGXUZXXWQNH-QAPCUYQASA-N 323.440 4.076 0 40 DIAB C[C@@H](NCc1nc(-c2ccsc2)no1)c1ccccc1Cl 69570418 CNBLGARZDVCPMI-SNVBAGLBSA-N 319.817 4.302 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(OC(F)F)c1 71282462 UOLGENDYURFVKI-GFCCVEGCSA-N 321.327 4.189 0 40 DIAB O=C(CCCc1ccccc1)N(CCc1cccs1)C1CC1 75154787 XEGKJISSQBRLGJ-UHFFFAOYSA-N 313.466 4.305 0 40 DIAB Nc1ccccc1-c1nc(-c2ccccc2C(F)(F)F)no1 89262362 GKSSFTUFVIYNSS-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB COc1ccc2cc(C(=O)c3c(F)cccc3OC)ccc2c1 95917087 DDHQSDDUNCETPG-UHFFFAOYSA-N 310.324 4.227 0 40 DIAB Fc1cc(Cl)c(NCc2nnc(C3CC3)o2)c(Cl)c1 96005635 YCJMPXJQXNAUQW-UHFFFAOYSA-N 302.136 4.005 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NC(C(C)C)C(C)C)cc1 113969172 YPZYACPYLIYQFP-KRWDZBQOSA-N 305.462 4.203 0 40 DIAB CCC[C@@H](C)OC(=O)c1ccccc1C(=O)OCCC(C)C 169748448 YWCBNWGRYSZDBV-CQSZACIVSA-N 306.402 4.235 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCCC[C@H]1C 216866678 SWYFPYSFNCHKLZ-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2c(C)cccc2C)C(=O)O)c1 225031681 DLJALKWFYZUUAE-IBGZPJMESA-N 312.409 4.303 0 40 DIAB COc1ccc(CCC(=O)Nc2cccc(SC)c2)cc1C 225645265 IQMJZTZOKDSDKJ-UHFFFAOYSA-N 315.438 4.297 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 225770207 AXVLUXAGHSPGRA-UHFFFAOYSA-N 321.471 4.155 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)nc(C)n2C 225893853 WXVQDIHLFAPOCC-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB COc1cc(OC)c2c(=O)c(-c3cccc(Cl)c3)coc2c1 58157 USNKYQXLHXAMIJ-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB biogenic CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccco1 203649 NMWFEZXGUYUYGA-LJQANCHMSA-N 301.349 4.293 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 579710 FQEOKDNKGGZGSB-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB FC(F)(F)c1cccc(-n2nnnc2-c2cccc(Cl)c2)c1 1386040 DCDOBAQAPQENEG-UHFFFAOYSA-N 324.693 4.002 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 2760078 AXPMYYAWGYWYDU-UHFFFAOYSA-N 318.442 4.480 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3608661 ISBDFSSFVHWEOE-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB Cc1ccc(CSC2=NCCN2C(=O)c2cccc(C)c2)cc1 4120352 CGKGTSWVJIZNFV-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CO[C@@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 4723970 RVGRHVRRAIIEDT-CQSZACIVSA-N 310.180 4.320 0 40 DIAB CC(=O)Nc1ccc(-c2csc(NC3CCCC3)n2)cc1 5156716 ZGUJCQBDMZTXGU-UHFFFAOYSA-N 301.415 4.123 0 40 DIAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 5638321 HKJXPUNRRIAWSE-CYBMUJFWSA-N 301.361 4.355 0 40 DIAB Cc1ccc(OCCN2C(=O)c3cccc4cccc2c34)cc1 6128225 KLKHCLCIIUVYHK-UHFFFAOYSA-N 303.361 4.187 0 40 DIAB CCCOc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OC 7062858 QIIBLKRNLUQFRG-FOWTUZBSSA-N 323.392 4.001 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2F)o1 9911179 GSPPXFYBXNQABR-UHFFFAOYSA-N 313.303 4.155 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12883782 ZOLIYXDHXRDLCQ-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB CC(C)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]1(C)O 13633548 LDCYUQWOTSEZCL-MXEMCNAFSA-N 309.453 4.486 0 40 DIAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@H]12 13658729 NVXYQEIQUDSTGK-KBPBESRZSA-N 320.230 4.380 0 40 DIAB Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1 16052235 JYCUVOXSZBECAY-UHFFFAOYSA-N 301.353 4.072 0 40 DIAB in-vivo FC(F)(F)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 16212659 FNEKDQWBBFCRFP-OPQQBVKSSA-N 314.376 4.180 0 40 DIAB Cc1cc(OCCCC(=O)Nc2ccccc2O)ccc1Cl 16483001 BGJLJZUGRNGVKO-UHFFFAOYSA-N 319.788 4.152 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 19934737 FNSCMAIZZDNPIV-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB CN(C)Cc1c(N)nc2ccc(Cl)cc2c1-c1ccccc1 20506692 ASHMGMPTNNCDMS-UHFFFAOYSA-N 311.816 4.199 0 40 DIAB O=C(NCc1cccs1)c1ccccc1COc1ccccc1 24347776 GNXVHNABLPZZSU-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 28781725 SYOHQCWRSPDTCR-SNVBAGLBSA-N 316.813 4.441 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@H](CO)C3 31163570 HHAMKMUMKLXDFQ-VHTXEEJTSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro O=C(c1ccccc1)[C@H](NCCc1ccccc1)c1ccccc1 31702873 GNJJDOMUTKENFI-OAQYLSRUSA-N 315.416 4.443 0 40 DIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc2[nH]ccc2c1 32102991 GOYHQANFYAIBJE-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB CCC(C)(C)NC(=O)c1cccc(OCc2cccs2)c1 32967729 FBFRDRNVZPKQTO-UHFFFAOYSA-N 303.427 4.246 0 40 DIAB C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccn1 32973735 KSMIESNFJXUKAM-HNNXBMFYSA-N 320.392 4.152 0 40 DIAB Cc1ccccc1-c1csc2c(=O)n(CCC(C)C)cnc12 38655057 ZZNKRBSRYIHCQJ-UHFFFAOYSA-N 312.438 4.480 0 40 DIAB Cc1ccc(C)c(C[S@@](=O)CCCOc2ccc(F)cc2)c1 58132494 LAQAICYXZFAVRM-JOCHJYFZSA-N 320.429 4.160 0 40 DIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72214539 FYXSMKDVCDFZCR-UHFFFAOYSA-N 317.433 4.062 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(C)C)on2)cc1 76066834 BLMYCULEZVTHIV-LBPRGKRZSA-N 304.415 4.226 0 40 DIAB Fc1cc(-n2ccnc2-c2ccccc2)ccc1Br 95915956 OVGMUCAQDGMKFS-UHFFFAOYSA-N 317.161 4.441 0 40 DIAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 96296141 KBFVACYMQKXUCI-ULQDDVLXSA-N 311.473 4.227 0 40 DIAB biogenic,in-vitro C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(=S)[nH]c2ccccc2c1=O 105873529 SBNKCZCJWMFYKY-OWTLIXCDSA-N 300.427 4.056 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NCC2CCCCC2)c1 225203082 NQHUMUZHRVABFW-UHFFFAOYSA-N 303.446 4.194 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 225368636 YMEUNSOACZTPFD-JVLSTEMRSA-N 312.240 4.231 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608621 PSOPOEYKCMCRJG-GOSISDBHSA-N 307.434 4.092 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225637368 LVPQVAXBRZRSHU-AUUYWEPGSA-N 319.445 4.316 0 40 DIAB Cc1cnc(-c2ccc(CC3CCN(C(C)C)CC3)cn2)s1 257289484 PYVMLLQKDMLBKD-UHFFFAOYSA-N 315.486 4.176 0 40 DIAB CC(C)c1ccc(CCCNC(=O)c2cccc3[nH]ncc23)cc1 522641019 KVIPJSGWWNTFCS-UHFFFAOYSA-N 321.424 4.049 0 40 DIAB Cc1csc(C(=O)N[C@H](c2cccs2)C2CCOCC2)c1 585149425 RJUQCQDBDBZXLY-HNNXBMFYSA-N 321.467 4.016 0 40 DIAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 180301 KHBGFGGWHYKKAI-HNNXBMFYSA-N 307.777 4.258 0 40 DIAB C[C@H](O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 1017194 QTKCCGREESNVSC-AWEZNQCLSA-N 305.377 4.074 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3nc(C)c(C)nc3c2)C1(C)C 1427363 GDFPHELAPFAEGX-CRAIPNDOSA-N 323.440 4.424 0 40 DIAB O[C@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 1651975 UIPDCTGNHUMGGW-WOJBJXKFSA-N 324.807 4.310 0 40 DIAB CCCCC(=O)Nc1nn(CCC)c2nc3ccc(C)cc3cc12 2371992 QDBNYDMBSHIBQA-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB CCCCSc1nnc(-c2c[nH]c3ccccc23)n1CC 4138495 MEVOKEHFVZQUCE-UHFFFAOYSA-N 300.431 4.339 0 40 DIAB Cc1ccccc1Nc1c(-c2cccnc2)nc2ccccn12 4733716 MSHLJBWLJQNOTQ-UHFFFAOYSA-N 300.365 4.448 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)cnc12 5807597 BQVDVWSLPFXJQB-CYBMUJFWSA-N 320.868 4.206 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(Br)cc1 6250137 OCINFMUKTHNZGE-NALFIARHSA-N 322.246 4.252 0 40 DIAB CC1(C)C[C@](CCNCc2cccnc2)(c2ccccc2)CCO1 6719095 KKKGDIUSZMZXSN-OAQYLSRUSA-N 324.468 4.088 0 40 DIAB C[C@@H]1C[C@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)o1 8161462 DNWMJKYEUTYVBM-YRILPIOLSA-N 308.381 4.132 0 40 DIAB CC(C)(C)[C@H]1CCc2c(sc(-n3cccc3)c2C(=O)O)C1 8731403 NUPAIYLZAYVOOJ-NSHDSACASA-N 303.427 4.388 0 40 DIAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(C)c3)CC2)c1 9062989 ICWUNFAKOLBFEX-UHFFFAOYSA-N 322.452 4.154 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccccc2Br)cc1 10313814 RFLYIFAEORYMSY-UHFFFAOYSA-N 318.214 4.329 0 40 DIAB CN(Cc1ccco1)Cc1c(-c2ccccc2)nc2sccn12 12551664 DFHWDSBZNYBEEF-UHFFFAOYSA-N 323.421 4.288 0 40 DIAB CN(Cc1ccccc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12783408 VOUXYZZKGIBSKD-UHFFFAOYSA-N 318.420 4.319 0 40 DIAB CSCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)o1 12852614 AVLSSGFANGNOGX-UHFFFAOYSA-N 315.316 4.414 0 40 DIAB CC[C@H](NC(=O)COc1ccccc1Cl)c1ccc(C)cc1 14602629 ZCYSBPPCUHQIDV-INIZCTEOSA-N 317.816 4.295 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccccc1Cl 15471980 ZLRSFHIQKRVZBC-YLSINNKHSA-N 315.800 4.239 0 40 DIAB Cc1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1C 15841759 FPDLOXFIGZCCCQ-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1c(Cl)cccc1Nc1nc2ccccc2c2nnc(C)n12 16250031 IRJNYCDHPLOAQA-UHFFFAOYSA-N 323.787 4.291 0 40 DIAB O=C(CCC1CCCC1)NCc1csc(-c2ccccc2)n1 20496180 BQEMNVQFLLXEBH-UHFFFAOYSA-N 314.454 4.397 0 40 DIAB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c(C)o1 32845016 JMBALKCMGVCXJI-LBPRGKRZSA-N 301.411 4.428 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1 32893535 FIGKCGLALJEETD-MLGOLLRUSA-N 314.385 4.076 0 40 DIAB CCOC(=O)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 33559134 OWELNNPPXOQJCG-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB CC[C@](C)(Nc1ccccc1C)c1nnnn1-c1ccccc1C 35622094 JPMSVBBGDKZACV-IBGZPJMESA-N 321.428 4.016 0 40 DIAB CC(C)(C)c1ccc(-c2nc(CNc3ccccc3)n[nH]2)cc1 40174447 SIVYTWOLWAFSPN-UHFFFAOYSA-N 306.413 4.381 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C 44847544 ZSKLUWPHIVGFJK-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB CCCOCc1ccccc1CNC(=O)Nc1ccc(F)cc1 47100086 KIYQRRXHHFGEKB-UHFFFAOYSA-N 316.376 4.074 0 40 DIAB Cc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 57340356 OHAKNLZBBNZPGZ-UHFFFAOYSA-N 318.804 4.027 0 40 DIAB CSc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 57573822 LYCMSIBJUUZFSB-UHFFFAOYSA-N 316.470 4.499 0 40 DIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1nccc2ccccc12 58420085 DWDDCCKXYHLIAV-ZIAGYGMSSA-N 322.330 4.086 0 40 DIAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(S)nn1 61966059 HBDWOBYDBFJSCG-UHFFFAOYSA-N 303.387 4.003 0 40 DIAB CC(C)Oc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72211936 WDXUFZKZDFXFLD-GOSISDBHSA-N 324.424 4.236 0 40 DIAB COC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 95728711 UDPACJGHGZSPDJ-UHFFFAOYSA-N 309.148 4.011 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223246057 CYAWPFYNYHJYJM-FOIQADDNSA-N 323.436 4.210 0 40 DIAB Cc1ccc(NC(=O)Cc2cccc(Br)c2)c(C)c1 225611908 RTQDSKDBKYHOSB-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Cl 245053620 PDEAEEMQIVSLKV-LBPRGKRZSA-N 313.784 4.447 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@H]12 253389146 XEQHVCXFKPCQNM-KWZARGIESA-N 318.457 4.013 0 40 DIAB endogenous,in-man C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)C[C@H](O)CC[C@@]34C)[C@H]1CCC2=O 253617316 IBAJBHMZVIYPNR-FQJWRULHSA-N 304.474 4.349 0 40 DIAB COCCn1ccc2ccc(NC(=O)CC3CCCCC3)cc21 539966293 QRZGRXBWDBGRCP-UHFFFAOYSA-N 314.429 4.197 0 40 DIAB O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(F)C2 1775967848 DXCMZNZXUYGHGA-OALUTQOASA-N 323.411 4.310 0 40 DIAB c1ccc(C2CC3(C2)CN(c2nc4cnccc4s2)C3)cc1 1775971136 WLGQUFHRCXICGE-UHFFFAOYSA-N 307.422 4.075 0 40 DIAB COCn1c(COc2ccc3ccccc3c2)nc2ccccc21 118504 SVSLQQZCADNSBG-UHFFFAOYSA-N 318.376 4.372 0 40 DIAB CCC[C@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569408 RRODMYNEUWOESW-FUHWJXTLSA-N 303.446 4.336 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N2CCc3ccccc32)c1 2532765 OMZGONULGBWVMP-UHFFFAOYSA-N 322.355 4.465 0 40 DIAB Cc1ccc2nc(CSc3nc(C)nc4ccccc34)cn2c1 4221312 AFJBJSWLXSVMCK-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB OCC[C@H]1CCCCN1[C@@H](Cc1ccccc1)c1ccccc1 4777672 INMDWRODOYMYGJ-RTWAWAEBSA-N 309.453 4.207 0 40 DIAB COc1nc2ccccc2cc1-c1noc(-c2ccccc2C)n1 5562430 OLWAZHYMIGRIMA-UHFFFAOYSA-N 317.348 4.269 0 40 DIAB Cc1cccc(Nc2nnc(SCc3cc(C)on3)s2)c1 5702330 LKGLSWHTIZMKSE-UHFFFAOYSA-N 318.427 4.179 0 40 DIAB Cc1cc2nc(NC(=O)Nc3cccc(Cl)c3)[nH]c2cc1C 6203381 VCYFPUHFKWPGNV-UHFFFAOYSA-N 314.776 4.477 0 40 DIAB CC(=O)[C@H](C)OC(=O)CSc1cccc2cccc(Cl)c12 7981099 HAJUHWXCHHADAT-NSHDSACASA-N 322.813 4.106 0 40 DIAB CCc1ccccc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10961915 UIIUBTQOVHBNJS-UHFFFAOYSA-N 322.412 4.135 0 40 DIAB COc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc12 12391997 UJDKGQDFFZPYOE-UHFFFAOYSA-N 318.376 4.373 0 40 DIAB Clc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 13132079 MEYFTBIXXHZJJB-HZPDHXFCSA-N 310.788 4.078 0 40 DIAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(F)c1 14111119 STFZFEMVSCPEBY-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB Cc1ccccc1-c1noc(CN(C)Cc2sccc2C)n1 15311936 QUJOVFXBFGKYST-UHFFFAOYSA-N 313.426 4.047 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)C1CCCCC1 20483234 JJVONSUSYLPTHP-KRWDZBQOSA-N 303.446 4.252 0 40 DIAB O=C(/C=C/c1ccco1)Nc1ccc(N2CCCCC2)c(F)c1 21577918 JYCIPLRNDIISDX-VQHVLOKHSA-N 314.360 4.061 0 40 DIAB Cc1cccc(Nc2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)c1 24033851 XXVSCIOWQKMORQ-UHFFFAOYSA-N 322.393 4.032 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCc1c[nH]c3ccccc13)C2 39200069 GMTDNUUDMZFYMG-FPDPHYFHSA-N 324.468 4.432 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccccc2)no1 40090206 CVXLLJINIHQVIY-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)N1CCCc2ccc(F)cc21 40117128 JKRIDCSJFNLCDF-UHFFFAOYSA-N 323.289 4.438 0 40 DIAB O=C(Nc1ccccc1N1CCc2sccc2C1)c1ccco1 40548701 CNVUAPUFNWLUPT-UHFFFAOYSA-N 324.405 4.156 0 40 DIAB CCCCCC[C@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 48312363 NQQYXRYXKCZDGA-ZDUSSCGKSA-N 305.422 4.125 0 40 DIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccccc1)CCO3 57718804 UBDPGLUQTQARNB-UHFFFAOYSA-N 318.420 4.246 0 40 DIAB CCCOCc1ccccc1CNc1ncnc2sccc12 59392196 MJDXOAHHEUDHHG-UHFFFAOYSA-N 313.426 4.230 0 40 DIAB CCOc1cc2nccc(Oc3cccc(N)c3)c2cc1OCC 64875318 OJDNLLHVZLOMJU-UHFFFAOYSA-N 324.380 4.407 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 65474589 PUPQXHSAPMVSTR-HIGLLMRHSA-N 314.410 4.389 0 40 DIAB Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1Br 84123156 BGEHRXVGRZJABU-UHFFFAOYSA-N 321.964 4.352 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(F)c1 96170858 JKYBLRKESUNKPR-UHFFFAOYSA-N 314.238 4.368 0 40 DIAB CC(C)c1cc(Br)ccc1NC(=O)c1ccco1 103248326 AQFPKTMQVJMBMP-UHFFFAOYSA-N 308.175 4.418 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2s1 108899485 UNRQYLHXHJEGEC-AVGNSLFASA-N 300.427 4.370 0 40 DIAB CCOc1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 218968205 AVNUUSDGXFXGBX-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB O=C(Nc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 222601669 FYAIMZZPUWURPS-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223250116 QXIXNPCLKIMQND-HNNXBMFYSA-N 323.436 4.373 0 40 DIAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COCC(C)C)c1 224741665 OJWPFQXFLRHVIZ-OAHLLOKOSA-N 321.461 4.176 0 40 DIAB Nc1ccc(Nc2cccc3ccccc23)c(C(=O)NC2CC2)c1 225468063 XIMHEYZJGGVGNE-UHFFFAOYSA-N 317.392 4.058 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C 225629104 XLRFDHBCZNMJGU-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225731627 JDTRQPPXCPMFNG-SFHVURJKSA-N 307.434 4.316 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 409021191 YWDCAZJVDOGYTO-BIMARKKQSA-N 317.410 4.086 0 40 DIAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccco1)c1cccs1 585146788 PWBLCQGRHJEDLP-OFAQMXQXSA-N 323.417 4.303 0 40 DIAB Cc1ccc(S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 126392 CPVWKDRTENDVQJ-UHFFFAOYSA-N 315.221 4.276 0 40 DIAB CCN(CC)c1ccc(NC(=O)C(Cl)(Cl)Cl)c(C)c1 557435 LSWGPFALBMCWGF-UHFFFAOYSA-N 323.651 4.150 0 40 DIAB CC[C@H](c1ccc(OCCN)cc1)[C@@H](CC)c1ccc(O)cc1 1591274 OPCKIVCLTXGHRZ-VQTJNVASSA-N 313.441 4.417 0 40 DIAB COc1cc(C)ccc1OCC(=O)Nc1ccccc1C(C)C 3510648 DXAPBCNNAKENLN-UHFFFAOYSA-N 313.397 4.145 0 40 DIAB O=C(NCCc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 4727581 IDLAPUIGWUTOGH-UHFFFAOYSA-N 322.452 4.043 0 40 DIAB O[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 5105133 BVEXGQHOBZRFGZ-DJQAVYROSA-N 307.437 4.478 0 40 DIAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1 6406706 OMPOCRRANGERLL-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Nc1cccc(C(=O)O)c1Nc1ccccc1-c1ccccc1 6733699 ITZDTEMQHMKVFN-UHFFFAOYSA-N 304.349 4.378 0 40 DIAB COC(=O)c1cn(CCCOc2ccc(C)cc2)c2ccccc12 6966334 CAVBKSZKFQRWOM-UHFFFAOYSA-N 323.392 4.205 0 40 DIAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(C)C)CC2 9836658 HUHFOHWNMVLOFB-FQEVSTJZSA-N 311.425 4.060 0 40 DIAB O=C(Nc1ccccc1F)NC1CCC(C(F)(F)F)CC1 12747495 OKNBOAJPAOAHLF-UHFFFAOYSA-N 304.287 4.068 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)N1CC=C(c2ccccc2)CC1 12857474 JWJJAHKBFXRZSH-UHFFFAOYSA-N 316.404 4.406 0 40 DIAB CCCCNC(=S)c1nc2ccccc2nc1-c1ccccc1 16638888 OUSIEZXJXSNJSH-UHFFFAOYSA-N 321.449 4.362 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 19736496 YRFWOCGNARONSX-INIZCTEOSA-N 318.804 4.027 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)c(F)c1 20045265 KKOXENVPJWGQGM-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB CC(C)CCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136784 DYSGGLYKKNUWIT-UHFFFAOYSA-N 321.804 4.467 0 40 DIAB CCc1ccc(OCc2ccc(C(=O)NC3CCCC3)o2)cc1 27974153 XERJZOHLVHPUFQ-UHFFFAOYSA-N 313.397 4.093 0 40 DIAB CC(C)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28403693 NFVJWNVHDVGVGO-UHFFFAOYSA-N 306.768 4.063 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC(C(C)C)C(C)C 38756101 JAEALJSYZLDGJR-HNNXBMFYSA-N 311.853 4.294 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2c(F)cccc2F)cc1 45829513 YQEDKNVNTAXJAQ-UHFFFAOYSA-N 305.324 4.071 0 40 DIAB CCN(C(=O)Nc1ccncc1)[C@H](C)c1cc2ccccc2o1 56514202 HEVACTFWKMVGRK-CYBMUJFWSA-N 309.369 4.443 0 40 DIAB CCCCO[C@@H](C)C(=O)N(c1ccc(OC)cc1)[C@H](C)C1CC1 60306489 MVQNPLBVEHFPCI-CABCVRRESA-N 319.445 4.032 0 40 DIAB CCCC(C)(C)NC(=O)c1cnc(-c2ccccc2F)s1 65040927 NPNZPWDJVABNME-UHFFFAOYSA-N 306.406 4.258 0 40 DIAB COC(C)(C)C[C@@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C 72296864 FIROANKSKKMLIX-SNVBAGLBSA-N 323.820 4.328 0 40 DIAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 72333092 DVUVOAKMPNVVAS-ZWKOTPCHSA-N 322.387 4.180 0 40 DIAB CC[C@H](c1ccccc1)[S@](=O)Cc1cn2c(C)cccc2n1 95440963 JJIZLFSFXSABBK-VGSWGCGISA-N 312.438 4.043 0 40 DIAB Cc1nnc(SCc2nccs2)n1[C@@H]1CCC[C@H](C)C1 95442206 BFMXPDQAOFJSQE-CMPLNLGQSA-N 308.476 4.087 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCCC[C@H]1c1ccncc1 106830262 GUQLVRSEEAIURI-AQNXPRMDSA-N 320.436 4.329 0 40 DIAB CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@H]12 123389913 YMRXPTYHXAWRHM-YFYQJRQSSA-N 320.517 4.387 0 40 DIAB COc1cccc2cc(C(=O)Nc3ccc4ncccc4c3)oc12 130493983 HTUJAGMVBZLBFB-UHFFFAOYSA-N 318.332 4.242 0 40 DIAB O=C(c1ccoc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206879979 HYWJEOYHPFKWST-CQSZACIVSA-N 303.789 4.343 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 219741844 DPHXUOLXKRCHIV-SFHVURJKSA-N 309.409 4.281 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223207312 WBVZTJONLBNWSY-HOTGVXAUSA-N 323.436 4.128 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)cc1 224999582 RAESANGMOLSPLH-MRXNPFEDSA-N 311.425 4.285 0 40 DIAB COc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225103049 RGDBYDSPIRHMGM-OAHLLOKOSA-N 322.813 4.137 0 40 DIAB CSc1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225442173 PXXXTHLHMJACLY-UHFFFAOYSA-N 309.793 4.382 0 40 DIAB CCNC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476633 IWFPHDBAXLOECO-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225651860 OKPFLUGCEMMINV-SFHVURJKSA-N 307.434 4.174 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1)C1CC1 225722337 WDMWATKLJHXLGX-UGSOOPFHSA-N 305.418 4.008 0 40 DIAB CC(C)N1CCC(c2cccc(-n3cnc4ccccc43)n2)CC1 257274542 NLMOEZBLLRYSQS-UHFFFAOYSA-N 320.440 4.008 0 40 DIAB Cc1ccccc1CSCC(=O)NC1CCCCCCC1 408575578 MVDHKRDYBOXRAR-UHFFFAOYSA-N 305.487 4.457 0 40 DIAB COc1ccc(CSCC(=O)NC2CCCCCCC2)cc1 408577092 WKWSEMNDGRDVHS-UHFFFAOYSA-N 321.486 4.158 0 40 DIAB Brc1ccc([C@H]2C[C@H]2CN2CCCCCC2)cc1 575422431 FYRVMKCNYFMBEZ-GOEBONIOSA-N 308.263 4.429 0 40 DIAB CCCNCCC[C@@H](C)Nc1cc(OC)cc2c(C)ccnc12 1600860 BYIRFUCUJGFGLW-OAHLLOKOSA-N 315.461 4.132 0 40 DIAB O=C(CSc1ncnc2ccccc12)c1cccc(Cl)c1 3454528 MUYWXWMLPMZADK-UHFFFAOYSA-N 314.797 4.258 0 40 DIAB Cc1cccnc1NC(=O)c1cccc(OCc2ccccc2)c1 5571369 VJMFQZMAGFDFSP-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 6215356 JDEIYUJFCHFWFA-XVNBXDOJSA-N 315.756 4.029 0 40 DIAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 6626532 ZEIUHVACLXGHAH-AWEZNQCLSA-N 315.388 4.205 0 40 DIAB CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 6758632 RTCIDPUDFMGFTN-UHFFFAOYSA-N 308.381 4.436 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 6889111 IWXRGRPYQXWZQB-BJMVGYQFSA-N 320.219 4.366 0 40 DIAB c1ccc2sc(CSc3nnc(NC4CC4)s3)nc2c1 7577454 IYVHHCOEUAXUBJ-UHFFFAOYSA-N 320.468 4.014 0 40 DIAB CCc1csc(C)c1C(=O)Nc1cc(C(=O)O)ccc1Cl 8132247 BZTAZQGPXCPQFI-UHFFFAOYSA-N 323.801 4.223 0 40 DIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(Cl)cc1 8232526 SZLIJTMXUUDPID-CQSZACIVSA-N 320.845 4.177 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2Cl)c1 8480487 ZPNKMIIBQWYMIY-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(OC)cc1 8735123 WXTJBYMIJNATDD-KRWDZBQOSA-N 320.392 4.125 0 40 DIAB Cc1nc(C)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)s1 8746082 WKOIAMWKHXOUNC-UHFFFAOYSA-N 316.470 4.330 0 40 DIAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3)o2)cc1 8768017 GWMRFADMGAPGSH-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9059753 GTISJLVEZAMXEE-QGZVFWFLSA-N 311.429 4.197 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(F)c1 10694470 XRWOXLXVLLCDFD-FYJFLYSWSA-N 301.386 4.046 0 40 DIAB COc1ccc(CN(C(=O)Nc2ccc(C)cc2)C2CC2)cc1 12765807 AIGAGQSSQCCTIF-UHFFFAOYSA-N 310.397 4.200 0 40 DIAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)/C(=C/O)C[C@@]43C)[C@@H]1CC[C@@H]2O 13408313 DKCLFTBKKHWBQS-SZPLHBNDSA-N 318.457 4.011 0 40 DIAB CC(C)c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 13938491 GQYXOVRYCGYMCE-UHFFFAOYSA-N 309.475 4.201 0 40 DIAB COc1ccc2c(c1)C=C(C(=O)Nc1cc(C)ccc1C)C=CO2 15838752 MCHLVGQSKIQPFI-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB Cc1ccc2c(CC(=O)N(C)Cc3ccsc3)coc2c1C 17805764 AAQOLPDZSKAPIC-UHFFFAOYSA-N 313.422 4.312 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C 22002611 VFCCQWKQJNUPCX-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(C)c1 29483188 BKJFUXACLXWWMG-LJQANCHMSA-N 322.452 4.170 0 40 DIAB CC(=O)c1c(C)oc(C)c1CSCc1cc(C(=O)O)oc1C 32222152 AGXFBQUTSOVRMP-UHFFFAOYSA-N 322.382 4.132 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)s1 32930837 UFPOFZFDUAGCEX-CYBMUJFWSA-N 303.427 4.335 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@H]2C[C@H]2C)n1 32986013 OUMKWRGWMLDUEX-SKDRFNHKSA-N 311.410 4.194 0 40 DIAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1C(=O)O 44749832 ALCSUODUVSQMSC-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCCCC2)cc1 44947320 BFFCZSJHIOZAAP-SFHVURJKSA-N 303.446 4.479 0 40 DIAB CCCn1cnc2c(-c3cccc(Cl)c3)csc2c1=O 48985698 RBQNUTHBJVLTAZ-UHFFFAOYSA-N 304.802 4.188 0 40 DIAB CCOCc1ccccc1NC(=O)N(CC)Cc1ccccc1 52468867 UVBPVPKBHQPEEP-UHFFFAOYSA-N 312.413 4.277 0 40 DIAB C[C@H](c1ccco1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 56181459 DKHZUOQMOUNDNU-CYBMUJFWSA-N 308.381 4.056 0 40 DIAB OC1=C(C2=NCCN2)CCC/C1=C\c1ccc(C(F)(F)F)cc1 62716114 MCQNSIRGWHAEBT-ZRDIBKRKSA-N 322.330 4.087 0 40 DIAB OCc1ccc(Cl)c(NCc2ncc(-c3cccs3)o2)c1 72912182 VCFLSXSYKDGGFF-UHFFFAOYSA-N 320.801 4.161 0 40 DIAB CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C 90886637 ZHENVOOVVMCWIS-DIFFPNOSSA-N 315.417 4.052 0 40 DIAB Cc1c(C(=O)N2CCCCC[C@@H]2CC(C)C)cnn1C(C)C 92467477 YCWLMTHRHBFDCY-MRXNPFEDSA-N 305.466 4.203 0 40 DIAB Cc1noc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2occc21 96011997 VRXGLLZLEAOWBL-HNNXBMFYSA-N 322.364 4.050 0 40 DIAB Cc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1C 96586332 LOVKNLAARQJMRI-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB O=C1Nc2ccccc2S/C1=C/Nc1cccc(Cl)c1 100404418 JUATYUIPUIQTHK-NTEUORMPSA-N 302.786 4.338 0 40 DIAB O=C(O)[C@@](O)(C1CCCCC1)[C@@H]1CC[C@@H]2CC[C@H]3CCC[C@H]1[C@H]23 104133088 FTUOSGAHGSJYBU-VODSWOITSA-N 320.473 4.235 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225797651 BAJVPXMSQCGROT-IBGZPJMESA-N 315.413 4.382 0 40 DIAB COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCCC[C@H]12 409190806 WJKRRMCGNAAENP-MDASCCDHSA-N 313.372 4.469 0 40 DIAB O=c1oc2ccccc2c(Nc2ccccc2)c1CN1CCCC1 272743 UKZIIUVGIXOPDF-UHFFFAOYSA-N 320.392 4.132 0 40 DIAB O=c1c2ccc(F)cc2sn1-c1ccc(Cl)c(Cl)c1 1430598 YUGPGRJZHXNJSK-UHFFFAOYSA-N 314.168 4.498 0 40 DIAB Cc1c2ccccc2nc(CSc2ccc(Cl)cc2)[n+]1[O-] 1682174 MFNGIERHPDNELB-UHFFFAOYSA-N 316.813 4.122 0 40 DIAB COc1ccc(-c2c(C)[nH]c(C)c2C(=O)OC(C)(C)C)cc1 3058449 JORKVCQSZMZZSO-UHFFFAOYSA-N 301.386 4.262 0 40 DIAB Cc1ccc(CNc2nc(C)nc3sc4c(c23)CCC4)cc1 3250964 JVIJQIPKGUVYES-UHFFFAOYSA-N 309.438 4.409 0 40 DIAB CC(=O)c1ccccc1NC(=O)CSc1cc(C)ccc1C 3499221 PKTWYHSYPUIVFF-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB CCc1ccc(NCc2ccc(Oc3cnccn3)cc2)cc1 4054796 LOUXYAXMORKFGN-UHFFFAOYSA-N 305.381 4.443 0 40 DIAB C(CCCCCN1CCCCC1)CCCCCN1CCOCC1 4428721 GXFVROAFTQHKOO-UHFFFAOYSA-N 324.553 4.315 0 40 DIAB Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)n1C 6451964 DYBYZRFBTVZNHS-UHFFFAOYSA-N 313.401 4.222 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2F)c(C)c1 8369787 KVISALFPNWERHS-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c1 9816882 JYOSWKGXAVJMJH-SFHVURJKSA-N 313.397 4.190 0 40 DIAB O=C(NCc1cccc(Cl)c1)Nc1nc2ccccc2s1 10037279 YSMZQLHJMYBVAG-UHFFFAOYSA-N 317.801 4.271 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)s1 10221454 RPNMHTKPCXOBOE-UHFFFAOYSA-N 305.830 4.253 0 40 DIAB O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)cc2)on1 11915687 ZLODVDSTGFTZOQ-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB COc1ccc(Br)cc1CNc1ccc(F)cc1 13945873 LALHMMXTUMYCNU-UHFFFAOYSA-N 310.166 4.209 0 40 DIAB COc1c2ccoc2nc2c(OC)c(OCC=C(C)C)ccc12 15222580 HEMHXTACMCBNFZ-UHFFFAOYSA-N 313.353 4.343 0 40 DIAB biogenic,in-vitro CN(Cc1cccs1)C(=O)NCC12CC3CC(CC(C3)C1)C2 17113811 CALRUPXVMKRMPJ-UHFFFAOYSA-N 318.486 4.106 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(F)cccc1F 20112518 ZVKRRAFNGJBDGY-HNNXBMFYSA-N 305.324 4.069 0 40 DIAB Cc1c(NC(=O)c2cc(Cl)ccc2Cl)cccc1C(=O)O 20138403 MTUQUZMEBHVKBC-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Cl)c1C 20455756 JDQBYQQCMMZCSB-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1occc1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 21557631 QDLIUYKCXHHDJP-SNVBAGLBSA-N 300.383 4.031 0 40 DIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccs1 25283417 IQEOLXJJNDOIQC-QGZVFWFLSA-N 307.418 4.462 0 40 DIAB O=C(Nc1ccncc1)c1cccc(OCc2ccc(F)cc2)c1 32726004 IIEGLNRQGISJKQ-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@@H]1C 36698004 IJHWKASHRDXJMU-ZDUSSCGKSA-N 318.376 4.241 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@H](CO)c1ccccc1-2 38304716 CNBJGFZEJYGYLZ-QGZVFWFLSA-N 311.381 4.138 0 40 DIAB Cc1nc2ccc(NC(=O)N3CCc4ccccc4C3)cc2s1 40103279 XJSXMFAYOZFGEE-UHFFFAOYSA-N 323.421 4.195 0 40 DIAB Cc1cc(C)c([C@@H](O)c2cccc(Br)c2)c(C)c1 40249248 ZNFKRFXCGAKOGC-INIZCTEOSA-N 305.215 4.456 0 40 DIAB O=C(Nc1ccc(O)cc1Cl)C12CC3CC(CC(C3)C1)C2 70334133 GKVNJFIUDDROFL-UHFFFAOYSA-N 305.805 4.201 0 40 DIAB Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)c(C)o1 70640395 GNKMCAMWCWNGIL-UHFFFAOYSA-N 319.404 4.345 0 40 DIAB Cn1c([C@H](NCc2ccco2)c2ccccc2)nc2ccccc21 71792618 HEGUEMNSTXOVNC-LJQANCHMSA-N 317.392 4.046 0 40 DIAB Cc1ccccc1C(=O)NCC[C@@H](O)c1cccc2ccccc12 77116330 VYNJPUWWWFNBJB-HXUWFJFHSA-N 319.404 4.002 0 40 DIAB C[C@H](N[C@@H](C)c1cc(Br)ccc1F)c1ccncc1 95419209 YOGYUVNSDATQLN-QWRGUYRKSA-N 323.209 4.395 0 40 DIAB C[C@@H](c1cccs1)[S@@](=O)Cc1ncc(-c2cccs2)o1 96461115 XXGHXQXQOAEVAO-WVDJIFEKSA-N 323.464 4.475 0 40 DIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(C)C 96659302 NZXSITBKJWWDNE-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2C)cc1 113969054 XHXGJQATTLXWLC-IBGZPJMESA-N 311.425 4.031 0 40 DIAB COc1ccc(C(=O)CCc2cn(C)c3ccccc23)cc1F 199731749 RWJNUZKTQNMACX-UHFFFAOYSA-N 311.356 4.142 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223217378 DDNHFOKESJSAMX-HOTGVXAUSA-N 323.436 4.128 0 40 DIAB Cc1ccc(C)c(OCCNC(=O)c2cc(C)c(C)cc2C)c1 224052697 AMYFBNNSLRQWBQ-UHFFFAOYSA-N 311.425 4.038 0 40 DIAB CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCC1 225706162 HLVBNRPRSGNNQB-UHFFFAOYSA-N 305.418 4.009 0 40 DIAB O=C(Cc1cccs1)Nc1nc(-c2ccccc2)cs1 266519 FAPGLCHVGWEYQH-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB Cc1ccc(C)c(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c1 325405 OUNNXVGJKQENSL-MHWRWJLKSA-N 311.768 4.301 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 365121 LVCCZHLUKTXYPL-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1ccc(-c2nc3ccccc3n2CC(C)C)cc1OC 572620 APPDLWZQRRBXPH-UHFFFAOYSA-N 310.397 4.377 0 40 DIAB CCC(=O)Oc1ccc(-c2ccccc2)cc1Br 1687408 QMLMMBSOSDLSJX-UHFFFAOYSA-N 305.171 4.432 0 40 DIAB CC(C)(C)c1cc(NC(=O)C2(c3ccccc3)CCCC2)no1 2512706 ZTFAHGMSDXDHIV-UHFFFAOYSA-N 312.413 4.423 0 40 DIAB C[C@H]1CCc2c(C(=O)NCc3ccc(Cl)cc3)csc2C1 3417846 HIQFHWFTTIXHCA-NSHDSACASA-N 319.857 4.456 0 40 DIAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 6287960 VWHWIJPFYREZBH-AWEZNQCLSA-N 323.367 4.235 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2[C@@H]2CCCC[C@@H]2C)cc1 6680805 CHCRBWOCGQHFCL-SMDDNHRTSA-N 303.431 4.367 0 40 DIAB Cc1c(C(=O)N[C@H](C)c2ccccn2)oc2c(Cl)cccc12 7979415 KQTSHHSHZRTXII-LLVKDONJSA-N 314.772 4.281 0 40 DIAB O=C(C[C@H]1C=CCC1)N[C@H](c1ccc(F)cc1)c1cccs1 9155919 JKGXNPJKDJRKBW-SCLBCKFNSA-N 315.413 4.449 0 40 DIAB Cc1nnc(SCC(=O)c2ccc3ccccc3c2)n1C1CC1 9448177 OXFBQDFXXMQKGY-UHFFFAOYSA-N 323.421 4.050 0 40 DIAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccco1 10120060 BJCBNFYRSLMBTL-UHFFFAOYSA-N 318.332 4.264 0 40 DIAB CCn1/c(=N\C(=O)C2CCCCC2)sc2cccc(Cl)c21 12180925 TVASHAANGCUVCP-FBMGVBCBSA-N 322.861 4.384 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1 12635084 NWFLEUKRCKWXQN-FVQBIDKESA-N 305.487 4.336 0 40 DIAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(Cl)c(Cl)c1 12795823 RFJFOKVWQLPMIX-AOOOYVTPSA-N 316.232 4.293 0 40 DIAB Fc1cccc(CSc2nc(/C=C/c3ccccc3)n[nH]2)c1 12834823 YTFRSTGDDQIKPL-MDZDMXLPSA-N 311.385 4.407 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 13004886 INNBUMMWGMJGSG-IYBDPMFKSA-N 321.420 4.036 0 40 DIAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 14388837 ZCLGINBAROEBFU-CYBMUJFWSA-N 320.392 4.449 0 40 DIAB O=c1c2ccccc2[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1 15251657 KLVHFVLHPITVFM-UHFFFAOYSA-N 323.204 4.355 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)C(C)C 17032333 AKAXVSGREFAOTG-LJQANCHMSA-N 311.425 4.281 0 40 DIAB O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2ccccc21 40086751 NFOCZHYSLSYJRX-UHFFFAOYSA-N 324.767 4.198 0 40 DIAB CCN(C(=O)Nc1ccccc1OC)[C@H](C)c1cccc(O)c1 40556388 QESRAJAOVRIZPJ-CYBMUJFWSA-N 314.385 4.016 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)o1 45042728 WQLUJHWHKKFQOR-CYBMUJFWSA-N 317.433 4.154 0 40 DIAB Cc1cc(C)c(NC(=O)/C=C/c2cccc(Cl)c2)c(C)n1 48344457 NGKAGZXYCHWGEC-BQYQJAHWSA-N 300.789 4.312 0 40 DIAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCc2ccccc21 49027568 MYHYDFXCGMYQHL-UHFFFAOYSA-N 306.340 4.024 0 40 DIAB FC(F)(F)Oc1c(Br)cccc1Br 49588075 ZJYGODDLQKBEMB-UHFFFAOYSA-N 319.902 4.110 0 40 DIAB COCCN(C(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1 72270829 TVEKDEIKDKNOAJ-UHFFFAOYSA-N 310.825 4.071 0 40 DIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78876900 FFVPECXZABNKMA-STQMWFEESA-N 324.302 4.052 0 40 DIAB CC(C)[C@H]1SCC(O)=Nc2c1cnn2-c1ccc(F)cc1 79494029 IUFFEIMDMZMMFZ-CQSZACIVSA-N 305.378 4.043 0 40 DIAB CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1nccs1 83869856 AOMGBESPHNBYHF-CVEARBPZSA-N 308.406 4.063 0 40 DIAB CCc1nc(C)c([C@H](C)N(C)Cc2ccccc2OC)s1 93612581 CHYIXMQTIMZNMO-ZDUSSCGKSA-N 304.459 4.216 0 40 DIAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(C(F)(F)F)cc1 100449837 VVCQMWSCLCCYFG-KLPPZKSPSA-N 314.303 4.169 0 40 DIAB CN(C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C1CCCCC1 100986546 XAQRPUPXTSZTEY-JDPPGYRCSA-N 309.881 4.355 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 104647588 ILQLITDRYFHAGM-FFZOFVMBSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro CCCC[Sn](O)(CCCC)CCCC 196537989 GMVHICBNQJYKSP-UHFFFAOYSA-M 307.066 4.325 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1C 223245303 RQMLQHMDMHLVPI-INIZCTEOSA-N 323.436 4.048 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225631138 DNOCMIHYBIDGPY-INIZCTEOSA-N 307.437 4.317 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1 225649918 RPIMWKMLYUNHIK-QGZVFWFLSA-N 311.425 4.118 0 40 DIAB FC(F)(F)Oc1ccc(Nc2nc3cnccc3s2)cc1 2087096715 QXSVHLNJKYSWKR-UHFFFAOYSA-N 311.288 4.334 0 40 DIAB CC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 60052 FDSVPQHFCDZSAD-UHFFFAOYSA-N 309.148 4.415 0 40 DIAB COc1ccc(Nc2ncnc3sc(C)c(C)c23)c(OC)c1 215470 NHSCZAJPRVPCTG-UHFFFAOYSA-N 315.398 4.069 0 40 DIAB Fc1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 240180 RXLIFGJZADVLII-INIZCTEOSA-N 315.417 4.145 0 40 DIAB COc1ccccc1[C@H]1Nc2c(C)cccc2-c2cc(C)nn21 818104 LJEDXARQLGGUKX-IBGZPJMESA-N 305.381 4.148 0 40 DIAB Nc1c(-c2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 2508451 GHVKRXZMWKJQDK-UHFFFAOYSA-N 303.287 4.140 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 6396961 RRCOTOMNWOHNSQ-UHFFFAOYSA-N 310.397 4.376 0 40 DIAB CSc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1C 6434045 TYFFMLZZWOCUNF-UHFFFAOYSA-N 316.451 4.001 0 40 DIAB C[C@H]1C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6932791 AXSURGHMUQGRLH-PWERUZPZSA-N 318.457 4.140 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(Cl)c1 7403954 QWOZKKSXTGSSNA-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cn1 8077922 IAZSPPBSYQNXPM-MRXNPFEDSA-N 318.804 4.122 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 8552380 NVUUMOOKVFONOM-AXGBLAMUSA-N 300.442 4.333 0 40 DIAB biogenic CC(C)(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 9692066 DMHBUROSAFVREA-UHFFFAOYSA-N 324.449 4.438 0 40 DIAB O=C(NC1CC1)[C@H](SCc1ccccc1)c1ccc(F)cc1 12262184 WJTCMYVQNOWCGP-QGZVFWFLSA-N 315.413 4.079 0 40 DIAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccccc3Cl)cc12 12493093 HCPWBRVWJZNERC-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccccc1 14258257 PZDCHGUUAAJBAK-UHFFFAOYSA-N 323.436 4.430 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@@H]1[C@H]2CCC[C@@H]2[C@H]1c1ccccc1 19083510 DWSNZJJRBMJQGC-INDMIFKZSA-N 323.484 4.379 0 40 DIAB Cc1cccn2c(NC(=O)c3ccoc3)c(-c3ccccc3)nc12 26862182 GELYJXMUOPDUML-UHFFFAOYSA-N 317.348 4.155 0 40 DIAB CCn1c(C)c(C)c2cc(C(=O)Nc3ncc(C)s3)ccc21 27981567 FAGLCAGEKKKPFD-UHFFFAOYSA-N 313.426 4.295 0 40 DIAB c1ccc(-c2c[nH]c(SCc3noc(-c4ccco4)n3)n2)cc1 31302219 WAZGLTOLXDGZIA-UHFFFAOYSA-N 324.365 4.012 0 40 DIAB Cc1cccnc1NC(=O)c1cc(C(C)C)nc2ccccc12 32072253 RBKURTIBCQSEIR-UHFFFAOYSA-N 305.381 4.314 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C 38756237 PHYQNRHDBDDJGD-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CCCc1ccc([C@@H](O)c2ccccc2Br)cc1 40255780 YSWSETUYGBUBKZ-MRXNPFEDSA-N 305.215 4.483 0 40 DIAB Cc1ccc(NC(=O)CCSCc2ccccn2)c(Cl)c1 48210477 LKLSAFLQVPAWJC-UHFFFAOYSA-N 320.845 4.305 0 40 DIAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(Oc2ccccc2)c1 49549247 QUGFGIACMUJPKU-INIZCTEOSA-N 319.364 4.336 0 40 DIAB Cc1ccc(-c2nc(C[S@](=O)Cc3ccccc3)co2)cc1 58067560 AZWOYBFFXWPZAQ-QFIPXVFZSA-N 311.406 4.099 0 40 DIAB CCN(C(=O)N[C@H](C)CCc1ccc(OC)cc1)[C@@H](C)C(C)C 58168965 DOAXDFABNOUSBZ-CVEARBPZSA-N 320.477 4.092 0 40 DIAB Cc1nc(NC(=O)N(Cc2ccccc2)CC2CCC2)oc1C 65827161 XPDRFTJWSFJSRC-UHFFFAOYSA-N 313.401 4.126 0 40 DIAB CC(C)n1cc(CCC(=O)Nc2ccccn2)c2ccccc21 72403282 JDUMCKQPJKDQJQ-UHFFFAOYSA-N 307.397 4.189 0 40 DIAB CCSc1cccc(NC(=O)N[C@H](C)c2cccnc2)c1 73991049 OGXHTSPPWWMDKU-GFCCVEGCSA-N 301.415 4.076 0 40 DIAB O=C(Nc1c(Cl)cccc1Cl)c1ccnc2[nH]ccc12 80443341 IUFNQCWDZSJHTB-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB CN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1 83859065 LDTHKZILLWWZPQ-PKNBQFBNSA-N 315.413 4.436 0 40 DIAB CC(C)c1cccc(CSCC(=O)N2[C@H](C)CCC[C@H]2C)n1 95980006 BVRWMKWMKWINPY-HUUCEWRRSA-N 320.502 4.228 0 40 DIAB CC[C@@](CNC(=O)c1ccc(Cl)s1)(OC)c1ccccc1 96123698 TYGCNZXBNFMRKL-INIZCTEOSA-N 323.845 4.083 0 40 DIAB O=C(Nc1cccc(CN2CCCCC2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 109029264 LWCXTMKXMIDPQH-VDZJLULYSA-N 312.457 4.047 0 40 DIAB COc1ccc(C)cc1[C@@H](C)Nc1cccc(C[S@@](C)=O)c1 195552453 FFQMDSAUTCKVOO-JLCFBVMHSA-N 317.454 4.055 0 40 DIAB Cc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1C 225033475 ZWVZJUZGERCFJM-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC(C)c1ccc(NC(=S)NCc2cccc(F)c2)cc1 225836471 PGFTWCGSRBLARU-UHFFFAOYSA-N 302.418 4.436 0 40 DIAB CCCCCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226352380 WJQQFROCHOPEGD-UHFFFAOYSA-N 315.369 4.472 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2CCCN3CCCC[C@@H]23)C1 253486959 BMRXTFOKVYWSJF-DOADOZAASA-N 304.522 4.152 0 40 DIAB CCOC(=O)c1nc(Nc2ccc(C)cc2C)c2ccccc2n1 145900 PBVAEQNUOHTHQV-UHFFFAOYSA-N 321.380 4.167 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CC[C@H](c2ccccc2)C1 263488 NBBKDVBHIMTHOJ-AWEZNQCLSA-N 300.789 4.361 0 40 DIAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1 1856210 XOQYOZDMJTYGHL-ZDUSSCGKSA-N 317.458 4.345 0 40 DIAB Cc1sc2ncnc(Oc3ccc(-c4nnco4)cc3)c2c1C 2627284 VXBGSNFDYILIKI-UHFFFAOYSA-N 324.365 4.150 0 40 DIAB Cc1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 2662611 OAKLNLXBIFSNLR-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1C 2726657 BKORKZISOXSUJC-UHFFFAOYSA-N 319.404 4.363 0 40 DIAB aggregator O=C(NCSc1nc2ccccc2o1)c1cc2ccccc2o1 3174702 HTGUURGTFAKZEZ-UHFFFAOYSA-N 324.361 4.054 0 40 DIAB CC[C@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3242607 WEZJIZUZNKTJFG-YGRGUWMTSA-N 303.402 4.343 0 40 DIAB CC1(C)Cc2cccc(OC(=O)c3ccccc3Cl)c2O1 3258414 LTLSBBWFSBTHKW-UHFFFAOYSA-N 302.757 4.273 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 3396357 ZJMVZHCJOBDEGI-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC(=O)O[C@]1(c2ccccc2)CCN(C2CCCCC2)C[C@H]1C 4413593 YHAZEJUWPWABOU-OXQOHEQNSA-N 315.457 4.120 0 40 DIAB COc1ccc(CCNCc2ccc(C(C)C)cc2)cc1OC 4700428 YYDJWBFVFMPXMZ-UHFFFAOYSA-N 313.441 4.160 0 40 DIAB CN[P@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2 4966324 DBUAJLPJJLNVRX-JIOABUTRSA-N 321.357 4.378 0 40 DIAB COC(=O)CN1c2ccccc2Sc2ccc(Cl)cc21 5393812 CKEVGZFFSXQDDM-UHFFFAOYSA-N 305.786 4.116 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1C 8050263 IOCDLGJZTGERDU-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Nc1c(-c2ccccc2)c(-c2ccco2)nn1-c1ccccc1 8730745 ZEIXPMLXGHDKNU-UHFFFAOYSA-N 301.349 4.382 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]2CCCC[C@H]21 12569362 SVTFMRYDPCZBSH-WMLDXEAASA-N 310.397 4.136 0 40 DIAB Cc1[nH]c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2c1C 12890236 RGQXBRAQPIBILK-SFHVURJKSA-N 304.393 4.202 0 40 DIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccccc1 14124957 OVUQKCJWFSPMCN-GFCCVEGCSA-N 323.421 4.005 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3cc(C)oc3C)sc2c1 14861813 PQEMUXFKIQIHLZ-UHFFFAOYSA-N 300.383 4.375 0 40 DIAB COc1ccc(OC)c(NC(=O)Cc2ccc3ccccc3c2)c1 15083120 MRVXLMNAAVAWLG-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB COc1cc2ccccc2cc1C(=O)N1CCCc2ccccc21 16023064 XIJNDIHCUDXOIE-UHFFFAOYSA-N 317.388 4.441 0 40 DIAB C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(F)cc1 16316025 XWSVWPIJNYJYFB-VIFPVBQESA-N 310.344 4.152 0 40 DIAB CCCCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C 19907603 BZTJMQNXRYPGBG-WTLGNFPFSA-N 314.473 4.355 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 19931412 CCMWITCSIJMVPL-GUYCJALGSA-N 317.816 4.375 0 40 DIAB C[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)c2ccccc2S1 24585472 DYMYZRPSPMEQST-LLVKDONJSA-N 319.376 4.496 0 40 DIAB CC[C@@H]1CCc2sc(C(=O)Nc3ccccc3O)cc2C1 24990916 LWTABZUISJOLIT-LLVKDONJSA-N 301.411 4.221 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 30848602 WQYGTSCFKFGOLA-CQSZACIVSA-N 317.816 4.074 0 40 DIAB c1ccc2oc([C@H]3CCCN(c4nc5ccccc5o4)C3)nc2c1 51993295 GCNBXLSLYJUHCM-ZDUSSCGKSA-N 319.364 4.353 0 40 DIAB CCOc1ccc(-c2cc3c(=S)[nH]ccn3n2)cc1Cl 57352176 AUQHPFVPVDPALC-UHFFFAOYSA-N 305.790 4.111 0 40 DIAB CN(Cc1cccnc1)C(=O)Nc1cc(Cl)ccc1Cl 65476188 RVEDBDOWKKPHCQ-UHFFFAOYSA-N 310.184 4.052 0 40 DIAB Cc1ccccc1OCc1ccc(Br)cc1C(=O)O 72209154 FSZOZYAQSOYXDI-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB CCCCOc1cc2oc(C(=O)O)cc2cc1Br 72219745 KSDYFWZGXQGVON-UHFFFAOYSA-N 313.147 4.072 0 40 DIAB Cc1cc(OCc2ccccc2)ncc1[C@@H](N)c1ccccc1 72223433 ZTQAODVPWMLSGE-FQEVSTJZSA-N 304.393 4.017 0 40 DIAB CC[C@H](C)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 72295645 OGEYYAWOJTXNLI-WCQYABFASA-N 319.430 4.012 0 40 DIAB O=C(c1ccn(-c2ccccc2)n1)N1CCC2(CCCCCC2)C1 75105941 RDYYQSHWLGWKTG-UHFFFAOYSA-N 323.440 4.059 0 40 DIAB O=C(NC1CC=CC1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 94040088 BGTJNAKBGBWYEM-HNNXBMFYSA-N 324.346 4.174 0 40 DIAB Cc1ccc(Cl)cc1[C@@H](O)c1cccc(Br)c1 95730261 GIYQIEOSWKTKOR-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CC1(C)CCc2ccccc2[C@H]1NC1CCN(CC(F)F)CC1 97033757 NWXJMWPDVBVHIW-GOSISDBHSA-N 322.443 4.019 0 40 DIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@@H](c4c3ccc3ccccc43)[C@H]2O1 104147669 CALDUTDXAKUVKJ-VNTMZGSJSA-N 314.340 4.335 0 40 DIAB C[C@@H](O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118931195 AGHPIIDSYAFAJL-SWVQUTDYSA-N 316.485 4.227 0 40 DIAB COc1ccccc1NC(=O)CCc1cccc2ccccc12 222659565 MOLOCCDRIIXRHI-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223246110 CYAWPFYNYHJYJM-QRWLVFNGSA-N 323.436 4.210 0 40 DIAB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1C 225380091 IAOPNZLANPPBDH-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB CCCOC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 225423712 XMSHNSYHDZCMBK-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225469196 JWPOPIIYIVVDEQ-CQSZACIVSA-N 314.454 4.441 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(Cl)c1 225621354 DLCMFHXTEBVPRH-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB CC(C)[C@H]1CCCC[C@@H]1NC(=S)c1nc(Cl)c(Cl)[nH]1 255188953 MTYNSTGPOLPLHR-BDAKNGLRSA-N 320.289 4.196 0 40 DIAB NC(=O)/C=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 361634190 SAZFUKQRRGTRBC-ALCCZGGFSA-N 322.191 4.071 0 40 DIAB Cc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)c(C)s1 408579535 HKYMORTYPVJQII-UHFFFAOYSA-N 324.405 4.385 0 40 DIAB Clc1cnccc1N1CCC(c2ccc3cccnc3n2)CC1 656214819 FXPAULVIBVQICU-UHFFFAOYSA-N 324.815 4.062 0 40 DIAB Cc1nc2nc(-c3ccccc3)c(-c3ccccc3)n2nc1C 34435 SFRNCVHXGZBFDT-UHFFFAOYSA-N 300.365 4.075 0 40 DIAB CCN1C(=O)S/C(=C\c2cn(C(C)C)c3ccccc23)C1=O 981991 NIAZWDOFWZORNI-DHDCSXOGSA-N 314.410 4.278 0 40 DIAB Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 1016762 PEHWSVYLPGQADN-UHFFFAOYSA-N 316.339 4.080 0 40 DIAB CCCCN(CC)c1nc(-c2ccncc2)nc2ccccc12 2251028 VRBWSSVDTNUOLY-UHFFFAOYSA-N 306.413 4.318 0 40 DIAB O=C(Oc1ccc2ccccc2c1)c1cc2ccccc2oc1=O 4426530 IMXHBXKFFSSJEM-UHFFFAOYSA-N 316.312 4.165 0 40 DIAB O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)CCC2 5033681 VDEXYLYHOWVJEC-UHFFFAOYSA-N 309.390 4.292 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 5636819 SPECOMZCFDFRKW-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB CCCCCCNc1ncnc2ccc(Br)cc12 5645653 HFZUBDMUAIOYEQ-UHFFFAOYSA-N 308.223 4.385 0 40 DIAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)o1 6279018 YTNNXWXSTHMLGV-UHFFFAOYSA-N 320.392 4.476 0 40 DIAB Cc1ccc2cc(CNCCCOC(C)C)c(Cl)nc2c1 6784926 BMKZOWKNXIKRED-UHFFFAOYSA-N 306.837 4.101 0 40 DIAB C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6930828 AXSURGHMUQGRLH-UYQXXONUSA-N 318.457 4.140 0 40 DIAB biogenic CCOc1ccc(NC(=O)CSCc2cccc(F)c2)cc1 7145950 SRHXPCNIJFUVSI-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB Cc1cc(OCCCC(=O)NC2CCCCC2)ccc1Cl 13039220 WIADXYWZEVFCKN-UHFFFAOYSA-N 309.837 4.256 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 13689008 ZXYUMCAUHTXDAR-MRXNPFEDSA-N 319.404 4.266 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710717 XPLSECNVLGDULX-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NC(C1CC1)C1CC1 14199381 MEKASPBEACIPEI-UHFFFAOYSA-N 305.421 4.201 0 40 DIAB Cc1cccc(C)c1NC(=S)NCCc1c[nH]c2ccccc12 16237951 QRQZVEPWZZHYAI-UHFFFAOYSA-N 323.465 4.314 0 40 DIAB CC1(C)C[C@@]2(CCCN(C(=S)Nc3ccccc3)C2)CCO1 17729247 NRMFQEXWQDJACQ-GOSISDBHSA-N 318.486 4.055 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC(C)(C)C 22533446 CIWNIHBCIBBHKL-INIZCTEOSA-N 323.502 4.109 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(Cl)nc(Cl)c1 24027583 DQPIEPIXIBFLKJ-HNNXBMFYSA-N 321.207 4.270 0 40 DIAB C[C@@H](Sc1ccc(F)c(F)c1)c1nc(-c2ccco2)no1 29740030 CUNIWANLPKYEML-MRVPVSSYSA-N 308.309 4.461 0 40 DIAB O=C(Cc1ccccc1F)Nc1ccc2oc(C3CC3)nc2c1 32818713 RVOISTHCOJWEQD-UHFFFAOYSA-N 310.328 4.026 0 40 DIAB CCCCN(C(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 32994322 ALJYFBQTNDQZNC-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N(C)C2CCCC2)cc(C)c1Cl 44902647 DCJZALRTLHXMQL-ZDUSSCGKSA-N 309.837 4.125 0 40 DIAB S=C(NCCOc1cccc2ccccc12)Nc1ccccc1 54972284 DLXDCMBIULBNJR-UHFFFAOYSA-N 322.433 4.205 0 40 DIAB Cc1noc(C)c1NC(=O)c1ccc(-c2ccccc2F)s1 58023049 PTUFHMHNVWTKLQ-UHFFFAOYSA-N 316.357 4.411 0 40 DIAB Cc1cc([C@H](N)c2ccccc2)cnc1NCc1ccccc1 72222339 OXQAZRIHOANUQV-LJQANCHMSA-N 303.409 4.050 0 40 DIAB Cc1ccc(CNC(=O)c2cc(OC(C)C)c3ccoc3c2)o1 72240211 CPRRBUZLDFRFJH-UHFFFAOYSA-N 313.353 4.051 0 40 DIAB Cc1cnc([C@@H](NC(=O)C[C@H](C)c2ccccc2)C2CC2)s1 72296843 ONIDNQYZXILXOI-SJCJKPOMSA-N 314.454 4.213 0 40 DIAB Cc1nc(C)c(C(=O)O[C@H](c2ccccc2)c2ccccn2)s1 74093641 DVSYHZHPPDGHBD-MRXNPFEDSA-N 324.405 4.101 0 40 DIAB CCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC 78551740 RSMNHOAHJWIZRD-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C)c1nccs1 78602695 QXXLXGNVEDOFPH-GFCCVEGCSA-N 319.430 4.121 0 40 DIAB CC(=O)c1ccc(SCC(=O)OC2CCCCCC2)c(F)c1 83843704 KKPHQEGALLMBJF-UHFFFAOYSA-N 324.417 4.386 0 40 DIAB CCc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)C(C)C)cc1 89284815 MKWQBALJZRHVHS-QGZVFWFLSA-N 310.397 4.176 0 40 DIAB Cc1cnc(CN[C@@H](C)c2ccc(Br)cc2)s1 95963811 KZRTZZPBSTZESE-JTQLQIEISA-N 311.248 4.065 0 40 DIAB C[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1 97370691 GGNFQJPVHIYTIO-GFCCVEGCSA-N 313.788 4.241 0 40 DIAB C/C(=C\C(=O)N(C)Cc1c(C)noc1C)c1ccccc1Cl 103866600 MQBLGZWZPNQQFU-PKNBQFBNSA-N 318.804 4.007 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 118934163 UGIARLNNAPRCPF-ANGJRMEVSA-N 316.485 4.205 0 40 DIAB CCOc1cccc(NC(=S)NCCCc2ccccc2)c1 225385264 KGZMYVCDHRGNMQ-UHFFFAOYSA-N 314.454 4.005 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225387772 QRPRTARWEWAEQX-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1C 225896586 NUHIBGSFXSSULM-GOSISDBHSA-N 322.449 4.103 0 40 DIAB Cc1nnc(CN[C@H](Cc2ccccc2)c2ccc(C)c(C)c2)o1 390833277 FMDVHXFCYAJDJI-LJQANCHMSA-N 321.424 4.068 0 40 DIAB Cc1cc2ncn(-c3ncnc4sc(C)c(C)c34)c2cc1C 87719 XRWCDZRZKPXNSI-UHFFFAOYSA-N 308.410 4.264 0 40 DIAB CC[C@@H]1CCc2c(sc3ncnc(N4CCC(C)CC4)c23)C1 89230 MKEYDNJPUKCPJA-CYBMUJFWSA-N 315.486 4.443 0 40 DIAB Cc1cc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)no1 506041 QIFTZHYAUPKBTG-LJQANCHMSA-N 318.380 4.369 0 40 DIAB CC(=O)c1c(C)nc2ccccc2c1NC(=O)c1ccc(F)cc1 520411 PTRHSZQUXSZMOA-UHFFFAOYSA-N 322.339 4.137 0 40 DIAB Cc1ccnc(NC(=O)c2ccccc2Oc2ccccc2)c1 970799 QJHCMINUUTTYTD-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 3755254 SZBOOMYXDXCDSI-UHFFFAOYSA-N 303.720 4.255 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 4079544 TWXMDVGGDKBQMO-UHFFFAOYSA-N 316.426 4.061 0 40 DIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 4166433 KDPQTPZDVJHMET-MLYOOKFZSA-N 312.409 4.037 0 40 DIAB biogenic,in-vitro Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)c(C)c1 4479442 JPBWQAPMBZQWIP-PKNBQFBNSA-N 319.364 4.005 0 40 DIAB O=C(Oc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 4687188 WGQJRGAMAZXFMG-UHFFFAOYSA-N 307.393 4.357 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)cc1 7383280 ROTFWJPSRMUUEO-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB c1sc(NC[C@H]2CCCO2)nc1C12CC3CC(CC(C3)C1)C2 8133589 KITCCNKZQJEIDJ-GNFNDJEDSA-N 318.486 4.202 0 40 DIAB c1ccc(C(Sc2nc3ncccn3n2)c2ccccc2)cc1 10073683 JQRUZWDXQYSKQC-UHFFFAOYSA-N 318.405 4.006 0 40 DIAB CC(=O)Nc1ccc2oc(C(=O)c3ccc(C)cc3)c(C)c2c1 11865300 ZGWKIGBOYKTQJU-UHFFFAOYSA-N 307.349 4.239 0 40 DIAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)n1cnc2ccccc21 13283671 QVMMLGYLUZEXSU-UHFFFAOYSA-N 306.152 4.423 0 40 DIAB C[C@@H](NC(=O)Cc1ccccc1F)c1cccc2ccccc12 14602126 IAIDFIHAYOQREI-CQSZACIVSA-N 307.368 4.399 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c(C)c1 15693294 OHMAHJWYCYVOEX-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CCCOc1ccccc1NC(=O)Nc1ccccc1OC 16499582 BSYWLMLWPVEXGE-UHFFFAOYSA-N 300.358 4.128 0 40 DIAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cc2ccccc2o1 20139649 UPBNRUFFNAJLSO-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB Cc1ccccc1C(=O)NCCSCc1cccc(Cl)c1 20239999 NHTAPDWRGBZSEI-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB O=C(/C=C/c1ccco1)Nc1ccccc1N1CCCCCC1 22828964 WZHXLELXMHRFAO-VAWYXSNFSA-N 310.397 4.312 0 40 DIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3ccoc3C)c2C)cc1 27922091 YHFZCPLOPDNYBO-UHFFFAOYSA-N 323.396 4.010 0 40 DIAB Cc1ccc(Cn2ccc(NC(=O)Nc3ccc(C)cc3)n2)cc1 28225057 WBGBJMKXLRXOBF-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB COc1ccc(S[C@@H](C)c2nc(-c3ccco3)no2)cc1 29739663 AYBCWSUYTTYIEM-JTQLQIEISA-N 302.355 4.192 0 40 DIAB Cc1cccc(OCC(=O)Nc2ccc(C)c3ncccc23)c1C 31093922 NNZAZZRWZVKBPX-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB Fc1ccc(OCc2noc(-c3cccs3)n2)c(Cl)c1 40012297 MPLSAMDPYDSSDC-UHFFFAOYSA-N 310.737 4.170 0 40 DIAB COC(=O)c1cnc(/C=C/c2ccc(Cl)cc2Cl)s1 58160234 AHVUJHTUZHENHJ-HWKANZROSA-N 314.193 4.407 0 40 DIAB COc1cc2nccc(Nc3ccc(C(C)=O)cc3)c2cc1OC 65005213 NFMNZSAZCDMKMS-UHFFFAOYSA-N 322.364 4.198 0 40 DIAB COc1ccc([C@@H](C)[C@H](C)NC2CC(C)(C)NC(C)(C)C2)cc1 97016419 BJXOPMOBERCBCH-GJZGRUSLSA-N 318.505 4.086 0 40 DIAB O=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(O)c(Cl)c1 97032249 FLRJUCGRUSKKOK-UHFFFAOYSA-N 315.131 4.482 0 40 DIAB Cc1cc(N2Cc3ccccc3C2=N)ccc1Br 101087116 OQWCXWBMHTYOHG-UHFFFAOYSA-N 301.187 4.103 0 40 DIAB CCc1ccccc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222620658 FWFTVMWCGSGYOR-UHFFFAOYSA-N 321.355 4.097 0 40 DIAB Cc1ccc(C)c(OCC(=O)NCc2cccc3ccccc23)c1 222864135 KMPPAYYHLJOXIO-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 224609582 KVVSIBQOJKAQNF-DLBZAZTESA-N 305.462 4.403 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCc1ccc(OC)c(C)c1 225117084 QAWPCWKICWYXOG-INIZCTEOSA-N 305.462 4.269 0 40 DIAB CCc1cnccc1-c1noc([C@@H](CC)Cc2ccccc2)n1 547147825 BJFWNVKFOWNFQZ-HNNXBMFYSA-N 307.397 4.430 0 40 DIAB CC(C)CC(=O)N1CCCCCCCNCc2ccccc21 643588566 YYTDCYSJLMHJSW-UHFFFAOYSA-N 302.462 4.119 0 40 DIAB COc1cc(C(F)(F)F)c2ccc3c(C)c(C)n(C)c3c2n1 34371 UOSLDRVWHXXYCV-UHFFFAOYSA-N 308.303 4.371 0 40 DIAB CC(C)c1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1 187532 NDVHAFJXHKKUHS-UHFFFAOYSA-N 316.213 4.221 0 40 DIAB Brc1cccc(Nc2ncnc3sccc23)c1 2640583 WYOFJYXGKWRDKC-UHFFFAOYSA-N 306.188 4.197 0 40 DIAB Cc1csc(SCC(=O)Nc2ccc(C(C)C)cc2)n1 3344851 JVMNVKZNPBWJLE-UHFFFAOYSA-N 306.456 4.306 0 40 DIAB Cc1csc(SCc2cc(=O)oc3c(C)c(C)ccc23)n1 3413760 FCNKDNFASDRDPI-UHFFFAOYSA-N 317.435 4.467 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 4694467 FMURTIUFIVFECX-UHFFFAOYSA-N 310.397 4.150 0 40 DIAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(F)cc1 5463406 GGZUXPJNVWOYNL-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB COc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8041435 PLICQKXDSMLXFO-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB Cc1cc(C)cc(CSCC(=O)Nc2c(F)cccc2F)c1 8335578 JBSUNSXJNSKKEC-UHFFFAOYSA-N 321.392 4.454 0 40 DIAB Cc1ccc(CSc2ncnc3[nH]cnc23)c2ccccc12 8615314 QAAJMQDVIVIVTD-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB Cc1ccc(Nc2nc(C)c(N)c(Nc3ccc(C)cc3)n2)cc1 9879987 QKPDMGFPLNLENE-UHFFFAOYSA-N 319.412 4.471 0 40 DIAB CCOc1ccc2nc(NC(=O)c3ccsc3)sc2c1 10406904 QBCFFLGHQKDZMN-UHFFFAOYSA-N 304.396 4.009 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cccc3ncccc23)c(C)c1 12859721 RESFIUMHZTZOEL-UHFFFAOYSA-N 304.393 4.124 0 40 DIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3)s2)cs1 14190379 HQVZAPKATHUPKD-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB Cc1ccc(OCC(=O)N(C)Cc2ccc3ccccc3c2)cc1 15590175 HHAYPFZIFWJIDT-UHFFFAOYSA-N 319.404 4.186 0 40 DIAB COc1ccccc1NC(=O)N1CCC(c2ccccc2)CC1 25532705 GAQKLXSXXCHNMK-UHFFFAOYSA-N 310.397 4.107 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)s1 32037691 LRQQGHWJBSMGHK-SSDOTTSWSA-N 301.745 4.171 0 40 DIAB COc1ccc(CN(C)c2cc(C)nc3ccccc23)cc1OC 32902977 JSHJDYODOHUWQG-UHFFFAOYSA-N 322.408 4.197 0 40 DIAB Cc1cccc(C)c1NC(=O)NCCSCc1ccccc1 53980826 STGJIVCOOGFGJP-UHFFFAOYSA-N 314.454 4.358 0 40 DIAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C=C(C1CC1)C1CC1 55736836 KPFUDKKCURAPJS-ZDUSSCGKSA-N 320.436 4.360 0 40 DIAB Cc1nc(C[S@@](=O)Cc2ccc(Cl)c(Cl)c2)cs1 78556050 JNBGFPIBJGLRIZ-GOSISDBHSA-N 320.266 4.207 0 40 DIAB Cc1ccccc1N(C(=O)c1cc(=O)c2ccccc2o1)C(C)C 95948593 YEXWWIQZDCGQJF-UHFFFAOYSA-N 321.376 4.157 0 40 DIAB C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 95968325 AOWTZTFLDZAIAK-KXBFYZLASA-N 321.399 4.250 0 40 DIAB O=C(O)c1sc(Cl)cc1OCc1ccccc1Cl 96510919 DQKWJARXOCUIRB-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2C)ccc1Cl 113969138 RPHDZWSRUMERNP-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(O)CCc1ccc(OCc2cccc3ccccc23)cc1 116990569 ICWICQQASBFCPL-UHFFFAOYSA-N 306.361 4.436 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223250170 QXIXNPCLKIMQND-OAHLLOKOSA-N 323.436 4.373 0 40 DIAB CCc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225773818 FJDWZIWSAWTQNE-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1Cl 245053619 PDEAEEMQIVSLKV-GFCCVEGCSA-N 313.784 4.447 0 40 DIAB Cc1ccccc1-c1cnc(NC(=O)/C=C/c2cccnc2)s1 1531696401 ZRIRGUOVRQAHSN-CMDGGOBGSA-N 321.405 4.165 0 40 DIAB CC[C@H](Sc1ccccc1)C(=O)Nc1nocc1C1CC1 1533969590 IQVIKWLMBBLAFF-AWEZNQCLSA-N 302.399 4.061 0 40 DIAB CC(C)(C)c1ccc(-c2nnnn2-c2cccc(Cl)c2)cc1 338109 NRPGXAHOYKDICZ-UHFFFAOYSA-N 312.804 4.280 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc(F)c(Cl)nc1Cl 385082 RXRMTTFNGBKNJI-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB COC(=S)SCC(=O)c1ccc(-c2ccccc2)cc1 478218 DVTYAXYCIFXCEA-UHFFFAOYSA-N 302.420 4.201 0 40 DIAB Cc1cc(C)cc(NC(=O)COc2cccc3ccccc23)c1 508798 QFOOMIUHHIKMGJ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CCc1nc2sc(C(=O)c3ccc(F)cc3)c(N)c2cc1C 1032099 VZSMIXBTKAQGOW-UHFFFAOYSA-N 314.385 4.119 0 40 DIAB O=C(Nc1nc(=S)ss1)c1cc(Cl)cc(Cl)c1 1404435 GYRNIEGFEGFFDB-UHFFFAOYSA-N 323.251 4.493 0 40 DIAB O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12 1514868 ZIFYTSINBLXZFE-UHFFFAOYSA-N 315.275 4.201 0 40 DIAB c1ccc(Cc2nnc3n2CC[C@H](c2ccccc2)S3)cc1 1611099 XFJYLVDZTTZJGT-MRXNPFEDSA-N 307.422 4.106 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)Nc2cccnc2Cl)cc1 2337436 GTDWXSPTBUUBIC-UHFFFAOYSA-N 318.804 4.050 0 40 DIAB O=C(NC(=S)Nc1ccccc1-c1ccccc1)C1CCCC1 3329218 IZPRPPHNDOYQNC-UHFFFAOYSA-N 324.449 4.357 0 40 DIAB CC(=O)c1ccccc1NCC(=O)Nc1cccc2ccccc12 3398317 PYGIFHIRVKDSRV-UHFFFAOYSA-N 318.376 4.093 0 40 DIAB Cc1ccc(F)cc1NCC(=O)Nc1cccc2ccccc12 3398458 LQDLQESKCXWWRE-UHFFFAOYSA-N 308.356 4.338 0 40 DIAB Cc1ccccc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138181 AYNDMNUXFGYZQR-UHFFFAOYSA-N 318.420 4.285 0 40 DIAB CN(Cc1ccccc1)C1CCN(CCCc2ccccc2)CC1 4703469 QKHJITUCMYFHBJ-UHFFFAOYSA-N 322.496 4.216 0 40 DIAB Cc1ccc(Nc2c(-c3ccc(C)o3)nc3ncccn23)cc1 4734306 WEMWYLLBKIEARW-UHFFFAOYSA-N 304.353 4.350 0 40 DIAB CSc1cccc(NC(=O)Cn2c(C)cc3ccccc32)c1 4749114 JAMNIHGAJOTSLI-UHFFFAOYSA-N 310.422 4.310 0 40 DIAB O=C(NCc1ccccc1)c1cccc(OCc2ccccc2)c1 5089989 UYEJRBOXKSNZTG-UHFFFAOYSA-N 317.388 4.196 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2ncncc2c1 6159203 WIEDVZQXJUCJCY-UHFFFAOYSA-N 316.474 4.131 0 40 DIAB Cc1ccc2[nH]c(SCC(=O)c3cc(F)ccc3F)nc2c1 6292140 CORZNEPQHLDSGY-UHFFFAOYSA-N 318.348 4.125 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1C 7093849 XZCMDEHLDDNPJM-INIZCTEOSA-N 313.466 4.414 0 40 DIAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7304161 VSQMCMAEBIILED-ZDUSSCGKSA-N 301.361 4.106 0 40 DIAB CC(C)(C)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 8113380 FSLRWSMIBMHHNJ-OAHLLOKOSA-N 309.409 4.174 0 40 DIAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 8125093 JAKQUVRGTNONQV-UHFFFAOYSA-N 305.830 4.171 0 40 DIAB CC(=O)Nc1ccc(-c2csc(NC3CCCC3)n2)c(F)c1 8225437 DFOFTSXIGSLCOQ-UHFFFAOYSA-N 319.405 4.262 0 40 DIAB COc1cccc(CN[C@H]2CCSc3ccccc32)c1OC 8328514 OLRCSDHTKNVLOZ-HNNXBMFYSA-N 315.438 4.031 0 40 DIAB O=C(O)c1ccc(CSc2ccc(Br)cc2)o1 11888682 HMCJJURNDSYENF-UHFFFAOYSA-N 313.172 4.033 0 40 DIAB Cc1ccc2cc(CNc3ccccc3Cl)c(=O)[nH]c2c1C 12492978 AUXXWNDQERZKPJ-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 15316428 KBHKXARFRTWEJS-RYUDHWBXSA-N 321.779 4.124 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C 20481219 ARJLLEWLDGGADM-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB Cc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1C 23126974 IFRKRIKONHQBJJ-UHFFFAOYSA-N 316.364 4.411 0 40 DIAB COc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 25765110 YHZWMWZCNOEIEW-ZDUSSCGKSA-N 320.392 4.043 0 40 DIAB CCCc1sc(C(=O)Nc2nnc(C(C)C)s2)cc1CC 26567536 QJJHCVRXVCODAP-UHFFFAOYSA-N 323.487 4.490 0 40 DIAB CC(C)C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29012992 REQXJPUUOOJHHS-UHFFFAOYSA-N 314.332 4.423 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1SC 30867811 SDRYGXNZOXLQLB-OAHLLOKOSA-N 319.401 4.344 0 40 DIAB CCSc1ccccc1C(=O)NCCSCc1ccco1 31254425 GPGIAHFJMLCDIN-UHFFFAOYSA-N 321.467 4.055 0 40 DIAB O=C(/C=C/c1cccnc1)N[C@@H](c1cccs1)C1CCCC1 31803608 OIQKVLWAMNNOGX-QZEKMECESA-N 312.438 4.204 0 40 DIAB CCc1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 40097922 SRSSWPDDDGLBJP-UHFFFAOYSA-N 304.340 4.191 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 40104659 AJMQMACLDLLXAI-GHMZBOCLSA-N 316.323 4.095 0 40 DIAB CCOc1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1 44844967 MKTULTSPIWDHRM-UHFFFAOYSA-N 320.776 4.391 0 40 DIAB Cc1cc(OC(=O)c2cn3c(C)cccc3n2)cc(C)c1Cl 59281613 AQQZZTHDTRFYCW-UHFFFAOYSA-N 314.772 4.132 0 40 DIAB O=C(C[C@H]1C=CCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840043 BDKLYYOCPWJKBF-HNNXBMFYSA-N 308.425 4.230 0 40 DIAB C[C@@H](c1ccccc1F)N(C(=O)Nc1nccs1)C1CC1 84660622 HGNFJGMFUYBXHK-JTQLQIEISA-N 305.378 4.040 0 40 DIAB FC(F)(F)c1ccc(NN2CCCCC2)c(Br)c1 95081562 OCDOKHHFJVMCMK-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB CCSc1ccccc1NC(=O)N(CC(F)F)C1CC1 95410849 DUXMBCUGHDHXMY-UHFFFAOYSA-N 300.374 4.060 0 40 DIAB CC(C)n1c(S[C@@H](C)C(F)(F)F)nc2ccccc2c1=O 95965217 AINFCRSHEZTZOQ-VIFPVBQESA-N 316.348 4.020 0 40 DIAB C[C@@H](O)c1ccccc1NC(=O)C[C@@H](C)c1cccc(F)c1 95993507 AVFGURFUZHQDMW-CHWSQXEVSA-N 301.361 4.011 0 40 DIAB CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 96316597 DTRRCUQQVYIPNX-RYUDHWBXSA-N 324.207 4.229 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)cc1 113970103 JQBMINJPUYICGS-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC(C)(C)C 113971182 DXAYBMIPWCWPRA-INIZCTEOSA-N 323.502 4.109 0 40 DIAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225605578 RQAGSJJOJIMVDR-SFHVURJKSA-N 307.434 4.111 0 40 DIAB Cc1cc(C)n(-c2ncnc3sc(-c4ccccc4)cc23)n1 90098 LICDMGUSQHMJBI-UHFFFAOYSA-N 306.394 4.161 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1801457 CCLQEUIFQUKBAZ-UHFFFAOYSA-N 317.772 4.159 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881348 WRWBCPJQPDHXTJ-YQXKYMSPSA-N 304.474 4.061 0 40 DIAB biogenic,in-vitro CN(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4798340 NQZLFYRTLUTBIA-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB FC(F)(F)c1cccc(NC(=S)NC2CCCCC2)c1 5338060 ZTMRQUMDCHUZPO-UHFFFAOYSA-N 302.365 4.325 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 5515517 ZKDQDUXWENMQCD-NSHDSACASA-N 324.207 4.077 0 40 DIAB Cc1ccccc1-n1c(SCC(C)C)nnc1-c1cccnc1 5694654 DJEOBGUXWUZHPR-UHFFFAOYSA-N 324.453 4.386 0 40 DIAB COc1ccc(SCC(=O)c2cc(C)n(C3CC3)c2C)cc1 6650795 GNYVHFZNUWTNFF-UHFFFAOYSA-N 315.438 4.423 0 40 DIAB CCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 7261679 XOAFHRJSJPNMHI-UHFFFAOYSA-N 313.441 4.472 0 40 DIAB Cc1cccc2sc(NC(=O)c3cc4c(s3)CCC4)nc12 7725074 JKCYGMNBYNHMSF-UHFFFAOYSA-N 314.435 4.407 0 40 DIAB CCC(CC)C(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732892 IHEFNXIDBCGGLP-CYBMUJFWSA-N 309.431 4.017 0 40 DIAB CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)[nH]c(=O)c21 9692020 RYDFVMMMYFSBEA-GOSISDBHSA-N 314.454 4.161 0 40 DIAB C/C=C/C=C/C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 12544584 SFCNXYPFUKIUSU-CRBCFSCISA-N 303.365 4.072 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)c1 12676519 OVPQPXDZFXRQED-JXFKEZNVSA-N 322.452 4.371 0 40 DIAB O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)C1CCCCC1 13113866 OQOIVRFRNCARNW-UHFFFAOYSA-N 320.396 4.144 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 14573619 OEANCRZEYYHTCN-YHVDPYDOSA-N 309.409 4.203 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c2cccnc12 24867438 VCBBGAKOBWRYLI-ZDUSSCGKSA-N 324.355 4.088 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 30848606 WQYGTSCFKFGOLA-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1C 31092748 BVLMQKNLBVVLTI-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB c1ccc2c(c1)oc1c(Sc3ncc4ccccn34)ncnc12 32509917 NDCXFBNJERDKOX-UHFFFAOYSA-N 318.361 4.175 0 40 DIAB C[C@H](c1cccs1)N(C)C(=O)c1nc(Cl)ccc1Cl 32841990 MOKWYBHBROYDJU-MRVPVSSYSA-N 315.225 4.283 0 40 DIAB COc1ccc(NC(=O)NCc2sccc2C)cc1Cl 43331742 BYTIYFDVPULVME-UHFFFAOYSA-N 310.806 4.040 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccccc1 44850481 UZFWQDLCIKSUBW-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB Cc1cc(-c2ccc(/C=C/C(=O)O)o2)cc(C)c1Br 45888714 NZKIVUWEWCKTPF-GQCTYLIASA-N 321.170 4.424 0 40 DIAB CC(C)(C)c1ccc(NC(=O)NC[C@H](O)C2CCCCC2)cc1 70636824 SWDFVHMJGJRIQP-KRWDZBQOSA-N 318.461 4.047 0 40 DIAB COCc1cccc(CNc2ccc(Br)c(F)c2)c1 88553795 KQRWHJJHGOZMEM-UHFFFAOYSA-N 324.193 4.347 0 40 DIAB CCNCc1ccccc1NC(=O)CCc1ccc(Cl)s1 95971509 ORAGSBDVUPSYOZ-UHFFFAOYSA-N 322.861 4.082 0 40 DIAB CC[Si](CC)(CC)c1c(Cl)ccc(C(=O)OC)c1Cl 195920939 RACNFWNPXCBOCT-UHFFFAOYSA-N 319.304 4.496 0 40 DIAB COc1cc(Br)c2[nH]c(-c3cccc(F)c3)nc2c1 216915647 BEZWFBZXGNWSOT-UHFFFAOYSA-N 321.149 4.140 0 40 DIAB CCOc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1C 222817994 YOEBZPQPHVMDNE-UHFFFAOYSA-N 319.404 4.477 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccccc1 222943521 GBKKXZHNLAEDIX-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccccc1 222943645 GBKKXZHNLAEDIX-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB CCc1ccccc1NC(=O)COc1cccc2c1CCCC2 224522246 GDMNGTPTYMWOAK-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB CC(C)C(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C)C 224984614 UOLUGOTYDXKSQI-UHFFFAOYSA-N 311.853 4.294 0 40 DIAB Fc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225543910 FDIRSSBLSUIGIT-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225732212 WKUVCWGJESWQGH-GOSISDBHSA-N 307.434 4.236 0 40 DIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cccs1 390826216 FROOCGGCZIDRRR-CYBMUJFWSA-N 305.449 4.391 0 40 DIAB CC[C@H](C(=O)NCc1cncc(-c2ccco2)c1)c1ccccc1 575618784 OVISRYNZBLKVCI-SFHVURJKSA-N 320.392 4.152 0 40 DIAB CSc1c(CC(=O)O)n(Cc2ccccc2)c2ccccc12 380731 ZNRFHFNEYSLUQB-UHFFFAOYSA-N 311.406 4.039 0 40 DIAB O=C(Nc1nc2c(Cl)cccc2s1)c1cccnc1Cl 382832 JIDVEHZNZYMXKO-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB biogenic Cc1ccc(-c2nnc(OC[C@@H]3CCCO3)c3ccccc23)cc1 472549 VFCAAOBNOHGTKZ-INIZCTEOSA-N 320.392 4.163 0 40 DIAB O=C(O)c1sc(-c2ccccc2)c2c1-c1ccccc1C2=O 1591003 IFXZBYZMXYACSK-UHFFFAOYSA-N 306.342 4.325 0 40 DIAB CCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 3036418 PPCAZUKWAYGQDD-UHFFFAOYSA-N 304.393 4.432 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3cccnc3Cl)sc2c1 3169079 ZMQIJZWLRRNMLR-UHFFFAOYSA-N 317.801 4.214 0 40 DIAB COc1ccc(-c2nc(Nc3c(C)n[nH]c3C)sc2C)cc1 3363388 PGUSZDRWOUKBJM-UHFFFAOYSA-N 314.414 4.211 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccccc2C)cc1OC 3481485 LZZAZEDGNLSLTK-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cc2ccccc2o1 3648554 LSYYJHKULOPOHB-OAHLLOKOSA-N 323.392 4.110 0 40 DIAB CCCSc1nc2c(c(=O)[nH]1)[C@@](C)(CC)Cc1ccccc1-2 3771727 DBIFJSUGQSVQGV-SFHVURJKSA-N 314.454 4.163 0 40 DIAB CCc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccco3)C2)cc1 4306572 FUINCXPYDQMIIR-QGZVFWFLSA-N 310.397 4.176 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1 5674044 HHEHKBRWBJLCLF-ZDUSSCGKSA-N 321.342 4.457 0 40 DIAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 6220475 ZYACVRDNANTWGW-VIFPVBQESA-N 314.237 4.475 0 40 DIAB Cc1c(C)n(-c2ccccn2)c2ncnc(NC3CCCCC3)c12 6660700 ATQMFAOPYLMGNM-UHFFFAOYSA-N 321.428 4.177 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 7971345 ITFMRDGFOAXANC-LLVKDONJSA-N 315.438 4.442 0 40 DIAB CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1F 8254144 CQWGAAHELGLKGT-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C)c1C 8499815 ZYXQNBNSUSCBPV-INIZCTEOSA-N 301.361 4.239 0 40 DIAB Cc1n[nH]c(C)c1CCCCOc1ccccc1Br 8753681 YOZSZAWGJWDPHA-UHFFFAOYSA-N 323.234 4.191 0 40 DIAB O=C1S/C(=C\c2cccs2)C(=O)N1CCc1ccccc1 10537908 GNOJSQANIAJGQN-KAMYIIQDSA-N 315.419 4.027 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)o1)c1ccc(Cl)s1 10881173 PXSQJKULMFWRLP-UHFFFAOYSA-N 311.794 4.085 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(F)cc1F 11770936 FUUAQKYTHYDRHE-UHFFFAOYSA-N 316.351 4.126 0 40 DIAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 12771605 SBCBHLRAIJRTBV-LLVKDONJSA-N 323.845 4.436 0 40 DIAB O=C(Nc1ccccc1O)C1c2ccccc2Oc2ccccc21 12998619 UNCKUSWAQVHWOD-UHFFFAOYSA-N 317.344 4.269 0 40 DIAB CC(C)(C)c1ccc(-c2noc(-c3ccccc3C(=O)O)n2)cc1 22119722 HSLZILRGNTWZBY-UHFFFAOYSA-N 322.364 4.399 0 40 DIAB C[C@H](NC(=O)CCc1cccnc1)c1ccc(Cl)cc1Cl 23555743 HHSRZFSOZLVMDU-NSHDSACASA-N 323.223 4.198 0 40 DIAB C[C@H](SCc1cccc(F)c1)C(=O)Nc1ccccc1F 32907788 HFSJAGDUIYVQBX-NSHDSACASA-N 307.365 4.225 0 40 DIAB CC[C@H](CNC(=O)Cc1cccc2cccnc12)c1ccccc1 40034509 RWOLUOVNYTVCQN-MRXNPFEDSA-N 318.420 4.087 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Cn3ccnc3C)cc2)c1C 65530920 RTGSXKHPDANXLR-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB CCOc1ccc(NC(=O)c2coc(-c3ccccc3)n2)c(C)c1 78081581 ILCSRPWULQLMIB-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 80345942 UHNMVJXEFCRWMV-LLVKDONJSA-N 324.207 4.191 0 40 DIAB COc1ccc2ccc(OC(=O)[C@H]3C[C@@H]3c3ccco3)cc2c1 83970391 RUXBXEIRMDWBOM-IRXDYDNUSA-N 308.333 4.151 0 40 DIAB Cc1cnc([C@@H](N[C@H]2CCc3ccc(F)cc32)C2CC2)s1 95423344 YJBLNPFFWYQZFC-HOTGVXAUSA-N 302.418 4.319 0 40 DIAB COc1cccc2c1CC[C@@H]2N[C@H](c1ncc(C)s1)C1CC1 95968578 GNKQOTINDNRGAV-RDJZCZTQSA-N 314.454 4.188 0 40 DIAB CCCCc1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194435 ODORDNWGCWPZOV-UHFFFAOYSA-N 312.398 4.250 0 40 DIAB Cc1cc(NC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)no1 96484847 RCAWNUIYPBDRAG-LLVKDONJSA-N 322.434 4.096 0 40 DIAB CCn1c([C@@H](C)NCc2ncoc2C(C)C)nc2ccccc21 97103336 LBCUOZLEFXMWKE-CYBMUJFWSA-N 312.417 4.018 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)NCCSC1CCCC1 224258977 YIUAHYGRGFQBQD-CQSZACIVSA-N 323.527 4.100 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)NCC2CCCCC2)cc1 224261099 UUVFYSVMVSRCHA-UHFFFAOYSA-N 303.446 4.059 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCC1 225656037 DJRUUXRSBRYVOY-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB O=C(N[C@@H]1CCCc2occc21)OCc1ccc(Cl)cc1 583651464 MUOLOKFYWXJSGV-CQSZACIVSA-N 305.761 4.237 0 40 DIAB OCc1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 685936854 CNJIUZKZROUYPW-UHFFFAOYSA-N 303.283 4.413 0 40 DIAB CCN(Cc1cc(O)ccc1Cl)[C@H](C)c1cccc(O)c1 1559572224 QOGJOBGNKVXJSC-GFCCVEGCSA-N 305.805 4.334 0 40 DIAB O=C(O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1 1614662461 LPZLKLOPOZAYPW-UHFFFAOYSA-N 312.209 4.231 0 40 DIAB Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1 385381 AGEKNBHVEHZYGB-UHFFFAOYSA-N 319.408 4.074 0 40 DIAB COc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)cc1 420036 FVBMVBGXWXJKQQ-UHFFFAOYSA-N 324.380 4.447 0 40 DIAB O=[P@](O)(Cc1ccccc1)c1ccccc1-c1ccccc1 1642165 MBXXAWQVAZOTJO-UHFFFAOYSA-N 308.317 4.450 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 2695287 HPIFJYLSEWLRGO-LLVKDONJSA-N 307.752 4.194 0 40 DIAB O=C(CSc1ncccn1)c1ccc(C2CCCCC2)cc1 3225182 DPMWRFVBTJCHNG-UHFFFAOYSA-N 312.438 4.499 0 40 DIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1Cl 3314815 LYBRFQIGRHDLKW-AWEZNQCLSA-N 317.816 4.017 0 40 DIAB CCc1ccc(NC(=O)COc2cccc3ccccc23)cc1 4666189 JFFWECBSRAJLJX-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB Cc1oc2ncnc(Nc3ccccc3Br)c2c1C 5346698 ALXHYYWKJPTBST-UHFFFAOYSA-N 318.174 4.346 0 40 DIAB COc1ccc(Cl)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 5557203 VXACJXRRXHKKNP-UHFFFAOYSA-N 319.832 4.047 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1C 6044490 MWSQZMXCJHRKLC-UHFFFAOYSA-N 308.410 4.056 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 6231878 JOMYYBNDOIXYHU-RBUKOAKNSA-N 309.409 4.038 0 40 DIAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccccc1 6337938 ADVVIIGEZUOCAR-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1 7653373 HXVAZOIPPYHFFN-ZDUSSCGKSA-N 301.361 4.103 0 40 DIAB CCOC(=O)c1oc2ccccc2c1CN[C@@H](C)c1ccccc1 7783023 ZISBLMJMLPJWDH-AWEZNQCLSA-N 323.392 4.460 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCC)cc1 7886483 AHTRCPGHHFZIJB-SFHVURJKSA-N 310.397 4.062 0 40 DIAB CCOc1ccc2ccccc2c1-c1cc(=O)[nH]c(=S)s1 8782837 KTMGUYCECVNXKX-UHFFFAOYSA-N 315.419 4.385 0 40 DIAB c1nc(NC2CCCCCCCCCCC2)c2cn[nH]c2n1 11856476 VUNLQSGVPCXFHK-UHFFFAOYSA-N 301.438 4.438 0 40 DIAB Cc1noc(C)c1CN(C)[C@@H](C)c1nc2ccccc2s1 12771684 OMZBGBPNEQTOEJ-NSHDSACASA-N 301.415 4.094 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 13710224 DJFTVTWSTRNVIM-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(CCC1CCCC1)Nc1nnc(C2CCCCC2)s1 16722119 BNGANZDETXFZCM-UHFFFAOYSA-N 307.463 4.495 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccoc1 21531280 SESDNHAQNHTPFC-UHFFFAOYSA-N 304.305 4.340 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(F)c1 22525941 FCQANTONIHISGR-MRXNPFEDSA-N 305.324 4.069 0 40 DIAB CCc1ccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)o1 24920482 KFSCGFWQVJKWEZ-UHFFFAOYSA-N 323.396 4.205 0 40 DIAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccn1 30822849 YJQOBKCEGIHRRM-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1 43209989 BQRPODSQINSLNZ-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)n1 59474552 QIKKYZRNIMIQPD-UHFFFAOYSA-N 315.420 4.415 0 40 DIAB Cc1cc2c(cc1C(=O)Nc1cccc(Cl)c1)OCCCO2 65315012 UKAOYOJBSLHSJZ-UHFFFAOYSA-N 317.772 4.062 0 40 DIAB CC(=O)c1ccccc1C(=O)Nc1cc(C(C)C)c(O)cc1C 95431738 IDMDLULVAVTDMZ-UHFFFAOYSA-N 311.381 4.279 0 40 DIAB Fc1cc(N2CCc3ccccc3C2)ccc1Br 95915936 QODXULHUZYNITI-UHFFFAOYSA-N 306.178 4.151 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccc(O)c1)CC2 95950287 CHOAZCGGZSQAOZ-RAXLEYEMSA-N 317.344 4.125 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100620940 XIXOIPGLZLFHTF-ODVANORSSA-N 324.424 4.205 0 40 DIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1C[C@H]2C=C[C@H]1C2 102090137 JICZKJJTRCULNU-MSGIPMKFSA-N 316.404 4.403 0 40 DIAB Cc1c(-c2ccccc2)[nH]c2c(Br)cccc2c1=O 128807074 SUJIPAXGNBXYOD-UHFFFAOYSA-N 314.182 4.266 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](C)c1ccccc1 224434130 SZBUTVMNDXTTDI-FUHWJXTLSA-N 311.425 4.072 0 40 DIAB COc1ccccc1CCCNC(=O)c1ccc(C)cc1Cl 225001411 AORDZEAJOCQXNH-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)c1C 225022226 VRGFUGDLAVGRGS-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 225591728 RRTIFNHTRCWCRH-UHFFFAOYSA-N 316.999 4.047 0 40 DIAB Cc1ccc(NC(=O)c2snnc2-c2cccs2)cc1C 225787818 AHSXPJLEXLBYAJ-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB Cc1ccnc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225873298 RBDQEZJBJDOFRC-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CCc1nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2n1C 225896308 VJOQCMGEHXAWIL-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)C(F)(F)F 226270864 AJLNBODGMIXJBN-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB COc1ccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)cc1N 226297161 ZMSPJVVDNASVFE-HXUWFJFHSA-N 319.360 4.259 0 40 DIAB CC(C)C[C@H](N)COc1cccc(F)c1Oc1ccccc1 257251867 JSPDXFPIKISRGX-AWEZNQCLSA-N 303.377 4.370 0 40 DIAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1cccs1 408588430 WFVSRBZQDNFWLI-UHFFFAOYSA-N 322.798 4.384 0 40 DIAB CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 44985 DKNGDCKQSSMMDP-VZUCSPMQSA-N 323.392 4.365 0 40 DIAB Fc1cccc(Cl)c1CSC(=S)N1CCSCC1 140419 IIJHWKPYRHQMRI-UHFFFAOYSA-N 321.895 4.046 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccccc2)s1 272091 FLEKNOOGBMVUBL-VAWYXSNFSA-N 320.417 4.386 0 40 DIAB Cc1nc2c(sc3nc(C(C)C)c4c(c32)CCCC4)c(=O)o1 547862 REUFDGNJHBARAR-UHFFFAOYSA-N 314.410 4.108 0 40 DIAB CCCCOc1ccccc1NC(=O)COc1ccccc1C 1777466 WOBLKNPSTZLJAN-UHFFFAOYSA-N 313.397 4.191 0 40 DIAB Clc1ncn(CCOc2ccc3ccccc3c2)c1Cl 2325714 ZJVARYLKOFOYJH-UHFFFAOYSA-N 307.180 4.422 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](OC=O)CC[C@H]12 3846842 ZQSXNBHXKJQHBH-PRGVCLAKSA-N 318.457 4.140 0 40 DIAB COc1ccc2c(C)cc(SC[C@@H]3CCCCO3)nc2c1 6831998 YUPFUWBEKYPOMG-AWEZNQCLSA-N 303.427 4.213 0 40 DIAB O=C(O)c1cc(/C=C/c2c(F)cccc2F)nc2ccccc12 6862477 DCMRLSLLQAFQSN-CMDGGOBGSA-N 311.287 4.382 0 40 DIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCCC1 7378138 PMFNDIBNANTDJI-NSHDSACASA-N 315.244 4.196 0 40 DIAB COc1ccccc1CNC(=S)Nc1ccc(C)c(Cl)c1 7521038 OFCSGVFOCXGFTN-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB C[C@H](C1CC1)N(Cc1ccccc1)C(=S)NC1CCCCC1 7640882 DTJJKCSGAWDZJJ-OAHLLOKOSA-N 316.514 4.494 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(C)c1C 8040755 WTLZDVUZXXPBBZ-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1 12947382 ABRJHGODPPPIFV-CQSZACIVSA-N 324.449 4.496 0 40 DIAB Cc1cccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1 14184085 VPMSYKUNYQQFTL-UHFFFAOYSA-N 308.362 4.220 0 40 DIAB COc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1C 15580666 JVGQJWCITRXGCT-UHFFFAOYSA-N 324.424 4.246 0 40 DIAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccncc1 18111846 QVRHZPPGICEHHU-UHFFFAOYSA-N 316.451 4.203 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCCC(C)(C)C1 22516165 WVQGELQMYQVANQ-AWEZNQCLSA-N 309.837 4.146 0 40 DIAB CCSc1ccccc1C(=O)NCCc1ccc(Cl)cc1 25153387 FYOSPTYHJMQQMV-UHFFFAOYSA-N 319.857 4.425 0 40 DIAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 28781729 SYOHQCWRSPDTCR-JTQLQIEISA-N 316.813 4.441 0 40 DIAB Cc1c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738312 ZPSRISJRCMBPTJ-GFCCVEGCSA-N 319.364 4.109 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 32843241 JCGOYHFAMNDAGR-NNKBYLESSA-N 301.474 4.310 0 40 DIAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1 40074321 DTTITSWZQKFETK-RYUDHWBXSA-N 313.319 4.119 0 40 DIAB COc1ccc(F)cc1-c1csc(Cc2csc(C)n2)n1 40086294 DKNIZIQLWFTIPO-UHFFFAOYSA-N 320.414 4.314 0 40 DIAB COc1cccc(CN(C)C(=O)Nc2cc(Cl)ccc2F)c1 40103866 OSHJBSJDKXKFMR-UHFFFAOYSA-N 322.767 4.152 0 40 DIAB O=C(CCCc1cccs1)Nc1cccc(OC(F)F)c1 40121335 UFUVWWFHVCVJAG-UHFFFAOYSA-N 311.353 4.311 0 40 DIAB CCn1c(-c2cnc(-c3ccccc3)nc2)nc2ccccc21 48879737 CWXGIWPUGFUGRA-UHFFFAOYSA-N 300.365 4.180 0 40 DIAB Cc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1 58178794 GDTZRGWUOCDKCB-UHFFFAOYSA-N 319.452 4.146 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccc(F)cc1 60822729 ZJWACOPMFNITSG-ZDUSSCGKSA-N 311.422 4.317 0 40 DIAB Cc1ccncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72211425 APPQREAJIJDCCI-SFHVURJKSA-N 310.397 4.254 0 40 DIAB CC(C)CN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212023 IIFRNFPXBLFDHX-IBGZPJMESA-N 310.441 4.454 0 40 DIAB CC(C)(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1 73847199 VUSAJSGNAGCBMU-HNNXBMFYSA-N 302.805 4.252 0 40 DIAB CCCc1c(C(=O)NC2CCCCCCC2)[nH]c(C)c1C(C)=O 84758783 IOWXTEDLPBLKJC-UHFFFAOYSA-N 318.461 4.321 0 40 DIAB Cc1cc(C)c(C(=O)N2CCC(OC(C)(C)C)CC2)c(C)c1 90658583 GDPIMWBEDSCQOQ-UHFFFAOYSA-N 303.446 4.032 0 40 DIAB C[C@@H]1CC[C@@H](OC(=O)c2csc(-c3ccc(F)cc3)n2)C1 95996102 HNMWTAZAOQGHOW-ZWNOBZJWSA-N 305.374 4.295 0 40 DIAB CO[C@@H](CNC(=O)c1cccc2ccccc12)c1ccccc1C 96104963 JGSLRTOEEUTXCA-FQEVSTJZSA-N 319.404 4.266 0 40 DIAB Cc1ccccc1-c1nc(CNCc2ccc([C@@H]3C[C@H]3C)o2)no1 97164460 HGJOLKKERRFZTB-CZUORRHYSA-N 323.396 4.051 0 40 DIAB Cc1ccc2c(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)coc2c1 102289216 QXCLSOIVMZEQIT-YRBFXIGRSA-N 311.425 4.225 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 113951196 VANNGSBCJCDUHP-FQEVSTJZSA-N 319.404 4.314 0 40 DIAB COC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 114953292 YUVNBLYBVSOWIL-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 225077559 XZGQPJJLEFBHDU-CYBMUJFWSA-N 319.807 4.159 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc2cccc(C)c2oc1=O 226034452 NBVVJWKCQIAHFS-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Cl 575607614 AQRTVGCUKSCVMR-UHFFFAOYSA-N 301.729 4.123 0 40 DIAB CCOC(=O)c1c(-n2c(C)ccc2C)sc2c1CCCC2 116340 FAVIXVTZAZZLCP-UHFFFAOYSA-N 303.427 4.211 0 40 DIAB Cc1cc(SCC(=O)Nc2ccccc2)c2ccccc2n1 303419 KBQPUBIXSMHRTR-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)csc1C 478520 DQZXTHZAQYESSN-UHFFFAOYSA-N 323.801 4.139 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCc1ccccc1Cl 579341 GQNOQZQDEVMACN-MDZDMXLPSA-N 306.192 4.323 0 40 DIAB Clc1cccc(CSc2ncn(-c3ccccc3)n2)c1 2124125 ZNWYBEJPPWXGAJ-UHFFFAOYSA-N 301.802 4.213 0 40 DIAB COc1ccccc1CCC(=O)c1cccc(Br)c1 2516455 IDTRVSWYPXXZIA-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB COc1cc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1 3165573 CPGZDCVXXTZGMN-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 3499433 AVSJERGQKCIKEQ-GFCCVEGCSA-N 320.845 4.471 0 40 DIAB O=C(CSCc1ccccc1)N[C@H]1CCCc2ccccc21 3601952 IOXVUUUKSGMHKP-SFHVURJKSA-N 311.450 4.114 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@H]2CCCc3ccccc32)cc1 3606544 ZEXIOKMXUNVBMN-FQEVSTJZSA-N 323.436 4.348 0 40 DIAB CCC(CC)C(=O)OCCCCCOC(=O)C(CC)CC 4722489 SOXMMPCGTTZVHH-UHFFFAOYSA-N 300.439 4.116 0 40 DIAB CCN(CC)CC/C=C/C1(O)c2ccccc2-c2ccccc21 5044028 FGQSXDMCBOCBRH-OQLLNIDSSA-N 307.437 4.191 0 40 DIAB CCCOc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 5607381 NVHZXCPFYXDBNT-UHFFFAOYSA-N 316.426 4.338 0 40 DIAB COc1ccc([C@@H]2OC(=O)c3c2ccc2ccccc32)c(C)c1 5809124 PMVCYRWPQFDLEX-IBGZPJMESA-N 304.345 4.417 0 40 DIAB CCCCCCNC(=O)NCc1ccc(Cl)cc1Cl 6264029 YYGWNQXRJJOYQU-UHFFFAOYSA-N 303.233 4.373 0 40 DIAB Cc1cccc(C)c1NC(=S)N[C@H]1CCOc2ccccc21 6784615 PHCASYKLAXSNOO-HNNXBMFYSA-N 312.438 4.114 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)cc1 7037334 VZJYBRDEHRZFRJ-LGWVBRRBSA-N 313.372 4.115 0 40 DIAB COc1ccccc1[C@H](C)N[C@H](C)C(=O)c1c[nH]c2ccccc12 7987445 UNADOLPXZRCBGS-UONOGXRCSA-N 322.408 4.099 0 40 DIAB CCSc1nc2ccccc2c2nc(-c3ccccc3)nn12 8559200 VDPLVDBDCPIGIL-UHFFFAOYSA-N 306.394 4.057 0 40 DIAB Cc1nc2c(C)cc(Cl)cc2c(O)c1CN1CCCCC1 8717232 ZXUQHWNIZWKLHA-UHFFFAOYSA-N 304.821 4.197 0 40 DIAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc2ccccc2o1 9497224 ZORDXRCIUBWSOT-CYBMUJFWSA-N 318.376 4.334 0 40 DIAB O=C(c1cc(Cl)sc1Cl)N1CCc2sccc2C1 12216047 QSFOJQMBSOWWEQ-UHFFFAOYSA-N 318.250 4.315 0 40 DIAB Oc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 13126826 BBHYPHDDSNJGIR-UHFFFAOYSA-N 306.243 4.128 0 40 DIAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)c(C)c1 18205423 XQFYZEXEAJLCNF-UHFFFAOYSA-N 319.857 4.479 0 40 DIAB Fc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1 19294320 YZNOXYXVGZBUEH-KBPBESRZSA-N 316.426 4.320 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1cccs1 20536112 SSAFEYSPCCMCGF-VIFPVBQESA-N 310.806 4.293 0 40 DIAB CC(CNC(=O)[C@H]1CC=CCC1)(c1ccccc1)c1ccccc1 21669813 MUCLXMMZVVRVHY-SFHVURJKSA-N 319.448 4.465 0 40 DIAB O=C(c1ccc(Cl)s1)N1CCCc2cc(F)c(F)cc21 31926900 NLYZAQJBRXDTHZ-UHFFFAOYSA-N 313.756 4.273 0 40 DIAB CCOC(=O)CCCCCC(=O)c1c(F)cccc1Cl 43214392 AFBRXJCCXMWMIW-UHFFFAOYSA-N 300.757 4.175 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 44900691 UNMNSPTZKKQKRV-HOTGVXAUSA-N 311.425 4.202 0 40 DIAB CCCCCOc1ccc([C@H](C)NC(=O)C(C)C)cc1OC 48518139 QJUIAIGNALHJMT-AWEZNQCLSA-N 307.434 4.097 0 40 DIAB O=C(NC1CCCC1)c1cccnc1Nc1cccc(Cl)c1 57645930 JTGMOQMHUBHAKP-UHFFFAOYSA-N 315.804 4.151 0 40 DIAB CC(C)Oc1cc(C(=O)N[C@H](C)c2ccncc2)cc2occc12 72240169 GHZOKHSNTCOUEH-CYBMUJFWSA-N 324.380 4.106 0 40 DIAB Cc1cc(C(=O)c2ccc(C)c(Br)c2)ccc1F 89064299 DTVGINWEQOMHGA-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB OCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 91006441 JHGASFZWJPUFOJ-UHFFFAOYSA-N 306.192 4.489 0 40 DIAB Cc1cc([C@H](O)c2ccc(Br)cc2)ccc1Cl 95730316 JAIYZIBWZGAPSC-CQSZACIVSA-N 311.606 4.493 0 40 DIAB CCOC(=O)c1cc2cc(Cl)cc(Br)c2o1 97439042 RNFVXYWNOPUQSZ-UHFFFAOYSA-N 303.539 4.025 0 40 DIAB C[C@H](NCc1nnc(C2CC2)o1)c1cc2cc(Cl)ccc2o1 195561423 DNCLKBDGZSVGHP-VIFPVBQESA-N 317.776 4.197 0 40 DIAB O=C(NCc1cncc(-c2cccs2)c1)Nc1ccccc1 225667690 VGPAUVRXZZNILA-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB O=C(CCCc1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008551 GHVOOABJLSQVMT-PMACEKPBSA-N 309.453 4.499 0 40 DIAB CCc1c2ccccc2nn1-c1ccc(Br)cc1 2362804645 FDJHPMPBFHOVCW-UHFFFAOYSA-N 301.187 4.350 0 40 DIAB CCC[C@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 74145 CWMRBJVFWHVVRY-JTQLQIEISA-N 323.849 4.157 0 40 DIAB Cc1ccc(-c2csc3ncnc(-n4nc(C)cc4C)c23)cc1 87367 CKHYFQBXYGJKAK-UHFFFAOYSA-N 320.421 4.469 0 40 DIAB O=C(Oc1ccc(F)cc1)c1cc(Cl)nc2ccccc12 529056 BEAMYEJGMHXSIP-UHFFFAOYSA-N 301.704 4.247 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)c(C)c1 570437 AFLPDVQDHKPOJM-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB CCCCSc1nc(N)c2c3c(sc2n1)CC[C@H](C)C3 2271183 DBCAXWXCUHTHFN-VIFPVBQESA-N 307.488 4.291 0 40 DIAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(C(C)(C)C)cc1 2578578 XPQYIRGHKJEIKE-AWEZNQCLSA-N 321.417 4.025 0 40 DIAB Cc1cccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)c1C 3326718 UTJRDDJOBNLNFR-UHFFFAOYSA-N 316.832 4.027 0 40 DIAB CCOc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 3379159 QMXOGWHCNXZJHR-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 6377763 KWXSXUMZUYLCJX-VIFPVBQESA-N 311.715 4.024 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)cc1 6478916 FBIIOBNPBBTICK-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB O=C(OCc1cc(-c2cccs2)on1)c1ccccc1Cl 7548467 XDXGNQZUHXSVBR-UHFFFAOYSA-N 319.769 4.414 0 40 DIAB COc1ccc(C)cc1NC(=O)CNc1ccc(C)cc1Cl 7972368 IRQGQRDJHVZBDU-UHFFFAOYSA-N 318.804 4.016 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c(O)c1 8186244 SHBQTKIIKMYJAM-UHFFFAOYSA-N 323.801 4.017 0 40 DIAB COc1ccc(CN[C@@H]2CCSc3ccccc32)cc1OC 8428720 HOESTZZJPCPFTH-OAHLLOKOSA-N 315.438 4.031 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 10109569 RMVYABOPEYEPKE-OAHLLOKOSA-N 308.406 4.274 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 11899221 IUMXCVQKVWBWBS-UHFFFAOYSA-N 319.326 4.167 0 40 DIAB CC1CCC(NC(=O)Cc2coc3cc4c(cc23)CCC4)CC1 12809329 RUXRQAZEBIYMMC-UHFFFAOYSA-N 311.425 4.159 0 40 DIAB CCC(=O)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 13625479 AXZILBLSVGKPES-UHFFFAOYSA-N 310.353 4.166 0 40 DIAB CCSc1ccccc1NC(=O)c1c(OC)cccc1OC 19931450 TYOAVZNBHFVVOL-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB CN(Cc1ccccc1Br)c1nc2ccccc2o1 22530543 KEGBUUPJXQOLHO-UHFFFAOYSA-N 317.186 4.227 0 40 DIAB COC(=O)c1ccc(CSc2nc3ccccc3nc2C)cc1 28191743 ZMQAWNJCWKPPQH-UHFFFAOYSA-N 324.405 4.017 0 40 DIAB CC(C)Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl 28628661 NSYVBINYBZPBPL-UHFFFAOYSA-N 312.800 4.238 0 40 DIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCO2 31343570 YCGLEPVPHKEJBI-UHFFFAOYSA-N 322.191 4.110 0 40 DIAB Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccn2)cc1 32731074 CGHIBDJFFMRTCM-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB O=C(c1ccc(C2OCCO2)cc1)c1ccc(Cl)cc1Cl 43212682 IUDUXJMCJFUCCB-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc(C(F)(F)F)c1 43879348 ZPIWCRNJAWHXTF-ZWNOBZJWSA-N 314.303 4.169 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC1CCCCCC1 44904722 CAACQVDOJZLBGQ-QGZVFWFLSA-N 303.446 4.300 0 40 DIAB CC(C)N(Cc1ccccn1)C(=O)C[C@H](C)c1ccc(F)cc1 58393172 IOEAGKAYGMQXFG-HNNXBMFYSA-N 314.404 4.152 0 40 DIAB COc1cccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)c1 71978333 MCCBYEFICUNHLD-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1NC1CC1 72213755 SGWUSMMRIGBRFH-SFHVURJKSA-N 321.424 4.023 0 40 DIAB CCSc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72217179 FTJJWDANXJTGHV-CYBMUJFWSA-N 308.447 4.266 0 40 DIAB CCc1nn2c(C)c(Cl)c(C)nc2c1-c1ccc(OC)cc1 72346433 IRXXZSZGGXWBQD-UHFFFAOYSA-N 315.804 4.238 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)cc1 84923914 NNTFSKVPDHOQGX-UHOSZYNNSA-N 319.404 4.068 0 40 DIAB O[C@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951715 ASUIJTQOWIPBJV-YUMYIRISSA-N 321.464 4.206 0 40 DIAB CC1(C)[C@@H]2CN(C(=O)c3ccccc3Cc3ccccc3)C[C@H]21 101274941 HSXKEEYQQADHMO-RTBURBONSA-N 305.421 4.005 0 40 DIAB CCOC(=O)c1csc(Nc2ccccc2C(F)(F)F)n1 105651513 YCCADGGZYOKRIZ-UHFFFAOYSA-N 316.304 4.082 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225627834 XQIDNUHCCXZHCF-AWEZNQCLSA-N 305.418 4.152 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1cnc(OCCC)c(C)c1 225887063 FGAYZHCQEIVTDS-SFHVURJKSA-N 322.449 4.103 0 40 DIAB O=C(N[C@@H](c1ccsc1)c1cccs1)[C@H]1CC=CCC1 575414677 IJMGLNFIARXHNR-WFASDCNBSA-N 303.452 4.372 0 40 DIAB O=C(O)[C@@H](Sc1nccc(-c2ccccc2)n1)c1ccccc1 155552 SVIMTPGKDJEWJJ-INIZCTEOSA-N 322.389 4.062 0 40 DIAB CC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 508803 KZZXWQIDVOMTFJ-UHFFFAOYSA-N 319.360 4.060 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C\c2cn(C)c3ccccc23)C1=O 980892 NBXPZAHAEKDHRP-PDICVPPASA-N 314.410 4.013 0 40 DIAB COCc1ccc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 2009662 GQNBIMLHUAWKHJ-IRXDYDNUSA-N 302.414 4.115 0 40 DIAB O=C(CCc1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1 2517880 ULHXMYTVWZZKGE-UHFFFAOYSA-N 300.226 4.198 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 2619848 ACRVSVTYANRWID-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CCCCC4)c1 3100273 UJCCAMWHYMXBJJ-UHFFFAOYSA-N 324.449 4.333 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4063021 PPWNGKNAPBJSDD-UHFFFAOYSA-N 311.410 4.343 0 40 DIAB O=C(NCCCc1ccccc1)c1cc(Cl)ccc1Cl 4681030 HZDRWFYAEAWSLP-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Oc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 5898526 MJDOZMIGHKFGDC-UHFFFAOYSA-N 312.316 4.220 0 40 DIAB CCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6016327 QXJPPQMSOQRUKO-UHFFFAOYSA-N 308.472 4.190 0 40 DIAB O=C(O)c1cn(CCOc2ccccc2Cl)c2ccccc12 6721553 LHJOKCMLJJDHIM-UHFFFAOYSA-N 315.756 4.072 0 40 DIAB CCn1c2ccccc2c2cc(NC(=S)NC3CC3)ccc21 7527858 WZGJMHDCKLZLLU-UHFFFAOYSA-N 309.438 4.263 0 40 DIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC1CC1 9953310 GTHILOJEQJRISG-UHFFFAOYSA-N 322.383 4.185 0 40 DIAB CC(=O)N1c2ccc(-c3cc4cc(C)ccn4c3)cc2C[C@H]1C 12235760 MRYOVOFFPQEEMX-CQSZACIVSA-N 304.393 4.212 0 40 DIAB CCc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 12556409 QZOWDFQJHMFRFA-UHFFFAOYSA-N 323.421 4.350 0 40 DIAB Cc1ccc([C@H](N[C@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 12679037 DMSUQMWEYKZPOX-BEFAXECRSA-N 308.425 4.063 0 40 DIAB Cc1cccnc1NC(=O)c1cc2c(s1)-c1ccccc1CC2 12740884 WEQIERIZMRSZPS-UHFFFAOYSA-N 320.417 4.469 0 40 DIAB CN(C(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 12921674 GKOIDVDOQARKEK-UHFFFAOYSA-N 315.587 4.318 0 40 DIAB COc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 12999397 SSEFWHYGJQQRMX-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB Cc1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1 13632059 PSFUPQCEFLFZEO-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 13709848 KJPUOOMOQJAYQX-SECBINFHSA-N 311.715 4.024 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(-n3ccnc3C)cc2)c(C)c1 28306056 ZXLGQPXCAFXBCW-UHFFFAOYSA-N 320.396 4.442 0 40 DIAB O=C(O)C/C(=C/c1cccs1)c1nc2ccccc2s1 28498772 BBVICNPEUOJULO-NTMALXAHSA-N 301.392 4.373 0 40 DIAB CN(C(=O)c1csc(Cc2ccccc2)n1)c1ccccc1 33158509 HXSIKQBRWSOONM-UHFFFAOYSA-N 308.406 4.011 0 40 DIAB Cc1cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)sc1C 40145423 SZPKVQIQOIAOME-ZDUSSCGKSA-N 313.344 4.398 0 40 DIAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCCc3ccccc32)o1 42907881 CPNJVDWRIIMLMB-QGZVFWFLSA-N 307.397 4.145 0 40 DIAB O[C@H](Cn1cnc2ccccc21)c1cc(Cl)ccc1Cl 48543749 SLTMYMGYYAUYDO-OAHLLOKOSA-N 307.180 4.077 0 40 DIAB O=C(/C=C/c1cccs1)NCC1(c2cccs2)CCCC1 49511924 VNUBEUQVNCMPCL-BQYQJAHWSA-N 317.479 4.451 0 40 DIAB CCOc1ccccc1NC(=O)N(C)Cc1ccc(C)cc1C 58439424 GDWFTDZNBIGJMF-UHFFFAOYSA-N 312.413 4.366 0 40 DIAB O=C(CSCc1ccccc1F)Nc1cccc(Cl)c1 58685521 XELNYTHYRSTNSB-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cnn(-c2ccccc2)c1 67981067 LDTKPVGQJKNDMH-UHFFFAOYSA-N 319.408 4.249 0 40 DIAB C[C@H](Nc1ccc(N2CCOC2=O)cc1)c1c(F)cccc1F 71902557 NGUFVVYYTVWJNH-NSHDSACASA-N 318.323 4.095 0 40 DIAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2F)o1 84525467 XRRPYOXCPDKARS-NVXWUHKLSA-N 321.351 4.372 0 40 DIAB CCCc1noc([C@@H](C)Nc2ccc(N3CCCCC3)cc2)n1 84759044 VCBMOMOOUYMRSM-CQSZACIVSA-N 314.433 4.186 0 40 DIAB CC(C)(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 90713752 DDNZTZZNSFQWCM-UHFFFAOYSA-N 320.392 4.106 0 40 DIAB COCCOc1cccc(NCc2cnc(C3CCC3)s2)c1 95415417 XOCNMHLOZFLNIK-UHFFFAOYSA-N 318.442 4.048 0 40 DIAB CC(=O)Nc1ccc(C)cc1NC(=O)CCCSC(C)(C)C 95435938 JOBGFIWHEYWAAL-UHFFFAOYSA-N 322.474 4.204 0 40 DIAB Cc1ccc([C@@H](O)c2ccccc2Br)cc1Cl 95730142 ZTWOFNUZKMIUOL-CQSZACIVSA-N 311.606 4.493 0 40 DIAB CCC[C@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccccn1 95980740 KRUHQHKDTUHBQG-XLIONFOSSA-N 309.457 4.181 0 40 DIAB CC(C)c1nnc(COc2ccc(Cl)c3c2C(=O)C[C@@H]3C)o1 96403349 FJRSMQGUBOICPS-VIFPVBQESA-N 320.776 4.115 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCC1 113951109 UJDZOYDFZGGJAL-IBGZPJMESA-N 311.425 4.446 0 40 DIAB COc1cc(OC)cc(-c2nc3ccc(-n4cccc4)cc3o2)c1 216743944 DLALTKMHTSYQHV-UHFFFAOYSA-N 320.348 4.303 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F 224380381 XTTLYLUEHIXDJP-UHFFFAOYSA-N 312.171 4.405 0 40 DIAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 226365489 RRLMDLXGKMLZQR-UHFFFAOYSA-N 314.291 4.059 0 40 DIAB c1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@H]3S2)c1 226757347 OWGONMGDVRAGSN-TXEJJXNPSA-N 308.478 4.149 0 40 DIAB CCC[C@@H](Nc1ccccc1)[C@@H]1CN(c2ccccc2)CC[C@H]1O 257208513 BMLYKOAUDMIFEJ-PWRODBHTSA-N 324.468 4.155 0 40 DIAB Cc1cc(C)cc(NC(=O)c2c(N)sc3c2CCCC3)c1 74459 WGMFWNXQOUPPBJ-UHFFFAOYSA-N 300.427 4.078 0 40 DIAB Cc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 320538 UIKUNAVOJUEFCL-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 554958 JESGOQZMDKGIDS-OAHLLOKOSA-N 322.389 4.333 0 40 DIAB O=C1NN=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl 1397715 LDIYOSADHQQGOG-CYBMUJFWSA-N 319.191 4.001 0 40 DIAB COc1ccccc1NC(=O)NCc1cccc2ccccc12 1739133 AEEYBNGZOWLHGS-UHFFFAOYSA-N 306.365 4.170 0 40 DIAB COc1ccc(CSc2nnc(-c3ccccc3)o2)cc1F 3515806 VGYAMGQDWKCHOX-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 3549935 JMZSJOWMRGOORP-IBGZPJMESA-N 316.404 4.351 0 40 DIAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4543294 ZPLGHHKDFSJMIF-ZBEGNZNMSA-N 312.438 4.035 0 40 DIAB CCCOc1ccc([C@](O)(CCC)CCN2CCCCC2)cc1 4716297 SROKXKMTKYUSNU-FQEVSTJZSA-N 319.489 4.339 0 40 DIAB CCC(/C=C1\N=C(c2cccs2)OC1=O)=C\c1ccccc1 4854624 NXMUPYZQTPXALK-DZIWGARNSA-N 309.390 4.429 0 40 DIAB CC(=O)Oc1ccc([C@@H]2OC[C@H]3[C@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 5389440 SRZZJSRTPWVXAD-WZMPVENVSA-N 300.398 4.148 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 5951094 WBRHVWUXYQFGDJ-CQSZACIVSA-N 321.376 4.254 0 40 DIAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3ccsc3)o2)cc1 7225966 FFVQUCNSMHYICA-NSHDSACASA-N 314.366 4.025 0 40 DIAB CC(C)(C)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 8113385 FSLRWSMIBMHHNJ-HNNXBMFYSA-N 309.409 4.174 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(F)c1 8704550 BFEXVALVFPQRNN-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB CC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)s1 12824620 DCKFWWVJKFDEOZ-HNNXBMFYSA-N 315.438 4.468 0 40 DIAB FC(F)(F)[C@@H]1CCCN(c2ncnc3cc(Cl)ccc23)C1 12876633 CPYWFRREJPDHFL-SECBINFHSA-N 315.726 4.062 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1 13709179 NGYPTWROYLFVKV-HNNXBMFYSA-N 311.425 4.446 0 40 DIAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 19172551 IBIRLPFSRZAOIR-UHFFFAOYSA-N 311.381 4.224 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1C 20456321 DCQZUKXIMFHQQE-INIZCTEOSA-N 301.430 4.077 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)c3ccc4ccccc4n3)sc2C1 21797912 YMWWCZLNAAWTEV-LLVKDONJSA-N 323.421 4.068 0 40 DIAB CSc1cccc(NC(=O)CSCc2ccccc2F)c1 24064876 GITGPCFDESVPOI-UHFFFAOYSA-N 321.442 4.420 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 30757971 XMYSRLRDWKTKON-QFBILLFUSA-N 323.436 4.265 0 40 DIAB COc1ccc2ccccc2c1CNc1ncnc2ccccc12 31949099 GOOIAZGPJOBECY-UHFFFAOYSA-N 315.376 4.404 0 40 DIAB Oc1ccc([C@H](Cc2ccccc2)NCc2ccccc2)cc1 31962208 HBHRPCSKQCIYPB-NRFANRHFSA-N 303.405 4.466 0 40 DIAB Cc1ccc(-c2nc(CC(=O)N(C)c3ccccc3)cs2)cc1 32738559 DIWIRMJSPUJBGQ-UHFFFAOYSA-N 322.433 4.324 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 44899828 KKBZEIDGHGBAJR-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB c1ccc(SCCNC2(c3nccs3)CCCC2)cc1 72308880 KJVHTUYNEDZEJF-UHFFFAOYSA-N 304.484 4.294 0 40 DIAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1O 76273833 AVOLFDSMTAUQBZ-UHFFFAOYSA-N 316.159 4.459 0 40 DIAB CC(C)c1nnc(CN[C@@H](C)c2ccccc2C(F)(F)F)o1 95985436 PECXSDOJGKGCFH-JTQLQIEISA-N 313.323 4.063 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NCCSC(C)(C)C)cc1 113969397 WDWPVIRPYZCIEK-MRXNPFEDSA-N 323.502 4.054 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(O)C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118931151 AYKGDFHRLXZLQY-HSXTZPDUSA-N 304.474 4.061 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)cc2C)c1 225177398 YEKVSNHAPJXAQN-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225464407 FJGXCQIRTJVPHZ-JTQLQIEISA-N 322.380 4.021 0 40 DIAB C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(F)cc1 225472833 JJQXONIWOKJOEL-VIFPVBQESA-N 310.344 4.152 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1 225546265 YVTGKUXJEVKKOW-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB CC[C@@H](C(=O)NCc1ccnc(-c2ccco2)c1)c1ccccc1 225654376 ASPCQTRZTNVIHE-QGZVFWFLSA-N 320.392 4.152 0 40 DIAB O=C(NCc1cncc(-c2cccs2)c1)Nc1cccs1 225667822 XOLMJRHFNJHALS-UHFFFAOYSA-N 315.423 4.193 0 40 DIAB CCCOc1ncc(NC(=O)[C@](C)(CCC)OCCC)cc1C 225905993 LRGPXEQPJIRWKG-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352703 ZPTFKXGPIUKDPQ-UHFFFAOYSA-N 307.733 4.037 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccc(OC)cc3)c12 409204707 ILGFNNCLVLZPMW-UHFFFAOYSA-N 323.392 4.104 0 40 DIAB c1ccc(-n2nnnc2SCc2cccc3ccccc23)cc1 36155 OFKZUQHQKWIIAF-UHFFFAOYSA-N 318.405 4.108 0 40 DIAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccco1 1105728 LXWHBYVMSQFJPL-UHFFFAOYSA-N 305.333 4.038 0 40 DIAB CC1(C)CC(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)C1 4600285 WAGZHKIKUMJUGC-UHFFFAOYSA-N 309.365 4.159 0 40 DIAB CC[n+]1c(/C=C/c2ccc(OC)c(OC)c2)ccc2ccccc21 4792137 BVKSGJHHIPXEQF-FMIVXFBMSA-N 320.412 4.335 0 40 DIAB Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1 6370001 SYRXYXARGXMWHC-UHFFFAOYSA-N 317.344 4.331 0 40 DIAB aggregator O=C(CSCc1cccc(F)c1)Nc1ccc(Cl)cc1 7145928 WTIKYSHDFDCMBK-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB c1ccc2oc(CSc3ccc4c(c3)OCCCO4)nc2c1 7781223 RMYOHACCMQFSMG-UHFFFAOYSA-N 313.378 4.281 0 40 DIAB CCc1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1 7972666 QBULWNTTXMYJPH-UHFFFAOYSA-N 306.768 4.092 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c(C)c1 8041448 WIRJVPOJFJSZNF-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC[C@H]2CCCO2)n1 9575613 ZMYBGOCEHBTMCC-GFCCVEGCSA-N 313.426 4.191 0 40 DIAB CCc1ccccc1NC(=O)c1cc2ccc(OC)cc2nc1C 10444304 QSQCFFRLQMVOQY-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB CCOc1ccc2nc(Cl)c(CNCc3ccco3)cc2c1 12491737 RAQUQZGTZORMFB-UHFFFAOYSA-N 316.788 4.170 0 40 DIAB O=C(Nc1nnc(C2CCCC2)s1)c1cccc(Cl)c1 17247893 OPWWXIMRFQCBAO-UHFFFAOYSA-N 307.806 4.101 0 40 DIAB c1csc(-c2nnc(Cc3ccncc3)c3ccccc23)c1 19376157 VRWSKVBQJSENPL-UHFFFAOYSA-N 303.390 4.344 0 40 DIAB Nc1cccc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 19771792 SFGGUTMHKPYDBU-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 21358814 HRFOYEYQIAIWRH-ZDUSSCGKSA-N 324.405 4.216 0 40 DIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1 21840243 NLICJFIQTIEVDW-AXRAZBADSA-N 309.365 4.258 0 40 DIAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)cc2Cl)oc1C 24281225 ZKQIYWKUFYQBQS-UHFFFAOYSA-N 319.788 4.324 0 40 DIAB O=C(CCc1ccccc1)NCCSc1ccc(Cl)cc1 24605954 YQNOMTWOHALKFW-UHFFFAOYSA-N 319.857 4.181 0 40 DIAB Cc1cccc(C)c1NC(=O)c1csc(-c2cccnc2)n1 29047034 AHCBQWDBMHGSRK-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(CCCOc1ccccc1)Nc1ccc(N2CCCC2)cc1 31300546 HZUYARJYJXLKLA-UHFFFAOYSA-N 324.424 4.085 0 40 DIAB Cc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2C)c1 31912808 ITUOXWFUNWLYFR-UHFFFAOYSA-N 324.355 4.028 0 40 DIAB O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 32131001 ZXPLMKPRHWPRMQ-QFIPXVFZSA-N 317.432 4.422 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(Cl)cccc23)c1 34925924 JXZOESYFKNVMJV-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB Cc1ccc2sc(NC(=O)NCc3cccs3)nc2c1C 36709358 YJXJPABBAJRMEO-UHFFFAOYSA-N 317.439 4.296 0 40 DIAB C/C=C/C=C/C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 54325783 LOWXHSXSVXQKEQ-DSXPNFDZSA-N 324.405 4.305 0 40 DIAB CCCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213223 SOQNEISEGLNXGQ-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB CC[C@@](C)(NCc1ncc(-c2cccs2)o1)c1nccs1 72683017 RRGBDTGBDRQXLB-OAHLLOKOSA-N 319.455 4.275 0 40 DIAB CCc1cc(Br)c2oc(-c3cccc(N)c3)nc2c1 73639110 ILULWVJSUOEDGS-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB CSc1cc(C(=O)Nc2cc(C)on2)c(Cl)cc1Cl 89606762 XSSWVBGPDBWFCZ-UHFFFAOYSA-N 317.197 4.264 0 40 DIAB CCCn1nc(C)c(CNc2ccc(Br)cc2)c1C 89960639 PBUQBAKGZJEGJU-UHFFFAOYSA-N 322.250 4.285 0 40 DIAB Cc1ncsc1CN[C@@H](C)c1ccc(F)cc1OC(F)F 95421970 LSGQHKOWIFGMCD-QMMMGPOBSA-N 316.348 4.043 0 40 DIAB O=C(O)[C@](O)(C1CCCCC1)[C@@H]1CC[C@@H]2CC[C@H]3CCC[C@H]1[C@H]23 104133092 FTUOSGAHGSJYBU-VEBAAHATSA-N 320.473 4.235 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(OC)c2)cc1 113968884 GVQQOSDKEKPSJF-GOSISDBHSA-N 313.397 4.054 0 40 DIAB COc1cc(CN[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 195530576 VBJLJOVEFPWEFT-UCLAIMLFSA-N 303.446 4.008 0 40 DIAB CCc1cccc(C)c1NC(=O)C1(c2ccccc2)CCOCC1 224386354 YJQMFDBFSRNNGD-UHFFFAOYSA-N 323.436 4.244 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(C)cc1 224618735 FTGOYNGLZPINNL-SJLPKXTDSA-N 305.462 4.485 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225636514 JBTZNCJOBJEABQ-UHFFFAOYSA-N 307.437 4.317 0 40 DIAB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1C(C)C 409021350 CPDDTTFHGKWECW-RIYZIHGNSA-N 306.431 4.131 0 40 DIAB Cc1ccc2[nH]c(C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2c1C 522928199 ZTZAHVSCZQIZCY-UHFFFAOYSA-N 322.412 4.418 0 40 DIAB CO[C@H]1CN(C2CCCCC2)CC[C@@H]1Cc1ccccc1F 1615083470 AYGFYWWLPNXGKW-APWZRJJASA-N 305.437 4.038 0 40 DIAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(F)cc1 41693 HYDADZJZERKEJU-RUDMXATFSA-N 320.161 4.240 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 364905 ZWNPGCIMJGWHDG-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CC[C@@H]1CCCCN1[C@@H]1NC=Nc2sc3c(c21)CCCC3 376851 LFIIOFGRYMHEMQ-WBMJQRKESA-N 303.475 4.153 0 40 DIAB CCC[C@@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 544833 MVABJVCWQSCXSK-QGZVFWFLSA-N 307.397 4.143 0 40 DIAB CCOC(=O)C(C)(C)C(OP(OCC)OCC)=C(C)C 1718025 XWMHYJMXJMTBOB-UHFFFAOYSA-N 306.339 4.186 0 40 DIAB Cc1c(O)ccc(NC(=O)c2ccccc2Br)c1C 3074280 XLOCVVYQPDSNIT-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB O=C(OCc1c(F)cccc1Cl)c1ccc2ncsc2c1 3479289 OLVAYEATBCFMJW-UHFFFAOYSA-N 321.760 4.446 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881349 WRWBCPJQPDHXTJ-QMNUTNMBSA-N 304.474 4.061 0 40 DIAB N=C(COc1cc(Cl)ccc1Cl)NC1CCCCC1 4015684 OBDMKUVTCOXOQP-UHFFFAOYSA-N 301.217 4.272 0 40 DIAB Clc1ccc(CN2CCC(Cc3ccccc3)CC2)cn1 4089492 KYFFSHZEIIHEHK-UHFFFAOYSA-N 300.833 4.190 0 40 DIAB COc1ccc([C@H](CCNC(=O)c2cccs2)C(C)C)cc1 5055120 VROVGCLOFDJNSQ-MRXNPFEDSA-N 317.454 4.316 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ccccn1 7699844 LEDOMAHWQWJEBT-CYBMUJFWSA-N 300.427 4.326 0 40 DIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 7792206 FRRMATBFPFWQKB-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 8086093 OAEXTXKXPYEEQD-LBPRGKRZSA-N 310.784 4.379 0 40 DIAB Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)cs1 12798091 WKMUDEDXTJPECE-MRXNPFEDSA-N 312.438 4.091 0 40 DIAB Cc1ccccc1CSCC(=O)N1c2ccccc2C[C@H]1C 13671789 QSUCYDXSJVVCFL-OAHLLOKOSA-N 311.450 4.206 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C 16468833 DZGXTFBGNSHRAT-ZIAGYGMSSA-N 309.356 4.465 0 40 DIAB Nc1c(Cl)cc(NC(=O)CCc2ccsc2)cc1Cl 16489912 ITGYALZFBFIDQD-UHFFFAOYSA-N 315.225 4.208 0 40 DIAB CC(C)NCC(C)(C)N[C@H](Cc1ccccc1)c1ccccc1 19363886 ZLCYZVOOTXAXCK-HXUWFJFHSA-N 310.485 4.337 0 40 DIAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(N)c1 20343505 OXNCVZALYJZQKY-UHFFFAOYSA-N 316.404 4.348 0 40 DIAB C[C@H](Sc1ccc(F)cc1F)c1nc(-c2ccco2)no1 29740041 CUMGICXSPCNKOI-QMMMGPOBSA-N 308.309 4.461 0 40 DIAB FC(F)(F)c1cc(NC[C@H]2CCOC2)cc(C(F)(F)F)c1 32626832 BVTGTIHYDWVYGJ-MRVPVSSYSA-N 313.241 4.173 0 40 DIAB in-vitro O=c1[nH]c(CSCc2cccc(Cl)c2)nc2ccccc12 32891549 ZBHZQHCJIHLMEV-UHFFFAOYSA-N 316.813 4.010 0 40 DIAB CCOc1ccccc1Nc1cc(C(=O)OC)nc2ccccc12 38486573 MTHFDFDBMBFTAQ-UHFFFAOYSA-N 322.364 4.164 0 40 DIAB O=C(N1CC[C@H](c2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 38567113 XVRLLUVFDUGJOP-ILCGBQQYSA-N 309.453 4.219 0 40 DIAB CCc1noc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 69417363 BNVCFCIMIAMVRZ-DTWKUNHWSA-N 314.216 4.351 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1C 75437276 UADPVIDPHZOVGM-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB CCN(CCc1nccs1)C(=O)c1cc2ccccc2s1 89969232 WSTUBCJCGJTPEA-UHFFFAOYSA-N 316.451 4.063 0 40 DIAB C[C@](NCc1cnc(Cl)s1)(c1ccccc1)C(F)(F)F 95462588 TXENPBZZZGXYLJ-LBPRGKRZSA-N 320.767 4.364 0 40 DIAB CSc1ccc([C@H](O)c2cccc(Br)c2)cc1 95730248 ABNAPXAWFVSYHQ-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB Cc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 96137093 WSBWTWAQYUGOGI-MDZDMXLPSA-N 315.438 4.333 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSC(C)(C)C 113970921 NKTQNXSSOZBLFG-HNNXBMFYSA-N 323.502 4.109 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NC(C)(C)CC(C)(C)C 224432982 ZBGSOWQNWRNLMS-OAHLLOKOSA-N 305.462 4.483 0 40 DIAB CCC1(CC)C[C@H](NC(=O)C2CCCC2)c2ccccc2O1 224798882 HTVIFEACFBBGSO-INIZCTEOSA-N 301.430 4.375 0 40 DIAB Cc1ccc(S[C@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225026778 ZOCURGBBZVHPIU-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB CCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225269440 VLOIBECIHIKUDK-UHFFFAOYSA-N 302.468 4.285 0 40 DIAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226254428 OJJFIKZFQDOQPA-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 253617497 QGKQXZFZOIQFBI-CALFIEGDSA-N 306.490 4.141 0 40 DIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(CC)CC)OCC[C@@]31C2 257255110 KGDKQECHRVMVSZ-XXFFEUEESA-N 321.505 4.159 0 40 DIAB CC1=CC(C)(C)NC(=S)N1c1cc(Cl)cc(Cl)c1 194821 ANVUIGXJNQCVSJ-UHFFFAOYSA-N 301.242 4.370 0 40 DIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1Cl 430384 CTBVEQIPSDVXQF-ZROIWOOFSA-N 318.159 4.338 0 40 DIAB CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 574171 OZJQHWJWZWZWLL-UHFFFAOYSA-N 308.406 4.425 0 40 DIAB CC(=O)[C@@](CCc1ccccc1)(CCN(C)C)c1ccccc1 1577550 HIGLEGFIFRRHOW-OAQYLSRUSA-N 309.453 4.098 0 40 DIAB CCN1CCC2(CC1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 1577623 HNPJXEXYTWKYEH-WOJBJXKFSA-N 323.436 4.328 0 40 DIAB O=P(Oc1ccccc1)(N1CCCCC1)N1CCCCC1 1737424 DBAVIWNSKXQGOD-UHFFFAOYSA-N 308.362 4.145 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)OCC(F)(F)F 1753001 VFBPWPPACWLHSL-UHFFFAOYSA-N 321.604 4.470 0 40 DIAB O=C(c1ccc(F)cc1F)c1ccccc1CN1CCCCC1 2515531 RATOVUMEHYHWOU-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB CCN(C(=O)C(=O)c1c(C)[nH]c2ccccc12)c1ccccc1C 4163618 VIHDCLIUJRYKSJ-UHFFFAOYSA-N 320.392 4.021 0 40 DIAB O=C(c1cc(F)cc(Cl)c1)c1cccc(Br)c1 4241403 GUXIWNNWUHJRTE-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB CCCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 4731635 VYEGNRSVTSEXQC-UHFFFAOYSA-N 322.408 4.166 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O 4744089 AVCFDKPWPTVYSF-IESDJGKPSA-N 304.474 4.349 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)c(C)c1 5267947 YFUIZVIAQKPUMG-UHFFFAOYSA-N 310.422 4.403 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 5549195 SHSZNSUQZHBERG-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 5721415 JDEJBMLFPRIQEB-UHFFFAOYSA-N 320.483 4.174 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1 6543177 MWGIGDCFNGATCI-GOSISDBHSA-N 303.361 4.093 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)[C@@H]1C 6559278 SFXIUBLQLZXSLE-XJKCOSOUSA-N 321.848 4.244 0 40 DIAB CCCCc1nn2cc(-c3ccc(OCC)cc3)nc2s1 6748231 VQRDMBLMGHJSNJ-UHFFFAOYSA-N 301.415 4.199 0 40 DIAB CCCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 7668731 NNECFNFMRSCOPZ-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB O=C(CCc1ccc(F)cc1)N[C@H]1CCSc2ccccc21 8428034 FIFWFQHBEKJFDK-INIZCTEOSA-N 315.413 4.112 0 40 DIAB Cc1ccc(-c2nc(C)cc(Nc3ccccc3C(=O)O)n2)cc1 8702974 YRBZNQPTUHHMPD-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB COc1cccc2cc(/C=C/C(=O)Nc3ccccc3F)oc12 8704389 VEVSXQHUDJHHBK-MDZDMXLPSA-N 311.312 4.232 0 40 DIAB O=C1NC2=C(CCc3ccccc32)[C@@H](c2ccccc2Cl)N1 9356872 MPSVCBXKYMDXDB-QGZVFWFLSA-N 310.784 4.051 0 40 DIAB CC(C)[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 12525532 BUXITISMWBPAMD-CQSZACIVSA-N 323.425 4.377 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)NC1CCCCC1 12533116 BRCOMLCNXCBGML-UHFFFAOYSA-N 301.434 4.049 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C)o1 12992984 VNHBSBBFLIDKES-LFAOLKIESA-N 301.411 4.199 0 40 DIAB CC1=C(C)C[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 13424126 NEAOHZLVBJQPSH-TXEJJXNPSA-N 324.207 4.229 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 13932660 MINMBTQVANKHNG-SNVBAGLBSA-N 322.380 4.021 0 40 DIAB Clc1cccnc1SCc1nc(-c2cccs2)no1 14169481 ADZRSHHDIPMRSA-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB Cc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(F)c1 17135994 QHLYHQXBWSGBQH-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 18115213 KUKYRRUGZTVCTR-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB CCc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1 19926889 QVTUCTPSEXSQJF-KRWDZBQOSA-N 301.386 4.167 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2)cc1 20025682 OOPONQIVRUVKPE-SNVBAGLBSA-N 307.365 4.178 0 40 DIAB Cc1cc(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc12 20031629 PGOWBVSRSCXDPC-UHFFFAOYSA-N 317.310 4.377 0 40 DIAB CC[C@@H](NC(=O)Cc1ccccc1C)c1ccc(Cl)cc1 22491721 PITJHHRIWXEFHM-QGZVFWFLSA-N 301.817 4.458 0 40 DIAB Cc1nc2ccc(NC(=O)NCc3ccc(F)cc3)cc2s1 32923850 VSVBHUXGQFXOLC-UHFFFAOYSA-N 315.373 4.066 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)cc1F 40111465 CYJHXKJJYMLXNH-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2cccs2)o1 40139478 DDGLXBSMVNCDAR-STQMWFEESA-N 304.415 4.257 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1cccc(O)c1 47337082 CWTKJEHALYIUTQ-UHFFFAOYSA-N 312.413 4.488 0 40 DIAB CCSc1nnc(SCc2nc3ccccc3o2)s1 48355616 AIOHMLKNAKPOQJ-UHFFFAOYSA-N 309.441 4.084 0 40 DIAB CCCCCCOc1ccc(/C=C/C(=O)OCC)cc1OC 62714570 MTMPPVIHDAYFMX-ZRDIBKRKSA-N 306.402 4.231 0 40 DIAB COCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C(C)C 69537156 WEQDMQIOLPDWFR-UHFFFAOYSA-N 316.401 4.177 0 40 DIAB CCC(=O)N(CC)[C@H](c1ccc(Cl)cc1)c1cccnc1 71903076 ADSJVFRMLDXRAD-QGZVFWFLSA-N 302.805 4.083 0 40 DIAB N[C@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 72225796 VQWSTYMVPSIJGD-OAQYLSRUSA-N 315.420 4.214 0 40 DIAB C[C@@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccco1 95421800 KKZMMPPJNGWWSY-XIKOKIGWSA-N 314.335 4.393 0 40 DIAB FC(F)(F)SCCCNCc1cccc(C(F)(F)F)c1 95918397 IBZQMKFNHUHGDI-UHFFFAOYSA-N 317.298 4.438 0 40 DIAB Cc1cnc(CN[C@H](CCc2ccccc2)c2ccccc2)cn1 95967374 XYIPYUARQQEDOS-OAQYLSRUSA-N 317.436 4.249 0 40 DIAB O=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1 95976202 VGYDBIQPMFTFIF-NSHDSACASA-N 313.310 4.049 0 40 DIAB CCC[C@@]1(CCNC(=O)Cc2ccccc2)CCOC(C)(C)C1 96116038 GWHQTZWSVXHIJY-HXUWFJFHSA-N 317.473 4.111 0 40 DIAB biogenic CC(C)(C)OC(=O)n1ccc2c([C@H](N)c3ccccc3)cccc21 96509806 DJGXLJIGMKIIGC-GOSISDBHSA-N 322.408 4.473 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1cccc3ccccc13)C2=O 100576634 SOVGKWQRCJRBNZ-YWZLYKJASA-N 307.393 4.156 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 216457674 HBCBLBNAKVGLGC-UHFFFAOYSA-N 324.468 4.326 0 40 DIAB Cc1cc2nc(-c3ccc(Br)c(N)c3)oc2cc1C 216942145 YFJKNNYDPFPYAD-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB Cc1ccccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219475403 INCYFFIZMOZMPR-MRXNPFEDSA-N 317.479 4.377 0 40 DIAB Cc1cccc(CCCNC(=O)CCc2ccccc2Cl)c1 220015607 ANGFCZKAVCOSOT-UHFFFAOYSA-N 315.844 4.330 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 224139926 ATPXBTYKKJEPQJ-GFCCVEGCSA-N 317.816 4.402 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H](C)c1ccccc1 224437557 FFCTXUQTRBPYNU-APWZRJJASA-N 311.425 4.072 0 40 DIAB CC(C)c1ccc(CCCNC(=O)Cc2cccs2)cc1 225884978 CFLLSWKFRFNARM-UHFFFAOYSA-N 301.455 4.163 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccc(OC(C)C)cc2)cc1Cl 226349507 MTRFZONIAIUVHQ-UHFFFAOYSA-N 318.804 4.270 0 40 DIAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC)n1 585265760 QXPZWLIHSWJEPX-UHFFFAOYSA-N 305.761 4.061 0 40 DIAB CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1 507452 JTLLWYHHWFGIPB-UHFFFAOYSA-N 322.408 4.197 0 40 DIAB aggregator CCC(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1 1356478 HVVXRFYUIWQMQT-UHFFFAOYSA-N 323.849 4.258 0 40 DIAB CCCCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1808040 QPTRZIWUWCNSCT-UHFFFAOYSA-N 321.376 4.388 0 40 DIAB C[C@H](Cc1ccccc1)NCCCCN[C@H](C)Cc1ccccc1 3058789 WQJMQJVSPXMDNH-WOJBJXKFSA-N 324.512 4.208 0 40 DIAB CC(C)CN(C(=O)c1ccco1)c1nc2ccccc2s1 3298463 XZIWTBQNZALXNW-UHFFFAOYSA-N 300.383 4.192 0 40 DIAB Cc1ccc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)cc1 4057824 WLCCBPXXWAARAK-OAHLLOKOSA-N 306.365 4.391 0 40 DIAB Cc1cccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccccc2)S3)c1 4268666 JXPDWUFTHFJEIJ-HNNXBMFYSA-N 321.405 4.131 0 40 DIAB CCC(CC)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 4460462 JCXXBNGVYOOOJW-UHFFFAOYSA-N 323.849 4.276 0 40 DIAB Cc1ccc(-c2cnc(NCc3ccc(F)cc3F)n2C)cc1 4678529 YLOVZTLBHWHYAT-UHFFFAOYSA-N 313.351 4.286 0 40 DIAB CCCC(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl 4774810 WFZWYHBFEJHDDE-GFCCVEGCSA-N 323.651 4.020 0 40 DIAB Cc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC2(C)C)cc1 4891732 RTRQSYJDHVKIML-UHFFFAOYSA-N 322.433 4.004 0 40 DIAB Cc1ccc2[nH]c(CCCc3nc4ccc(C)cc4[nH]3)nc2c1 5446362 KWGYADUYGKCUOA-UHFFFAOYSA-N 304.397 4.231 0 40 DIAB Cc1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)s1 6210694 AOCKUDBGSSKMAW-WQLSENKSSA-N 302.786 4.030 0 40 DIAB CCOCCSc1nnc(Nc2cccc(C)c2C)s1 7742697 QULUVTBRRWVABW-UHFFFAOYSA-N 309.460 4.027 0 40 DIAB CSc1ccc(CN(C)C(=O)c2ccc(O)c(Cl)c2)cc1 7986181 XSVCIBACWCHKPM-UHFFFAOYSA-N 321.829 4.040 0 40 DIAB Cn1c(NCc2ccc(C(F)(F)F)cc2)nc2ccccc21 9261970 YTRNGEWNRMMGFY-UHFFFAOYSA-N 305.303 4.204 0 40 DIAB CC(C)[C@@H](NC(=O)NCCc1ccco1)c1ccc(Cl)cc1 9977180 BOFOLBWMAJFJCT-MRXNPFEDSA-N 320.820 4.172 0 40 DIAB COc1ccc2cc(C(=O)Nc3cc(C)ccc3C)c(C)nc2c1 10402063 VYNMGKZPWUQTSK-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1ccc(CSCCNC(=O)/C=C/c2ccsc2)cc1 12905485 KUIKZNGHECMZDH-VOTSOKGWSA-N 317.479 4.119 0 40 DIAB O=C(/C=C\c1cccc2ccccc12)NCc1ccc(F)cc1 12961358 ZMAYDKVLSYWYEM-RAXLEYEMSA-N 305.352 4.309 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccccc1 13708828 LQHJHSGCZYBTOB-JKSUJKDBSA-N 319.404 4.485 0 40 DIAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2ccccc2o1 13727935 DMAHGYWEGMMOQH-UHFFFAOYSA-N 322.339 4.026 0 40 DIAB COc1ccccc1NC(=O)c1csc(-c2cccs2)n1 14018756 HPKULOIXDDIVCJ-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 15186937 KSNBWMDWQXXNON-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CC(C)(C)c1noc([C@H]2CCN(Cc3ccccc3Cl)C2)n1 19084649 UFJKMROZPHQMIK-ZDUSSCGKSA-N 319.836 4.010 0 40 DIAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 19724412 LWYFBBYNHPGJFT-UHFFFAOYSA-N 304.708 4.060 0 40 DIAB O=C(c1ccco1)N(Cc1ccco1)Cc1ccccc1Cl 28228650 WYYNQUYRFWCUEK-UHFFFAOYSA-N 315.756 4.369 0 40 DIAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 28463468 VCYDWTQLMWCVCA-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB C[C@@H](NC(=O)CCOc1ccccc1Cl)c1cccs1 32816154 NWUXMILKTYZWLG-LLVKDONJSA-N 309.818 4.048 0 40 DIAB COc1ccc(NCc2ccc(OC)c(Br)c2)cc1 35038772 JHZVOJBAFCEXJM-UHFFFAOYSA-N 322.202 4.078 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 38716911 ZWIYPXILHMJLOE-UHFFFAOYSA-N 321.380 4.116 0 40 DIAB COc1cc(OC)cc(C(=O)c2cc(Cl)cc(Cl)c2)c1 43210133 LGIGQMVJTMVMAQ-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 44843494 IQFOVHLSDQKTRG-KBXCAEBGSA-N 315.388 4.169 0 40 DIAB O=C(C=C1CCCCC1)N(Cc1ccccc1)C[C@H]1CCCO1 56150392 CGRFSOPAQURJRP-LJQANCHMSA-N 313.441 4.085 0 40 DIAB Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c(C)o1 58194948 UUOICXHAZNZKCX-UHFFFAOYSA-N 312.291 4.123 0 40 DIAB CCc1cccc2c(Nc3cccc(C(=O)OC)c3)ccnc12 64874802 FUHLRQZTTDELFT-UHFFFAOYSA-N 306.365 4.327 0 40 DIAB C[C@@H](NC(=O)Nc1cccc(SC(F)F)c1)c1ccncc1 67356422 ROJSGNWIAQJCDP-SNVBAGLBSA-N 323.368 4.279 0 40 DIAB Clc1ccc2nc(SCc3nnc(C4CC4)o3)oc2c1 69565591 RGPRITKBYOKVRI-UHFFFAOYSA-N 307.762 4.034 0 40 DIAB Cc1cc(C)c([C@@H](O)c2cccc(Br)c2)cc1C 86493314 ODTPVIHTLWAYHY-INIZCTEOSA-N 305.215 4.456 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N2CCc3ccsc3C2)cc1 89639207 YMDWAIIBZZQMNJ-CYBMUJFWSA-N 317.479 4.122 0 40 DIAB Cc1cnc(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)o1 89702345 QWYCBEJIEFLSOR-FQEVSTJZSA-N 318.420 4.325 0 40 DIAB COc1cccc(CN(C)c2cccc(F)c2)c1OC(F)F 96003668 FFHJHAHXLDUKBP-UHFFFAOYSA-N 311.303 4.072 0 40 DIAB CC1=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=CC1=N 100089805 YDCMWLQSPFTWCS-UHFFFAOYSA-N 301.393 4.189 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 107327581 SVVAMOLHOWXEKZ-ITQYTPKQSA-N 313.441 4.185 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccn2nccc2c1 217958564 GGNQGLZDPCGEON-UHFFFAOYSA-N 321.167 4.285 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)c(C)c1 219490862 NMCRDJMQVJZQGA-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225278124 PGAVMOGYGAHDAI-YFHUEUNASA-N 315.457 4.191 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3C)N21 260788415 ZYDSTRKZULHDRE-JLSDUUJJSA-N 323.465 4.369 0 40 DIAB Cc1ccc(CSCC(=O)NC2CCCCCCC2)cc1 408574612 AFIPPTNKFQHUNZ-UHFFFAOYSA-N 305.487 4.457 0 40 DIAB CCCCOc1ccc(Cl)cc1C(=O)NCc1ccccc1 408587048 PQCAXPDRSIJQFX-UHFFFAOYSA-N 317.816 4.449 0 40 DIAB CCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)c2ccccc21 409109455 FEOJGWOLEUQCIX-UVTDQMKNSA-N 313.784 4.256 0 40 DIAB O=c1c(Oc2ccc(-c3ccccc3)cc2)nccn1C(F)F 574479338 NQJWBSXFHFWUJJ-UHFFFAOYSA-N 314.291 4.098 0 40 DIAB Nc1nnc(-c2ccccc2SCc2ccccc2F)s1 509253 FNZDRNMXXURPJW-UHFFFAOYSA-N 317.414 4.219 0 40 DIAB Cc1ccccc1NC(=O)C[C@@H](C)[C@H](CCC(C)C)C(=O)O 2306687 BIVPKPIKICYZDK-CABCVRRESA-N 305.418 4.097 0 40 DIAB CCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c(C)n1 2782300 QVNBIYQHIUNYEC-UHFFFAOYSA-N 317.477 4.319 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccc(F)c3ccccc23)cc1 3127165 BWQZAYCVQIXSOJ-CYBMUJFWSA-N 323.367 4.479 0 40 DIAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1 3615509 HRKZUQYDGNZZBZ-UHFFFAOYSA-N 320.319 4.276 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 4031747 PIENQCFYTHWGDE-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB CCc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 4179609 BTSXIOCBBWGMIG-INIZCTEOSA-N 312.438 4.043 0 40 DIAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 5598829 SJOUGUUIGLUFIH-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1OC 5680219 DDFOTFYHONYMTE-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB Cc1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1Cl 6478116 APKOTUATQQIEKZ-DHDCSXOGSA-N 315.731 4.132 0 40 DIAB Cc1nc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 7030587 BFLXWLJYWOFOHO-SFHVURJKSA-N 318.405 4.441 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccc2)cs1 7609289 ABYDTJVENVTUAJ-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB C[C@@H](NC(=O)CSC1CCCC1)c1ccc2c(c1)CCCC2 7817495 OIRFWQZGFIRWBY-CQSZACIVSA-N 317.498 4.418 0 40 DIAB O=C1Cc2cc(-c3csc(-c4ccc(F)cc4)n3)ccc2N1 8209422 FRYJGYBXCWXUTH-UHFFFAOYSA-N 310.353 4.111 0 40 DIAB O=c1[nH]c(SCc2c(F)cccc2Cl)nc2ccccc12 8395099 CDBFQJMZNZEXDI-UHFFFAOYSA-N 320.776 4.008 0 40 DIAB CCOc1cc(C=O)c(Sc2ccc(C)cc2)cc1OC 8729787 DFSNVDKSBWQPJJ-UHFFFAOYSA-N 302.395 4.366 0 40 DIAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 8776998 LNJSWDURLLJYGQ-OAHLLOKOSA-N 303.793 4.048 0 40 DIAB COc1ccccc1CNC(=O)N[C@@H](C)c1cc2ccccc2o1 9710861 RKVQCLJBEDEKHG-ZDUSSCGKSA-N 324.380 4.002 0 40 DIAB COc1ccccc1OCCC(=O)Nc1ccc(C)c(Cl)c1 15415219 RPVBKKAKPZDBTD-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)c1 17135449 XABWJLCLCMALRN-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@H](c2ccc(F)cc2)CC3=O)c1 20632827 YIIXULFZKKUJAQ-HNNXBMFYSA-N 320.367 4.233 0 40 DIAB COCc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 23122588 UMLKVJOKNBCCAT-UHFFFAOYSA-N 303.789 4.356 0 40 DIAB c1ccc(-c2nc(COc3cccc4cccnc34)co2)cc1 23377396 FXPQFFLFLMVDHP-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB N=C(N)Sc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 26422284 ZLXLWKUWAMEGSR-UHFFFAOYSA-N 301.802 4.474 0 40 DIAB CCCCNC(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28218952 JOXNYXHBVZXYNP-UHFFFAOYSA-N 322.412 4.006 0 40 DIAB C[C@@H](NC(=O)CCSC(F)(F)F)c1cc2ccccc2o1 40088836 AJINKQBQOJCASG-SECBINFHSA-N 317.332 4.253 0 40 DIAB COC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127250 XKPWQOCJYBQNIJ-UHFFFAOYSA-N 317.797 4.332 0 40 DIAB c1ccc(Oc2ccccc2NCc2nc(C3CC3)no2)cc1 55826486 OTGMAOBQEYXWAF-UHFFFAOYSA-N 307.353 4.351 0 40 DIAB CCN(C(=O)N[C@@H](C)CCc1ccc(OC)cc1)[C@@H](C)C(C)C 58168962 DOAXDFABNOUSBZ-HOTGVXAUSA-N 320.477 4.092 0 40 DIAB O=c1[nH]c(-c2cccc(O)c2)nc2sc(-c3ccccc3)cc12 60479532 OEYHPDDXRZAEIM-UHFFFAOYSA-N 320.373 4.024 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 62648389 NXXYSTIJCOUPGC-ZDUSSCGKSA-N 318.804 4.237 0 40 DIAB CCCCNc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72213665 VMZHCBLWAAUCLM-SFHVURJKSA-N 323.440 4.271 0 40 DIAB COc1ccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)cc1 73739949 CKRBVEIHVRQVJU-UHFFFAOYSA-N 315.376 4.283 0 40 DIAB Cc1nn(C(C)C)c(C)c1[C@@H](C)NC1CCC(OC(C)C)CC1 90771864 HSWGXCUIFIOZKJ-RWBZWWBESA-N 321.509 4.468 0 40 DIAB COc1cc2c(cc1OC)[C@H]1C[C@@H](c3ccccc3)CCN1CC2 95561613 SPYSWTOTYSJXHH-QFBILLFUSA-N 323.436 4.181 0 40 DIAB Cc1cc(-c2nnc(CN[C@H](C)C3CCCCC3)o2)c(C)o1 97373734 ARUXENWLFIOMIX-GFCCVEGCSA-N 303.406 4.005 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100892263 ITYQLDHQWCRICG-ROUUACIJSA-N 319.832 4.372 0 40 DIAB BrC1(Br)[C@]23CC=CC[C@@]12CCCC3 104130026 GSITYKYIQRKAAY-UWVGGRQHSA-N 306.041 4.383 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(F)c1 113969844 SULYDXSKAQRTJJ-QGZVFWFLSA-N 319.351 4.378 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225324107 RHFZGILALATDSM-LALPHHSUSA-N 312.240 4.231 0 40 DIAB CCC(C)(C)NC(=S)Nc1ccc(Br)cc1F 225644687 PLRDUORDOUTVFV-UHFFFAOYSA-N 319.243 4.063 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225673328 IZHNTFOSGXUBHO-IBGZPJMESA-N 319.445 4.318 0 40 DIAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C 225749443 NNTJQVYHXLVUHC-INIZCTEOSA-N 311.425 4.040 0 40 DIAB CCc1ccccc1NC(=O)c1snnc1-c1ccc(C)cc1 225773785 KORQMNROLHTNSU-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB O=C(NCc1nc(C2CCCCC2)cs1)[C@@H]1CC=CCC1 390830866 NYROFSJTMPIOMU-CQSZACIVSA-N 304.459 4.163 0 40 DIAB CC(C)c1c(C2CC2)[nH]c2ccc(OC(F)(F)F)cc2c1=O 685938673 YZQDPCNXSUYRDH-UHFFFAOYSA-N 311.303 4.428 0 40 DIAB O=C(NCc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775970355 DBCMVKMAEPSVCR-ROUUACIJSA-N 314.404 4.143 0 40 DIAB COC(=O)c1ccc2nc(C)cc(Nc3ccccc3C)c2c1 144061 DVJXWHRDFKRHGX-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB CCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 294149 NJBFFFXCEDJEFE-UHFFFAOYSA-N 303.431 4.040 0 40 DIAB CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccncc1 521434 HHDYYTVALIONSZ-HXUWFJFHSA-N 312.376 4.095 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc(C(C)C)cc1 539996 RHILRVWOEPWGFF-HXUWFJFHSA-N 322.408 4.358 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]1c1ccccc1 2737546 FEQBJIFBTZDROW-KBPBESRZSA-N 320.219 4.413 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CC=C(c2ccccc2)CC1 3491191 NGRUNFKWRSWUOL-UHFFFAOYSA-N 314.388 4.164 0 40 DIAB O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(Cl)c1 4628854 QPGREWQTGDWMHH-UHFFFAOYSA-N 310.784 4.061 0 40 DIAB C[C@@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)N1C1CCCCC1 4742965 NRUYMSXTSXGBII-DHIFELSQSA-N 321.464 4.328 0 40 DIAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 7608578 BUEPNGAUAHIISN-CQSZACIVSA-N 322.433 4.230 0 40 DIAB COCCOC(=O)c1c(C)nc2ccccc2c1-c1ccccc1 7847293 KPENORVFCSXYSM-UHFFFAOYSA-N 321.376 4.013 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 7971343 ITFMRDGFOAXANC-NSHDSACASA-N 315.438 4.442 0 40 DIAB CCC[C@H](N[C@H](C)C(=O)Nc1ccccc1F)c1ccccc1 9516827 CHHDCMJGHBBNQU-PBHICJAKSA-N 314.404 4.284 0 40 DIAB CN(C(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 10285084 IRSOGWLBYMESPI-XDJHFCHBSA-N 303.361 4.483 0 40 DIAB Cc1cc(-c2cnc(NC3CCCC3)nc2-c2ccoc2)on1 12252330 HTEVJLILMFZOHW-UHFFFAOYSA-N 310.357 4.055 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)COc1ccccc1F 12876519 FNAPPBYZXSOZNY-UHFFFAOYSA-N 323.367 4.016 0 40 DIAB COc1ccccc1Oc1ccc(NC(=S)NC(C)C)cc1 17460741 BBUIXINKDIQIPK-UHFFFAOYSA-N 316.426 4.182 0 40 DIAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccccc12 19772572 WXNHOVJLQRHMSU-UHFFFAOYSA-N 320.270 4.286 0 40 DIAB CC(C)c1ccc(-c2nc3cc(NC(N)=S)ccc3o2)cc1 20154510 BJHJTVCVBCHSLX-UHFFFAOYSA-N 311.410 4.274 0 40 DIAB CCc1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 20457392 QRZLFCVWRIYVPG-SFHVURJKSA-N 313.397 4.054 0 40 DIAB Cc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1 22071977 LPVNDYZYBXTWAT-UHFFFAOYSA-N 317.392 4.064 0 40 DIAB Cc1ccc(-n2c(S)nnc2-c2cccc(Cl)c2)cc1 36724593 ONUOZTZADWJJOL-UHFFFAOYSA-N 301.802 4.185 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)cc2c1 41306300 IHQTWNGZDROCTP-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB Cc1cccc(OCCn2c(=S)[nH]c3c(F)cccc32)c1 42897247 IFWIXSCJXMDYFM-UHFFFAOYSA-N 302.374 4.225 0 40 DIAB CCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2CC)cc1 45889411 MSDUKHWYFCPAAG-UHFFFAOYSA-N 312.413 4.181 0 40 DIAB CCN(C(=O)CCc1csc(C)n1)[C@H](C)c1ccc(F)cc1 71903475 UKGSCTFUYBHOHJ-GFCCVEGCSA-N 320.433 4.133 0 40 DIAB Cc1ccc2oc(S[C@@H](C)c3nc(C4CC4)no3)nc2c1 72626408 VHUAZORSWGHSFG-VIFPVBQESA-N 301.371 4.250 0 40 DIAB COc1cccc(-c2cnc(CNc3cccc(C(C)=O)c3)o2)c1 72910895 PIUHXZFKJAUOJH-UHFFFAOYSA-N 322.364 4.165 0 40 DIAB CC(C)[C@H](N[C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 75568186 JAVPQCZOXMYSHP-JXFKEZNVSA-N 310.441 4.391 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 113954240 AVMKDRRKMQTJGV-HNAYVOBHSA-N 323.436 4.210 0 40 DIAB COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 142279689 IDFSOCUPRSHPDU-CNUKMKQRSA-N 300.442 4.158 0 40 DIAB COc1cccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225100615 GBQYMZRALDEWCY-HNNXBMFYSA-N 322.813 4.137 0 40 DIAB CCOC(=O)c1ccc(Nc2ccc(Cl)cc2C)c(N)c1 225425735 NHFAVQOTXDAHLE-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB Cc1ccc(C)c(NC(=O)Cc2cccc(Br)c2)c1 225611941 RIFXHZPMUOHVKQ-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1ccccc1[C@H](NC(=S)Nc1ncccc1C)C(C)C 225762393 DZUAKARPAPBMHN-MRXNPFEDSA-N 313.470 4.382 0 40 DIAB Oc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 411255 JUUHRQYMRHYOHV-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB Cc1ccc2nc3c(cc2c1)c(NC(=O)C(C)C)nn3CC(C)C 1257316 BUIBSSAQUVFBLX-UHFFFAOYSA-N 324.428 4.143 0 40 DIAB O=C(O)/C(=C\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2333976 HLSYUHBGWCNCMX-VURMDHGXSA-N 314.209 4.007 0 40 DIAB COc1ccc(Nc2nc(Cl)nc(Cl)c2Cl)cc1 3043152 WPBSJWPBCQRNFZ-UHFFFAOYSA-N 304.564 4.189 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4081539 YWYQTGBBEZQBGO-XFHAOOBSSA-N 320.517 4.387 0 40 DIAB biogenic,in-vitro c1coc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 4511796 PJLZHUPJCREOEA-UHFFFAOYSA-N 318.361 4.266 0 40 DIAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCCC1 5171746 JZVCYUKGOCNJHU-UHFFFAOYSA-N 321.376 4.248 0 40 DIAB Cc1ccc(SCCC(=O)Nc2ccc(F)cc2F)cc1 5191395 UYIOZPBGPFKCGN-UHFFFAOYSA-N 307.365 4.394 0 40 DIAB Cc1ccc(Cl)c(Oc2nc3ccccc3n3cnnc23)c1 5426646 AXUMOWMKGRUXQH-UHFFFAOYSA-N 310.744 4.032 0 40 DIAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC 5558571 WTNKNWRYOROVMP-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1nc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2s1 5578328 LJDJPZVGKKSMIE-RUDMXATFSA-N 312.369 4.396 0 40 DIAB CCCN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 6246199 GTMNIQFCDOUBPH-IBGZPJMESA-N 304.393 4.134 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 6930366 FVRMEHSSXGOAGY-QMTHXVAHSA-N 300.229 4.231 0 40 DIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 7409050 XPYVVWBBRFHONO-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB CCc1nc2ccccc2n1CCOc1cccc(Cl)c1 7718650 FWVIFVPCAQHMKM-UHFFFAOYSA-N 300.789 4.331 0 40 DIAB O=C(CCc1cccs1)Nc1nc2ccc(F)cc2s1 7735004 FFEKVMOXBKAWLH-UHFFFAOYSA-N 306.387 4.068 0 40 DIAB CN(Cc1cccs1)C(=O)c1cc(C2CC2)nc2ccccc12 8231514 PPHNPVYHJVEWSP-UHFFFAOYSA-N 322.433 4.446 0 40 DIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1 8244053 OJXGXUWSYWHCRC-UHFFFAOYSA-N 316.813 4.222 0 40 DIAB COc1ccc2oc(-c3csc(NC(=O)C(C)C)n3)cc2c1 10883103 FFFDKJJVFMNTIY-UHFFFAOYSA-N 316.382 4.159 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 11212525 NRCMIVNIYCJWID-NRFANRHFSA-N 323.436 4.456 0 40 DIAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1)c1ccccn1 11914619 OCQSNDCSFIWTLX-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccccc1F)C(=O)O3 13227567 ISRNQPXXXYMRTL-UHFFFAOYSA-N 322.339 4.197 0 40 DIAB CC1=CC(=O)C[C@@H]2CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C 13520819 ANJQEDFWRSLVBR-YDSAWKJFSA-N 302.458 4.125 0 40 DIAB Cc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 14160474 UZDJIEXTLUDASY-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccccc1C 16241029 STBLARGUJMJTHU-CQSZACIVSA-N 314.454 4.441 0 40 DIAB Cn1cc(/C=C\[N+](=O)[O-])c2ccc(OCc3ccccc3)cc21 17107143 AJVIIUYASUNPSQ-KTKRTIGZSA-N 308.337 4.005 0 40 DIAB Fc1ccccc1CN[C@@H](Cc1cccs1)c1nccs1 19349515 DPRFBGDIIXOCLY-HNNXBMFYSA-N 318.442 4.417 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(OC(F)F)cc2)C1(C)C 22007370 MLQJCBXTOFLXOD-GJZGRUSLSA-N 323.383 4.143 0 40 DIAB CNc1nc2c(s1)[C@H](c1cccc3ccccc13)CC(O)=N2 61718233 ZWCKRXHETCOSRT-ZDUSSCGKSA-N 309.394 4.462 0 40 DIAB CCCC(CCC)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 68741360 MQRBJNNSNWVELI-UHFFFAOYSA-N 301.386 4.256 0 40 DIAB Cc1nc(CN2CCC(Nc3ccccc3Cl)CC2)oc1C 69351930 PDAYGFVCOLUEET-UHFFFAOYSA-N 319.836 4.021 0 40 DIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1CC(C)C 72218942 YTPFBLLRLMEPNK-SFHVURJKSA-N 301.478 4.173 0 40 DIAB CCOc1ccccc1NC(=O)c1cc2cccc(OC)c2o1 75485640 VDLQKUHEILVTAE-UHFFFAOYSA-N 311.337 4.092 0 40 DIAB COc1ccc(F)c(NC(=O)c2cc3ccc(C)cc3nc2C)c1 88226650 LWAVRAWEJBELCW-UHFFFAOYSA-N 324.355 4.252 0 40 DIAB C[C@H](Cc1nc2c(s1)Cc1ccccc1-2)n1cc(Cl)cn1 95427189 IPJUESLZCKLXDL-SNVBAGLBSA-N 315.829 4.368 0 40 DIAB CCc1cnccc1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 95468153 DUOWKMIZENGYAK-HXUWFJFHSA-N 320.436 4.326 0 40 DIAB CCOc1cc(C)ccc1CN[C@H](C)c1cnn(C(C)C)c1 95969297 MAWCCNLOHOTERM-OAHLLOKOSA-N 301.434 4.022 0 40 DIAB Cc1nc(CN(C)Cc2cccc(-c3ccncc3)c2)cs1 95982433 ZXYHEYDJMUAXAV-UHFFFAOYSA-N 309.438 4.146 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCCc2ccccc21 222991502 FXNHIHFYWASHBM-FQEVSTJZSA-N 323.436 4.440 0 40 DIAB Fc1cccc(NC(=S)NCCSCc2ccccc2)c1 225289624 SSWXUKDKWIEXFW-UHFFFAOYSA-N 320.458 4.046 0 40 DIAB Cc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225311646 SNDSUMKIDBQQJN-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB CC(C)Oc1cccc(NC(=S)NCc2ccc(F)cc2)c1 225445047 CEYUYTYTDXTTFD-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1 225729315 XMCBVBCJENOGIU-SFHVURJKSA-N 307.434 4.255 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccccc1C 225732412 BQNJLBWBSCQIID-GOSISDBHSA-N 311.425 4.122 0 40 DIAB c1cncc(-c2cccc(CNc3nc4ccccc4s3)c2)c1 547327713 DTEPYAYXGUVDPA-UHFFFAOYSA-N 317.417 4.970 0 40 DIAB COC(=O)c1ccc(F)cc1Nc1ccccc1Br 1857794252 NIONIHSJYQDCLS-UHFFFAOYSA-N 324.149 4.118 0 40 DIAB Cc1ccc(C(=O)C[C@@H](SC2CCCCC2)C(=O)O)cc1 44116 BCRWWNFDHMXULL-MRXNPFEDSA-N 306.427 4.087 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cc(C)nc3ccccc23)cc1 349358 NGLLLBFHLNZPHU-FMIVXFBMSA-N 318.376 4.204 0 40 DIAB C=CCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S 1209126 DZLRKAUAAYPGIG-PTNGSMBKSA-N 311.431 4.227 0 40 DIAB CCOC(=S)Sc1ccc2c(c1)-c1ccccc1C2=O 1638391 NBRTWNCGYVRNCS-UHFFFAOYSA-N 300.404 4.312 0 40 DIAB Cc1ccc(SC(=O)c2c(Cl)nc3ccccn23)cc1 3230514 NXUNSSNGSOSELQ-UHFFFAOYSA-N 302.786 4.229 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1ccc2ccccc2n1 3241207 LGEPDKTVIOSCHO-UHFFFAOYSA-N 320.373 4.202 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2ccccc21 3248684 RQJQIMXVXAFVEL-UHFFFAOYSA-N 304.393 4.080 0 40 DIAB O=C(O)[C@@](O)(C1CCCCC1)[C@H]1CC[C@@H]2CC[C@H]3CCC[C@H]1[C@H]23 5086009 FTUOSGAHGSJYBU-KLRHJPAYSA-N 320.473 4.235 0 40 DIAB COc1ccc(CCN[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1OC 5412179 NFFKFPDZEUOKMC-QKYXUNIQSA-N 317.473 4.051 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 5441635 ARWOXNJJHCEWTR-UHFFFAOYSA-N 322.408 4.073 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8050350 MLGPMYFVJQKWIP-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB C/C=C/C=C/C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8105379 SDBGGTLKEOZNDR-CQWVJGOLSA-N 312.438 4.135 0 40 DIAB Cc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2)o1 8917407 LTMAVOJCFPTVCA-UHFFFAOYSA-N 310.353 4.415 0 40 DIAB Cc1csc(NC(=O)c2sc(-c3cccs3)nc2C)n1 9315916 UUZNRFBUXMNFCK-UHFFFAOYSA-N 321.452 4.197 0 40 DIAB Cc1cc(C)cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1 9911045 AIWRVNWFSSGLKO-UHFFFAOYSA-N 310.397 4.004 0 40 DIAB CC(C)n1c(=S)[nH]c2scc(-c3cccs3)c2c1=O 13142740 FQKNGPJRHADCHQ-UHFFFAOYSA-N 308.453 4.430 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc3cccnc23)c1C 15835436 QSSFHLGYBULGQY-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 18008945 ZAFDECRCFKFNQD-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB C[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccccc1F 21917246 BUWHEANDYQHOLZ-CQSZACIVSA-N 310.372 4.048 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1C 22250754 KOJIAWYXFXEPMB-UHFFFAOYSA-N 301.411 4.368 0 40 DIAB CC[C@H](C)C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28218988 FALAHDXTTKYZQP-AWEZNQCLSA-N 307.397 4.069 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 30872350 VDGJAPCKRSTTEE-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1cnn(-c2ccccc2)c1 32768124 PNTCMQLICZNHSE-UHFFFAOYSA-N 317.392 4.003 0 40 DIAB CC(C)CN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccc(F)cc1 40150034 ANNXUYXMPICHKX-NSHDSACASA-N 320.330 4.117 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1 43209886 XSNKBXYKRMGQKC-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB COCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 58431536 MWHPEDSWIYVBAH-KBPBESRZSA-N 315.335 4.140 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 59351611 NLAOTBWMEAALRR-DLBZAZTESA-N 311.425 4.257 0 40 DIAB O=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1 66028859 BNGJZAHBHWTAIE-UHFFFAOYSA-N 317.388 4.162 0 40 DIAB O=C(Nc1ncc(Cl)cc1Cl)c1ccccc1Cl 89228956 HUMTWHWWVCEIHS-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1nc(C)c(CNCc2ccc(Cl)c3cccnc23)s1 89559238 TXLWKCYRAHFLBC-UHFFFAOYSA-N 317.845 4.251 0 40 DIAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102401735 BJUBBPPBWGPCOW-YEWFCNIMSA-N 308.425 4.032 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950949 CTZNUJIBAUPQPV-JBCDFXQESA-N 323.436 4.302 0 40 DIAB CC(C)C(NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)C(C)C 224868767 RAHLKWISBIXHBN-OAHLLOKOSA-N 317.473 4.130 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccccc1 245171770 XULKSIZPQGHCGO-OAHLLOKOSA-N 305.377 4.193 0 40 DIAB CCC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616338 ISWPTTUXTGXZAD-OCCSQVGLSA-N 305.418 4.041 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCOC2)o1 521393875 FKWFHJJFNHIRGE-BBRMVZONSA-N 324.380 4.257 0 40 DIAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)cc1 36312 PXZCEIOAFOYWAL-UHFFFAOYSA-N 312.800 4.102 0 40 DIAB Cc1ccc(C(=O)CCNc2ccc(Br)cc2)o1 58955 RKGNSHZNUQVICP-UHFFFAOYSA-N 308.175 4.035 0 40 DIAB COc1ccc(CNc2ccc(C)cc2)cc1Br 479302 JGZCSYSLWDXQDZ-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)c(C)c1 1265071 ABJUFHGNNXDRHN-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CCC[C@@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)OC[C@H]1CC 1666209 BOADCXBIQVHDFM-HICWGWBUSA-N 312.793 4.309 0 40 DIAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1713636 ZSDHSBCDXLZBGK-YSIASYRMSA-N 322.404 4.095 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 3524102 WNFQJTGGUOXHIL-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CCCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C 5136895 XZSBXPVKRWMNSN-UHFFFAOYSA-N 322.861 4.231 0 40 DIAB CCCNc1nc(-c2cc(C)n(-c3cc(C)on3)c2C)cs1 7844140 LYAMHLALKXSVHT-UHFFFAOYSA-N 316.430 4.336 0 40 DIAB c1ccc2c(c1)oc1c(SC[C@@H]3CCCCO3)ncnc12 8393360 RFUKQVCJKCQWFN-NSHDSACASA-N 300.383 4.037 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8493126 BBXRPWBDAHBUGH-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OC 10038294 YMIPNPDHODYUCQ-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)cc1 11595052 JHRYQTMVMJYRDP-UHFFFAOYSA-N 306.340 4.448 0 40 DIAB O=C(COc1cccc2ccccc12)N[C@@H]1CCc2ccccc21 13005493 XZNOBGFUCPTXTJ-LJQANCHMSA-N 317.388 4.022 0 40 DIAB CCN(CC)CCNCc1ccc(-c2ccc(Cl)cc2)o1 19371425 GINHCWKIPFCPGO-UHFFFAOYSA-N 306.837 4.031 0 40 DIAB O=C(Nc1cccc(-c2nnco2)c1)c1cc2ccccc2s1 24735997 GSYKJLFNLVXHDL-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB O=C(Nc1ccccn1)c1ccccc1OCc1ccc(F)cc1 32732253 NBBBQUHPGSKERS-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB Cc1nc(Cc2nnc(SCC3CCCCC3)o2)cs1 41293804 NQZHPSIUWKIBBW-UHFFFAOYSA-N 309.460 4.098 0 40 DIAB CC(C)c1nc(CC(=O)N2CCC[C@H]2c2ccsc2)cs1 44940758 QNVOSQOHDPCWTJ-AWEZNQCLSA-N 320.483 4.234 0 40 DIAB Cc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccccc3)cc2c1 48314179 CNQKUNOUYUAROO-CQSZACIVSA-N 304.393 4.343 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 49153189 HWKFAEVJPVTXFF-KFKAGJAMSA-N 315.457 4.054 0 40 DIAB Cn1ccc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc21 61721329 DNNQQVVNNILSOC-UHFFFAOYSA-N 318.420 4.198 0 40 DIAB Cc1ccsc1CN(C(=O)c1onc2ccccc12)C1CC1 67713282 AHMIBCNSOSKADW-UHFFFAOYSA-N 312.394 4.003 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1 84622031 ZAQNGHOPVZGZNY-JTQLQIEISA-N 324.833 4.075 0 40 DIAB CC(C)(C)c1nnc(CSCc2nc3ccccc3s2)o1 95412874 CEPMHJNFANFYGV-UHFFFAOYSA-N 319.455 4.410 0 40 DIAB C[C@@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 96478834 RAEJFVAKNNPRJS-QGHHPUGFSA-N 306.331 4.301 0 40 DIAB COC(=O)[C@](F)(c1ccc(-c2ccccc2)cc1)C(F)(F)F 98174818 XWNZNFPGTHXSOE-OAHLLOKOSA-N 312.262 4.254 0 40 DIAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118919157 QGKQXZFZOIQFBI-PEVIDRIHSA-N 306.490 4.141 0 40 DIAB COc1cccc(NC(=O)NCc2ccc3ccccc3c2)c1 222824511 FTZJNOKDYIYUQY-UHFFFAOYSA-N 306.365 4.170 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(C)c1 224436895 OSHPFWNBNRFQHA-FUHWJXTLSA-N 305.462 4.485 0 40 DIAB Cc1cccc(CCCNC(=O)c2ccc(C)cc2Cl)c1 225002115 MAHVEMMCODGNEZ-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 225347005 IKPGIDCIZJNNDI-RWSFTLGLSA-N 312.240 4.231 0 40 DIAB COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCCC1 225631942 ZWFPXMBJXTZUCD-UHFFFAOYSA-N 319.445 4.460 0 40 DIAB COc1cc(OC)cc(-c2nc3cc(-n4cccc4)ccc3o2)c1 226247746 IPQGCSZKESODMG-UHFFFAOYSA-N 320.348 4.303 0 40 DIAB O=C(Nc1ccccc1Cl)c1ccnc(OC2CCCC2)c1 252485034 GMTUUHRBVOBOOP-UHFFFAOYSA-N 316.788 4.309 0 40 DIAB O=C(CCCOc1ccc(Cl)cc1)NC1CCCCCC1 408706426 RKNGLJZKDKPBDJ-UHFFFAOYSA-N 309.837 4.338 0 40 DIAB Nc1nnc(/C(=C/c2ccccc2Cl)c2ccccc2)s1 408718015 BRQFKNSECWAALZ-JLHYYAGUSA-N 313.813 4.363 0 40 DIAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1Cl 408722126 OVZMFLSAGZBTMO-UHFFFAOYSA-N 307.736 4.294 0 40 DIAB CC1CCC(OC(=O)CCC(=O)Nc2ccc(Cl)cc2)CC1 136030 DQQJYMVKPKXYGQ-UHFFFAOYSA-N 323.820 4.181 0 40 DIAB CCOc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 3363872 QJFOPNOLIOPAPA-IYJAJMOOSA-N 301.430 4.030 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1cccc(F)c1 3551992 JPQXHMWIQNVTHZ-VOTSOKGWSA-N 319.763 4.448 0 40 DIAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(F)c1 4471067 CMBKPKHZUSNLAP-WQRHYEAKSA-N 317.319 4.323 0 40 DIAB CCCCOc1cccc(C(=O)Nc2cccnc2Cl)c1 4741159 AUVMKSTZQVKKCN-UHFFFAOYSA-N 304.777 4.166 0 40 DIAB CCCN1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O 6656139 FOBPAGUNCKNZHX-GXDHUFHOSA-N 320.458 4.306 0 40 DIAB CCOc1ccccc1NC(=O)c1ccccc1SCC 6845741 XRUCGEOQUJDABR-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB CCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 7262362 VJIWBVKZPQJPIR-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB CNc1nnc(SCCOc2ccc(C(C)(C)C)cc2)s1 9054114 ITDPDLXBDPYINM-UHFFFAOYSA-N 323.487 4.048 0 40 DIAB CCn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 9361341 KLZWDELKQQKWSK-UHFFFAOYSA-N 322.412 4.123 0 40 DIAB CCOc1cccc(NC(=O)CCSc2ccccc2)c1 10294142 PCRNVGSIVBYIQD-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB COc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 12786408 BIOIQUZWTJTSRW-FMIVXFBMSA-N 319.404 4.024 0 40 DIAB CN(C)C1(CNC(=O)c2ccc3ccccc3c2)CCCCCC1 12863659 WZDHKTJWEDLPSF-UHFFFAOYSA-N 324.468 4.224 0 40 DIAB O=C(Nc1cccc2ncccc12)c1ccccc1OC(F)F 13011863 WCSFFLGNPKCSJV-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB COc1ccc(OC)c(CC(=O)Nc2ccc(C(C)C)cc2)c1 20447798 CAPVWPIBQMYKHH-UHFFFAOYSA-N 313.397 4.008 0 40 DIAB Cc1cccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)c1 28303825 PVNXUJMPNSYMCE-MRXNPFEDSA-N 304.393 4.277 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1C 32476813 ADMICGKWKPTAHJ-VQIMIIECSA-N 323.436 4.265 0 40 DIAB CCc1cccc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 32753262 IDTRYOQLBSGOAJ-ZDUSSCGKSA-N 312.413 4.080 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](c1cccs1)C(C)(C)C 32915466 XMWGLDNUTFJVFH-BBRMVZONSA-N 317.454 4.419 0 40 DIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)NC1CCCC1 44441873 CLNWERKKAZFRND-UHFFFAOYSA-N 320.396 4.294 0 40 DIAB Cc1ccccc1Cc1cnc(NC(=O)c2ccoc2C)s1 47183958 MZBDWNHIQJOESM-UHFFFAOYSA-N 312.394 4.196 0 40 DIAB O=C(CSCc1ccc(F)cc1)NCCC1=CCCCC1 58685691 FFSNMWQBCWBWHG-UHFFFAOYSA-N 307.434 4.066 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(F)cc1 60886352 IKMVMYUMAFOFDI-UHFFFAOYSA-N 305.780 4.070 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)o1 65474588 PUPQXHSAPMVSTR-QYAHAEFKSA-N 314.410 4.389 0 40 DIAB CC(C)N(Cc1cccnc1)C(=O)Nc1cccc2cnccc12 67474577 FVFMGMHBDMQLQT-UHFFFAOYSA-N 320.396 4.072 0 40 DIAB CC(C)[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 76453012 GMTXKGOKAOYMMR-OAHLLOKOSA-N 324.758 4.140 0 40 DIAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1CCc1ccccc1 84528452 PNEPHRMAAHLCMZ-NRFANRHFSA-N 319.448 4.413 0 40 DIAB O=C(Nc1cncc2ccccc12)[C@H]1CSc2ccccc21 89762386 CCYVTNWHEUMXNO-HNNXBMFYSA-N 306.390 4.063 0 40 DIAB COc1ccc(/C=C/C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 100744416 YUNPEDDTJNLGFQ-PJKAHKDKSA-N 313.441 4.136 0 40 DIAB CCc1onc(C)c1NC(=O)Nc1sc(C)nc1CC(C)C 162880398 JEHJCZSLANTXPY-UHFFFAOYSA-N 322.434 4.153 0 40 DIAB COc1ccc(CSCC(=O)NC(C)(C)CC(C)(C)C)cc1 223431667 XDVTVQJVMHZCPK-UHFFFAOYSA-N 323.502 4.259 0 40 DIAB CCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1C 225095118 TWJAPGXDCLNVMW-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCCCCC1 257173581 RFSRZSOGALZSQP-UHFFFAOYSA-N 312.388 4.212 0 40 DIAB CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)c2ccccc21 409111027 ABLJMZOLTYHRIF-ATVHPVEESA-N 323.392 4.001 0 40 DIAB CC[C@@H](C(=O)NCc1ccc(-c2ccco2)o1)c1ccccc1 575609012 MXUOYDLCCIIZLQ-MRXNPFEDSA-N 309.365 4.350 0 40 DIAB COc1ccc2nc(NC(=O)/C=C/c3ccc(C)cc3)sc2c1 145554 ZQTOBMRPCZTTBM-JXMROGBWSA-N 324.405 4.265 0 40 DIAB COc1cc(OC)cc(C(=O)Nc2cccc3ccccc23)c1 252046 ZHPGEHXFIZUKNP-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB Cc1cc(C)c2cc(C)c(SCC(=O)OC(C)C)nc2c1 419214 RTKNPSRTFFCLIR-UHFFFAOYSA-N 303.427 4.204 0 40 DIAB CCOc1ccccc1NC(=O)CSCc1ccccc1F 1290530 ZMSFRXBTTQJLAK-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB CN(C)C(C)(C)CCCNc1ccnc2cc(Cl)ccc12 1710682 TXVMRZAZIHDTHA-UHFFFAOYSA-N 305.853 4.421 0 40 DIAB CCCCCCc1c(C)c2ccc(OC(C)=O)c(C)c2oc1=O 1902775 NMUNDMYUQUORFB-UHFFFAOYSA-N 316.397 4.458 0 40 DIAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)c(Cl)c1 2622223 SCOADEIGSAZJAK-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB CSc1cccc(NC(=O)c2ccc3ncsc3c2)c1 2627390 KHJWDFSESRWSEG-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB CCOc1ccccc1NC(=O)CSc1ccc(C)c(C)c1 2660255 CPFHYMZVKBVHQY-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB Cc1ccc(NC(=O)c2cc(C)oc2C)c(Br)c1 3335686 PGXMRZZXLRELDX-UHFFFAOYSA-N 308.175 4.220 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)s1 3430946 YASQYRDNQGAMSB-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB CCCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 3666845 WJYDNJLYUMJPFA-UHFFFAOYSA-N 323.849 4.301 0 40 DIAB Cc1cccc(C)c1NC(=O)Nc1ccccc1-n1ccnc1 4025630 NZURLXJRFWJKIH-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccco1 4135305 PITBRVMASAQJTP-UHFFFAOYSA-N 304.305 4.340 0 40 DIAB Cc1cc(NC(=O)C(C)C)cc(-c2nc3ccccc3o2)c1O 4736800 ODEBWGPSMGVGEV-UHFFFAOYSA-N 310.353 4.103 0 40 DIAB O[C@H](C1=C/C(=C\c2ccncc2)c2ccccc21)c1ccncc1 4824118 JTMFJLXJCCVSIM-ZDJZVTAXSA-N 312.372 4.148 0 40 DIAB in-vitro Cc1noc(C)c1COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 4890159 IVCKZOVDFLDHGB-UHFFFAOYSA-N 324.380 4.009 0 40 DIAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 5601790 UFWQMIYTFJVLOX-GFCCVEGCSA-N 307.390 4.140 0 40 DIAB COc1ccc(NC(=S)Nc2ccccc2OC)cc1Cl 6625276 LVNGCPCRWHEVIZ-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB Cc1nc(Nc2cc(Cl)cc(Cl)c2)sc1C(=O)O 8015527 JKSNINUEBCWJDP-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB O=C1Cc2cc(-c3csc(Nc4ccccc4)n3)ccc2N1 8208264 JPCKLWGXMLXGMQ-UHFFFAOYSA-N 307.378 4.048 0 40 DIAB Cc1ccc(N(CC(=O)c2ccccc2)C2=NCCCS2)cc1 8411766 FKGMWZVZEDZVJM-UHFFFAOYSA-N 324.449 4.177 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2Cl)c1 8480490 ZPNKMIIBQWYMIY-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC(C)CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 8560402 XYFDBTUZMNHPQE-UHFFFAOYSA-N 321.380 4.388 0 40 DIAB COc1cc(Cl)c(NCc2nc3ccccc3o2)cc1OC 11101930 UEXXVGAXVWIROG-UHFFFAOYSA-N 318.760 4.111 0 40 DIAB Cc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1C 12493392 OVWZLJVIAQLSJW-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB CN(C)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 13798675 VSVUKGSDGQYFPK-UHFFFAOYSA-N 305.834 4.215 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 13932677 JHQUWQWXEFVCIT-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB CC(C)c1ccc(-c2noc(CN(C)c3ccccc3)n2)cc1 15255886 KLVMXBJMKMCUNQ-UHFFFAOYSA-N 307.397 4.496 0 40 DIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccccc1 20039610 KPRXFHBRVCRRKF-ZWKOTPCHSA-N 311.425 4.420 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20107596 SJZGJFLGNIQFEH-VXGBXAGGSA-N 321.779 4.124 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC(C)(C)C 22533441 CIWNIHBCIBBHKL-MRXNPFEDSA-N 323.502 4.109 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 22907847 CUYKGFDCPLVFEB-CQSZACIVSA-N 301.361 4.157 0 40 DIAB c1ccc(-c2cnc(CN3CCSc4ccccc43)o2)cc1 23992186 KHROLJNLCZFKGX-UHFFFAOYSA-N 308.406 4.454 0 40 DIAB CCOc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1 27749674 GORLFLUQCOHCDZ-UHFFFAOYSA-N 322.364 4.017 0 40 DIAB CCN(CCCNC(=O)c1cc(C)c(C)s1)c1ccccc1 29955614 YFACMVQMUWTTFF-UHFFFAOYSA-N 316.470 4.011 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 30996685 JSDNCRYLPFROSW-OAHLLOKOSA-N 302.377 4.069 0 40 DIAB O=C(/C=C/c1ccccc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32093957 FKPIRYFURNJJDV-YRNVUSSQSA-N 316.404 4.372 0 40 DIAB Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 37867772 BLRMPCRPEUSYSX-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB C/C(=C\c1c[nH]c2ccccc12)c1noc(-c2ccccc2O)n1 40285290 KBUCNAGGERJHPH-ZRDIBKRKSA-N 317.348 4.484 0 40 DIAB C[C@H](c1ccccc1Cl)N(C)Cc1nc(-c2ccco2)no1 52162655 MKRLTKDTCSDDSY-LLVKDONJSA-N 317.776 4.176 0 40 DIAB Cc1cc(C)c(C)c(OC(=O)[C@@H](c2ccccc2)n2cccn2)c1 64897395 GPLSRVHLMKOQMJ-LJQANCHMSA-N 320.392 4.003 0 40 DIAB CCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 67261440 HGYLSGCDAITQBY-UHFFFAOYSA-N 323.787 4.030 0 40 DIAB CCCCOC(=O)c1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 70462595 DSCDKTDWAHPFLY-LBPRGKRZSA-N 324.852 4.258 0 40 DIAB CCOCCNc1c(C)c(C)nc2ccc(Br)cc12 78903784 OGJVIDGRUOTKOB-UHFFFAOYSA-N 323.234 4.063 0 40 DIAB Cc1ccnc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 79440801 SVAKRXVBHHXRDM-CQSZACIVSA-N 322.474 4.129 0 40 DIAB O=C(NCc1ccccc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80343968 VRNGUAWVAIAHOW-CVEARBPZSA-N 320.219 4.413 0 40 DIAB CC1(C)CC[C@H](NCc2cccc3c2OCO3)c2ccccc21 84673359 YMFWDXDBFAJRQD-KRWDZBQOSA-N 309.409 4.318 0 40 DIAB Cc1ocnc1CNc1nc(-c2ccsc2)nc2ccccc12 89556282 UPCBYMBHRYSQQV-UHFFFAOYSA-N 322.393 4.267 0 40 DIAB CCO[C@H](C)c1nc(C(=O)O[C@H](C)c2cccc(F)c2)cs1 95399931 GLOGLPGABDXKHX-GHMZBOCLSA-N 323.389 4.298 0 40 DIAB COc1ccc([C@H](Nc2nccc(C)n2)c2ccc(F)cc2)cc1 95960464 HUZQHAGPVJCAOA-GOSISDBHSA-N 323.371 4.134 0 40 DIAB C[C@H](NC[C@@](C)(O)c1cccs1)c1cc2ccccc2o1 95968313 PLLXCXITFDWIDE-YVEFUNNKSA-N 301.411 4.053 0 40 DIAB CCN(CC)C(=O)c1cccc(OCc2ccccc2Cl)c1 196480885 OSLMUNBTDHARFU-UHFFFAOYSA-N 317.816 4.401 0 40 DIAB O=C(Cc1ccsc1)N1CCS[C@H](c2cccs2)CC1 219517483 NXZNHFCNIXYGKU-AWEZNQCLSA-N 323.508 4.059 0 40 DIAB COc1ccc(CCC(=O)NCc2cccc3ccccc23)cc1 222897845 NZJMSVXIBWDLBM-UHFFFAOYSA-N 319.404 4.097 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223219199 HMMYPVPBJDEJTK-HOCLYGCPSA-N 303.446 4.429 0 40 DIAB CCOC(=O)c1sc(Nc2ccc(Cl)cc2C)nc1C 223452499 JYMGRBVNPBCWTR-UHFFFAOYSA-N 310.806 4.334 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccccc1Cl 224290601 QYIGQXPQBNJHJX-UONOGXRCSA-N 311.853 4.440 0 40 DIAB O=C(O)[C@H](Cc1cccc(Cl)c1)Oc1ccccc1Cl 225058353 IENSPRDTMZAXTF-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@H](C)C1 225633226 VFMCPGCDAILXKP-KBXCAEBGSA-N 305.418 4.008 0 40 DIAB Cc1cc(C)c(NC(=O)c2snnc2-c2ccccc2)c(C)c1 225760759 LVMSFZFUORSVAC-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCC1 225829258 BCHCSJOJBQINTE-UHFFFAOYSA-N 313.397 4.136 0 40 DIAB COc1cccc(NC(=O)N2CC3(CC(c4ccccc4)C3)C2)c1 1775970876 TWXKGFLEGKBKDW-UHFFFAOYSA-N 322.408 4.107 0 40 DIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1C 1099216 KKQJWTXKKKCRRH-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB Cc1cccc(S[C@@H]2CCS(=O)(=O)c3sccc32)c1 1398511 FRZYCRFWIPAMPC-CYBMUJFWSA-N 310.465 4.067 0 40 DIAB CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1C 1822592 QYXUNJISOHLWSO-UHFFFAOYSA-N 306.409 4.427 0 40 DIAB O=C(/C=C/c1cccc(Br)c1)NC1CCCCCC1 3602933 ASYGEDNVHSVFTP-ZHACJKMWSA-N 322.246 4.301 0 40 DIAB Cc1ccc(-c2cnc(NCc3cccc(F)c3)n2C)cc1C 4678881 SJDXOEKGOSIFDR-UHFFFAOYSA-N 309.388 4.455 0 40 DIAB Cc1ccccc1Nc1nc(C(=O)NC2CCCCC2)cs1 4687863 GCEGNNSTZMWSDQ-UHFFFAOYSA-N 315.442 4.258 0 40 DIAB C[C@@H]1Cc2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 5029679 HTUIKPYRGODLDO-FMTVUPSXSA-N 324.376 4.104 0 40 DIAB biogenic COc1ccc(SCC(=O)Nc2ccc(Cl)cc2)cc1 5240833 FLLPFOSDGDGMRB-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB COc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2)cc1OC 6007172 ATRDRQNQCQXGPL-WMZJFQQLSA-N 317.772 4.009 0 40 DIAB CCOc1ccc(Cl)cc1CNCc1ccc(OC)cc1 7538497 XIKDDWHXLBTDKB-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB O=C1Cc2cc(-c3csc(NC4CCCCC4)n3)ccc2N1 8326374 ZLERTFDCSVYMAP-UHFFFAOYSA-N 313.426 4.049 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1cccs1 12783861 OVKBJCFTWOJPBR-NWDGAFQWSA-N 323.845 4.355 0 40 DIAB CCCCN(C)C(=O)c1cc(-c2ccccn2)nc2ccccc12 16740423 CSYPHCTVVQPOME-UHFFFAOYSA-N 319.408 4.169 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N)cc2C)c1 19736368 HEOMJAPZVRVQCV-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB NC(=O)c1ccc(COc2ccc3oc4ccccc4c3c2)cc1 22005516 GAKSBXVFRGWQFG-UHFFFAOYSA-N 317.344 4.264 0 40 DIAB Cc1ccc(-c2cc(CN3CCc4sccc4C3)on2)cc1 32913829 CHTDCDJUJWEGHO-UHFFFAOYSA-N 310.422 4.270 0 40 DIAB O=C(Nc1nccs1)c1cc(Cl)c(Cl)cc1Cl 38830340 HHDWHWPGUSGQKV-UHFFFAOYSA-N 307.589 4.356 0 40 DIAB Clc1cccc(OCCSc2nnc(-c3ccco3)o2)c1 40033983 VWVZRMMIIDIUEM-UHFFFAOYSA-N 322.773 4.154 0 40 DIAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1F 61120211 VMDKDBRIXFZUBL-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC(C)C[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 71283529 JMAWOAJSYFEYEU-LBPRGKRZSA-N 305.422 4.193 0 40 DIAB Fc1cc(F)cc(NC(=S)Nc2ccc(F)c(F)c2)c1 71761034 IOVOBXCKEFJLHG-UHFFFAOYSA-N 300.280 4.052 0 40 DIAB O=C(NCc1ccccc1C(F)(F)F)c1ccccc1Cl 72331439 HCTCYHQSHSLITR-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 75333100 BPRIYQZTTCZGDW-UHFFFAOYSA-N 323.465 4.131 0 40 DIAB Clc1ccc2nc(Nc3ccc4c(c3)OCO4)sc2c1 89065167 IIGWJJUGZKPURW-UHFFFAOYSA-N 304.758 4.422 0 40 DIAB C[C@H]1C[C@@H](C)CN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 106544687 AXCDKTZXGSMHMO-FRRDWIJNSA-N 319.836 4.429 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223219118 JRZIODGUNWWWTN-WMLDXEAASA-N 303.446 4.429 0 40 DIAB CCCCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 224053704 OQYRVTIIXUMPKF-UHFFFAOYSA-N 319.408 4.467 0 40 DIAB CCCN(CC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225005374 WRDZZYFWTKAWNO-UHFFFAOYSA-N 319.788 4.433 0 40 DIAB COc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225103085 RGDBYDSPIRHMGM-HNNXBMFYSA-N 322.813 4.137 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2ccccc2F)c1 225391487 DMKPMPBZMIXMBP-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 225423897 HNBGKSQNNXZSAT-UHFFFAOYSA-N 319.807 4.159 0 40 DIAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCC1 225707644 PXJFKWPGIYERBP-UHFFFAOYSA-N 319.445 4.318 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 227144649 GZPHTJMEITZTRH-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(O)cc1 254793913 ZHSLPLLHBMGXFG-UHFFFAOYSA-N 310.422 4.483 0 40 DIAB Cc1ccc(-c2c(-c3ccccc3)oc3ncnc(N)c23)cc1 408976787 SDVQUJAIQFCIKR-UHFFFAOYSA-N 301.349 4.447 0 40 DIAB COC(=O)c1sc2ccccc2c1NC(=O)C1CCCCC1 190402 QLXDHRSPQZRVSY-UHFFFAOYSA-N 317.410 4.207 0 40 DIAB CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 193080 CDHZUFZVAFBDBU-SKDRFNHKSA-N 315.196 4.213 0 40 DIAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1 578624 RIROOOUOYJLHEU-UHFFFAOYSA-N 315.328 4.199 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3[C@H]1CC=C(C)C[C@@H]1C 1323090 SSBXMBLMSWKYIH-RFUYNDQBSA-N 310.441 4.356 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1csc(-c2cccs2)n1 1385563 CSJRASZCKXEKGQ-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB CC(C)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 3346976 RLFCZDSGUURYHT-UHFFFAOYSA-N 324.453 4.452 0 40 DIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCC1 3378582 KTLLFPSVEJGISK-UHFFFAOYSA-N 308.353 4.217 0 40 DIAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)cs2)c(C)c1 3413779 HJNNYELPYGGSDZ-ZDUSSCGKSA-N 320.483 4.496 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3548841 LGMKCGOABXSMRU-NSHDSACASA-N 321.829 4.468 0 40 DIAB CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(F)cc1)=NO2 4871585 MTIUZVHFMVQNMK-LJQANCHMSA-N 310.372 4.074 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccc(C(=O)O)cc3)c(C)c2c1 5059929 GCUSQOIIEDEJAI-UHFFFAOYSA-N 309.321 4.000 0 40 DIAB COc1ccc(SCC(=O)Nc2c(C)cccc2C)cc1 7294705 LLIJOVCDSHRZEP-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 7603913 GXDFCBRSHSCNKV-UHFFFAOYSA-N 315.127 4.410 0 40 DIAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)c1c[nH]c2ccccc12 7987446 UNADOLPXZRCBGS-ZIAGYGMSSA-N 322.408 4.099 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 8041492 CQQRVELTHNFEEJ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cccc(OCCSc2nc3ccccc3n2C)c1C 11667487 KKIBNQOFUGGEGZ-UHFFFAOYSA-N 312.438 4.361 0 40 DIAB Cc1ccc(-n2nc(C(=O)O)cc2-c2cc(C)ccc2C)cc1 11801735 ALJCVZVYTJCGIR-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12441542 GCPOWJGLRONERV-LJQANCHMSA-N 323.436 4.198 0 40 DIAB Cc1cccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12561790 RMONNNVLOPKVOQ-NSHDSACASA-N 313.426 4.083 0 40 DIAB CSc1ncc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2)n1 13624272 IRLVAYSRQVYZOL-UHFFFAOYSA-N 321.833 4.228 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)c2cc(F)cc(F)c2)cc1 20029688 ZTOGDIUQKCYYMT-SNVBAGLBSA-N 307.365 4.178 0 40 DIAB C[C@H](NC(=O)CC1CCCC1)c1cccc(Br)c1 32796151 CZPPFOFZOMBWRD-NSHDSACASA-N 310.235 4.207 0 40 DIAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)CCC(C)C)cc1 32833189 DBSSCXDDGQWVPY-MRXNPFEDSA-N 304.478 4.083 0 40 DIAB COc1ccc(OC)c(C(=O)c2ccc(Cl)cc2Cl)c1 36940094 JPFFSUBYJXKLJR-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB COc1ccc([C@@H](NC(=O)CCCc2ccccc2)C2CC2)cc1 40107431 BNIRMGQXBWWSBC-NRFANRHFSA-N 323.436 4.285 0 40 DIAB Cc1nc(C)c([C@H](C)NC(=O)N[C@@H](C)c2cccc(F)c2)s1 56487754 WXZCVSXJPQLUOQ-ONGXEEELSA-N 321.421 4.020 0 40 DIAB FC(F)(F)COCCCSc1nc2ccc(Cl)cc2[nH]1 59960800 LRZIOZQEEVBNHX-UHFFFAOYSA-N 324.755 4.277 0 40 DIAB Cc1cc(OCc2ccccc2)ncc1[C@@H](O)c1ccccc1 72223427 SSLWOVSRZOTJMU-FQEVSTJZSA-N 305.377 4.051 0 40 DIAB O=C(CC(C1CC1)C1CC1)N1CCCC[C@H]1c1nccs1 72285947 UULZIBLJIIOJQJ-HNNXBMFYSA-N 304.459 4.023 0 40 DIAB COc1cccc(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 75107505 HGZVRDMESLISHZ-JXFKEZNVSA-N 323.436 4.032 0 40 DIAB C(=C1CCN(Cc2nnc(-c3ccco3)o2)CC1)c1ccccc1 84525644 ZMSYSJXNQIAJNS-UHFFFAOYSA-N 321.380 4.009 0 40 DIAB CCO[C@@H](C)c1nc(C(=O)O[C@H](C)c2cccc(F)c2)cs1 95399930 GLOGLPGABDXKHX-MNOVXSKESA-N 323.389 4.298 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCCC[C@@H]3CCCC[C@@H]32)c1 95457596 GDURBYDPCJDRSB-YJBOKZPZSA-N 314.429 4.466 0 40 DIAB C[C@H](C(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccs1 95961555 DVGUAYHSWVYBJY-FZMZJTMJSA-N 305.830 4.479 0 40 DIAB Nc1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1 196420868 REIUKZJTFTUQFW-UHFFFAOYSA-N 315.170 4.353 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608014 VTVHPRFVURCYMA-SFHVURJKSA-N 307.434 4.174 0 40 DIAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645904 IATVAZIPURPISL-AUUYWEPGSA-N 319.445 4.234 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc(C)c1Cl 250964301 WCBGIDMPHRTSPP-RZLSGREXSA-N 321.848 4.029 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)C(F)(F)Br 306690039 LWLFCYVBVVIJOA-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB CCOc1cccc(C(=O)Oc2cccc3ccc(C)nc23)c1 184343 QOXZLMSHNZNWEE-UHFFFAOYSA-N 307.349 4.161 0 40 DIAB O=C(O)Cc1ccccc1Sc1cccc(C(F)(F)F)c1 347451 OAHIVACTUGYMGU-UHFFFAOYSA-N 312.312 4.484 0 40 DIAB CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1ccncc1 530768 MSGIDYQUGGJJMM-UHFFFAOYSA-N 324.453 4.269 0 40 DIAB Clc1ccc2c(c1)CN(c1ccc(Br)cc1)CO2 535971 JVUMNYPATJALCR-UHFFFAOYSA-N 324.605 4.459 0 40 DIAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)C1CCCCC1 2764124 QJBLOYQQRYVCDD-UHFFFAOYSA-N 317.820 4.104 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCCCn1ccc2ccccc21 3425234 UVLUNYNIZJMUFJ-DHZHZOJOSA-N 322.383 4.000 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2ccccc12 3490759 MYHUFOHWGLHJAQ-CYBMUJFWSA-N 323.421 4.058 0 40 DIAB O=C(COc1ccccc1)Nc1ccc(SC(F)F)cc1 3607270 UHTSXWRLNMYXHI-UHFFFAOYSA-N 309.337 4.019 0 40 DIAB Cc1ccc(NC(=O)c2cccnc2Cl)c2c1CC(C)(C)O2 4105550 UZVATQBMVQLQPF-UHFFFAOYSA-N 316.788 4.009 0 40 DIAB O[C@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12 4247743 JAYZZRNUIXTTLZ-HXUWFJFHSA-N 300.361 4.312 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C(F)(F)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4720876 XTSQMOANKLUKLD-MOSWPPPKSA-N 324.411 4.124 0 40 DIAB CCC[C@@H](O)[C@H](CC)N[C@@H](Cc1ccccc1)c1ccccc1 4777500 WCMLBOIVUKMLBK-PCCBWWKXSA-N 311.469 4.500 0 40 DIAB Cc1ccccc1NC(=O)COc1cccc(OCC(C)C)c1 5620350 VGSFOPCRQSGPQN-UHFFFAOYSA-N 313.397 4.047 0 40 DIAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCC1 7700069 YTTPSVHEUDFXQK-UHFFFAOYSA-N 315.800 4.155 0 40 DIAB O=C(NCc1ccco1)c1ccc2noc(-c3ccccc3)c2c1 7910841 SVTWZLBSWIESIY-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 8496814 BTFUUNAGPYQCTH-CQSZACIVSA-N 317.816 4.041 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4CO 8618859 HHAMKMUMKLXDFQ-WIGXJSJFSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2O1 10542955 OGYYWTVNESKHRC-HNNXBMFYSA-N 315.800 4.372 0 40 DIAB Cc1cc(C)c2sc(NC(=O)CCC3CCCC3)nc2n1 11666321 GDNZRCHYDNQBDV-UHFFFAOYSA-N 303.431 4.217 0 40 DIAB C[C@@H](O)c1ccc(-c2ccccc2NC(=O)c2ccccn2)s1 12816172 UZWYTUXUUXIIIF-GFCCVEGCSA-N 324.405 4.116 0 40 DIAB CCCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 12920471 PKNXSIVLRXFYSB-RISCZKNCSA-N 316.426 4.193 0 40 DIAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 13797224 QLPNULRQIWMKPI-UHFFFAOYSA-N 319.817 4.107 0 40 DIAB Brc1ccc(-c2n[nH]c3c2CCc2occc2-3)cc1 16739594 WYEHMVMMSJLKOS-UHFFFAOYSA-N 315.170 4.198 0 40 DIAB Cc1cccc(NC(=S)NCCc2cccs2)c1Cl 17032219 ZBFYKWNPMVUYDQ-UHFFFAOYSA-N 310.875 4.239 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F 20106700 ORQAPVIOHYIGEG-GFCCVEGCSA-N 319.351 4.494 0 40 DIAB Fc1cc(COc2ccc(-c3nnco3)cc2)c2ncccc2c1 31608412 FLLBEBYNASRGRR-UHFFFAOYSA-N 321.311 4.003 0 40 DIAB COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(CO)c1 37093859 KAFXVVPWPNYIBA-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl 37441142 QJGXAKBXSJVXDR-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB in-vitro CC(=O)Nc1ccc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cc1 40040714 NBSYSPUTHCUZQT-ROUUACIJSA-N 302.462 4.340 0 40 DIAB c1ccc2c(-c3nc4cc(-n5cnnc5)ccc4o3)cccc2c1 45920413 BHGMUINWGRRKGD-UHFFFAOYSA-N 312.332 4.229 0 40 DIAB Cc1ccc(NC(=O)NC[C@H](Nc2ccccc2)C(C)C)cc1 58053493 WXGITQSRPDDTSP-SFHVURJKSA-N 311.429 4.253 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 60855318 XQRVZIRPSUCSOU-UHFFFAOYSA-N 311.454 4.404 0 40 DIAB CCOc1cccc([C@H](C)NC(=O)C2(c3ccccc3)CCC2)c1 62909476 RCPODEZEJVOTDH-INIZCTEOSA-N 323.436 4.384 0 40 DIAB Cc1cc(NC(=O)N(C)C2CCCCCC2)n(C(C)(C)C)n1 65775626 NKBKEMLEHIMNFF-UHFFFAOYSA-N 306.454 4.133 0 40 DIAB Cc1cc(SC(C)(C)C)ccc1NC(=O)NC[C@@H]1CCOC1 78394997 XEJSWRBZZKFUSE-ZDUSSCGKSA-N 322.474 4.044 0 40 DIAB CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2c(F)cccc2F)C1 95411720 VQUIEMMQQPWDRU-GHMZBOCLSA-N 314.401 4.103 0 40 DIAB C[C@H](N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccco1 95421801 KKZMMPPJNGWWSY-KPZWWZAWSA-N 314.335 4.393 0 40 DIAB C[C@H](NC(=O)c1cc2occc2[nH]1)c1nc(C(C)(C)C)cs1 95432797 BTCOUHQLYDXIIB-VIFPVBQESA-N 317.414 4.006 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Nc1ccc2[nH]ccc2c1 95959226 YPQGMJDRWFPBDU-LSDHHAIUSA-N 321.424 4.154 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc2c(s1)CCCCC2 108999600 RMNDWLBFADQZHZ-RWMBFGLXSA-N 304.459 4.177 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C)c1 113956240 BFUKGCBVDXJCEE-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCC2 223251925 HJPFIIIPWDBOGZ-CQSZACIVSA-N 311.400 4.124 0 40 DIAB O=C(CC1CCCC1)NCc1cccnc1-c1ccsc1 225644245 NTSGRGAKJNPAKX-UHFFFAOYSA-N 300.427 4.007 0 40 DIAB Cc1nc2ccc(OC(=S)N(C(C)C)C(C)C)cc2nc1C 408735593 TYQWMBZNXIZQNU-UHFFFAOYSA-N 317.458 4.029 0 40 DIAB CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 38437 ZJFQWUYRACZEHP-LLVKDONJSA-N 316.228 4.019 0 40 DIAB Cc1ccc([C@@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 139335 GZIYQZWCZAFAOR-INIZCTEOSA-N 303.814 4.427 0 40 DIAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3C)sc2n1 422672 VVPPTSIQGANBGA-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 1509371 OPRHESKIPAPJLK-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB CCCCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 1827198 QWXCECCEUSWAIF-UHFFFAOYSA-N 309.369 4.409 0 40 DIAB O=C(CSc1ccc2ccccc2n1)Nc1ccccc1F 2502417 ADNYYTYQRVFKET-UHFFFAOYSA-N 312.369 4.105 0 40 DIAB CSc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 3328145 GBXYPLGBRXKWTR-UHFFFAOYSA-N 321.467 4.333 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 3538431 JMUAUYYVUJHCKE-UHFFFAOYSA-N 321.405 4.349 0 40 DIAB O=C(O)CCC1=NN(c2ccccc2)[C@@H](CCc2ccccc2)C1 3845492 ANRGJEWSEBYCRS-IBGZPJMESA-N 322.408 4.119 0 40 DIAB biogenic O=c1sc2ccccc2n1CCCOc1ccc(Cl)cc1 5234813 NBFKIOXIEYKCNL-UHFFFAOYSA-N 319.813 4.186 0 40 DIAB C[C@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1 5706482 UVKYPKNCQJIGKV-HSCHXYMDSA-N 318.457 4.385 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1c(F)cccc1Cl 8724797 UCPXKWGDWDEOKN-CYBMUJFWSA-N 321.804 4.446 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(F)cc1 12762172 GVCYNDZGXZRVRN-UHFFFAOYSA-N 320.367 4.126 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1 15332344 LPYOTCJTHRWTHZ-AWEZNQCLSA-N 323.367 4.063 0 40 DIAB Cc1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1 19774002 ASBJJTZOVHZKLS-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB Fc1ccc(-c2nc(Cl)n(-c3ccc(Cl)cc3)n2)cc1 22125332 CQXSJWDYLPZIRY-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB Cc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1C 26510235 AAZVJHLOXFUUDA-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 30757979 XMYSRLRDWKTKON-LPHOPBHVSA-N 323.436 4.265 0 40 DIAB COc1cccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)c1 36776060 PTSVMIWENFQVLR-UHFFFAOYSA-N 321.376 4.444 0 40 DIAB Cc1ccc(Cn2nccc2NC(=O)c2cc(C)cc(C)c2)cc1 40046892 PKCGXAJIQXMYKK-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB COc1ccc(NC(=O)c2cc3cccc(C)c3o2)c(OC)c1 41306763 ZDDUJVLPKCNWNP-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB Nc1ccc(Oc2cc(F)cc(F)c2)c(Br)c1 54932086 HFHXLPRGRUQOAM-UHFFFAOYSA-N 300.102 4.102 0 40 DIAB Cc1ncc(CN(C)C(=O)C(C)(C)c2cccc(Cl)c2)s1 71914730 ULVDHKGAOZXSAJ-UHFFFAOYSA-N 322.861 4.041 0 40 DIAB Cc1nc(N(C)Cc2ccccc2)ccc1[C@@H](N)c1ccccc1 72224448 QAZDMYXMVIRCNR-NRFANRHFSA-N 317.436 4.075 0 40 DIAB CCc1ccsc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1 75110334 CECXZHVJNFPSLM-QWHCGFSZSA-N 305.468 4.100 0 40 DIAB CC(C)Nc1cccc(CNC(=O)[C@@H]2CCCc3ccccc32)c1 79072523 MQWOTQNFUURDQK-HXUWFJFHSA-N 322.452 4.243 0 40 DIAB FC(F)(F)Oc1cc(C(F)(F)F)ccc1Br 95215728 HDSGLMJEVICJBF-UHFFFAOYSA-N 309.003 4.367 0 40 DIAB Cc1cc2ncn(-c3ccc(Br)cc3)c2cc1C 95915796 ALTWCZMJQKRMOS-UHFFFAOYSA-N 301.187 4.405 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)cc1 113960003 GZZZBOQWQQKKJD-RHSMWYFYSA-N 315.388 4.169 0 40 DIAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 226332696 MTLZQRJNQHVSOY-XBXARRHUSA-N 322.191 4.071 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(F)c1 113538 ZUIGCHCHVICQGI-UHFFFAOYSA-N 305.352 4.345 0 40 DIAB c1cc[n+](Cc2ccc(-c3nc4ccccc4s3)cc2)cc1 152687 UFOHZTYQCJJIAJ-UHFFFAOYSA-N 303.410 4.299 0 40 DIAB Cc1cccc(NC(=S)Nc2ccccc2OC(F)F)c1 374451 XIDGPYJKFHFQPY-UHFFFAOYSA-N 308.353 4.405 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)Cn2nc(C(F)F)cc2C)cc1 1002330 XYXZRUHHCPVAIE-LLVKDONJSA-N 321.371 4.281 0 40 DIAB CCOc1ccc(OCCC(=O)Nc2cccc(C)c2C)cc1 2617898 MRZUXTCKJAZMIC-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CC1CCN(CCCOc2cc(Cl)ccc2Cl)CC1 3247080 YSBJBCXGBCTICS-UHFFFAOYSA-N 302.245 4.494 0 40 DIAB Brc1cccc(Oc2ncnc3sccc23)c1 3260978 KMHUMANCMQMBKG-UHFFFAOYSA-N 307.172 4.246 0 40 DIAB CCN(CC)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 3330933 HZVSRNGHFNBMFX-UHFFFAOYSA-N 308.425 4.203 0 40 DIAB C(=C/c1ccccc1)\CSc1nnc2c(n1)[nH]c1ccccc12 3666851 NYDDQQMNHIWWDH-RMKNXTFCSA-N 318.405 4.312 0 40 DIAB C[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 4783184 OBPFOOAJNMZRDJ-TUSAPRFISA-N 304.474 4.205 0 40 DIAB Cc1cccc(-n2c(S)nnc2-c2ccc(Cl)cc2)c1C 4973842 MTGCNTVAPSKLRX-UHFFFAOYSA-N 315.829 4.493 0 40 DIAB Cc1cc(C)c2oc(C(=O)Nc3c(C)cccc3C)cc(=O)c2c1 6811326 PHWSJUDNHCNYPQ-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1C 7756703 PVVVUICCIPYINW-GXTWGEPZSA-N 300.427 4.330 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1c(F)cccc1Cl 7886435 DWIMQEMKALJVOJ-INIZCTEOSA-N 318.779 4.456 0 40 DIAB O=c1c(Cl)c(NC2CCCCCC2)cnn1-c1ccccc1 8149310 QJYNBRWUTNEZPX-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB O=C1C[C@@H](c2ccccc2Cl)c2c(-c3ccccc3)n[nH]c2N1 8996146 WQCNDUZLACZGFS-ZDUSSCGKSA-N 323.783 4.204 0 40 DIAB Cc1ccc(C)c(NCc2cc3ccc(C)c(C)c3[nH]c2=O)c1 12492938 OPDLUDXJVLEEAR-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC1CCCCC1 13019465 GJSMXZVIARXTOR-ZHACJKMWSA-N 314.816 4.350 0 40 DIAB Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4C)no3)cc2c1 15678962 HKZPISGXJYOIQX-UHFFFAOYSA-N 318.332 4.127 0 40 DIAB CC(C)C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610539 UWWVXIRMNNYOAJ-UHFFFAOYSA-N 322.412 4.138 0 40 DIAB CCc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 22254918 PIWYDKPMJBUJBS-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(F)cc1 22535296 JICYIVAPPOJKJP-CYBMUJFWSA-N 315.413 4.037 0 40 DIAB O=C(Nc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1 28220140 RSGPTOPQHYOFBO-UHFFFAOYSA-N 312.760 4.170 0 40 DIAB Cc1ccc(NC(=O)CSc2ccc(-c3cccnc3)o2)cc1 28526895 RSVBZXHOUWXYAI-UHFFFAOYSA-N 324.405 4.381 0 40 DIAB CC(C)c1ccc(CN[C@H](c2ccccc2)c2nccn2C)cc1 30643172 XOYSBIVWGXUUOE-HXUWFJFHSA-N 319.452 4.423 0 40 DIAB COc1ccc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1 33535003 BLAKAAHRFNWNES-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 38146228 BIZMTDBMEOEUPC-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@@H]1C 40134980 ACVRCDJPGAOOKO-UMVBOHGHSA-N 317.477 4.070 0 40 DIAB Cc1cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)sc1C 40145424 SZPKVQIQOIAOME-CYBMUJFWSA-N 313.344 4.398 0 40 DIAB CC(C)CC[C@H](C)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 43675499 HBWCLAAJBLXHIF-AWEZNQCLSA-N 319.449 4.227 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2C)cc1 47808821 BIZYUSWBTULQON-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB O=C1CCCc2nc(-c3ccc(Br)cc3)sc21 50329686 QTIKHTMMYJIJSO-UHFFFAOYSA-N 308.200 4.092 0 40 DIAB in-vitro COc1ccc(OC)c([C@H]2CCCCN2C(=O)OC(C)(C)C)c1 72221893 OSVADECRVZXKQS-OAHLLOKOSA-N 321.417 4.166 0 40 DIAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2cccs2)SC1 79487493 BQYUHDAMYNOLHG-CQSZACIVSA-N 319.455 4.484 0 40 DIAB FC(F)(F)c1cccc2sc(NCc3cccnc3)nc12 85436310 VWZYIEMMFLCCAR-UHFFFAOYSA-N 309.316 4.322 0 40 DIAB COc1ccc2oc([C@H](C)NCc3cccnc3C)c(C)c2c1 106472364 SKDURNCCQJOIDX-AWEZNQCLSA-N 310.397 4.304 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 225097294 HYJKXEFHVCIWMT-LJQANCHMSA-N 315.457 4.172 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225612864 AXCGQIVVSAJDPU-KBXCAEBGSA-N 307.434 4.316 0 40 DIAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1 225866249 DQSHXGYHBUKGJE-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB Cc1ccc(Cc2ccc(C(=O)O)n2Cc2ccccc2)cc1 226029869 WJXAYWZBBBNPML-UHFFFAOYSA-N 305.377 4.134 0 40 DIAB CC(C)c1ccoc1C(=O)Nc1ccc(N2CCCCC2)cn1 332143279 NZQORMXZOGKJSI-UHFFFAOYSA-N 313.401 4.041 0 40 DIAB COc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775971515 RLMGYBUFDPNHGU-HOTGVXAUSA-N 312.413 4.334 0 40 DIAB CCCn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O 149248 KPCZZHDZWUDDGK-UHFFFAOYSA-N 318.829 4.497 0 40 DIAB O=C(CSC(=S)N1CCCCC1)c1ccc(Cl)cc1 364032 IOZKIOZIBLUPQD-UHFFFAOYSA-N 313.875 4.027 0 40 DIAB C[C@@]12C[C@@H](NC(=O)N1c1cccc(Cl)c1)c1ccccc1O2 422924 JFOXHAYEZIEUTA-RHSMWYFYSA-N 314.772 4.110 0 40 DIAB Cc1ccccc1-n1nc(-c2ccccc2)c2ccccc2c1=O 501440 SDWODWCVCKSBNU-UHFFFAOYSA-N 312.372 4.361 0 40 DIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)cc1F 2514916 DAZKYNATJFBESU-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB O=C(C[C@@H](C(=O)O)c1cccc(Cl)c1Cl)c1ccccc1 2567121 WOFXQNKQYCNGNM-GFCCVEGCSA-N 323.175 4.435 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2ncsc2c1 2631786 YKDGQIGVPLWYPD-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CCCCSc1nc2ccccc2c(=O)n1C1CCCC1 4838117 QOSWLDWVVHEVPM-UHFFFAOYSA-N 302.443 4.404 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C\c1ccc2ccccc2n1 5159106 XFQVOLWSIUAMOF-LUAWRHEFSA-N 321.376 4.431 0 40 DIAB COc1cc2c(cc1OC)[C@@H](C)N(Cc1ccc(C)cc1)CC2 5425643 YGNVKLJXSFNFRU-OAHLLOKOSA-N 311.425 4.132 0 40 DIAB O=C1c2ccccc2[C@@](O)(c2ccccc2)c2c(Cl)cccc21 6575675 QJHZYWCFWPVHDK-FQEVSTJZSA-N 320.775 4.169 0 40 DIAB C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 6788374 RFZWWDVCAWAFEE-GFCCVEGCSA-N 313.788 4.241 0 40 DIAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c1 7706486 BCTZZPLTYSVTBI-SFHVURJKSA-N 323.417 4.276 0 40 DIAB Cc1occc1-c1nc(N2CCCCC2)ncc1-c1ccncc1 12222831 NBVRIVWRCXKRIZ-UHFFFAOYSA-N 320.396 4.097 0 40 DIAB C[C@H](NC(=O)c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 12421530 LDSAJAZXOVGPJX-NZWMYCLXSA-N 319.395 4.300 0 40 DIAB COc1cccc2cc(C(=O)NCCCc3ccc(C)cc3)oc12 13676648 SVDRTSLBTIMCPR-UHFFFAOYSA-N 323.392 4.112 0 40 DIAB Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)c1 14002670 VCWYRTGERAFBID-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB Cc1ccc2c(CC(=O)N[C@@H]3CCc4ccccc43)coc2c1C 14372691 KNUDVZQCNIJSAY-LJQANCHMSA-N 319.404 4.396 0 40 DIAB Cc1nc(Nc2ncc(-c3ccccc3)[nH]2)nc2ccccc12 14608329 CBHNHKLQLKVXSF-UHFFFAOYSA-N 301.353 4.072 0 40 DIAB COc1ccc(CSc2nnc(-c3ccc(C)cc3)o2)cc1 14705970 DRVQKHHOBCTRTM-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB CC[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 17720482 RUBTUTGMVNYVMB-HMSXATMWSA-N 311.469 4.439 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC 20460238 BGMGGPNOIGVBRU-AWEZNQCLSA-N 313.397 4.054 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1C 20481360 OBQIENVOQIXORQ-CABCVRRESA-N 315.388 4.087 0 40 DIAB O=C(c1cccs1)N1CCCC[C@H]1CCN1CCCCCC1 21170804 LOXDZIUHEFXMLS-INIZCTEOSA-N 320.502 4.009 0 40 DIAB C[C@H]1CCCCN1c1c(Cl)cc(N)cc1Br 45885810 VACSPOWRLURDEF-QMMMGPOBSA-N 303.631 4.064 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)CCCc1cccs1 52568174 ANUUHCZRCRKYID-LBPRGKRZSA-N 305.468 4.278 0 40 DIAB Cc1ccc(C)c(C[S@](=O)Cc2nc3ccccc3s2)c1 57991770 GHFDIEKURGPLTR-OAQYLSRUSA-N 315.463 4.362 0 40 DIAB CCn1ncc2ccc(NC(=O)C[C@H](C)c3ccccc3)cc21 58087509 UNPMCRYULCTFJI-AWEZNQCLSA-N 307.397 4.189 0 40 DIAB Cc1nn(CN2CCCC[C@H]2Cc2ccccc2)c(=S)s1 58158622 QDUURUOCEVLDIR-HNNXBMFYSA-N 319.499 4.037 0 40 DIAB COc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1F 72291406 AZKWIHKUWJLPQE-UHFFFAOYSA-N 301.361 4.022 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Br)c(F)c2)c1 84847266 GUZAXQAWJJITPM-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCO[C@H](C)c1nc(C(=O)N2CCC[C@@H]2C2CCCC2)cs1 95399638 WYRSGARHNWUARO-IUODEOHRSA-N 322.474 4.035 0 40 DIAB Cc1cc(CN[C@@H](C)c2sc(-c3ccccc3)nc2C)no1 95420860 BIXYOYPPPDHWBO-LBPRGKRZSA-N 313.426 4.266 0 40 DIAB Cc1c(NCc2cccc3cccnc23)cnn1-c1ccccc1 95462171 FYVLSXNCYQSCAS-UHFFFAOYSA-N 314.392 4.341 0 40 DIAB CN(Cc1cccnc1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 95955470 XLKNIJHNBSEQGC-UHFFFAOYSA-N 322.452 4.069 0 40 DIAB O=C(CSCc1ccccc1F)N1CCCc2ccccc21 222705224 UVPAEPGEXKXOPN-UHFFFAOYSA-N 315.413 4.038 0 40 DIAB CCOc1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1 225753957 NAPAXMCOHFLICD-CQSZACIVSA-N 314.454 4.441 0 40 DIAB CCOCCOc1ccccc1C(=O)N[C@@H](C)CCC(C)(C)C 522888525 UQWQPNHTKRLDEX-HNNXBMFYSA-N 321.461 4.047 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1C 534042944 SBSPMPYCJDEOBC-UHFFFAOYSA-N 321.298 4.469 0 40 DIAB COc1cccc(NC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 136881 HEEYGXFJGHYMPM-GXTWGEPZSA-N 306.475 4.196 0 40 DIAB CC[C@H]1CCCCN1[C@@H]1NC=Nc2sc3c(c21)CCCC3 1025951 LFIIOFGRYMHEMQ-LRDDRELGSA-N 303.475 4.153 0 40 DIAB COc1ccccc1Sc1nc(-c2ccccc2)ncc1OC 1406866 VDPSZTZMXHJHPN-UHFFFAOYSA-N 324.405 4.312 0 40 DIAB CCOC(=O)C(C)(C)C(O[P@](=O)(CC)OCC)=C(C)C 1718024 XMWNPHRMXJAMTR-FQEVSTJZSA-N 306.339 4.136 0 40 DIAB COc1ccc(CCC(=O)c2cccc(Br)c2)cc1 2516555 MCYQLCMQWBKXFD-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 2623140 NMRKTBRQQFKEJR-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB CCc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 3283379 RIIWFPGHCPKFBD-LFIBNONCSA-N 311.768 4.247 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)OCc3ccccc3C)cc2)n1 3399028 PIYYADYNMNXZOW-UHFFFAOYSA-N 320.392 4.155 0 40 DIAB CSc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 4517489 KHEKOUPUXKSMQL-UHFFFAOYSA-N 306.456 4.415 0 40 DIAB CC[C@@H]1CN(C)CC[C@]1(OC(=O)c1ccccc1)c1ccccc1 4535494 OJLWUEFIEDXWFB-WIYYLYMNSA-N 323.436 4.101 0 40 DIAB CCCCC(=O)N(CCC)c1nnc(-c2cccc(C)c2)s1 4982489 QMLKFVHSGRRDHP-UHFFFAOYSA-N 317.458 4.447 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1OCC 5617549 SPWSUVGTBQUMOT-UHFFFAOYSA-N 321.323 4.015 0 40 DIAB S=C(c1ccccc1OCc1ccccc1)N1CCCCC1 6475265 WCOUXOPGJPKQFS-UHFFFAOYSA-N 311.450 4.427 0 40 DIAB CC(C)(C)c1ccc(-c2csc(N3CCCC3=O)n2)cc1 6508390 GLKMUWOOHRSXTR-UHFFFAOYSA-N 300.427 4.234 0 40 DIAB CC1(C)CN=C(SCc2c(Cl)cccc2Cl)NC1 6881351 RVEBBUMJSIHLHU-UHFFFAOYSA-N 303.258 4.212 0 40 DIAB C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 8707616 HORDQZLXTGAYCE-AWEZNQCLSA-N 322.408 4.167 0 40 DIAB CC(C)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 9064035 KZBQDVYLXZJEON-UHFFFAOYSA-N 316.401 4.076 0 40 DIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc2ccccc12 9503413 GRYJBRYPWRVMJL-UHFFFAOYSA-N 319.360 4.253 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)NCCCc1ccccc1 10110166 COQDXOKHXZVEMW-INIZCTEOSA-N 313.466 4.057 0 40 DIAB O=C(c1ccc2ccccc2c1)N1CCO[C@H](c2ccccc2)C1 12441540 WANAWIBXWDPYRH-FQEVSTJZSA-N 317.388 4.054 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709606 RTZSHZLBRYWMLF-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccccc3F)c2n1 15835236 ZTIWDPRFQXBKHN-ZDUSSCGKSA-N 324.355 4.088 0 40 DIAB O=C(O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 20154434 DVLBUQIANGYXBI-UHFFFAOYSA-N 308.120 4.500 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)C1CCCCC1 20483231 JJVONSUSYLPTHP-QGZVFWFLSA-N 303.446 4.252 0 40 DIAB CN(C(=O)c1occc1COc1ccccc1)c1ccccc1 21964051 ZVDHAERXDZJKNE-UHFFFAOYSA-N 307.349 4.135 0 40 DIAB CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)cc2Cl)no1 27925217 FAVOURCNXNCGAL-UHFFFAOYSA-N 314.719 4.156 0 40 DIAB CCc1cccc(C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 29484291 TVBUDUAFDCWFPS-IBGZPJMESA-N 322.452 4.115 0 40 DIAB Cc1cccnc1NC(=O)c1cc(-n2cccc2)ccc1Cl 36359402 XYJHKTJHRFLPPC-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB Cc1ccsc1CNC(=O)N[C@H](C)c1cc2ccccc2o1 40071101 UKCHIXISRKVMFL-GFCCVEGCSA-N 314.410 4.363 0 40 DIAB CCc1ccc(CNC(=O)Nc2ccc(F)cc2Cl)s1 48325660 BNLGQUOLUOIVAD-UHFFFAOYSA-N 312.797 4.425 0 40 DIAB c1ccc(N(Cc2ccco2)Cc2nnc(C3CCC3)o2)cc1 71910661 DRXBGYWUWLLPAA-UHFFFAOYSA-N 309.369 4.137 0 40 DIAB FC(F)(F)c1cnc(SCc2ccncc2)c(Cl)c1 77894943 ICMQKCGSJRCXIB-UHFFFAOYSA-N 304.724 4.441 0 40 DIAB Clc1cnc2oc(-c3cccc(Br)c3)nc2c1 78406986 RPMRFCWDLQZRJK-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB COCc1nc(CNc2cc(-c3ccco3)ccc2F)cs1 95409887 BWBHKACNLGNBCB-UHFFFAOYSA-N 318.373 4.301 0 40 DIAB CC(C)C[C@H]1C[C@H](Nc2ncccc2C(F)(F)F)CCO1 95990650 TUGJGASTIVRGHQ-NEPJUHHUSA-N 302.340 4.106 0 40 DIAB CCc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 101943112 VLCGRKLEXZNONC-UHFFFAOYSA-N 315.376 4.331 0 40 DIAB CCc1c(-c2ccc(Cl)cc2)nn(Cc2ccccc2)c1N 199750549 UWPKRFPAYCIATN-UHFFFAOYSA-N 311.816 4.396 0 40 DIAB Cc1cccnc1NC(=S)NC1(c2ccccc2)CCCC1 225871849 MYWJNYPIJWHFML-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB O=C(NCC1(c2ccsc2)CC1)c1cccc2ccccc12 1889146249 OVLBAUZVSUUFCA-UHFFFAOYSA-N 307.418 4.363 0 40 DIAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccccc2)c1 281456 IKUQZVHDTIXNLO-INIZCTEOSA-N 313.466 4.414 0 40 DIAB COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 522037 NWEXSYQRWBDWHN-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)s1 2741256 QUPVRCXCRFQGSL-UHFFFAOYSA-N 311.332 4.332 0 40 DIAB Brc1ccc2nc(-c3c[nH]c4ccccc34)cn2c1 3365783 TVOQQCQDXGJVJN-UHFFFAOYSA-N 312.170 4.245 0 40 DIAB COc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 3481706 ZNQNHOHVWBEAAM-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1 5427035 RJKAOMUFKJROLZ-HNNXBMFYSA-N 306.409 4.005 0 40 DIAB CCCCCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 6389247 GDIOXIDYPLEFHC-UHFFFAOYSA-N 309.369 4.409 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 6543525 BQAXGTDELMTZIA-ZDUSSCGKSA-N 310.397 4.411 0 40 DIAB CCc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7050676 GXDYAHJRGVPWFI-VAWYXSNFSA-N 321.829 4.315 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 8318034 VSZGLEWFCLHCGA-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB CC(C)c1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O 8394140 MMMIJGKZYXXNTB-UHFFFAOYSA-N 312.800 4.222 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 10428745 AXWJZRBSCPIZGR-LJQANCHMSA-N 324.424 4.083 0 40 DIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cccc2ccccc12 12186451 SHQYWKYPVMUKHC-UTKZUKDTSA-N 315.420 4.200 0 40 DIAB CC(C)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 12548020 SKAZVHHIUGEGNG-UHFFFAOYSA-N 307.397 4.258 0 40 DIAB C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 12876419 MOSJXGGRNZRCHV-JTQLQIEISA-N 324.211 4.404 0 40 DIAB Cc1c(O)ccc2c(CN(C)[C@H](C)c3ccccc3)cc(=O)oc12 12979309 OCUVKVIVKKZXSB-CQSZACIVSA-N 323.392 4.000 0 40 DIAB O=c1oc2ccccc2cc1Sc1cc2ccccc2oc1=O 16525608 MVJXKCMIRSLMJD-UHFFFAOYSA-N 322.341 4.051 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1 20454011 ZOCMISIJYRUENL-MRXNPFEDSA-N 317.816 4.156 0 40 DIAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1 20481147 FPTYEHNGERTTEG-IBGZPJMESA-N 311.425 4.456 0 40 DIAB CSc1ccccc1NC(=O)COc1cc(C)ccc1C 23659511 RCNRNMWBYQUPEG-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(CCc1cccnc1)Nc1cccc(Oc2ccccc2)c1 25065420 YHNNKZNJGCXCPC-UHFFFAOYSA-N 318.376 4.445 0 40 DIAB C[C@H](NC(=O)CNc1ccccc1Cl)c1ccccc1Cl 25596956 MULLWWGFTAXUGZ-NSHDSACASA-N 323.223 4.283 0 40 DIAB Cc1cc(CS[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)no1 27191067 BAMOVMGCFARFCX-NSHDSACASA-N 324.833 4.205 0 40 DIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1F 27878051 QCYHHSPGZFKKMR-PWSUYJOCSA-N 323.717 4.330 0 40 DIAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(C(F)(F)F)cc1 30114944 JESAIVBXPYVTGC-QMMMGPOBSA-N 317.694 4.443 0 40 DIAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)s1 33192634 LBXJZCDICMFHOD-ZETCQYMHSA-N 313.831 4.157 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C)c1 38754191 FDDWTNZCEUZUBO-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB C[C@@H](CNC(=O)c1ccc(Cl)cc1)Oc1ccc(Cl)cc1 41155646 RCCMYQTUGCNIJD-NSHDSACASA-N 324.207 4.191 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 42000957 LPFREVUQFHGDFT-MAUKXSAKSA-N 323.436 4.483 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1F 45089763 PPGYLOJDNLXQMO-GFCCVEGCSA-N 319.401 4.095 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)o1 53641484 XKAZFTJZCYICTH-DOMZBBRYSA-N 308.381 4.157 0 40 DIAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)NC1CCCC1 59351136 DGHCYQFDXZEMHE-UHFFFAOYSA-N 321.424 4.445 0 40 DIAB C[C@@H](CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1 70647039 FMMCXLPEVLXNQJ-SFHVURJKSA-N 309.453 4.187 0 40 DIAB in-man O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)cs1 72259975 HMYLYUXLBXAKIA-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB COC[C@H](C)NC1CCC(Sc2ccc(Cl)cc2)CC1 95983714 VOVFFWMNIQQVDD-YGONEPDPSA-N 313.894 4.368 0 40 DIAB Cc1ccc(-c2nc3nc(-c4ccc(F)cc4)nc(O)c3o2)cc1 96345964 UEFJCDCRSMCVCI-UHFFFAOYSA-N 321.311 4.105 0 40 DIAB O=c1[nH]c(-c2c[nH]c3ccccc23)nc2sc3c(c12)CCCC3 101349427 PPZAAXZMKDCSAA-UHFFFAOYSA-N 321.405 4.012 0 40 DIAB COc1ccc(C)cc1[C@H](C)Nc1cccc(C[S@@](C)=O)c1 195552455 FFQMDSAUTCKVOO-RCDICMHDSA-N 317.454 4.055 0 40 DIAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3ccc(F)cc3)nc12 199405906 COXTTXYDLLHXER-UHFFFAOYSA-N 309.319 4.285 0 40 DIAB COc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1Cl 223715608 PUNSGQDVCHFJLE-UHFFFAOYSA-N 317.816 4.100 0 40 DIAB CCCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1C 225727953 LUVHAONCGMTXSP-UHFFFAOYSA-N 307.434 4.318 0 40 DIAB CC[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 226774258 ZEPAXHHKWXUXOW-UHFFFAOYSA-N 320.235 4.033 0 40 DIAB Cc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)O)sc2C)s1 568990901 NSGRQQJDAXAWDO-VIFPVBQESA-N 324.471 4.021 0 40 DIAB OCc1ccc(CSc2nc3ccc(F)cc3s2)cc1 1559465182 VSSDVOQCUADLLQ-UHFFFAOYSA-N 305.399 4.220 0 40 DIAB O=C(c1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775972868 ZLOUOXDFTCOUHN-GJZGRUSLSA-N 303.352 4.212 0 40 DIAB COc1cc(C(F)(F)F)nc2ccc(Br)cc12 169316 JTWZUMVZVZTCLF-UHFFFAOYSA-N 306.081 4.025 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CC[C@@H](c2ccccc2)C1 263489 NBBKDVBHIMTHOJ-CQSZACIVSA-N 300.789 4.361 0 40 DIAB Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)c(C)c1 503242 MMOYBVSXHJKQHZ-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1C 567849 NZOQODNWQIOVKE-SNVBAGLBSA-N 300.427 4.137 0 40 DIAB CCOc1ccccc1NCC(=O)Nc1cc(C)ccc1Cl 3296547 ALUMJKDBYWFVHE-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB COc1ccc(SC(=O)c2cnc(Cl)c(Cl)c2)cc1 4280872 XZJKIOHNJBPVSF-UHFFFAOYSA-N 314.193 4.330 0 40 DIAB CCC[C@@H]1[C@@H](O)[C@@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 4652791 GCUZTKRRUTYKPX-JMMIECQRSA-N 309.453 4.486 0 40 DIAB C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N1C1CCCCC1 4742969 NRUYMSXTSXGBII-AFCKPWEZSA-N 321.464 4.328 0 40 DIAB O=C(/C=C\c1ccco1)NC1c2ccccc2Oc2ccccc21 4769083 WCJILHJFQUUBOM-QXMHVHEDSA-N 317.344 4.304 0 40 DIAB O=C(O)CCCCC(=O)CCCCCCCCCCCO 5287103 SEFYPMDLMWAMLJ-UHFFFAOYSA-N 300.439 4.094 0 40 DIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 5911738 SFENXHDDTGTDQM-BJMVGYQFSA-N 323.392 4.233 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)c1 7951107 UBQVICYJJOFWMP-MRXNPFEDSA-N 324.424 4.001 0 40 DIAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc2ccccc2n1 7979652 FOUBGAXUFWJRDP-UHFFFAOYSA-N 316.813 4.222 0 40 DIAB CC(C)(C)c1nnc2sc(-c3cccc4ccccc34)nn12 8706363 FNAHXVNCFVHXJZ-UHFFFAOYSA-N 308.410 4.304 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 8723214 WHSYUMBWKZAKKI-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1occc1-c1nc(NC2CCCC2)ncc1-c1ccncc1 12222851 PFFXDIFOWOUKMT-UHFFFAOYSA-N 320.396 4.462 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)nc1 12641930 MOSXSCOEPKFENN-UHFFFAOYSA-N 302.377 4.238 0 40 DIAB O=C(NCc1ccccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 12854223 GCZNHAUIWQKOLO-UHFFFAOYSA-N 322.383 4.116 0 40 DIAB Cc1ccccc1[C@H](Sc1nnnn1C1CC1)c1ccccc1 12880646 QQPZFXNSXSJCSZ-QGZVFWFLSA-N 322.437 4.198 0 40 DIAB Clc1cccc(CN(Cc2ccncc2)Cc2cccnc2)c1 13989643 PARFCFKXVFGGCI-UHFFFAOYSA-N 323.827 4.332 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14184566 XPRKKIRQMCKJOE-OAHLLOKOSA-N 322.433 4.316 0 40 DIAB CSc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 22002741 NPMGMKZWCZOLLW-UHFFFAOYSA-N 312.390 4.402 0 40 DIAB O=C(Nc1ccccc1F)c1cccnc1NCc1ccccc1 22072824 NXODFFLKRXILNK-UHFFFAOYSA-N 321.355 4.085 0 40 DIAB CCc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1 22254904 ZGQCSAIXJDDNOL-UHFFFAOYSA-N 318.348 4.389 0 40 DIAB O=C(c1csc2c1CCCC2)N1CC[C@@H]2CCCC[C@@H]2C1 23429258 NRZVOZAAYNWGPL-UONOGXRCSA-N 303.471 4.279 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)cc1 24040847 YSMUHYUIUAAPDV-MOPGFXCFSA-N 311.425 4.420 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)cc3)cc2c1 27388920 GMDKMVCBFAYKLH-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)ccc1C 30848866 VJHVWYPRMOTLOQ-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB O=Cc1nc2ccccc2n1CCOc1ccc2ccccc2c1 41058288 VOVBXGIFUKMDJK-UHFFFAOYSA-N 316.360 4.081 0 40 DIAB CN(C(=O)CSCc1ccccc1Cl)C1CCCCC1 44840794 DNEXMLKARDLMPF-UHFFFAOYSA-N 311.878 4.364 0 40 DIAB S=C(Nc1ccccc1)N1CCC(c2ccc(Cl)cc2)=N1 44973442 KWAAWXAAZMXFAO-UHFFFAOYSA-N 315.829 4.147 0 40 DIAB CN(c1ccc(NC(=O)N2CCCC2)cc1F)C1CCCCC1 58168178 LYHHIFGLPPGISI-UHFFFAOYSA-N 319.424 4.222 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(C)ccc(F)c23)c1 64874843 YTURQGASBHVLIE-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1C(C)C 72219301 PIAYGVBUVGGYOJ-GOSISDBHSA-N 301.478 4.316 0 40 DIAB COCCCCN(C)[C@@H](c1ccc(Cl)cc1)c1ccccn1 95398358 VFNXKOUYOOJQRF-SFHVURJKSA-N 318.848 4.183 0 40 DIAB Cc1cc([C@@H](O)c2ccc(Br)cc2)ccc1Cl 95730318 JAIYZIBWZGAPSC-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CCOc1cccc(=NCc2ccccc2)c2c(C)[nH]c(C)c12 97475377 QLMBVVXPQYFNCJ-UHFFFAOYSA-N 306.409 4.284 0 40 DIAB CCCCC[C@@H](CC)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100921777 LBIKQFGVWXYZPI-NVXWUHKLSA-N 314.429 4.201 0 40 DIAB CCOc1ccc(Cl)c2sc(-n3nc(C)cc3C)nc12 216877743 JGBVSNJAQNBAGQ-UHFFFAOYSA-N 307.806 4.151 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)cc1 225697903 SIXQXSCZMIRQQC-GOSISDBHSA-N 307.434 4.398 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260767822 PGAVMOGYGAHDAI-MUQADHOPSA-N 315.457 4.191 0 40 DIAB CC(=O)N1c2ccccc2C(C)(C)O[C@@H]1C(Cl)(Cl)Cl 98718 OEFAUGUOGQAXKE-LLVKDONJSA-N 322.619 4.001 0 40 DIAB CCOC(=O)[C@H]1C(=C(C)C)[C@]1(C)C(=O)c1ccc(Cl)cc1 108558 ONNCEAVOIAMVSY-PBHICJAKSA-N 306.789 4.058 0 40 DIAB CC(=O)Nc1cccc(OC(=O)Nc2ccc(F)c(Cl)c2)c1 1738513 MYNCVBOZZZLERS-UHFFFAOYSA-N 322.723 4.048 0 40 DIAB CC(C)C[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2344550 VZUIUTWVGFSQKE-NEPJUHHUSA-N 311.809 4.052 0 40 DIAB CCOc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 3218356 RMRZLHHRANTSNF-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB CC(C)(C)C(=O)COC(=O)c1sc2ccccc2c1Cl 3233106 ICJCTZDYASVIBX-UHFFFAOYSA-N 310.802 4.327 0 40 DIAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1 3887830 OEAMTQVYPYFSGQ-UHFFFAOYSA-N 306.365 4.361 0 40 DIAB CC(C)(C)C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479428 FXDGSHSRIUHREK-UHFFFAOYSA-N 314.172 4.028 0 40 DIAB CCCC[C@@H](CC)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4702928 KGJNIKWJNMLLRV-LLVKDONJSA-N 322.474 4.453 0 40 DIAB CSc1ccc2nc(NC(=O)c3cccs3)sc2c1 5299098 ORZDHBMQPFHEDQ-UHFFFAOYSA-N 306.437 4.332 0 40 DIAB Cc1cc2c(cc1Br)C(=O)C[C@@H](c1ccccc1)O2 5541672 UKSQZZJOPLMZMZ-HNNXBMFYSA-N 317.182 4.464 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1cccc2cccnc12 6128088 YXMONEOHMAYOSY-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB CCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6258816 KYWHDXDSEMVJHE-UHFFFAOYSA-N 307.315 4.449 0 40 DIAB CC[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1 7037297 UKDOSUQHWVKQBK-MRXNPFEDSA-N 303.789 4.230 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C 11636850 STHIEXGXWSSHGF-GOSISDBHSA-N 313.397 4.108 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1Cl 13709890 FZUXRTYUZHOCNE-NSHDSACASA-N 324.207 4.077 0 40 DIAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 16097171 KZTIBWAYFKRYOI-UHFFFAOYSA-N 321.401 4.059 0 40 DIAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1 16240984 OLAHZMFKTGYMLW-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1cc(C)ccc1C 20043084 MMTKLBRFZCQMIU-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1F 30853109 JAZWPQTUGLAJKB-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB O=Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1Cl 36905288 VKGLVMFPDCUDMN-UHFFFAOYSA-N 309.074 4.010 0 40 DIAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C1CCC1 39969493 LRTQAVZOAPIROE-UHFFFAOYSA-N 303.789 4.359 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCCC(C)(C)C2)c1 44900366 LWSRLJUBYLLQDJ-INIZCTEOSA-N 303.446 4.028 0 40 DIAB c1csc(-c2nnc(Sc3nc4ccccc4o3)o2)c1 48545719 BVYARGHWXQRDCS-UHFFFAOYSA-N 301.352 4.091 0 40 DIAB C[C@H](c1ccco1)N(C(=O)/C=C/c1nc2ccccc2o1)C1CC1 56182948 QNHFAIJZCAQVGG-OCHBPSSRSA-N 322.364 4.186 0 40 DIAB C[C@@H](CCc1ccccc1)CC(=O)N1CCC[C@@H]1c1ccncc1 58223466 RZHVEMTYAQWHET-FXAWDEMLSA-N 322.452 4.404 0 40 DIAB CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccncc1 70727096 YHROCOCAJGKBJF-CYBMUJFWSA-N 300.427 4.073 0 40 DIAB Cc1ncsc1CN(C)C(=O)C(C)(C)c1cccc(Cl)c1 71914738 VJLUTDPNLOFXNF-UHFFFAOYSA-N 322.861 4.041 0 40 DIAB Cc1c(CN2CCC[C@@H]2c2ccccn2)[nH]c2ccc(F)cc12 72170446 LZQJVRJEMZMFAA-LJQANCHMSA-N 309.388 4.348 0 40 DIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1C(F)(F)F 72281735 SYWMENDHNPXQLW-UHFFFAOYSA-N 304.271 4.439 0 40 DIAB O=C(NCc1ccc(-c2ccccc2)o1)N1CCCCCCC1 84562717 ZEHRIFIVJKDOKS-UHFFFAOYSA-N 312.413 4.422 0 40 DIAB Cc1nnc([C@H](C)Nc2ccc(SC(F)(F)F)cc2)o1 95395912 ZBKBDVIQGWYBBE-ZETCQYMHSA-N 303.309 4.163 0 40 DIAB O=C([C@H]1CCCc2ccccc21)N(CC(F)(F)F)C1CCC1 95963979 IDHXDRBCCPYGTK-HNNXBMFYSA-N 311.347 4.050 0 40 DIAB CCc1nnc(CNc2c(Cl)cc(Cl)cc2Cl)o1 97081229 ZTVIXQGCGAFURT-UHFFFAOYSA-N 306.580 4.204 0 40 DIAB C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@H]1CC2 103213850 PVBHAUBUOVCYIN-YALWORMISA-N 322.445 4.185 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(C)c1 224065951 GZDIYEJRZIJPGQ-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224978312 SULPUIJMEZLYCM-UHFFFAOYSA-N 324.424 4.246 0 40 DIAB CCOc1ccc(-c2noc(-c3ccc(N)cc3Cl)n2)cc1 225172649 VKIVUNFRPWMPLD-UHFFFAOYSA-N 315.760 4.038 0 40 DIAB COc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632473 LNXGKCZAIPIWKY-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB Cc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccccc2)n1C 409200544 MJYAYESKMIUJGK-VXPUYCOJSA-N 322.433 4.112 0 40 DIAB Cc1cc(C(F)(F)F)nc(SCc2ccc(F)cc2)n1 409386339 SKEYDCNGIRHPQO-UHFFFAOYSA-N 302.296 4.235 0 40 DIAB CC1(C)CN(CCn2ccc3cc(Cl)ccc32)CC(C)(C)O1 1559756553 BWDASSCFZGSHQC-UHFFFAOYSA-N 320.864 4.184 0 40 DIAB Cc1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 130069 JZTYFQXKMKECHG-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1cccc(Cl)c1 381333 SLTMTRIXKJHLCR-UHFFFAOYSA-N 303.770 4.307 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccccc2F)c(C)c1 568402 HBAUWDSWLSGLFE-UHFFFAOYSA-N 300.377 4.233 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)c2cccc(C)c2)cc1 2065815 UOLROCJGOAWWTQ-UHFFFAOYSA-N 312.365 4.171 0 40 DIAB Cc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1C 2118831 FXGUVMWPHLTZSL-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic O=C(c1cccc(CN2CCC2)c1)c1cccc(C(F)(F)F)c1 2515133 CIMXLOKWUQCXTR-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB O=C(C=Cc1ccc(OC(=O)c2ccco2)cc1)c1ccccc1 4267826 WLMCFXQYYXNBHT-UHFFFAOYSA-N 318.328 4.395 0 40 DIAB biogenic O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1F 4471756 XTDZWVGXTNTZHO-PDGQHHTCSA-N 317.319 4.323 0 40 DIAB Cc1ccc(NC(=O)C2(c3cccs3)CCOCC2)c(C)c1 4478984 RHIFKSJASZLIDT-UHFFFAOYSA-N 315.438 4.052 0 40 DIAB CCCCSc1nc(N)c2c3c(sc2n1)CCCCC3 4817201 PGRHOCKBXVVQDD-UHFFFAOYSA-N 307.488 4.435 0 40 DIAB CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 5262286 WBYNFPXAEYYKPV-UHFFFAOYSA-N 309.818 4.012 0 40 DIAB Cc1ccc(CC(=O)Nc2cccc(Br)c2)c(C)c1 5268104 NXLUBPHDIOQFPT-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)o1 5824440 PUNIOQQVCJXPPX-LLVKDONJSA-N 303.427 4.047 0 40 DIAB COc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 6478555 HACVHECYKCWWCZ-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1F 12762058 NTJNNQKIPYFKQX-UHFFFAOYSA-N 306.340 4.448 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)C1(c2ccc(F)cc2)CCC1 12793387 YSAJHDVTOAUFTA-UHFFFAOYSA-N 309.384 4.375 0 40 DIAB COCc1c(C(=O)N[C@H](C)c2cccs2)oc2ccccc12 14199465 UQOUKBLISPNBEZ-LLVKDONJSA-N 315.394 4.132 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@@H]1C 14738176 MPDBKERXMFOIEE-STQMWFEESA-N 315.800 4.085 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCc2ccccc21 16524749 UHOZONWCPHQGLK-UHFFFAOYSA-N 310.441 4.118 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)c3coc(C)n3)ccc21 22538445 GGKUZBQZNUZVLN-UHFFFAOYSA-N 319.364 4.363 0 40 DIAB Cc1cc(Nc2nc(-c3ccc4c(c3)CCC4)cs2)n(C)n1 24832213 BTHJIZYVFINFTQ-UHFFFAOYSA-N 310.426 4.084 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1C 30755281 ZVCVEIRXRNSZQF-INIZCTEOSA-N 309.409 4.050 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)s1 32609608 MQCMAXORBPUKLH-UHFFFAOYSA-N 317.801 4.148 0 40 DIAB COc1ccc(CN[C@H](c2cccs2)C(C)C)c(OC)c1 35016957 AHFIUEXVCGUSMJ-KRWDZBQOSA-N 305.443 4.252 0 40 DIAB CC(C)c1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 36730802 VJHQSSHDXGMLAI-KRWDZBQOSA-N 309.365 4.050 0 40 DIAB CC[C@@H]1CCCN(C(=O)Nc2ccccc2Br)C1 40095170 FRBGXUDMBOLVDN-LLVKDONJSA-N 311.223 4.103 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C)c1C 40095309 YXMDNGUFHKERHA-UHFFFAOYSA-N 300.377 4.497 0 40 DIAB CSCc1nnc(SCc2csc3ccccc23)o1 40555749 VQGUOLPCUWKQIT-UHFFFAOYSA-N 308.453 4.440 0 40 DIAB O=C(NCc1ccc(Br)cc1)c1ccccc1Cl 48817125 GGQXAXJYSKFTOB-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB Nc1cc(Nc2cccc(Cl)c2)nc(-c2ccc(F)cc2)n1 49467937 DRJWNGJIFVNXSK-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB Cc1nn(C)c2c1[C@@H](c1ccc(C(C)C)cc1)SCC(O)=N2 49548086 RGRQRMSWCXZZBE-MRXNPFEDSA-N 315.442 4.276 0 40 DIAB C[C@@H](c1ccncc1)N(C)C(=O)c1cc2c(F)cccc2s1 58216961 XEHOFWHPXUJULY-NSHDSACASA-N 314.385 4.269 0 40 DIAB O=Cc1c(-c2ccc(Cl)cc2Cl)nc2ccc(F)cn12 61997513 WEVOBGRMMZUTRZ-UHFFFAOYSA-N 309.127 4.260 0 40 DIAB Cc1cc(C(=O)Nc2ccc3ccccc3n2)c(C)n1C1CC1 70878985 FIRDPXDJHYJPBQ-UHFFFAOYSA-N 305.381 4.240 0 40 DIAB CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 71282251 ZEUGAFVXIXMRAM-CQSZACIVSA-N 321.380 4.198 0 40 DIAB CC[C@@H](Nc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C 72207635 FVHWIJLPMPZHJQ-CVEARBPZSA-N 306.450 4.426 0 40 DIAB CCCCNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213655 DDKZRFDASOQKAW-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB CCc1cc2c(N3[C@H]4CCCC[C@@H]4C[C@H]3C)ncnc2s1 72301725 NTNPFHBRBFDTDO-JMSVASOKSA-N 301.459 4.411 0 40 DIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccc(Cl)c(Cl)c1 95096031 DBJJGKJZPVAWCW-XCBNKYQSSA-N 301.091 4.012 0 40 DIAB C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl 95968155 XPUULFNWWCDUDS-SRVKXCTJSA-N 313.272 4.269 0 40 DIAB CCC[C@@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 96116154 LKTSPRMRMRAWMK-LJQANCHMSA-N 321.461 4.394 0 40 DIAB biogenic Cc1cnc(NC(=O)c2nc(Cl)sc2CC(C)C)s1 96223293 GUSGPDPLSRBPPV-UHFFFAOYSA-N 315.851 4.012 0 40 DIAB CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2cccs2)cs1 107138031 PRUSFIRBZBVLOR-NEPJUHHUSA-N 310.488 4.495 0 40 DIAB CCOC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)s1 199567386 GRNZDYXCUKXJAB-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(F)c1 225143368 BNZCCAWBMJIBJN-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB Cc1ccccc1NC(=O)N[C@H](C)Cc1cc2ccccc2o1 244947639 DUHUELNPVUHFDM-CQSZACIVSA-N 308.381 4.494 0 40 DIAB Cc1ccc2oc(C(N3CCCCC3)N3CCCCC3)nc2c1 255190260 VYWOHIFFGPJORL-UHFFFAOYSA-N 313.445 4.107 0 40 DIAB OCc1cc(-c2cccs2)nc2ccc(C(F)(F)F)cc12 685937746 ZETGDKYBBGJATJ-UHFFFAOYSA-N 309.312 4.474 0 40 DIAB O=C(Nc1c(F)cccc1F)C1(c2ccccc2)CCCC1 2512733 UCCKJGBPHXBTSK-UHFFFAOYSA-N 301.336 4.415 0 40 DIAB COc1ccccc1CC(=O)Nc1ccc(SC(F)F)cc1 2632636 PCWIUIZWOOKCME-UHFFFAOYSA-N 323.364 4.191 0 40 DIAB O=C(CCCOc1ccccc1)N[C@H]1CCCc2ccccc21 3358466 IREMGPLXOCXKEQ-IBGZPJMESA-N 309.409 4.039 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OC(F)F 3362693 HPVAXLFXGQDDKM-OAHLLOKOSA-N 317.335 4.095 0 40 DIAB C[C@H]1Cc2ccc3c(c2[C@@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 4098844 HTUIKPYRGODLDO-VNBZBWLYSA-N 324.376 4.104 0 40 DIAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 5447471 IDSGYYPVCFUWSX-UHFFFAOYSA-N 324.767 4.343 0 40 DIAB Cc1nc(Nc2ccc(C(=O)O)cc2)c2c(C)c(C)sc2n1 5451264 KBZIASQEFLYAKA-UHFFFAOYSA-N 313.382 4.058 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)cc1 7037325 IRPJIBDKMFRYJF-QGZVFWFLSA-N 317.816 4.159 0 40 DIAB Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)O)c(C)c1 8368567 HZUXPWANWZYLFG-DJKKODMXSA-N 317.772 4.171 0 40 DIAB CCc1ccc(-c2csc(NC(=O)c3ccncc3)n2)s1 9387519 VEVJXUQSVFEWHR-UHFFFAOYSA-N 315.423 4.081 0 40 DIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12532189 RRBQZGOPYXKXID-HNNXBMFYSA-N 320.396 4.063 0 40 DIAB CCCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 12578019 CEGZXHJQERJEJU-NSHDSACASA-N 323.849 4.066 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccccc2Cl)c1 14573364 FRKAFDNATNMHHD-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB Cc1cc2c(cc1C)[C@H](c1ccc(Br)cc1)NCC2 19735369 MTYGNMQSSCQVBJ-KRWDZBQOSA-N 316.242 4.301 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1 20450920 AORMDBDDQBXXAD-INIZCTEOSA-N 303.789 4.445 0 40 DIAB C[C@H]1CCc2onc(C(=O)Nc3ccccc3C(F)(F)F)c2C1 20572148 COYOWEVHNUBMHT-VIFPVBQESA-N 324.302 4.071 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 24958027 SOEGLQDJYZWHRL-DLBZAZTESA-N 311.425 4.257 0 40 DIAB O=C(Nc1ccccc1F)c1cnn(-c2ccccc2)c1C1CC1 28268649 FWUYVQIIZJJWDC-UHFFFAOYSA-N 321.355 4.141 0 40 DIAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(OC(F)(F)F)cc1 31952803 RNSYCWOWAHOJIU-DGCLKSJQSA-N 313.319 4.119 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2c1C 32975206 BCUUHPNVZCJQEP-GFCCVEGCSA-N 304.393 4.376 0 40 DIAB CCOc1cc(CO)cc(Cl)c1OCc1cccc(C)c1 34772892 NAZDZMMRAKUHAM-UHFFFAOYSA-N 306.789 4.118 0 40 DIAB O=C(O)CC1(CC(=O)c2ccc(Cl)s2)CCCCC1 37364762 WKADSFHQRQDZSI-UHFFFAOYSA-N 300.807 4.400 0 40 DIAB in-vitro COc1ccc(Cl)cc1NC(=O)N[C@@H](C)c1ccc(C)o1 40096163 MELWHWKTPWYQJO-JTQLQIEISA-N 308.765 4.133 0 40 DIAB CC(C)c1ccccc1NC(=O)NCc1cc(F)cc(F)c1 40097301 UHVJWDWDTYFJNE-UHFFFAOYSA-N 304.340 4.410 0 40 DIAB Cc1cc(C)c2oc(Nc3nc4ccc(N)cc4s3)nc2c1 57352655 RGYQOJWCFVIEHM-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB CCCN(CCC)C(=O)Nc1ccc2oc(C3CC3)nc2c1 58010522 BHNVYPODIDCFJV-UHFFFAOYSA-N 301.390 4.359 0 40 DIAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1Cl 59409094 UUEVWFQEVDYEFV-HNNXBMFYSA-N 304.802 4.045 0 40 DIAB CCOc1cc(C(=O)N(C)Cc2cccs2)cc2occc12 72240114 JKFOAINWMSIDNV-UHFFFAOYSA-N 315.394 4.165 0 40 DIAB Cc1cc(C)c2oc(NC(=O)[C@@H]3Cc4ccccc4S3)nc2c1 72313707 BPNTXTQIGYRIRC-HNNXBMFYSA-N 324.405 4.100 0 40 DIAB CC(=O)Nc1ccc(NC(=O)C(C)(C)CC(C)C)c(Cl)c1 79055111 HLOCDGNMRZDCNN-UHFFFAOYSA-N 310.825 4.309 0 40 DIAB CCC[C@H]1CCCN(C(=O)c2nc(OCC)ccc2Cl)CC1 84740736 MJFANIVXRXKGRO-ZDUSSCGKSA-N 324.852 4.176 0 40 DIAB CCc1noc(CC)c1CN[C@H](C)c1c(C)nn(C(C)C)c1C 95969160 SBCFPMDTBLBFME-GFCCVEGCSA-N 318.465 4.044 0 40 DIAB O=C(Nc1ccc2ncccc2c1)c1ncc(-c2ccccc2)o1 206586349 FHWLWYVKIXYNAW-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB COC(=O)c1ccc(OCc2ccccc2Cl)c(Cl)c1 216813649 DYRVQSKHVWETNY-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB CCNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224332786 BOJYTUOVZWIKDX-UHFFFAOYSA-N 315.438 4.046 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CSCc1ccc(F)cc1 224378816 OZLMHAAOANSTOS-CQSZACIVSA-N 311.466 4.392 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N2c3ccccc3C[C@H]2C)c1 224816446 CUAPUDPXQKYLKH-MRXNPFEDSA-N 323.436 4.475 0 40 DIAB O=C(NCc1ccnc(-c2cccs2)c1)Nc1cccs1 225652450 VVBXTMNLPPXRGM-UHFFFAOYSA-N 315.423 4.193 0 40 DIAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860330 RZACEKMJBALHAI-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB COc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 38511 SAIVTVARMCZLCL-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2F)cc1 101094 HDZOEGPWXKIMGB-UHFFFAOYSA-N 301.361 4.141 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3)ccc2c1 103460 LCSGTBKEHQPHFM-HNNXBMFYSA-N 319.404 4.268 0 40 DIAB O=C1N[C@H](c2cccc3ccccc23)Nc2ccc(Cl)cc21 1716255 ZGIFEPWYKKDPTK-QGZVFWFLSA-N 308.768 4.347 0 40 DIAB CSc1ccc(C(=O)c2ccccc2CN2CCCC2)cc1 2515555 XPEXZLPKQQOONB-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB Cc1ccc2c(c1)Cc1c(S)nc(-c3ccccc3)nc1O2 2691202 PMTHVCVDXPUXQH-UHFFFAOYSA-N 306.390 4.437 0 40 DIAB Cc1cc(C)c(NC(=O)c2cccc(OC(F)F)c2)c(C)c1 3547888 PXMDOPHPPIPJDC-UHFFFAOYSA-N 305.324 4.466 0 40 DIAB CC(=O)Oc1cccc2ccc(/C=C/c3ccc(F)cc3)nc12 3903959 KIQGKSLFRYTHNJ-YRNVUSSQSA-N 307.324 4.470 0 40 DIAB NC(=O)[C@@H]1C(c2ccccc2)=C(c2ccccc2)c2ccccc21 5064141 JCHVPFVIYOQRAN-NRFANRHFSA-N 311.384 4.228 0 40 DIAB Clc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 5381028 RGGYAASMJAHWRS-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 6954206 HFZXILJZBOWVAM-BIENJYKASA-N 321.376 4.220 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 9142037 TUPNDQNQJBCKFM-UHFFFAOYSA-N 321.376 4.445 0 40 DIAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccncc2)c1 9157338 ZVQZKSUQKJMDPZ-IBGZPJMESA-N 315.376 4.161 0 40 DIAB Cc1ccc(C)c([C@@H](C)CNC(=O)c2cccc3cccnc23)c1 9314989 WJJKZASTASESFC-INIZCTEOSA-N 318.420 4.385 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)s1 12274444 LDWHWLCUAUSBSS-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB Cc1ccc(C)c(NC(=O)Cc2cc(-c3ccccc3)on2)c1 12422132 UEDYFFRABQCURO-UHFFFAOYSA-N 306.365 4.140 0 40 DIAB CN(C(=O)c1ccc(Cl)cc1F)[C@@H]1CCc2ccccc21 12865965 WYELWIUMJQOTCA-MRXNPFEDSA-N 303.764 4.239 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708291 SFKCPNLPQVEUHP-INIZCTEOSA-N 319.404 4.232 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 14397748 IJZJSMMKFJCZPN-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB COc1ccc2c(c1)C=C(C(=O)Nc1cc(C)cc(C)c1)C=CO2 15838767 LXMPJYVDZQACIR-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl 16024431 QMZTWGMRBIAMJS-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB c1ccc(OCC2CCN(Cc3cc4ccccc4o3)CC2)nc1 19376280 XGFMHMDPNCFSEE-UHFFFAOYSA-N 322.408 4.119 0 40 DIAB Cc1ccc2[nH]c(C(=O)O)c/c(=N\c3ccc(C)c(C)c3)c2c1 21657760 OAXXREISDOMACF-UHFFFAOYSA-N 306.365 4.024 0 40 DIAB O=C(Nc1cccc2ncccc12)c1cc(Cl)c(Cl)[nH]1 23621024 PJKUITJBMLDBPW-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)cc1C 27557164 LVVRGRQZWWNRPK-OAHLLOKOSA-N 314.404 4.074 0 40 DIAB C[C@@H]1CCc2sc(C(=O)Nc3nc4ccccc4o3)cc2C1 32738391 SCEUGASVQAOXGH-SNVBAGLBSA-N 312.394 4.266 0 40 DIAB O=C(NCc1cccs1)c1ccccc1SC(F)(F)F 32816037 BZLNCSDLRCPKJN-UHFFFAOYSA-N 317.357 4.290 0 40 DIAB CC1=NN(c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)CC1 32925976 OWSMCPCEJIUBBJ-UHFFFAOYSA-N 307.397 4.142 0 40 DIAB O=C(Nc1ccccc1Cl)c1ccc(N2CCCC2)cc1 36139686 WOYWVNILHCYGTQ-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB CCN(C(=O)Nc1ccccc1OC)[C@@H](C)c1ccc(F)cc1 40150514 HDQJGNXTLNRVTH-ZDUSSCGKSA-N 316.376 4.449 0 40 DIAB Cc1cc(Br)cnc1N1CCCc2ccccc21 42783646 XHWIHOSUONLAAE-UHFFFAOYSA-N 303.203 4.237 0 40 DIAB O=C(CSc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 48339839 NKEWVCWVMBDPFT-KRWDZBQOSA-N 315.413 4.282 0 40 DIAB COCc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 70039032 KDQZZANMXMUMER-FQEVSTJZSA-N 321.420 4.125 0 40 DIAB C[C@@H]1C[C@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 75134638 GCGVPMCXKSWDRY-ZWNOBZJWSA-N 318.336 4.063 0 40 DIAB Cc1cc([C@@H](C)NCc2ccc(C3OCCO3)cc2)c(C)s1 95422394 WMGRTIZVLFBTRI-CYBMUJFWSA-N 317.454 4.261 0 40 DIAB O=C(c1ccc(F)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 95916162 RDLBMZFVSZMDJH-UHFFFAOYSA-N 324.607 4.406 0 40 DIAB Fc1ccc([C@H](NC2CCCCCCC2)c2ncon2)cc1F 95988503 TUZAUBAKZAVGGS-INIZCTEOSA-N 321.371 4.140 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1ccc(Cl)cc1)C2 103422869 AFBUFMBELISYHX-JOQOYGCGSA-N 305.849 4.214 0 40 DIAB CC(=O)c1cc(Cl)c(Cl)cc1OCc1ncc(C)o1 193102156 XGDJEOOTXUAQLM-UHFFFAOYSA-N 300.141 4.071 0 40 DIAB Cc1ccc(S[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225029504 MSICHEQSOCSZHM-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@H](C)C1 225660719 SLKPOYSFSLAESI-KBXCAEBGSA-N 305.418 4.009 0 40 DIAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)c1 504577053 GBQXTXMUNZKESR-GUDVDZBRSA-N 323.392 4.293 0 40 DIAB O=C(Cc1cccs1)c1cccc(OC(F)(F)C(F)F)c1 575361385 ZSHQSOPOPHOEMW-UHFFFAOYSA-N 318.291 4.410 0 40 DIAB O=C(NC1CC1)c1ccccc1SCc1ccc(F)cc1 134000 GEMDDQCXJPAZSH-UHFFFAOYSA-N 301.386 4.010 0 40 DIAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1 235191 DHYFQDJXQAWPOL-UHFFFAOYSA-N 306.340 4.064 0 40 DIAB COc1ccc(C)cc1NC(=O)c1ccc(Br)cc1 342781 RIHGGBCUHJGZJX-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 4104129 BOJZANBINRRYGV-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB COc1ccc(-c2cn3cc(-c4ccc(F)cc4)nc3n2C)cc1 4678401 RMXWGRJIHSCATO-UHFFFAOYSA-N 321.355 4.155 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 5467700 XGAMINBELZRLFP-KGLIPLIRSA-N 311.853 4.440 0 40 DIAB Cc1ccc(C)c(OCCC(=O)NCc2cccc(Cl)c2)c1 6377586 RJZKJVYLISDTOX-UHFFFAOYSA-N 317.816 4.042 0 40 DIAB Cc1ccc2cc(COC(=O)c3ccco3)c(Cl)nc2c1C 7167054 ORYXCFDKEDNCSA-UHFFFAOYSA-N 315.756 4.455 0 40 DIAB CCn1c(C)nc2cc(-c3nnc(Nc4ccccc4)o3)ccc21 7778862 GARWYCIEUZIZQF-UHFFFAOYSA-N 319.368 4.158 0 40 DIAB CCC(CC)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 8939054 JDLHIGYCBHSIDJ-UHFFFAOYSA-N 322.861 4.311 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)c(C)c1 12676541 OVPQPXDZFXRQED-OXJNMPFZSA-N 322.452 4.371 0 40 DIAB C[C@H](NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 14184565 BCWPODDUMQOMTI-JTQLQIEISA-N 311.278 4.336 0 40 DIAB Cc1ccc(OCCN(C)C(=O)c2oc3ccccc3c2C)cc1 14247349 RFLUKORPTHIDNC-UHFFFAOYSA-N 323.392 4.201 0 40 DIAB O=C(O)c1cc(Nc2ccc(F)cc2)c2cccc(Cl)c2n1 21657726 QMQVOVNSMBTUMB-UHFFFAOYSA-N 316.719 4.469 0 40 DIAB COc1ccc(/C=C/c2nc3ccccc3o2)c(OC)c1OC 23986974 MREBOLIJUYZIPV-PKNBQFBNSA-N 311.337 4.024 0 40 DIAB CSc1c2c(nn1-c1ccc(F)cc1)-c1ccccc1CC2 26897130 IWUBWXZXZFZYJC-UHFFFAOYSA-N 310.397 4.499 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1 27218362 YLLWRYLELGELQY-LBPRGKRZSA-N 302.443 4.174 0 40 DIAB CC(C)[C@H](NC(=O)CCc1ccco1)c1ccc(Cl)cc1 32883680 YXIHNJXWFGBJIO-KRWDZBQOSA-N 305.805 4.379 0 40 DIAB CN1C(=O)/C(=C/c2ccc(OC(F)(F)F)cc2)c2ccccc21 40018083 GOCSHBMDTWRWOY-GXDHUFHOSA-N 319.282 4.102 0 40 DIAB COc1ccc(Nc2ccnc3c(F)cc(F)cc23)c(OC)c1 54202463 FMIYMSRMLQZWJK-UHFFFAOYSA-N 316.307 4.274 0 40 DIAB Nc1nc(Cl)cc(Nc2ccc(NCC3CCCC3)cc2)n1 58217555 WXXVXFZQHVCZMX-UHFFFAOYSA-N 317.824 4.058 0 40 DIAB Cc1sc(NC[C@@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 71804264 KRXCXICFOVWSCA-INIZCTEOSA-N 314.454 4.198 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N1CCCCC[C@H]1c1ccncc1 77639219 KAJZBALTQZDVEM-IBGZPJMESA-N 319.408 4.320 0 40 DIAB CCC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 84577238 HLFOKKMIPYUQRT-UHFFFAOYSA-N 319.792 4.396 0 40 DIAB CCC[C@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 96116153 LKTSPRMRMRAWMK-IBGZPJMESA-N 321.461 4.394 0 40 DIAB biogenic CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 113954000 YXLYXTWBRXUKJA-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB C[C@@H](O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118931196 AGHPIIDSYAFAJL-DASLHKFDSA-N 316.485 4.227 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@](C)(CCC)OC)cc1C 225613424 SJOQKXJZAVUBJP-SFHVURJKSA-N 307.434 4.236 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)c(OC)c1 147328 CMSNOHDCAAOFKW-ONNFQVAWSA-N 317.772 4.009 0 40 DIAB Fc1ccc(COc2ccccc2C(=S)N2CCCC2)cc1 366343 IKMAGILBALHHQY-UHFFFAOYSA-N 315.413 4.176 0 40 DIAB Cc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 477362 FMVLCQZGWQQOOW-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB NC(=O)C1(Nc2ccc(-c3ccc(Cl)cc3)cc2)CCCC1 1686499 GXLJNTUXLQXSRQ-UHFFFAOYSA-N 314.816 4.217 0 40 DIAB Cc1cc(C)cc(C(=O)OCc2ncc(-c3ccccc3)o2)c1 7440220 NBYDYDSUBRKXKV-UHFFFAOYSA-N 307.349 4.315 0 40 DIAB Cc1ccccc1NC(=O)CCSc1ccc(F)c(F)c1 7918150 WXWDBCGCUVHXKK-UHFFFAOYSA-N 307.365 4.394 0 40 DIAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 8072176 QLGQORFZQIVWMD-UHFFFAOYSA-N 318.442 4.237 0 40 DIAB O=C(c1csc(-c2ccsc2)n1)N1CCc2ccccc21 8429509 IJYXCHGILIEIHU-UHFFFAOYSA-N 312.419 4.075 0 40 DIAB in-vitro CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C 8558155 ITUJHJWSCKNUJC-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB CCOc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 12492967 YMZJUKUVWYRZNE-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13689132 VWNVYPZVDXDJLH-CQSZACIVSA-N 321.376 4.254 0 40 DIAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1 14115856 GUZGBYBADONCLR-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB Cc1ccc(SCCNC(=O)c2cc3ccccc3o2)cc1 14803527 JSSSEONTLICBES-UHFFFAOYSA-N 311.406 4.263 0 40 DIAB COc1ccc2c(c1)CC1=C2CC[C@]2(C)C1=CCC[C@@H]2OC(C)=O 16321667 JGFILNAUHJYOTK-LEWJYISDSA-N 324.420 4.457 0 40 DIAB CN(C)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 18192260 LEXDZVDGORDRRF-UHFFFAOYSA-N 321.424 4.195 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2ccccc2C1 20486733 JDSFTSUPGMNKTQ-FQEVSTJZSA-N 323.436 4.046 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)s1 24070002 YAWDADBKCHFYJW-UHFFFAOYSA-N 315.847 4.128 0 40 DIAB CC[C@@H](NC(=O)c1ccc(C)nc1Cl)c1ccc(C)cc1 32932198 QUTOKZMUQOYESS-OAHLLOKOSA-N 302.805 4.233 0 40 DIAB CNCc1ccc(Br)cc1Oc1ccc(C)cc1 34664101 MRAVFDPXTDKUSM-UHFFFAOYSA-N 306.203 4.269 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 40103186 FOWWRRCYFWGCPE-SNVBAGLBSA-N 324.302 4.310 0 40 DIAB CNC(=S)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 55004165 XELHZBZCDXVUCX-UHFFFAOYSA-N 310.344 4.289 0 40 DIAB COc1ccc2nc(Nc3nc4cc(C)ccc4o3)sc2c1 57352996 CVSGTOYBIVSHFS-UHFFFAOYSA-N 311.366 4.498 0 40 DIAB O=C(Nc1ccccc1)c1cccc(CN2CCCCCC2)c1 58368525 RYSFHKWSIHORIY-UHFFFAOYSA-N 308.425 4.315 0 40 DIAB CCN(CC)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72212886 VTZBYLVEMSRNGK-LJQANCHMSA-N 309.457 4.265 0 40 DIAB COc1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)c1 89470099 BEFMXIIVCVDZBB-UHFFFAOYSA-N 322.364 4.153 0 40 DIAB COc1ccc2cc(C(=O)C(F)(F)C(F)(F)F)ccc2c1 95917129 DYJCJKNIZRSUIY-UHFFFAOYSA-N 304.214 4.229 0 40 DIAB Cc1cccc(C2(CN[C@H](C)c3nnc(C)o3)CCCCC2)c1 95958779 HSJONVPTOFRTOI-OAHLLOKOSA-N 313.445 4.239 0 40 DIAB CCN(Cc1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 102089497 FIKCKIVWJDRGEG-ZJOUEHCJSA-N 312.501 4.162 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1ccc(C)c(Cl)c1 109767334 WPUDPQRWUGHHFX-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 113954246 AVMKDRRKMQTJGV-BEFAXECRSA-N 323.436 4.210 0 40 DIAB Oc1cccc2cc(Br)c(Br)cc12 196685622 DDYDWJNNWZCZRR-UHFFFAOYSA-N 301.965 4.070 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCC1 216387084 MYGKPFRMROFMSK-IBGZPJMESA-N 311.425 4.398 0 40 DIAB Nc1ccc2nc(-c3ccc(Cl)c(Br)c3)oc2c1 216744654 FFMVYBRWGJRRMJ-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB Cc1ccnc(N(Cc2ccccc2F)C(=O)OC(C)(C)C)c1 228955709 MQPLOXCWORACCF-UHFFFAOYSA-N 316.376 4.471 0 40 DIAB Cc1cccc(Nc2cccc(C3CCN(C(C)C)CC3)n2)n1 257208414 BMBHYKPWQFIKLV-UHFFFAOYSA-N 310.445 4.116 0 40 DIAB c1ccc2c(c1)cnn2[C@H]1CCN(c2nc3ccccc3s2)C1 511317628 YXQTYWGBHSZXIH-AWEZNQCLSA-N 320.421 4.097 0 40 DIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1F 575620036 HVRQWNDMIJKVKD-GFCCVEGCSA-N 313.397 4.401 0 40 DIAB COc1ccc(-c2cc(C(=O)OC(C)C)c3ccccc3n2)cc1 71149 INMJJMHZEFGGNE-UHFFFAOYSA-N 321.376 4.476 0 40 DIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(O)cc1 81004 JCFRINLEFVVBIB-UHFFFAOYSA-N 322.364 4.169 0 40 DIAB O=C(Nc1cnc2ccccc2c1)NC1(c2ccccc2)CC1 92875 UPXCBBPQNFFUIM-UHFFFAOYSA-N 303.365 4.046 0 40 DIAB CCSc1nc2c(Cl)cccc2c(=O)n1-c1ccccc1 306472 BHYUQLIWSDARDF-UHFFFAOYSA-N 316.813 4.151 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2C)cc1 421409 XVGBTVDPYGYOTM-UHFFFAOYSA-N 309.438 4.391 0 40 DIAB Cc1nc(N2C[C@H](C)C[C@@H](C)C2)c2c3c(sc2n1)CCCC3 753853 QCJPRMJXDIUYRI-VXGBXAGGSA-N 315.486 4.361 0 40 DIAB CCCCCC(=O)NC(=S)Nc1cccc2ccccc12 2052179 LHHFREKDBRWCES-UHFFFAOYSA-N 300.427 4.233 0 40 DIAB c1ccc(-c2nc(NCc3ccccn3)c3ccccc3n2)cc1 5935556 BGBGFDLEUDYUPU-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB Cc1ccc2c(CC(=O)Nc3cccc4ncccc34)coc2c1 6206737 WMWDRLJBPGFJPU-UHFFFAOYSA-N 316.360 4.471 0 40 DIAB CC(C)c1ccc(CCNC(=O)Cc2ccccc2Cl)cc1 6881587 IZOCZNQBVOSQRV-UHFFFAOYSA-N 315.844 4.365 0 40 DIAB COCCOc1ccccc1C(=O)Nc1cccc2ccccc12 8723010 FAKUGKVPXBDAGC-UHFFFAOYSA-N 321.376 4.117 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1CCCCC1 12572165 AWUIAYNQLHMDRX-OIISXLGYSA-N 324.461 4.114 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1F 12762181 QHVLPXOEHSVPCU-UHFFFAOYSA-N 320.367 4.126 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 13816158 AMMRKWXIFCKVDM-NSHDSACASA-N 306.381 4.321 0 40 DIAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccnc2)cc1 15436320 LERXISGCKPVMER-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB CCc1ccc2c(CC(=O)Nc3ccccc3OC)coc2c1 21043096 RYYQLPTVCIFYJM-UHFFFAOYSA-N 309.365 4.185 0 40 DIAB O=C(Nc1cccc2ccccc12)c1ccc(-n2cccn2)cc1 21796380 IFDOSRYBJAZRMM-UHFFFAOYSA-N 313.360 4.278 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)cc1 30604848 RNNBXYBZLIXYML-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB Cc1ccn2cc(CSc3nccc4ccccc34)nc2c1 36242366 OJFGHUAMQHCBDX-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB CCCCc1ccc(C(=O)Nc2sccc2C(=O)O)cc1 37450753 UOYBOZZOXRKGCV-UHFFFAOYSA-N 303.383 4.041 0 40 DIAB in-vitro COc1ccc(F)cc1-c1csc(NC(=O)C2CCCC2)n1 40111283 HKYUCIBWTONHJS-UHFFFAOYSA-N 320.389 4.087 0 40 DIAB Cc1oc(-c2ccccc2)nc1CN(Cc1ccccn1)C(C)C 40153682 YFVXISZNQSJQBD-UHFFFAOYSA-N 321.424 4.456 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCc3sccc3[C@H]2C)c1 43237776 SORCTNXBGDPXLY-LLVKDONJSA-N 314.410 4.102 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 59351180 KJAPXXVMDWCQFJ-INIZCTEOSA-N 311.425 4.122 0 40 DIAB Cc1nc(CN2CCC[C@@H]2Cc2ccccc2Cl)oc1C 64249452 OEYVADIEZSJYRJ-OAHLLOKOSA-N 304.821 4.152 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N(Cc1ccsc1)C1CC1 67074350 QRJKLLZUOAEGAP-UHFFFAOYSA-N 323.820 4.274 0 40 DIAB Fc1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 67444100 XPSIHWWZZVVGAP-UHFFFAOYSA-N 323.371 4.040 0 40 DIAB CCN(C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72212742 YRULCNPQPIMKLV-IBGZPJMESA-N 309.457 4.265 0 40 DIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1Cc1ccccc1 72218849 RIWYUERLBIOFKN-FQEVSTJZSA-N 321.468 4.327 0 40 DIAB C[C@H](NC(=O)c1ccc2ncccc2c1)c1cc2ccccc2o1 75126021 UUHVYKFDZWMDBF-ZDUSSCGKSA-N 316.360 4.472 0 40 DIAB Cc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1Cl 75436999 LYABIORLQKPQIM-UHFFFAOYSA-N 303.793 4.123 0 40 DIAB Cc1ccccc1C[S@@](=O)Cc1cccc(OC(F)F)c1 78555963 VWZOKFFORPVHPU-OAQYLSRUSA-N 310.365 4.045 0 40 DIAB Fc1cc(Cl)c(OC(F)(F)Cl)cc1Br 95215528 XWCBKDSRBMHBIV-UHFFFAOYSA-N 309.896 4.410 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H](Cn2ccc3ccccc32)C1 96345926 WHJDOLJERWXEHS-OAHLLOKOSA-N 314.429 4.288 0 40 DIAB CC(=O)Nc1ccc(N[C@@H](C)c2occc2Br)cc1 97045606 XDVKBDHYHMJPAP-VIFPVBQESA-N 323.190 4.174 0 40 DIAB C[C@H](Sc1nncs1)c1cccc(Br)c1 154110248 KFOAJBDWGKHCHY-ZETCQYMHSA-N 301.234 4.154 0 40 DIAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1C 222784989 JWXVYIGQJLUHFG-SFHVURJKSA-N 315.388 4.089 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223219927 LPSXAOQQAAQIQS-ZFWWWQNUSA-N 319.445 4.129 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225724742 LSZJZGCDITVAOY-IBGZPJMESA-N 319.445 4.318 0 40 DIAB COc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225846927 FNMVGIKKGROZHM-UHFFFAOYSA-N 316.426 4.044 0 40 DIAB Cc1ccc(-c2ccc(C(=O)Nc3nccs3)c(C)n2)cc1 257173292 ISOPTNZYBBHRFV-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257243339 IGMXGKAICVPBDO-MRBRGOBGSA-N 315.457 4.156 0 40 DIAB C(=C/c1ccc(-c2cn3ccccc3n2)cc1)\C1=NCCS1 387397 DRDGGCSPTPMVOL-RMKNXTFCSA-N 305.406 4.160 0 40 DIAB C[C@H]1c2ccccc2[C@H](C)C[C@H]2c3cccc(C(=O)O)c3C(=O)N12 488916 KOXAUIJMWHCIOC-PEBVRCNWSA-N 321.376 4.150 0 40 DIAB biogenic O[C@H](c1cc(C2CCCCC2)nc2ccccc12)[C@H]1CCCCN1 1729643 TXNJKGIJVCAFQP-TZIWHRDSSA-N 324.468 4.458 0 40 DIAB Cc1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 2691195 YXKAVURRSRAOIB-UHFFFAOYSA-N 306.390 4.437 0 40 DIAB CCN(CC)[P@](=O)(OCC(F)(F)F)Oc1ccccc1 3156668 LAGBUOHKLSJTAZ-FQEVSTJZSA-N 311.240 4.094 0 40 DIAB CC(=O)Nc1sc2c(c1CN1CCCCCCC1)CCCC2 3504161 UFCHTHJHRQIVIF-UHFFFAOYSA-N 320.502 4.351 0 40 DIAB CCn1c(/C=C/c2ccccc2Cl)nc2ccccc2c1=O 4363277 WDAGXHGFHWUQAP-VAWYXSNFSA-N 310.784 4.240 0 40 DIAB CN(Cc1ccccc1Cl)C(=O)Cc1c[nH]c2ccccc12 5173153 RLJNJMPMDSJMLC-UHFFFAOYSA-N 312.800 4.022 0 40 DIAB CC(C)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl 5366035 QEXBBJWYEJCNIV-UHFFFAOYSA-N 317.816 4.158 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2s1 5398543 GJFNXMQMRVHKLP-UHFFFAOYSA-N 322.389 4.064 0 40 DIAB CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 5416716 OYKIAAQSPJYQTA-UHFFFAOYSA-N 307.437 4.467 0 40 DIAB COC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 6126175 HTPYKAIDZYRSKN-UHFFFAOYSA-N 303.170 4.295 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1Cl 6923937 CIMGVSZMJOWEDF-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCCCC2)cc1 7505034 PRSZQXJFMDAPBH-UHFFFAOYSA-N 316.351 4.207 0 40 DIAB Clc1ccc(OCC[n+]2cccc(-c3ccccc3)c2)cc1 7760995 AVSRKUHAUNYYTN-UHFFFAOYSA-N 310.804 4.374 0 40 DIAB Fc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 9189179 QQVBVNVSWCHGGO-UHFFFAOYSA-N 313.441 4.456 0 40 DIAB CCOC(=O)c1sc(Nc2ccccc2)nc1C(F)(F)F 12394362 XOSNIDSVGJVRPW-UHFFFAOYSA-N 316.304 4.082 0 40 DIAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2cccs2)cc1 12401512 BURTTWFRDSCEQC-OAHLLOKOSA-N 315.482 4.409 0 40 DIAB Cc1ccc(SCCNC(=O)c2ccc(Cl)o2)cc1C 12931087 OPNRGYMCDRDHGZ-UHFFFAOYSA-N 309.818 4.072 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)NC3CCCCC3)ccc2c1 14182499 XKBOCEDJWNRVFZ-CQSZACIVSA-N 311.425 4.401 0 40 DIAB Cc1ccsc1CN(C)C(=O)NCCc1ccc(Cl)cc1 17112559 RCJMNTYCNBLGRR-UHFFFAOYSA-N 322.861 4.094 0 40 DIAB Cc1cc(SCc2nnsc2Cl)nc2ccccc12 22039207 PWFCNYUTNHNGBR-UHFFFAOYSA-N 307.831 4.340 0 40 DIAB Cc1cc2occ(CC(=O)NCc3cccnc3)c2cc1C(C)C 28875221 WTOHGYQXDJKGTC-UHFFFAOYSA-N 322.408 4.119 0 40 DIAB COc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1 31968394 VZOINVMWAFLNPP-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c(C)s1 32885733 ODGYABDPRRPPGN-UHFFFAOYSA-N 306.456 4.343 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@@H]2C[C@@H]2C)n1 32986018 OUMKWRGWMLDUEX-JOYOIKCWSA-N 311.410 4.194 0 40 DIAB COc1ccccc1NC(=O)c1c(C)noc1-c1ccc(C)cc1 35671971 CVHOARWJYBEHRL-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccsc2)C1 36356975 KXZXLSRPBOOWES-NSHDSACASA-N 319.455 4.319 0 40 DIAB O=C(CSC(c1ccccc1)c1ccccc1)N1CCCC1 39964471 YPOWGUBTNINLTE-UHFFFAOYSA-N 311.450 4.132 0 40 DIAB O=C(NCCSc1ccccc1)Nc1cccc2cnccc12 43162171 XJNSOBQNQOOFCS-UHFFFAOYSA-N 323.421 4.149 0 40 DIAB Cc1nc2ccc(C(=O)Nc3cccc4[nH]ccc34)cc2s1 71284591 HFEHOLRLIAVWHK-UHFFFAOYSA-N 307.378 4.338 0 40 DIAB CCCN(CCC)c1ccc(CNC(=O)OC(C)(C)C)c(C)n1 72224326 ZYPIOIASCWXQKM-UHFFFAOYSA-N 321.465 4.041 0 40 DIAB CCc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C 75437286 VUBWQAVBZSOYDN-UHFFFAOYSA-N 317.392 4.267 0 40 DIAB CCSc1nnc(COc2ccc(Cl)cc2Cl)o1 78431585 HMNFXMVAYSCZBN-UHFFFAOYSA-N 305.186 4.067 0 40 DIAB COc1ccc2cc(C(=O)c3ccc(F)c(OC)c3)ccc2c1 95917104 ICLYJGKRHJJJAS-UHFFFAOYSA-N 310.324 4.227 0 40 DIAB Cc1nccn1-c1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1F 96479131 QZVPVJIFTPPAJL-CHWSQXEVSA-N 313.376 4.325 0 40 DIAB CCOC(=O)c1sc(-c2ncccc2C)nc1-c1ccccc1 98071518 FXNMQUFWIAQVQJ-UHFFFAOYSA-N 324.405 4.357 0 40 DIAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CCOc2ccccc21 102847628 WHOIFMUINYVSLW-GOSISDBHSA-N 303.361 4.345 0 40 DIAB O=C(NC(c1cccs1)c1cccs1)[C@H]1C[C@H]2CC[C@H]1C2 108350704 QPHNPAQOHAOOFV-AVGNSLFASA-N 317.479 4.451 0 40 DIAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc(OC)cc1 113958331 MPGQUHFMIDYYKT-CYBMUJFWSA-N 315.438 4.298 0 40 DIAB COc1cccc(NC(=O)Nc2cccc(OC(C)C)c2)c1 167482687 LRUUBTIOIKAKKI-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB COCc1ccc(NC(=O)Nc2ccccc2CSC)cc1 194017164 NXSAHKNSKADOFI-UHFFFAOYSA-N 316.426 4.340 0 40 DIAB COc1ccc(/C=C/C(=O)NCc2ccc3ccccc3c2)cc1 222747245 JSGZRRQMFXWFRU-UKTHLTGXSA-N 317.388 4.178 0 40 DIAB CC[C@@H](NC(=O)COc1ccccc1)c1ccc2c(c1)CCCC2 223010977 NSCDZPXOZXKXBO-HXUWFJFHSA-N 323.436 4.212 0 40 DIAB CCCC[C@H](C(=O)O)N1c2cc(OC)ccc2C(C)=CC1(C)C 223223594 BEDCCYCSIJTDIO-MRXNPFEDSA-N 317.429 4.341 0 40 DIAB Cc1ccccc1C(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226356509 DNHLNPTWEMOEHN-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB CC(C)C[C@@H](N)C1(c2ccc(F)cc2Br)CCC1 1772714923 NPCZAPWFXVVLIO-CQSZACIVSA-N 314.242 4.383 0 40 DIAB Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 51834 ZASUYGGQYOAZKM-UHFFFAOYSA-N 313.360 4.043 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3ccc(F)cc3)sc2c1 191235 BIFFDVPELMOLGR-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 294100 DYVHLERGGVPBOK-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 304641 DYCKTFSWJPZYLR-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccccc2)n1 354182 DJKJVBXUPKIHNR-UHFFFAOYSA-N 321.357 4.289 0 40 DIAB COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3ccccc32)cc1 390671 DBHCDXREDYZQFH-UHFFFAOYSA-N 315.396 4.200 0 40 DIAB O=C(CN1CCCCCC1)Nc1ccccc1-c1ccccc1 411766 RRXGONGMTCRWTG-UHFFFAOYSA-N 308.425 4.168 0 40 DIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 569295 FIOOKWFUGWLHJW-UHFFFAOYSA-N 316.788 4.331 0 40 DIAB COc1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1OC 1961546 DMFJUBQCIPXKNQ-UHFFFAOYSA-N 310.349 4.094 0 40 DIAB biogenic,in-vitro CCCCCC(=O)NC(=O)NC(c1ccccc1)c1ccccc1 2312557 REPXLOBUANKLNR-UHFFFAOYSA-N 324.424 4.182 0 40 DIAB CC[C@@H](OC[C@H](O)CNC(C)(C)CC(C)(C)C)c1ccccc1 2694598 PPTAYKHJILTVIZ-QZTJIDSGSA-N 321.505 4.320 0 40 DIAB Cc1ccc2c(c1)nnn2CNc1ccc(Cl)c(Cl)c1 3156629 RXMMDQUPVWGVLI-UHFFFAOYSA-N 307.184 4.116 0 40 DIAB C/C=C/c1ccc(OCCCCNCc2ccco2)c(OC)c1 3247049 NWVPNPNECCSPDP-XVNBXDOJSA-N 315.413 4.270 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(Cl)cc1 3344210 RBRLCYFTDZIOIC-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4o3)ccc12 3558435 GYOIBDMVLOZVDX-UHFFFAOYSA-N 319.316 4.100 0 40 DIAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1 4656230 AKWJJXNUHUZOCZ-LLWQGOSWSA-N 324.449 4.068 0 40 DIAB CCC(CC)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 5083862 GVDBRTUMAAUWHJ-UHFFFAOYSA-N 313.426 4.438 0 40 DIAB C[C@@H](NC(=O)Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5788065 CWNTVQMMIMXVDM-QLFDAEIZSA-N 303.471 4.012 0 40 DIAB Cc1ccc(C)c(-n2c(S)nnc2-c2ccccc2Cl)c1 6183919 LEYAZIWWPZWXEC-UHFFFAOYSA-N 315.829 4.493 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 6654421 FTABGKWBXLILMY-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC 7944671 NFGPBXORZIXSKY-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB O=C(Nc1ccncc1)c1ccc(C2SCCCS2)cc1 12534363 ZVFWHXKKWXZZQB-UHFFFAOYSA-N 316.451 4.203 0 40 DIAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(Cl)cc1 12621919 LNSWQHFQRSHKPV-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCc2ccccc21 12922816 PBAJTQZWNURHBZ-OAHLLOKOSA-N 322.433 4.033 0 40 DIAB Cc1ccoc1C(=O)OCc1csc(-c2ccsc2)n1 14676610 LYGNUWYYTPZWOM-UHFFFAOYSA-N 305.380 4.130 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccccc1 30757989 PMFJNVUXTVWRCS-SFHVURJKSA-N 311.425 4.119 0 40 DIAB C[C@@H](SCc1cccc(F)c1)C(=O)Nc1ccccc1F 32907787 HFSJAGDUIYVQBX-LLVKDONJSA-N 307.365 4.225 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)NCCc1ccc(F)cc1 40096466 CYJRYYRWPQZIBS-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)c(F)c1 44884957 WTKMACKZMOTGTH-INIZCTEOSA-N 319.351 4.378 0 40 DIAB CCSc1ccccc1NC(=O)CCc1ccc(OC)cc1 61002310 BDIRYDBISRSUNF-UHFFFAOYSA-N 315.438 4.379 0 40 DIAB C[C@H]1C[C@H](C)CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C1 72393364 DPNZUHQWLYTKES-QWRGUYRKSA-N 311.351 4.060 0 40 DIAB Cc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(Cl)cc1 72403366 SONAVFXKNGFWLM-UHFFFAOYSA-N 320.783 4.420 0 40 DIAB Cc1cc(Nc2ccc3[nH]ccc3c2)nc(-c2ccccn2)n1 74259458 JXNIXLRVCMJQJF-UHFFFAOYSA-N 301.353 4.072 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N1CCCCC[C@@H]1c1ccncc1 77639218 KAJZBALTQZDVEM-LJQANCHMSA-N 319.408 4.320 0 40 DIAB C[C@@H](NCC1(c2ccccc2)CC1)c1ccccc1-n1cccn1 84660898 NNFMWZPOUFLYDH-QGZVFWFLSA-N 317.436 4.255 0 40 DIAB COCCOc1ccccc1CNc1ccc(F)cc1Cl 95455305 BWAHAQMUPCWJLO-UHFFFAOYSA-N 309.768 4.116 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 100604113 IGMNBLIBHADVHT-HKUMRIAESA-N 322.246 4.004 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2ccccc2)cc1 222870866 XZBDMRHWCHIZMO-IBGZPJMESA-N 311.425 4.065 0 40 DIAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2ccccc21 223237124 CMNNWHLRWMLPDC-UHFFFAOYSA-N 322.246 4.389 0 40 DIAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccccc1C 225318561 KMUMRMOEQZTLOZ-LJQANCHMSA-N 311.425 4.204 0 40 DIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]3[C@@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253492616 QMCLGDBCODWMRX-WGEZERDCSA-N 316.441 4.060 0 40 DIAB Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3cscn3)c2C)c1 540918255 GDDWSCYSAVMYGS-ZDUSSCGKSA-N 312.442 4.427 0 40 DIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 1384061 SWQMAGHRNVLUOP-UHFFFAOYSA-N 322.261 4.077 0 40 DIAB CSc1ccc(COC(=O)c2ccc3ccccc3n2)cc1 3503890 AKWFRKNCDBDDQM-UHFFFAOYSA-N 309.390 4.314 0 40 DIAB Cc1ccc(CSC(=S)NNc2ccccc2)cc1C 6488098 VIYMIQLZZXCNIV-UHFFFAOYSA-N 302.468 4.438 0 40 DIAB Cc1ccc(Cl)c2c1N(Cc1cccc(Cl)c1)C(=O)C2=O 6661896 ADEYZBBSXXIQBE-UHFFFAOYSA-N 320.175 4.031 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7957224 KYBOSKQJQLPZRO-IUODEOHRSA-N 301.361 4.394 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2ccccc21 7986389 MRKRDAHTUKLTDD-UHFFFAOYSA-N 317.388 4.469 0 40 DIAB CC(=O)c1cccc(NC(=O)CCc2ccccc2Cl)c1 10457670 SOSHPHZDYNYCNO-UHFFFAOYSA-N 301.773 4.114 0 40 DIAB O=C(CSc1ccc(F)cc1)N[C@H](c1ccccc1)C1CC1 12850812 HPDOQQCRFYVBRQ-GOSISDBHSA-N 315.413 4.185 0 40 DIAB CCOc1ccccc1NC(=O)CCSCc1ccccc1 13687908 SZDMEQRZZOZVJE-UHFFFAOYSA-N 315.438 4.347 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc1 18202646 NNTFSKVPDHOQGX-WDSOQIARSA-N 319.404 4.068 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 20110684 PKNJUTYROOZEEW-LLVKDONJSA-N 321.779 4.448 0 40 DIAB Cc1cc(NC(=O)CCC(C)C)ccc1-c1ccc(CO)o1 20136796 KNYKINLNILHQTO-UHFFFAOYSA-N 301.386 4.122 0 40 DIAB Cc1ccccc1N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 20418730 SFFLMAYBEQFDGZ-UHFFFAOYSA-N 322.452 4.081 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(C)c2C)cc1 20459631 MZQAPOPWTAXOQI-KRWDZBQOSA-N 311.425 4.038 0 40 DIAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 22552111 JIMFQCNMAGDHGX-IPMKNSEASA-N 309.384 4.293 0 40 DIAB Cc1nc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)sc1C 28226264 KAPWTCDVNPONTP-UHFFFAOYSA-N 313.426 4.121 0 40 DIAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)cc1 32833186 DBSSCXDDGQWVPY-INIZCTEOSA-N 304.478 4.083 0 40 DIAB CC(C)[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccs1 39985626 LBMGVNQFGAZJOA-SFHVURJKSA-N 311.454 4.421 0 40 DIAB Cc1cc(Br)c2oc(-c3ccc(N)cc3)nc2c1 40542277 ALBLDQBQVMFNDO-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CC[C@@H]1c1ccccc1 45816986 PCROOBZAIUGKEX-CQSZACIVSA-N 309.394 4.275 0 40 DIAB Cc1csc(N(C(=O)c2cc3ccccc3s2)C2CC2)n1 76019052 XTBWJVFXWRSPJS-UHFFFAOYSA-N 314.435 4.475 0 40 DIAB COc1ccc(Cl)cc1C(=O)NCCCc1cccc(C)c1 96726975 GCDBVZMWUXQMHZ-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB Cc1cc(N[C@H](C)c2ccc([S@@](C)=O)cc2)c2ncccc2c1 97038506 DAYKRWNQNOTUMP-FATZIPQQSA-N 324.449 4.454 0 40 DIAB C[C@@H](NC(=S)Nc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102193800 XZKCLKHVIYSXGI-MROQNXINSA-N 308.878 4.451 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2ccccc2Cl)c1 224774662 RTFXSXMKGKAAFL-UHFFFAOYSA-N 301.817 4.395 0 40 DIAB Cc1ccccc1[C@@H](NC(=S)Nc1ncccc1C)C(C)C 225762409 DZUAKARPAPBMHN-INIZCTEOSA-N 313.470 4.382 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1snnc1-c1cccs1 225788133 CMHJDCUTKFUICN-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB Cc1ccc(C2(NC(=S)Nc3cccnc3)CCCC2)cc1 225873866 VOSDKMSMHBXHLM-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1Cl 226275795 ZQPCEOPFDLHPPC-SECBINFHSA-N 320.742 4.220 0 40 DIAB CCc1oc2ccccc2c1C(=O)c1ccc(OC(C)=O)cc1 54954 SSMXMFYKXVRQCO-UHFFFAOYSA-N 308.333 4.152 0 40 DIAB Cc1cccc(-c2nnc(-c3ccc(NC(=O)C(C)C)cc3)o2)c1 367750 MJKPTTQHYNSUEZ-UHFFFAOYSA-N 321.380 4.307 0 40 DIAB COc1ccc(CC[C@]2(C)OCC(C)(C)[C@H](C(C)C)O2)cc1 1670845 VJGJMVLTLIGRGF-PKOBYXMFSA-N 306.446 4.442 0 40 DIAB Cc1cc(C)nc(Sc2nc(C)nc3c2oc2ccccc23)n1 2454122 CICQPJKIXQLROH-UHFFFAOYSA-N 322.393 4.242 0 40 DIAB c1ccc(-c2nnc(COc3cccc4ccccc34)o2)cc1 4511502 XCWPATDNISUWSV-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cn(C)c2ccccc12 5265728 CTWQZSDMFPQHHH-HNNXBMFYSA-N 321.424 4.321 0 40 DIAB Cc1cccc(NC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5440153 MWXUYMFVBCTTEG-UHFFFAOYSA-N 323.396 4.074 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccc(F)cc3)c12 6945381 RMRWYYSLABMQEB-UHFFFAOYSA-N 311.356 4.234 0 40 DIAB Cc1ccc(NC[C@H](O)COc2cc(C)ccc2C(C)C)cc1 9970630 YLOYNKMFQQOEIU-SFHVURJKSA-N 313.441 4.279 0 40 DIAB Cc1cc(C)c(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 11211401 BHIWYXUTDOCBDQ-FQEVSTJZSA-N 323.436 4.258 0 40 DIAB CC(C)c1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1 12856564 JDNFVMLTHIWMFM-ATVHPVEESA-N 322.433 4.072 0 40 DIAB COCCCNCC[C@]1(CCC(C)C)CCO[C@H](C(C)C)C1 13655139 BUASARGVQPMCPF-RBUKOAKNSA-N 313.526 4.260 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@@H](c2cccs2)CC(=O)N3)C1 15085204 NGZJCMMKHFMZST-MWLCHTKSSA-N 303.452 4.409 0 40 DIAB COc1ccc(-c2csc(-c3cccc(O)c3)n2)cc1F 20433035 WSKIHRUVEOCALP-UHFFFAOYSA-N 301.342 4.330 0 40 DIAB Cc1noc(C)c1COC(=O)c1cc2cc(Cl)ccc2o1 24210072 AFJCDRVKVOEBNB-UHFFFAOYSA-N 305.717 4.048 0 40 DIAB Cc1cc([C@@H](C)NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)s1 31951381 BWQSQSVZBINHSQ-PRHODGIISA-N 306.258 4.126 0 40 DIAB Fc1ccccc1COc1ccccc1C(=S)N1CCCC1 33665023 NOERLZACAMYXOQ-UHFFFAOYSA-N 315.413 4.176 0 40 DIAB CCCCOc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 43209783 OQRLSPZBDMEJGT-UHFFFAOYSA-N 312.365 4.022 0 40 DIAB CSc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1 44948936 JCAVFZHWTRENKW-UHFFFAOYSA-N 315.438 4.126 0 40 DIAB CCn1c2ccccc2c2cc(CNC3CCC(O)CC3)ccc21 48326069 BOPKDTNUMUZEHA-UHFFFAOYSA-N 322.452 4.208 0 40 DIAB O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 48332171 SHDMPDUTCMEUHA-UHFFFAOYSA-N 305.333 4.437 0 40 DIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccccc2)C1 49547364 JMUPHAVYFBODNW-INIZCTEOSA-N 303.365 4.055 0 40 DIAB COc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1F 53519701 BWAADBSWYRKFJQ-UHFFFAOYSA-N 316.401 4.132 0 40 DIAB Fc1ccccc1OCc1nnc(-c2cccc(Cl)c2)o1 62662655 ULMLAHLTFCTWLK-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB CCc1cc2oc(=O)cc(CN(C)[C@@H](C)CC)c2cc1Cl 65549113 LDSNHIKPNDJPAG-NSHDSACASA-N 307.821 4.239 0 40 DIAB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)cc1 71978311 BOBAVEFGEONVTJ-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB CCc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 72331415 AOHFWJFCQXLFOO-UHFFFAOYSA-N 308.208 4.486 0 40 DIAB c1ccc2c(CNc3ccc(-n4nccn4)cc3)cccc2c1 84598472 WJHUXBJIKSKIMG-UHFFFAOYSA-N 300.365 4.033 0 40 DIAB CC[C@H](C)n1nccc1NC(=O)/C=C/c1cccc2cccnc12 84726987 RMSVEMZSTZMCLX-HBWSCVEGSA-N 320.396 4.054 0 40 DIAB c1cc(Cn2cnc3ccccc32)cc(NCc2cscn2)c1 95429094 SIIYXJWVZOYLPB-UHFFFAOYSA-N 320.421 4.153 0 40 DIAB COc1ccc(N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 95462733 ZJOLVXRBJSAVJU-QMMMGPOBSA-N 312.200 4.152 0 40 DIAB Cc1cccc(C)c1Oc1ccccc1NC(=O)C1CC(=O)C1 95979918 VAJXLJHDOADQGZ-UHFFFAOYSA-N 309.365 4.013 0 40 DIAB COc1ccc(CSCC(=O)Nc2cccc(C)c2C)cc1 113935349 YOFRBSKAVZZRPF-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C 224417813 QGXNENOKYHRWOA-AWEZNQCLSA-N 305.462 4.347 0 40 DIAB O=C(NCCSCc1cccc(Cl)c1)c1cccc(F)c1 224954899 WITHZRMBMHVOHK-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB Cc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225016224 BCGPBIAPGSDPGE-IBGZPJMESA-N 306.361 4.223 0 40 DIAB O=C(NCCc1ccc(-c2ccoc2)s1)Nc1cccs1 390831936 WCAHQHQABZRUTI-UHFFFAOYSA-N 318.423 4.434 0 40 DIAB Cc1cc(NC(=S)NCCCc2ccccc2)ccc1F 408585314 DGKAVPYLTBLMLX-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc2ccccc2c1 55416 YNNFUIDKJRMNMU-PDGQHHTCSA-N 317.319 4.323 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 141701 AOGDFFIVTULNIA-PBHICJAKSA-N 303.446 4.058 0 40 DIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/C=C/c1ccccc1 176506 YTMWYNIERHPCLE-MBXCTOFRSA-N 309.752 4.241 0 40 DIAB CC(=O)c1c(C)nc2n(Cc3ccc(C)cc3)c3ccccc3n12 975737 SMMUPTMMVMPDSJ-UHFFFAOYSA-N 317.392 4.157 0 40 DIAB CCOc1ccccc1-c1csc(NC(=O)c2ccco2)n1 1791012 CNVWTMOBBBBPEI-UHFFFAOYSA-N 314.366 4.054 0 40 DIAB COc1ccc(Oc2nc(C)nc3c2oc2ccccc23)cc1 2430366 JNEBTQNIVDFQBU-UHFFFAOYSA-N 306.321 4.485 0 40 DIAB CN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl 3100579 DGBJQXOTHJCGQI-UHFFFAOYSA-N 324.207 4.031 0 40 DIAB O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1cccnc1 3169409 DSTCQPYWIPUQQR-VMPITWQZSA-N 306.337 4.048 0 40 DIAB CSc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 3548760 NIQSZJHIUNXGBB-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 5292729 AWNAEZQMYTZCIB-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB OCCCN[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 5517667 TYLLJBDLSGZJAU-OAHLLOKOSA-N 319.857 4.060 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1sccc1-n1cccc1 6252964 NTECAPRYYXFEAD-UHFFFAOYSA-N 302.786 4.445 0 40 DIAB COc1cccc(NC(=S)Nc2ccccc2SC)c1 7529909 WADZYWAYCMMDFJ-UHFFFAOYSA-N 304.440 4.226 0 40 DIAB CC(C)C[C@H](NC(=O)C[C@H]1C=CCC1)c1nc2ccccc2[nH]1 9315931 FPSOVQGFMLNYIX-YOEHRIQHSA-N 311.429 4.123 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 12788155 MREJWZXMDPONEH-LLVKDONJSA-N 321.829 4.468 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nccs3)s2)cc1 13692466 SJUXOMIUSIBZQA-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1 14013228 POUDQIWCSMZARE-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB CC(=O)Nc1ccc2c(c1)c1cc(Br)ccc1n2C 19909680 CUJLWPAPGOPDPW-UHFFFAOYSA-N 317.186 4.052 0 40 DIAB C[C@H]1CC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2C1 19957341 UVYRJNUVMYXOKP-MRVPVSSYSA-N 322.195 4.292 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC)c1 20488925 DCCCHOPGRJFAIZ-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB COc1ccc(NC(=O)c2ccoc2C)cc1Cc1ccccc1 22068213 SGBMFSQVOORPOC-UHFFFAOYSA-N 321.376 4.440 0 40 DIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCC1=CCCCC1 22236338 GWABFWOCEMSVMX-UHFFFAOYSA-N 324.424 4.281 0 40 DIAB Cc1ccnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 27647407 AXVDBKLYWGGKFO-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB CCCn1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)nc2ccccc21 27923722 HNHBZKJQZMUGFJ-HOTGVXAUSA-N 319.408 4.189 0 40 DIAB O=C(CCc1ccco1)N[C@@H](c1cccs1)C1CCCC1 32397198 YDLCAHOEAYRJAR-QGZVFWFLSA-N 303.427 4.321 0 40 DIAB CCOc1ccc(Oc2ncnc3cc(Cl)ccc23)cc1 32907678 OQJGEEXHYBNYKJ-UHFFFAOYSA-N 300.745 4.474 0 40 DIAB COc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)ccc1C 40074612 QMPPYJONQBAILR-SNVBAGLBSA-N 309.818 4.210 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 44903321 ZZUDERAKOHYDCU-CYBMUJFWSA-N 319.351 4.296 0 40 DIAB CC(=O)c1cccc(NC(=O)NC2(c3ccccc3)CCC2)c1 58377864 IZJOXILNLUINEH-UHFFFAOYSA-N 308.381 4.090 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(C)cc(F)cc23)cc1 64874761 JQSXAIOXAVLYJK-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB COc1ccc(-c2cccc3cc4c(c(OC)c23)OCO4)cc1 66091623 FIVIIUPPEJHKPH-UHFFFAOYSA-N 308.333 4.253 0 40 DIAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2cccs2)cs1 72243202 LVHJBIJELQXEIS-UHFFFAOYSA-N 317.439 4.079 0 40 DIAB Nc1cccc(-c2nc3ccccc3n2-c2ccc(F)cc2)c1 73740003 AYGLTQJWRUBGGZ-UHFFFAOYSA-N 303.340 4.414 0 40 DIAB Cc1ccnc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 79440804 SVAKRXVBHHXRDM-AWEZNQCLSA-N 322.474 4.129 0 40 DIAB Cc1ccc(-c2noc([C@H](C)S[C@H]3CCO[C@@H]3C)n2)cc1F 95974104 ZTHJVPNRICDCGC-SUNKGSAMSA-N 322.405 4.156 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872202 GCAODHPIRMXSSB-OWRUSBMPSA-N 321.492 4.150 0 40 DIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccsc2)CCS1 219285410 RQBHBQSAWSOVEE-INIZCTEOSA-N 317.479 4.377 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223207896 HXPSESWOXGEGOI-OAHLLOKOSA-N 323.436 4.454 0 40 DIAB S=C(Nc1ccc2sncc2c1)NC1CCCCCC1 225171720 ARKFGDOLIZGDHT-UHFFFAOYSA-N 305.472 4.306 0 40 DIAB Cc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)n1 225496031 ABEIWAXFVNAUOX-INIZCTEOSA-N 313.470 4.464 0 40 DIAB Cc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)c(C)c1 225739350 LHCUJYFOEQYPJK-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C)n3C)c(C)c1 225894419 DSDPMIKMNZCTMS-UHFFFAOYSA-N 307.397 4.059 0 40 DIAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)c1 226254296 NKMMDQASZIFFOJ-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccs1 176317 NMQHOBRBQTXQLB-GHXNOFRVSA-N 324.188 4.399 0 40 DIAB CC(C)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 508070 KDHONSYOOIASAQ-SECBINFHSA-N 307.488 4.146 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2Cl)cc1C 514269 YXVBZMWVNBKWOP-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB CC(=O)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2557281 JGMOKGBVKVMRFX-HXIANDDZSA-N 312.453 4.500 0 40 DIAB biogenic CN(CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 3352854 RDGICIUONBMKFD-UHFFFAOYSA-N 315.244 4.196 0 40 DIAB Cc1cc(CSc2nn(-c3ccccc3)c(=S)s2)no1 5315822 BMGHRTFFDJDRTD-UHFFFAOYSA-N 321.452 4.252 0 40 DIAB Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 7468211 PQWQFXPOJDSOHB-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB Cc1nc2c(Cl)cccc2c(O)c1CN1CCC[C@@H](C)C1 8717541 XIRSHRHDGYANLR-LLVKDONJSA-N 304.821 4.134 0 40 DIAB CCOc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1 12521749 VOYLYDBXCUFRHI-UHFFFAOYSA-N 310.353 4.096 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(C)c1 12828559 ZXTYCBGOGTZMGV-UHFFFAOYSA-N 300.427 4.281 0 40 DIAB COc1cc(C(=O)Nc2ccccc2)ccc1OCCC(C)C 13010287 WETSNOXMBJKGNF-UHFFFAOYSA-N 313.397 4.372 0 40 DIAB CCOc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 13063649 KJBNFSOBKCEDIY-URLQWDBASA-N 301.430 4.030 0 40 DIAB CC(C)(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13930332 MPQLYBSMYGIRHC-UHFFFAOYSA-N 320.392 4.078 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2ccccc2n1 14423328 CRKIVNXKVIRPMJ-UHFFFAOYSA-N 302.377 4.136 0 40 DIAB CCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 17064535 JPOKMVAGDBKHJT-UHFFFAOYSA-N 323.314 4.034 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2SC)cc1 19932686 RCRFUMRFRNTKPU-ZDUSSCGKSA-N 315.438 4.298 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC1CCCCCCC1 30757769 GGIFJEZCFMYLFU-KRWDZBQOSA-N 307.409 4.212 0 40 DIAB CCc1cc(C(=O)OC)c(NC(=O)Nc2ccccc2C)s1 32611069 CLBFBBKUCVSXMM-UHFFFAOYSA-N 318.398 4.050 0 40 DIAB O=C(/C=C/c1ccccn1)NC(c1ccccc1)c1ccccc1 32936694 VTMFZWZLEHUBML-CCEZHUSRSA-N 314.388 4.001 0 40 DIAB Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 35654129 CYISWQZYBSHTNN-UHFFFAOYSA-N 324.387 4.455 0 40 DIAB CCC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl 37974641 PHTDNJGLXUWBLC-MRVPVSSYSA-N 304.615 4.021 0 40 DIAB CCCOc1ccc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC 48374930 GRZDUJWLKRAHBB-HUUCEWRRSA-N 317.429 4.018 0 40 DIAB Fc1ccc2c(c1)[C@@H](Nc1ncnc3ccsc13)CCCO2 53583067 UJRRSNWVLRKUTK-LBPRGKRZSA-N 315.373 4.156 0 40 DIAB COCc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 70039030 KDQZZANMXMUMER-HXUWFJFHSA-N 321.420 4.125 0 40 DIAB C[C@@H]1C[C@@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 75134634 GCGVPMCXKSWDRY-MFKMUULPSA-N 318.336 4.063 0 40 DIAB CC(C)(C)OC(=O)Nc1cc(Cl)ccc1Br 88123720 NARMCTXFKCKBOJ-UHFFFAOYSA-N 306.587 4.450 0 40 DIAB Cc1nccn1Cc1cccc(CN[C@H](C)c2ccc(F)cc2)c1 95420122 FJZFRHZXRYGPFX-OAHLLOKOSA-N 323.415 4.230 0 40 DIAB Cc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1C 101353409 RKZHHVKKESLCSK-HNNXBMFYSA-N 308.410 4.012 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2C)cc1C 223392460 ABOJFVJKJMYNGS-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253504212 DFQIPZIKAWWOOR-MIDILNBFSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro Cc1ccc(NC(=O)/C=C/c2cnc(-c3ccccc3)nc2)cc1 408532793 OZDVYLGKMVVERR-FMIVXFBMSA-N 315.376 4.104 0 40 DIAB C[C@H](Cc1ccc(O)cc1)N[C@H]1CCCc2c1[nH]c1ccccc21 564144480 SDVZTRRLDBYRNX-VLIAUNLRSA-N 320.436 4.472 0 40 DIAB CN1CCC[C@@H]1CCOc1cc(F)ccc1Oc1ccccc1 585266208 KSWWHNZKVUBNMV-MRXNPFEDSA-N 315.388 4.481 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1 1910423 DTGFWMXJPVPFGT-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB Cc1ccccc1NC(=O)C[C@H](C)[C@H](CCC(C)C)C(=O)O 2306688 BIVPKPIKICYZDK-GJZGRUSLSA-N 305.418 4.097 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)C1(c2ccccc2)CCCC1 2512732 DFUIMSUUSLAWKC-UHFFFAOYSA-N 301.336 4.415 0 40 DIAB O=C(Nc1ccc(F)cc1)[C@@]1(c2ccccc2)CC1(Cl)Cl 3084298 JAXCJFUZBOSNDM-HNNXBMFYSA-N 324.182 4.280 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CSCc1ccccc1 3601996 PSGDXUXUZMQQJQ-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB COc1ccc(C)c2sc(N3CCc4ccccc4C3)nc12 4137895 KTKILFPZYUZLLO-UHFFFAOYSA-N 310.422 4.176 0 40 DIAB CCC(=O)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340115 UQCVSYMWEBEKLG-UHFFFAOYSA-N 308.333 4.084 0 40 DIAB biogenic CCCCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 4535041 OAOFIXBZYWKFEB-UHFFFAOYSA-N 320.849 4.022 0 40 DIAB CCCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 6669952 PQGFFYYNQXXUTA-UHFFFAOYSA-N 313.213 4.112 0 40 DIAB CCOc1ccc(NC(=O)Nc2ccccc2)cc1OCC 6879630 MTGLHDRZSYFSOX-UHFFFAOYSA-N 300.358 4.128 0 40 DIAB Cn1c(-c2ccccc2)cnc1Sc1ncnc2sccc12 7120748 BQPWQLUSKUOFEE-UHFFFAOYSA-N 324.434 4.243 0 40 DIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccc1)O[C@H](C)C2 7609421 BWRXZXYVRKTFJM-ATWMFIQVSA-N 323.392 4.061 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(C)cc1 8906431 UXRIBVMEKPKGDV-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB Clc1ccccc1-c1nnc2ccc(Nc3ccccc3)nn12 9304725 BPYJOMXBDKFPLK-UHFFFAOYSA-N 321.771 4.188 0 40 DIAB c1ccc(-c2nc(CSc3nncn3C3CC3)cs2)cc1 9982024 DTKRBWGORILWMX-UHFFFAOYSA-N 314.439 4.029 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)Nc1ccc(Cl)cc1 10258909 ZUAHPSDPZCQQER-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB O=C(NC1CC1)[C@@H](SCc1ccccc1)c1ccc(F)cc1 12262191 WJTCMYVQNOWCGP-KRWDZBQOSA-N 315.413 4.079 0 40 DIAB O=S(=O)(c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 16953649 QSWUZFDEUFGFKS-FQEVSTJZSA-N 322.429 4.444 0 40 DIAB CCCCOc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1 27663162 DRRNUMHHFDNHGK-UHFFFAOYSA-N 319.430 4.093 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(OC)c1 30855335 GSAZBUGUNPVJSZ-INIZCTEOSA-N 319.788 4.145 0 40 DIAB C[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(-n2cccc2)cc1 32611083 SGGAXRFIEZNGAZ-CQSZACIVSA-N 323.371 4.499 0 40 DIAB FC(F)(F)c1cc(NC[C@@H]2CCOC2)cc(C(F)(F)F)c1 32626829 BVTGTIHYDWVYGJ-QMMMGPOBSA-N 313.241 4.173 0 40 DIAB in-vitro COc1cc(C)ccc1NC(=O)c1ccc(Br)cc1 37791033 PPYHCSDXHFOUOR-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CC(C)(C)OC(=O)NC1CCN(CC2=CCCCCCC2)CC1 38960948 BBPVOCBYJROQCF-UHFFFAOYSA-N 322.493 4.256 0 40 DIAB Cc1c/c(=N\c2ccc(C(=O)OC(C)C)cc2)c2ccccc2[nH]1 40400790 VTAILIWFUNOQKI-UHFFFAOYSA-N 320.392 4.274 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccccc1 44844263 FBYFEGOBBLMABP-ROUUACIJSA-N 315.388 4.251 0 40 DIAB O=C(/C=C/c1cc2cc(Cl)ccc2o1)Nc1nccs1 67339254 YITZRJXOKUZHBJ-DUXPYHPUSA-N 304.758 4.195 0 40 DIAB Cc1ccccc1C[S@](=O)Cc1cccc(C(F)(F)F)c1 69740820 ZTPVYDRRYHXLOJ-NRFANRHFSA-N 312.356 4.463 0 40 DIAB CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)sc2c1 73740490 XTDQJDJSVAARFR-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB O=C(NCc1ccco1)N(C1CC1)[C@@H]1CCCc2ccccc21 104767307 OPXRYFUKFINDGH-GOSISDBHSA-N 310.397 4.031 0 40 DIAB Cc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc1C 218737997 DAQZTSUHHBGRFY-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC(C)(C)CC(C)(C)C 224618459 FXRBXDCEWAJSPQ-INIZCTEOSA-N 305.462 4.483 0 40 DIAB CCCCOc1ncc(NC(=O)[C@](C)(CC)OCCC)cc1C 225904046 OBDJALZQWFLXNK-SFHVURJKSA-N 322.449 4.103 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1N 226365336 BRBMVJKMVAKWEG-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB Cc1noc(C)c1-c1csc(C(C)(C)C(=O)OC(C)(C)C)n1 252500657 SZWWYDHAEDVFOE-UHFFFAOYSA-N 322.430 4.034 0 40 DIAB Cc1csc(NCc2ccc(-c3ccccc3C(=O)O)o2)n1 257276606 NULQUVBHYDVQCX-UHFFFAOYSA-N 314.366 4.022 0 40 DIAB Oc1nc(SCc2ccccc2Cl)nc2sccc12 408597866 UCULXKKKZYHTEH-UHFFFAOYSA-N 308.815 4.343 0 40 DIAB Clc1cccc(Nc2ccc(NCc3ccccc3)nn2)c1 577137 PZPRBKKVHRLTCX-UHFFFAOYSA-N 310.788 4.486 0 40 DIAB Fc1cc(Cl)ccc1NC(=S)N1CCc2ccccc2C1 1454325 NJUGRJKZECFMKD-UHFFFAOYSA-N 320.820 4.234 0 40 DIAB CCCCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 2315468 KEPYNCQXVGUKQF-UHFFFAOYSA-N 322.408 4.127 0 40 DIAB O=C(CSc1ncnc2ccccc12)c1cc2ccccc2o1 3220998 PNTRSODSBVLMLT-UHFFFAOYSA-N 320.373 4.351 0 40 DIAB FC(F)(F)c1cccc(CNc2ncnc3sccc23)c1 3451076 QGOVWVKBLQOWFM-UHFFFAOYSA-N 309.316 4.322 0 40 DIAB Cc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1 3469934 ZZPXPKOFCBIVCN-UHFFFAOYSA-N 313.348 4.021 0 40 DIAB aggregator CNC(=O)N(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1 4131048 OVRNJGYOAHVELG-UHFFFAOYSA-N 310.441 4.326 0 40 DIAB CCOC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2n1C 4676036 VPRTXXXHBPEQAS-UHFFFAOYSA-N 309.365 4.456 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccccc2O[C@@H](C)CC)C1=O 6323994 KFLOUHMPUMHLLH-YGRGUWMTSA-N 319.426 4.310 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 6489122 VVGPWOLVWHUSDZ-GFCCVEGCSA-N 317.410 4.057 0 40 DIAB O=c1[nH]c(/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc12 6909538 OKRBUSCWFNXVKM-SOFGYWHQSA-N 317.175 4.400 0 40 DIAB CC(C)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1 7608649 DJOZFKAKZPIKBN-UHFFFAOYSA-N 317.816 4.159 0 40 DIAB Clc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 8419178 GGEBNEHQXNOXOW-UHFFFAOYSA-N 308.566 4.041 0 40 DIAB Cc1cc(C)c2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8571816 HIKJOZYVKHZBAC-UHFFFAOYSA-N 320.436 4.498 0 40 DIAB CCOc1ccc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)cc1 8642184 KEHVNHPRFKBJJE-JBFGZICXSA-N 319.360 4.095 0 40 DIAB O=C(CCc1ccco1)Nc1ccc2c(c1)-c1ccccc1C2 9497125 ULJUHJNWBCLUQE-UHFFFAOYSA-N 303.361 4.422 0 40 DIAB Cc1cccc(CS[C@H](C)C(=O)NCc2ccc(F)cc2)c1 9912446 KPRXGUIQPAYYDP-CQSZACIVSA-N 317.429 4.072 0 40 DIAB Cc1cccc2sc(NC(=O)CCC(=O)c3ccccc3)nc12 12793612 GRMSOBNGWUXIKQ-UHFFFAOYSA-N 324.405 4.206 0 40 DIAB CCCc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 13938490 HJHXDRVHCLLIQA-UHFFFAOYSA-N 309.475 4.030 0 40 DIAB CC(C)c1ncc(CN2CCc3c([nH]c4ccccc34)[C@H]2C)cn1 19498300 YZNIBYDVMWHUAY-CQSZACIVSA-N 320.440 4.201 0 40 DIAB Cc1cn2nc(N[C@@H](C)c3cccc4ccccc34)sc2n1 28069167 MDRHXSTVRKDPRM-LBPRGKRZSA-N 308.410 4.426 0 40 DIAB O=C(NC1CC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29564161 AYTSMWHYUANJDB-UHFFFAOYSA-N 322.339 4.040 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622101 ZZFJUOCBSRSOKC-UHFFFAOYSA-N 307.353 4.142 0 40 DIAB Cc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 34803499 BTLFMPNCGXWJLV-YXJHDRRASA-N 303.446 4.411 0 40 DIAB Cc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 35311353 SAXXPIJGCKCFGH-UHFFFAOYSA-N 311.400 4.229 0 40 DIAB CC1CCC(N(C)Cc2nc3ccccc3n2C(F)F)CC1 58563853 NSZJNRZZUNOOAK-UHFFFAOYSA-N 307.388 4.442 0 40 DIAB CC(C)Oc1cc(C(=O)NCc2cccs2)cc2occc12 71195349 KYEATPMYSFFGBS-UHFFFAOYSA-N 315.394 4.212 0 40 DIAB CCCCN1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 72218824 GKUPEHDCTKWABG-GOSISDBHSA-N 301.478 4.317 0 40 DIAB CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357523 XLBYJDVNOCGMRG-QGZVFWFLSA-N 320.358 4.458 0 40 DIAB CC[C@](C)(NCc1ncc(-c2cccs2)o1)c1nccs1 72683016 RRGBDTGBDRQXLB-HNNXBMFYSA-N 319.455 4.275 0 40 DIAB O=C(CN1C[C@@H]2CCCC[C@]21c1ccccc1)Nc1ccccc1 79103715 VWFOIORFOGTVHU-RXVVDRJESA-N 320.436 4.026 0 40 DIAB CC(=O)c1c[nH]c(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 83815629 YRQBLXKOXFNUKT-KRWDZBQOSA-N 312.413 4.125 0 40 DIAB Cc1c(Br)cccc1C(=O)N(C)c1ccccc1 88444436 KGDMQPHJRMWKPJ-UHFFFAOYSA-N 304.187 4.034 0 40 DIAB Cc1cccc2c1N(Cc1ccc(Oc3cnccn3)cc1)CC2 96003706 ILFLHQSYJDZIBY-UHFFFAOYSA-N 317.392 4.140 0 40 DIAB C[C@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1cccs1 96478031 FSLPSEPLOUOABO-RISCZKNCSA-N 314.376 4.010 0 40 DIAB Cc1nccn1-c1ccc([C@H](C)N[C@H](C)c2ccco2)cc1F 96479133 QZVPVJIFTPPAJL-QWHCGFSZSA-N 313.376 4.325 0 40 DIAB Oc1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)cnn12 100962655 ZWCHISUQTDMGAB-UHFFFAOYSA-N 321.767 4.422 0 40 DIAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@H](C)c1ccc2ccccc2c1 107504650 YDUSXYLTWIEXSB-QLVMHMETSA-N 324.468 4.137 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@]1(C)CC[C@H]2O 118914976 DQOPJSFDWXFQLN-MXURRZRCSA-N 304.474 4.061 0 40 DIAB O=C(O)CCCN1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 157064379 OHNLYZDDBGPJOX-AWEZNQCLSA-N 315.335 4.097 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1F 225448842 IIWFQKGJUUAOQV-OAHLLOKOSA-N 313.416 4.241 0 40 DIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225736275 ROSLOKHIELTWNA-LJQANCHMSA-N 321.461 4.482 0 40 DIAB COc1ccc(CC(=O)N[C@H](C)c2cc(C)ccc2C)cc1C 225749472 NNTJQVYHXLVUHC-MRXNPFEDSA-N 311.425 4.040 0 40 DIAB Cc1cc(-c2ncc(C)s2)nc([C@@H]2CCCCN2C(C)C)n1 257216963 CWWHLLJBXMMUPN-HNNXBMFYSA-N 316.474 4.152 0 40 DIAB CC(C)c1ccc(-c2noc(-c3cc(C4CC4)n(C)n3)n2)cc1 546231313 RJFFUWVXYNUXAQ-UHFFFAOYSA-N 308.385 4.138 0 40 DIAB CCC(C)(C)c1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)O)cc1 571888403 NOEZVTQAPQJGSO-QGZVFWFLSA-N 315.457 4.061 0 40 DIAB COCCn1c(-c2ccccc2)csc1=Nc1ccccc1 584905961 VAXXZRNBIVQFOO-UHFFFAOYSA-N 310.422 4.095 0 40 DIAB COc1ccc2oc(=O)c(-c3cccc(Cl)c3)c(C)c2c1 58007 XXVAXMOIIYHGNV-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic CCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 200800 IYIFZTVXJKDTJS-HNNXBMFYSA-N 321.424 4.246 0 40 DIAB CCOC(=O)CSc1nc(C(C)C)nc2sc(C)c(C)c12 414684 FGPBTAXKSYIKQC-UHFFFAOYSA-N 324.471 4.087 0 40 DIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccccc2)c1 429427 IAZOPXSNPTZWGY-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 483051 PRPIUTMWACLAKH-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 579707 UQLZJDMJZGZNTM-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC(=O)Nc1ccc(CCCCc2ccc(NC(C)=O)cc2)cc1 1556061 FNIPUDVMDQRWCR-UHFFFAOYSA-N 324.424 4.169 0 40 DIAB O=C(O)CCCCCCC(=O)c1cccc(Br)c1 2378609 SCDJZRUEXCGRND-UHFFFAOYSA-N 313.191 4.057 0 40 DIAB CCn1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cn1 2780287 JHDQZFJIFCJJRF-UHFFFAOYSA-N 303.450 4.011 0 40 DIAB CSCc1cc(NC2CCCCC2)nc(-c2ccncc2)n1 3105294 OVNQSDKIGHRPEP-UHFFFAOYSA-N 314.458 4.146 0 40 DIAB O=C(COC(=O)c1ccccc1Cl)c1ccccc1Cl 3237841 ZUDSZSFGTCMFCF-UHFFFAOYSA-N 309.148 4.033 0 40 DIAB c1nc(Nc2ccc3c(c2)CCC3)c2c3c(sc2n1)CCC3 3319534 QSEYGPFELVNQGN-UHFFFAOYSA-N 307.422 4.412 0 40 DIAB COc1ccc(OCCCC(=O)Nc2ccc(C)cc2C)cc1 3607811 UCTSKLWOEPWUNQ-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@@H](CCC)[C@H](C(C)=C[C@H]1C)[C@H]2C 4023380 WLQOPAUMPGYQCV-OGJJZOIMSA-N 323.477 4.156 0 40 DIAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4543295 ZPLGHHKDFSJMIF-MEDUHNTESA-N 312.438 4.035 0 40 DIAB Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F 6787178 HJEWWAUAECXCPN-UHFFFAOYSA-N 313.250 4.285 0 40 DIAB Fc1ccccc1NC(=S)N[C@H]1CCCc2ccccc21 6864699 JNWCBLRGUPKSBK-HNNXBMFYSA-N 300.402 4.190 0 40 DIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1cccc(F)c1 7917951 DWLBEMSOBLEMKD-NSHDSACASA-N 317.389 4.130 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 8478689 HVQDQZRHSJCHQY-CQSZACIVSA-N 315.438 4.431 0 40 DIAB Cc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2n1 8798646 ZCALAKBEVUQAKY-UHFFFAOYSA-N 320.270 4.407 0 40 DIAB Cc1occc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 10428218 YADDJBNTKKIKEF-UHFFFAOYSA-N 317.348 4.179 0 40 DIAB Nc1cccc(Cl)c1-n1nc(C(F)(F)F)c2c1CCCC2 12395450 JUTJLYGVIHJFHO-UHFFFAOYSA-N 315.726 4.006 0 40 DIAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cn1 12916362 WFXNYYDBCAPNGE-FQEVSTJZSA-N 316.404 4.104 0 40 DIAB O=C(NCc1cccs1)c1ccc(-c2ccc(F)cc2)o1 12980448 BEIYUOZMAQERFO-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)cc(Cl)c1 15636422 DPPOOGZZDZOHRW-UHFFFAOYSA-N 313.209 4.191 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c1 16047625 VIXUYSIZLNDXCE-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB Clc1ccc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc1 17169892 PILJIPCVWNBJIJ-UHFFFAOYSA-N 312.716 4.040 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2c(F)cccc21 18177592 BJULTEDHXQSKML-AWEZNQCLSA-N 320.364 4.323 0 40 DIAB CC(C)[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1cccs1 19312185 IVTQFPYNNDIORY-ZYHUDNBSSA-N 306.258 4.145 0 40 DIAB COCCOc1cccc(NCCCc2ccccc2Cl)c1 19737584 SDCXRLWDMVLSDN-UHFFFAOYSA-N 319.832 4.410 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(Cl)c2)c1 21264401 NROLNFPBMFZJDR-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 22511947 MFMIRKLFLPMUHI-QGZVFWFLSA-N 315.388 4.493 0 40 DIAB O=C(CSCCc1ccccc1)Nc1ccc(F)cc1Cl 24834162 CJMCROFEHROFOU-UHFFFAOYSA-N 323.820 4.394 0 40 DIAB COC(=O)c1cc(CSc2ccc3ccccc3n2)oc1C 28832799 BRPAEXJFMMUSGG-UHFFFAOYSA-N 313.378 4.215 0 40 DIAB Cc1ccc2c(NC(=O)c3cc(-c4ccco4)on3)cccc2n1 36709745 ZAEOCWLRTSTJNN-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB O=C(NCC1(c2cccs2)CC1)Nc1ccccc1Cl 38593157 KFEDEUGRFJTIBS-UHFFFAOYSA-N 306.818 4.255 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 40098770 XAIHMFOXGYPKCV-LSDHHAIUSA-N 302.418 4.129 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 42000954 LPFREVUQFHGDFT-CRAIPNDOSA-N 323.436 4.483 0 40 DIAB O=C(Nc1ccc2cn[nH]c2c1)C1(c2cccs2)CCCC1 42383568 WTNYOOOTLRJRFU-UHFFFAOYSA-N 311.410 4.075 0 40 DIAB Cc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)o1 58365724 IPHDSDLZCAPONH-UHFFFAOYSA-N 317.348 4.179 0 40 DIAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2nccs2)o1 75543876 DUCTYXILZIICAP-ZYHUDNBSSA-N 305.403 4.050 0 40 DIAB Cc1nc(C2CC2)ncc1-c1nnc(-c2ccc(Cl)cc2)o1 216607237 SDTXJINFOIBZDB-UHFFFAOYSA-N 312.760 4.033 0 40 DIAB CNCCCNc1ccnc2c(Oc3ccccc3)cccc12 222684132 QPKYADVCLCCMSR-UHFFFAOYSA-N 307.397 4.049 0 40 DIAB Cc1nc(NC(=S)N[C@H](C)c2ccccc2)ccc1Cl 223955154 TUUQSBOQOXXNMW-SNVBAGLBSA-N 305.834 4.091 0 40 DIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccccc1 225084660 LYRVMLRUIPBOSE-CQSZACIVSA-N 311.164 4.068 0 40 DIAB Cc1cccc(NC(=S)NC2(c3cccs3)CCCC2)n1 225873153 VXSIZUMPLDJLJR-UHFFFAOYSA-N 317.483 4.207 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226356523 VOMQIKZWOBATFW-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB Cc1cc(C(=O)NCc2nc(C3CCCCC3)cs2)c(C)o1 390832132 XNFRZDKGMJUIMB-UHFFFAOYSA-N 318.442 4.331 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)Nc1c(F)cccc1F 575609278 AJIPAVUXROJRNT-UHFFFAOYSA-N 318.279 4.140 0 40 DIAB Cc1cc(Br)c2cnccc2c1Br 686086298 TZLUTAMFHLZERW-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB O=C(NCCc1ccc(-c2cccs2)s1)c1ccoc1 1889192032 YZGZACKDLYYDQG-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 28118 QXZANJZDOXEGLQ-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CC(=O)N1c2ccccc2C(C)(C)O[C@H]1C(Cl)(Cl)Cl 98716 OEFAUGUOGQAXKE-NSHDSACASA-N 322.619 4.001 0 40 DIAB COC(=O)c1c(-n2c(C)ccc2C)sc2c1CC[C@@H](C)C2 1098287 QRDOWVSXUPFUQM-SNVBAGLBSA-N 303.427 4.067 0 40 DIAB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1 2741007 BSVMAZQCFAVQLB-UHFFFAOYSA-N 305.303 4.271 0 40 DIAB COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl 3885921 GQUSSKTYONFZOT-UHFFFAOYSA-N 312.756 4.014 0 40 DIAB C[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 4902409 CQUBGBZSMXDPTM-MRXNPFEDSA-N 324.424 4.149 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 5865015 GQWFYZPKTUVRFQ-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c1 6839454 AJYYMECATNUODW-UHFFFAOYSA-N 317.388 4.471 0 40 DIAB O=C(OCc1cc(-c2ccccc2)on1)c1cc2ccccc2[nH]1 7337421 UWNZQDRFUQCNHX-UHFFFAOYSA-N 318.332 4.180 0 40 DIAB c1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 8036528 DXBOVOOPHXJJIH-CQSZACIVSA-N 311.410 4.135 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8041526 HFAHELDKRYDORX-HNNXBMFYSA-N 317.360 4.021 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccccc3)n2)cc1 8208317 LAROTLLTSSBJNC-UHFFFAOYSA-N 308.406 4.113 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc3ccccc3c2)c1 8429133 TVKHLYKYFQWEAF-CQSZACIVSA-N 321.376 4.254 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@H](c1ccccc1)C1CC1 11212537 NRCMIVNIYCJWID-OAQYLSRUSA-N 323.436 4.456 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccccc1F 12877465 PXTPBYHOEYLGRN-NSHDSACASA-N 307.752 4.194 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2)c1 15578894 GJDFLANSGIOONU-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB O=C(CCC1CCCCC1)Nc1ccccc1N1CCCC1=O 16105480 WCTBRAKTQPWJSY-UHFFFAOYSA-N 314.429 4.112 0 40 DIAB FC(F)(F)c1ccc(-c2noc(COc3ccccc3)n2)cc1 17055151 YPXSURDGNVWLLU-UHFFFAOYSA-N 320.270 4.334 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 20455545 NPSGDKUBYLWQFZ-HNNXBMFYSA-N 315.388 4.007 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(C(F)(F)F)cc1 29240654 AIUZGTARJKBDHG-ANYFNZRUSA-N 309.287 4.189 0 40 DIAB Cc1ccc(-c2noc(-c3ccc(NC(=O)C(C)C)cc3)n2)cc1 32623029 IRZBPNWQKVPGFJ-UHFFFAOYSA-N 321.380 4.307 0 40 DIAB C[C@H](NC(=O)CCC1CCCC1)c1ccc(-n2ccnc2)cc1 36624534 XMHBEZODJMRSFA-HNNXBMFYSA-N 311.429 4.020 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)NC2CCCCCCC2)c1 48308999 GOYSOMNPHXDXAS-UHFFFAOYSA-N 317.433 4.270 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)c(C)c1 51355942 PTXOMUOPEWEPHY-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB Oc1cccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c1 58228566 BOHIJZRJQPRMNC-UHFFFAOYSA-N 324.355 4.008 0 40 DIAB Cc1cc(NCCn2c(C)nc3ccccc32)nc2ccccc12 69699170 PMDFRCZJUNXVCU-UHFFFAOYSA-N 316.408 4.313 0 40 DIAB COc1cccc(OC)c1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72221447 NRTIHBKVMOYJNV-ZDUSSCGKSA-N 321.417 4.166 0 40 DIAB O=C(c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 72225784 MOPKMLFAPYXKFA-UHFFFAOYSA-N 314.388 4.397 0 40 DIAB C[C@H](N[C@@H](C)c1cc2cc(Cl)ccc2o1)c1cnccn1 90034782 ICAQPQIFCILBNM-QWRGUYRKSA-N 301.777 4.288 0 40 DIAB CC(C)[C@@H](C)N(Cc1cnc(-c2cccnc2)s1)C1CC1 95453805 CMMWCJRDQCWFCG-CYBMUJFWSA-N 301.459 4.214 0 40 DIAB CCC[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 95478404 QOCADACZCUOJLI-QGZVFWFLSA-N 309.475 4.244 0 40 DIAB CO[C@@H](CNC(=O)c1cccc2ccccc12)c1cccc(F)c1 96388069 AUZANDFRWAOSFA-IBGZPJMESA-N 323.367 4.096 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101261929 VUMGPIOQOVMRQU-DDHJBXDOSA-N 307.484 4.159 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Oc2cnccn2)cc1 106563022 VWCMUFAWAXIPNM-KKUMJFAQSA-N 323.396 4.034 0 40 DIAB O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 140822195 PXBUCZNZTYPIFL-UHFFFAOYSA-N 322.282 4.250 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)cc1F 245170854 XJGAADNIMPDSSI-LLVKDONJSA-N 315.319 4.072 0 40 DIAB CC(=O)Nc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1 255190471 XKOZBUOJQTVRCF-UHFFFAOYSA-N 313.740 4.072 0 40 DIAB Cc1ccc(CC(=O)Nc2cncc3ccccc23)cc1Cl 1534088253 VOYXLGCTTFJWHV-UHFFFAOYSA-N 310.784 4.378 0 40 DIAB Cc1ccn2cc(-c3cc4cc(Cl)ccc4oc3=O)nc2c1 244945 LPFBFMVGBJHVHG-UHFFFAOYSA-N 310.740 4.070 0 40 DIAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]21 384452 MNMAEQVSXROYEC-UYAOXDASSA-N 321.420 4.377 0 40 DIAB Cc1cc2nc(Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C 394038 BMTYNKWFBUDWAH-UHFFFAOYSA-N 304.397 4.264 0 40 DIAB CCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OC(C)=O 518544 QTEXZXUEISELDK-UHFFFAOYSA-N 322.360 4.338 0 40 DIAB biogenic CC(=O)Nc1ccc2c(c1)[C@@H](N1CCCCC1)c1ccccc1-2 1602360 NJLDMBUQUAPTOL-FQEVSTJZSA-N 306.409 4.201 0 40 DIAB CCCCOC(=O)c1cccc(Cl)c1C(=O)OCCCC 1679889 SHSJHULJOSZBMB-UHFFFAOYSA-N 312.793 4.254 0 40 DIAB CC(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1 1934229 SCFXKHRAOZKBFC-OUKQBFOZSA-N 323.392 4.005 0 40 DIAB CCc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C 3136017 IQBWMRDUNVHDNF-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB Cc1cc(NC(=O)COc2ccc(F)cc2)ccc1C(C)C 4105134 KXLGEPMWUBWCFV-UHFFFAOYSA-N 301.361 4.275 0 40 DIAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc2ccccc12 4155742 KMZMCRYUGRYAIT-PKNBQFBNSA-N 317.344 4.220 0 40 DIAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4216514 WYZDXEKUWRCKOB-IHTGJJIASA-N 304.474 4.349 0 40 DIAB C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21 4216936 PTQMMNYJKCSPET-OMHQDGTGSA-N 302.458 4.125 0 40 DIAB in-man O=C(CNCc1cccs1)Nc1ccccc1-c1ccccc1 4501798 KKBXMIZRNNFSMW-UHFFFAOYSA-N 322.433 4.143 0 40 DIAB O=S(=O)(/C=C/c1ccccc1)c1ccc(Cl)cc1Cl 4610764 COVZNYWKGPJNGR-CMDGGOBGSA-N 313.205 4.438 0 40 DIAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 7540756 XEBWVBWRGWAKEV-HNNXBMFYSA-N 307.393 4.290 0 40 DIAB Cc1cccc(NC(=O)CN2CC=C(c3ccccc3)CC2)c1C 7651109 ISDVOUDVMJYWHU-UHFFFAOYSA-N 320.436 4.031 0 40 DIAB CC(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1 8343820 XMEQDZPBZCMEDA-UHFFFAOYSA-N 317.816 4.305 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732930 MTJZYFBGSMBLKU-AWEZNQCLSA-N 323.458 4.407 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2c(F)cccc2F)on1 12337045 PNOCBCWQYSWQLY-MRXNPFEDSA-N 306.356 4.379 0 40 DIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc2ccccc2o1 12435497 NLWDLPZTCQHUQK-UHFFFAOYSA-N 320.348 4.034 0 40 DIAB C[C@H](NC(=O)c1cccc2ncccc12)c1ccc(F)c(F)c1 12615109 WYHROWDMBFCOEP-NSHDSACASA-N 312.319 4.004 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1OC 15422022 CQVILGUSVZUAOR-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB CC(C)[C@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 17357428 YKJYVZAMVLPTPW-SFHVURJKSA-N 315.844 4.439 0 40 DIAB Cc1ccc(-c2cc(-c3cc(F)cc(F)c3)n3ncnc3n2)cc1 20800316 BUAGFZOAEKKPEA-UHFFFAOYSA-N 322.318 4.045 0 40 DIAB O=C(CSc1ccc2c(c1)CCC2)NCCC1=CCCCC1 21002987 MQKRPSQXEXEWGB-UHFFFAOYSA-N 315.482 4.274 0 40 DIAB CCCCC[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 22314214 VFKPETRCBHHTBB-LLVKDONJSA-N 315.417 4.107 0 40 DIAB COc1ccc(F)cc1-c1csc(NCc2ccco2)n1 22504210 JKLMRWYQMOWPNI-UHFFFAOYSA-N 304.346 4.163 0 40 DIAB Cc1cccc(-n2c(C)nnc2SCc2cccc(F)c2)c1 39569942 SMKGJXRTGXWGNA-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1 40175557 HLCTXYCWUWAKLC-UHFFFAOYSA-N 314.291 4.043 0 40 DIAB CCn1cc([C@H](C)N[C@H](C)c2ccccc2Br)cn1 44496382 KYMVBAXMWPUNGB-NWDGAFQWSA-N 322.250 4.077 0 40 DIAB CC(C)(C)c1cnc(CSc2nc(-c3cccs3)n[nH]2)o1 46212792 IWZGFBFMLYYTMB-UHFFFAOYSA-N 320.443 4.111 0 40 DIAB CCC(C)(C)NC(=O)c1cnc(-c2ccc(C)cc2C)s1 61111105 UQELLIHGNXSNMK-UHFFFAOYSA-N 302.443 4.345 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH]c1=S 72217057 AHWHZYSSYBVWFP-HNNXBMFYSA-N 314.410 4.218 0 40 DIAB Cc1cc([C@@H]2CCCCN2CC(C)C)cnc1N1CCCC1 72218822 DPAKOYXLGLBLHL-SFHVURJKSA-N 301.478 4.173 0 40 DIAB Clc1ccc(CN2CC[C@H](Oc3ccncc3)C2)c(Cl)c1 84343478 RJOWDVFJYDYGEY-HNNXBMFYSA-N 323.223 4.042 0 40 DIAB CC(C)c1nc(C[S@@](=O)[C@@H](C)c2ccccc2F)cs1 89893565 JJYVPUISXUGVDJ-YBTHPKLGSA-N 311.447 4.416 0 40 DIAB C[C@@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 96012918 OXFBZBMDWQSVFE-LLVKDONJSA-N 308.397 4.463 0 40 DIAB O=C(NCc1ccco1)c1ccc(Oc2ccccc2Cl)o1 96182538 MYIMCCXFOVXKQR-UHFFFAOYSA-N 317.728 4.248 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 113960094 RHCQBVQFFCGXIC-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(C)cc2)cc1 113969058 YYVUZSFAJISNMG-IBGZPJMESA-N 311.425 4.031 0 40 DIAB Cc1nc(C(C)C)ncc1-c1nnc(-c2ccccc2Cl)o1 216609265 DJVZNLUPLZECAJ-UHFFFAOYSA-N 314.776 4.279 0 40 DIAB CC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 224928210 UYLMXFLLZZSEPP-UHFFFAOYSA-N 324.424 4.326 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1 225079365 LKGWGVZKZPURKQ-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CC(C)Oc1c(Br)cc(C(C)(C)C)cc1C(=O)O 225283683 DHKFWBDCDVOSTP-UHFFFAOYSA-N 315.207 4.232 0 40 DIAB CCOC(=O)c1nc2cc(Cl)ccc2c(Cl)c1Cl 685937552 QWMDIJVISHJCJY-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB Cc1ccc(-c2nnc(N(C(=O)C3CCC3)C(C)C)s2)cc1 1345464 ZTEOAPXFNKKFPX-UHFFFAOYSA-N 315.442 4.055 0 40 DIAB CC(=O)[C@@H](Cc1ccc(Cl)cc1)Cc1ncc(Cl)s1 1403852 AVQYOAVTGFFBFF-NSHDSACASA-N 314.237 4.440 0 40 DIAB CCCCc1ccc2nc(NC(=O)c3ccncc3)sc2c1 2628315 LMBNFDLVMIKMLQ-UHFFFAOYSA-N 311.410 4.286 0 40 DIAB Cc1ccc(OCCOC(=O)CCc2c[nH]c3ccccc23)cc1 4286415 HYIQBQABFSRSJW-UHFFFAOYSA-N 323.392 4.031 0 40 DIAB COc1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 4330898 DEIUUNSQPQYCLV-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB O=C(c1ccccc1)[C@@H]1CN(C2CCCC2)[C@@H]1c1ccccc1 5412041 DYOADTOJACZXAL-WOJBJXKFSA-N 305.421 4.485 0 40 DIAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)cc2)cc1 5617977 CUHBVUBREUIUDP-UHFFFAOYSA-N 312.756 4.199 0 40 DIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 5661610 CBERVHDLXHUIDA-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB CCC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl 5793843 XXMMTOQSUSSNBK-LLVKDONJSA-N 318.244 4.457 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1c(C)cc(Cl)nc1Cl 6668348 CRPDBNPCWFOCJA-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 8062439 RSZDOXZZKSXFGY-HNNXBMFYSA-N 323.392 4.306 0 40 DIAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccco1 8359976 OUUPKYPYABANAW-HNNXBMFYSA-N 321.376 4.203 0 40 DIAB Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCC(=O)O)c1 8367952 RXPHKJAOYMFDQM-DJKKODMXSA-N 317.772 4.171 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8478035 XDBABXJHTCSALZ-CQSZACIVSA-N 315.438 4.431 0 40 DIAB Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c1 9157758 YZCNMZPOKNNPPR-LBPRGKRZSA-N 304.340 4.021 0 40 DIAB CSc1cccc(C(=O)Nc2ccc3ncsc3c2)c1 10217367 QNBVGUPIVUEDSV-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB CCCCC1CCC(C(=O)NCC2(N(C)C)CCCCC2)CC1 11917190 IXCLHUBHMUPSDQ-UHFFFAOYSA-N 322.537 4.364 0 40 DIAB COc1ccc(Nc2ccc(NC(=O)c3ccoc3)cc2)cc1 12549530 BCEGYGLZGSKVGR-UHFFFAOYSA-N 308.337 4.284 0 40 DIAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13709608 RTZSHZLBRYWMLF-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2F)cc1C 13930834 HKRIWSLTJWEBAX-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2ccccc2c1 13946395 QPQFPDOAEWNAER-UHFFFAOYSA-N 319.470 4.143 0 40 DIAB C[C@@H]1CCCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1 14113713 AKQPUYYGJWUEHN-GFCCVEGCSA-N 321.346 4.399 0 40 DIAB Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 16311190 BZQHOGVOPFELBZ-UHFFFAOYSA-N 310.422 4.229 0 40 DIAB C/C=C/COc1cc(NC(=S)c2ccoc2C)ccc1OC 16958210 QGAMPXMFWLQPFR-SNAWJCMRSA-N 317.410 4.339 0 40 DIAB COc1ccc(S[C@H](C)C(=O)NC2CCCCCCC2)cc1 20484891 GTIVYIGJQXZFAP-CQSZACIVSA-N 321.486 4.405 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 22532773 HRXZFDZXUFABGT-SJORKVTESA-N 311.425 4.257 0 40 DIAB Cc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)o1 27223052 QBNBAAPIRFCEOR-LJQANCHMSA-N 321.424 4.000 0 40 DIAB COc1cc(CNc2ccccc2)cc(Br)c1OC 36815585 PVYZAKZJVZKURR-UHFFFAOYSA-N 322.202 4.078 0 40 DIAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1cccc(F)c1 40141176 PUGIXYHJZMCQSO-UONOGXRCSA-N 317.429 4.325 0 40 DIAB Cc1csc(Sc2ccc(NC(=O)C3CCC3)cc2)n1 47192506 XEFHMUGQCOWFJG-UHFFFAOYSA-N 304.440 4.341 0 40 DIAB CCN(Cc1ccc(C(=O)Nc2cccc(F)c2)cc1)C(C)C 58244675 PEEUFWFFGLRUNH-UHFFFAOYSA-N 314.404 4.308 0 40 DIAB Cc1nn(CC(C)C)c(Cl)c1CNC[C@@H](C)c1ccccc1 61013312 PAWDDYAJAFNDQC-CQSZACIVSA-N 319.880 4.394 0 40 DIAB C[C@@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1 72285907 AZRHEDBYFSMDCY-HOCLYGCPSA-N 314.454 4.391 0 40 DIAB C[C@@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1ccccn1 75722795 BCWLEJSIDXTYMB-OAHLLOKOSA-N 322.452 4.288 0 40 DIAB c1cncc(CN(Cc2ccco2)Cc2nc3ccccc3o2)c1 96004562 UWEJGSNGUIYXQG-UHFFFAOYSA-N 319.364 4.018 0 40 DIAB O=C(CC(=O)c1ccc(Cl)cc1)Cc1ccc2ccccc2n1 104151828 PWZYXHHXUXKCRA-UHFFFAOYSA-N 323.779 4.273 0 40 DIAB C[C@@]1(O)C[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118936469 CQZAVYPFAQQMBG-VZFHKOHWSA-N 316.485 4.061 0 40 DIAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3)c2)n1 170580185 JHOHDGNVJMLLJB-UHFFFAOYSA-N 318.380 4.089 0 40 DIAB C[C@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 182554524 WQZHIRHWRDTGCX-AWEZNQCLSA-N 307.349 4.189 0 40 DIAB Cc1ccnc(N(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)c1 199716506 ZZUURACEPYLADA-UHFFFAOYSA-N 316.376 4.471 0 40 DIAB CC(F)(F)c1cc(Br)cc(OC(F)(F)F)c1 201703848 CLDKRXCTNFBKEU-UHFFFAOYSA-N 305.040 4.459 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1CCCCC1 224446746 NHTNXYFJBOFROH-MRXNPFEDSA-N 309.837 4.194 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)cc1C 225056940 DCYCCLVSVJDHDN-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1ccccc1CNC(=S)Nc1ccc(OC(C)C)cc1 225310066 AOAWCRZMHMFSKV-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB CC(C)Oc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1 225328134 YGCHQSCEGOWEAZ-UHFFFAOYSA-N 308.491 4.441 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccccc2Cl)cc1N 226266762 VOZMAJLNDUZNGR-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB CC(C)N1CCC(c2ccnc(-c3ccnn3C(C)C)c2)CC1 257232393 GKRYIJKLRXAZTG-UHFFFAOYSA-N 312.461 4.114 0 40 DIAB CCCCCCc1nnc(NC(=O)CCc2ccccc2)s1 2056651 MQSDHKAQDHRRTA-UHFFFAOYSA-N 317.458 4.232 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 2694403 ZOHVSEXZWRMRLF-BDXSIMOUSA-N 319.489 4.203 0 40 DIAB O=C(NCc1ccc(F)cc1)C1c2ccccc2-c2ccccc21 3106296 OWJWDSZTCPQUDQ-UHFFFAOYSA-N 317.363 4.254 0 40 DIAB CC[C@@H](C)NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3242605 WEZJIZUZNKTJFG-PKVLTRFUSA-N 303.402 4.343 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 3561738 ZFPXTGXDYXGTIX-UHFFFAOYSA-N 307.349 4.125 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)c(C)c1 5695963 NPRGEDCHESDGAO-UHFFFAOYSA-N 316.451 4.343 0 40 DIAB COc1cccc(CNC(=S)Nc2ccc(C)c(Cl)c2)c1 7967225 GMBOSOTVAMJEHF-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8569167 WMPJGVGOWJHAOY-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB CC(=O)Nc1cccc(Oc2ccc(N)c(C(F)(F)F)c2)c1 14630372 IGYJDHOPDWXOJR-UHFFFAOYSA-N 310.275 4.038 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccccc1 20492825 BQWVHIZEPJBJHH-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB O=C(NCCc1ccccn1)c1ccc(C2CCCCC2)cc1 21774052 ICSBNXCMDQOPQR-UHFFFAOYSA-N 308.425 4.102 0 40 DIAB c1coc(-c2nc(CSc3nccn3C3CC3)cs2)c1 25640005 KPAGQRWCSYEWCQ-UHFFFAOYSA-N 303.412 4.227 0 40 DIAB C[C@@H](c1cccs1)N(C)C(=O)c1nc(Cl)ccc1Cl 32841992 MOKWYBHBROYDJU-QMMMGPOBSA-N 315.225 4.283 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C 32856081 GEDNMAAGODJUQQ-UHFFFAOYSA-N 322.339 4.137 0 40 DIAB O=C(Nc1ccc(Cl)cn1)c1ccc(SC(F)F)cc1 40039359 TXBXNLGMGPWEGC-UHFFFAOYSA-N 314.744 4.302 0 40 DIAB C[C@H]1C[C@H](C)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 41362963 ILCGTASCJZFVMQ-STQMWFEESA-N 304.821 4.473 0 40 DIAB CC(C)c1ccc([C@@H](C)NCc2c[nH]nc2-c2cccnc2)cc1 42933619 QOQPRSVZNPMOGQ-OAHLLOKOSA-N 320.440 4.446 0 40 DIAB CCOc1ccccc1CNC(=O)Nc1ccccc1Cl 44845499 DILNMBXEMKYEKW-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB c1ccc(-c2c[nH]c(SCc3cn4ccccc4n3)n2)cc1 58367148 IEHDGRIMYXOMEA-UHFFFAOYSA-N 306.394 4.017 0 40 DIAB O=C(Nc1cccc(NC2CCCC2)c1)c1ccncc1Cl 72913282 KKWIKGGUAVSXLJ-UHFFFAOYSA-N 315.804 4.342 0 40 DIAB Cc1csc(-c2ccc(C(=O)N3C[C@H](C)CC[C@H]3C)cc2)n1 75291898 CYLCTUWRYSWWFB-TZMCWYRMSA-N 314.454 4.379 0 40 DIAB Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2C)ccc1N(C)C 78413801 DXICHOXALUMTHG-DYVFJYSZSA-N 303.450 4.103 0 40 DIAB O=C(Nc1cccc(-c2ncco2)c1)[C@H]1C[C@H]1c1cccc(F)c1 89779615 COOIFZPGRLEHMY-IRXDYDNUSA-N 322.339 4.223 0 40 DIAB O=C(c1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1F 95917443 XEIYSFGPJXVFFZ-UHFFFAOYSA-N 320.188 4.234 0 40 DIAB CC(C)c1cccc(CSCC(=O)N2[C@@H](C)CCC[C@H]2C)n1 95980004 BVRWMKWMKWINPY-GASCZTMLSA-N 320.502 4.228 0 40 DIAB COc1ccc([C@H](C)[C@@H](C)NC2CC(C)(C)NC(C)(C)C2)cc1 97016412 BJXOPMOBERCBCH-HUUCEWRRSA-N 318.505 4.086 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COC 224683718 LDZQYUFXAXEEKP-UHFFFAOYSA-N 313.397 4.046 0 40 DIAB O=C(NCCSC1CCCC1)C1(c2ccccc2)CCCC1 224684487 KKCOOVKYZSEOEK-UHFFFAOYSA-N 317.498 4.290 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)c(Cl)c1 225004139 YFODQOUIHSHCDT-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB CCCCCC(=O)Nc1ccccc1-c1ccc(C(=O)O)o1 226351948 SCIOOTNNJFWZDT-UHFFFAOYSA-N 301.342 4.164 0 40 DIAB CCOc1ccc(NCc2ccc(OCC)c(OCC)c2)cc1 237025877 HVGFDJJGHSDCRY-UHFFFAOYSA-N 315.413 4.495 0 40 DIAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)O)ccc1OC2(C)C 257341006 ZILIJFYRTUFPSA-XPKDYRNWSA-N 304.386 4.192 0 40 DIAB CC[C@H](C(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1 390829355 DTZQYGDRFSLTOT-SFHVURJKSA-N 320.392 4.152 0 40 DIAB Clc1cccc2nc(-c3cnc(-c4ccncc4)s3)[nH]c12 550857342 CBBFYWVHDYYSKH-UHFFFAOYSA-N 312.785 4.402 0 40 DIAB CC1(C)[C@@H](C(=O)NC2CCCCCC2)[C@@H]1C=C(Cl)Cl 36352 JHEXNANCEAYZDG-WCQYABFASA-N 304.261 4.417 0 40 DIAB Cc1ccc(OC(=O)c2cc(F)c(Cl)nc2Cl)cc1C 384940 KTGVGJPOWTYBFT-UHFFFAOYSA-N 314.143 4.364 0 40 DIAB CC[C@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C 501211 MUVVNQHRUQTFFH-YVEFUNNKSA-N 324.852 4.258 0 40 DIAB CC[C@@]1(C)Cc2c(sc3nc(SC)[nH]c(=S)c23)CO1 1282620 DWGYWSRWBNSTPT-ZDUSSCGKSA-N 312.485 4.317 0 40 DIAB O=C(Nc1cc(Cl)ccc1Cl)c1cccnc1Cl 1418815 LOTCNIKGJJGAFR-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Nc1ccc(NC(=O)c2ccc3ccccc3c2O)c(Cl)c1 1596941 WCILLABDKIZPNK-UHFFFAOYSA-N 312.756 4.033 0 40 DIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccc1 1718237 NWEVQURHUSROFY-UHFFFAOYSA-N 323.417 4.082 0 40 DIAB COc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1 2041656 OPUYSQDGAFUHKF-UHFFFAOYSA-N 305.377 4.201 0 40 DIAB O=C(Nc1nc2c(Cl)cccc2s1)c1c(F)cccc1F 4071280 FEIUYKSBQGJMPR-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB CCSC(SCC)c1nnc(S)n1-c1ccccc1 6223870 MFJBCFQSDXLAFB-UHFFFAOYSA-N 311.501 4.061 0 40 DIAB Cc1cc(Br)ccc1NC(=O)Nc1ccccc1 6796673 WRJGFAYCIBYYJS-UHFFFAOYSA-N 305.175 4.402 0 40 DIAB O=c1[nH]c2ccccc2nc1/C=C/c1ccc(Cl)c(Cl)c1 7130314 UBJIVNBVVAHGAS-SOFGYWHQSA-N 317.175 4.400 0 40 DIAB COc1ccccc1OCCn1c(C)c(C(C)=O)c2ccccc21 7277527 HJQADDFTIVWDEY-UHFFFAOYSA-N 323.392 4.240 0 40 DIAB Cc1ccc(COc2ccc(C(=O)O)cc2Br)cc1 7603885 QNBSVFWKHFHGGQ-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB COc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1 8470332 WSNVLJNREMJQNS-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB Cc1cc(C)c(C(=O)O[C@H](C)CNC2CCCCC2)c(C)c1 8637341 ZKUHFYWXFBFEMF-MRXNPFEDSA-N 303.446 4.079 0 40 DIAB FC(F)n1ccnc1CSc1nc2ccc(Cl)cc2[nH]1 8706410 ZBHRSSMNMXOJIU-UHFFFAOYSA-N 314.748 4.100 0 40 DIAB Cc1ccc(Cl)c(OCc2nnc(-c3ccc(F)cc3)o2)c1 8940102 LBWBHLKHZCUDJB-UHFFFAOYSA-N 318.735 4.417 0 40 DIAB Cc1ccoc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9054383 ZCMJHXKMNVATOK-HNNXBMFYSA-N 315.369 4.308 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)NC1CCCCCCC1 9762201 KEDJLSJSNCITRQ-UHFFFAOYSA-N 312.413 4.493 0 40 DIAB Cc1nc2ccccc2nc1Oc1ccc2c(C)cc(=O)oc2c1 12950056 UPUGSEWHODIBSL-UHFFFAOYSA-N 318.332 4.145 0 40 DIAB Cc1oc(C)c(C(=O)Nc2cccc(Br)c2)c1C 13006777 JAGHXHOOGLOZSF-UHFFFAOYSA-N 308.175 4.220 0 40 DIAB O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(F)c1 13325236 LPJRNFWXRKYYIS-UHFFFAOYSA-N 313.376 4.066 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 15085179 CBXGBCJPIFTWIN-QMTHXVAHSA-N 313.422 4.053 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@](C)(O)C=C[C@]34C)[C@@H]1CC[C@@H]2O 17185656 OETCOSLGEFSALY-UAMJIQGISA-N 318.501 4.307 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 18175835 QSWKALVCWRTRFW-SFHVURJKSA-N 310.397 4.373 0 40 DIAB C[C@H]1CCCN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)[C@@H]1C 19496688 RYNAYTUYWPFNAP-JJRVBVJISA-N 313.445 4.035 0 40 DIAB CCCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20136630 UVZBDECYGHXLBY-UHFFFAOYSA-N 301.386 4.266 0 40 DIAB Cc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)c(Cl)c1 20357111 NQGCURUWHOZCBN-SECBINFHSA-N 304.777 4.014 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 22532769 HRXZFDZXUFABGT-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Fc1cc(/C=C/c2nc3ccccc3o2)ccc1-n1ccnc1 25061149 IZPYHJRVFHGJSH-SOFGYWHQSA-N 305.312 4.323 0 40 DIAB CCC(C)(C)C1CCC(NC(=O)/C=C/c2cccnc2)CC1 26895984 RTXFFWSNJKJCHS-KPKJPENVSA-N 300.446 4.206 0 40 DIAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccoc1 27276139 CAFFMJHSBHNBHH-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB C[C@@H](CNC(=O)CCCc1nc2ccccc2o1)c1ccccc1 32042221 XLPWJFLRPXDPGA-HNNXBMFYSA-N 322.408 4.070 0 40 DIAB O=C(c1cccc(F)c1)N(Cc1cccc2[nH]ccc12)C1CC1 32073531 YPPYSVCQCMGOPQ-UHFFFAOYSA-N 308.356 4.112 0 40 DIAB Cc1cc2occ(CC(=O)Nc3ccncc3)c2cc1C(C)C 32732249 LSQRRUYUSFNICP-UHFFFAOYSA-N 308.381 4.441 0 40 DIAB O=C(c1ccccc1Br)c1cncc2ccccc12 45028884 JDBJQEBAOLNQHS-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 45889022 FLIZXWJTAZBWNP-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB COC(=O)N1CCc2nc3ccccc3c(-c3ccccc3)c2C1 89401085 QMPDBFKMYUMPKI-UHFFFAOYSA-N 318.376 4.026 0 40 DIAB Cc1ccc([C@H](O)c2cccc(Br)c2)cc1Cl 95730268 FMJPECWNXVUYBY-CQSZACIVSA-N 311.606 4.493 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Cl 222875847 OEFAACWRSKMEAS-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB Cc1ccc(OCCCC(=O)NC[C@@H](C)c2ccccc2)cc1 224143479 YODQCVOTFVWSLZ-QGZVFWFLSA-N 311.425 4.074 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1Cl 225079179 FGKAFLZVXZZIAD-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB OCc1sc2ccc(Br)cc2c1C(F)(F)F 396274064 ZSXPJMUHMUJQKR-UHFFFAOYSA-N 311.122 4.175 0 40 DIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccco2)S1 408803107 LHCNBHJEJYWTOU-UHFFFAOYSA-N 319.793 4.004 0 40 DIAB CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1508241 HCQRCFVJAFVFJJ-UHFFFAOYSA-N 304.393 4.430 0 40 DIAB Cc1c(Cl)cccc1NC(=O)COc1cccc(Cl)c1 3603973 DPPSSDPHVKRJOS-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB C[C@@H]1C(=O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1 5706479 UVKYPKNCQJIGKV-JBCDFXQESA-N 318.457 4.385 0 40 DIAB biogenic Cc1cc2ncn(-c3ncnc4c3oc3ccccc34)c2cc1C 8726298 NERLSYRXASOTEK-UHFFFAOYSA-N 314.348 4.332 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1c(F)cccc1F 9950104 YPDKYESMWPWXIG-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc2ccsc2[nH]1 12818671 IVNJMXUKKXJDHP-NSHDSACASA-N 314.410 4.037 0 40 DIAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)c(Cl)c1 12920773 LIGQLYRHWSQIHB-CYBMUJFWSA-N 323.845 4.030 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1O 14164401 DSDLWQZXDIESLB-UHFFFAOYSA-N 316.407 4.138 0 40 DIAB CCCCOc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 19074372 CFVLJSVEDPAFOF-UHFFFAOYSA-N 305.324 4.396 0 40 DIAB CCCc1ncc(CN[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 19525784 PAPSKKLIZVECSO-FMWKFLBASA-N 321.468 4.101 0 40 DIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 20046043 FPHYIWKUIHHKQQ-KGLIPLIRSA-N 315.438 4.053 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20137484 IRMQWDNJPJSPGS-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB COP(=O)(OC)[C@H](NCc1ccccc1)c1ccc(F)cc1 22028093 ZBIKIDUGHLXSLB-INIZCTEOSA-N 323.304 4.100 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CCCCCC1 22508693 FEMHENMJBVBAAF-HNNXBMFYSA-N 303.446 4.416 0 40 DIAB CC(C)CO[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1 23467563 OIIIOICLCBFRRN-LJQANCHMSA-N 317.404 4.037 0 40 DIAB Cc1ccc(O)c(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 27025431 VPHSBGWRGQJFDY-UHFFFAOYSA-N 324.405 4.385 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)Nc1nc2ccccc2s1 32924043 NEBOQJNGVDRELZ-UHFFFAOYSA-N 317.439 4.437 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1F 36393420 PGDQRLNFFIHMKQ-CHWSQXEVSA-N 318.367 4.395 0 40 DIAB Cn1c(C(=O)Nc2ccc(F)cc2F)c(Cl)c2ccccc21 40143276 MONIQRYNVAAOKC-UHFFFAOYSA-N 320.726 4.362 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1 40449478 MPYIQVSAEHFQHB-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB in-vitro Cc1nc(CSc2nnc3cc(C)c4ccccc4n23)oc1C 40556315 YQENYXOAQGLQSP-UHFFFAOYSA-N 324.409 4.088 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1c(Cl)cccc1Cl 43209805 UKUTWPUUEWSRGN-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1 56358905 IULHDUKJMGCXBY-UHFFFAOYSA-N 303.793 4.178 0 40 DIAB Cc1ccsc1CN(CCCOC(C)C)Cc1ccncc1 57797114 CBJDLCGRMAPLMF-UHFFFAOYSA-N 318.486 4.269 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C 59351208 OPRYOOFHSNCKFE-DLBZAZTESA-N 311.425 4.257 0 40 DIAB O=C1N=C(Nc2cccc(Cl)c2)/C(=C/c2ccncc2)S1 72400838 WECNOWZVSOSIKO-JYRVWZFOSA-N 315.785 4.453 0 40 DIAB O=C(CCCc1ccccc1)OCc1nc2ccc(F)cc2o1 79098371 AQMFCZATGBNYDE-UHFFFAOYSA-N 313.328 4.033 0 40 DIAB CO[C@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1C 96105180 IKRYAWMCZHBBAP-GOSISDBHSA-N 312.413 4.121 0 40 DIAB CC(C)N(C(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(F)cc1 97000401 BCIUXDPGMQDBTL-ZDUSSCGKSA-N 304.192 4.151 0 40 DIAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 106925317 YEQUGIJYZILWFP-AYMQEEERSA-N 317.860 4.313 0 40 DIAB CCc1ccc([C@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1 223583960 HCEIKZFKXOCWIE-ZDUSSCGKSA-N 323.392 4.495 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)c(Cl)c1 225004079 NBYFGQYBXWNBHA-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB Cc1cc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)on1 244942698 CVPUVCOEOOGJJG-UHFFFAOYSA-N 320.392 4.013 0 40 DIAB CCCCCN1C(=O)S/C(=C\c2ccccc2OCC)C1=O 409214713 XZIOXODARGLQPN-QINSGFPZSA-N 319.426 4.312 0 40 DIAB CC(C)N(C)Cc1ccc(NC(=O)c2ccoc2C2CC2)cc1 585140542 GSAKDRHOEXXUIA-UHFFFAOYSA-N 312.413 4.250 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(OC)c3ccccc23)cc1 244061 LVPUEXRBOKXVIE-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB CCc1ccc(NC(=O)CSCc2ccccc2F)cc1 1892717 KXECTZSKTTXCJA-UHFFFAOYSA-N 303.402 4.260 0 40 DIAB Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1C 2617611 JJRALXGNMYYSAH-UHFFFAOYSA-N 316.451 4.227 0 40 DIAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc2ccccc2c1 3184341 VRFKEACKUCXVAW-UHFFFAOYSA-N 319.470 4.333 0 40 DIAB CC(C)c1ccccc1NC(=S)NC(=O)C1CCCCC1 3245002 MWGVXEBGYOKYEX-UHFFFAOYSA-N 304.459 4.203 0 40 DIAB COc1cccc(OCCCCCCNCc2ccco2)c1 3247075 QRZFMHFIODRHQN-UHFFFAOYSA-N 303.402 4.017 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 3373186 AROMFYUZCXOHMV-IBGZPJMESA-N 309.409 4.281 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)c1ccc2ncsc2c1 3430612 AGJYNOMDHRNWDE-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CCC(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 5296823 SNPNIZRNCROJMI-SNVBAGLBSA-N 312.649 4.001 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccccc1 5682719 UIQGBEAQUYZUSX-VQHVLOKHSA-N 320.219 4.366 0 40 DIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 5863092 UOAOJMHVMDSHLN-NSHDSACASA-N 323.849 4.237 0 40 DIAB O=C1c2cc3c(cc2C[C@@H]1Cc1ccc2c(c1)CCC2)CCC3 6006575 FYJNCYGUILDRIW-FQEVSTJZSA-N 302.417 4.262 0 40 DIAB CCOc1ccccc1NC(=O)Nc1cc(C)ccc1OC 7067131 OBBXHOMWPSVXBU-UHFFFAOYSA-N 300.358 4.046 0 40 DIAB CCOc1ccccc1CSc1nc(-c2cccs2)n[nH]1 8231134 YTRQWYGFDPLHDC-UHFFFAOYSA-N 317.439 4.224 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)c3ccc[nH]3)ccc21 8272232 CYRASLCDTSVUIE-UHFFFAOYSA-N 303.365 4.395 0 40 DIAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1 8394659 XKFXDOJDOFIJEP-GOSISDBHSA-N 317.454 4.061 0 40 DIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1 12620279 YKDAPGWSKDYYJB-AWEZNQCLSA-N 303.814 4.307 0 40 DIAB CCC(C)(C)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 12767810 ZCZYUPCXSUDUSF-UHFFFAOYSA-N 312.413 4.196 0 40 DIAB O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)C1CC1 12888953 BJDWVUKNLNAUSE-UHFFFAOYSA-N 302.324 4.161 0 40 DIAB c1ccc(Nc2cc(-c3ccsc3)nc([C@H]3CCNC3)n2)cc1 19373341 WZGGPXZXHJYRGO-ZDUSSCGKSA-N 322.437 4.026 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccnc1 20456627 VVJOYARGBUWSRR-QGZVFWFLSA-N 306.365 4.031 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@@H](c2ccccc2C)CC3=O)c1 20632848 MVOYZUQCWRCSEO-MRXNPFEDSA-N 316.404 4.402 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1ccccc1Cl 24549308 RVKSCZCKFWXFPX-UHFFFAOYSA-N 306.745 4.016 0 40 DIAB Fc1ccc(OCc2nc3ccccc3n2C(F)F)c(F)c1 40068591 MCYQJFLXJBXTEH-UHFFFAOYSA-N 310.250 4.289 0 40 DIAB CCc1cccc(NC(=O)N(CC)Cc2cccc(F)c2)c1 40098830 XPVYBRWEEVJGRM-UHFFFAOYSA-N 300.377 4.442 0 40 DIAB Cc1cc(C)cc(Oc2cc(CNC(=O)CC(C)C)ccn2)c1 40106803 HPWHTIRCKSZKCU-UHFFFAOYSA-N 312.413 4.153 0 40 DIAB CCc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 65550742 ANXNCUYTLNDFCJ-GFCCVEGCSA-N 300.324 4.055 0 40 DIAB COCc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 66971258 VDUYVVYNPGZDKC-UHFFFAOYSA-N 324.449 4.246 0 40 DIAB CC(C)n1cc([C@H](C)N[C@@H](CCc2ccccc2)C(F)F)cn1 95996325 TZQDLFOKSJLRDU-YOEHRIQHSA-N 321.415 4.381 0 40 DIAB CC(C)n1cc([C@@H](C)N[C@H](CCc2ccccc2)C(F)F)cn1 95996326 TZQDLFOKSJLRDU-RHSMWYFYSA-N 321.415 4.381 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COC(C)C 224714348 SAWGKRLWVVHLJG-UHFFFAOYSA-N 313.397 4.263 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225690405 KJLITYSQXOTBJG-LJQANCHMSA-N 321.461 4.482 0 40 DIAB C[C@@H](O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 226273090 RDGMIEKCSBRNQM-SECBINFHSA-N 310.180 4.299 0 40 DIAB CCOC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 95227 CTWPHPBKNPWRPC-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB CCCCn1nc(NC(=O)CC)c2cc3cccc(C)c3nc21 2414749 MRDINUAFSXZOFC-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB COc1cccc(CC(=O)Nc2cc(Cl)ccc2Cl)c1 2618080 IFOLUUWKHLQEHI-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccccc1)C2 3172211 YIIPITJRZYIZAL-INIZCTEOSA-N 302.377 4.093 0 40 DIAB Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1 3410852 RNZAMNSKXGQZEJ-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB O[C@@H](c1ccncc1)c1c(-c2ccccc2)[nH]c2ccccc12 4247744 JAYZZRNUIXTTLZ-FQEVSTJZSA-N 300.361 4.312 0 40 DIAB Cc1csc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cn12 4249074 PNSVLJOMNPWEFF-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)O 4976746 LJFJPDHXAWVDSA-XJKCOSOUSA-N 304.386 4.002 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1-c1ccccc1 5062646 NVIVHVYLYCEBOP-VQIMIIECSA-N 323.436 4.427 0 40 DIAB Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1 5538599 NHCIUPRWUNNENX-UHFFFAOYSA-N 315.241 4.251 0 40 DIAB Cc1cccc(NC(=O)COc2cccc(OCC(C)C)c2)c1 5619625 HQEWGGHUBIDHRW-UHFFFAOYSA-N 313.397 4.047 0 40 DIAB C[C@H]1CCc2sc(C(=O)N3CCCc4ccccc43)cc2C1 6510678 DRTVQGWWIXLFMT-ZDUSSCGKSA-N 311.450 4.466 0 40 DIAB CC1CCN(c2nc3c(c(C(F)(F)F)n2)CCCCC3)CC1 6814442 GVFMDHDBGULJJR-UHFFFAOYSA-N 313.367 4.001 0 40 DIAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccccc2Cl)o1 8039278 YKWYPUOJRTWQQQ-CABZTGNLSA-N 311.838 4.061 0 40 DIAB Cc1cccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1 8127345 OTHYOZXUTIIKNY-UHFFFAOYSA-N 318.420 4.219 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1 8209659 MDODCRMGLKISJY-UHFFFAOYSA-N 314.435 4.175 0 40 DIAB CCOc1c(CNCc2ccccc2Cl)cccc1OC 8253476 PELVHHBLUKSHFO-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB O=C1C[C@H](c2ccccc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8994948 GMNFJWKJGLQLQF-CQSZACIVSA-N 323.783 4.204 0 40 DIAB CSc1ccc(CN(C)C(=O)Nc2ccc(F)cc2F)cc1 9459977 BYMRWRQVBPVWSN-UHFFFAOYSA-N 322.380 4.351 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC(C)=O)cc1 9553714 GIJDGVHYZXKQSZ-ZDUSSCGKSA-N 311.381 4.378 0 40 DIAB Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1ccccc1 10310936 PWRMCPRDMQFLRX-SFHVURJKSA-N 308.425 4.079 0 40 DIAB CC(C)(C)c1ccc(CCC(=O)NCCc2ccccc2)cc1 10325153 PFAJSOFREGJBDN-UHFFFAOYSA-N 309.453 4.276 0 40 DIAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1 12321986 LZDPBGUFZUZMGT-IBGZPJMESA-N 320.392 4.056 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 15648623 GEDFOEGWMCCUOF-AWEZNQCLSA-N 315.388 4.205 0 40 DIAB Cc1nc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cs1 15832308 FRISYPGDCMHIPH-UHFFFAOYSA-N 320.801 4.090 0 40 DIAB Cc1nc2ccccc2nc1COc1cccc2cccnc12 16265469 KKCGWMZOXNCTNY-UHFFFAOYSA-N 301.349 4.065 0 40 DIAB Cc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccco1 20192531 JJXQCZKWMFQOMT-UHFFFAOYSA-N 318.442 4.176 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(C(C)C)C(C)C)c1 20486392 QMXMTUHZCPYBOL-MRXNPFEDSA-N 305.462 4.176 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccccc1 20492824 BQWVHIZEPJBJHH-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB OC1=Nc2n[nH]cc2[C@H](c2ccc(Cl)cc2Cl)SC1 20730557 IFHPNIURUZTACL-NSHDSACASA-N 314.197 4.141 0 40 DIAB CCc1ccc(CCC(=O)N[C@@H](C)c2ccccc2OC)cc1 23530567 ZAAQVZCAQXAJOZ-HNNXBMFYSA-N 311.425 4.068 0 40 DIAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 24839187 OTMVJWNWLVXVFS-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c(C)o1 27921295 COLZNAVBZBBXQI-UHFFFAOYSA-N 323.396 4.010 0 40 DIAB Cc1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1C 40017863 KAVPYPSSEKSGEZ-UHFFFAOYSA-N 323.436 4.125 0 40 DIAB O=C(Nc1nncs1)c1ccc(-c2ccccc2Cl)s1 40286564 DIMXRPPVXJGGDD-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB Cc1cc(C)cc(NC(=O)NCCCCN2CCCC[C@@H]2C)c1 45958323 MQOXZVNMMDVLES-KRWDZBQOSA-N 317.477 4.080 0 40 DIAB COCCCC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 58268275 DESJCZNQKHBMMS-OAHLLOKOSA-N 312.413 4.225 0 40 DIAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H]1c1ccc[nH]1 71818789 ORKUKNQXKFDPES-DYEKYZERSA-N 314.351 4.047 0 40 DIAB C[C@@H]1CCN(C(=O)Nc2cccnc2Cl)[C@H](c2ccco2)C1 75546535 XPFJCFNCRZMIPY-YPMHNXCESA-N 319.792 4.333 0 40 DIAB O=C(Nc1cc(Cl)nc(Cl)c1)NC1CCCCCC1 85389181 CXBSZUIGHMKXGG-UHFFFAOYSA-N 302.205 4.233 0 40 DIAB Cc1cccc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1 101947569 HGMFBLPKHROMTQ-WDSOQIARSA-N 319.404 4.068 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 103451953 LFHFPGLXPSYAQT-YDHLFZDLSA-N 301.430 4.367 0 40 DIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2F)c1 113959628 BVFSTCGPKSFERH-INIZCTEOSA-N 317.360 4.021 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2)cc1 224019567 JZKCAHQVFVBLSE-KXBFYZLASA-N 311.425 4.284 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1F 224242349 KXNODYHUBWNPMP-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1C 225033373 CAPZVAILDWUWBT-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCOc1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 225305127 IZKLSAGVTJSGNN-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CN(C)CCOc1ccc(F)cc1Oc1cccc(Cl)c1 585265212 ITSIFOUOPPPGHQ-UHFFFAOYSA-N 309.768 4.212 0 40 DIAB CC(C)(C)OC(=O)N1CC2(CC2)c2cccc(Br)c21 1772715292 QCQDLKOLNFPITE-UHFFFAOYSA-N 324.218 4.236 0 40 DIAB Cc1cccc(C)c1NC(=O)Cn1c(C)c(C=O)c2ccccc21 578824 DGIOHHVPFUKGTL-UHFFFAOYSA-N 320.392 4.018 0 40 DIAB Cc1ccc([C@](O)(CNC2CCCCC2)c2ccccc2)cc1 1843031 JKLAJIMTXFALCO-NRFANRHFSA-N 309.453 4.153 0 40 DIAB CCCCN(CCCC)Cc1cc(=O)oc2c(C)c(O)ccc12 2240921 MCCDFHPCEXWMOB-UHFFFAOYSA-N 317.429 4.209 0 40 DIAB biogenic Cc1cc(C)c2sc(NC(=O)c3c(F)cccc3F)nc2c1 4331367 DWPUXPWOIWPKCH-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB C[C@@H]1CCCCN1Cc1ccccc1CC(=O)c1ccccc1 5187339 NTDITIGBWSJJEV-QGZVFWFLSA-N 307.437 4.486 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 5559365 DCHOFGBEVWXZGL-GFCCVEGCSA-N 318.214 4.249 0 40 DIAB Cn1ccnc1SCc1ncc(-c2ccc(Cl)cc2)o1 6975503 XPSCTOBFBYFGOA-UHFFFAOYSA-N 305.790 4.021 0 40 DIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccco2)cc1 7883971 MOQOKNYLALVRNL-IBGZPJMESA-N 318.376 4.355 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1C 9140056 SPUCOEJNAUKLKB-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB CCc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12756907 IUFNCJLHONMEJM-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB COCc1c(C(=O)Nc2c(C)cccc2C)oc2ccccc12 14196865 XTOUMYGGMDEWFE-UHFFFAOYSA-N 309.365 4.448 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2)cc1OC 14426789 VCQTWMQBWVYDPI-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB COc1cc2ccccc2cc1C(=O)N1c2ccccc2C[C@@H]1C 16022848 PXLMFCRXOSITEF-AWEZNQCLSA-N 317.388 4.440 0 40 DIAB Fc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19293931 VWONYFDQGVRCSY-HNNXBMFYSA-N 318.442 4.417 0 40 DIAB Fc1ccccc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19349019 ZLEOOIZNIZLEQH-INIZCTEOSA-N 309.388 4.082 0 40 DIAB FC(F)(F)c1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1 19798363 MECNATMMNGQQES-INIZCTEOSA-N 316.326 4.422 0 40 DIAB NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 24889383 MRDFKCBCACNPSZ-ZDUSSCGKSA-N 312.221 4.312 0 40 DIAB Cc1ccccc1CN1CC[C@H](c2nc3cc(F)ccc3o2)C1 35446914 BLTKGDPVCBJXSG-HNNXBMFYSA-N 310.372 4.265 0 40 DIAB biogenic,in-vitro O=C(CCn1ccc2ccccc21)NC12CC3CC(CC(C3)C1)C2 36392864 XRCWRYOSROOYAM-UHFFFAOYSA-N 322.452 4.116 0 40 DIAB CCCSc1nnc(NC(=O)/C=C/c2ccc(C)cc2)s1 39989113 HCXJCIMWMAEXQS-CMDGGOBGSA-N 319.455 4.001 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cnc(-c3cccc(F)c3)nc2)c1 40156838 XRLXTLNBILBAIS-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB Cc1ccccc1C[C@H](C)NC(=O)Cn1c(C)cc2ccccc21 48285852 FZGTVDZUEQOQFJ-INIZCTEOSA-N 320.436 4.006 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)c1 55410298 YAWOSTIFRSEJMY-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB COc1ccc2ncc3c(-c4ccc(C)c(C)c4)n[nH]c3c2c1 67172722 RYLPNSHWXIOTKB-UHFFFAOYSA-N 303.365 4.404 0 40 DIAB C[C@@H](c1ccccc1Cl)N(Cc1nnc(C2CC2)o1)C1CC1 69563802 UFKONMCHEVRICP-NSHDSACASA-N 317.820 4.326 0 40 DIAB Cc1cc2nc(-c3ccc(N)c(Br)c3)[nH]c2cc1C 70461509 SJCHIGVGVIGNLU-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB CCN(CCNc1cccc(F)c1C(C)=O)c1cccc(C)c1 71924288 GGEYZZNZYGTAOL-UHFFFAOYSA-N 314.404 4.275 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213807 GMNXDSLOJSEAIA-HNNXBMFYSA-N 317.433 4.118 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CCC1 72213905 UHCMYHIMYHNNKH-GOSISDBHSA-N 321.424 4.023 0 40 DIAB CCCOc1cccc(C(=O)N2c3ccccc3CC[C@H]2C)c1 72291284 OCKOMKPBHADKBI-OAHLLOKOSA-N 309.409 4.457 0 40 DIAB S=C(Nc1ccccc1)N1CCC[C@@H]1CCc1ccccc1 84528463 FSPPKKLIWXBEAT-GOSISDBHSA-N 310.466 4.481 0 40 DIAB CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C 90886635 ZHENVOOVVMCWIS-GTNSWQLSSA-N 315.417 4.052 0 40 DIAB Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1 95422815 BUUXQPAZANUZCE-MNOVXSKESA-N 315.442 4.183 0 40 DIAB CCc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 96586331 WZIBQSKKLOEFMX-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB Cc1ncc(CNCc2ccc(Oc3ccccc3)o2)s1 97236038 VCMDUMZGIAEPEP-UHFFFAOYSA-N 300.383 4.127 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC=O 118915123 ZQSXNBHXKJQHBH-WUAATOCISA-N 318.457 4.140 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225633126 VFMCPGCDAILXKP-KDOFPFPSSA-N 305.418 4.008 0 40 DIAB COC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1 36658 LZSQQWLNWAMWTO-UHFFFAOYSA-N 311.406 4.425 0 40 DIAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 175493 BBYATSRYEIYRON-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c(C)c1 364921 XSHMNTHPFCDUMP-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2ccccc2Cl)cc1 568266 YXXKHZNYRBOQPC-UHFFFAOYSA-N 316.832 4.434 0 40 DIAB COc1ccc(CNCC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 2206393 BKIXVSLKBOMXIY-HXUWFJFHSA-N 319.489 4.406 0 40 DIAB CCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 2667168 ONBHJNHFTRKHHA-GFCCVEGCSA-N 323.651 4.020 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](NCC(C)C)c2ccccc2)c1 3280661 JJABEPMTENYPQK-IBGZPJMESA-N 310.441 4.229 0 40 DIAB Cc1cc(C)c(NC(=O)CN2c3ccccc3C[C@H]2C)c(C)c1 3536967 GDAHMTDTBPXSDF-MRXNPFEDSA-N 308.425 4.002 0 40 DIAB O=C(/C=C/C1=Cc2ccccc2OC1)Nc1ccccc1Cl 5034404 AIEGLWWGBZTFEW-MDZDMXLPSA-N 311.768 4.311 0 40 DIAB Cc1nc2ccccc2n1CC(=O)Nc1cccc2ccccc12 5238394 KGYGJOOVAKYEJR-UHFFFAOYSA-N 315.376 4.137 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 6053053 AACKAYHFPRXDHP-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB COc1ccc(CNC(=O)NC2CCCCC2)c(C(C)(C)C)c1 6262661 DEUWCLZFPMFPTK-UHFFFAOYSA-N 318.461 4.125 0 40 DIAB CCOc1ccc(NC(=S)NC2CCCCCCC2)cc1 6333239 FJZKECUALKKERB-UHFFFAOYSA-N 306.475 4.485 0 40 DIAB CCC[C@H](C(=O)OCCNC1CCCCC1)c1ccccc1 6381019 QFIRHCSZZJFCBV-SFHVURJKSA-N 303.446 4.036 0 40 DIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(F)cc2)cc1 6560062 GRGUMSLVRJTWCL-NSHDSACASA-N 317.385 4.148 0 40 DIAB CC(=O)c1ccc(OC(=O)Cc2ccc3ccccc3c2)cc1 7656252 CUTSNGYNQMHVJK-UHFFFAOYSA-N 304.345 4.191 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1F 9502817 ZMCBPNUQOWPXLM-UHFFFAOYSA-N 323.368 4.116 0 40 DIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 11565698 MERQMAIZKXALFF-IAGOWNOFSA-N 323.392 4.183 0 40 DIAB Cc1ccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 12908699 NIMUPUCHNVMKMI-OAHLLOKOSA-N 316.401 4.493 0 40 DIAB C[C@H](NC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl 13004123 YYGWRRVEBRALCZ-VIFPVBQESA-N 313.184 4.147 0 40 DIAB COc1ccc(OC)c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 13005653 OZJHOMKDBVYOFH-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB COc1ccc(OC)c(-c2csc(-c3ccc(O)cc3)n2)c1 14255344 NEXLRWPLBIAHAG-UHFFFAOYSA-N 313.378 4.200 0 40 DIAB O=C(/C=C/c1ccco1)NC1c2ccccc2Oc2ccccc21 17288254 WCJILHJFQUUBOM-VAWYXSNFSA-N 317.344 4.304 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)cc1C 20050502 TWEZAZLHXBBNCK-TYZQSYOASA-N 309.409 4.203 0 40 DIAB CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258210 GCZIOUMYJQCQQI-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB CCCC[C@H](NC(=O)c1cccs1)c1nc2ccccc2[nH]1 40165601 MYLGMARMUBYBMP-AWEZNQCLSA-N 313.426 4.286 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccc(C)cc1 55703545 OPQRHVQCZMLOOD-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB CC(C)(C)c1ncc(NC(=O)c2ccccc2C(F)(F)F)cn1 58228617 CHHSBIMJOMIZSR-UHFFFAOYSA-N 323.318 4.045 0 40 DIAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 69848916 PFGVITSCNSIOBD-KXBFYZLASA-N 323.440 4.325 0 40 DIAB Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)ccc1N(C)C 78413791 DXICHOXALUMTHG-SUMWQHHRSA-N 303.450 4.103 0 40 DIAB CS[C@H]1CCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 96409416 JCLIORCNMVOCKF-QWRGUYRKSA-N 317.376 4.109 0 40 DIAB O=C(c1ccccc1)N1[C@H]2CCCC[C@H]2S[C@H]2CCCC[C@H]21 100986029 OVVFTWHENPMSBS-FZDBZEDMSA-N 315.482 4.498 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCC[C@H]1c1nccs1 106912428 ZFZQNLBUWBBOQG-OAGGEKHMSA-N 312.438 4.000 0 40 DIAB CCOC(=O)c1nc(-c2cccc(C(F)(F)F)c2)sc1C 161545517 KWMDVZXPWNHUHS-UHFFFAOYSA-N 315.316 4.314 0 40 DIAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(F)cc21 223232309 XTWAXQHJNRBIDO-UHFFFAOYSA-N 315.344 4.319 0 40 DIAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2)c2ccccc2O1 223969409 GSMFRVLHOYABGG-QGZVFWFLSA-N 309.409 4.499 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224187012 RHFYICVSQNMNGD-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)CC(C)(C)C 224447285 WIOXBISBXSRWNH-OAHLLOKOSA-N 309.425 4.314 0 40 DIAB CC[C@@H](NC(=S)Nc1ncccc1C)c1ccc(C)c(C)c1 225712557 MBFGKXIJLBNCQS-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1C 225731558 OBGXIQPWLXMXLJ-GOSISDBHSA-N 307.434 4.318 0 40 DIAB Cc1ccc2c(c1)[C@H](NC(=O)NC1CCCCC1)CC(C)(C)O2 225757349 NKXPQQVDQJGXRK-MRXNPFEDSA-N 316.445 4.229 0 40 DIAB Cc1ccc([C@@H](NC(=S)Nc2ccncc2)C(C)C)c(C)c1 225766560 LSQPSPZOXBYXFX-KRWDZBQOSA-N 313.470 4.382 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260624971 XCQOMBAADLFNNF-PBHICJAKSA-N 303.446 4.285 0 40 DIAB Cc1cc(C)n(C(=O)CSc2ccc(C(C)(C)C)cc2)n1 39043 VRZCUHAGBJLNQQ-UHFFFAOYSA-N 302.443 4.230 0 40 DIAB Cc1cc(O)c(NC(=O)COc2cccc3ccccc23)cc1C 330853 VTTDUXXJNVOWFZ-UHFFFAOYSA-N 321.376 4.180 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c1 505946 KDSRVIBQZBITCF-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2)c(C)c1 1021002 VFUBDMYWGHVIHD-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB COc1ccc(Cl)cc1Nc1cc(Cl)ccc1C(=O)O 1717483 GYWBQALTOLZWKF-UHFFFAOYSA-N 312.152 4.444 0 40 DIAB COc1ccc(-c2cc(C(F)F)n3nc(C)c(Cl)c3n2)cc1 2787053 DUZZWNOKTFJBDG-UHFFFAOYSA-N 323.730 4.304 0 40 DIAB O=C(Nc1cccc(Cl)c1)OC(C(F)(F)F)C(F)(F)F 3157028 NULQZAXKBGOCFD-UHFFFAOYSA-N 321.604 4.382 0 40 DIAB COc1cc(Cl)c(C)cc1Nc1ncnc2sccc12 3287091 UAKJDINJFGNKHA-UHFFFAOYSA-N 305.790 4.405 0 40 DIAB CC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 3504162 HWDIKAISBVWYHJ-UHFFFAOYSA-N 313.422 4.472 0 40 DIAB CC(=O)Nc1cccc(Oc2ncnc3sc(C)c(C)c23)c1 3568191 VGIPPCWHVZWXRM-UHFFFAOYSA-N 313.382 4.059 0 40 DIAB O=C(c1c(Cl)ccc(F)c1F)N1CCCc2ccccc21 4861065 BECOPHYCDYJQLU-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 5476788 PNRLPVRXLBDAFX-MAZHCROVSA-N 303.402 4.030 0 40 DIAB Nc1nc2nc(-c3cccs3)cc(C(F)(F)Cl)c2s1 5688294 KDTILLDXOIGLCA-UHFFFAOYSA-N 317.773 4.290 0 40 DIAB O=C(Cc1cccs1)Nc1cc(Cl)ccc1N1CCCC1 5934640 LLXJQNFCMSPWPG-UHFFFAOYSA-N 320.845 4.183 0 40 DIAB NC(=O)c1cc(Cl)ccc1OCc1cccc2ccccc12 7022603 UFUHRLSMMAGEIL-UHFFFAOYSA-N 311.768 4.171 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2s1 7767401 IIPXCWOEGLWYCH-LLVKDONJSA-N 314.435 4.416 0 40 DIAB C[C@@H]1C[C@@H](C)CN(c2nc(C(F)(F)F)nc3ccccc23)C1 8232538 GBJUIRCRZKYMLU-GHMZBOCLSA-N 309.335 4.131 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cc2c[nH]c3ccccc23)C1 8764226 ZZVHFDYCBPKARA-FOIQADDNSA-N 310.441 4.138 0 40 DIAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C 8919020 YBCJBQPJJBRDJX-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 9733028 QHKVIUVGCBJMCQ-BEFAXECRSA-N 323.436 4.383 0 40 DIAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 10461537 KGLXSBNAWVALGA-UHFFFAOYSA-N 316.360 4.191 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2ccccc21 12985474 VNOGXNHQVKSEII-AWEZNQCLSA-N 302.374 4.184 0 40 DIAB Clc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 13121869 DCXOEABCLIVSFE-OLZOCXBDSA-N 316.817 4.139 0 40 DIAB O=C(c1ccco1)N1CCc2sccc2[C@@H]1c1ccccc1 14236335 RUAKQMKFKXTKDN-KRWDZBQOSA-N 309.390 4.129 0 40 DIAB Cc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 14255268 BAHXZGCSBPVYJW-UHFFFAOYSA-N 317.454 4.338 0 40 DIAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2cccs2)CC3=O)cc1 17056159 VFFHWUIZUKWAQF-CQSZACIVSA-N 322.433 4.463 0 40 DIAB CCc1nc(-c2cc(Cl)cc(Cl)c2)c(C(=O)O)s1 21986893 LQFGKPGMSCXAIG-UHFFFAOYSA-N 302.182 4.378 0 40 DIAB Cc1c(-c2ccc(NC(=O)C(C)(C)C)cc2)nc2ccccn12 24002963 FMPURCGBVYKZSG-UHFFFAOYSA-N 307.397 4.294 0 40 DIAB Cc1cc(C)cc(-n2ccnc2S[C@@H]2CCCCC2=O)c1 26045742 CYBFBZPYKWAFNK-MRXNPFEDSA-N 300.427 4.093 0 40 DIAB CN1/C(=C\C(=O)Nc2ccc(F)cc2)C(C)(C)c2ccccc21 32699252 FOKJVGKEBUGYSA-ATVHPVEESA-N 310.372 4.076 0 40 DIAB C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 35052379 GCKMFJBGXUYNAG-SIRBJWHBSA-N 302.458 4.269 0 40 DIAB C[C@H](Cc1ccco1)NC(=O)Nc1cccc(C(F)(F)F)c1 44444290 GWBOYQHYXXFWGJ-SNVBAGLBSA-N 312.291 4.051 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1F 45089760 PPGYLOJDNLXQMO-LBPRGKRZSA-N 319.401 4.095 0 40 DIAB CCCCNc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72213606 FZFAJAZWRQIKBD-GOSISDBHSA-N 323.440 4.271 0 40 DIAB C[C@H](c1ccc(Cl)cc1)N(C(=O)C1=CCCCO1)C1CC1 72997108 ILDBEKHHHSZISD-GFCCVEGCSA-N 305.805 4.086 0 40 DIAB CCN(CC)C(=O)[C@@H](Nc1ccc(C)c(F)c1)c1ccccc1 98081196 WIUOLKYMVKGUAM-SFHVURJKSA-N 314.404 4.156 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@@H]2CC[C@@H]1C2 103260470 XKSFFQZQYJKWPV-KKZNHRDASA-N 306.818 4.324 0 40 DIAB COc1cccc(COc2cc(F)ccc2Br)c1 160287350 ZSADAUWHWDTATK-UHFFFAOYSA-N 311.150 4.176 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2)cc1 224019450 JZKCAHQVFVBLSE-HNAYVOBHSA-N 311.425 4.284 0 40 DIAB CCOC(=O)C[C@@H](O)c1ccc(C)cc1/C=C/c1ccccc1 575372170 BPIDWNLMYJNJCR-GNISGLHKSA-N 310.393 4.152 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 141697 AOGDFFIVTULNIA-YOEHRIQHSA-N 303.446 4.058 0 40 DIAB CCN(C(=O)c1ccc(Br)cc1)c1ccccc1 365999 UERPFWQHXQZQJW-UHFFFAOYSA-N 304.187 4.116 0 40 DIAB S=C(SNC1CCCCC1)SNC1CCCCC1 1604836 DMXAPDQPFUZSIO-UHFFFAOYSA-N 304.550 4.412 0 40 DIAB CCCCN(CCCC)C1=C(Cl)C(=O)c2ccccc2C1=O 1756545 FHBKKODKLUVYTF-UHFFFAOYSA-N 319.832 4.418 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCc2ccc(F)cc2)cc1 4354772 UDPLACHDZZZJDJ-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)s1 5280572 DJJHEZMCPZMLKK-UHFFFAOYSA-N 303.408 4.481 0 40 DIAB Cc1cc2nc(NC(=O)Nc3ccc(Cl)cc3)[nH]c2cc1C 6233370 GWUOIQVOQBIQCP-UHFFFAOYSA-N 314.776 4.477 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1ccc3ccccc3c1)S[C@H](C)C(=O)N2 6678454 CVDLSEXVSGVCDF-BDJLRTHQSA-N 323.421 4.035 0 40 DIAB O=C(C1CCC1)N1CCc2sccc2[C@H]1c1cccs1 7947116 JESMTTWCBGGTJB-HNNXBMFYSA-N 303.452 4.084 0 40 DIAB Fc1ccccc1NC(=S)NCCSCc1ccccc1 7971051 DITRYFPKGGVTJE-UHFFFAOYSA-N 320.458 4.046 0 40 DIAB Cc1cc(C)cc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 10860419 XQOKRIDGWPUXPH-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)c(F)c1 12985032 UYNKYOYNVKPHFY-HNNXBMFYSA-N 303.402 4.345 0 40 DIAB CCc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 12992029 MVIQHIWEBWZPTE-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB C[C@@H]1CCc2sc3ncn4c(-c5ccccc5)nnc4c3c2C1 13624197 PFMIFNBBJADTDH-LLVKDONJSA-N 320.421 4.131 0 40 DIAB COc1cccc2cc(/C=C/C(=O)N(C)c3ccccc3)oc12 14205972 CYJGIFARXIJDSC-VAWYXSNFSA-N 307.349 4.118 0 40 DIAB CCC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 14258105 IVXGUMSNEUQOEC-UHFFFAOYSA-N 322.412 4.201 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 18173603 OTNKJSUOPMEQJL-VIFPVBQESA-N 306.715 4.146 0 40 DIAB O=C(CCC1CCCCC1)Nc1ccc(Cl)c(C(=O)O)c1 18194095 ONKJCHPKWIKELA-UHFFFAOYSA-N 309.793 4.337 0 40 DIAB CC(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 18210606 YMQUBGRMDQJNQI-UHFFFAOYSA-N 324.833 4.041 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)cc1 24040843 YSMUHYUIUAAPDV-RTBURBONSA-N 311.425 4.420 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2c1C 32277756 MHHYEKCRCADZPY-LJQANCHMSA-N 319.408 4.157 0 40 DIAB COc1ccc(CSc2noc(-c3cccc(C)c3)n2)cc1 32611985 JAIWFQVCRXZLJL-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB C[C@H]1Oc2c(C(=O)Nc3cccc4cccnc34)cccc2[C@H]1C 32820220 YOTPAIYBUWDRQD-QWHCGFSZSA-N 318.376 4.372 0 40 DIAB CC[C@@H]1CCc2c(sc3c2c(=O)nc2n3Cc3ccccc3-2)C1 36611863 DGTKTRHSRRYFJE-LLVKDONJSA-N 322.433 4.002 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 40097682 QILQZWOLWWARPI-QMMMGPOBSA-N 324.705 4.285 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)c1cc2c(s1)CCCC2 57416274 UQMPFAMNJOSYLL-UHFFFAOYSA-N 323.820 4.349 0 40 DIAB S=C(NCc1cccs1)N[C@H]1CCc2c(Cl)cccc21 63790810 KHKRQIRNZHLQQP-AWEZNQCLSA-N 322.886 4.053 0 40 DIAB CCN(C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72212743 YRULCNPQPIMKLV-LJQANCHMSA-N 309.457 4.265 0 40 DIAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCc2ccccc21 72222910 FTMRSNVQJAHKAI-FQEVSTJZSA-N 315.420 4.132 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H]1CCC(=O)N1Cc1ccccc1 85430298 FNJCJHGXSRJKTF-SFHVURJKSA-N 304.393 4.340 0 40 DIAB Cc1nccn1Cc1cccc(CN[C@@H](C)c2cccs2)c1 89735788 YJPVRLDAPPWLSE-AWEZNQCLSA-N 311.454 4.152 0 40 DIAB CN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95858019 ZSTQCIVAAMTXKR-YRQPXTNQSA-N 319.533 4.320 0 40 DIAB CCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)nn2c1O 102802762 NQYQNMULSDPION-UHFFFAOYSA-N 315.804 4.325 0 40 DIAB O=C(c1cc(C(F)(F)F)ccc1Br)C(F)(F)F 103566347 BOZACJOLFKKPAA-UHFFFAOYSA-N 321.014 4.213 0 40 DIAB Cc1ccc(C(=O)CN(C2=NCCS2)c2ccccc2C)cc1 104390244 GJZXEQRVSHIHBK-UHFFFAOYSA-N 324.449 4.096 0 40 DIAB c1cc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)cs2)cs1 106108278 UZWOKAXXOLPCNF-HUUCEWRRSA-N 320.483 4.015 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222611783 SDAFMQQUFCCOAJ-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1 225031721 DLJALKWFYZUUAE-LJQANCHMSA-N 312.409 4.303 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1C 225472680 YKRJGFVJORCODY-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 225673402 QBHATRQDJPQRQY-LJQANCHMSA-N 319.445 4.316 0 40 DIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1 225907965 QHRFMIDVFJIIPA-GOSISDBHSA-N 322.449 4.184 0 40 DIAB CCN(C(=O)c1ccc(-c2ccc(N)cc2)o1)c1ccccc1 226303899 STUZGAVZKPWARH-UHFFFAOYSA-N 306.365 4.196 0 40 DIAB CCOP(=O)(OCC)O[C@](C)(c1ccccc1)C(F)F 306145748 PACXEIBKRJRHNM-CYBMUJFWSA-N 308.261 4.365 0 40 DIAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1 1051083 QBYDAKSVDNWPRY-UHFFFAOYSA-N 315.372 4.445 0 40 DIAB Clc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 1586291 KPVPTINGBNRXOZ-UHFFFAOYSA-N 321.771 4.213 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 3561596 PKUHOXLIDMYUAO-SECBINFHSA-N 311.715 4.024 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CC[C@@]43C)CO5)[C@@H]1CC[C@@H]2O 4915776 YCSDPVROPBHVSJ-QFHQRVFTSA-N 304.474 4.159 0 40 DIAB CCCc1cc(NC2CCCC2)n2nc3nc(C)cc(C)c3c2n1 5347995 RXSFLRASTCGDTB-UHFFFAOYSA-N 323.444 4.201 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1 7608673 OITWHIBCKVYSPO-LBPRGKRZSA-N 305.830 4.137 0 40 DIAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2)cc1 7871765 QNICOTSNIURNMW-KPKJPENVSA-N 315.800 4.020 0 40 DIAB Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 8343990 JWLSQDYGIBJUDI-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB O=C(C[C@@H]1C=CCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 9155922 JKGXNPJKDJRKBW-ACJLOTCBSA-N 315.413 4.449 0 40 DIAB CCOc1ccc(Oc2nc3ccccc3nc2Cl)cc1 9914245 LDRCVDPGIXYQMX-UHFFFAOYSA-N 300.745 4.474 0 40 DIAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1OC 10002578 ZVTBNZYCBGCMAH-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB CC(=O)c1ccc(N[C@H](C)c2nnc(-c3cccs3)o2)cc1 12789965 OGUSGRCNPHHGHC-SNVBAGLBSA-N 313.382 4.174 0 40 DIAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 12869472 WOHDHBYNIQKQKV-SNVBAGLBSA-N 320.364 4.383 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 13709824 VBTCWNYUXJMDGF-NSHDSACASA-N 321.829 4.468 0 40 DIAB CCCCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 14876740 HXAYMQUKTOGOTE-UHFFFAOYSA-N 310.397 4.240 0 40 DIAB COc1ccccc1O[C@H](C)CNc1cccc(OC(C)C)c1 19737504 RCXKEZUXLQAROD-OAHLLOKOSA-N 315.413 4.362 0 40 DIAB CCN[C@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1 23425273 AAUMWNSHXIIZSU-IBGZPJMESA-N 306.409 4.264 0 40 DIAB Cc1ccc(-n2ccnc2S[C@@H]2CCCCCC2=O)cc1C 26044772 FMWOTOUMSPAATB-QGZVFWFLSA-N 314.454 4.483 0 40 DIAB Cc1ccn(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)n1 28303510 ORBYHQOOBBAQFH-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CC1=C(c2ccc(Cl)cc2)[N+](=O)[C@](C)(c2ccccc2)N1O 38344750 FLMBULUSTQVAGO-QGZVFWFLSA-N 315.780 4.385 0 40 DIAB Brc1ccsc1-c1csc(-c2cnccn2)n1 48365217 IVJZNYLDHQVLNB-UHFFFAOYSA-N 324.228 4.091 0 40 DIAB Cc1ccc(-c2nnc(Sc3nc4ccccc4o3)o2)cc1 51353569 GSFHLZDECSXTAO-UHFFFAOYSA-N 309.350 4.337 0 40 DIAB Cc1csc(-c2ccc(NC(=O)CCc3ccccn3)cc2)n1 69491365 DDEBQJGUOXHCEG-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CCCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213230 GVIIYQYMWCEGDO-SFHVURJKSA-N 323.440 4.271 0 40 DIAB CCN(Cc1ccccn1)C(=O)Nc1ccc2ccn(CC)c2c1 84332230 DASGFTHUUGNPDR-UHFFFAOYSA-N 322.412 4.110 0 40 DIAB O=C(c1cccc2[nH]ncc12)N(Cc1ccccc1)CC1CCC1 84535645 PDQXQMRQJFSFJI-UHFFFAOYSA-N 319.408 4.005 0 40 DIAB CC(C)(C)c1nnc(CN2CCC(=Cc3ccccc3)CC2)o1 89761534 NBZZUCRHCSDXGL-UHFFFAOYSA-N 311.429 4.047 0 40 DIAB CC[C@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 95968435 HRAAAVFWZYJICW-PBHICJAKSA-N 312.413 4.045 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cc2c[nH]c3ccccc23)C1 100787891 ZZVHFDYCBPKARA-MGPUTAFESA-N 310.441 4.138 0 40 DIAB biogenic Cc1ccc(Nc2ccc(N)cc2C(=O)NC(C)C)cc1Cl 225474239 USWCFVMJQOCSQT-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB Cc1ccc(C(C)(C)NC(=O)c2oc3c(C)cccc3c2C)cn1 332398664 ZFAPLXQLBJWDKE-UHFFFAOYSA-N 322.408 4.418 0 40 DIAB COc1ccc(CCCC(=O)Nc2cccc(F)c2C)cc1C 409001115 GYPVSMURERWFFD-UHFFFAOYSA-N 315.388 4.413 0 40 DIAB c1ccc([C@H](CN[C@@H]2CCCC[C@H]2[C@H]2CCOC2)C2CC2)cc1 576592012 ZONGNLZNJUCIRF-XSDIEEQYSA-N 313.485 4.365 0 40 DIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(C)cc1 1565524680 RZMNJIHILPAARF-UHFFFAOYSA-N 311.410 4.057 0 40 DIAB CCCc1c(C)nc2scc(-c3ccc(Cl)cc3)n2c1=O 72867 BOYJTGRDUVULOV-UHFFFAOYSA-N 318.829 4.337 0 40 DIAB Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccncc2)cc1 411339 XGFFJJBZESENAD-UHFFFAOYSA-N 312.376 4.305 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)c(C)c1 570479 RQIGOBPPSKLBDE-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB [O-][N+]1=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 1561995 OSAUDCINISZLBG-PZJWPPBQSA-N 315.372 4.456 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccnc2cc(F)ccc12 1591909 OTKWDNCXANVGKB-AWEZNQCLSA-N 303.425 4.296 0 40 DIAB COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 3431909 UDNAQGWKNBHHBG-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccn[nH]1 4002798 MCZMSSSDSPOYGI-LURJTMIESA-N 307.728 4.330 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 4330998 DRZMQNIVSMNINM-UHFFFAOYSA-N 324.405 4.368 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 4331002 YHMWVOZXVWFADP-UHFFFAOYSA-N 324.405 4.368 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CO5)[C@@H]1CC[C@@H]2O 4921419 YCSDPVROPBHVSJ-GWLLLGGASA-N 304.474 4.159 0 40 DIAB CCCCOc1ccc(C(=O)NCC(C)C)cc1OCCCC 5420708 GVYORUMFVSPWTG-UHFFFAOYSA-N 321.461 4.430 0 40 DIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 5863084 UOAOJMHVMDSHLN-LLVKDONJSA-N 323.849 4.237 0 40 DIAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)C1CCC1 6639266 JYCUBUURKYVFDS-UHFFFAOYSA-N 317.429 4.215 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2[C@@H]2CCCC[C@H]2C)cc1 6680157 CHCRBWOCGQHFCL-BXUZGUMPSA-N 303.431 4.367 0 40 DIAB CC(C)c1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1 6754577 BWMLJYMXLHHBOI-UHFFFAOYSA-N 306.365 4.361 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccccc1 6938771 IFXYKLWQUWTLEG-INIZCTEOSA-N 300.427 4.133 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Cl 13709614 SAJQWYXIUIZNIM-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB Cc1ccc2cc3c(nc2c1)N(C(=O)c1ccccc1C)CC3 15841913 PWPYBNFTIPCCLH-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1cccnc1NC(=S)Nc1ccc(C(F)(F)F)cc1 17032246 YRMHIWYKKBPPFX-UHFFFAOYSA-N 311.332 4.218 0 40 DIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)C(C)C)n1 19690769 QCSULHPZEMNCCP-LJQANCHMSA-N 308.425 4.377 0 40 DIAB C[C@@H](NCc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 19872184 AIIOQSJZJUEIIZ-BDJLRTHQSA-N 310.224 4.205 0 40 DIAB CC(C)CNC(=O)C1(c2ccc(Br)cc2)CCCC1 24596989 WXBUVLWDGIBPPB-UHFFFAOYSA-N 324.262 4.033 0 40 DIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccc2[nH]ccc2c1 32105325 ATEWSTFTHJTMLZ-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB O=C(c1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F 36302290 PUKIGHLEJRDKIM-UHFFFAOYSA-N 306.617 4.267 0 40 DIAB COc1ccc(/C=C(\C)c2noc(-c3ccccc3O)n2)cc1 40309530 RMAYWRVTTBOATE-VAWYXSNFSA-N 308.337 4.011 0 40 DIAB biogenic CC(C)(c1ccccc1)c1ccc(OC2CNC2)c(Cl)c1 42769666 HBCAYGVHSUNICP-UHFFFAOYSA-N 301.817 4.017 0 40 DIAB O=C(Nc1ccccc1O)c1ccc(C2SCCS2)cc1 44891929 MQDMKNIKDBONTK-UHFFFAOYSA-N 317.435 4.123 0 40 DIAB O=C(CCSc1ccccc1)Nc1ccccc1OC(F)F 48264371 GKEAGKCLDCZNJO-UHFFFAOYSA-N 323.364 4.409 0 40 DIAB CCCCCC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 48342289 SVYYTXWWZQOMNC-QGZVFWFLSA-N 316.489 4.115 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 48374301 NBYKEYBTYQIATB-RHSMWYFYSA-N 314.454 4.221 0 40 DIAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 48388264 MECBNRSASLUZPL-MRVPVSSYSA-N 314.172 4.173 0 40 DIAB O=C(CCc1ccccc1)OCc1csc(-c2ccccc2)n1 57963272 UNERWJQOPWGIBK-UHFFFAOYSA-N 323.417 4.486 0 40 DIAB Cc1ccc(-c2cc(NC(=O)C(C)C)cc(C(=O)O)c2)c(F)c1 91252350 GFCULVPBOOVLHS-UHFFFAOYSA-N 315.344 4.094 0 40 DIAB C[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1csc(C2CC2)n1 96440215 SVVOUULIIFGKJY-ZOWXZIJZSA-N 319.474 4.056 0 40 DIAB CC(C)Cc1ncc(CN[C@@H]2c3ccccc3C[C@H]2C)s1 97020288 VXBVVYIZJQXZAU-ACJLOTCBSA-N 300.471 4.365 0 40 DIAB C[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@@H]1CC[C@@H]2C1 104295403 FTJRACLRIHXNNT-XGYYKPKNSA-N 316.466 4.231 0 40 DIAB Cc1oc(-c2cccs2)nc1C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2 106861251 IOMWIJCQXSKOHB-SDDRHHMPSA-N 303.383 4.057 0 40 DIAB Cc1cccc2c(Br)cc(Br)nc12 164620259 KHBTVENUHXTYTQ-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)C2 195559860 GMTDNUUDMZFYMG-UQASEVPWSA-N 324.468 4.432 0 40 DIAB Nc1ccccc1Nc1nc2ccccc2n1Cc1ccccc1 218825981 RMZZDVRIZXSDCS-UHFFFAOYSA-N 314.392 4.410 0 40 DIAB CCOc1ccc(CNC(=S)Nc2ccc(C)c(C)c2)cc1 225429162 LPXNMKWMPVCMPS-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccccc2C)c1 225753932 NAPAXMCOHFLICD-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 524734660 ZMRZRSHVEVOXQG-GUYCJALGSA-N 322.412 4.472 0 40 DIAB CC1(C)C[C@H](NC(=O)c2cscc2-c2ccccc2)CCO1 558553672 SPEKTWSOPXULDB-CQSZACIVSA-N 315.438 4.103 0 40 DIAB O=C(CCc1ccccc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009113 VHVOKQCEPAJUBV-ROUUACIJSA-N 313.416 4.248 0 40 DIAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 532171 BGAZYAYMCLJPNI-UHFFFAOYSA-N 321.858 4.489 0 40 DIAB O=C1c2cc3c(cc2C[C@H]1Cc1ccc2c(c1)CCC2)CCC3 1645332 FYJNCYGUILDRIW-HXUWFJFHSA-N 302.417 4.262 0 40 DIAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 2732312 IDLPMESQCMCMED-UHFFFAOYSA-N 305.303 4.445 0 40 DIAB CSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1 4091932 YTESSBCNMNDZIN-UHFFFAOYSA-N 300.408 4.286 0 40 DIAB CCCCC(=O)Nc1nnc(CSCc2ccccc2)s1 4491917 GJECHTLMAKJQTE-UHFFFAOYSA-N 321.471 4.100 0 40 DIAB Cc1ccccc1[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543273 ZSAWYNDCMMBLEW-QLJPJBMISA-N 312.438 4.035 0 40 DIAB C[C@H]1CCc2cc(F)ccc2N1Cc1nnc(-c2ccccc2)o1 4734439 VGMLJFDQVCXSIF-ZDUSSCGKSA-N 323.371 4.217 0 40 DIAB CC[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 4942917 SAMMYIXARWNYFU-NSHDSACASA-N 314.212 4.114 0 40 DIAB CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 6226925 CFLDDFPXAMUQSR-JYRVWZFOSA-N 319.769 4.266 0 40 DIAB Cc1nc2ccc(NC(=S)N(C(C)C)C(C)C)cc2nc1C 6389843 YRLIQJKHKKBIKD-UHFFFAOYSA-N 316.474 4.062 0 40 DIAB O=C(NCCc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 7925218 QLRRIPVLTBQFKJ-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)s1 8393636 UKUDFJSUFSBCFD-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)cc1C 8493755 VBLZKIZZJDXODI-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@@H]1c1ccc(F)cc1 9095228 QKCKQHZWKQUQLG-GOSISDBHSA-N 323.371 4.272 0 40 DIAB Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)o2)cc1 9199201 UNCYLMOOMNVYEF-UHFFFAOYSA-N 314.385 4.400 0 40 DIAB COc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(C)c1 10165958 PDDFNQVVLGYAKZ-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB Cc1ccc(Cl)cc1NC(=S)Nc1ccc2c(c1)OCO2 13790656 PKJJZXHDYWPVOD-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 15744695 AAWCLXHUNAJJLM-HNNXBMFYSA-N 306.409 4.020 0 40 DIAB O=C(NC(C1CC1)C1CC1)c1cc(F)c(Cl)cc1Cl 22385443 XEBHENSULPXYLC-UHFFFAOYSA-N 302.176 4.051 0 40 DIAB O=C(NCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 30987256 WVHIXQDAOHUXIY-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2c1C 32277758 MHHYEKCRCADZPY-IBGZPJMESA-N 319.408 4.157 0 40 DIAB Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 32930431 WPDQEPPNSHKGNZ-ZDUSSCGKSA-N 319.351 4.016 0 40 DIAB CN(C(=O)Nc1ccccc1OC(F)F)C1CCCCCC1 40103191 JOZOOKSFASMBMN-UHFFFAOYSA-N 312.360 4.475 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)N(C)CC2CCCCC2)c1 44105093 ALXXAWFFPHKLRN-UHFFFAOYSA-N 317.433 4.079 0 40 DIAB CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1 46455010 KDDULGZOTFTGSJ-UHFFFAOYSA-N 311.772 4.007 0 40 DIAB O=C(Nc1ccccc1F)c1cc(-c2ccccc2Cl)[nH]n1 46729182 HESVSOGVPPMCHR-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)CCc1ccccc1 51999041 MLKZJEVWELDAIB-CYBMUJFWSA-N 313.426 4.034 0 40 DIAB COc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1Cl 57996645 YDKKFHQVWKMJKH-UHFFFAOYSA-N 310.825 4.391 0 40 DIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 58655284 KDPQTPZDVJHMET-JPLJXNOCSA-N 312.409 4.037 0 40 DIAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1CC(C)C 72219284 FSIJZPGHWNTXAP-GOSISDBHSA-N 301.478 4.173 0 40 DIAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1scnc1C1CC1 89658590 CZFCIESMVONMKK-SECBINFHSA-N 322.380 4.132 0 40 DIAB COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 91695580 OSSFTDBTWQCZMV-UHFFFAOYSA-N 315.678 4.207 0 40 DIAB CCOC(=O)[C@@H]1CCCc2sc(-c3ccc(C)cc3)nc21 96003824 BGNKIBLLZDNNKW-CYBMUJFWSA-N 301.411 4.102 0 40 DIAB CCCc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 100615492 ARWCGBWPMLMNKK-UHFFFAOYSA-N 301.777 4.016 0 40 DIAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@H](O)C[C@H]4[C@@H]3CC[C@@H]2C1 118926298 GTOPOWFQBKMBIX-SSADKFRXSA-N 306.490 4.405 0 40 DIAB Nc1cc(C(=O)O)ccc1NC(c1ccccc1)c1ccccc1 139137744 XUVWTZPYIQURBL-UHFFFAOYSA-N 318.376 4.169 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)cc1 222569932 SITJRGMYMVCCCH-GOSISDBHSA-N 311.425 4.122 0 40 DIAB Cc1ccc(C)c(CC(=O)NCc2cccc3ccccc23)c1 222870502 XBMICEICJXZKCL-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CC)OCC)cc1C 225686442 NOLMEUQUGDYKOS-GOSISDBHSA-N 307.434 4.236 0 40 DIAB Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=O)oc12 226034592 TZPUPWBWQWKVTH-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(OC(C)C)cc1 226763342 OZJFWFCHPFGKGF-UHFFFAOYSA-N 318.804 4.270 0 40 DIAB CC1=Nc2ccccc2[C@H](OCC(=O)Nc2cccc(C)c2)C1 227148586 OBZUFAASVABYBP-GOSISDBHSA-N 308.381 4.188 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(O)cc3)o2)cc1 409196416 UTXXLJUCUFOHOJ-UHFFFAOYSA-N 323.348 4.125 0 40 DIAB Cc1ccc(SCCC(=O)NCc2ccccc2Cl)cc1 382658 BGNDBJOYSGAITR-UHFFFAOYSA-N 319.857 4.447 0 40 DIAB Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1 1568017 PFAYJJZRASFRBB-UHFFFAOYSA-N 318.405 4.099 0 40 DIAB O=C(Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 2525102 DSCUBZCFWVJMGX-UHFFFAOYSA-N 305.255 4.272 0 40 DIAB CC(C)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3235615 YFZCQKCHCCBDMP-UHFFFAOYSA-N 317.429 4.262 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 3431906 UDNAQGWKNBHHBG-JTQLQIEISA-N 324.207 4.493 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN(C)C1CCCCC1 4264060 FCQJRYIQFHLBRG-SJLPKXTDSA-N 319.489 4.204 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3[C@@H]1CC=C(C)C[C@@H]1C 5954633 SSBXMBLMSWKYIH-OHNRDTAOSA-N 310.441 4.356 0 40 DIAB Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 6608411 HUSZVDZXOPGHOE-UHFFFAOYSA-N 314.816 4.494 0 40 DIAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccsc3)o2)cc1 7225965 FFVQUCNSMHYICA-LLVKDONJSA-N 314.366 4.025 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1 7401866 JEZPYTLQIBPKLN-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB Cc1noc(C)c1COc1ncnc2c(Cl)cc(Cl)cc12 7718622 MCHUUFUFIYDVHE-UHFFFAOYSA-N 324.167 4.120 0 40 DIAB CN(CC(=O)Nc1ccccc1F)Cc1ccc2ccccc2c1 8127529 TWZOWJZOQVSCIX-UHFFFAOYSA-N 322.383 4.049 0 40 DIAB CCC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C)c1ccccc1 9217984 NSKDBIAUYCFUDG-LPHOPBHVSA-N 310.441 4.453 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3nccs3)ccc2c1 9609415 AWBNBCOUBMMSEY-LLVKDONJSA-N 312.394 4.047 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc2ncsc2c1 11209499 LXZUEIIRZCIEMR-KRWDZBQOSA-N 308.406 4.177 0 40 DIAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1 11692495 YLIYGVKRAJATFU-IBGZPJMESA-N 324.424 4.257 0 40 DIAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cccc(O)c1 12818258 YNFUVNBVMWWFOS-UHFFFAOYSA-N 304.345 4.416 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCc2ccccc21 12911481 ORIGHEWNOXUKJT-INIZCTEOSA-N 320.219 4.340 0 40 DIAB Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12991782 ZMFWDNHZZTYOKL-UHFFFAOYSA-N 307.393 4.085 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2ccc(Cl)cc2)c1 13672698 UPVPAIYOFGUSPP-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB Cc1c(Cc2ccccc2Cl)c(O)nc2nc3ccccc3n12 18222253 MGRZZVXLPDADRZ-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB COc1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]2NCc2ccncc2C)cc1 19239539 UROATCKCVJSPEU-UWHLTILDSA-N 322.452 4.071 0 40 DIAB COc1ccc(CN2COc3cc(C)c(Cl)c(C)c3C2)cc1 19848816 LZUONURDZITUGY-UHFFFAOYSA-N 317.816 4.318 0 40 DIAB O=C(NC1CCCCC1)c1cccnc1Nc1cccc(F)c1 22072932 VNTXRGDPNDADBX-UHFFFAOYSA-N 313.376 4.027 0 40 DIAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 26637632 INMHLHXXMGDXDU-CQSZACIVSA-N 317.429 4.494 0 40 DIAB CC[C@@](C)(CCNC(=O)c1cccs1)c1ccccc1OC 26961866 RNKRRPIHCUOSEZ-SFHVURJKSA-N 317.454 4.245 0 40 DIAB Cc1ccc(F)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 28229854 IDEIBYQJPSTGJA-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB Cc1ccc(NCCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 32904111 ZCPVAKMZGYDZHK-LJQANCHMSA-N 308.425 4.161 0 40 DIAB CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 40105495 FLYTWDPDAULBSA-UHFFFAOYSA-N 304.340 4.061 0 40 DIAB CN(C)[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57945278 WPRWLNGREONOHC-OAHLLOKOSA-N 323.223 4.235 0 40 DIAB CCOc1cc(CN(C)Cc2ccccc2)ccc1OC(F)F 58754301 LFBZKNPRAREZBV-UHFFFAOYSA-N 321.367 4.319 0 40 DIAB CN(c1ccccc1)c1ccccc1C(=O)Nc1ccccc1O 60885081 UDGWQDYAFWFLAI-UHFFFAOYSA-N 318.376 4.412 0 40 DIAB COc1ccccc1CNC(=O)/C=C/c1cc2cc(C)ccc2o1 67339711 LOKBHOWHMKRUJJ-CSKARUKUSA-N 321.376 4.079 0 40 DIAB CC(=O)NCc1ccc(-c2nc(-c3ccoc3)sc2C)s1 69653810 NIWXCRBMXUGEEW-UHFFFAOYSA-N 318.423 4.076 0 40 DIAB O=C(O)CSc1cc(-c2ccccc2)nc2ccc(F)cc12 71279196 UMKIKDBAOSXMBD-UHFFFAOYSA-N 313.353 4.218 0 40 DIAB CC(C)C[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 71283528 JMAWOAJSYFEYEU-GFCCVEGCSA-N 305.422 4.193 0 40 DIAB c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCCC2)cc1 72216091 AANDTDZMPOIEJR-HXUWFJFHSA-N 321.468 4.409 0 40 DIAB Cc1cc([C@H](N)c2ccccc2)cnc1OCc1ccccc1 72222393 AACYJVSZMVLGCU-LJQANCHMSA-N 304.393 4.017 0 40 DIAB CSCc1cc(F)ccc1CN[C@@H](C)c1cnn(C(C)C)c1 95969168 ZSPDOSDVQDBVIC-ZDUSSCGKSA-N 321.465 4.317 0 40 DIAB CCOC(=O)/C(C)=C/CC/C(C)=C/COCc1ccccc1 210997199 YPSDXQYDNNXLFD-DQKQXWASSA-N 302.414 4.439 0 40 DIAB O=C(O)[C@H](Cc1ccc(F)cc1)Oc1cccc2ccccc12 225054769 NEQXJGIUTKAGPL-SFHVURJKSA-N 310.324 4.054 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(OC)c(Cl)c2)cc1 225536460 KMSFFNZDSZKALL-UHFFFAOYSA-N 303.789 4.092 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc2cc(C)ccc2oc1=O 226036372 MLMVBASXVPOURL-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB CCCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352047 MOIJUFSGJIDGDJ-UHFFFAOYSA-N 321.760 4.427 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H]2CCCN3CCCC[C@@H]23)C1 229915622 BMRXTFOKVYWSJF-CGBFIWBNSA-N 304.522 4.152 0 40 DIAB CC(C)CN1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257216062 CSYBCMGZNZLOST-MRXNPFEDSA-N 316.420 4.240 0 40 DIAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccccc2)o1 194263 QCZKOIYGBDFYPI-UHFFFAOYSA-N 324.723 4.163 0 40 DIAB CCCc1nnc(NC(=O)c2oc3ccc(C)cc3c2C)s1 352994 WUKDWZPHPSJMPU-UHFFFAOYSA-N 315.398 4.106 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 365137 FZFKKTLJUQWGCU-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CCc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 365327 XQMHUHRNKNAZJU-UHFFFAOYSA-N 317.454 4.347 0 40 DIAB Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(Cc1ccoc1)CC3 1565944 RDALYHSEPOUIRE-HMXCVIKNSA-N 323.436 4.244 0 40 DIAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 3191643 WVJIXLNZIMOQCA-SUMWQHHRSA-N 307.397 4.080 0 40 DIAB COc1ccc(C(=O)CC(=O)c2ccc3ccccc3c2O)cc1 3984263 JRHSIUOBVWRNOS-UHFFFAOYSA-N 320.344 4.010 0 40 DIAB biogenic CCC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 4564098 FVOLRQZKKNCIGS-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB CC1(C)C[C@@H](NCC[C@H](c2ccccc2)c2ccco2)CCO1 4834886 MTBSKVFOKRVVFD-ZWKOTPCHSA-N 313.441 4.349 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1Cl 5403248 VKGNDJNXZHQRAO-CSKARUKUSA-N 301.773 4.309 0 40 DIAB CC1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 5416746 OQAIDQQJBZUBFX-UHFFFAOYSA-N 307.437 4.344 0 40 DIAB CCOc1cc(C=O)cc(Cl)c1OCc1cccc(C)c1 5651995 VRFDAWSQCQNXFE-UHFFFAOYSA-N 304.773 4.439 0 40 DIAB Cc1cccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)c1 5730699 GGEFTKHXYAXEGY-LDADJPATSA-N 305.377 4.463 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1C(F)(F)F 6201949 BRXGGTFMHGBPSD-CYBMUJFWSA-N 321.342 4.457 0 40 DIAB COc1ccc(C)cc1NC(=O)CSCc1ccc(F)cc1 7146541 KVUQKTFXPRVSAY-UHFFFAOYSA-N 319.401 4.015 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 7382852 NECJJNGEPKCMRJ-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB COc1ccc(-c2nnc(-c3cc4ccccc4[nH]3)s2)cc1 8209029 UOZXUJMQZRNRSC-UHFFFAOYSA-N 307.378 4.362 0 40 DIAB Cc1csc(NC(=O)CCCc2nc3ccccc3s2)n1 12988290 KYWRAMUUBOBTAV-UHFFFAOYSA-N 317.439 4.023 0 40 DIAB Cc1ccc(-c2nnc(SCc3c(C)noc3C)o2)cc1C 13137678 WABRXGYKDZTEKW-UHFFFAOYSA-N 315.398 4.251 0 40 DIAB CSCc1c(C(=O)Nc2nc(C)cs2)oc2ccccc12 15007150 GBCOBEOMSRPDJZ-UHFFFAOYSA-N 318.423 4.313 0 40 DIAB FC(F)(F)Oc1ccc(Br)cc1C(F)(F)F 15442367 DTCUJNHGVFXHIE-UHFFFAOYSA-N 309.003 4.367 0 40 DIAB Clc1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 19336270 PEGLNXLVCZXCRE-LRMKFPBYSA-N 319.876 4.238 0 40 DIAB CCC(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691449 AFUBNNORWLTZBW-SFHVURJKSA-N 312.388 4.270 0 40 DIAB CC(C)CC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412123 FFZKVUKFJZOXPZ-UHFFFAOYSA-N 303.402 4.161 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20492916 PURMRBQUMGDJFT-INIZCTEOSA-N 311.425 4.202 0 40 DIAB CCCCCC(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 20609941 FBTWAOXFQWPUST-UHFFFAOYSA-N 322.412 4.248 0 40 DIAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(OC)cc1 21837030 YXLYJCKYRVXDRR-QGZVFWFLSA-N 317.816 4.159 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22538086 OAKKUHJHDSNNJO-MRXNPFEDSA-N 311.425 4.420 0 40 DIAB Cc1ccc(-c2nc(C(=O)N3CCCc4ccccc43)cs2)o1 32922696 JYSRYYXHOWZTQL-UHFFFAOYSA-N 324.405 4.305 0 40 DIAB O=C(Nc1cccnc1Oc1ccccc1)c1cccc(F)c1 40087989 HYHMSLMLGJWJMA-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB NNc1nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2s1 40542409 VNKCYRDKOBQQNX-UHFFFAOYSA-N 316.773 4.044 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)cc1F 44850287 DIJFHINAGWAXDZ-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB CC(C)c1noc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)n1 46820012 QSGFMISEJMGLGZ-JTQLQIEISA-N 312.373 4.385 0 40 DIAB Cc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1C 74978201 SEJLMZMEWVVOJK-UHFFFAOYSA-N 314.776 4.179 0 40 DIAB Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)n1 75969985 NGFZVSAFKVUUQM-GHMZBOCLSA-N 323.487 4.251 0 40 DIAB O=C(Nc1c(F)cccc1F)N(CCc1cccs1)C1CC1 77171975 YGTBCHPVSLVSKA-UHFFFAOYSA-N 322.380 4.265 0 40 DIAB Cc1ccnc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 79440816 UYKZTQKWIKXDMV-CQSZACIVSA-N 322.474 4.272 0 40 DIAB CCCNc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCO1 95418972 HSFDRXFSJAGUJJ-ZDUSSCGKSA-N 310.825 4.060 0 40 DIAB Cc1ccsc1C[C@H]1C(=O)Nc2ccc(Br)cc21 101014641 VHNUOMMKZJHRGA-LLVKDONJSA-N 322.227 4.097 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2C)cc1C 223316837 LEVAGFBVWSDBAF-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB CCCOC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 225422846 WNZAQSNVXMIGDY-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CCOc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cc1 225960274 WFUZESBDKFHVDJ-UHFFFAOYSA-N 313.422 4.349 0 40 DIAB COC(=O)c1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1 226028028 KXBGFFRVNSFJJZ-UHFFFAOYSA-N 323.367 4.053 0 40 DIAB c1ccc2cc(OCCN3CCCC[C@@H]3c3cn[nH]c3)ccc2c1 512297595 ZDZOWZRZDFDMMK-HXUWFJFHSA-N 321.424 4.169 0 40 DIAB F[C@H]1C[C@@H](F)[C@@H](F)[C@@H](c2ccc(Br)cc2)[C@H]1F 1776011035 SPARLCDBTJUDDP-ZGIVBDMPSA-N 311.116 4.289 0 40 DIAB CCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 188380 BFILLQNBGFZRBP-UHFFFAOYSA-N 312.394 4.120 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 240445 LTGNAGPYTNVXMD-UHFFFAOYSA-N 308.425 4.484 0 40 DIAB COc1cccc(OC)c1OC(=O)Nc1cccc(SC)c1 400411 ZXTAURGERCTUGL-UHFFFAOYSA-N 319.382 4.037 0 40 DIAB CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1 482490 MKEXQWZOWQXPBG-UHFFFAOYSA-N 317.772 4.046 0 40 DIAB COC(=O)CCCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 1855627 YFRPNPMAVUXPII-UHFFFAOYSA-N 320.432 4.066 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)C[C@H](C)CC3 2438569 UJAVOTVBBMESEH-SECBINFHSA-N 324.409 4.032 0 40 DIAB COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1Cl 2653850 OTOVITBFBDWVBK-LBPRGKRZSA-N 303.789 4.481 0 40 DIAB CC(C)(C)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1 2725727 MATWDAHCOJJYMS-UHFFFAOYSA-N 318.486 4.451 0 40 DIAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(F)cc2)cc1 2729621 GDTZBONKVKGENM-MDWZMJQESA-N 311.400 4.453 0 40 DIAB CCC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OC 2889592 LQUSYFKMRJDHFT-UHFFFAOYSA-N 317.410 4.167 0 40 DIAB C[C@@H](Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3326503 RTGQPBZSSRRZQP-SNVBAGLBSA-N 309.196 4.433 0 40 DIAB OC1=N[C@H](c2ccncc2)Nc2scc(-c3ccccc3)c21 4125410 CYLVYCGBCLSTRC-HNNXBMFYSA-N 307.378 4.239 0 40 DIAB O=C(Nc1cccc2nsnc12)c1cccc2ccccc12 4130278 ZEKIPQBTLDJPRE-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB CN(C)CC[C@@H](OC(=O)c1ccccc1Cl)c1ccccc1 5573054 WZIRHCGFFJKUGV-QGZVFWFLSA-N 317.816 4.190 0 40 DIAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 8415064 XZZABQYNKISPBA-UHFFFAOYSA-N 314.392 4.438 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1 8499032 ATZGDTPAYACGFM-CQSZACIVSA-N 319.788 4.145 0 40 DIAB C[C@@H](CC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1 11506149 MIIQXRBCWIFKGW-ZDUSSCGKSA-N 319.351 4.098 0 40 DIAB Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C3CC3)cc12 13227672 MLGYGODYANPVTC-UHFFFAOYSA-N 316.404 4.214 0 40 DIAB CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1 14137746 YTCNAMGYKBPZGM-UHFFFAOYSA-N 315.373 4.099 0 40 DIAB CC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 17066501 BWVSOBQDKKGKSR-GOSISDBHSA-N 324.449 4.253 0 40 DIAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)cc1 17841531 NMAWZERDLSNWJK-SFHVURJKSA-N 311.425 4.258 0 40 DIAB CCCc1ccccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 24502907 UISCJVMKELELPF-UHFFFAOYSA-N 322.408 4.240 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(C)c(F)c3)c2)n1 31802254 NWPJQPACRCVAPP-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB O=C(Nc1ccccc1F)c1csc(Cc2ccccc2)n1 32645797 CGSNKFPQRITLAR-UHFFFAOYSA-N 312.369 4.125 0 40 DIAB CSc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1 32736312 VLGKASTVLCBNKP-UHFFFAOYSA-N 310.422 4.162 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1cc(Cl)ccc1Cl 43209803 OARMPYWXMFXILX-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 56172627 ZGSDRYIVDTUBGX-UHFFFAOYSA-N 324.424 4.084 0 40 DIAB Cc1cc(N)c2nc(Nc3nc4cccc(C)c4o3)sc2c1 57352551 HXIRTVBJBBVAJA-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB Cc1nc2ccccc2n1CCCNc1nc2ccccc2s1 60846855 DJZRCCGJTHQCHN-UHFFFAOYSA-N 322.437 4.457 0 40 DIAB CN(C(=O)C1(c2cccs2)CCCCC1)c1nccs1 78064862 URWUZCBCMZYXIM-UHFFFAOYSA-N 306.456 4.070 0 40 DIAB CC[C@@H](NCc1cscn1)c1ccccc1Br 89947913 RBNWVQOIXFKIMQ-CYBMUJFWSA-N 311.248 4.147 0 40 DIAB CC[C@@H](c1ccccc1)S(=O)(=O)Cc1cc(C)ccc1C 95962036 ULKIFAVRRFTGIR-SFHVURJKSA-N 302.439 4.370 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2NCc2nccs2)cc1 95972382 BXVUSJBDWNRMJD-UHFFFAOYSA-N 323.421 4.316 0 40 DIAB CCCCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 196451593 SZABHIWVVZRYJI-CQSZACIVSA-N 315.454 4.495 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC1CCCCCCC1 216278192 DJRJAVUYMJZERF-SFHVURJKSA-N 303.446 4.382 0 40 DIAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1Cl 223617358 JLGDQEGZINOVBH-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H](C)c1ccccc1 224434020 SZBUTVMNDXTTDI-SJLPKXTDSA-N 311.425 4.072 0 40 DIAB Cc1ccc(CNC(=S)Nc2ccc3sncc3c2)cc1 225172109 FXRXYVWLZHCTDD-UHFFFAOYSA-N 313.451 4.091 0 40 DIAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCC1 225707606 CZTCEDYGLKECRO-OAHLLOKOSA-N 319.445 4.460 0 40 DIAB Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 61459 ZEUWOEOSPTXNOS-LBPRGKRZSA-N 324.449 4.189 0 40 DIAB Cc1ccc(OCC(=O)Oc2ccc(Cl)cc2C)cc1C 122569 ZCQGVVYVSUWATN-UHFFFAOYSA-N 304.773 4.250 0 40 DIAB COc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 385298 UGTWMVRVWPEERZ-UHFFFAOYSA-N 320.270 4.431 0 40 DIAB CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 453825 HXSNKRPMKUEKKO-BUHFOSPRSA-N 318.376 4.116 0 40 DIAB O=C(O)/C(=C\c1ccccc1Br)c1ccccc1 478150 AECKGOZZLFYZDE-RAXLEYEMSA-N 303.155 4.074 0 40 DIAB CC1(c2ccc3noc(-c4ccc(Cl)cc4)c3c2)OCCO1 499793 DJGGVIODFWWDEC-UHFFFAOYSA-N 315.756 4.368 0 40 DIAB Cc1ccc(-c2nnc3sc(-c4ccccc4C)nn23)cc1 533316 NPZABHSHHYBBIT-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB COc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1 1094942 GNHORWXCLZZWFH-UHFFFAOYSA-N 319.408 4.296 0 40 DIAB CC(=O)Oc1ccc(NC(=O)c2ccccc2)c2ccccc12 1698938 DGJPZUJTZVLGBU-UHFFFAOYSA-N 305.333 4.017 0 40 DIAB O=C(COC(=O)c1ccccc1Cl)c1cc2ccccc2o1 3249064 XYLGUQUHBHEXHJ-UHFFFAOYSA-N 314.724 4.126 0 40 DIAB O=C(Nc1ccc(F)cc1)[C@H](NC1CCCC1)c1ccccc1 3330406 CWNSKOREBJHEAL-GOSISDBHSA-N 312.388 4.038 0 40 DIAB CC(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1 3406158 QKPBCZWCLFBBHX-UHFFFAOYSA-N 318.376 4.093 0 40 DIAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1 3536900 GEFABWBREMEFRN-LJQANCHMSA-N 308.425 4.161 0 40 DIAB Cc1c(-c2cccc(NC(=O)CC(C)(C)C)c2)nc2ncccn12 4033177 KXBRFCTXHCNNNS-UHFFFAOYSA-N 322.412 4.079 0 40 DIAB CCN(CC)c1ccc(NC(=O)CCCc2ccccc2)cc1 4661204 WOERLOASNVTHSS-UHFFFAOYSA-N 310.441 4.494 0 40 DIAB CC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1 4667306 GNRSEZXNVULHOY-OAQYLSRUSA-N 319.448 4.372 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1ccc(Cl)cc1 5328229 VOLTZPOVAKCPOT-MZFDCTSESA-N 309.752 4.350 0 40 DIAB Cc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1 5927849 AXZWIWCFSIGMSJ-UHFFFAOYSA-N 322.393 4.214 0 40 DIAB c1ccc([C@H](CN2CCCCC2)OCc2cccs2)cc1 6582094 QWEQTGGAXPDBJB-SFHVURJKSA-N 301.455 4.492 0 40 DIAB CCc1ccc2c(CC(=O)Nc3ccc(C(C)=O)cc3)coc2c1 7007521 PDXNEBHMWAADQY-UHFFFAOYSA-N 321.376 4.379 0 40 DIAB O=C(O)c1sc2cccc(F)c2c1COc1ccccc1 8939703 DEPBHAFMNBOKGD-UHFFFAOYSA-N 302.326 4.318 0 40 DIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 11565699 MERQMAIZKXALFF-SJORKVTESA-N 323.392 4.183 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)cc(C)c1 11636896 MLDWQVYRBFRRQT-GOSISDBHSA-N 313.397 4.108 0 40 DIAB CCN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 16681432 IZPUEHWIMXNVHA-DHDCSXOGSA-N 319.426 4.183 0 40 DIAB Cc1ccsc1-c1nn2c(-c3sccc3C)nnc2s1 20721596 QXLGIAGUIRJOFO-UHFFFAOYSA-N 318.452 4.260 0 40 DIAB Cc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 27655723 OHGXYZSTKMBCFS-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)s1 28303945 XQCYCNNPLASKMW-AWEZNQCLSA-N 310.422 4.338 0 40 DIAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1cccc(Cl)c1 32913900 FDHHURJGBJIKJB-KBPBESRZSA-N 317.816 4.123 0 40 DIAB O=C(/C=C/c1cccc(Cl)c1Cl)NC(C1CC1)C1CC1 40039664 RRQQUAGLOUCLHP-CMDGGOBGSA-N 310.224 4.311 0 40 DIAB O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@H]1CC=CCC1 40156302 VJCQGLUGVSPRQL-INIZCTEOSA-N 321.424 4.181 0 40 DIAB Cc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 44900006 GIYWEXRFUGISIG-UHFFFAOYSA-N 301.817 4.240 0 40 DIAB O=C(NC1CCCCC1)c1cccnc1SC1CCCC1 54800216 VZYPMBUXBCXNCJ-UHFFFAOYSA-N 304.459 4.179 0 40 DIAB Cc1cccc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)c1 58203143 SVJFSOSPTGSALT-NRFANRHFSA-N 312.356 4.463 0 40 DIAB c1ccc(-c2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 59461404 IOARKWYSGUSXCP-UHFFFAOYSA-N 314.348 4.122 0 40 DIAB CCCNc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72213162 ORJFPMQOBSOSOH-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCCCC1 89768275 NCLYCCUTRBSDDQ-UHFFFAOYSA-N 316.788 4.153 0 40 DIAB CCC[C@@H](CC1(C(=O)O)CCCC1)C(=O)OCc1ccccc1 96179493 PQKUDTSQPVEIQW-INIZCTEOSA-N 318.413 4.181 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)cc2)oc1C 103750619 SZBTYOOCXCFRFQ-JLJPHGGASA-N 308.381 4.109 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 113960833 FTSYTDCLNHKBGW-CABCVRRESA-N 315.388 4.087 0 40 DIAB COc1ccc(CCC(=O)Nc2ccccc2SC)cc1C 222660966 XSDFLUOSZIJUEZ-UHFFFAOYSA-N 315.438 4.297 0 40 DIAB CCN(c1ccccc1Sc1ccccc1)[C@@H](C)C(=O)O 225004371 NKJRBQNGBBZVIQ-ZDUSSCGKSA-N 301.411 4.137 0 40 DIAB COc1ccc(NC(=S)NC(C(C)C)C(C)C)cc1Cl 225326782 DKEPIEQNYPRNFY-UHFFFAOYSA-N 314.882 4.316 0 40 DIAB Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1C 225546169 WOFKAWIKXJBWLZ-UHFFFAOYSA-N 316.445 4.362 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225722501 VYGYJKAIDQHWJL-LJQANCHMSA-N 317.429 4.152 0 40 DIAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 225931025 LYQYISONVVUVIP-UHFFFAOYSA-N 324.424 4.319 0 40 DIAB Clc1ccsc1CNc1ccc(Cn2ccnc2)cc1 252500430 SVOWGRPARNGSSD-UHFFFAOYSA-N 303.818 4.258 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@H]4CO 253390322 XAFFBHRHOULDSM-GEINJRJHSA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccncc3)nc3ccccc23)C1 520954 RZOQKTWQEPZBEZ-HUUCEWRRSA-N 318.424 4.174 0 40 DIAB CCN(CC)c1ccc(Nc2c(F)c(F)nc(F)c2F)cc1 551572 ZGZSIZQFKGBEDB-UHFFFAOYSA-N 313.298 4.228 0 40 DIAB COc1ccccc1N1CCc2c(C)nc3c(OC)cccc3c21 1482603 ZVCLXPNROWCWPR-UHFFFAOYSA-N 320.392 4.255 0 40 DIAB Cc1ccc(C)c(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 2069670 OMEKAXKZXCAWJN-UHFFFAOYSA-N 318.438 4.369 0 40 DIAB CCN(CC)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 3459999 DDJXJMINBHIBBL-FQEVSTJZSA-N 322.452 4.340 0 40 DIAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2ccccc2c1 4089181 RWHHZNGGEAIUER-UHFFFAOYSA-N 320.417 4.275 0 40 DIAB CC(=O)CC(=O)CCCCCCCCCCCC(=O)CC(C)=O 4878220 ALQPVQWOABCQBN-UHFFFAOYSA-N 324.461 4.374 0 40 DIAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1ccccc1-c1ccccc1 5507430 RYWXPAPEGXQSMO-AWEZNQCLSA-N 323.392 4.024 0 40 DIAB Clc1ccc([C@H]2C[C@H](c3cccs3)Nc3ncnn32)cc1 5897005 WRZDVQCCPIAANP-CHWSQXEVSA-N 316.817 4.139 0 40 DIAB CCCCCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 5973241 YOCFAWSYGSKHED-SFHVURJKSA-N 303.446 4.337 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 6152347 OGYXYWONZCNFQR-JTQLQIEISA-N 310.180 4.399 0 40 DIAB Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)c(Cl)c1 7403950 LIDVZKIZLQWEOE-MDZDMXLPSA-N 307.802 4.061 0 40 DIAB CC(=O)c1ccccc1NC(=O)CNc1cccc2ccccc12 7955421 TYHIOQQAQXUTLT-UHFFFAOYSA-N 318.376 4.093 0 40 DIAB O=C(CSc1ncnc2ccccc12)c1ccc2c(c1)CCC2 8188662 JPZOIAOGDZEUHW-UHFFFAOYSA-N 320.417 4.094 0 40 DIAB CCc1ccc(CCC(=O)NCc2ccccc2Cl)cc1 10369556 VFLITBKGMYSCTP-UHFFFAOYSA-N 301.817 4.151 0 40 DIAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(Cl)c1 12861538 CUSTYKMZFMNXNP-CYBMUJFWSA-N 315.800 4.180 0 40 DIAB C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 12909040 JKPKACYVQXCYTL-ZDUSSCGKSA-N 313.351 4.001 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CCCc2ccccc21 13017957 JMPUDDNWSXDKFL-VQTJNVASSA-N 305.421 4.374 0 40 DIAB O=C(CCSc1ccc(Cl)cc1)N1CCc2ccccc21 13596223 ABRRRLADCZLYRL-UHFFFAOYSA-N 317.841 4.412 0 40 DIAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2)cc(C)c1Cl 14396152 VKIYFPXNLKCNBE-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC1CCC(NC(=O)Cc2csc(-c3ccsc3)n2)CC1 19358201 GETOBFSPEVUSHT-UHFFFAOYSA-N 320.483 4.109 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 20492569 SUGPDXFJUGFOHO-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc2ccccc2[nH]1 31076429 UKMJQMCDMHFXHX-UHFFFAOYSA-N 320.270 4.319 0 40 DIAB Cc1ccccc1Nc1nnc(Nc2ccc(F)cc2)s1 32934977 SHVHEQAVTAAIBH-UHFFFAOYSA-N 300.362 4.473 0 40 DIAB Nc1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 36737704 QESIYQZNOVPVFF-UHFFFAOYSA-N 304.821 4.077 0 40 DIAB CCCCCC(=O)c1ccc(I)cc1 36941421 KEILKZSAIXATSK-UHFFFAOYSA-N 302.155 4.054 0 40 DIAB CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccc2F)s1 40150611 AAKOOKVNTBVIRF-SNVBAGLBSA-N 322.409 4.026 0 40 DIAB O=C(c1ccc2c(c1)CCC2)N1CCCCC[C@@H]1c1ccncc1 49764678 DBFXORPHWPATGE-HXUWFJFHSA-N 320.436 4.328 0 40 DIAB CCn1nc(C)c2ncnc(N[C@H](C)c3ccc(C(C)C)cc3)c21 57280198 YNACCSBNZTYPKJ-CYBMUJFWSA-N 323.444 4.451 0 40 DIAB CCN(c1ccc(C(=O)N(CC)[C@@H](C)C(C)C)cc1)C(C)C 60302654 ZBSOQOAWTZPMBY-INIZCTEOSA-N 304.478 4.428 0 40 DIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccnc2ccccc12 61720531 SSGNNEGWEPCJDN-DHDCSXOGSA-N 306.752 4.381 0 40 DIAB Cc1ccc(Cl)cc1N1N=C(C(=O)O)C[C@@H]1c1ccccc1 71979018 TYIXCBQLDDAIFT-MRXNPFEDSA-N 314.772 4.040 0 40 DIAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 72333093 DVUVOAKMPNVVAS-QZTJIDSGSA-N 322.387 4.180 0 40 DIAB CCc1cc(N)cc2nc(-c3cccc(Br)c3)oc12 73642593 ZYMSQMFYDVSZKT-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB CC(C)c1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2)cc1 75572789 SXBSVZITHPAAAI-INIZCTEOSA-N 310.441 4.317 0 40 DIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1cc(Cl)ccc1Cl 95095988 PWBYXZZAWFUOFM-GMSGAONNSA-N 301.091 4.012 0 40 DIAB Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1 95427187 VNZQYYIHLHTNMY-UHFFFAOYSA-N 312.369 4.024 0 40 DIAB COc1ccc(-c2coc3cc(OCC4CC4)ccc3c2=O)cc1 95457394 NPQQWPOHUJKHKA-UHFFFAOYSA-N 322.360 4.257 0 40 DIAB C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3 95914579 WUENWZUJMIZJPA-UBTCDGAASA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro Cc1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)sn1 96452816 BIIXITGFJHAEBX-GFCCVEGCSA-N 305.403 4.194 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2C(=O)O 118924814 QKXFBVMFKBSRTD-MJSGPKJZSA-N 318.457 4.011 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)cc1C 219491203 UTTAACJOPCOGJQ-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COC 224683374 MBLGRWFBJXYOQK-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1 225706056 RTOPRVWFDMURRY-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB CCN(C(=O)c1cc(N)c(Cl)cc1Cl)c1ccccc1 226302484 JKFITEHDCSJUMB-UHFFFAOYSA-N 309.196 4.242 0 40 DIAB Cc1ccncc1NC(=O)CSc1ccc2ccccc2c1 517082348 YPTIYCJBOMTJHA-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB CCc1nc2ccccc2c(N2CCC(c3ncc[nH]3)CC2)c1C 554515018 PCKMPCMBGTUDSD-UHFFFAOYSA-N 320.440 4.213 0 40 DIAB Cc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1 1018220 JTRSXTYSZVYXIO-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB CCCCOc1ccc2c(C)cc(=O)oc2c1OCCCC 1805703 FBBRMRALYRERAV-UHFFFAOYSA-N 304.386 4.459 0 40 DIAB CCOc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2618078 GXPWFWDNTHKRQN-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CC(C)(C)C1CCC(OC(=O)c2ccc3c(c2)OCO3)CC1 3287622 AWUGRWARLJMNPS-UHFFFAOYSA-N 304.386 4.177 0 40 DIAB CC(C)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148151 YYKMFJNCGRXISJ-UHFFFAOYSA-N 322.364 4.280 0 40 DIAB C[C@H]1CN(C[C@@H]2CCCCCCCCCCC2=O)C[C@H](C)O1 5328329 KSYWAODCCAPCLX-BZSNNMDCSA-N 309.494 4.196 0 40 DIAB CC(C)/N=C1\S/C(=C/c2cccc(Cl)c2)C(=O)N1C(C)C 6325005 CJYIVYSLKJGHMR-WZMAMLOKSA-N 322.861 4.429 0 40 DIAB COc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1 6478579 HGOGISGTNWQQKX-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB CC(C)(C)NC(=O)CCCSc1nc2ccccc2s1 6615169 FGVBGJFCAVCNHQ-UHFFFAOYSA-N 308.472 4.083 0 40 DIAB CCCCCc1nn2cc(-c3cccc(OC)c3)nc2s1 6748235 JLWTWSODZUQQLS-UHFFFAOYSA-N 301.415 4.199 0 40 DIAB Cc1ccc(-c2cc(O)n(-c3nc4ccccc4s3)n2)cc1 8559625 WKPYKBWBSIHFTB-UHFFFAOYSA-N 307.378 4.163 0 40 DIAB O=C(O)CCCSc1ccccc1NC(=O)C1CCCCC1 8732962 QSDOPGLWGBRRQX-UHFFFAOYSA-N 321.442 4.162 0 40 DIAB O=C(/C=C/c1cccs1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9059887 BZQKMMTZCDREIR-SCOAYWHSSA-N 323.421 4.001 0 40 DIAB CC(C)Oc1ccc(NC(=O)CSc2ccccc2)cc1 9584311 OXEUQSJGLAADRF-UHFFFAOYSA-N 301.411 4.205 0 40 DIAB CC[C@@H](C)[C@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 12743754 URHSHUWATLGRQD-KUHUBIRLSA-N 324.424 4.413 0 40 DIAB O=C(c1cc(F)cc(F)c1)N1CCCSc2ccccc21 12850007 DUQHCVFXXCWGLG-UHFFFAOYSA-N 305.349 4.107 0 40 DIAB C[C@H](NC(=O)Cc1ccccc1F)c1cccc2ccccc12 14602127 IAIDFIHAYOQREI-AWEZNQCLSA-N 307.368 4.399 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 14738626 PMXSBDJUZRGSRK-HNNXBMFYSA-N 311.425 4.304 0 40 DIAB C[C@@H]1CCc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 15304087 YMUJQKWNOTXOEE-CYBMUJFWSA-N 323.371 4.217 0 40 DIAB Fc1ccc(NC(=S)NCCSc2ccccc2)c(F)c1 18165608 BTDATLQARAWCRU-UHFFFAOYSA-N 324.421 4.044 0 40 DIAB CC(C)CC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 20158350 QBUQPHWUVPQIHK-UHFFFAOYSA-N 310.353 4.185 0 40 DIAB CCCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 20451528 KVIOFNGKDKJWER-IBGZPJMESA-N 309.409 4.283 0 40 DIAB CN(Cc1ccccc1NC(=O)c1ccccn1)C1CCCCC1 26492352 BTCNKPNYAWVSBN-UHFFFAOYSA-N 323.440 4.098 0 40 DIAB CC(C)CNC(=O)c1ccc(COc2cccc3ccccc23)o1 28576748 LXIUEWCWRHONLI-UHFFFAOYSA-N 323.392 4.398 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1Cl 38753905 VFLZHNGGFFYEFL-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB Cc1nc(C)c([C@H](C)NC(=O)c2sccc2C2CC2)s1 49377044 ZJEXVGAHMFDASK-VIFPVBQESA-N 306.456 4.190 0 40 DIAB C[C@@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890747 QOLXEOIKOMEGHY-BXKDBHETSA-N 310.357 4.054 0 40 DIAB O=[S@@](CCc1ccccc1)Cc1c(Cl)cccc1Cl 75467143 ZAXRTZFRKKMAFE-LJQANCHMSA-N 313.249 4.485 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccccc2C(F)(F)F)s1 82332524 RNFRCBPNEJYZMP-UHFFFAOYSA-N 300.305 4.031 0 40 DIAB O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1ccoc1 90612375 APNRBZJJGUFSHL-MRXNPFEDSA-N 315.438 4.269 0 40 DIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1cc(Cl)ccc1Cl 95095986 PWBYXZZAWFUOFM-OIBJUYFYSA-N 301.091 4.012 0 40 DIAB Cc1nnc(SCc2nccs2)n1[C@H]1CCC[C@@H](C)C1 95442209 BFMXPDQAOFJSQE-PWSUYJOCSA-N 308.476 4.087 0 40 DIAB C[C@@H](Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)nc1 95940748 UBVVQNVTOPIUFP-CYBMUJFWSA-N 312.804 4.153 0 40 DIAB CCC[C@@H](N[C@H](C)c1ccc(CC)o1)c1nnc2ccccn12 96477176 VPMCJLLFMSMYMH-UKRRQHHQSA-N 312.417 4.077 0 40 DIAB Brc1ccc(C2OCC3(CO2)C[C@H]2C=C[C@H]3C2)cc1 100217113 ZOJDOLXPTOICHP-OXELBQPXSA-N 321.214 4.077 0 40 DIAB C[C@@H](NC(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102181409 PKTSXEJRWIXWOK-MPXAEWJHSA-N 322.246 4.004 0 40 DIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CN 122078786 SNWGRADGFKNELG-DTMQFJJTSA-N 305.506 4.109 0 40 DIAB Cc1cccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)c1 225018692 FZEPYGFGHRVTCA-IBGZPJMESA-N 306.361 4.223 0 40 DIAB CC(C)CO[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111384 PWKXAVCTICDMEK-SFHVURJKSA-N 314.381 4.147 0 40 DIAB C[C@H](O)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 226274231 MGVJFUFSISMSKK-VIFPVBQESA-N 310.180 4.299 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616391 JXZRGYKHCKLWAV-HIFRSBDPSA-N 319.445 4.431 0 40 DIAB CC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260622367 SYTSKBQJFRYFAR-RISCZKNCSA-N 309.837 4.384 0 40 DIAB CCCC1CCC(NC(=O)Nc2ccc3c(c2)CCO3)CC1 510768420 YBJOGVMXPHDGJO-UHFFFAOYSA-N 302.418 4.102 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N2CCc3ccccc32)ccc1Cl 36208 YTGVYIMPJLBUEH-CYBMUJFWSA-N 315.800 4.005 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccc(Br)cc1 311708 YPIJEEBSARUKGN-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB O=C(/C=C/c1ccccc1)OCc1cnc(-c2ccccc2)o1 973252 HMCVVHZNVKOBSH-VAWYXSNFSA-N 305.333 4.098 0 40 DIAB CCN(CC)Cc1c(C)nc2ccc(N(C)C)cc2c1Cl 1768034 LVHIXIPKVJNCBF-UHFFFAOYSA-N 305.853 4.104 0 40 DIAB Clc1ccccc1CSc1ncn(-c2ccccc2)n1 2124123 ABZJAHBBPRXARJ-UHFFFAOYSA-N 301.802 4.213 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 3157187 URWBHWGPKYNGKV-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB COc1ccccc1[C@H](C)Nc1ncnc2sc(C)c(C)c12 3363187 BGWDCOZIBRUXOE-NSHDSACASA-N 313.426 4.490 0 40 DIAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccccc1 3473905 COERGADWALWETG-UHFFFAOYSA-N 311.328 4.436 0 40 DIAB CC(=O)O[C@@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C)cc1 4934866 CKPYASAJCGEVHL-BJLQDIEVSA-N 315.457 4.111 0 40 DIAB O=C(c1ccccc1)[C@H]1CN(C2CCCC2)[C@H]1c1ccccc1 5412049 DYOADTOJACZXAL-PMACEKPBSA-N 305.421 4.485 0 40 DIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 6273652 WZYDBJIYVPPSKR-UHFFFAOYSA-N 324.424 4.086 0 40 DIAB Cc1ccc(-c2c(NC(=O)C(C)C)oc3ccccc3c2=O)cc1 6759554 QEDIDKBOXFEOTR-UHFFFAOYSA-N 321.376 4.363 0 40 DIAB COc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)ccc1C 8013218 OTHUVCSRYHHFBC-MRXNPFEDSA-N 303.427 4.192 0 40 DIAB CCOc1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 9816288 MXHGYHDZZCNILO-ZHACJKMWSA-N 301.773 4.391 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1 10812388 KQGDCHILHZKRRM-UHFFFAOYSA-N 318.214 4.193 0 40 DIAB CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12596040 WEINFWJIFOOGPV-LBPRGKRZSA-N 317.820 4.298 0 40 DIAB CN(Cc1cccc(F)c1)C(=O)CCCc1c[nH]c2ccccc12 12866978 LSMGDRSLSZCEEZ-UHFFFAOYSA-N 324.399 4.288 0 40 DIAB COc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1Cl 13571204 CJSSRAYNQNVFJE-UHFFFAOYSA-N 324.833 4.457 0 40 DIAB CC(=O)c1cccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)c1 15108340 VGXAHDZSPYTWMF-CQSZACIVSA-N 308.377 4.028 0 40 DIAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCCCCC1 15628347 KCNUHVDMSJYDPD-UHFFFAOYSA-N 320.845 4.480 0 40 DIAB Cc1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 16504008 QIQWBRYRQZYNHK-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB Cc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 17185952 XUVUJJCRUIMLAJ-LGMDPLHJSA-N 323.417 4.274 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(F)cccc1F 38755154 HDLJEELNTWLBBG-AWEZNQCLSA-N 305.324 4.069 0 40 DIAB CC(C)Oc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 43214498 WHNLCEQAZZZNHG-UHFFFAOYSA-N 320.429 4.226 0 40 DIAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 44259838 OQUKHXZXWHCETJ-BAQGIRSFSA-N 322.191 4.071 0 40 DIAB Fc1cc(Cl)ccc1NCc1nc(-c2ccccc2)no1 48215149 WVOLLWBRDMVEEV-UHFFFAOYSA-N 303.724 4.141 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1F 54296702 JJGMYMFKVNJLHP-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB C[C@@H](NC(=O)CSCCCc1ccccc1)c1ccccc1 57686146 ITIPFMUCQMJFNA-MRXNPFEDSA-N 313.466 4.230 0 40 DIAB CCCCC(=O)OCc1nc2cc(C(F)(F)F)ccc2o1 84742893 ZOXDBBXNOHTLNM-UHFFFAOYSA-N 301.264 4.080 0 40 DIAB C[C@H]1CCc2ccccc2[C@@H]1Nc1nccc(C(F)(F)F)n1 95447238 LGWIBPBCQNGZPC-IINYFYTJSA-N 307.319 4.231 0 40 DIAB CCOc1ccc(CSc2nnc(C3CCCCC3)o2)nc1 96459658 DLFHUULNPOCJGH-UHFFFAOYSA-N 319.430 4.203 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]21 118915093 OTTDRBNUMLADAX-XQHUGBKSSA-N 304.474 4.205 0 40 DIAB O=C(Nc1cccs1)N1CCS[C@@H](c2ccco2)CC1 219430792 UDAHRDQVQSEBMC-GFCCVEGCSA-N 308.428 4.053 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223151174 RRTNIXUCYAOAGL-LHNRBYRGSA-N 321.420 4.075 0 40 DIAB Cc1cc(C)cc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225037362 MDKHUJZYXMFPPB-LJQANCHMSA-N 312.409 4.303 0 40 DIAB Cc1cc(C)c(-n2ncc3c(Cl)nc(Cl)nc32)c(C)c1 228947328 GEXNCUXXPDOVQE-UHFFFAOYSA-N 307.184 4.048 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccs3)N21 260775182 PRPDJPOXPWNFQZ-UGFHNGPFSA-N 315.467 4.123 0 40 DIAB CC(=O)c1cn([C@@H](C)C(=O)Nc2ccccc2)c2ccccc12 409198807 FOAMQUUPAABLPM-ZDUSSCGKSA-N 306.365 4.044 0 40 DIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1 83400 VUWYELFOOHMBAH-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB CCN(CC)C(=O)Oc1ccc2ccccc2c1Br 152126 BKLVMZQTBJAKRV-UHFFFAOYSA-N 322.202 4.443 0 40 DIAB Clc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 525859 KHLDKZKIAWXOHO-HOTGVXAUSA-N 310.788 4.078 0 40 DIAB CC(C)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 543456 ZRJNUVJMYCRKOF-UHFFFAOYSA-N 310.248 4.352 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)[C@@H](C)CCC3 2362046 FCOLWRCXKXFTIY-VIFPVBQESA-N 324.409 4.347 0 40 DIAB CCn1c(SCc2nc3ccccc3[nH]2)nc2ccccc21 2462420 KBTUTUFNNRULAD-UHFFFAOYSA-N 308.410 4.225 0 40 DIAB CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 3335891 NLBAIDWNPBICRH-UHFFFAOYSA-N 302.424 4.165 0 40 DIAB CO/C=C(\Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 4648735 DOKZSCYUYPJKAG-WJDWOHSUSA-N 317.772 4.154 0 40 DIAB CCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccccc1 4910163 JMJFUCSCOVMIEV-KRWDZBQOSA-N 323.421 4.093 0 40 DIAB COc1ccc(COC(=O)Oc2ccc(Cl)cc2)cc1OC 5064196 OORGURYZZCLCDW-UHFFFAOYSA-N 322.744 4.073 0 40 DIAB Cc1cc2nc(NC(=O)c3ccc(F)cc3)sc2cc1C 5152371 WPVNTZHHAQIVTH-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CCn1c(=S)[nH]c2sc(C)c(-c3ccc(F)cc3)c2c1=O 6648770 ZJQOTYHVESHJHO-UHFFFAOYSA-N 320.414 4.255 0 40 DIAB Cc1cccc(-c2nc(C)cc(Nc3ccc(C(=O)O)cc3)n2)c1 8702973 VPMOPPNCPYRVST-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB CCCCc1ccc2nc(C)c(CN(CC)CC)c(O)c2c1 8717210 YHSGPWJTNOSGGV-UHFFFAOYSA-N 300.446 4.433 0 40 DIAB CC1CCC(NC(=O)Cc2csc(-c3ccccc3)n2)CC1 8727331 TUTBZAVIDMQSML-UHFFFAOYSA-N 314.454 4.048 0 40 DIAB CCCN(Cc1ccccc1)C(=O)COc1ccccc1Cl 13061477 YQMSNZSDWPGKDA-UHFFFAOYSA-N 317.816 4.158 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1 13670620 DCWWVHIRWBVFQX-HNNXBMFYSA-N 311.425 4.414 0 40 DIAB Cc1nc(Cl)c(N)c(Oc2ccc(-c3ccccc3)cc2)n1 24971107 ABGXVDALRJBMJF-UHFFFAOYSA-N 311.772 4.480 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1F 25298910 NRBKIFKQLBNKSD-LLVKDONJSA-N 323.314 4.227 0 40 DIAB COc1cccc(NC(=O)Nc2nc(C(C)(C)C)cs2)c1 28221344 IISJNCQCGLHBFM-UHFFFAOYSA-N 305.403 4.093 0 40 DIAB C[C@@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CCC[C@H]12 36371940 SGQIYKXGWYOMQI-SSZIBAPDSA-N 306.490 4.141 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)N[C@H]1CCOc2ccccc21 40023899 DXNRXSJMEMHPEE-ZDUSSCGKSA-N 320.751 4.124 0 40 DIAB CCOc1ccc([C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1 41531117 PIPVOAAZJRJMEK-INIZCTEOSA-N 304.773 4.345 0 40 DIAB COc1cccc(CNCc2cccc3ccccc23)c1OC 48751858 YSAJMOFKYLFOGD-UHFFFAOYSA-N 307.393 4.147 0 40 DIAB Cc1ccc(C)n1C1CCN(C(=O)Nc2ccccc2F)CC1 58203270 OGONBAQCVFFBLW-UHFFFAOYSA-N 315.392 4.113 0 40 DIAB CCN(C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72212802 AXHJWLDWGDEWNG-IBGZPJMESA-N 309.457 4.265 0 40 DIAB CCCCOc1ccc(OC)cc1NCc1nc(C)c(C)o1 84491388 VYNBFTGNIGBEEJ-UHFFFAOYSA-N 304.390 4.091 0 40 DIAB CCC[C@H]1CCCN(Cc2csc(-c3ncccn3)n2)CC1 84740783 INDJMRALPVKJHV-AWEZNQCLSA-N 316.474 4.002 0 40 DIAB Cc1cccnc1CN[C@@H]1CCCOc2c(Cl)cccc21 95422102 ATJCRCFKBSDNMG-OAHLLOKOSA-N 302.805 4.047 0 40 DIAB C[C@H](Nc1cccc(OCc2cscn2)c1)c1ccncc1 97045933 MVUXRGZCQSXGCZ-ZDUSSCGKSA-N 311.410 4.290 0 40 DIAB C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@H]1C=C[C@H]2C1 104295392 ILNDWVYKQRIFHI-WNZSCWOMSA-N 314.450 4.007 0 40 DIAB COc1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1 140391147 YPQRYMQCAYJTQS-UHFFFAOYSA-N 321.149 4.140 0 40 DIAB CC(C)(C)n1cc(/C=C(\Cl)c2nc3cc(F)ccc3o2)nn1 191317996 NWZVZVCFFXQUJY-XFFZJAGNSA-N 320.755 4.050 0 40 DIAB O=C(CSCc1ccccc1)NCc1ccc2ccccc2c1 222748316 SDAKOAZAVPYWAD-UHFFFAOYSA-N 321.445 4.389 0 40 DIAB CC(C)(C)NC(=S)Nc1ccc(Sc2ccccc2)nc1 223883302 FTQIVLHOBTVIPR-UHFFFAOYSA-N 317.483 4.318 0 40 DIAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224700950 MNLBYBUDQMALSG-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB CCc1ccccc1C[C@H](Sc1ccc(C)cc1)C(=O)O 225041292 NTSLUTVRTCGGOS-KRWDZBQOSA-N 300.423 4.345 0 40 DIAB Cc1ccc(CCC(=O)N[C@H](C)CCc2ccccc2)cc1C 225452179 ZBGJFVHHVOEINQ-GOSISDBHSA-N 309.453 4.374 0 40 DIAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2)c2sccn12 257302398 SCUHFIISFIPKKW-INIZCTEOSA-N 311.454 4.431 0 40 DIAB COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 37296 AZWRLKWLESQLMX-UHFFFAOYSA-N 324.486 4.393 0 40 DIAB Cc1cc(C)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(C)c1 420268 WLHLLBIXHDIJTL-UHFFFAOYSA-N 321.424 4.217 0 40 DIAB CCC(CC)c1nnc(NC(=O)c2ccccc2Cl)s1 804645 BJLQXIDMXPQJKG-UHFFFAOYSA-N 309.822 4.347 0 40 DIAB Cc1ccc(C)c(-c2cc(C(=O)NC3CC3)c3ccccc3n2)c1 1002384 KFPHMLWOIGVYAU-UHFFFAOYSA-N 316.404 4.411 0 40 DIAB c1ccc(-c2ccc(-c3nncc(-c4ccccc4)n3)nc2)cc1 2561378 JIFVPWRTVQHPKC-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC 3478844 SMJQMMSMFLNYHW-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CC[C@H](C)NC(=O)c1cc2sccc2n1Cc1ccccc1 4970949 HCNNRURFUJELFO-ZDUSSCGKSA-N 312.438 4.279 0 40 DIAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 4988471 CXTKWCMNZGJKHU-UHFFFAOYSA-N 310.353 4.247 0 40 DIAB CCc1ccccc1NCC(=O)Nc1ccc(C)c(Cl)c1 5688364 NPCTYCQTMGWGEH-UHFFFAOYSA-N 302.805 4.261 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc3cc(OC)ccc3o2)cc1 6777913 FLGOQHNGRMFCAR-UHFFFAOYSA-N 310.353 4.242 0 40 DIAB Cc1cccc(NC(=O)Cc2nc(-c3cccs3)cs2)c1 7845673 IEPXGGYCQUMNMC-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB COc1ccc(C)cc1NC(=O)CSc1ccc(F)c(F)c1 7927483 UJDCVLDAVXHOAZ-UHFFFAOYSA-N 323.364 4.013 0 40 DIAB C[C@H](NC(=S)NCc1ccccc1)c1cc2ccccc2o1 7970138 QHGQNXZLCNXIDX-ZDUSSCGKSA-N 310.422 4.158 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CCCc4ccccc43)cc2c1C 8342301 OZQSHKXWPKLDPZ-UHFFFAOYSA-N 304.393 4.378 0 40 DIAB CCC(=O)Nc1cc(-c2cccc(C)c2)nn1-c1ccccc1 8598874 XSPDELGAHOBDQW-UHFFFAOYSA-N 305.381 4.196 0 40 DIAB C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1cccs1 9513340 AMGVXXKRMXZKLS-GFCCVEGCSA-N 321.409 4.050 0 40 DIAB Cc1nc2cc(NC(=O)C3CCCC3)ccc2n1-c1ccccc1 12546438 GSPVJPIFBCGCKN-UHFFFAOYSA-N 319.408 4.463 0 40 DIAB O=C(OCc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 12736899 ZRZOJVZLEFVSTM-UHFFFAOYSA-N 318.376 4.107 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(O)c3ccccc23)cc1 14182690 IWZIIMMUQGAEKB-UHFFFAOYSA-N 321.376 4.125 0 40 DIAB Cc1cccc(Oc2ccc(NC(=O)CNC(C)(C)C)cc2)c1 16473397 CSLHFDPNGAPNCB-UHFFFAOYSA-N 312.413 4.114 0 40 DIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 21312679 YJKPGBKKFKYMNR-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB Cc1ccc(CCCNC(=O)c2c(C)noc2C(C)C)c(C)c1 21558312 IGDMUXBCJIQGPM-UHFFFAOYSA-N 314.429 4.086 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)NOCc1ccccc1 23040063 NUTIOLRYWHBXEW-UHFFFAOYSA-N 321.376 4.127 0 40 DIAB Cc1ccc(NC(=O)c2cccc3ncccc23)c2cccnc12 24832722 PWXAFKYIWHLMSW-UHFFFAOYSA-N 313.360 4.344 0 40 DIAB CC1(C)C[C@H](NCC[C@@](C)(c2ccccc2)C2CC2)CCO1 32090153 LWNXYDKNRVFMAG-QUCCMNQESA-N 301.474 4.292 0 40 DIAB Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(C3CC3)nc21 36615858 HBOISMXMEXTULO-UHFFFAOYSA-N 321.277 4.456 0 40 DIAB COc1ccc(OC)c(C(=O)c2c(Cl)cccc2Cl)c1 37353823 VZTOKSFOTZARJD-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1c(F)cccc1F 38753845 OPQVCFYFAMZMHH-GFCCVEGCSA-N 319.351 4.494 0 40 DIAB C[C@H](CC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 40133818 KAGKNPFNMORGLN-OAHLLOKOSA-N 305.381 4.005 0 40 DIAB O=C(N1CCC[C@@H](C(F)(F)F)C1)C12CC3CC(CC(C3)C1)C2 40461971 JFVRFBLQOQDPTQ-MHCOZEDOSA-N 315.379 4.004 0 40 DIAB CCCc1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122786 HSDHLRRSYIUURE-HNNXBMFYSA-N 319.449 4.046 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 54771987 JIMFQCNMAGDHGX-QRVBRYPASA-N 309.384 4.293 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](Cc2ccccc2)S1 71284576 BHLGRBMRSNPPDM-CYBMUJFWSA-N 301.415 4.250 0 40 DIAB CC[C@H]1CCCCN1C(=O)NCC1(c2ccc(Cl)cc2)CC1 72093865 BCAAIJZXDAHWIS-INIZCTEOSA-N 320.864 4.346 0 40 DIAB Cc1nc(-c2cccc(N[C@H](C)C3CCN(C)CC3)c2)oc1C 97038183 RXEOJXWARMUZIO-CQSZACIVSA-N 313.445 4.101 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccccc3)on2)C1 100640451 HNBCEGYOHPWBOB-QRWLVFNGSA-N 324.424 4.382 0 40 DIAB Clc1nc(Cl)c2ccccc2c1I 140713980 KWOMLUVPMDOWSS-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB COc1ccccc1CNC(=S)c1ccc(C(C)(C)C)cc1 408577084 ZVMOKQKTYKDRPW-UHFFFAOYSA-N 313.466 4.458 0 40 DIAB CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2ccccc21 409116553 OCSBKWVTSWFTGT-VBKFSLOCSA-N 323.392 4.001 0 40 DIAB c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCO3)o2)cc1 583652307 JKRMGUPNFITAFU-QGZVFWFLSA-N 322.364 4.167 0 40 DIAB O=C(CSC1CCCC1)NCc1cc(-c2ccoc2)cs1 1888913582 OVHMNVUAUVCBBN-UHFFFAOYSA-N 321.467 4.300 0 40 DIAB CC1(C)[C@@H](C(=O)N2CCc3ccccc32)[C@@H]1C=C(Cl)Cl 140064 VPMMVEONLTVGLR-SMDDNHRTSA-N 310.224 4.167 0 40 DIAB Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 520620 XZFSXQUAXGRWDI-UHFFFAOYSA-N 312.785 4.173 0 40 DIAB COc1cc(NCCCCCNC(C)C)c2nccc(C)c2c1 1600859 FTVDWPVETVDUML-UHFFFAOYSA-N 315.461 4.132 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)cc1 1986216 HKAZOTRJOGBNKM-BJMVGYQFSA-N 317.772 4.009 0 40 DIAB C[C@H]1c2ccccc2[C@H](C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N12 2146183 KOXAUIJMWHCIOC-BWACUDIHSA-N 321.376 4.150 0 40 DIAB biogenic O=C(Nc1ccc2c(c1)CCC2)c1ccc(C(F)(F)F)cc1 3411912 LMLJRKNOKZEKOK-UHFFFAOYSA-N 305.299 4.446 0 40 DIAB S=C(Nc1ccc2cn[nH]c2c1)Nc1ccccc1Cl 5657818 IDTIHQDTJOBAQE-UHFFFAOYSA-N 302.790 4.025 0 40 DIAB CCOC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 6401880 CDKQNGIWVZDPFV-KZULUSFZSA-N 300.402 4.036 0 40 DIAB Cc1nc(SCC(=O)NC(C)(C)C)n(C2CCCCC2)c1C 6973310 NKSIZGPEJKJXSL-UHFFFAOYSA-N 323.506 4.012 0 40 DIAB CCCc1sc(C(=O)Nc2nnc(C3CC3)s2)cc1CC 8388900 YMEKWWLQYVGVCM-UHFFFAOYSA-N 321.471 4.244 0 40 DIAB O=C(CCc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 8428033 FIFWFQHBEKJFDK-MRXNPFEDSA-N 315.413 4.112 0 40 DIAB Cc1cc(C)cc(NC(=O)CSC[C@@H]2CC2(Cl)Cl)c1 9165237 CKWIGJWVXAHLQP-NSHDSACASA-N 318.269 4.169 0 40 DIAB CC(=O)c1ccc(NC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 12385111 CMTXYUCHBBPYJQ-WQGACYEGSA-N 304.459 4.000 0 40 DIAB CCOc1ccc2ccccc2c1CNCCCN(CC)CC 13734396 JOJKIUJVRXSYGK-UHFFFAOYSA-N 314.473 4.060 0 40 DIAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(C)cc1 13816312 SWPKSGYOAILYGZ-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB CSc1nc2ccc(NC(=O)c3cc(C)oc3C)cc2s1 14501208 LPTMTLFUMWLSCU-UHFFFAOYSA-N 318.423 4.480 0 40 DIAB Cc1cccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1 15017890 MMFWOLPUDRGLNS-AWEZNQCLSA-N 316.198 4.036 0 40 DIAB CC1(C)S/C(=C/c2ccccc2)c2nc3ccccc3c(=O)n21 17187174 LJAGJOWIAKVJQL-FOWTUZBSSA-N 320.417 4.334 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 22412557 PCRUHJWAJKFBHW-UHFFFAOYSA-N 314.694 4.315 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc1 22879850 RCTZZFDCRJZOPK-CQSZACIVSA-N 324.424 4.340 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccccc1OC 24099218 NOWMJQJILTVONW-HYSAVQALSA-N 322.408 4.012 0 40 DIAB Cc1ccc(C)c(-n2ccnc2S[C@H]2CCCCC2=O)c1 26047453 XERUSRMXIQPFAC-INIZCTEOSA-N 300.427 4.093 0 40 DIAB Cc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1 32189959 NRGIHCDLSOTOGZ-UHFFFAOYSA-N 324.424 4.455 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 36623142 SNKIPHWEQZFXRI-HOTGVXAUSA-N 311.425 4.202 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCCCCC1 44849191 YCLQQTVHNMUTJX-SFHVURJKSA-N 311.425 4.400 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)NCCc1ccccc1 58481377 UKDDYRBPADSNLU-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](C(F)(F)F)S1 71286922 FLXBQXZYLMFCBN-JTQLQIEISA-N 319.352 4.494 0 40 DIAB Cc1nc(NCc2ccccc2)ccc1[C@@H](O)c1ccccc1 72224415 JPHDESLBZDXIRS-FQEVSTJZSA-N 304.393 4.084 0 40 DIAB CCC(C)(C)C1CCC(NC(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 93906031 SCNFPCFNMYBSPS-QBBMROGASA-N 309.494 4.301 0 40 DIAB FC(F)(F)[C@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 95348770 CCZLFZWMSBFUDA-JTQLQIEISA-N 316.348 4.177 0 40 DIAB CCc1nc([C@@H](C)N[C@H](C)c2ccc(OC)cc2OC)cs1 95422321 ORWYBKLXTRXAJS-VXGBXAGGSA-N 320.458 4.135 0 40 DIAB COCC(=O)N(c1ccccc1)[C@@H](C)c1ccc(Cl)cc1 97011812 XBNVCUDHMGJLTE-ZDUSSCGKSA-N 303.789 4.081 0 40 DIAB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223249474 WLASYLNPEZJHSM-ZDUSSCGKSA-N 313.828 4.249 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225464485 ADHYUIRUQSPKRD-JTQLQIEISA-N 322.380 4.021 0 40 DIAB COc1ccc(CCC(=O)N[C@H](C)c2ccccc2C)cc1C 225842321 NVPBTRKRSPGDGI-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB Clc1cnccc1N1CC(n2c(C3CC3)nc3ccccc32)C1 1775972685 RBCJHGIBICBRHP-UHFFFAOYSA-N 324.815 4.023 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl 364952 HTKASQKWXIABBI-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(NCC[C@H](c1ccccc1)c1ccco1)c1cccs1 536320 NHRHDXBPINCSKX-OAHLLOKOSA-N 311.406 4.293 0 40 DIAB O=C(c1cn(CCOc2ccc(F)cc2)c2ccccc12)C1CC1 578885 RRYBVGFGHAQZLG-UHFFFAOYSA-N 323.367 4.452 0 40 DIAB Cc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1 1340603 YOIFVAGLAFUBHT-UHFFFAOYSA-N 317.392 4.064 0 40 DIAB Cc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)c1C 1827328 CQWYOQVERMSPIX-SGTLLEGYSA-N 317.502 4.045 0 40 DIAB COc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1 2629960 HREHICFXIVRDEZ-UHFFFAOYSA-N 304.415 4.214 0 40 DIAB COc1ccc(COC(=O)N/C=C/c2ccccc2Cl)cc1 3105682 WEINSARAUXIUFW-ZHACJKMWSA-N 317.772 4.246 0 40 DIAB CC(C)c1ccc(NC(=S)N(C)CCc2ccccn2)cc1 5656561 SLMBOBUURXHRJS-UHFFFAOYSA-N 313.470 4.076 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1cc(Br)cs1 5903417 ONXUHKXDKGXHFK-WDZFZDKYSA-N 306.184 4.003 0 40 DIAB O=C(CSc1nc2cc(Cl)ccc2s1)c1ccc[nH]1 6320822 SMLFXJHHKMGQNN-UHFFFAOYSA-N 308.815 4.253 0 40 DIAB O=C(c1ccc2ncsc2c1)N(Cc1ccccc1)C1CC1 6677468 KFJLOPASFMHAQQ-UHFFFAOYSA-N 308.406 4.101 0 40 DIAB Cc1c(F)cccc1N[S@](=O)C12CC3CC(CC(C3)C1)C2 7871151 FSSLFEUEGJKEEU-FEYNUYTQSA-N 307.434 4.179 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC(C)C)cc1 8049714 UWQSLRAJXVGIKU-GOSISDBHSA-N 313.397 4.270 0 40 DIAB CC(C)c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 8706369 MUKHYQXZAWVASG-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc3scnc3c2)cc1 10217607 DHKRQPZGTWYUNM-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N(C)c2ccccc2)cc(C)c1Cl 10287291 DAZZWSNMINSXQS-AWEZNQCLSA-N 317.816 4.387 0 40 DIAB C[C@H]1CCc2sc(C(=O)N3CCc4ccccc4C3)cc2C1 12748318 FIVHVUHCAMVQJY-ZDUSSCGKSA-N 311.450 4.071 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1ccccc1C 16362753 FZHKXROZWSJQGQ-UHFFFAOYSA-N 313.441 4.328 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1Cl 22367587 MLGILPSXCIFFSW-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 22534837 YDWPLBZFNOGPSI-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 31078557 LUNOCTRVLKFFFW-CYBMUJFWSA-N 319.351 4.296 0 40 DIAB O=C(CC[C@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 32816047 JTBJOEVKWLSOLX-QGZVFWFLSA-N 307.393 4.156 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccco2)on1 32871962 UOSGWQYHXVBUBP-UHFFFAOYSA-N 308.337 4.066 0 40 DIAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 36621764 UBYJCOQOPFVSFQ-ZOAFEQKISA-N 313.400 4.495 0 40 DIAB O=C(NC1CCCC1)c1ccc(SCc2cscn2)cc1 44896674 NZRSDGRZUOVDMZ-UHFFFAOYSA-N 318.467 4.108 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C 44900424 SEHSDRSYSXKUJF-GOSISDBHSA-N 311.425 4.086 0 40 DIAB CCCCN1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216648 JRBULOBJZDXWEY-SFHVURJKSA-N 301.478 4.399 0 40 DIAB O=C(Nc1ccccc1)N1CCC2(C=Cc3ccccc3O2)CC1 77976681 UGSXDIIECVASJW-UHFFFAOYSA-N 320.392 4.159 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cccc(F)c1 89212777 TWKSAZCEYVHKQX-HNNXBMFYSA-N 308.397 4.027 0 40 DIAB CCc1nnc([C@@H](C)SCc2ccc(OC(C)C)cc2)o1 95412908 PGQPUZDLTAEHNB-GFCCVEGCSA-N 306.431 4.414 0 40 DIAB CC(C)CSCCNc1ccccc1C(=O)NC(C)(C)C 95454346 CJWRXXGLBAVNDZ-UHFFFAOYSA-N 308.491 4.016 0 40 DIAB Cc1ncsc1CC[S@@](=O)c1ccc(Cl)c(Cl)c1 95964705 KYSDCCODDBVQSG-SFHVURJKSA-N 320.266 4.109 0 40 DIAB Cc1cnc([C@@H](C)NCc2ccc(SC(F)(F)F)cc2)o1 96003615 FJHVYSMRIPFRDA-SNVBAGLBSA-N 316.348 4.446 0 40 DIAB C/C(=C\C(=O)NCC1(c2ccccc2)CC1)c1ccccc1F 96298033 UTONONWMNUZBJG-FYWRMAATSA-N 309.384 4.077 0 40 DIAB CCOc1ccc(/C(=C\C(=O)O)c2ccc(Cl)cc2)cc1 96299375 PQOCUFKLYQOQIJ-WJDWOHSUSA-N 302.757 4.255 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)Cc1cnc2ccccc2c1 97002256 RNYNBEUMVNDWOC-UHFFFAOYSA-N 310.784 4.378 0 40 DIAB C[C@@H](c1ccccc1)[S@@](=O)c1ccccc1Br 97002326 RCZCCBJFGUBTNS-GTNSWQLSSA-N 309.228 4.318 0 40 DIAB Cc1ccc(N2CCC(C(=O)NC(C(C)C)C(C)C)CC2)cc1 219852179 VMZXQCBGDONRIM-UHFFFAOYSA-N 316.489 4.008 0 40 DIAB Cc1cc(O[C@@H](Cc2ccccc2C)C(=O)O)ccc1Cl 225015445 HUATWDUZGIOVPU-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Fc1ccccc1NC(=S)NCCCc1ccccc1Cl 225540066 UAYQGLSTGHNUHY-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB Cc1ccccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039204 KTWBQLCFJDULAT-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260622260 SCRBBRIMBXTYJW-ZBFHGGJFSA-N 303.446 4.347 0 40 DIAB CC1(C)CC[C@H]2CN(C(=O)C3(C)CCCCC3)CC[C@@]2(C)O1 585285502 KGSWQZOOONKHRQ-HNAYVOBHSA-N 307.478 4.153 0 40 DIAB O=C(N1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21 152117 GBLMFVOJNZJCON-UHFFFAOYSA-N 319.408 4.081 0 40 DIAB O=C(COC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 309551 YIJHIAPPRTZSBT-UHFFFAOYSA-N 322.385 4.455 0 40 DIAB OC(CSc1ccc(F)cc1)CSc1ccc(F)cc1 1385787 QPNDAMPJJVDLFA-UHFFFAOYSA-N 312.406 4.210 0 40 DIAB COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC 1387036 LHGGYEWCVWOGFX-UHFFFAOYSA-N 315.760 4.044 0 40 DIAB CCC[C@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 1569406 RRODMYNEUWOESW-WMZOPIPTSA-N 303.446 4.336 0 40 DIAB CCO[C@H](C)c1ccc(OC(=O)c2ccccc2)c(OC)c1 1679124 JERHFVJGLUPWOC-CYBMUJFWSA-N 300.354 4.012 0 40 DIAB FC(F)Oc1ccc(NC(=S)N2CCCCCCC2)cc1 3353755 FKXOLGDDDXSEDA-UHFFFAOYSA-N 314.401 4.251 0 40 DIAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2ccccc2n1 3401825 WWMRHYBPMSBBGQ-UHFFFAOYSA-N 323.352 4.236 0 40 DIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 3614451 FPIMJESNDCTMTA-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB COCCSc1ccccc1C(=O)N[C@@H](C)CCCC(C)C 4649116 WCBFPZMNZQILFX-HNNXBMFYSA-N 323.502 4.370 0 40 DIAB CCCn1nc(NC(=O)C(C)(C)C)c2cc3ccc(C)cc3nc21 5478670 USFGTMOGHXSVAZ-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 5679773 QVEHXXZACSDYAB-UHFFFAOYSA-N 305.324 4.106 0 40 DIAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1Cl 5692339 KCQLEWYNDXIBEX-UHFFFAOYSA-N 313.740 4.352 0 40 DIAB CCOc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 5873617 OXHRATUOVTUTRI-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB Cc1ccc2c(COC(=O)C3CCCCC3)cc(=O)oc2c1C 6376862 RPIVKUSIDBUWLE-UHFFFAOYSA-N 314.381 4.033 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 6745893 IXVYZOJWFPKWKQ-IBGZPJMESA-N 324.424 4.176 0 40 DIAB Cc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cs1 7088075 JQFMTVOPFLUPCY-KRWDZBQOSA-N 321.405 4.223 0 40 DIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1cc(Cl)cc(Cl)c1 8715562 JRGMSRAPYSMYNS-RYUDHWBXSA-N 301.169 4.067 0 40 DIAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(C)o3)c2n1 9377925 KLTGOKRFGXZKEJ-UHFFFAOYSA-N 324.167 4.120 0 40 DIAB C[C@H](Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1ccccc1 12539924 SLTVQNFMBMUOBY-HNNXBMFYSA-N 324.424 4.447 0 40 DIAB CCCCN(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 12932578 PRCQPLMPAZOZSH-UHFFFAOYSA-N 308.381 4.367 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 13676530 NVRNHPUKKLWLPF-GFCCVEGCSA-N 305.830 4.484 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 20133940 XQNVBWBGOPUTEZ-IZZDOVSWSA-N 302.757 4.105 0 40 DIAB Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 20221032 LTUZREYOTRYWIQ-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCCn1c(NC(=O)CCc2cccs2)nc2ccccc21 21597653 XWAQGHXSBWAYJN-UHFFFAOYSA-N 313.426 4.079 0 40 DIAB CC(C)[C@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)cc1 24136050 KFEXUKWXFBNWNE-HNNXBMFYSA-N 306.768 4.001 0 40 DIAB C[C@H](NC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 30983093 PQIUPQBSZYCGRD-JTQLQIEISA-N 300.324 4.008 0 40 DIAB CCCOc1ccc(CNc2ccc(OC)cc2)cc1OC 32186697 MKUOIOBRYZNJEQ-UHFFFAOYSA-N 301.386 4.105 0 40 DIAB COc1ccc(CSc2noc(-c3ccc(C)cc3)n2)cc1 32611983 NYWLSGYYIOMZHX-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB O=C(CSc1cccc2ccccc12)Nc1nccs1 32693016 CYYZTBBVCJWNGJ-UHFFFAOYSA-N 300.408 4.027 0 40 DIAB COc1cc(C(=O)Nc2cc(C)nc3ccccc23)ccc1C 32814972 BLFVNPDNNGBOOI-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 40051265 PQSGQYBVQHLLCL-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(Cl)cc1F 40111396 LWABXCZVCRNJIS-UHFFFAOYSA-N 322.748 4.448 0 40 DIAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccs1 40115742 WMAQXOUIXORACE-UHFFFAOYSA-N 314.341 4.327 0 40 DIAB O=C(NNc1ccc(F)cc1)c1ccc2c(c1)Cc1ccccc1-2 48136545 JNSZRWKAKNAQBK-UHFFFAOYSA-N 318.351 4.154 0 40 DIAB Fc1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1F 49168867 JICXHQCRCLRPJJ-ZDUSSCGKSA-N 314.335 4.096 0 40 DIAB biogenic,in-vitro CSCc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 52919200 IWNYILQWFKLONW-RDJZCZTQSA-N 303.471 4.344 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(C)CC2)c1 58818293 XPKCOROURHHPAH-MRXNPFEDSA-N 303.446 4.144 0 40 DIAB CCOC1=C(CN(C)C)[C@H](c2ccc(C)cc2)Oc2ccccc21 71405270 QAQPYIKTJWDZCV-FQEVSTJZSA-N 323.436 4.438 0 40 DIAB Cc1cc(CSc2nnc(C(C)C)n2C)c2ccccc2n1 71905501 SHTSGZBBZWPYGC-UHFFFAOYSA-N 312.442 4.087 0 40 DIAB Cc1ccccc1OCCCC(=O)N1C[C@H](C)[C@H]1c1ccccc1 72303342 GKZLFHJDXVHBRW-UWJYYQICSA-N 323.436 4.374 0 40 DIAB CCOc1ccccc1C[S@@](=O)[C@@H](C)c1ccc(F)cc1 78555954 NSBBLXIOZIRASZ-ZSEKCTLFSA-N 306.402 4.234 0 40 DIAB COC1CCN([C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89409607 HWAHEDPDXKSVQA-HNNXBMFYSA-N 300.229 4.092 0 40 DIAB COc1cccc2c1CC[C@H]2NCc1cnc(C2CCC2)s1 95415567 UTHGYKJIKBOBNW-MRXNPFEDSA-N 314.454 4.196 0 40 DIAB CCOCc1cc(CN(C2CC2)[C@H](C)C(C)C)ccc1OC 95453802 SNSVPBUEADQCER-OAHLLOKOSA-N 305.462 4.241 0 40 DIAB CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 102956452 KJBNFSOBKCEDIY-GMBSWORKSA-N 301.430 4.030 0 40 DIAB O=C(c1cccc(Br)c1)c1c[nH]c2ccc(F)cc12 104414353 RNDNBZNPZAKKHK-UHFFFAOYSA-N 318.145 4.301 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 113955871 QPSHVYWMZLRHIF-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB Cn1cnc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc21 163040521 WGNQXXXPZPGYAK-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB CCN(CC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225005113 XTXWHKNGBUSSGE-UHFFFAOYSA-N 305.761 4.043 0 40 DIAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCCC2)cc1C 225627235 WATVSNHZLRMMRJ-OAHLLOKOSA-N 319.445 4.378 0 40 DIAB CC[C@@H](CNC(=S)Nc1ccc(F)cc1)Cc1ccccc1 225630631 OQSFYJOPBYFDQB-CQSZACIVSA-N 316.445 4.381 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225651825 ORWZTUPZKVCBEZ-RDTXWAMCSA-N 307.434 4.316 0 40 DIAB CCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCCCCC1 225711961 FKRVHLJPDNNAOO-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1Cl 225861274 VSLPOEKVBFBEBX-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB c1ccc([C@H](CN[C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C2CC2)cc1 576592010 ZONGNLZNJUCIRF-JSXRDJHFSA-N 313.485 4.365 0 40 DIAB CCc1cnccc1[C@@H](C)NCc1nc(C(C)C)n2ccccc12 580199713 WXOHTLFUHQMNED-OAHLLOKOSA-N 322.456 4.266 0 40 DIAB Cc1ccccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 2048797 CNLBEUPHUDJNIA-UHFFFAOYSA-N 324.401 4.430 0 40 DIAB CCN(C(=O)c1ccccc1F)c1nc2c(C)cccc2s1 2656873 KKYDSBGJKUGAMO-UHFFFAOYSA-N 314.385 4.411 0 40 DIAB CC(C)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 2705412 FHYJVLVEGSDAQL-UHFFFAOYSA-N 307.349 4.258 0 40 DIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]1(C)CC1(Cl)Cl 2872757 HJBOIBHMZAMTKV-LKFCYVNXSA-N 316.203 4.077 0 40 DIAB CCOC(=O)Cn1c(/C=C/c2ccc(C)cc2)nc2ccccc21 4002705 AWOLVKCBGKERNC-OUKQBFOZSA-N 320.392 4.078 0 40 DIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCO 4104890 YAIJFQYJGNKTTJ-FVKMIIMCSA-N 320.517 4.389 0 40 DIAB biogenic,in-vitro CC1(C)[C@@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@]1(C)C(=O)O 6855901 OYOJTMJWKBYBKK-QLJPJBMISA-N 306.793 4.211 0 40 DIAB O=C(NCCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 6883159 YYQJZMPMDXOJOX-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1C 7364373 LSVHRSMKRQSCJO-IBGZPJMESA-N 306.409 4.341 0 40 DIAB COc1ccc(CN(C)C(=S)Nc2cc(C)cc(C)c2)cc1 7581872 MZPSOGGUKVSRID-UHFFFAOYSA-N 314.454 4.141 0 40 DIAB Fc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 7989229 PZLNLXOISCYLLE-UHFFFAOYSA-N 309.369 4.047 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)cc1C 8493654 OMNZVYHBRBHNRU-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2c2ccccc2)c1 10311084 OZWLWPGLKFTNBE-IBGZPJMESA-N 308.425 4.079 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc(Cl)c2)c1 14573502 OYWVCLQTYGLXQO-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB CCOc1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1 22525514 APBLBLJTUNFDDN-UHFFFAOYSA-N 311.425 4.313 0 40 DIAB CN(Cc1ccc(F)cc1F)C(=O)C12CC3CC(CC(C3)C1)C2 22895501 RGNAYLDRDSSMQB-UHFFFAOYSA-N 319.395 4.140 0 40 DIAB COc1c(N)cc(-c2nc3cc(C)c(C)cc3o2)cc1Cl 26509155 QIXBULGPDHRTRH-UHFFFAOYSA-N 302.761 4.356 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3cccc(C)c3)cc2c1 28092685 XFKYRWHMWZBKAL-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB C[C@H](Cc1ccccc1Cl)NC(=O)CCc1cccs1 32930645 QFFPIEVAEFUVIF-GFCCVEGCSA-N 307.846 4.082 0 40 DIAB CC[C@@H](C(=O)NCCCOC1CCCCC1)c1ccccc1 40049166 VCEADDZXEBRPER-GOSISDBHSA-N 303.446 4.036 0 40 DIAB O=C(O)CCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214188 NLCIUNDGVLLIJW-UHFFFAOYSA-N 309.576 4.475 0 40 DIAB CCc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 44845447 YIUCEJKBQDSREQ-UHFFFAOYSA-N 302.805 4.267 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CC[C@H]1c1ccccc1 45816984 PCROOBZAIUGKEX-AWEZNQCLSA-N 309.394 4.275 0 40 DIAB C[C@H]1CCCCN1CCCCNC(=O)c1ccc2ccccc2c1 46989103 JKWFHALVACQKHQ-KRWDZBQOSA-N 324.468 4.224 0 40 DIAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 54363206 JBHDSQGMMXRBOS-UHFFFAOYSA-N 311.491 4.105 0 40 DIAB CC(C)c1ccsc1C(=O)Nc1cnc(C(C)(C)C)nc1 64328513 CBKCCUZVUCUFKX-UHFFFAOYSA-N 303.431 4.211 0 40 DIAB Oc1nc(SCc2ccccc2)nc2c1oc1ccccc12 67259853 TWYJOFBRPFGXLR-UHFFFAOYSA-N 308.362 4.374 0 40 DIAB CC[C@H](NC(=O)c1ccncc1Cl)C(C)(C)c1ccccc1 73114732 HZSDLWMJDUPXAZ-INIZCTEOSA-N 316.832 4.221 0 40 DIAB Clc1cc(CN2CC[C@H](c3ccccc3)C2)cc2c1OCO2 84525548 PGNQWFPOUMTNQL-HNNXBMFYSA-N 315.800 4.058 0 40 DIAB C[C@@H](c1ccco1)N(C)Cc1ccc(Oc2cnccn2)cc1 95982498 QGDBJGYOYCBOIP-AWEZNQCLSA-N 309.369 4.055 0 40 DIAB Cc1ccc(C(=O)NCC23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 100871936 ZSDADPFIJFRFIV-GKVPXEHWSA-N 317.860 4.303 0 40 DIAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(=S)[nH]c2ccccc2c1=O 105873526 SBNKCZCJWMFYKY-MNXVOIDGSA-N 300.427 4.056 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 170612570 VUMGPIOQOVMRQU-KXNHARMFSA-N 307.484 4.159 0 40 DIAB Nc1nnc(/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)o1 216747489 RMXIMCDMVNLUSE-ZZXKWVIFSA-N 322.151 4.389 0 40 DIAB CC(C)(C)OC(=O)N1CCC(c2nc(C(F)F)cs2)CC1 283804365 OARUIGXISOCMSV-UHFFFAOYSA-N 318.389 4.195 0 40 DIAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 1402137 KCTDIHDKJNNSKH-UHFFFAOYSA-N 318.420 4.316 0 40 DIAB O=c1oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 2136830 NFXINGCOLOPMQI-UHFFFAOYSA-N 310.393 4.310 0 40 DIAB biogenic c1ccc(-c2nnc(NCc3cccnc3)c3ccccc23)cc1 2629297 SDAYLTIPFRSAEX-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C(C)C 2972283 DMZOINZLORSOFM-UHFFFAOYSA-N 311.410 4.261 0 40 DIAB C[C@@H](NC(=O)CSc1cccc2cccnc12)c1ccccc1 3066112 AGJIVQCZKLGXSI-CQSZACIVSA-N 322.433 4.204 0 40 DIAB CC(C)(C)c1ccc(OCCC(=O)NC2CCCCC2)cc1 3287689 JWQAITMEEDIIKY-UHFFFAOYSA-N 303.446 4.202 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 3561594 PKUHOXLIDMYUAO-VIFPVBQESA-N 311.715 4.024 0 40 DIAB O=C(NCc1ccccc1Cl)c1cc2c(s1)CCCC2 3562250 WWPAIDATYFDUJI-UHFFFAOYSA-N 305.830 4.210 0 40 DIAB CCN(c1ccc(NC(=O)c2ccccc2F)cc1)C(C)C 4895727 ARBLLCAOUSJLHH-UHFFFAOYSA-N 300.377 4.313 0 40 DIAB O=Nc1c(-c2ccccc2)nc2ccc(Br)cn12 5532058 AUGGZSUCWOMOPO-UHFFFAOYSA-N 302.131 4.162 0 40 DIAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCCCC3)c12 6663154 ALZOEMCGVVDHFS-UHFFFAOYSA-N 320.440 4.087 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1OC 8291849 ICENRAIOTZLWRN-UHFFFAOYSA-N 317.360 4.266 0 40 DIAB CN(CCOc1ccccc1Cl)C(=O)Nc1ccccc1F 9390054 JOYIJHZADAGIDI-UHFFFAOYSA-N 322.767 4.022 0 40 DIAB Cc1c(C(=O)NC2CCCCCC2)oc2c1C(=O)CC(C)(C)C2 9486298 IRHWMYDWCLZMMM-UHFFFAOYSA-N 317.429 4.196 0 40 DIAB Nc1c(Cl)nc(-c2ccccc2)nc1NC1CCCCC1 12782832 JYAMTWAZKXQOLY-UHFFFAOYSA-N 302.809 4.124 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCc2ccccc21 12825325 AFAXQSLCFKRANB-OAHLLOKOSA-N 315.800 4.407 0 40 DIAB Cc1nc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2o1 12882449 VDNKAZIZHUSNJT-UHFFFAOYSA-N 304.708 4.181 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1 12909219 CJKQCYZKHCOXNP-UHFFFAOYSA-N 320.751 4.080 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)C(C)(C)c2ccccc2)cc1 12945451 YTWQNEISSDMBOE-OAHLLOKOSA-N 311.425 4.240 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 13670011 IWRKCTLWXDGCRW-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)C1 13670338 PIWBJWCOJMBPNB-GJZGRUSLSA-N 303.446 4.010 0 40 DIAB Fc1ccc2[nH]cc(CCNCc3ccc4[nH]ccc4c3)c2c1 15424210 DMGTTZTWEOGSNB-UHFFFAOYSA-N 307.372 4.121 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)c(F)c1 20488493 IKUZQPBPRNUKEN-QGZVFWFLSA-N 319.351 4.378 0 40 DIAB COc1cccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)c1 21579183 DBKLJOJRFOJYAN-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB Brc1ccc(CNC2C3CC4CC(C3)CC2C4)cc1 22073750 SVQVBIFWCYDYER-UHFFFAOYSA-N 320.274 4.363 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1 22530477 HSCUBOFKQLOXKH-KBXCAEBGSA-N 315.388 4.169 0 40 DIAB COc1ccc(C(=O)CNc2cccc3ccccc23)cc1OC 27752753 HKGSJYCVXAOVIY-UHFFFAOYSA-N 321.376 4.152 0 40 DIAB Cc1ccc2cc(CN(C)Cc3cc(C)on3)c(Cl)nc2c1 31656338 AIRPTPLVUDFASG-UHFFFAOYSA-N 315.804 4.125 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccsc2)C1 36358871 CINCLXQUTDYLBE-LLVKDONJSA-N 313.357 4.197 0 40 DIAB CCOc1cc(Br)c(OCC)cc1Br 39296781 TWZPWMNAQFXRCD-UHFFFAOYSA-N 324.012 4.009 0 40 DIAB O=C(O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 41528000 CGKXESZZPSJSIG-UHFFFAOYSA-N 303.720 4.180 0 40 DIAB CCCCCC(=O)Nc1ccc2nc(NC(=O)CC)sc2c1 57316212 TUKSCNMTYXROLV-UHFFFAOYSA-N 319.430 4.164 0 40 DIAB Cc1oc(-c2ccccc2)nc1CCNc1nc2ccccc2o1 58427140 GHHDCFZHCHBOKD-UHFFFAOYSA-N 319.364 4.446 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N[C@H]1CCc2ccccc2C1 69320386 VLOBBYJZPHGRLK-NRFANRHFSA-N 315.416 4.056 0 40 DIAB CC(C)(C)OC(=O)N1CC[C@H](Sc2ccc(Cl)cc2)C1 72203983 MEYYYYJAZMMAHH-ZDUSSCGKSA-N 313.850 4.442 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72214960 ACHLZRRTOJAVEO-HNNXBMFYSA-N 319.449 4.048 0 40 DIAB COc1ccc(Cl)cc1C(=O)N1CCC2(CCCCC2)C1 76041013 VMAMJRQKGNUUSX-UHFFFAOYSA-N 307.821 4.145 0 40 DIAB CCO[C@@H](C)c1scc(Br)c1Br 85390786 KQGDVSKQLJVOJZ-YFKPBYRVSA-N 314.042 4.371 0 40 DIAB c1ccc2oc(-c3n[nH]cc3CNCCc3ccsc3)cc2c1 89873072 OYMQPEOOPKVXLM-UHFFFAOYSA-N 323.421 4.217 0 40 DIAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC/C=C/CC[C@@H]12 102707131 NVXYQEIQUDSTGK-FEDHDSKHSA-N 320.230 4.380 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1[C@@H](C)CCC[C@@H]1C 216865249 VOGHPBRWGLUIHB-KBPBESRZSA-N 317.477 4.329 0 40 DIAB CCOC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 216895522 FKWAYPPILKFMDJ-DHZHZOJOSA-N 316.784 4.495 0 40 DIAB CC(C)(C)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 223040320 GHWLKDZIWJOKQK-HNNXBMFYSA-N 301.430 4.375 0 40 DIAB Cc1ccccc1Nc1ccc(NC(=S)NC(C)(C)C)cn1 223883534 CTWNTIHLBXNANO-UHFFFAOYSA-N 314.458 4.219 0 40 DIAB CCc1ccccc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225364463 BCXJAHICHGOADJ-UHFFFAOYSA-N 323.392 4.053 0 40 DIAB COc1ccc(CCC(=O)Nc2ccccc2Cl)cc1C 225367716 XSDWCQVCXKDQGB-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225475082 PITWIXPXVBIWCT-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)OC)c2ccccc12 225789927 RVOCEGZMAFZONI-ZDUSSCGKSA-N 315.413 4.381 0 40 DIAB CC(=O)N[C@]1(C)C[C@H](C2CCCCC2)O[C@@H]2C[C@H](C)CC[C@H]21 257224262 FBAFQTUWODPYLU-NTDXCCSUSA-N 307.478 4.055 0 40 DIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(C)C 408707764 DUQBDFBTKPFVSN-OAHLLOKOSA-N 318.461 4.081 0 40 DIAB Clc1ccc2nc(SCCCc3ccncc3)[nH]c2c1 543266687 SNGIUMUIURLRGM-UHFFFAOYSA-N 303.818 4.336 0 40 DIAB CN1CCC[C@H]1CCOc1cccc(F)c1Oc1ccccc1 585266226 QSWNUGRGGLANIM-HNNXBMFYSA-N 315.388 4.481 0 40 DIAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 362405 WAKAIOIWPGEZPJ-OAHLLOKOSA-N 305.377 4.096 0 40 DIAB CC(=O)Oc1ccc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519856 SRZZJSRTPWVXAD-MFXRXQNDSA-N 300.398 4.148 0 40 DIAB COc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 567740 TWNQKBRYHBTJCH-FNORWQNLSA-N 316.407 4.018 0 40 DIAB C=CC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C 1481965 VWAUPFMBXBWEQY-BQJUDKOJSA-N 310.437 4.276 0 40 DIAB biogenic,in-vitro Cc1csc(N(C(=O)COc2ccccc2)c2ccccc2)n1 3560645 KFQXMLYNMODKPB-UHFFFAOYSA-N 324.405 4.195 0 40 DIAB COc1cccc(C(=O)Nc2cccc3c2ccc2cccn23)c1 4052190 MWUSGFOPNMJXFH-UHFFFAOYSA-N 316.360 4.353 0 40 DIAB CCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079103 RUIIUYVHVWKOSH-UHFFFAOYSA-N 315.423 4.056 0 40 DIAB Cc1sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)nc1-c1ccccc1 4614057 WMELCSMTMPPVOB-CFVMTHIKSA-N 312.438 4.493 0 40 DIAB CCC[C@H](C)c1nnc(NC(=O)c2ccccc2Cl)s1 4696340 YFNGKCSIBQYZFI-VIFPVBQESA-N 309.822 4.347 0 40 DIAB CC(=O)O[C@H]1CC[C@]2(C)C(=C[C@@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 4896395 QMCLGDBCODWMRX-YSFZOSMKSA-N 316.441 4.060 0 40 DIAB CCCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1 6323269 BPGUZFLEWXHJDU-QINSGFPZSA-N 319.426 4.312 0 40 DIAB CCSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C(C)(C)C)CC3 8767473 FSHMWYHVMXPYGS-VIFPVBQESA-N 322.499 4.248 0 40 DIAB CN(C(=O)Cc1ccccc1Cl)[C@H]1CCCc2ccccc21 14245549 FMOGPYATOGYRCZ-SFHVURJKSA-N 313.828 4.419 0 40 DIAB O=C(c1cc2cc(Cl)ccc2o1)N1CCc2ccccc2C1 17322058 LZUMTAPHTSWTAW-UHFFFAOYSA-N 311.768 4.285 0 40 DIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccccc1F 27143701 IOQZYMUBHWJGGF-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB CCCCc1oc2ccccc2c1CN(C)C(=O)c1cccnc1 32739431 ASFKNAMBDMJYRK-UHFFFAOYSA-N 322.408 4.443 0 40 DIAB CN(Cc1nc2ccccc2s1)C(=O)c1c[nH]c2ccccc12 32740996 PTBDBPKFIZILDL-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB CC(=O)c1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1 32907262 CBEPRHWTQZZZRA-CQSZACIVSA-N 310.397 4.032 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCc1ccc(OC)cc1 40098995 YSALQYQZRUIHHP-UHFFFAOYSA-N 312.413 4.142 0 40 DIAB c1ccc2oc([C@@H]3CCCN(c4nc5ccccc5o4)C3)nc2c1 51993293 GCNBXLSLYJUHCM-CYBMUJFWSA-N 319.364 4.353 0 40 DIAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccccc1 58152716 MJQCRUHTDLGQFO-MRXNPFEDSA-N 319.452 4.399 0 40 DIAB Cc1ccc([C@@H](O)c2ccc(Br)cc2)cc1Cl 63021803 AJLKRSKAZLMMSV-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB Cc1nc(C)c(-c2nnc(SCCc3cccs3)o2)s1 69618960 AUJZAPFWRXLRIZ-UHFFFAOYSA-N 323.468 4.206 0 40 DIAB COc1ccc(-c2cc(-c3ccc(C)cc3C)nc(N)n2)cc1 71977965 PZEVHSINEZTXOL-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB O=C(O)[C@H](Sc1ccnc(-c2ccccc2)n1)c1ccccc1 72265551 OCGVSYPAJFXNQX-MRXNPFEDSA-N 322.389 4.062 0 40 DIAB c1csc(-c2nc3nccc(-c4cc5ccccc5o4)n3n2)c1 96345315 AKSNSOJUKWSHDC-UHFFFAOYSA-N 318.361 4.266 0 40 DIAB C[C@@H](SCC(=O)Nc1ccsc1)c1nc2ccccc2[nH]1 96425201 ORIKXKDXHBVVLW-SNVBAGLBSA-N 317.439 4.057 0 40 DIAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 102427075 WOLSOMJOZHEZHZ-UHXUPSOCSA-N 311.347 4.260 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C)cc1C 113968940 SBRKSWOONKNKDK-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc(C)cc1C 222757073 UCIPDNIPDREYDJ-IBGZPJMESA-N 311.425 4.258 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223212365 MMLUTDKQRPYHLD-HOCLYGCPSA-N 303.446 4.285 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 224131321 JAQGGEFFVKOMJA-KGLIPLIRSA-N 311.853 4.440 0 40 DIAB CCCCOCc1cc(C(=O)NC2CCCCC2)ccc1OC 224433788 JQHYSTAKPMCNKL-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2cc3ccccc3o2)c1 225552112 WAIAGGOZPMPJOJ-UHFFFAOYSA-N 307.393 4.488 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225694437 USPOOYFISNSGBZ-SFHVURJKSA-N 307.434 4.236 0 40 DIAB COC(=O)c1ccc(CC2CCCCC2)n1Cc1ccccc1 226024278 FPRKAXRTOJEZLX-UHFFFAOYSA-N 311.425 4.446 0 40 DIAB CCCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226352289 YZDFKGAPFXSWEJ-UHFFFAOYSA-N 315.369 4.472 0 40 DIAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccsc1 390832115 XJHUFQPWGGGMRN-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB CC(C)Oc1cccc(NC(=O)CSc2ccccc2)c1 408564311 VMZJLAKXWOIZFD-UHFFFAOYSA-N 301.411 4.205 0 40 DIAB CCCCCN1C(=O)S/C(=C\c2ccc(OC)c(C)c2)C1=O 409218059 SJCHMHPCODDCSE-PTNGSMBKSA-N 319.426 4.230 0 40 DIAB Clc1ccc2c(c1)[C@@H](C1=NCCN1)c1ccccc1CS2 4155 HLSOHEMSDNNTJI-INIZCTEOSA-N 314.841 4.079 0 40 DIAB c1ccc2nc3c(nc2c1)Sc1nc2ccccc2nc1S3 47314 CFLHFRUIYUCACJ-UHFFFAOYSA-N 320.402 4.189 0 40 DIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 382455 YTUPAFOLDBNMLH-UHFFFAOYSA-N 307.752 4.275 0 40 DIAB Cc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1C 2116935 RGDZHCYVWIXNHE-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic CCCOC(=O)c1ccc(NC(=O)C2CCC(C)CC2)cc1 3108379 KISBIZILKUBIQB-UHFFFAOYSA-N 303.402 4.018 0 40 DIAB CC(=O)c1sc(NC(=O)C2CCCC2)nc1-c1ccccc1 3236141 ILWQEHHROZMAJS-UHFFFAOYSA-N 314.410 4.141 0 40 DIAB O=C(/C=C/c1cccc(Br)c1)Nc1ccccc1F 3403128 JJSVQWJDJJJVEQ-CMDGGOBGSA-N 320.161 4.240 0 40 DIAB CCc1ccc(C(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 4435163 WSOMNKCGDBGZLT-ZDUSSCGKSA-N 322.360 4.006 0 40 DIAB Cc1cccc(-c2nnc(CSc3nc4ccccc4o3)o2)c1 7883637 HIVQISLKRMWGRN-UHFFFAOYSA-N 323.377 4.479 0 40 DIAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(C)c(C)c1 7945781 QGMJUULSCCCPQD-UHFFFAOYSA-N 324.468 4.075 0 40 DIAB COc1cc2c(cc1/C=C1/C(=O)N(C)c3ccccc31)CCCC2 8091814 CYBRSBHGTZBIBI-LDADJPATSA-N 319.404 4.091 0 40 DIAB CC(C)(C)c1nnc2sc(Cc3cccc4ccccc34)nn12 8706365 KEUFVZALUIIOAY-UHFFFAOYSA-N 322.437 4.227 0 40 DIAB CCOc1ccc(NC(=O)CCSc2ccccc2F)cc1 12821578 CZZASRGNGSAUHD-UHFFFAOYSA-N 319.401 4.345 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1Cl 15656595 BNSYPLSRVIEOTH-NSHDSACASA-N 321.829 4.468 0 40 DIAB CCOCCCNC(=O)c1cc2sc3ccccc3c2s1 17401789 FDOZIVKMAZHVQK-UHFFFAOYSA-N 319.451 4.272 0 40 DIAB COc1ccc([C@H](NC(=O)c2ccc(C)cc2C)C(C)C)cc1 19310817 TZGNCQFBYFPORG-LJQANCHMSA-N 311.425 4.439 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2ccccc2C1 20486730 JDSFTSUPGMNKTQ-HXUWFJFHSA-N 323.436 4.046 0 40 DIAB CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 21203793 DNLNBBFQDZTFCU-HNNXBMFYSA-N 312.800 4.089 0 40 DIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 30757352 ZSEJAGGSKSIRGD-CQSZACIVSA-N 306.818 4.244 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccc2cc(OC)ccc2n1 31614190 REDZAFIPGBJBCJ-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2cccc3cccnc23)C1(C)C 32076162 WGKRKUILWWALSA-ROUUACIJSA-N 322.452 4.132 0 40 DIAB Cc1cccc(Cn2cc(NC(=O)CCC3CCCC3)cn2)c1 32610065 ZLQGKDOBPNGOAF-UHFFFAOYSA-N 311.429 4.149 0 40 DIAB Cc1ccc([C@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 32983770 HLKRTCSLOAQKGI-OAQYLSRUSA-N 319.404 4.426 0 40 DIAB CN(Cc1ccc(Cl)s1)C(=O)c1cccc(Cl)c1 40162156 YLAFDZFCXYGHKX-UHFFFAOYSA-N 300.210 4.327 0 40 DIAB O=C(O)c1ccc(F)c(-c2ccc(F)c(C(F)(F)F)c2)c1 65354856 QDQPDYMSGQPAPN-UHFFFAOYSA-N 302.198 4.349 0 40 DIAB Cc1ccc(C(=O)C2CCN(C/C(Cl)=C/Cl)CC2)cc1 78971074 SGMIRSWKSFAYIH-GDNBJRDFSA-N 312.240 4.209 0 40 DIAB Cc1c(COC(C)C)cccc1NCc1nnsc1Cl 89116869 AYVOUQCRJTWVHS-UHFFFAOYSA-N 311.838 4.037 0 40 DIAB Cc1cc([C@H](C)NC(=O)c2ccnc3ccccc23)c(C)s1 95349608 KFUJUXLQFMICJO-LBPRGKRZSA-N 310.422 4.404 0 40 DIAB Cc1c(Cl)cccc1Nc1c(N)oc(=O)c2ccccc12 101425612 DDMRLTIZAFWFAO-UHFFFAOYSA-N 300.745 4.081 0 40 DIAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C1CCC1 127288440 JNWUUBJLLHLEQU-UHFFFAOYSA-N 307.109 4.451 0 40 DIAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCC2 223252106 VKGNIZRUYXSQIL-AWEZNQCLSA-N 311.400 4.124 0 40 DIAB Cc1ccc(O[C@H](Cc2cccc3ccccc23)C(=O)O)cc1 225047887 PIKRJCPIEZOBPI-LJQANCHMSA-N 306.361 4.223 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1 226273499 DSOJBVWJJIYLBM-CQSZACIVSA-N 313.397 4.171 0 40 DIAB Cc1cc(Br)ccc1C(=O)COCc1ccccc1 310013123 LTFOYEVBWPMGHD-UHFFFAOYSA-N 319.198 4.157 0 40 DIAB S=C(NCc1ccco1)c1cccc(OCc2ccccc2)c1 408573780 OFICINIZPBTLOS-UHFFFAOYSA-N 323.417 4.324 0 40 DIAB COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1 409115694 NMVQECSNKLGXJO-PDGQHHTCSA-N 307.393 4.238 0 40 DIAB CCN(CC)CCOc1cc(F)ccc1Oc1ccccc1 585265348 MLCOXBAOESDBHG-UHFFFAOYSA-N 303.377 4.339 0 40 DIAB CC[C@H](C(=O)NCC(c1ccco1)c1ccco1)c1ccccc1 669520502 VLNTVFKYDLSJML-INIZCTEOSA-N 323.392 4.315 0 40 DIAB Nc1nnc(-c2ccccc2SCc2ccc(F)cc2)s1 510328 AGFSMJMYYRSZQM-UHFFFAOYSA-N 317.414 4.219 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2Br)c(C)c1 557929 VECFOTMEKXDGMY-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1913909 OALPAQDTMDFWKO-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)C2CCCCC2)cc1 2065830 JCHURNQFILFHTJ-UHFFFAOYSA-N 304.386 4.129 0 40 DIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 2661286 RHCFNTITLQSYKP-IBGZPJMESA-N 324.424 4.351 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1 3515810 UBQHDBIWGUCNSF-CYBMUJFWSA-N 324.405 4.409 0 40 DIAB CN(C)CCCCNc1c2c(nc3c(Cl)cccc13)CCC2 4804343 CHRPRVJFIUPQCD-UHFFFAOYSA-N 317.864 4.131 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc2ccccc2[nH]1 4945621 HWFORRBCCONYLK-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CC1 5559071 VTKRGLAXHFWHRB-UHFFFAOYSA-N 310.378 4.437 0 40 DIAB OC[C@@H](O)COCCCCCCCCCCC[C@H]1C=CCC1 5600367 NRDAUYPIWGKTAJ-RBUKOAKNSA-N 312.494 4.223 0 40 DIAB CCCc1cc(=O)[nH]c(Nc2ccc(Nc3ccccc3)cc2)n1 5625391 ZUQJTZGBNOCRDT-UHFFFAOYSA-N 320.396 4.210 0 40 DIAB O=C(O)c1ccccc1N(C(=O)c1cccs1)c1ccccc1 5900726 LDIXSBHOSYNUJK-UHFFFAOYSA-N 323.373 4.425 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)Nc2ccc(F)cc2)C1 6754894 CXUBYVJUPMZQOF-RHSMWYFYSA-N 306.450 4.423 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 7223223 URHMQCPDZUAEKS-NSHDSACASA-N 306.768 4.227 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 7559291 OWVJJGURXHUIBW-UWVGGRQHSA-N 300.830 4.154 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 7991273 KPJXVODWPNPRQB-HTOAHKCRSA-N 315.463 4.089 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2ccccc2C)c(OC)c1 8326720 VIPRRTMDNXRHKF-INIZCTEOSA-N 313.441 4.471 0 40 DIAB O=C(Nc1cccc2cccnc12)c1ccc2ncsc2c1 10783013 IQSOLKMDVPYECD-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB CC(C)c1ccc(O[C@H](C(=O)O)C(C)C)c(Br)c1 11891640 FAPARIXBAXREGH-ZDUSSCGKSA-N 315.207 4.061 0 40 DIAB Cc1nc(NC(=O)c2ccccc2SC(F)F)sc1C 12921679 ZFRQPIJTKMWYIN-UHFFFAOYSA-N 314.382 4.327 0 40 DIAB Cc1cc(C)cc(OCCN(C)C(=O)c2cc3ccccc3o2)c1 12977424 HIJZRQKAGFABQJ-UHFFFAOYSA-N 323.392 4.201 0 40 DIAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1 13136929 GBAHPMMVENBPNR-MJBXVCDLSA-N 309.837 4.148 0 40 DIAB O=C(/C=C/c1ccsc1)NCc1ccc(C(F)(F)F)cc1 16301728 QQOFCVXUTNPWFK-ZZXKWVIFSA-N 311.328 4.097 0 40 DIAB CC(CNC(=O)[C@@H]1CC=CCC1)(c1ccccc1)c1ccccc1 21669816 MUCLXMMZVVRVHY-GOSISDBHSA-N 319.448 4.465 0 40 DIAB CC(C)(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 25034386 WZIXDFKQJSUBHY-IBGZPJMESA-N 321.424 4.205 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(OC)cc1 25513230 ZZDFVLAWICTKCK-CECLQJIQSA-N 309.409 4.284 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3cc(C)cc(C)c3)cc2c1 29699639 MJHQLKVEOKPYJQ-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 32720201 GDCGIJPZHXBFGC-WOSRLPQWSA-N 312.413 4.205 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2ccccc2Br)c1 38756604 GYHZUKDQLZEZFK-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccccc1)C1CC1 48263264 ISPMJNUJOJTMKL-HNNXBMFYSA-N 314.454 4.456 0 40 DIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)Nc1ccccc1F 48341557 AYRAZURRBPORLC-NSHDSACASA-N 306.768 4.232 0 40 DIAB Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)no1 49992036 VYZWIFWTJGYSAE-UHFFFAOYSA-N 314.385 4.048 0 40 DIAB CCN(C(=O)N[C@H](C)CCc1ccc(OC)cc1)[C@H](C)C(C)C 58168966 DOAXDFABNOUSBZ-HZPDHXFCSA-N 320.477 4.092 0 40 DIAB COCc1nc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cs1 65042813 QBYMFWJZLUHBNG-UHFFFAOYSA-N 319.426 4.115 0 40 DIAB Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3cccs3)cc2n1 69491180 DZHAVOFJMAIAHY-NSHDSACASA-N 300.383 4.031 0 40 DIAB COCCCSc1ccc(NCc2scnc2C)cc1 95429112 HAIYXHJZAMDQRZ-UHFFFAOYSA-N 308.472 4.192 0 40 DIAB Cc1[nH]nc(C(F)F)c1NC(=O)N[C@@H](c1ccccc1)C(C)C 95460788 HHKXFYLHLWZLKX-GFCCVEGCSA-N 322.359 4.175 0 40 DIAB CC(C)(C)[C@H](N[C@H]1CCN2CCC[C@@H]2C1)c1ccc(F)cc1 95972013 WIJOYLPNTPBLHK-RCCFBDPRSA-N 304.453 4.129 0 40 DIAB C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 223257457 QSCQBJGYIAIWKP-GFCCVEGCSA-N 314.429 4.362 0 40 DIAB COCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 224397058 SBIJFALFTKCBQV-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637232 GNPHZALVPCVCAE-AUUYWEPGSA-N 319.445 4.318 0 40 DIAB CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)cc1)C1CC1 225670743 JUTOEVBOSUDHLB-SFHVURJKSA-N 305.418 4.008 0 40 DIAB Cc1ccc(-c2cnc3n2CC2(CCN(CC(C)C)CC2)C3)cc1 306126785 FFGLRTINFSCOOS-UHFFFAOYSA-N 323.484 4.153 0 40 DIAB O=C(c1cc2ccccc2s1)N1CCC2(CC1)CC2(F)F 650601255 GLEDGTINNCLIIA-UHFFFAOYSA-N 307.365 4.163 0 40 DIAB CC(C)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccsc1 1888967303 CWQHHVUPJLNVAL-UHFFFAOYSA-N 317.498 4.358 0 40 DIAB CCOC(=O)c1nc(Nc2ccccc2CC)c2ccccc2n1 145887 POELJDNKRGMHKU-UHFFFAOYSA-N 321.380 4.113 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 282050 BKXKLYYNVPWYHJ-SNVBAGLBSA-N 316.228 4.210 0 40 DIAB CSc1ncc(C)c(Nc2ccc(Br)cc2)n1 1679407 QXINELFLEARLPV-UHFFFAOYSA-N 310.220 4.013 0 40 DIAB CCN(CC)CC(C)(C)[C@@H](O)c1ccc(OC)c2ccccc12 2041971 CFLLSOPLOOHFGY-IBGZPJMESA-N 315.457 4.250 0 40 DIAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1C 3445794 PKHDGRDMQXGBQK-ZHACJKMWSA-N 318.376 4.254 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3548843 LGMKCGOABXSMRU-LLVKDONJSA-N 321.829 4.468 0 40 DIAB O=C(CCSc1ccc(F)cc1)Nc1ccc(F)cc1F 3561544 PPSXAVZNCNSDQP-UHFFFAOYSA-N 311.328 4.225 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3566046 PZHIVELVMCIYCI-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CCCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4026291 PXYJMKXLGSFPLG-QDSNELGPSA-N 308.462 4.363 0 40 DIAB CCCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 4054448 XFJMYVIQQRIHKS-UHFFFAOYSA-N 314.395 4.408 0 40 DIAB CCCCC(=O)Nc1nc2c(Br)cccc2s1 4348578 DDGVARDSCDFVEL-UHFFFAOYSA-N 313.220 4.188 0 40 DIAB O=S(=O)(c1ccccc1)c1ccc(Oc2ccccc2)cc1 5279507 CSWLPMHPPCPQHC-UHFFFAOYSA-N 310.374 4.312 0 40 DIAB CC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 5557497 NJBFIFPHJBDITA-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 6078766 NXRKPLDEGXVHRT-UHFFFAOYSA-N 312.800 4.472 0 40 DIAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1Cl 7191729 MLBWDBQFLSAMPB-UHFFFAOYSA-N 322.817 4.211 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)CSc1ccccn1 7699852 LEDOMAHWQWJEBT-ZDUSSCGKSA-N 300.427 4.326 0 40 DIAB CCc1cccc(C)c1NC(=O)CNc1ccc(Cl)cc1F 7972694 KLIPFYLATJNMAE-UHFFFAOYSA-N 320.795 4.401 0 40 DIAB CCC(C)(C)NCC(=O)N(c1ccccc1)C1CCCCC1 8394608 PTVFCNXLKNBBNM-UHFFFAOYSA-N 302.462 4.131 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)no1 8570177 BWGBWOYGCJGEBT-UHFFFAOYSA-N 314.732 4.034 0 40 DIAB CCOc1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8713985 OXNFMHWGFLOBSH-ZDUSSCGKSA-N 314.429 4.022 0 40 DIAB CCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 9426175 MRQLZAIAYBDFAS-UHFFFAOYSA-N 307.353 4.142 0 40 DIAB Cc1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1 13691578 YPQVSLBGQPMGFN-VAWYXSNFSA-N 318.405 4.332 0 40 DIAB Cn1c(-c2ccc(Cl)cc2)cs/c1=N\Cc1ccco1 16804928 KUCSZCKFRZVDEQ-ICFOKQHNSA-N 304.802 4.101 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccccc1 20039607 KPRXFHBRVCRRKF-QZTJIDSGSA-N 311.425 4.420 0 40 DIAB CN(C(=O)c1cccc(OCc2ccccc2)c1)C1CCCC1 20048538 ZPHJWELZWKMMNL-UHFFFAOYSA-N 309.409 4.280 0 40 DIAB CC1CCC(N(C)CC(=O)Nc2cccc3ccccc23)CC1 39978295 MSBSSSGEUXEOJS-UHFFFAOYSA-N 310.441 4.289 0 40 DIAB Nc1nc(Cl)cc(N2CCC[C@@H]2c2cccc3ccccc23)n1 57148560 OMMRFNQAWFTVNY-OAHLLOKOSA-N 324.815 4.207 0 40 DIAB CCOC(=O)c1cccnc1/C=C/c1cccc(C(F)(F)F)c1 58304737 SNKFDMZTQPOKQU-CMDGGOBGSA-N 321.298 4.448 0 40 DIAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(OC)cc1 65584771 HZTHPKPUCVKJNT-QGZVFWFLSA-N 313.401 4.095 0 40 DIAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)cc1 65590360 GFISPDOQKZNPOM-INIZCTEOSA-N 301.365 4.226 0 40 DIAB Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N1CCCC1 72218789 YPUPGRWSEBXAJS-FQEVSTJZSA-N 321.468 4.327 0 40 DIAB O=C(CSCc1ccccc1F)NCCC1=CCCCC1 78582119 XOBBZUSJMNTKFJ-UHFFFAOYSA-N 307.434 4.066 0 40 DIAB Cc1ccc(CN(C(=O)N[C@H](C)c2ncc(C)s2)C(C)C)o1 79081408 MFTZNSALGYUHEM-CYBMUJFWSA-N 321.446 4.034 0 40 DIAB CCCc1noc(CNc2ccc(Oc3ccc(C)cn3)cc2)n1 79097296 JXIOKUUCDHQHHF-UHFFFAOYSA-N 324.384 4.130 0 40 DIAB Cc1cc(N2CCCC[C@@H]2CC(C)C)nc(-c2ccncc2)n1 79097912 LWMUUFMDCFTYTK-QGZVFWFLSA-N 310.445 4.252 0 40 DIAB Cc1ccc(CNc2cccc(CN3CCCCC3=O)c2)s1 89656612 HLXJOWXFGVOWRB-UHFFFAOYSA-N 314.454 4.181 0 40 DIAB Cc1nnc(CSCCCOc2cccc3ccccc23)o1 95412894 SJZQZXQPZWNRQT-UHFFFAOYSA-N 314.410 4.234 0 40 DIAB Cn1c(COc2cccc3ccccc23)nnc1-c1ccccc1 95445282 ODQIFNHTGDFPTG-UHFFFAOYSA-N 315.376 4.214 0 40 DIAB COc1ccc2c(c1)CCCCN2C(=O)c1ccccc1Cl 95451990 LHVVBUMMAUSQIZ-UHFFFAOYSA-N 315.800 4.332 0 40 DIAB CC(=O)c1csc(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 95951111 OICHQSIEJDGPPX-GFCCVEGCSA-N 301.411 4.092 0 40 DIAB CC[C@@H](C)NC(=O)Nc1cccc(CSC2CCOCC2)c1 96407993 NOOMWEICCUOSCU-CYBMUJFWSA-N 322.474 4.019 0 40 DIAB O=C(CNc1cccc2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 96969204 FIEGSPUWQRHVFU-PXNSSMCTSA-N 322.452 4.433 0 40 DIAB FC(F)(F)C(Oc1ccccc1Br)C(F)(F)F 98210654 VJQICEVCMPUHCV-UHFFFAOYSA-N 323.030 4.321 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4ccc(Br)cc4)[C@@H]1CC[C@]23C 101078257 SQKXZXNUXWFJFG-SLBVQIDZSA-N 320.230 4.214 0 40 DIAB O=C(CC(=O)c1ccccc1O)c1ccc(Cl)c(Cl)c1 113704378 NSAIEBLEYABZDC-UHFFFAOYSA-N 309.148 4.155 0 40 DIAB CCCCOc1ncc(NC(=O)[C@@](C)(CCCC)OC)cc1C 225886106 FCROIXPPUJVZSG-GOSISDBHSA-N 322.449 4.103 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)C[C@H](O)CC[C@@]34C)[C@@H]1CCC2=O 253617317 IBAJBHMZVIYPNR-QMBFBYQJSA-N 304.474 4.349 0 40 DIAB Cc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409128544 PKEYCBLGAQBLMQ-NTEUORMPSA-N 305.399 4.205 0 40 DIAB CSc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1 11025 FYXJNIGRTLZKGK-UHFFFAOYSA-N 313.466 4.452 0 40 DIAB Cc1ccc2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 852577 VLNFMIQUEXVQHF-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB COC(=O)c1ccccc1NC(=O)Nc1cccc2ccccc12 5526467 SXIFEPUCWZWGJB-UHFFFAOYSA-N 320.348 4.270 0 40 DIAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCC1 5578364 JONMASNPWRSSAM-UHFFFAOYSA-N 312.438 4.428 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2F)cc1OCC 6138858 FINADUNTJRYSMB-UHFFFAOYSA-N 317.360 4.266 0 40 DIAB COc1ccc(OC)c(NC(=O)C2CCC(C(C)(C)C)CC2)c1 6396026 YNHBSEKVLOJWMQ-UHFFFAOYSA-N 319.445 4.495 0 40 DIAB Cc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112582 MAHIJSQRGXDNLB-IBGZPJMESA-N 318.376 4.355 0 40 DIAB COc1ccc(Cl)cc1NC(=O)C(C)(C)c1ccccc1 7655640 WWRJFDAHHGBZHB-UHFFFAOYSA-N 303.789 4.265 0 40 DIAB C[C@@H]1CCCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 8240931 ONPQALJMKAHUAE-CQSZACIVSA-N 307.393 4.387 0 40 DIAB O=C1NC2=C(CCc3ccccc32)[C@H](c2ccccc2Cl)N1 9356874 MPSVCBXKYMDXDB-KRWDZBQOSA-N 310.784 4.051 0 40 DIAB COc1ccc(C)cc1NC(=O)CCc1ccc(Cl)cc1 10410002 ZIFUYWFZSDHCLA-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1nccs1 11666864 RWMBPXWXMUBJLE-UHFFFAOYSA-N 316.357 4.114 0 40 DIAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1cccs1 12779336 RURRBMJZWXVDMT-CYBMUJFWSA-N 311.406 4.158 0 40 DIAB CC(=O)N1c2ccc(-c3cc4c(C)cccn4c3)cc2C[C@@H]1C 13227670 HDBYIAXCUMCTAB-AWEZNQCLSA-N 304.393 4.212 0 40 DIAB CCOc1ccc2nc(Cl)c(CNC3CCCC3)cc2c1 13534779 YIUQQAGTXHJHMO-UHFFFAOYSA-N 304.821 4.319 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2)c1 14573661 NUVGYTPTHCHQPX-CQSZACIVSA-N 317.816 4.213 0 40 DIAB CC(C)c1nnc(S)n1-c1cc(C(F)(F)F)ccc1Cl 15107822 ABCSMBHESWYCIE-UHFFFAOYSA-N 321.755 4.352 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N2CCCc3cc(C)ccc32)c1 23689609 LXHARLVZTZFIDT-INIZCTEOSA-N 309.409 4.050 0 40 DIAB Cc1ccc(CCC(=O)Nc2cc(F)ccc2F)cc1Cl 24689852 XWAUUYCXDRXFSD-UHFFFAOYSA-N 309.743 4.498 0 40 DIAB CC(C)c1ccc([C@H](NC(=O)C2CCOCC2)C(C)C)cc1 26393060 FMUDYQGIEZEZNR-GOSISDBHSA-N 303.446 4.050 0 40 DIAB CCCNC(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 32883828 WAFCDFOUZHPJHT-SNVBAGLBSA-N 324.833 4.002 0 40 DIAB Cc1ccc(NC(=O)CCNc2ccccc2C)c(Cl)c1 32999428 GPIIZENGDBNNQJ-UHFFFAOYSA-N 302.805 4.398 0 40 DIAB Cc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1 35646924 NRRVHFPEMBXKMQ-JYRVWZFOSA-N 318.785 4.133 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)c1cncc2ccccc12 45028877 IVFGSPGYKBMXNO-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB CCN(C(=O)/C=C/c1nc2ccccc2o1)c1cccc(F)c1 45515424 GPCYOQIPGNRXRE-ZHACJKMWSA-N 310.328 4.033 0 40 DIAB c1ccc2cc(OCCNc3ncnc4ccccc34)ccc2c1 48234990 KZCPPLUPSZMBIB-UHFFFAOYSA-N 315.376 4.274 0 40 DIAB CC(C)N(Cc1ccccc1)Cc1csc(-c2ncccn2)n1 51649239 CLGACXAMGSNNGE-UHFFFAOYSA-N 324.453 4.011 0 40 DIAB CSc1cccc(NC(=S)Nc2cc(F)ccc2F)c1 71761345 YDZHLBSBHYQRCU-UHFFFAOYSA-N 310.394 4.496 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1NC1CCC1 72213895 FXGAZYDDYREIRE-OAHLLOKOSA-N 317.433 4.118 0 40 DIAB CC(C)=CCSc1ccccc1C(=O)NCc1cscn1 76020773 NCUYGBRBPPULFU-UHFFFAOYSA-N 318.467 4.131 0 40 DIAB Brc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)cc1 85394463 BJTQABVGRQECFZ-RDJZCZTQSA-N 316.242 4.342 0 40 DIAB C[C@H](NC1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)(F)F 90966307 KDEZORRRYXAKHW-UTUOFQBUSA-N 317.351 4.192 0 40 DIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CC(F)(F)F 95440403 PFKSYEBKSMDCSG-VIFPVBQESA-N 308.369 4.047 0 40 DIAB CC(C)CN(O)C(=O)OCC1c2ccccc2-c2ccccc21 95627589 ZDUUNKVVLDCTTC-UHFFFAOYSA-N 311.381 4.283 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1ccc(F)c(F)c1F 96171169 XBOKWUGSFIMUCX-UHFFFAOYSA-N 305.299 4.235 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C 109044290 CDWKJPACYVRXMX-SZVBFZGTSA-N 316.489 4.058 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)N[C@H](C)Cc1ccoc1 206662927 SUOFVNRISRZNJB-CQSZACIVSA-N 323.392 4.193 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC1CCCCCCC1 216278151 DJRJAVUYMJZERF-GOSISDBHSA-N 303.446 4.382 0 40 DIAB Cc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222578894 SHDBRKXWKKZYDA-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCC)c(C)c1 225896824 HACMAZICCNDKJA-GOSISDBHSA-N 322.449 4.103 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C)cc1 408595293 LXYCAZSUUAKGGI-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O=Cc1ccc(-c2ccc(C(=O)OCc3cccc(F)c3)cc2)o1 409182845 OOYRJTMPZPVBMU-UHFFFAOYSA-N 324.307 4.255 0 40 DIAB CCc1ccc(OCc2nnc(SCC(C)C)n2CC)cc1 419167 LJMSMOKRHSBUJH-UHFFFAOYSA-N 319.474 4.188 0 40 DIAB Cc1ccc(Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1 819494 WORQHMTVOPUIRG-UHFFFAOYSA-N 315.442 4.067 0 40 DIAB CN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932752 QJMFHXJUNNSTDD-UHFFFAOYSA-N 318.785 4.333 0 40 DIAB Cc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1 1394146 KHAMPGANHJUYBL-UHFFFAOYSA-N 308.337 4.399 0 40 DIAB O=C(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 2557109 LLJNTLUXOZPFQB-UHFFFAOYSA-N 322.310 4.427 0 40 DIAB COc1ccc(C(=O)COc2cccc3ccccc23)c(OC)c1 2649714 GKFQZNNRZXDYAW-UHFFFAOYSA-N 322.360 4.119 0 40 DIAB CCC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)cs1 3453974 LTTNBHPXQFPEDP-LBPRGKRZSA-N 320.483 4.207 0 40 DIAB O=c1oc(/C=C/c2cccs2)nc2sc3c(c12)CCCC3 4121857 LPWKMWIDDXVTBP-BQYQJAHWSA-N 315.419 4.360 0 40 DIAB CCCCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 6016326 XRQZXBAWFFSIET-UHFFFAOYSA-N 308.472 4.190 0 40 DIAB CC[C@@H](C)NC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 6319416 ZPPJEMYMMDUINI-CQSZACIVSA-N 316.470 4.167 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(F)c2)c1 8371112 YYICDCHEEUGEIR-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB O=C(Oc1ccc(-c2nnco2)cc1)c1cc2ccccc2s1 9114195 BLXSOAGSFGIKOO-UHFFFAOYSA-N 322.345 4.171 0 40 DIAB CC(C)[C@H](NC(=O)NCCc1ccco1)c1ccc(Cl)cc1 9977179 BOFOLBWMAJFJCT-INIZCTEOSA-N 320.820 4.172 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCc2ccccc21 13021482 ZJEBCCUBXCKLEW-HXUWFJFHSA-N 301.389 4.186 0 40 DIAB Fc1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1 13683649 RVIHTEFMFLOGHF-DHZHZOJOSA-N 322.368 4.162 0 40 DIAB Cc1nc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cs1 14075639 KZJQAHLMPAHUJI-HWKANZROSA-N 313.209 4.410 0 40 DIAB COc1ccccc1C(=O)N(c1ccccc1)c1nc(C)cs1 14586805 ALZYFQCSUOMPCA-UHFFFAOYSA-N 324.405 4.439 0 40 DIAB Cc1ccc(C(=O)CCC(=O)NCCC2=CCCCC2)cc1C 14941570 DLNBPBSKRRWKGZ-UHFFFAOYSA-N 313.441 4.273 0 40 DIAB COc1cccc(NC(=O)c2c(C)oc3ccc(OC)cc23)c1 15880499 CTAOUFQQUHYYKN-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB biogenic CCCCOc1cccc(C(=O)Nc2ccc(Cl)c(N)c2)c1 19736528 CGPOZUIQMCXMFQ-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB COc1cc(F)ccc1NC(=O)c1cc2c(F)cccc2s1 23132651 PJIVNCDCCSNZAS-UHFFFAOYSA-N 319.332 4.440 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1 26203773 MHOCZJKHOPSOMM-VQIMIIECSA-N 311.425 4.338 0 40 DIAB O=C(CCC(=O)c1ccccc1)Nc1cccc2ccccc12 26939844 OLZNOSTWPDUZMG-UHFFFAOYSA-N 303.361 4.441 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)o2)c(C)c1 28221309 NUEOJFOBXQNXSH-LLVKDONJSA-N 322.202 4.150 0 40 DIAB O=C1c2ccccc2CC[C@H]1Sc1noc(-c2ccccc2)n1 28527281 WBFAJKAHBIDTIO-OAHLLOKOSA-N 322.389 4.026 0 40 DIAB FC(F)(F)c1ccc(CNc2ncnc3ccccc23)cc1 31949119 QSVIIVXZAWCXSR-UHFFFAOYSA-N 303.287 4.261 0 40 DIAB O=C(NCC1(c2cccs2)CCCC1)Nc1ccccc1 38489649 FZDJETXGKFEQKC-UHFFFAOYSA-N 300.427 4.382 0 40 DIAB Cc1cc(N2CCCc3ccccc32)ncc1Br 42783509 FZWLHTLPQMYTSG-UHFFFAOYSA-N 303.203 4.237 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@H]2CCCC[C@@H]2C1 43162315 ZCQSAVUMBZLUAE-GDBMZVCRSA-N 309.413 4.279 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 44681103 GPFVBJYXFRIOFB-UMGGQSCQSA-N 316.441 4.396 0 40 DIAB biogenic,in-vitro Clc1cccc(N2CCN(C3=Cc4ccccc4CC3)CC2)c1 55145577 AAMNKQJJOSEMRT-UHFFFAOYSA-N 324.855 4.449 0 40 DIAB CSc1nc(O)c2scc(-c3cccc(Cl)c3)c2n1 62591986 BFCRYDKLKSXWID-UHFFFAOYSA-N 308.815 4.439 0 40 DIAB COC(=O)Nc1ccc(CN[C@H](C)c2ccc(Cl)s2)cc1 95420439 QKIBAABBDWFCEH-SNVBAGLBSA-N 324.833 4.431 0 40 DIAB CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1CC[C@]13C[C@@H](CC[C@H]21)[C@@](C)(O)C3 100145137 YVJJGMPQYRNACB-VBXVDEENSA-N 306.490 4.141 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)c(C)c1 113969427 VLETXZRQFAHSPI-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB Cc1ccc(C)c(CC(=O)NCc2cccc(C(F)(F)F)c2)c1 223316884 RRHUMWXESJEVIC-UHFFFAOYSA-N 321.342 4.181 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1C 224433445 DKZKYAYHSWOERM-DLBZAZTESA-N 305.462 4.485 0 40 DIAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(C)cc1Cl 225001799 JPUNCLGNENVRLV-HNNXBMFYSA-N 322.880 4.033 0 40 DIAB CC(C)CCc1ccc(C(=O)O)n1Cc1ccc(Cl)cc1 226025407 XVIJTVIAMJMJQW-UHFFFAOYSA-N 305.805 4.477 0 40 DIAB C[C@@H](NC[C@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl 585118325 KKMSTLVSZCSZFC-RKDXNWHRSA-N 324.799 4.158 0 40 DIAB CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 341532 ZBEFMLZLSITOMG-UHFFFAOYSA-N 319.191 4.255 0 40 DIAB COc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 444211 HUIDUFOUHJDXOC-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1ccc(Br)cc1 2181349 WLIJJWRKIZRSAT-LBPRGKRZSA-N 312.251 4.395 0 40 DIAB O=C(CN1CCCCCCC1)Nc1cccc(Cl)c1Cl 3453089 CIBWNMXBMMCBRR-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB O=C(CSc1c[nH]c2ccccc12)Nc1cccc(F)c1 4108462 LJJQSNLYQFNGCH-UHFFFAOYSA-N 300.358 4.038 0 40 DIAB COC(=O)c1ccc(CSC2=Nc3ccccc3CS2)o1 5297452 KPVDOHBJOPRMBU-UHFFFAOYSA-N 319.407 4.234 0 40 DIAB O=C(NC1CCCC1)c1ccc(-c2nc3ccccc3s2)o1 7951008 XKSQDZFGBJNSMJ-UHFFFAOYSA-N 312.394 4.229 0 40 DIAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2o1 9134764 LKWDHMFKMBSRMJ-ZDUSSCGKSA-N 318.376 4.275 0 40 DIAB COCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 12887432 FWCTZKNEOYTIKS-UHFFFAOYSA-N 301.411 4.040 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1 20451417 ALELEQZRHZFYQG-CQSZACIVSA-N 315.438 4.431 0 40 DIAB C[C@@H]1CCc2onc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C1 20572135 NLNDFTAZKRKAEJ-SECBINFHSA-N 324.302 4.071 0 40 DIAB COc1ccc(OC(=O)c2cc3cc(C)ccc3nc2C)cc1 22019723 KUHSNIQKQFJWMY-UHFFFAOYSA-N 307.349 4.079 0 40 DIAB CCN(CC)CCNCc1ccc(-c2cccc(Cl)c2)o1 22076599 VTATUWBJRFHPJP-UHFFFAOYSA-N 306.837 4.031 0 40 DIAB Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccccc2)cc1 23683857 STNXKKIRFAHHBK-JOCHJYFZSA-N 315.416 4.443 0 40 DIAB CC(=O)c1cccc(N[C@H](C)C(=O)c2c[nH]c3ccccc23)c1 25051069 MFWPPOFDBBFYKS-GFCCVEGCSA-N 306.365 4.054 0 40 DIAB O=C(C[C@@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 26905894 IOCNLHFTIWBOHS-UYAOXDASSA-N 305.421 4.443 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1C 27583482 CFPSRGNFACNSOF-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB C[C@H](Sc1nc2ccccc2o1)c1nc(-c2ccco2)no1 29738103 QQFQVVJDLGZUHO-VIFPVBQESA-N 313.338 4.324 0 40 DIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(F)cc1Cl 31588039 PMAVDSBGMINMMM-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)CCc1cccs1 32678643 PNYSLPBAGJEQDS-UHFFFAOYSA-N 313.875 4.444 0 40 DIAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3cccs3)cs2)o1 32922827 SRCOLRWKMPHFRB-JTQLQIEISA-N 318.423 4.264 0 40 DIAB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2C/C=C1\CCOC1=O 33831303 MBPTXJNHCBXMBP-SDIIOJARSA-N 318.457 4.261 0 40 DIAB biogenic,in-vitro COc1ccc([C@H](CC(C)C)NC(=O)c2cccs2)cc1 38753998 AGKOKXRSOINJSA-HNNXBMFYSA-N 303.427 4.274 0 40 DIAB O=c1n(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccc1 39930521 ODYFNEZFPKKHPA-UHFFFAOYSA-N 312.372 4.295 0 40 DIAB Cc1cccc(NCc2ccc(O)c(Br)c2)c1C 57997921 DEPNLAPAFDAFNP-UHFFFAOYSA-N 306.203 4.384 0 40 DIAB Cc1ccc([C@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)s1 71908105 CDQOWQJOHBHSSB-MFKMUULPSA-N 318.269 4.304 0 40 DIAB Cc1cc([C@H](O)c2ccccc2)cnc1N(C)c1ccccc1 72222306 ATANZASDFKJSGE-LJQANCHMSA-N 304.393 4.240 0 40 DIAB C[C@H]1CN(c2ccccc2CNc2ccc(F)cc2)C[C@@H](C)O1 89936857 OFTDESNYWQFRMO-GASCZTMLSA-N 314.404 4.051 0 40 DIAB COc1cc(C(F)(F)F)nc2c(Br)cccc12 96171798 PJCDGKLNBRZRGP-UHFFFAOYSA-N 306.081 4.025 0 40 DIAB C[C@@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)c1ccncc1 100798702 OOHDSUOSEXGDDE-ZTJXZVAYSA-N 312.457 4.255 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104242026 FDWIVGHPYKMNRS-QVXJBWBUSA-N 302.458 4.269 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(F)c1 113969843 SULYDXSKAQRTJJ-KRWDZBQOSA-N 319.351 4.378 0 40 DIAB C[C@H](CCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 178570130 QZRXRMVBISZCCZ-UKRRQHHQSA-N 313.363 4.371 0 40 DIAB CCc1c(-c2cccc(Cl)c2)nn(Cc2ccccc2)c1N 199750479 XMVLZILBRJNVFG-UHFFFAOYSA-N 311.816 4.396 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C 224293717 OZNKRLWOGJMMMU-IAGOWNOFSA-N 305.462 4.403 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1nc2ccccc2s1 575609186 QTKGPALOCFANQE-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB CC(C)CCOc1ccccc1Cn1c(=O)oc2ccccc21 203176 RXDZIUDKYYWITI-UHFFFAOYSA-N 311.381 4.068 0 40 DIAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccccc3)c2C)cc1C 244104 ZEWGYXDQCIZMFZ-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1cccc2sc(NC(=O)c3cc(F)cc(F)c3)nc12 2646043 KYCMOGCGHOSXPL-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB CCC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)CN(C)[C@@H]1C 4594135 HXMYADUYVHAIOZ-SYNHAJSKSA-N 317.473 4.221 0 40 DIAB CC(C)(c1ccc(O)cc1)c1ccc(O)c(Br)c1 4654862 VENULINRALIKKV-UHFFFAOYSA-N 307.187 4.186 0 40 DIAB in-vitro O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1ccccc1Cl 4664598 TVTBAMWCYNLAKW-MAUKXSAKSA-N 310.784 4.457 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 5476429 GAAIKADNMIEDPB-UHFFFAOYSA-N 305.324 4.106 0 40 DIAB O=C(CNc1ccc(Cl)cc1F)Nc1cccc(Cl)c1 5965631 NUDHZHXZTGRTLA-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB CC(=O)Nc1ccc(SCCCC(=O)c2cccs2)cc1 6919758 HFWCYPJZPXYREB-UHFFFAOYSA-N 319.451 4.462 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccccc1F 7571023 BMLUCPACRWEAIM-CYBMUJFWSA-N 302.418 4.133 0 40 DIAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccc(C)o1)C(=O)O3 12223315 RUVWEKDCJKESNL-UHFFFAOYSA-N 322.364 4.268 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)COc1ccc(F)cc1 12783167 VNDFGIKKPPSVCG-UHFFFAOYSA-N 323.367 4.016 0 40 DIAB CC(C)CC[C@H](C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 13005147 CKHXHZKBHYVVKB-SYTKJHMZSA-N 323.820 4.023 0 40 DIAB COc1cccc(NC(=O)Nc2ccc(Br)cc2)c1 13048715 QYRULHQIBFORAB-UHFFFAOYSA-N 321.174 4.102 0 40 DIAB O=C(c1cccc(Cl)c1)N1CCCSc2ccccc21 14244811 SBRJVBCESMNBSH-UHFFFAOYSA-N 303.814 4.483 0 40 DIAB COc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 18177792 MFYBVPIYPMTNIZ-UHFFFAOYSA-N 310.275 4.358 0 40 DIAB CCCCCOc1ccccc1C(=O)Nc1cccc(N)c1C 19736322 RWOGFBYBEPCANW-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccccc2)cc1 23683853 STNXKKIRFAHHBK-QFIPXVFZSA-N 315.416 4.443 0 40 DIAB C[C@@H](Sc1nnc(-c2cccnc2)o1)c1ccc(F)cc1 23893911 DYMIHMNXTYZCKX-SNVBAGLBSA-N 301.346 4.124 0 40 DIAB CCc1ccc(C(=O)[C@H](C)Sc2ncc3ccccn23)cc1 26372045 IOCOYJJBCXTGBL-ZDUSSCGKSA-N 310.422 4.260 0 40 DIAB Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1C 27583538 VHPMTCUEYGEKHU-UHFFFAOYSA-N 306.365 4.235 0 40 DIAB CCCCC(=O)Nc1ccc(Br)c2cccnc12 27930523 WANAJRXOWIROFS-UHFFFAOYSA-N 307.191 4.126 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(C(F)(F)F)cc1 29240662 AIUZGTARJKBDHG-FBOQAHMBSA-N 309.287 4.189 0 40 DIAB O=C(/C=C/c1ccco1)N[C@@H](c1cccs1)C1CCCC1 31806456 LNWYCLNWODOVFY-OAGJVSPASA-N 301.411 4.402 0 40 DIAB CC(C)(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2[nH]1 32465255 ZXFRRLMFBVPEKN-UHFFFAOYSA-N 313.426 4.103 0 40 DIAB Cc1cc(C)c(NC(=O)C2=NO[C@H](c3ccccc3)C2)c(C)c1 40155138 DCKHZRDMYGMXPY-KRWDZBQOSA-N 308.381 4.068 0 40 DIAB COC(=O)c1cc(Nc2cccc(F)c2)c2cccc(C)c2n1 44165800 XQJNNIABVMTWBL-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB CC[C@@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 48301915 NRHUOAWRVOBDDP-IANUHJRKSA-N 319.445 4.046 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(OC)cc(C)cc23)cc1 64874665 FAIQVLGMMUUDHN-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB C[C@H](NCc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1 69845902 IJXTUUWBJQMBTQ-JTQLQIEISA-N 319.817 4.302 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCCc2cccc(F)c21 73784599 YQLAOSJKEBWWGC-UHFFFAOYSA-N 322.339 4.074 0 40 DIAB Cc1ccc(OC2CCN(c3nc4ccccc4o3)CC2)cc1C 84180698 DTEHYFKTOCPBBP-UHFFFAOYSA-N 322.408 4.492 0 40 DIAB CC(C)CSC[C@@H](C)Nc1cccc(Cn2cccn2)c1 95990761 CVZCPYAYBPUNKN-OAHLLOKOSA-N 303.475 4.121 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@@H]1C[C@@H]3CC[C@@H]1C3)OCO2 100226559 WJRFPNFAKYJALO-NFAWXSAZSA-N 315.413 4.133 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@]1(C)CC[C@@H]2O 118914975 DQOPJSFDWXFQLN-JUSAMEGKSA-N 304.474 4.061 0 40 DIAB COC(=O)c1ccc(CN2c3ccccc3C(C)=CC2(C)C)o1 223230309 FIXPJBQCHNFJEC-UHFFFAOYSA-N 311.381 4.268 0 40 DIAB Cc1ccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225093294 AAUVKRXIQSGGTA-OAHLLOKOSA-N 324.298 4.089 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225822759 CWCADZVHZKPGSN-IBGZPJMESA-N 315.413 4.382 0 40 DIAB CCC1(NC(=S)Nc2ccc(F)c(Cl)c2)CCCC1 225856875 IASPVAQHENAZEO-UHFFFAOYSA-N 300.830 4.488 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2cc3cccc(C)c3o2)cc1 226044525 NMVIBOCHDWWETJ-ZDUSSCGKSA-N 309.365 4.241 0 40 DIAB CC1=CCC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2C=C(C)CC1 254306858 BYFVAWVWHDPHGP-OTWHNJEPSA-N 317.473 4.097 0 40 DIAB biogenic CC(C)N(Cc1ccccc1F)C(=O)[C@@H](C)Cc1ccccc1 512488253 GCHWZFKLWWDUMS-INIZCTEOSA-N 313.416 4.442 0 40 DIAB c1ccc(Oc2ccc(NCn3nnc4ccccc43)cc2)cc1 352724 YSEJXJGJTNRBMB-UHFFFAOYSA-N 316.364 4.293 0 40 DIAB CC(=O)Nc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 813388 SNCINWPVLVFPAL-UHFFFAOYSA-N 324.409 4.216 0 40 DIAB Cc1ccc2oc(-c3ccc(Br)o3)cc(=O)c2c1 1933203 XPIZWFASNJALET-UHFFFAOYSA-N 305.127 4.124 0 40 DIAB C[C@@H]1CCc2c(sc3ncn4c(-c5ccccc5)nnc4c23)C1 1939748 HKCPZTILWQZKJB-LLVKDONJSA-N 320.421 4.131 0 40 DIAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1Cl 2069845 AVFNCBBYKDMYGP-NSHDSACASA-N 311.809 4.282 0 40 DIAB CCOC(=O)/C=C(\C)N(Cc1ccccc1)Cc1ccccc1 2686703 QWVGNMVYHMXXQJ-SAPNQHFASA-N 309.409 4.156 0 40 DIAB CC(C)CCNC(=O)CSc1nc(-c2ccccc2)cs1 3453963 MNQDHBASDCQWMJ-UHFFFAOYSA-N 320.483 4.065 0 40 DIAB O=C(CC1CCCC1)Nc1ccc(Br)cc1F 3611574 PGYPKDWYRIVVPB-UHFFFAOYSA-N 300.171 4.107 0 40 DIAB Fc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 3896477 CECLWINCPAKRSB-UHFFFAOYSA-N 310.376 4.280 0 40 DIAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810575 VZECFOSRHIJDMI-UHFFFAOYSA-N 315.756 4.369 0 40 DIAB CN(c1ccc2ccccc2c1)S(=O)(=O)/C=C/c1ccccc1 7403269 WWXYQKMYQSEYPS-BUHFOSPRSA-N 323.417 4.277 0 40 DIAB COc1ccc(-c2cc(C)c3cc4c(cc3n2)OCO4)c(F)c1 7736018 IDACMGJOCKUEBE-UHFFFAOYSA-N 311.312 4.087 0 40 DIAB Cc1cc(OCC(=O)NC2CCCCCC2)cc(C(C)C)c1 8188841 UDOQSHVNRMMOMG-UHFFFAOYSA-N 303.446 4.336 0 40 DIAB C[C@H](NC(=O)c1ccc[nH]c1=S)C12CC3CC(CC(C3)C1)C2 8269794 VYMLYUNWAAZURX-IWERZKIRSA-N 316.470 4.079 0 40 DIAB CC[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 12770575 OQPIEESQVFGLKW-QMMMGPOBSA-N 310.369 4.381 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1ccc(SC(F)F)cc1 12936487 UAINIUKZBPZNJD-UHFFFAOYSA-N 311.328 4.322 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1F 20104582 JPGYVZAFZMVJHY-OAHLLOKOSA-N 305.324 4.069 0 40 DIAB O=c1[nH]c2ccc(NCc3ccc(-c4ccccc4)cc3)cc2[nH]1 20879877 ZKSHQCSZMBIABU-UHFFFAOYSA-N 315.376 4.135 0 40 DIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCC(C)C)c1 22506647 GOJXZZAVPLJQRR-UHFFFAOYSA-N 314.454 4.235 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1 22975997 BXVXPTHBJYKGNA-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2 24578179 GKFCAEMVELSWKU-UHFFFAOYSA-N 319.326 4.124 0 40 DIAB COc1ccc2cc(CN(C)Cc3c(C)noc3C)ccc2c1 28730673 RRFWPDQJWBHBBO-UHFFFAOYSA-N 310.397 4.085 0 40 DIAB C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 30729121 XHGXHTGXZKYMDE-VDBAHQDGSA-N 304.474 4.205 0 40 DIAB biogenic,in-vitro Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 38772174 BBVDUOVHNLXLMN-CQSZACIVSA-N 317.429 4.245 0 40 DIAB Clc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42772926 FCZDRDDIGFLXLG-NSHDSACASA-N 318.642 4.014 0 40 DIAB Cc1ccc([C@@H](CNC(=O)CCC2CCCCC2)N(C)C)cc1 58439831 NRFXYDQSLNUMHU-LJQANCHMSA-N 316.489 4.074 0 40 DIAB CN(C(=O)[C@@H]1CC=CCC1)[C@@H](c1cccc(F)c1)c1ccccn1 69921240 NEIKONAKJJSKLD-BEFAXECRSA-N 324.399 4.125 0 40 DIAB O[C@@H](c1ccccc1)c1ccc(N2CCCc3ccccc32)nc1 72225789 NUNCQQSBXVXKKB-NRFANRHFSA-N 316.404 4.248 0 40 DIAB Nc1c(Cl)cc(Cl)cc1-c1nc2cc(Cl)cnc2o1 78406847 PRJHNFJZQVGWJS-UHFFFAOYSA-N 314.559 4.432 0 40 DIAB O=C(c1cccs1)N1CCC(CSCc2ccco2)CC1 85472445 JOGHFHGXGMADTH-UHFFFAOYSA-N 321.467 4.127 0 40 DIAB Cc1ccccc1-c1nc(CNCc2ccc([C@H]3C[C@H]3C)o2)no1 97164461 HGJOLKKERRFZTB-CJNGLKHVSA-N 323.396 4.051 0 40 DIAB COc1ccc(C(=O)CCc2c[nH]c3ccccc23)cc1OC 199728817 MKPDLEVFZPHGCZ-UHFFFAOYSA-N 309.365 4.001 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=O)Nc2cccc(Cl)c2)cc1 222631260 NXXYSTIJCOUPGC-CYBMUJFWSA-N 318.804 4.237 0 40 DIAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 381844 NXTQCUQHAIPPCL-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1Cl 545527 FURJPTPBFCKTRB-UHFFFAOYSA-N 322.751 4.299 0 40 DIAB O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(F)c(F)c1 2737761 FJAWLSZCSGYILY-FNORWQNLSA-N 311.690 4.409 0 40 DIAB CCN(c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(C)C 3328569 XUZQLMRQNYSREI-UHFFFAOYSA-N 317.820 4.222 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1nc2ccccc2s1 3559692 SHDBCIJGACFEKR-UHFFFAOYSA-N 302.786 4.131 0 40 DIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cc2ccccc2o1 3648552 LSYYJHKULOPOHB-HNNXBMFYSA-N 323.392 4.110 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(F)ccc1F 6627855 RMRXJZMWQDTNGD-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB O=C(Nc1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 6888796 BICXYNHFXLQLJT-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(Cl)c1 6922561 MHIHHWZUNDDNPS-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB CC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1F 8326783 OMDSZNXVWYXLRO-AWEZNQCLSA-N 317.404 4.301 0 40 DIAB COc1ccc(CNC(=O)c2ccccc2SC(C)C)cc1 8479605 OIQZGMMONJVBQB-UHFFFAOYSA-N 315.438 4.126 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)NCCSC1CCCCC1 8480462 SYCKFHCINRWDDQ-QGZVFWFLSA-N 321.486 4.026 0 40 DIAB O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)C1CCCCC1 13108238 LSTQFCLDGQRHFH-UHFFFAOYSA-N 320.396 4.144 0 40 DIAB CC(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)s2)cc1 17206786 CORKPAPOMGVJBS-UHFFFAOYSA-N 313.382 4.174 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C)CC1 20456293 CJOHMSOJPMIXKC-IBGZPJMESA-N 311.425 4.256 0 40 DIAB COc1ccccc1NC(=O)c1cc(C)n(Cc2ccco2)c1C 23296314 ZJNYFAJXFBNYDS-UHFFFAOYSA-N 324.380 4.007 0 40 DIAB COc1cccc2c1N(C(=O)c1ccc(F)cc1Cl)CCC2 30576269 ITTYVRAZHPUVKB-UHFFFAOYSA-N 319.763 4.081 0 40 DIAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(OC(F)(F)F)cc1 31952799 RNSYCWOWAHOJIU-YPMHNXCESA-N 313.319 4.119 0 40 DIAB CC(C)C[C@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 32731123 JNOJJCDLLLZZIJ-KRWDZBQOSA-N 303.352 4.482 0 40 DIAB CC(C)N(CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 32777886 KHEFEYGZOZZCEB-UHFFFAOYSA-N 308.425 4.165 0 40 DIAB C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 41155773 BKOMFMZMQKFJMM-IVKJLDKCSA-N 311.425 4.017 0 40 DIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1cccc2ccccc12 58201009 YHVRJYGDKBWFTC-LBPRGKRZSA-N 322.412 4.073 0 40 DIAB Cc1ccc(-c2noc([C@H](C)N(C)CCC(C)C)n2)cc1F 69350375 VNLKIRSVMHHLQJ-ZDUSSCGKSA-N 305.397 4.223 0 40 DIAB CCCCOc1ccc(C(=O)NCc2cc(C)oc2C)cc1 70640387 RQDCRVLZXHRWCX-UHFFFAOYSA-N 301.386 4.005 0 40 DIAB FC(F)(F)c1cccc(-c2cccc([C@H]3CCCNC3)n2)c1 72348392 LSTAQZDIWJPKQC-ZDUSSCGKSA-N 306.331 4.234 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CC[C@H]1c1ccccc1F 75103801 HFKVPPANJGIGKR-HNNXBMFYSA-N 304.752 4.458 0 40 DIAB CCOC[C@@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 76020947 LIRONJMOSQYXJR-JKSUJKDBSA-N 314.429 4.151 0 40 DIAB Cc1cc(C(=O)c2ccc(Br)cc2C)ccc1F 89064301 UPSJXLBQAHRWIU-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB CC(C)(C)n1cc(CN2CC[C@H]2c2ccc(Cl)cc2)cn1 93686332 XJTAMQGNTWILEK-INIZCTEOSA-N 303.837 4.239 0 40 DIAB Cc1cccc(NC(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)c1 96182986 OHUKAJPDYQJKKH-UHFFFAOYSA-N 323.396 4.259 0 40 DIAB CCN(CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CCCC1 97491333 WJEGVPPQPCKPDJ-CQSZACIVSA-N 322.880 4.124 0 40 DIAB CC(C)(C)C(=O)NCCSCc1c(Cl)cccc1Cl 223288864 GPGLOGOULOXAJX-UHFFFAOYSA-N 320.285 4.389 0 40 DIAB Cc1cc(OCC(=O)NCC2CCCCC2)cc(C)c1Cl 224259929 HXPZPVYDKOFWML-UHFFFAOYSA-N 309.837 4.032 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC(C)(C)CC(C)(C)C 224462572 DMBRRKJVTYYTEK-INIZCTEOSA-N 321.461 4.184 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1C 225080634 OAXBBYQNRFMUSR-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OCC)c(C)c2)CCCC1 225655457 RAQNNIDULCDKFT-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1cccs1 253473179 SIBHMUCVVOGQJC-MMQHEFTJSA-N 311.406 4.255 0 40 DIAB Cc1cccc(C)c1OC(=O)c1ccccc1Br 129586 YQVDKLGTTXTSQL-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OCC 147381 JPGXULORHNQQJZ-ACCUITESSA-N 311.381 4.136 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Br)cn2)C1(C)C 291946 AXIVSTHBJFCRNV-WCQYABFASA-N 323.234 4.021 0 40 DIAB O=C(O)c1ccccc1CSc1nc2ccccc2s1 1425442 YMLKRZCJZALYNQ-UHFFFAOYSA-N 301.392 4.287 0 40 DIAB C[C@@H](C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 1872015 MITFXPHMIHQXPI-SECBINFHSA-N 301.729 4.336 0 40 DIAB biogenic,investigational COc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1 3105694 WTJDLWXKWTWMKR-ZHACJKMWSA-N 302.761 4.141 0 40 DIAB Cc1cc(C)c(OC(=O)C(C(F)(F)F)C(F)(F)F)c(C)c1 3188859 PKEXTOYPMJZLOK-UHFFFAOYSA-N 314.225 4.258 0 40 DIAB biogenic CC[C@H](C)n1nccc1NC(=O)[C@@H](C)Sc1ccccc1F 3421734 ODWDGFSQXALBDS-NWDGAFQWSA-N 321.421 4.113 0 40 DIAB Cc1ncsc1C(=O)Nc1cccc2c1[C@H](C)CC2(C)C 4106867 ZIXRWTTVYMUKNL-SNVBAGLBSA-N 300.427 4.489 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3cccc(F)c3)sc2c1 4670462 FCLVKZTWNDXESE-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 4747524 YQOTWQCDYLHMRU-CQSZACIVSA-N 322.360 4.060 0 40 DIAB biogenic COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 5617952 UOKQUURSYOLLOE-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 5865193 ZWGROPPUIAWVNW-UHFFFAOYSA-N 310.378 4.020 0 40 DIAB CCOc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1C 5962345 AFBOMHXPOUDXNO-ZDUSSCGKSA-N 314.381 4.283 0 40 DIAB C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 6004732 HSBQNSJYZKDWEL-CYBMUJFWSA-N 311.410 4.216 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1 6083214 GUXPZULJOHGJKF-UHFFFAOYSA-N 319.326 4.053 0 40 DIAB CCOc1cccc(CNCc2ccc(C)cc2)c1OC(F)F 6600868 HDXIQRNHMOBNGD-UHFFFAOYSA-N 321.367 4.285 0 40 DIAB Cc1ccc(OCCCCn2c(C=O)nc3ccccc32)cc1 6607418 YKJHKLWHHJIHLW-UHFFFAOYSA-N 308.381 4.016 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c(C)c1 6811314 OXUQKTQKKSAFPV-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB c1ccc([C@H](Nc2ncnc3sccc23)c2ccco2)cc1 8325363 PDSRWQKNANIQQS-HNNXBMFYSA-N 307.378 4.486 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc3ccccc3c(=O)s2)c1 12274402 DOJRFQQYQGLKCI-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB CCc1ccc(N[C@@H](c2ccc(C)cc2C)P(=O)(O)O)cc1 12540645 ZRNHPTWDBAZALF-QGZVFWFLSA-N 319.341 4.154 0 40 DIAB C[C@H](NC(=O)COc1cccc(F)c1)c1ccc2ccccc2c1 12881533 HWCWIABTGVJTFY-AWEZNQCLSA-N 323.367 4.235 0 40 DIAB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1C 12997411 SZLQXNIGTXLZRO-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccccc1F 15019153 OOERYRPZVSDGJC-XNTDXEJSSA-N 313.353 4.062 0 40 DIAB CCC(=O)N(C)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670880 WFTWVIYXFLWGOH-HXUWFJFHSA-N 306.409 4.434 0 40 DIAB O=C(CCCc1cccs1)Nc1cccc(-c2ccn[nH]2)c1 24883966 CMLDHSZGUZQXKJ-UHFFFAOYSA-N 311.410 4.100 0 40 DIAB OCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 35662579 ZAKQNDPBPHYDIW-UHFFFAOYSA-N 301.144 4.204 0 40 DIAB COc1cc(CNCc2cnc(-c3ccccc3)s2)ccc1C 66990292 DDJYEBUYLAHZLM-UHFFFAOYSA-N 324.449 4.417 0 40 DIAB C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)c1cnccn1 90114991 GBUDDTNOMROPIY-ZILJWTLNSA-N 301.821 4.178 0 40 DIAB COc1cccc(/C=C/CCS[C@@H](C)c2nnc(C)o2)c1 95412934 ORVJOUHCZNTLRW-NTYUQYKDSA-N 304.415 4.284 0 40 DIAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1Cl 110508228 GBXAQZPWZNDXQQ-UHFFFAOYSA-N 317.816 4.272 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 222574708 IUFOEYKLFJHCOA-NSHDSACASA-N 317.820 4.053 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccccc2)cc1 222870665 KOYDAPFPSWQQLU-HNAYVOBHSA-N 311.425 4.284 0 40 DIAB COc1ccc(C(=O)NC2CCCCCC2)cc1COC(C)C 224421853 MCAYPFJZTQMORO-UHFFFAOYSA-N 319.445 4.073 0 40 DIAB Cc1ccc2oc(CCCC(=O)NCC3=CCCCC3)nc2c1 224949139 DUNHGUKIPMEYDJ-UHFFFAOYSA-N 312.413 4.076 0 40 DIAB CCCC[C@H](CC)CNC(=O)COc1ccc2c(c1)CCCC2 225115336 WELUAGGVMOJYCI-INIZCTEOSA-N 317.473 4.277 0 40 DIAB CC(C)OC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 225470156 HXQQRGQSGLEHIT-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(C)c(C)c2)cc1 225671304 AKZRXCQQNSJRGO-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CCOc1ccccc1NC(=S)NC1(C(C)C)CCCC1 225847955 YMXZDNYWMQDCOA-UHFFFAOYSA-N 306.475 4.341 0 40 DIAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3)oc12 226269387 MUXMHPHRSVUCIQ-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB COc1ccc(Oc2ccc(NC(=S)NC(C)C)cc2)cc1 408552425 UAFSIDGIJGRRGE-UHFFFAOYSA-N 316.426 4.182 0 40 DIAB Cc1nc2ccc(NC(=S)N(C)c3ccccc3)cc2s1 408977704 JPYIRUBNQJUQLC-UHFFFAOYSA-N 313.451 4.438 0 40 DIAB CC(C)(C)[C@H]1CCCN1Cc1ccc2oc(C(=O)O)cc2c1 568873823 FOWBFBQEUJPYDU-MRXNPFEDSA-N 301.386 4.142 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](c2cccs2)C1 826572094 GDVIKTWHWDXXSJ-SNVBAGLBSA-N 309.793 4.170 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccnc1 51408 ZESKMBWNUBIXPJ-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCN(CC)c1ccc(NC(=O)CCc2ccccc2)c(C)c1 364269 APWTUZUKJUIRFN-UHFFFAOYSA-N 310.441 4.413 0 40 DIAB Oc1cccc(Nc2nc(N3CCCCC3)c3ccccc3n2)c1 383024 DZCMDSSGGIJTLI-UHFFFAOYSA-N 320.396 4.069 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCC1 2515637 DPRZHRWOIIWESK-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl 3221360 TUULCBKLXIJTJL-LLVKDONJSA-N 323.770 4.369 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 4031743 GBBJQZKSWRASQT-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB CSc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 4517481 JWKZSDDNBJOEKN-JTQLQIEISA-N 318.467 4.242 0 40 DIAB Cc1ccccc1N1C(=O)[C@H]2[C@H]3CCCC3=C3CCC[C@@H]3[C@H]2C1=O 4832699 QDUOONWQMKZMFZ-PBWTXFEYSA-N 321.420 4.011 0 40 DIAB CSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C 5262219 VESJAVFOWZOJNW-UHFFFAOYSA-N 322.842 4.037 0 40 DIAB C[C@H]1CCc2c(sc3[nH]c(=S)n(C4CCCC4)c(=O)c23)C1 5926461 FRXFGMWTNXDVCD-VIFPVBQESA-N 320.483 4.360 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1 6471106 HHOUCWZKKAKPAP-MRXNPFEDSA-N 313.466 4.057 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(C)c2)cc1 6967551 ULRWMXJEGQABAP-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB O=c1ccc2ccc(OCc3ncc(-c4ccccc4)o3)cc2o1 7393444 BDSUQMVRJQMENA-UHFFFAOYSA-N 319.316 4.027 0 40 DIAB CC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699803 BUUHBWNAYROUSM-CYBMUJFWSA-N 317.816 4.447 0 40 DIAB Clc1ccc(-c2nnc(SCc3ccccn3)o2)cc1 9112649 JDEIZEVSJFPOLL-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 11636860 YZEBWBOLASJHRL-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccco1 11854114 UVKRUJISHRPOBR-UHFFFAOYSA-N 319.316 4.231 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(C)c1 12635087 NWFLEUKRCKWXQN-NUEKZKHPSA-N 305.487 4.336 0 40 DIAB CC(C)=CCc1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 15115144 NQKCBBHHFITUFF-UHFFFAOYSA-N 322.360 4.380 0 40 DIAB biogenic,in-vitro CCOc1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 15389579 ZLFMVYGFBCAEGO-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB C=CCOc1cccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 16406666 VOBMGKKIWPUFCS-MDZDMXLPSA-N 309.321 4.056 0 40 DIAB Cc1cc(NC(=O)c2ccccc2)c(C)c(Br)c1O 16807758 SBYLPWTZPBIFAY-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@H](C)C1 20043919 TWAOVGBQOWFCON-YJBOKZPZSA-N 311.425 4.256 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 20343533 ABZGASLYPHUQMP-UHFFFAOYSA-N 302.805 4.472 0 40 DIAB CC(C)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 21196556 OVQCHKXMYOGBQJ-FQEVSTJZSA-N 321.424 4.205 0 40 DIAB FC(F)Oc1ccc(NCc2nc(-c3cccs3)no2)cc1 26782595 VRHQGMJYHBESKD-UHFFFAOYSA-N 323.324 4.012 0 40 DIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)s1 40074645 WVHOHVZXSWXMFK-ZETCQYMHSA-N 301.745 4.171 0 40 DIAB CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 43333110 VCJJVFHQJXECOM-LLVKDONJSA-N 320.339 4.246 0 40 DIAB CCOC(=O)Cc1cccc(-c2nc3ccc(F)cc3s2)c1 45923202 AGMMHEZIGSPJMK-UHFFFAOYSA-N 315.369 4.208 0 40 DIAB C/C=C/C=C/C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 52897402 BBUSQBKQFKLCQR-DSXPNFDZSA-N 303.365 4.096 0 40 DIAB C[C@@H](NCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 58445820 TYLDLDCHYPRFBR-LLVKDONJSA-N 323.223 4.283 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(C)ccc(F)c23)cc1 64874840 CLNFTTWIIGLXIP-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB Cc1cc([C@H]2CCCN2C(=O)c2cccc3ccccc23)on1 69418592 UNKUNEGCIZGCDV-QGZVFWFLSA-N 306.365 4.114 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1Cl 72211494 IVGNEWKNEAKTHA-OAHLLOKOSA-N 316.788 4.209 0 40 DIAB COC(=O)c1ccc2nc(-c3cccc(Cl)c3)sc2c1 73740404 KXUZWXBGALADLP-UHFFFAOYSA-N 303.770 4.403 0 40 DIAB O=C(c1ccc(Cl)s1)N1CCC(c2ccsc2)CC1 75157112 SLNCZMSXIHQBPJ-UHFFFAOYSA-N 311.859 4.483 0 40 DIAB CSCCSc1nc(-c2ccco2)nc2ccccc12 89493734 DBHAKAQLQBRIBO-UHFFFAOYSA-N 302.424 4.345 0 40 DIAB COc1ccc(CC(=O)Nc2cccc3c2ccn3C(C)C)cc1 95472915 VVAHCWHMDLFCJY-UHFFFAOYSA-N 322.408 4.412 0 40 DIAB Cc1cccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)c1 225018656 FZEPYGFGHRVTCA-LJQANCHMSA-N 306.361 4.223 0 40 DIAB O=C(O)[C@@H](Cc1ccccc1F)Sc1ccc(Cl)cc1 225052749 AKXJHNIRZOCVEA-CQSZACIVSA-N 310.777 4.267 0 40 DIAB CCCCc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)O)cc1 225127798 HQHCGTPPCXOLFN-LJQANCHMSA-N 312.409 4.412 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225691711 UIZRYEKQBZDVMV-KDOFPFPSSA-N 307.434 4.398 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1)C1CC1 225724902 KNQJASUJTWFITB-KUHUBIRLSA-N 319.445 4.316 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CC[C@H](c2ccsc2)C1 670855700 BUQMXUDYLVKRKR-NSHDSACASA-N 306.818 4.423 0 40 DIAB CC(=O)Nc1ccc(-c2cn3ccc4ccccc4c3n2)cc1 387323 NNQWLEPULUPBGJ-UHFFFAOYSA-N 301.349 4.113 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)COc1cccc2cccnc12 530246 XBLSTFLIMXHSEN-UHFFFAOYSA-N 316.360 4.286 0 40 DIAB CCOc1ccccc1OCCCC(=O)Nc1cccc(C)c1 3387704 XWCGSSNCVXYXMJ-UHFFFAOYSA-N 313.397 4.191 0 40 DIAB CCCCC(=O)Nc1cc(NC(=O)c2cccs2)ccc1C 4847628 ATBBFQPWSROSDT-UHFFFAOYSA-N 316.426 4.438 0 40 DIAB Cc1ccc([S@@](=O)OCC23CC4CC(CC(C4)C2)C3)cc1 6487904 CBKSEGHZRUEILH-JWSNXPMMSA-N 304.455 4.251 0 40 DIAB CN(C)c1ccc(/C=C/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1 6948666 IIQBHMIPZCDIMY-XSPSOZAFSA-N 319.364 4.281 0 40 DIAB C[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 7794315 NSKOHECBBZMTND-LBPRGKRZSA-N 322.235 4.456 0 40 DIAB O=C(CCCc1nc2ccccc2s1)Nc1ccccc1F 13005534 GJOQEPKARBJOHT-UHFFFAOYSA-N 314.385 4.397 0 40 DIAB CSc1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1 13006344 IKZWYXWFIJOROY-UHFFFAOYSA-N 310.422 4.162 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 13931188 OHBSOEGDEKOANB-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)cc1 14181381 CBJRRJMMJSGSFE-UHFFFAOYSA-N 305.381 4.254 0 40 DIAB O=C(NCCc1ccccc1)c1cc(Cl)sc1Cl 17357488 RWEFCFODUOTYEC-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)C1CCCCC1 22509374 TUZLBZOSWXWRQF-OAHLLOKOSA-N 311.425 4.398 0 40 DIAB CC(C)c1cc(C(=O)N[C@@H](C)c2ccco2)c2ccccc2n1 25261187 WFKCVFFKINIQQO-ZDUSSCGKSA-N 308.381 4.442 0 40 DIAB Cc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 28925554 OJXWIDFLCGBIRF-CYBMUJFWSA-N 314.454 4.256 0 40 DIAB Cc1c(Cl)ccc([C@H](O)CN(C)Cc2ccccc2)c1Cl 31912236 NTIUTEYRJPOJNH-MRXNPFEDSA-N 324.251 4.467 0 40 DIAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 32170699 BSWDFFAEDGCCHJ-LFIBNONCSA-N 324.405 4.101 0 40 DIAB COc1cccc(OC)c1C(=O)c1ccc(Cl)c(Cl)c1 37377505 RFMPTYZIIYNODG-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)cc(Cl)c1 45370989 VIAIEZSEWXALKN-CQSZACIVSA-N 322.191 4.247 0 40 DIAB Cc1cc(C)c2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 45920542 OZRQRKOOAPQZTE-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB Cc1nc(S[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)oc1C 47559647 DQRDZYSCMZZZDQ-CQDKDKBSSA-N 324.490 4.103 0 40 DIAB CC[C@H](C(=O)Nc1cccc2ccc(OC)nc12)c1ccccc1 49027925 OQDHBGBLADKBJS-INIZCTEOSA-N 320.392 4.376 0 40 DIAB CCCN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 57327467 XCWNHTDKYREXDJ-UHFFFAOYSA-N 321.376 4.022 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)N1CCC(n2cccc2)CC1 58156570 OHADTELZGVFYNJ-UHFFFAOYSA-N 323.223 4.272 0 40 DIAB CCC(CC)(NCc1nc(C2CC2)no1)c1ccc(Cl)cc1 58343343 VFBAFQCQPLIBAP-UHFFFAOYSA-N 319.836 4.406 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1n[nH]c2ccccc12 60114350 GLSCTOKZKXOWBM-CQSZACIVSA-N 321.424 4.049 0 40 DIAB Cc1cccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 72329131 WVOYKZKZFWUFQP-ZDUSSCGKSA-N 323.371 4.015 0 40 DIAB COc1ccccc1C(=O)NCc1ccccc1-c1ccsc1 96122886 HMJDXLYHPAFJSM-UHFFFAOYSA-N 323.417 4.354 0 40 DIAB CCC(CC)c1nnc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)s1 102441741 JXZIDDNJQXWZQW-WCFLWFBJSA-N 307.463 4.207 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCSc2ccc(F)cc21 103439512 XPCSUQVVOFAZND-QCQGSNGOSA-N 319.445 4.305 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cc(Cl)ccc1Cl 222571009 KPFHCLWYQIIWEX-UHFFFAOYSA-N 324.211 4.468 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1F 223843411 KWNPJEKEGNTRNN-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB O=C(Cc1cccc(Cl)c1)NCCCc1ccc(Cl)cc1 224747165 DEYBKKBVKOYPKI-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC)OC)cc1C 225604291 DTZQAUIPUUPZQR-GOSISDBHSA-N 307.434 4.236 0 40 DIAB CCOc1c(C)cc(NC(=O)C2(OCC)CCCCC2)cc1C 225710171 VZMKWXCYVAWYOR-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB Nc1ccc2oc(/C=C/c3ccc(Br)cc3)nc2c1 226249882 JKHIZJWXFIGVKP-FPYGCLRLSA-N 315.170 4.343 0 40 DIAB Clc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1 257289520 PYZHLBRDQFQQMA-ROUUACIJSA-N 300.833 4.115 0 40 DIAB Cc1nc2cc(NC(=O)NC(C)(C)CC(C)(C)C)ccc2o1 409128388 DRYRCNRCONMLEL-UHFFFAOYSA-N 303.406 4.473 0 40 DIAB CCCCNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 409136291 SGYZZICXGOOSGO-XDJHFCHBSA-N 309.409 4.152 0 40 DIAB c1ccc2c(c1)Cc1c(-c3noc4c3Cc3ccccc3-4)noc1-2 1588234 CHCQNSVBYJGTBD-UHFFFAOYSA-N 312.328 4.472 0 40 DIAB CCC(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN(C)C 1707692 IFKPLJWIEQBPGG-QGZVFWFLSA-N 309.453 4.150 0 40 DIAB in-man OC1=N[C@H](c2ccccn2)Nc2scc(-c3ccccc3)c21 4125408 ZCXDSBNSDHGZFG-HNNXBMFYSA-N 307.378 4.239 0 40 DIAB Cc1ccccc1Nc1nc(-c2ccccc2)nc(N)c1N=O 4774417 YMNCHGWXKSZWAR-UHFFFAOYSA-N 305.341 4.176 0 40 DIAB Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)no1 5032966 BVZGKDPVRXDCMY-UHFFFAOYSA-N 316.744 4.457 0 40 DIAB Cc1ccc(SCC(=O)N[C@H]2CCCc3ccccc32)cc1 5442821 GEABQTFADXIHQC-SFHVURJKSA-N 311.450 4.281 0 40 DIAB Cc1cc(OCC(=O)NC2CCCC2)c(C(C)C)cc1Cl 5453745 IRTDSSGBCITDBP-UHFFFAOYSA-N 309.837 4.209 0 40 DIAB CCOc1ccccc1OCCC(=O)Nc1ccccc1Cl 5885273 KKAONKNGFXJZJX-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB COc1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 7538620 DMZQCSDRFRXEIS-UHFFFAOYSA-N 311.356 4.384 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 12550918 CCSNONRIOROKRP-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 14094048 UKSCSCLWCWPZRJ-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CCOc1ccc(OCC)c(NC(=O)c2cc(F)cc(F)c2)c1 14601723 GPOMWMALGMLXEU-UHFFFAOYSA-N 321.323 4.015 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 15693865 IKLPUGDXHAQHNE-LBPRGKRZSA-N 321.392 4.243 0 40 DIAB COc1cc(CN[C@H](C)c2cccc(Cl)c2)cc(OC)c1 20016097 GVWGXIVDLBXQII-GFCCVEGCSA-N 305.805 4.208 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl 20139319 RZPASDXHUAUXDE-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(-c2nc3cc(NC(N)=S)ccc3o2)cc1Cl 20154546 OSXQAPXGLOQGHK-UHFFFAOYSA-N 317.801 4.112 0 40 DIAB C[C@@H]1Cc2ccccc2N1CCC(=O)Nc1ccccc1Cl 28710141 OIGZAPHHGUNUCB-CYBMUJFWSA-N 314.816 4.120 0 40 DIAB Cc1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 31107451 HBTONPRGPAFHGQ-UHFFFAOYSA-N 308.208 4.161 0 40 DIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCC(F)(F)F 32628774 ZSNZLGVMHPPZNP-UHFFFAOYSA-N 321.604 4.470 0 40 DIAB Cc1ccc(CCCNC(=O)c2c[nH]c3ccccc23)c(C)c1 32741396 VNBNSHWWSSAMKA-UHFFFAOYSA-N 306.409 4.147 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1cccs1)C(C)(C)C 32915465 XMWGLDNUTFJVFH-CJNGLKHVSA-N 317.454 4.419 0 40 DIAB Oc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12 41154700 CWDZMPMOWWFDRA-UHFFFAOYSA-N 323.739 4.311 0 40 DIAB CSc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1 57427581 CNLCDXNKBMLJEE-UHFFFAOYSA-N 317.458 4.223 0 40 DIAB CCSc1cc(C(=O)N(C)C2CCCCCCC2)ccn1 60303201 SUOLTXJTEWQQNE-UHFFFAOYSA-N 306.475 4.379 0 40 DIAB C[C@H]1CCc2ccccc2[C@H]1Nc1nccc(C(F)(F)F)n1 95447240 LGWIBPBCQNGZPC-HZMBPMFUSA-N 307.319 4.231 0 40 DIAB Cc1ccccc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104055 ITMGAVPRWKGCPW-UHFFFAOYSA-N 323.440 4.114 0 40 DIAB CC(C)Cn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N 101486776 CCOAEPYFPTZVDX-UHFFFAOYSA-N 323.352 4.285 0 40 DIAB COc1cc(Br)c2nc(-c3ccccc3)[nH]c2c1 118638725 ZZFVTFMMYSHYMA-UHFFFAOYSA-N 303.159 4.001 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)N2CCCc3ccccc32)cc1 222890243 HZYFUIJKHGHWID-HXUWFJFHSA-N 323.436 4.386 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)Cc1ccc(Cl)cc1F 223418981 DRVUTXKRGAZVAE-GFCCVEGCSA-N 305.780 4.207 0 40 DIAB Cc1ccccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225015111 NDTSZQHAFSPWLP-GOSISDBHSA-N 312.409 4.367 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCCC1 225197687 QDYNGJPQUAHZTK-OAHLLOKOSA-N 315.457 4.172 0 40 DIAB Cc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2)cc1 225305233 DVIXFRRTHYNBOH-UHFFFAOYSA-N 315.844 4.330 0 40 DIAB CC(C)C(NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)C(C)C 225430400 VATQUJLBFGKTOC-OAHLLOKOSA-N 317.473 4.130 0 40 DIAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645805 DSLSZIFGGVUYSM-IBGZPJMESA-N 319.445 4.236 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C 225709842 IWOCFMBPXNNSIH-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1 306047 CPIZFOKFSNJTLB-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB COCc1nc2ccccc2n1CCCCOc1cccc(C)c1 1926911 GEOIHUCBHAGRJH-UHFFFAOYSA-N 324.424 4.350 0 40 DIAB CCCSc1ccc(C(=O)Nc2ccc(F)cc2F)cn1 3470331 ZNWDKYDPMXRWST-UHFFFAOYSA-N 308.353 4.114 0 40 DIAB CCCN(C(=O)CC(C)C)c1nnc(-c2cccc(C)c2)s1 4982492 LNKDJLXYDUPLOE-UHFFFAOYSA-N 317.458 4.303 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 5865360 ZXLIONNYTKIHBT-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB CCOc1ccccc1OCC(=O)Nc1cccc2ccccc12 6152823 UUUYCMOGIKQRPL-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB Cc1nc(SCC(=O)c2ccc[nH]2)n(C2CCCCC2)c1C 6589130 NITYTUBMDQKTNH-UHFFFAOYSA-N 317.458 4.308 0 40 DIAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2C)cc1 7271746 USYHJOFRRCJQPK-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB Cc1cc2c(c(=O)o1)[C@@H](c1ccco1)Sc1ccccc1N2 7366935 HPYJZSOTENEWEA-MRXNPFEDSA-N 311.362 4.480 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC)c1 8041473 ZUSRZVFMPMIYMF-INIZCTEOSA-N 319.788 4.145 0 40 DIAB CCCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9426268 DFRHJKLXQMECBR-IBGZPJMESA-N 304.393 4.432 0 40 DIAB c1cncc(CNc2nc(-c3ccsc3)nc3ccccc23)c1 9737742 WMWVWPVURPVWSN-UHFFFAOYSA-N 318.405 4.365 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 9816923 BFYVQMZIDLGRFB-LBPRGKRZSA-N 319.788 4.145 0 40 DIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc2ccccc12 12558146 WGKYUFWHWBFQJD-HNNXBMFYSA-N 316.404 4.230 0 40 DIAB Cc1cc(F)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1 12772190 BUPIBWHTFCIUII-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB O=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1cccs1 22370745 OWJBBLJONHJPKU-UHFFFAOYSA-N 315.394 4.096 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 22567131 RKNNFSHKBSMZGL-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 24958021 SOEGLQDJYZWHRL-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CN(Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 25988136 OHIXMHZPLNQFLN-UHFFFAOYSA-N 322.330 4.047 0 40 DIAB Cc1cc(C)cc(OCCC(=O)Nc2cc(F)ccc2C)c1 28193860 ZDNVMFUFSVEYMJ-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB Cc1ccc(-c2cn3cc(Br)c(C)cc3n2)cc1 32508812 HLZJJTGUKQATER-UHFFFAOYSA-N 301.187 4.381 0 40 DIAB O=C(c1cc2c(s1)CCCC2)N1CC[C@@H]2CCCC[C@@H]2C1 32748037 JIACQZCFJQTGKL-DZGCQCFKSA-N 303.471 4.279 0 40 DIAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 36776090 LFJHGLBVBZUXOL-HNNXBMFYSA-N 319.408 4.071 0 40 DIAB O=C(NCc1ccco1)c1cccc(-n2ccc3ccccc32)c1 44227427 LMEHNMBKMTYZTE-UHFFFAOYSA-N 316.360 4.154 0 40 DIAB CSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 53388104 FAMFDYOOLPJYPS-ZDUSSCGKSA-N 311.450 4.388 0 40 DIAB N[C@@H](c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F 55205402 GOISPFRMQDHUCD-ZDUSSCGKSA-N 301.695 4.287 0 40 DIAB Cc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cn1 63859430 QZDVXTPHPTWFFB-UHFFFAOYSA-N 314.348 4.188 0 40 DIAB Cc1nc(C)c(C(=O)O[C@@H](c2ccccc2)c2ccccn2)s1 74093634 DVSYHZHPPDGHBD-INIZCTEOSA-N 324.405 4.101 0 40 DIAB CC(=O)c1c(F)cccc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 89937044 BYKZATKQQYIETI-MEDUHNTESA-N 319.401 4.056 0 40 DIAB Cc1ccc(OCc2cccc(NC(=O)OC(C)(C)C)c2)cn1 95445288 WFFMYXZZGLVTSE-UHFFFAOYSA-N 314.385 4.316 0 40 DIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1OC(F)F 96662886 DENVGJNCXKGSMV-GHXNOFRVSA-N 321.710 4.434 0 40 DIAB Cc1cccc2s/c(=N/C(=O)c3ccc(Cl)s3)n(C)c12 100878771 SDXGCECFMNLKDC-JQIJEIRASA-N 322.842 4.004 0 40 DIAB C[S@@](=O)Cc1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 129523619 QTCHAFKQVPYPKF-VUCVNMQBSA-N 319.392 4.098 0 40 DIAB CCCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1 218981745 DKQYPBGZIKLHRG-UHFFFAOYSA-N 311.425 4.146 0 40 DIAB Cc1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1 223669247 AFBSCAHARQWKBM-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCCC1 225708476 YIWSIEVPJDYVOD-UHFFFAOYSA-N 305.418 4.152 0 40 DIAB O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ccoc1 225721665 CCASBYWGQDZHEN-UHFFFAOYSA-N 317.238 4.002 0 40 DIAB Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1Cl 225893920 UYTYJLUICJFRLL-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccnc1)N2 247359623 DQNTZNICYJAPSG-XDQNADNFSA-N 320.392 4.076 0 40 DIAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 387921 SOMQJZJIKDWNAH-UHFFFAOYSA-N 317.772 4.062 0 40 DIAB Fc1ccc(CCNc2ncnc3c2[nH]c2ccc(F)cc23)cc1 520412 VAOWLRGKUZUEBA-UHFFFAOYSA-N 324.334 4.044 0 40 DIAB O=C(C1CCCCC1)N(c1ccc(Cl)nn1)C1CCCCC1 1352319 UXQGHTFLOLEKOU-UHFFFAOYSA-N 321.852 4.376 0 40 DIAB COc1ccc(NC(=O)Nc2nc3c(C)cccc3s2)cc1 1574621 LRBAPQRERWSOQD-UHFFFAOYSA-N 313.382 4.257 0 40 DIAB CCN(CC)CC(C)(C)COC(=O)c1oc2ccccc2c1C 1813761 RZCCOMQEHBOSKB-UHFFFAOYSA-N 317.429 4.266 0 40 DIAB CC(C)[C@@H](CCNC(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1 2098618 MFCOUHMZEYYAKV-HUUCEWRRSA-N 323.502 4.345 0 40 DIAB biogenic CCSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 2626120 BXOSWVNXKLLIHX-CYBMUJFWSA-N 310.422 4.118 0 40 DIAB C[C@H](NC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3376097 NPKCKQSBTBEGPW-JTQLQIEISA-N 315.244 4.243 0 40 DIAB O=C(NCCCc1ccccc1)c1cc(Cl)c(O)c(Cl)c1 3449681 WIBYOQDQVQJTFA-UHFFFAOYSA-N 324.207 4.062 0 40 DIAB CCc1cccc(OCC(=O)Nc2ccc(Cl)cc2F)c1 3611814 WCGAAIAXEJEGNG-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 5100959 SUYJPJOKZFMOTM-SFHVURJKSA-N 312.800 4.346 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 5100960 SUYJPJOKZFMOTM-GOSISDBHSA-N 312.800 4.346 0 40 DIAB O=C(Nc1ccccc1Cl)N1Cc2ccccc2NC1=S 6277032 KKLAEPKLHSUFSA-UHFFFAOYSA-N 317.801 4.085 0 40 DIAB O=C(Nc1ccccc1OC(F)F)c1ccc2ccccc2n1 6547671 SSFUGEHQMAUSAV-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB CCc1cccc(C)c1NC(=O)CSCc1cccs1 7400854 ISLGGNIWJUQLRP-UHFFFAOYSA-N 305.468 4.491 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)cc1C 8040600 ZUJLFYMAYLVLBB-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB CC(C)(C)c1cc(CCC(=O)N2CCC2)cc(C(C)(C)C)c1O 8075144 NCPLYDUUMCVVRD-UHFFFAOYSA-N 317.473 4.152 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc(=O)c2cc(C)ccc2o1 8936880 XVNAXDXJLYJYDR-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 12537110 WEWYVTZGKTUSAL-IBGZPJMESA-N 324.424 4.083 0 40 DIAB Cn1cc(CN2CC=C(c3ccccc3)CC2)c2ccccc21 12555040 CQGXXOCYRWXJRV-UHFFFAOYSA-N 302.421 4.468 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](C)c1ccccc1 12939662 WNPLEZVMEFFDEC-KBPBESRZSA-N 317.816 4.027 0 40 DIAB Cc1cc(C)c(C(N)=O)c(Sc2ccc3ccccc3c2)n1 12978080 FAPLPFGYJRXPNW-UHFFFAOYSA-N 308.406 4.102 0 40 DIAB O=C(COc1ccccc1)Nc1cccc(OC2CCCC2)c1 13003286 ZNHDGKUCKQEOMH-UHFFFAOYSA-N 311.381 4.026 0 40 DIAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccc2ccccc12 15741589 YIPDPVPJASPFCM-ZDUSSCGKSA-N 319.360 4.060 0 40 DIAB COc1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 16221510 SOEVKQUHNMTIKN-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 20488415 FKTFDZLPSVHZEM-KGLIPLIRSA-N 315.388 4.033 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 20921770 HCPSZDVDXSDBEM-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB Cc1nc(Oc2cccnc2)c2c3c(sc2n1)C[C@H](C)CC3 21937708 XANCBBNKHVTCNF-SNVBAGLBSA-N 311.410 4.312 0 40 DIAB C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1 32862921 AWAMAFZLEWZWSP-GFCCVEGCSA-N 322.330 4.266 0 40 DIAB COc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1OC 37359985 QPFFBMQJFVYXAJ-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 38754020 CJUQFKRJGJLRLL-LBPRGKRZSA-N 319.788 4.145 0 40 DIAB COc1ccc(CSc2nncc3ccccc23)cc1F 44156715 ZZGGWVTYDLJVSP-UHFFFAOYSA-N 300.358 4.070 0 40 DIAB COc1ccccc1NC(=O)Nc1ccccc1OC(C)C 51371964 BYFYIGPZULYUHY-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 68846611 IYHMLTNPGLEMNK-KBPBESRZSA-N 317.816 4.027 0 40 DIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 71771257 AZQAIRJYCUWZPD-LCWAXJCOSA-N 300.442 4.302 0 40 DIAB CC[C@@H](NC(=O)c1ccncc1Cl)C(C)(C)c1ccccc1 73114733 HZSDLWMJDUPXAZ-MRXNPFEDSA-N 316.832 4.221 0 40 DIAB COc1ccc2ccc(OC(=O)[C@@H]3C[C@@H]3c3ccco3)cc2c1 83970389 RUXBXEIRMDWBOM-DLBZAZTESA-N 308.333 4.151 0 40 DIAB Cc1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1 89705463 FRXCUWNAMSBCEW-UHFFFAOYSA-N 319.499 4.345 0 40 DIAB Cc1cnc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)s1 95403021 RXAYWWLQLSTREV-JMPLFQLZSA-N 302.443 4.409 0 40 DIAB Cc1cc(F)ccc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95916994 WDTPOBNBBXRVGK-UHFFFAOYSA-N 304.189 4.061 0 40 DIAB CC(C)c1ccc([C@H](C)Oc2ccc(N(C)C(N)=O)cc2)cc1 95941898 OFHBKULXIALBIN-AWEZNQCLSA-N 312.413 4.465 0 40 DIAB Cc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(Br)c1 101373958 GBPRVFZFHHLXPS-UTUOFQBUSA-N 308.219 4.132 0 40 DIAB O=C(O)c1ccnc([C@H]2CCCCC23SCCCS3)c1 217630043 NZEWYNHRVMTFTC-GFCCVEGCSA-N 309.456 4.004 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)on1 224066327 JSVMZPKTDWMDGU-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Cl)cc1 225027049 IQAGIXUXZAHSGF-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225061526 YIJZSBBZYFYRNC-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1Cl 225609717 WTLPPPGIQBCDED-MRXNPFEDSA-N 313.825 4.128 0 40 DIAB S=C(Nc1ccc(Cl)cc1)Nc1ccc2conc2c1 409201793 YAMXHQBSICIMSI-UHFFFAOYSA-N 303.774 4.290 0 40 DIAB FC(F)(F)CNc1ccc(OCC(Cl)(Cl)Cl)cc1 1083811826 VGSKQZRHLKNNIL-UHFFFAOYSA-N 322.541 4.410 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@H]1CC(F)C2 1775968384 FEGHMJQRLKERIS-PMACEKPBSA-N 323.411 4.388 0 40 DIAB Cc1ccc(C(C)C)c(OC(=O)Cc2nc3ccccc3[nH]2)c1 35264 IKTRINZUQWTZLL-UHFFFAOYSA-N 308.381 4.143 0 40 DIAB Cc1cc(C)cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)c1 2601953 UTVVKZYDGDZOTK-APWZRJJASA-N 308.381 4.073 0 40 DIAB CCCCSc1nnc(N(C)C(=O)Nc2ccccc2)s1 5615259 RPYKGPFBFOESFI-UHFFFAOYSA-N 322.459 4.099 0 40 DIAB Cc1ccc(COc2ccc(C(=S)N3CCCC3)cc2)cc1 6300151 OZXMUAZRXSXWPX-UHFFFAOYSA-N 311.450 4.345 0 40 DIAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 7486565 ZFNCUJWBOYSWEM-INIZCTEOSA-N 324.424 4.292 0 40 DIAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NCC2CCCCC2)c1 9911048 DGCIFZXMVUNLLZ-CYBMUJFWSA-N 309.837 4.112 0 40 DIAB CCCc1n[nH]c(SCc2csc(-c3ccccc3)n2)n1 12991035 WOACUFYPBLJPEI-UHFFFAOYSA-N 316.455 4.173 0 40 DIAB CC[C@H](C(=O)Nc1nc(-c2ccccn2)cs1)c1ccccc1 15108325 DGMNBCYRJKIIGL-AWEZNQCLSA-N 323.421 4.337 0 40 DIAB C[C@@H](c1cccs1)N(C)Cc1nc(-c2cccs2)no1 22013484 BKHSYVNQPOBBNH-JTQLQIEISA-N 305.428 4.053 0 40 DIAB CC(C)c1cc(C(=O)NOCc2ccccc2)c2ccccc2n1 25285035 HLFIKSQCKVUWPN-UHFFFAOYSA-N 320.392 4.220 0 40 DIAB C[C@@H]1C[C@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 27386610 KJYHOOMZMJIDSX-BDJLRTHQSA-N 314.768 4.132 0 40 DIAB Cc1c(C(=O)Nc2onc3c2C[C@@H](C)CC3)oc2ccccc12 27794721 AMALTKRSVOWQQE-JTQLQIEISA-N 310.353 4.106 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 32854046 AXRUABCXTZTSME-KRWDZBQOSA-N 320.396 4.240 0 40 DIAB C=C[C@]1(C)C=C2[C@@H](CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@H]2O 33831853 PLKOJNUQWAKPNC-CCEQCLNRSA-N 318.457 4.177 0 40 DIAB endogenous,in-man Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)c1 38757120 JPYHGTCBFWHOFH-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)[C@@H]1C 40134978 ACVRCDJPGAOOKO-NFAWXSAZSA-N 317.477 4.070 0 40 DIAB CCN(CC)C(=O)Cc1cccc(-c2nc3ccccc3s2)c1 41127645 FJLRNFGEAAWRPE-UHFFFAOYSA-N 324.449 4.374 0 40 DIAB Cc1cc(C(=O)Nc2ncc(Cl)cc2C)c2ccccc2n1 46085540 IKZMSAMRUFDBJW-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB O=C(/C=C/c1ccccn1)N[C@@H](c1ccc(F)cc1)C1CCCC1 55392495 WUUDNQIILMDVFE-DRUFCSCSSA-N 324.399 4.282 0 40 DIAB CCCCNC(=O)C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 60468333 FGBPRLHXMJCDSN-CQSZACIVSA-N 322.880 4.029 0 40 DIAB Cc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3O)nc2c1 70462048 PCHCUWLTGRPSQK-UHFFFAOYSA-N 310.353 4.103 0 40 DIAB C[C@H]1C[C@@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890746 QOLXEOIKOMEGHY-CABZTGNLSA-N 310.357 4.054 0 40 DIAB CCSc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72217178 FTJJWDANXJTGHV-ZDUSSCGKSA-N 308.447 4.266 0 40 DIAB c1ccc(CCc2nc(CSc3nncs3)cs2)cc1 84646381 YSNUVDGANAJYRT-UHFFFAOYSA-N 319.480 4.072 0 40 DIAB COc1ccc(Nc2nc(-c3ccoc3)cs2)c(OC)c1 96124494 JHDXCQQWWBXPPX-UHFFFAOYSA-N 302.355 4.164 0 40 DIAB O=C(N1CCc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100986057 GMDBBQFBAAHMAN-CXTCDGGRSA-N 315.844 4.154 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2C)cc1 113969055 XHXGJQATTLXWLC-LJQANCHMSA-N 311.425 4.031 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1C[C@@H](C)C[C@H](C)C1 216865336 NGCUYMKHNHTWJO-STQMWFEESA-N 317.477 4.044 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 222635918 UMZONTRYBNOYCZ-CYBMUJFWSA-N 318.804 4.237 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222810975 FXGCULXIKMZJFM-INIZCTEOSA-N 311.425 4.375 0 40 DIAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCCCC1 223707597 YNHAHKWBKPNBFS-UHFFFAOYSA-N 303.446 4.059 0 40 DIAB CC[C@H](CNC(=S)Nc1ccc(F)cc1)Cc1ccccc1 225630664 OQSFYJOPBYFDQB-AWEZNQCLSA-N 316.445 4.381 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226236137 XSLWGQZJBWXRRF-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CCC[C@H](C)C1 257173634 SZMWUQCQNGCRLX-ZDUSSCGKSA-N 312.388 4.068 0 40 DIAB COc1ccc2cc(C(=O)Nc3c(C)cccc3C)c(C)nc2c1 358286888 LKBDKWAZEIIEMF-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(F)cc1 390831537 SKKJUUCZXILBGU-UHFFFAOYSA-N 318.417 4.260 0 40 DIAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(CCC)n1 585265530 RZSXOGDFERUBBB-UHFFFAOYSA-N 313.397 4.497 0 40 DIAB CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 102937 REUCQIABFJJFIC-QMMMGPOBSA-N 307.488 4.146 0 40 DIAB O=C1N=C(c2cccc(O)c2)c2ccccc2Nc2ccccc21 120892 KHGWXVLZACYLDE-UHFFFAOYSA-N 314.344 4.127 0 40 DIAB Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1 499491 ICKUXQKEAADGEY-UHFFFAOYSA-N 315.785 4.421 0 40 DIAB O=C(c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1358603 KNPVZWYWLQEJLU-UHFFFAOYSA-N 322.433 4.316 0 40 DIAB Cc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 3153849 IAOPAIIARIYMIJ-INIZCTEOSA-N 320.219 4.449 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 3328905 PNWYRMITOWQCOW-CYBMUJFWSA-N 315.800 4.087 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)CN[C@@H]1CCCc2ccccc21 3335728 YNCYOIVUOAIOFH-GOSISDBHSA-N 318.420 4.326 0 40 DIAB CCOC(=O)Nc1sc2nc(C)cc(C)c2c1-n1cccc1 4052801 LJMDLEGZNAGUAR-UHFFFAOYSA-N 315.398 4.272 0 40 DIAB CN(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 4059048 YHVYTGXFJCIKCV-UHFFFAOYSA-N 323.421 4.128 0 40 DIAB CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(C)c(C)c1 4163361 OIVRJPKUJCHNRF-UHFFFAOYSA-N 320.392 4.021 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1nc2c(Cl)cccc2s1 5268271 SWEOZWCZKCAHTR-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB Cc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12 6188479 BDXPWYOTAXYWAU-UHFFFAOYSA-N 312.181 4.384 0 40 DIAB Cc1cc(F)ccc1C(=O)Nc1ccccc1Br 6233194 CTFCFKNIIDFWJV-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(NCc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 6322913 NRTJFAVNSBAIAW-UHFFFAOYSA-N 313.159 4.454 0 40 DIAB CCCCc1ccc(NC(=O)S(=O)(=O)c2ccccc2)cc1 6757164 ARBMDGYTZKKXMO-UHFFFAOYSA-N 317.410 4.035 0 40 DIAB O=C(Cc1cccc2ccccc12)Nc1ccc(F)c(F)c1F 7007376 ARDRWJSVCOMNLN-UHFFFAOYSA-N 315.294 4.438 0 40 DIAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 7381966 IJXNUKVLMGFCSQ-UHFFFAOYSA-N 321.417 4.232 0 40 DIAB Cc1nc(COc2ccccc2)sc1C(=O)Nc1ccccc1 8042343 VFCFDWUXIOSLAZ-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB Cc1cccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 8707546 WNHBMZLOLHGOOD-GOSISDBHSA-N 321.380 4.083 0 40 DIAB Cc1ccc(NC(=O)N2CCc3sccc3C2)cc1Cl 10463985 HRZZBVSTULFDFL-UHFFFAOYSA-N 306.818 4.300 0 40 DIAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)s2)N1C1CC1 11034733 NRQCVBCXFVAZJI-CQSZACIVSA-N 304.802 4.130 0 40 DIAB CCc1cccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 12781735 DGFLTDKYPIMBPU-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2c(Cl)cccc2Cl)o1 12904098 OVDMOQQUQPFUIT-JTQLQIEISA-N 312.196 4.315 0 40 DIAB C[C@]1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21 13127280 ZRZMLKAZUBVMMI-FQEVSTJZSA-N 312.376 4.245 0 40 DIAB COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1Cl 15426001 RCBKDDVXDAGBNT-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C)C1 20490406 URJKFHTXVUQXNI-DNVCBOLYSA-N 311.425 4.256 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1ccnc(Cl)c1 21812758 WADITROTZZOYDA-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB COc1cccc2cc([C@@H](C)NC(=O)C3CCCCC3)oc12 25139364 MLUJJXYGMQTCPU-GFCCVEGCSA-N 301.386 4.199 0 40 DIAB O=C(COc1ccccc1)N[C@H](c1cccs1)C1CCCC1 32398335 KWNJCERUEIJMDT-SFHVURJKSA-N 315.438 4.175 0 40 DIAB Cc1occc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 32837297 GKISBODXYZJQHF-CYBMUJFWSA-N 307.802 4.208 0 40 DIAB OCc1cc(Cl)ccc1OCc1ccc(F)cc1Cl 37312105 YQXNUUSRBGCQFI-UHFFFAOYSA-N 301.144 4.204 0 40 DIAB COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C)c3)C2)cc1 38566769 YNMJJYSEIZFKGO-MRXNPFEDSA-N 310.397 4.025 0 40 DIAB CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCC2)=N1 39131107 WGMVBTAYSGCATC-ZIAGYGMSSA-N 320.477 4.234 0 40 DIAB CCCCN(CC)C(=O)Nc1cc(Cl)c(OC)cc1OC 40103511 QGBFOILEPFQYHW-UHFFFAOYSA-N 314.813 4.011 0 40 DIAB CCCOc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155183 FMAILOXUDFXJRY-UHFFFAOYSA-N 313.422 4.228 0 40 DIAB Cc1ccc2oc(-c3cc(NC(N)=S)ccc3Cl)nc2c1 45887485 ZZIFSCDZSLEXCS-UHFFFAOYSA-N 317.801 4.112 0 40 DIAB O=C(c1ccc(F)cc1F)N(Cc1ccco1)C1CCCC1 48311442 JOSPISHHFVVRHM-UHFFFAOYSA-N 305.324 4.143 0 40 DIAB Fc1cc(CNc2nc3ccccc3s2)ccc1-n1ccnc1 63254625 RLCCLJQFJJKSBT-UHFFFAOYSA-N 324.384 4.233 0 40 DIAB O=C([C@@H]1CC=CCC1)N(Cc1ccoc1)Cc1cccs1 90612178 BZKLKXWOMOYHMM-OAHLLOKOSA-N 301.411 4.226 0 40 DIAB O=C(Nc1ccc2ccccc2c1)[C@H]1CCOc2ccccc21 102847630 WHOIFMUINYVSLW-SFHVURJKSA-N 303.361 4.345 0 40 DIAB Cc1ccc(COc2ccc(/C=C/C(=O)O)cc2Cl)cc1 110418675 FQTDSJYMKFQNKZ-VQHVLOKHSA-N 302.757 4.325 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1 113951199 VANNGSBCJCDUHP-HXUWFJFHSA-N 319.404 4.314 0 40 DIAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 218807058 BJAIJLBLFWRZCQ-GOSISDBHSA-N 323.436 4.265 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccs3)N21 222651724 PRPDJPOXPWNFQZ-BYCMXARLSA-N 315.467 4.123 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)NCc1cccc2ccccc12 222871280 BTNAHOOWFCLLAN-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB Cc1nc2cc(C(=O)Nc3cccc4ccccc34)ccc2n1C 408731123 KRBMIWWOQKMPHI-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1 408783339 NQYLIXSZEUAFIO-LYPXWFNGSA-N 324.449 4.157 0 40 DIAB O=C(Nc1ccc(NC[C@H]2CC2(F)F)cc1)N1CCCCCC1 585140422 DPBCRWVOXFFKPY-CYBMUJFWSA-N 323.387 4.162 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3)ccc2c1 103464 LCSGTBKEHQPHFM-OAHLLOKOSA-N 319.404 4.268 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc1 510537 CPXTZNZXELWHPM-DHZHZOJOSA-N 301.773 4.309 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1ccccc1Cl 803486 XTDNCIFCUNWEET-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB CCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 2733982 NRWODUFCOAXXBA-LLVKDONJSA-N 323.458 4.178 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(CC)c2)cc1OC 3328560 JVDPBDIVOMYYES-UHFFFAOYSA-N 313.397 4.299 0 40 DIAB CCC(CC)NC(=O)CSc1nc(-c2ccccc2)cs1 3453970 LYVWYKYEGKMROJ-UHFFFAOYSA-N 320.483 4.207 0 40 DIAB C[C@H]1CCc2cc3c(cc2N1)CC[C@@H](C)N3C(=O)c1ccccc1 3844776 YSFOORUETXTNPD-LSDHHAIUSA-N 320.436 4.415 0 40 DIAB biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 3881323 MGMOLZNAUACBCR-WQBJWTDHSA-N 318.457 4.011 0 40 DIAB biogenic C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccccc2)N3)C1 4525651 AKWJJXNUHUZOCZ-PBPOAJCHSA-N 324.449 4.068 0 40 DIAB CCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 4906769 QTAPILRWJGAFOJ-UHFFFAOYSA-N 300.358 4.051 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(Cl)cc1Cl 6284697 YSXGGAMZPDEBJD-FPYGCLRLSA-N 324.182 4.462 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 6569865 ZLSRUXYDYZINOJ-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB CCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7262325 XCWGDINHAAVCHK-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB Cc1ccc(C(=O)COC(=O)c2cc3ccccc3s2)s1 7413126 HWTMMCRVVFTXMB-UHFFFAOYSA-N 316.403 4.311 0 40 DIAB Cc1ccc(CN(C)C(=S)Nc2cccc(Cl)c2C)o1 7677141 FYZGXQXESTYQJA-UHFFFAOYSA-N 308.834 4.379 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8478031 XDBABXJHTCSALZ-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1 9390039 FLPPBZHBECIYMM-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2ccc3oc(C)nc3c2)c(C)c1 12998206 OBCRIMUBOBANJY-RMKNXTFCSA-N 306.365 4.405 0 40 DIAB Cc1ccnc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 13200106 XFZSDHOLXYGTHU-HWKANZROSA-N 307.180 4.349 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13689076 RJARPKHCZWJSGI-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1nc2ccccc2s1 15612305 RMLSOAROLBRNRF-UHFFFAOYSA-N 321.405 4.198 0 40 DIAB Cc1cccc(C(=O)N(Cc2ccc(C)o2)c2ccccn2)c1 15833115 RRKQYMNKJAIOMH-UHFFFAOYSA-N 306.365 4.138 0 40 DIAB Fc1ccccc1-c1nc2cnccn2c1NCc1cccs1 19368285 XRUZFECXPCXADU-UHFFFAOYSA-N 324.384 4.209 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC2CCCCCC2)c1 20108593 AUCRACIRVUMFAE-MRXNPFEDSA-N 303.446 4.218 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 20451180 ILYVKHBVNJJOIG-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB COc1ccc(CCNCc2c(Cl)cccc2Cl)cc1 21016084 GFLFDUALEIMJJZ-UHFFFAOYSA-N 310.224 4.334 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2ccccc2Cl)cc1 21555995 WLHOJFMDUROSQI-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB C[C@@H](NC(=O)CNc1ccccc1Cl)c1ccccc1Cl 25596952 MULLWWGFTAXUGZ-LLVKDONJSA-N 323.223 4.283 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)N[C@@H](C)c1cccs1 26245532 UKICTQMGZLYLSS-LBPRGKRZSA-N 306.406 4.180 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 27662438 HKDGHHNZSYMOHK-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@H]2[C@@H]1c1ccco1 36049204 XCUSOXGYBWDEPN-JENULPTLSA-N 324.380 4.262 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]1c1cccs1 36621189 KIMALSFXGGAFMS-HNNXBMFYSA-N 324.405 4.380 0 40 DIAB CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 40049892 JNKMKBGVDPXLPW-FQEVSTJZSA-N 322.452 4.368 0 40 DIAB CC(=O)Nc1cccc([C@H](C)Nc2nc3ccccc3s2)c1 40067597 UTCNQCZZHWYLDF-NSHDSACASA-N 311.410 4.428 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 40098772 XAIHMFOXGYPKCV-HUUCEWRRSA-N 302.418 4.129 0 40 DIAB CC[C@@H](C)c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 41122854 JQQLGKXYJRILJK-NEPJUHHUSA-N 319.430 4.012 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2cccc(Cl)c2Cl)c1 43209885 SDWHLASSSOMWLQ-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CN(C(=O)c1ccc(N2CCCCC2)cc1)C1CCCCC1 44886014 PGTJDGKVMXKLQS-UHFFFAOYSA-N 300.446 4.082 0 40 DIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(F)cc1Cl 48205379 UOKFQZHVCHPWQT-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CCc1ccc2oc(Nc3nc4ccc(N)cc4s3)nc2c1 57352649 MIEMWECCLAAZSC-UHFFFAOYSA-N 310.382 4.326 0 40 DIAB Cc1csc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)n1 78988938 QUXSLBWCSHYIIS-CQSZACIVSA-N 309.438 4.364 0 40 DIAB Cc1ccc(Nc2ccc(C(=O)NC(C)C)cc2N)cc1Cl 225426961 AABCEDKWWPIPGP-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)OC2(CCCCC2)C1 257326312 WWSMBNMNLXEWLY-IAGOWNOFSA-N 323.383 4.024 0 40 DIAB CCc1cc2cccc(C)c2nc1SCC(=O)NC(C)(C)C 412585 UWVFVODQZOITSE-UHFFFAOYSA-N 316.470 4.112 0 40 DIAB CC(C)CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 483340 ZSWCAQAUFUZUGO-UHFFFAOYSA-N 323.458 4.177 0 40 DIAB CCCCCn1c(=O)c(C(=O)OCC)c(Cl)c2ccccc21 2270914 QUKHHVFYWFGXQM-UHFFFAOYSA-N 321.804 4.022 0 40 DIAB Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccc(F)cc1 5156678 HNICBIIVZJUKHW-UHFFFAOYSA-N 315.417 4.192 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCCC[C@@H]1C 5535769 QPDJWXQGYGXDEJ-AWEZNQCLSA-N 309.837 4.208 0 40 DIAB C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CCC[C@H]12 6795290 SGQIYKXGWYOMQI-FQBPZLHKSA-N 306.490 4.141 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 8493044 KYEXQFIKLBVAAX-CQSZACIVSA-N 313.397 4.225 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 13408585 WYZDXEKUWRCKOB-DXFHCHAVSA-N 304.474 4.349 0 40 DIAB CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1cccs1 16172439 HFIBMGZPJHBCDC-KRWDZBQOSA-N 313.422 4.037 0 40 DIAB C[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2cc(Cl)ccc2o1 19458581 WXDMFCVWVQVTDT-MCYUEQNJSA-N 315.800 4.476 0 40 DIAB Nc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl 19736700 JZKAUPOOCCXUIS-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCc1cccc(C)c1NC(=O)CCc1ccc(OC)c(F)c1 24689140 OWUWUWCZUDJRHO-UHFFFAOYSA-N 315.388 4.276 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(OC(C)C)cc2)cc1 40995396 KHJHRRQNMNAKKN-UHFFFAOYSA-N 313.397 4.054 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2F)cc1 47367828 BGOPIPMGMKMTJW-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB Cc1nc(N2CCc3ccccc32)ccc1[C@H](O)c1ccccc1 72224989 XHLWNWTZOQKZOY-OAQYLSRUSA-N 316.404 4.166 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 100758236 LJAADAIWAMUVQM-MRCJGTGCSA-N 310.224 4.311 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222780935 KWNSNMSNRVZZAG-INIZCTEOSA-N 319.404 4.232 0 40 DIAB COC(=O)c1cccn1-c1ccc(Br)cc1C(C)C 223735105 TWEIBWKSZZWWQI-UHFFFAOYSA-N 322.202 4.150 0 40 DIAB Cc1cccc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 223908686 FXJVRPNYKVUMTJ-UHFFFAOYSA-N 323.421 4.137 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 224609628 KVVSIBQOJKAQNF-IRXDYDNUSA-N 305.462 4.403 0 40 DIAB COc1cc(C)c(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1C(C)C 225657148 RLDONGTYUJVAEQ-CPUCHLNUSA-N 301.430 4.045 0 40 DIAB CCCn1c(=O)c(C(C)=O)c(-c2ccccc2)c2ccccc21 256027969 MCQILZBRJZHXPJ-UHFFFAOYSA-N 305.377 4.281 0 40 DIAB COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 366312 QTGGISXMHSCJFL-RDTXWAMCSA-N 303.446 4.021 0 40 DIAB Cn1c(S)cc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 536346 KDADYLBAGSYWPU-SECBINFHSA-N 307.484 4.040 0 40 DIAB CCCC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 1295144 OMACIGUNZLILEB-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC(=O)OC1C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 1719800 OBNUWEBINMHPGX-PMACEKPBSA-N 309.409 4.126 0 40 DIAB CCOc1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1OC 1788340 VZHYCZQYZCBGSS-UHFFFAOYSA-N 324.376 4.484 0 40 DIAB biogenic,in-vitro C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 3515041 SXXZHVMXYGAXAF-NSHDSACASA-N 323.820 4.449 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CC[C@H](c2ccccc2)C1 6252468 QMPHZYMYGOXJQH-AWEZNQCLSA-N 323.421 4.318 0 40 DIAB Cc1ccc2sc(NC(=O)c3ccc(F)cc3)nc2c1C 6478553 GTHFLVJNRQDUQA-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB COc1cccc(NC(=O)Cc2coc3c(C)c(C)ccc23)c1 7609862 YOCCGRLHDIUCAN-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCCc1ccccc1 9256604 BWIVTTRGJMDRIZ-HNNXBMFYSA-N 314.404 4.161 0 40 DIAB CC(C)Oc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10221462 YAVWEWJOVNVGCU-UHFFFAOYSA-N 323.436 4.326 0 40 DIAB Cc1cc(C)n(-c2ccc(S[C@@H](C)c3ccccc3)nn2)n1 11140665 JCYAZDMHCBWKNF-AWEZNQCLSA-N 310.426 4.132 0 40 DIAB Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)c1C 25297353 PCEXQCLSWQDBSZ-CYBMUJFWSA-N 319.351 4.396 0 40 DIAB O=C(c1ccc(F)c(F)c1)N1CCC(Cc2ccccc2)CC1 28210427 GCAJREBJKXMOKP-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1C1CC1 28265757 NSTGONGIATUYNM-UHFFFAOYSA-N 303.365 4.002 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1OC 31618296 VUVLMKGCBJPVSJ-OAHLLOKOSA-N 303.789 4.230 0 40 DIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CCCC[C@H]1C 32895380 MJXLAOKVNZRTNY-BFQNTYOBSA-N 310.388 4.246 0 40 DIAB O=C(c1ccc(OC2CCCC2)cc1)N1CCOc2ccccc21 33168148 HVMVQQSBRPKWDA-UHFFFAOYSA-N 323.392 4.047 0 40 DIAB CC(=O)c1c(C)cc(C)c(CN(C)Cc2cnc(C)s2)c1C 47259218 CFUCQOXUMGGPFQ-UHFFFAOYSA-N 316.470 4.211 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 51354260 OVGYFLHQUNGCEE-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB COc1ccccc1NC(=O)NCc1ccc2ccccc2c1 51375061 HCNWLSYZCGPAGS-UHFFFAOYSA-N 306.365 4.170 0 40 DIAB C[C@@H](N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C(C)(C)C 52448593 ZXKFJVUUYGSGFO-GFCCVEGCSA-N 317.458 4.041 0 40 DIAB CCc1noc(C)c1C(=O)N[C@@H](CC(C)C)c1ccccc1 57463887 UUIAJHFZZAYDSV-INIZCTEOSA-N 300.402 4.063 0 40 DIAB Cc1cccc(-n2c(C)nnc2SCCc2ccccc2)c1 58024226 CWALAGNGLZEPPF-UHFFFAOYSA-N 309.438 4.219 0 40 DIAB CCCCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 64874470 NGCRPKWXUTWFTG-UHFFFAOYSA-N 308.809 4.287 0 40 DIAB CCc1ccccc1NC(=S)Nc1ccc(OC)c(F)c1 71325873 XATOVPQUHVTVFE-UHFFFAOYSA-N 304.390 4.206 0 40 DIAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(-c2ccco2)ccc1F 89872076 KDALGTDBSHOIBJ-UHFFFAOYSA-N 314.320 4.070 0 40 DIAB CCc1ccc([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)o1 97017323 DBYPQKSIMLTRTN-OLZOCXBDSA-N 311.385 4.304 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 219524691 ZMRHOFPSDLQKEA-MRXNPFEDSA-N 309.409 4.050 0 40 DIAB CC(C)c1ccccc1O[C@H](Cc1ccccc1F)C(=O)O 225051283 JSIRLSVIMSSAQT-QGZVFWFLSA-N 302.345 4.024 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225617507 NXZKJAKWNRZTNG-RDTXWAMCSA-N 307.434 4.398 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225627802 XQIDNUHCCXZHCF-CQSZACIVSA-N 305.418 4.152 0 40 DIAB CC[C@@H](NC(=S)Nc1ncccc1C)c1ccc(C)cc1C 225717132 NHURRWPSNQWKOM-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1C)NCC2 34561 VUOCCUNKRSMKAJ-HXUWFJFHSA-N 311.425 4.028 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3ccccc3F)sc2c1 326306 JOCUAWBZLQNLBN-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CC(C)SCc1cc(N2CCCC2)nc(-c2ccccc2)n1 1392325 IQKKQHJAKCHTLJ-UHFFFAOYSA-N 313.470 4.385 0 40 DIAB CCCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 2188950 ZITWEQOPYCMWGG-UHFFFAOYSA-N 317.458 4.431 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2ccccc2n1 3351833 SUUHWRKHPFUZAG-GOSISDBHSA-N 302.377 4.042 0 40 DIAB CCCn1c(NC(=O)c2ccc(OCC)cc2)nc2ccccc21 6516437 LNXGZZHOFKNTBC-UHFFFAOYSA-N 323.396 4.097 0 40 DIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccccc1)O2 11866487 UQKROXKCBJTFSK-OAHLLOKOSA-N 320.344 4.116 0 40 DIAB CCOc1ccc2cc(CNc3ccc(C)cc3C)c(=O)[nH]c2c1 13561348 KFWARUVRRWNRMN-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB CC(C)c1nc(CC(=O)N2CCc3sccc3[C@H]2C)cs1 31714946 ZHDCIUPYAHCKFT-LLVKDONJSA-N 320.483 4.016 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cc1 32610317 QPJXNLUAJFQFTP-INIZCTEOSA-N 304.393 4.277 0 40 DIAB Cc1ccsc1C(=O)Nc1cccc(OC(F)(F)F)c1 32908575 KRUHRSYKEVAGFM-UHFFFAOYSA-N 301.289 4.207 0 40 DIAB COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1OC 44672362 IICAATBTLIACJN-UHFFFAOYSA-N 308.333 4.222 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1 44900693 UNMNSPTZKKQKRV-JKSUJKDBSA-N 311.425 4.202 0 40 DIAB CCCOc1ccc(CNC(=O)c2ccccc2Cl)cc1 46179559 KMIVPBQDPSABGH-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB Cc1[nH]ncc1C(=O)Nc1ccc(SC2CCCC2)cc1 63766981 FMNDDWICJPVELQ-UHFFFAOYSA-N 301.415 4.005 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)NCC3CCC3)s2)c(C)c1 84142165 KZPCTANIJDINGB-UHFFFAOYSA-N 314.454 4.265 0 40 DIAB FC(F)(F)c1cc(Br)ccc1NN1CCCCC1 95081575 CSBPGSUXWYBULL-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB CCN(C(=O)CC1CCSCC1)[C@H](c1cccnc1)C(C)C 95416907 MFWWUDUESWOONG-SFHVURJKSA-N 320.502 4.161 0 40 DIAB Cc1c(CNC(=O)N(C)[C@@H](C)c2cccnc2)oc2ccccc12 96406876 QSJKPCZLNRTFFL-AWEZNQCLSA-N 323.396 4.039 0 40 DIAB CC(C)=CCC/C(C)=C\CC/C(C)=C(/O)CP(=O)(O)O 113210649 ACBOJOPFHNLMLX-JIIHXHDGSA-N 302.351 4.469 0 40 DIAB CCOc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 219954156 YAUMUUVMXSJIOW-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB Cc1ccccc1CSCC(=O)NC[C@@H](C)c1ccccc1 223397515 AULZUSBPCQIYEM-MRXNPFEDSA-N 313.466 4.148 0 40 DIAB CCC[C@@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225383799 CHBCTLAWCDRKRV-CYBMUJFWSA-N 306.475 4.483 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1 225498831 IJLLMYZRNDTIEZ-LJQANCHMSA-N 309.409 4.362 0 40 DIAB Fc1cccc(C[n+]2ccc(-c3nc4ccccc4s3)cc2)c1 226307562 RTVFJEJUEABWJX-UHFFFAOYSA-N 321.400 4.438 0 40 DIAB CCOc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O 70988 OPHWBTXQDRYMNW-MIFVOYFBSA-N 319.360 4.095 0 40 DIAB O=S(=O)(/C=C/c1ccccc1)c1cc(Cl)ccc1Cl 105486 FJTHFGMKPHQQIN-CMDGGOBGSA-N 313.205 4.438 0 40 DIAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 536051 WJRUYSMPAWJXJF-GHMZBOCLSA-N 314.820 4.247 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 1695623 AJJIJMOHVJJIBW-UHFFFAOYSA-N 315.372 4.478 0 40 DIAB COc1ccccc1OCCCC(=O)Nc1cccc(C)c1C 1892968 IMEPGWAHZGYTDS-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CC[C@@H](C)NCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3291322 YQCSRUWKEYPQOD-CQSZACIVSA-N 323.440 4.141 0 40 DIAB COc1ccc2nc(Nc3nc(C)c(C(C)=O)s3)sc2c1 4137736 HNZGQEGSNWJQGB-UHFFFAOYSA-N 319.411 4.016 0 40 DIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4545456 QACCXXVGDSLICR-YMTOWFKASA-N 302.399 4.285 0 40 DIAB Oc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)cc1 4699557 AVQOZVSXYYCANR-UHFFFAOYSA-N 303.774 4.308 0 40 DIAB Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 5392743 OFKXVYAOZKACMM-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB CCc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1 6752034 VZGOTRNDAWSSLS-UHFFFAOYSA-N 323.787 4.237 0 40 DIAB Cc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 6852582 SXBFAFBSBQSPJQ-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1 7653633 ZAMQBHFLUNPBSL-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12 7655291 TXGYBVLWMJXHNU-UHFFFAOYSA-N 314.747 4.209 0 40 DIAB O=C(NC1CC1)[C@H](Sc1ccccc1Cl)c1ccccc1 7910889 IGNHBWHOJPDOIF-MRXNPFEDSA-N 317.841 4.452 0 40 DIAB COc1cccc(C=O)c1Nc1ccc(Br)cc1 8703695 DLAMTGYEEOXFTO-UHFFFAOYSA-N 306.159 4.014 0 40 DIAB Cc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)o1 11916254 WUUUIRFVSPLGEF-UHFFFAOYSA-N 307.353 4.222 0 40 DIAB Cn1ccnc1Sc1ncnc2sc(-c3ccccc3)cc12 12546289 WCABJKJLYNCKBH-UHFFFAOYSA-N 324.434 4.243 0 40 DIAB CC[C@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(C)cc1 12785748 SHKSEDBHYPMQJR-INIZCTEOSA-N 312.413 4.024 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCc2ccccc21 12872884 OZCMWAXHFCBLHQ-CQSZACIVSA-N 312.438 4.081 0 40 DIAB CCOc1ccc2nc3c(cc2c1)CN(c1ccccc1)CCO3 13561486 HEEFJLDHNBOOMG-UHFFFAOYSA-N 320.392 4.033 0 40 DIAB O=C(NCCOc1ccccc1)c1ccc(-c2ccccc2)cc1 16009533 SKCAQFXQHGKUKN-UHFFFAOYSA-N 317.388 4.162 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 19931405 CCMWITCSIJMVPL-CXAGYDPISA-N 317.816 4.375 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2cc(C)ccc2C)cc1 20108058 ZEGCFCYPWQEISS-UHFFFAOYSA-N 313.466 4.063 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c(C)c1 20451100 NXKXKUUGAPIIMD-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB C[C@@H](NC(=O)NCc1ccccc1F)c1ccc(Cl)s1 27350075 PTSVATLEUSCUKH-SECBINFHSA-N 312.797 4.101 0 40 DIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCCCC1 28244907 HEPSYQYMBGHYFS-UHFFFAOYSA-N 314.454 4.059 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3c(Cl)cccc23)cc1 34925918 YWKRAWDCPSMUJL-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB CCN(CC)[C@@H](CNC(=O)Nc1ccc(F)cc1C)CC(C)C 40103543 DULULSBVESGHNZ-MRXNPFEDSA-N 323.456 4.012 0 40 DIAB O[C@H](CSCc1ncc(-c2ccccc2)o1)c1ccccc1 40134564 SNWHEOQUFBTZMY-MRXNPFEDSA-N 311.406 4.308 0 40 DIAB O=C(c1cccs1)N1CC=C(c2c[nH]c3ccccc23)CC1 44892237 LJJCAJOEYKHLNV-UHFFFAOYSA-N 308.406 4.159 0 40 DIAB CC(C)c1ccc2nc(CO[C@H]3CCCC[C@@H]3C)[nH]c(=O)c2c1 57771813 XTZCLJRKOHCWAS-GUYCJALGSA-N 314.429 4.142 0 40 DIAB CCOc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1 60976716 YYOPOJBYCQRWAQ-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB C[C@@]12CCCC(=O)[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 68677139 XCTUOBOQUJSQJX-PLACYPQZSA-N 305.421 4.448 0 40 DIAB Cc1ccc(Oc2ccccc2NC(=O)Cc2cc(C)on2)cc1 71905589 DFXQEKAUVSBJIM-UHFFFAOYSA-N 322.364 4.265 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cc(C)ccc1C 78458774 WUTSNHSNNHMFOU-ZDUSSCGKSA-N 317.816 4.456 0 40 DIAB Cc1cc2nc(Br)sc2cc1Br 95950040 DELQHMYPHAPIDS-UHFFFAOYSA-N 307.010 4.130 0 40 DIAB FC(F)c1nnc(NCc2cccc(-c3cccnc3)c2)s1 97115608 JRTXRQDCDAZSKY-UHFFFAOYSA-N 318.352 4.150 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@H]1CC[C@@]2(C)O 118931149 AYKGDFHRLXZLQY-INCXTXFYSA-N 304.474 4.061 0 40 DIAB Fc1cccc(CCNc2ncnc3cc(Cl)ccc23)c1 170596985 RZWOTULDRYWRST-UHFFFAOYSA-N 301.752 4.077 0 40 DIAB CC(C)(C)[Si](C)(C)OCc1cc(Br)ccn1 202944061 AGAZAXKMRBMPGQ-UHFFFAOYSA-N 302.288 4.366 0 40 DIAB CN(C(=O)CSCc1c(F)cccc1Cl)C1CCCC1 216348875 YBNHWSIPMWAAEI-UHFFFAOYSA-N 315.841 4.113 0 40 DIAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)CC(C)C 224336104 CBSDILREQTUZOY-UHFFFAOYSA-N 317.364 4.009 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 225645550 ZQQSGZRGQLRRSZ-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(Cl)c1 225781516 HPWMPGNBLIMLGQ-GFCCVEGCSA-N 320.845 4.094 0 40 DIAB N#Cc1cccc(C(=O)N[C@H](c2ccsc2)c2cccs2)c1 390826477 MESJHWVEVQWYDL-MRXNPFEDSA-N 324.430 4.201 0 40 DIAB CO[C@@H](c1ccccc1)c1nnc(COc2cc(C)cc(C)c2)o1 521393790 ZXFGPEBAVGKFNM-SFHVURJKSA-N 324.380 4.001 0 40 DIAB CCOc1ccccc1NC(=O)CSCc1ccc(F)cc1 1290518 NLFVEWIVEQNKPZ-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB CC(C)(C)OC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl 2582930 PYXUNVAXVVLMSZ-UHFFFAOYSA-N 306.145 4.039 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 3487724 RRPSFJRGIRJISN-UHFFFAOYSA-N 310.422 4.060 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3881898 GCKMFJBGXUYNAG-MUJBESKKSA-N 302.458 4.269 0 40 DIAB biogenic O=C(NCc1cccc(Cl)c1-n1cccc1)C1CCCCC1 4054842 VEFDVFAVLSDHAU-UHFFFAOYSA-N 316.832 4.327 0 40 DIAB O=c1[nH]c(SCc2cccc3ccccc23)nc2c1CCCC2 11903571 ZBNPVXGNGFGIMI-UHFFFAOYSA-N 322.433 4.094 0 40 DIAB CC(=O)c1cc(C(=O)N[C@H](c2cccs2)C(C)C)cs1 12200583 ROAVFKRPRQFOFF-AWEZNQCLSA-N 307.440 4.139 0 40 DIAB Cc1ccc(C)c(NCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 12493075 PUSPEHIEDLAIIJ-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 12983168 DTLAOWGXMWZBTP-LBPRGKRZSA-N 303.789 4.472 0 40 DIAB CC(=O)Nc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc1 14138745 HIQSLPACDZSJBO-OAHLLOKOSA-N 322.452 4.375 0 40 DIAB S=c1n(CN2CCC[C@H]2c2ccccc2)cc2ccccn12 14309195 BZGNDVCWURUFSI-KRWDZBQOSA-N 309.438 4.265 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 15028458 GYEOSVISZGXLJX-JTQLQIEISA-N 323.364 4.093 0 40 DIAB Clc1ccc(-c2c[n+](CCc3ccccc3)c3n2CCC3)cc1 17206736 XVWWXTRNPLMRAS-UHFFFAOYSA-N 323.847 4.285 0 40 DIAB O=C1[C@H]2CC3=C(CC=CC3)C[C@H]2C(=O)[C@H]2CC3=C(CC=CC3)C[C@@H]12 18154148 JDRLKDPCXUHELF-JVSBHGNQSA-N 320.432 4.484 0 40 DIAB biogenic O=C(CSCc1ccc(F)cc1)Nc1cccc(Cl)c1 20034789 HYSWWLKLQMHGAK-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB Cc1cc(NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 20139474 SHUHPMAIMPKPFP-UHFFFAOYSA-N 313.378 4.061 0 40 DIAB O=C(O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 20526791 HYFRPOOYDSMYAF-QPJJXVBHSA-N 306.720 4.156 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1 22530472 HSCUBOFKQLOXKH-KDOFPFPSSA-N 315.388 4.169 0 40 DIAB S=C1SCN(C2CCCCC2)CN1Cc1ccccc1 23604098 RLAGJAZCYNFGCN-UHFFFAOYSA-N 306.500 4.070 0 40 DIAB Cc1csc2nc(COc3ccccc3)c(Br)n12 27093298 CYMLWUKNDLXVFK-UHFFFAOYSA-N 323.215 4.046 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCc2ccccc21 30867595 JKKOWMYCNLNFLY-HNNXBMFYSA-N 309.409 4.167 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1ccc2oc(C3CC3)nc2c1 32818718 VHJZEJYFZSNNBH-UHFFFAOYSA-N 310.328 4.026 0 40 DIAB CCCN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C 40119973 KTQVVNNLBGXOGK-UHFFFAOYSA-N 305.853 4.043 0 40 DIAB Cc1cc(C)c(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c(C)c1 40155139 DCKHZRDMYGMXPY-QGZVFWFLSA-N 308.381 4.068 0 40 DIAB CCOc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3C)sc2C)cc1 40159998 BQYLIENQHPLNMC-YGRLFVJLSA-N 316.426 4.112 0 40 DIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 44837641 SCHMVLNNPJNQJG-UHFFFAOYSA-N 321.380 4.036 0 40 DIAB C[C@@H]1c2cccn2CCN1Cc1csc(Cc2ccccc2)n1 51498788 AGXQQBFDXMRZLF-OAHLLOKOSA-N 323.465 4.112 0 40 DIAB CCC[C@H](C)NC(=O)CSCc1c(F)cccc1Cl 57684106 PWTHKPNCYSPRCI-JTQLQIEISA-N 303.830 4.017 0 40 DIAB CCCCn1c(S[C@H](C)c2nnc(CC)o2)nc(C)c1C 71893956 XOYJOYUSJXDJHS-GFCCVEGCSA-N 308.451 4.099 0 40 DIAB CC(C)CN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214322 CAJFQOJBNCYODC-HNNXBMFYSA-N 319.449 4.222 0 40 DIAB CCCN1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219238 DJHAPLGMHCFJCY-GOSISDBHSA-N 301.478 4.317 0 40 DIAB CCOC(=O)CCCOc1cc(C(F)(F)F)ccc1Cl 95733731 UHDVZMRWIQOWGX-UHFFFAOYSA-N 310.699 4.081 0 40 DIAB Clc1cc(Br)ccc1-n1ccc2cccnc21 95915885 UZRLBBOSBKZSDS-UHFFFAOYSA-N 307.578 4.441 0 40 DIAB CCC1CCC(N(C(=O)c2coc(C3CC3)n2)C2CC2)CC1 95941717 BQRWZFPTSUXQJC-UHFFFAOYSA-N 302.418 4.125 0 40 DIAB COc1cc(CN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 102908931 VBJLJOVEFPWEFT-LSBZLQRGSA-N 303.446 4.008 0 40 DIAB Fc1ccc(-c2nnc(Cn3ccc4ccccc43)s2)cc1 199405833 FYKDRINJOBSHSC-UHFFFAOYSA-N 309.369 4.347 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccccc1 216349699 QSYQQEHSPFYVME-GOSISDBHSA-N 311.425 4.119 0 40 DIAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COCC(C)C)c1 224741707 OJWPFQXFLRHVIZ-HNNXBMFYSA-N 321.461 4.176 0 40 DIAB Cc1cccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c1C 225022370 SQQCVZQQRJGSET-INIZCTEOSA-N 304.773 4.032 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(OC(C)C)c1 225037342 VGHPFYAFGLKTKL-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1)C1CC1 225724867 KNQJASUJTWFITB-AUUYWEPGSA-N 319.445 4.316 0 40 DIAB C[C@H]1CCC[C@@H](C)N1c1c(Cl)cc(N)cc1Br 226316481 FVOGJLOWIDSTRH-DTORHVGOSA-N 317.658 4.452 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 253617313 IBAJBHMZVIYPNR-DVIXLVCNSA-N 304.474 4.349 0 40 DIAB Cc1cc(C(=O)N(C)c2ccc(-c3ccccc3)cc2)ccn1 576341047 PAKOZVMUAPODPB-UHFFFAOYSA-N 302.377 4.334 0 40 DIAB N[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1cccc(Br)c1 1536221938 OCUKHHOBGYMHTG-BZUAXINKSA-N 302.215 4.253 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1noc2c1CCCCC2 426568 VMLIHUKCMGMZGO-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB COc1ccc(C(=O)N(C)c2nc(-c3ccccc3)cs2)cc1 882025 KTGNVFFTMYQKQL-UHFFFAOYSA-N 324.405 4.095 0 40 DIAB CN(C)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628143 KBGPTRHFMZERIT-OAJJDEHYSA-N 301.817 4.105 0 40 DIAB O=C1c2c(ccc3c2CCC3)C[C@H]1Cc1ccc2c(c1)CCC2 1645333 VYQUWDRIXTYVHL-LJQANCHMSA-N 302.417 4.262 0 40 DIAB C[C@@H](Cc1ccccc1)NCCCCN[C@H](C)Cc1ccccc1 3058784 WQJMQJVSPXMDNH-BGYRXZFFSA-N 324.512 4.208 0 40 DIAB Cc1cccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c1 3432565 WQQQJIMAAHHNID-UHFFFAOYSA-N 308.303 4.064 0 40 DIAB COc1ccc(C(=O)Nc2ccc3c(c2)N[C@@H]2CCCC[C@H]32)cc1 4053778 LBDJUXTWZRBICZ-SJLPKXTDSA-N 322.408 4.399 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc3cc(F)ccc3[nH]2)C1 5322435 OCEHOAORJKBIMH-LIRRHRJNSA-N 314.404 4.348 0 40 DIAB O=C(COC(=O)c1ccccn1)c1ccc(C2CCCCC2)cc1 5863931 SYFUUVHMLPLKNC-UHFFFAOYSA-N 323.392 4.169 0 40 DIAB CCCCc1ccc(NC(=O)CNc2cccc(C(C)=O)c2)cc1 5940055 DHVADZMEVDXNNB-UHFFFAOYSA-N 324.424 4.282 0 40 DIAB CCCc1cc(C(=O)Nc2ccc(OC)cc2OC)sc1C 6288928 SKDLULVTWLNQLB-UHFFFAOYSA-N 319.426 4.279 0 40 DIAB O=C(Nc1nccs1)c1ccc(-c2cccc(Cl)c2)o1 6882450 QORJPMCZSMSFII-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC)c1 8041474 ZUSRZVFMPMIYMF-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC[C@@H]2CCCO2)n1 9575612 ZMYBGOCEHBTMCC-LBPRGKRZSA-N 313.426 4.191 0 40 DIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 11565697 MERQMAIZKXALFF-IRXDYDNUSA-N 323.392 4.183 0 40 DIAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1C 11994581 IYIDPHNTOHLVBH-UHFFFAOYSA-N 320.772 4.324 0 40 DIAB Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12533991 XCCITWDYMQIJRU-UHFFFAOYSA-N 309.394 4.096 0 40 DIAB Cc1ccccc1CN(C)C(=O)CCc1c[nH]c2ccccc12 12696895 WJZUXRRMVUZAHR-UHFFFAOYSA-N 306.409 4.068 0 40 DIAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCC2)c1 12817854 KTMQZEONADADBE-UHFFFAOYSA-N 323.396 4.459 0 40 DIAB CCc1ccc(-c2csc(NC(=O)c3ccc(C)nc3)n2)cc1 14201842 DETMSYSFBNJWRG-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB O=C(CSc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 16120299 OLSASNXEZZWIJT-UHFFFAOYSA-N 324.760 4.183 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@H](c2cccc(C)c2)CC3=O)cc1 17053893 ZILANSIZYUMFQB-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)c1 20194205 KJXOZYOVFGKVRO-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB COc1cc(CO)cc(Cl)c1OCc1cccc(Cl)c1 20377319 WLOJWSCKJAARRK-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25238512 ZLYUAPIHHSOUAS-NXEZZACHSA-N 304.287 4.068 0 40 DIAB Cc1oc(-c2cccs2)nc1CN1CCOc2ccccc21 40072449 ACRHIPGWBCKLJV-UHFFFAOYSA-N 312.394 4.111 0 40 DIAB c1ccc(C2=N[C@@H]3N=C(c4cccs4)S[C@H]3S2)cc1 41097575 VQTDDZJWSUBKFQ-BXUZGUMPSA-N 302.449 4.087 0 40 DIAB CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 42783539 YFZCQVQVIOVPFM-UHFFFAOYSA-N 300.711 4.390 0 40 DIAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 43145999 AIORSRXYPRGOMG-NSHDSACASA-N 320.339 4.246 0 40 DIAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(OC)c(Cl)c1 45889548 LUIHTXZFQQGECM-UHFFFAOYSA-N 318.804 4.054 0 40 DIAB Cc1ccc(/C=C/C(=O)N(Cc2cccs2)C2CC2)s1 74438164 MBIZMYMNMKPKGU-CMDGGOBGSA-N 303.452 4.322 0 40 DIAB c1ccc(COc2ccccc2-c2noc([C@@H]3CCCO3)n2)cc1 74448214 HBCWESCOSSOMBW-KRWDZBQOSA-N 322.364 4.167 0 40 DIAB O=C(CCCC1CCCCC1)N1CC[C@@H](Nc2ccccc2)C1 84553350 XQNSCGNKBHQYLO-LJQANCHMSA-N 314.473 4.450 0 40 DIAB CC[C@H](C)C[C@H](C)NC(=O)c1sccc1Br 88301820 BPQHKMWNERHHIA-IUCAKERBSA-N 304.253 4.065 0 40 DIAB C[S@@](=O)Cc1cccc(NCc2csc3ccccc23)c1 95429164 RPVMJPPEWZKACW-NRFANRHFSA-N 315.463 4.392 0 40 DIAB Cc1ccccc1CNCCCSC(F)(F)C(F)(F)F 95918305 CQSBEBASYCWINT-UHFFFAOYSA-N 313.335 4.363 0 40 DIAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1ccccc1O 100460721 BWPLCWHZPNQQNT-RIYZIHGNSA-N 318.785 4.043 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103109268 LAATVQURGJINLT-REWJHTLYSA-N 323.889 4.373 0 40 DIAB Fc1ccc(-c2ccc3c(Br)nsc3n2)cc1 217730687 XRNPLRUXMDFHPB-UHFFFAOYSA-N 309.163 4.260 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226356314 ZBFIGIXXBBTIGB-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB Cc1cccc(CC(=O)NCCCc2cc3ccccc3o2)c1 390831413 RSCUAKDLJDZUSV-UHFFFAOYSA-N 307.393 4.033 0 40 DIAB CC(C)(C)C(=O)Nc1c(Cl)c(C2CC2)nn1-c1ccccc1 165547 XQCBYPDAGBSMFQ-UHFFFAOYSA-N 317.820 4.388 0 40 DIAB COc1c(C(=O)Nc2ccc(C(C)=O)cc2)ccc2ccccc12 341893 BGXZMZODVBUPRF-UHFFFAOYSA-N 319.360 4.303 0 40 DIAB CCC(CC)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 367854 ZORORVOVHNIZCV-UHFFFAOYSA-N 316.426 4.375 0 40 DIAB Cc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)cc1 386098 XSRUKVWVCQSKMB-JTQLQIEISA-N 315.225 4.331 0 40 DIAB Cc1nc(N2CCc3ccccc3C2)c2c3c(sc2n1)CCC3 1465693 UPPVTDMBYUEHET-UHFFFAOYSA-N 321.449 4.051 0 40 DIAB CCOc1ccc([C@@H](C)c2cc3c(cc2OCC)OCO3)cc1 1582281 SBVZBWOMJAGKPQ-CYBMUJFWSA-N 314.381 4.365 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1C 1924762 QZTUSNPQUXIIHN-CSKARUKUSA-N 301.773 4.309 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCC[C@@H](C)C1 2795807 IGPYIFUVNQMBFG-CYBMUJFWSA-N 309.837 4.066 0 40 DIAB Cc1ccc(C(=O)N2CCSc3cc(Cl)ccc32)cc1 3016159 XADSTUSKQMTZDB-UHFFFAOYSA-N 303.814 4.401 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)n1 3236196 CHQXXSYZOQFQKO-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1 3598340 RCGVIPOAXWZBJC-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB Cc1cccc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 4903752 BBXOCGJFKPOPQY-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB Cc1cc(C(=O)OCc2csc(-c3ccccc3)n2)c(C)o1 4930485 YQRYMAPDGWTPST-UHFFFAOYSA-N 313.378 4.377 0 40 DIAB Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccc(F)cc1 5346872 FXGCWGIUEQKJAU-UHFFFAOYSA-N 307.752 4.113 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2oc1=O 5618218 VBRQIHQCCWFIKP-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(c1ccccc1)N(Cc1ccc(F)cc1)Cc1ccco1 6747490 LHCALNVJXLYGOQ-UHFFFAOYSA-N 309.340 4.261 0 40 DIAB COCc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 7525917 VGQDGVXGOXRWHX-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB COc1c(C)cccc1C(=O)Nc1nc2ccc(C)cc2s1 9141191 LYGJVOKICBLZGX-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1cccc2cccnc12 10856878 OQCRVIXOSLLBFM-UHFFFAOYSA-N 307.349 4.025 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(Cl)cc2)C1 12359697 BJQUMJXXYPZQPF-CQSZACIVSA-N 311.809 4.118 0 40 DIAB Cc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C)cc1 12546360 KQVGJKCLBVEHCI-ZDUSSCGKSA-N 310.422 4.245 0 40 DIAB CN(Cc1cccs1)c1nc(C(F)(F)F)nc2ccccc12 12567397 IQMUBZMLESNMKN-UHFFFAOYSA-N 323.343 4.347 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12622000 JYYVKQVSEFQODT-INIZCTEOSA-N 315.413 4.409 0 40 DIAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCCC1 12938343 NXTJDTUWNCAKTR-UHFFFAOYSA-N 320.845 4.065 0 40 DIAB C[C@@H]1CCc2c(sc3nc(C4CCCCC4)[nH]c(=O)c23)C1 13535052 QWTKLSQYJMPLGD-SNVBAGLBSA-N 302.443 4.157 0 40 DIAB COc1ccc(C(=O)NCC23CCC4C[C@@H](C[C@@H](C4)C2)C3)cc1 13619071 DJQLABPNIOEGHE-QKSYQBNISA-N 313.441 4.032 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(Cl)c1 14022258 VSOYXDKWWDWHEZ-INIZCTEOSA-N 303.789 4.445 0 40 DIAB Cc1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1 14397421 WVMZYFHZKQYOFH-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1 14646139 WSNZBGPEUOAYCT-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB CN(C)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 17360964 BHZFTTKEANGBBU-UHFFFAOYSA-N 312.413 4.008 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(C)[nH]1 32817838 HVSSVAAXZHQWMW-SNVBAGLBSA-N 310.319 4.141 0 40 DIAB O=C(c1ccc2ccccc2c1)N1CCC[C@H]1c1cccnc1 32837277 SLMCQJWCTQMXKU-IBGZPJMESA-N 302.377 4.212 0 40 DIAB c1cc(CNc2nc3ccccc3s2)cc(Cn2cccn2)c1 54837028 AAHGBSJHSVHOTC-UHFFFAOYSA-N 320.421 4.153 0 40 DIAB NC(=O)c1cccc(-c2nc(-c3cc4ccccc4o3)cs2)c1 58149494 QIAYJWHXABPUDK-UHFFFAOYSA-N 320.373 4.322 0 40 DIAB C[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 60548091 HXDXSJLQUOXYKA-IAGOWNOFSA-N 312.457 4.213 0 40 DIAB Cc1ccc([C@@H]2CCCN2Cc2ccc([S@](C)=O)cc2)s1 93102805 QKTCBUHODUGECC-HRAATJIYSA-N 319.495 4.131 0 40 DIAB Cc1ccsc1[C@@H](C)NCc1ccc(Cn2ccnc2)cc1 95420159 BUHOETIKGKRJSY-OAHLLOKOSA-N 311.454 4.152 0 40 DIAB CCOCc1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 95451716 VBDJCGCMHJCOEQ-LJQANCHMSA-N 309.409 4.355 0 40 DIAB Cc1ccc(C)c2c1CCC[C@@H]2N1CCC(N2CCCC2)CC1 95453388 WGFCMUNGVPPUDF-FQEVSTJZSA-N 312.501 4.241 0 40 DIAB F[C@@H]([C@@H](F)Oc1ccc(Br)cc1)C(F)(F)F 97437824 OWPBPPDASUOTOE-YUMQZZPRSA-N 305.040 4.024 0 40 DIAB CC(C)CC[C@@](C)(O)CNc1nc(C(F)F)nc2ccccc12 97596968 HVZVQKSGCPJXGU-QGZVFWFLSA-N 323.387 4.167 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 109037791 HWKFAEVJPVTXFF-ZYSHUDEJSA-N 315.457 4.054 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223197683 MKKWKYBDOWUSIA-INIZCTEOSA-N 323.436 4.048 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223231543 SGUCSJZNAUGUHF-AWEZNQCLSA-N 309.409 4.065 0 40 DIAB C[C@@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccccc21 223237865 RHYJFNRVFNGCLV-LLVKDONJSA-N 324.262 4.479 0 40 DIAB CC(C)CSc1nnc(NC(=S)Nc2ccccc2)s1 223798430 FVSOWYTXFHUHQG-UHFFFAOYSA-N 324.500 4.095 0 40 DIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)nc1C 225908201 PCIFCKJIPNLIMP-SFHVURJKSA-N 322.449 4.103 0 40 DIAB COc1ccc(CCCC(=O)N[C@@H](C)c2ccccc2)cc1C 408915863 RCSJYPPTFIIAME-INIZCTEOSA-N 311.425 4.204 0 40 DIAB Cc1ccncc1CNc1ccc(-c2cn3ccccc3n2)cc1 525979775 VWHGOAJQPPJKLT-UHFFFAOYSA-N 314.392 4.317 0 40 DIAB c1ccc([C@H](CN[C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C2CC2)cc1 576592011 ZONGNLZNJUCIRF-MXEMCNAFSA-N 313.485 4.365 0 40 DIAB Cn1c(CSc2nc3ccccc3s2)nc2ccccc21 122808 HKWHBXMJRSNVSG-UHFFFAOYSA-N 311.435 4.475 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)[C@H](C)CCC3 2362044 FCOLWRCXKXFTIY-SECBINFHSA-N 324.409 4.347 0 40 DIAB COc1ccc(C(=O)CCc2cccc(Br)c2)cc1 2516698 FSPSQQDSZUVFAU-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB O=C(CCc1ccc(Br)cc1)c1cccc(F)c1 2516763 JWXXJLCEFKMYPW-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB CCN(C[C@H](O)COc1ccccc1C(C)C)C1CCCCC1 2694375 BQMPECYWPWRCHF-SFHVURJKSA-N 319.489 4.204 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)Sc2ccc3c(c2)OCCO3)cc1 3489468 KGWSLDSMBBYWCQ-CYBMUJFWSA-N 314.406 4.130 0 40 DIAB CC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 3528474 TVYHETRRGSDWRX-UHFFFAOYSA-N 307.349 4.125 0 40 DIAB Cc1cccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)c1 4734141 TZUHTYIMCNBSJD-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB COc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(C)c2c1 5270334 CKEYKRJUAHPZNV-UHFFFAOYSA-N 312.413 4.105 0 40 DIAB C[C@]1(c2ccc3c(c2)CCCC3)NN=C(c2ccccc2)S1 5528601 USVMZGOXXMJLNC-IBGZPJMESA-N 308.450 4.436 0 40 DIAB C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 7094118 UIOUSYJTLWKTSY-ZDUSSCGKSA-N 319.857 4.451 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1cccs1 7983926 JTKXCTXWHNZVMS-CYBMUJFWSA-N 314.435 4.335 0 40 DIAB CCOc1ccccc1/C=C1/N=C(/C=C\c2ccccc2)OC1=O 8642189 OPHWBTXQDRYMNW-XGTYQIHLSA-N 319.360 4.095 0 40 DIAB O=C(NCc1nc2ccccc2s1)[C@H]1CCCc2ccccc21 13019184 UXPRVQHSCOVOBU-HNNXBMFYSA-N 322.433 4.033 0 40 DIAB Fc1ccc(CSc2nnc(NCc3ccco3)s2)cc1 14161651 OOAJVQRCHZNMHY-UHFFFAOYSA-N 321.402 4.175 0 40 DIAB COc1ccc(C)cc1/C=C1\N=C(/C=C/c2ccccc2)OC1=O 15544090 HKQZWYDDJBADRC-YEXUMRHMSA-N 319.360 4.013 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1F 15576691 OEUGHNLSJKHTRB-UHFFFAOYSA-N 307.796 4.178 0 40 DIAB CCc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c1 16431354 SMWWJQKTEDFHLR-CQSZACIVSA-N 314.404 4.020 0 40 DIAB Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC[C@@H]2CCOC2)cc1 19336274 PEGLNXLVCZXCRE-DYTYQCPDSA-N 319.876 4.238 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccccc2)cc1 20050830 GVGVAYRVFKAFPV-IBGZPJMESA-N 311.425 4.141 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC1=CCCCC1 20492310 XPWVCNNYHMPRPF-GOSISDBHSA-N 315.457 4.468 0 40 DIAB CC[C@H](C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 22414978 IGLKEFSPDCJWNY-ZDUSSCGKSA-N 301.361 4.280 0 40 DIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccs1 24293166 JHDALWNWAXPWKJ-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(NC(C)(C)C)n1 32666081 SXQHCVMCZTXCOO-UHFFFAOYSA-N 321.446 4.142 0 40 DIAB CCCc1cc(C(=O)Nc2ccc(C(=O)OC)s2)sc1C 32808689 PSUNOJYVPWUMAH-UHFFFAOYSA-N 323.439 4.109 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)CCCc1ccccc1 36391027 NFAQYHYYLCPEBQ-INIZCTEOSA-N 311.425 4.204 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 36623276 GFGVEQIZRHOBJT-UONOGXRCSA-N 315.388 4.033 0 40 DIAB C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 40134917 NDNJZFILQMSSFE-ZDUSSCGKSA-N 311.429 4.007 0 40 DIAB COc1cc(Cl)ccc1C(=O)N(C1CC1)[C@H](C)c1ccco1 67057882 IOZFSAVNRNFZJL-LLVKDONJSA-N 319.788 4.307 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 72331640 MCRHCOVNSWRPJD-OAHLLOKOSA-N 305.299 4.123 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)c1cc(Cl)ccc1F 72331692 YHMUWQWBTHLKMW-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H]1CCC(=O)N1Cc1ccccc1 85430300 FNJCJHGXSRJKTF-GOSISDBHSA-N 304.393 4.340 0 40 DIAB O=C(CCc1ccccc1F)N1CCC(c2cccs2)CC1 96120599 ASLXDJSBPUVCNU-UHFFFAOYSA-N 317.429 4.226 0 40 DIAB C[C@@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@@](C)(C3)C2 100980703 LRFUYLAMPZGXQB-MJGSYPLASA-N 304.478 4.367 0 40 DIAB Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 191939870 WNYSYKMKMIUFKN-UHFFFAOYSA-N 323.396 4.222 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N1[C@H]2C=CC[C@H]1CC2 208019375 YWFCLXCDUOGCHH-KBPBESRZSA-N 310.224 4.246 0 40 DIAB O=Cc1cn(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12 216955046 CINWTKSOYYLWHK-UHFFFAOYSA-N 318.159 4.449 0 40 DIAB COC(=O)c1cn(C(=O)/C=C/c2ccc(C)cc2)c2ccccc12 222572530 NHKNWTBOEWKOHD-VAWYXSNFSA-N 319.360 4.090 0 40 DIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3C)N21 222640809 ZYDSTRKZULHDRE-BMGDILEWSA-N 323.465 4.369 0 40 DIAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 222899194 ZHMCJXJKFAKMCU-QGZVFWFLSA-N 309.409 4.336 0 40 DIAB Cc1cccc(C)c1NC(=O)COc1cccc2c1CCCC2 225319677 SVAOAIKFEOODSG-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccccc1C 225395812 WXLNTKSVLXICMN-INIZCTEOSA-N 301.361 4.024 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225691683 UIZRYEKQBZDVMV-RDTXWAMCSA-N 307.434 4.398 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225700825 NGUMVZMCRUDISU-GOSISDBHSA-N 307.434 4.236 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)NC1CCCCC1 225757389 AYIWFSIKTOTZHP-INIZCTEOSA-N 316.445 4.229 0 40 DIAB CCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352301 SMIVLFGYZHOMEN-UHFFFAOYSA-N 307.733 4.037 0 40 DIAB C[C@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@@H](CO)[C@H]2CCc1ccoc1 504747797 XAXWAJGTWLGWSN-OMQSBVIBSA-N 320.473 4.036 0 40 DIAB biogenic Nc1cc(F)ccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250499 WBHWMYJXLCBQKI-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1 237488 KIQKNOSKYQWLAW-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB CC(C)(C)c1ccc(OC2=CS(=O)(=O)c3ccccc32)cc1 460066 MZCJUXLIDBJJRG-UHFFFAOYSA-N 314.406 4.149 0 40 DIAB Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CCC(C)(C)O2 491046 HHZWLIVUMJCFEO-UHFFFAOYSA-N 312.409 4.474 0 40 DIAB biogenic Cc1ccc(Nc2cc(C)nc3c4c(C)cc(C)nc4nn23)cc1 2212647 GLAMENKVBBXMBD-UHFFFAOYSA-N 317.396 4.255 0 40 DIAB O=C(c1cccc(CN2CCC2)c1)c1cccc(Cl)c1Cl 2515139 ZCUDPXBMRLGOCW-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)C1 3217229 UTZSZMDQQUJVML-CQSZACIVSA-N 320.392 4.367 0 40 DIAB COc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1 3462307 IEOQYKCJHUFIKQ-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB O=C(O)CCC1=NN(c2ccccc2)[C@H](CCc2ccccc2)C1 3845491 ANRGJEWSEBYCRS-LJQANCHMSA-N 322.408 4.119 0 40 DIAB biogenic CCc1ccc(C(=O)Nc2cccc(Br)c2)cc1 5558303 NOVDLHBIVBQROJ-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB CCCn1c(NC(=O)c2ccc(CC)cc2)nc2ccccc21 6153926 CLXDUHYNBPSEAF-UHFFFAOYSA-N 307.397 4.261 0 40 DIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1 7003102 YPCGXKOAYDSPAJ-MRXNPFEDSA-N 323.440 4.116 0 40 DIAB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)c1ccccc1 7037016 QQDHZVDUQSXRRF-GOSISDBHSA-N 311.425 4.277 0 40 DIAB c1ccc(OCCCSc2nc(-c3cccs3)n[nH]2)cc1 7829318 FZKRCMGXYPWOPI-UHFFFAOYSA-N 317.439 4.094 0 40 DIAB Cc1nc2cc(NC(=O)Cc3cccc4ccccc34)ccc2o1 8406757 CIQYRTOEJSBQHE-UHFFFAOYSA-N 316.360 4.471 0 40 DIAB CC(=O)Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 11005843 ZMPRPCSNKUHQFZ-UHFFFAOYSA-N 319.364 4.442 0 40 DIAB O=C(O)c1ccc(COc2c(Cl)cccc2Cl)s1 12357628 LEPIPUATYXXCQK-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C 12756032 LKLBOVZRCWVVMT-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB CSc1ccccc1NC(=O)COc1cccc(C)c1C 12767421 VHGARIFGIBPRDS-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CC(=O)NCc1ccc(-c2nc(-c3cccs3)sc2C)o1 14103064 JSTCMUJKLUYPPY-UHFFFAOYSA-N 318.423 4.076 0 40 DIAB COc1cccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 16029658 WDQSIXGZTNDMNK-NSHDSACASA-N 301.411 4.134 0 40 DIAB c1ccc(Cc2nnc(NCc3ccco3)c3ccccc23)cc1 16480915 QXBWVIHOHUYSEX-UHFFFAOYSA-N 315.376 4.426 0 40 DIAB S=C(NCCOc1ccc2ccccc2c1)Nc1ccccc1 16945561 CNPYSZWQQFRIPC-UHFFFAOYSA-N 322.433 4.205 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)c(C)c1 20041351 KPEMBWORTFIRJG-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1F 20112053 DEEXXPFQKBOCHI-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C 22839587 RQOYXIBTUQGBBN-DZGCQCFKSA-N 323.383 4.143 0 40 DIAB C[C@H](NC(=O)c1cccnc1Cl)c1ccc2c(c1)CCCC2 24315957 KJWJFULKGRVIBW-LBPRGKRZSA-N 314.816 4.105 0 40 DIAB CCCN(Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 31613715 XUSOQCUAEZBUMT-GOSISDBHSA-N 303.833 4.286 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H](c2cccs2)C(C)C)cc1 35016935 CWLGAOSWBCSHHR-QGZVFWFLSA-N 302.443 4.193 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H](C)C2)c(Br)c1 40098517 DLIDTVGJDLCREU-NSHDSACASA-N 311.223 4.021 0 40 DIAB COc1ccccc1CCNC(=O)Nc1cc(Cl)ccc1C 40099248 GFTKINICBKEFPR-UHFFFAOYSA-N 318.804 4.021 0 40 DIAB COCCCC(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 40134243 DONXQNBYGKQLOI-UHFFFAOYSA-N 318.442 4.299 0 40 DIAB CCSc1ccccc1NC(=O)N[C@H](C)c1ccccn1 47856495 NCEYXOMLTHXBPV-GFCCVEGCSA-N 301.415 4.076 0 40 DIAB CCn1c([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 69514629 FJKAGFYSRFYPFS-QAPCUYQASA-N 323.440 4.076 0 40 DIAB Brc1ncccc1[C@@H]1CCCN1Cc1ccccc1 72211601 MXEXISDTVUUKCH-HNNXBMFYSA-N 317.230 4.181 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213846 VCWRQNASWUEWCY-SFHVURJKSA-N 321.424 4.023 0 40 DIAB N#CN(Cc1csc(Cc2ccccc2)n1)c1ccccc1 75108854 CSRQGGHWEVXNFP-UHFFFAOYSA-N 305.406 4.222 0 40 DIAB Fc1ccc(-c2nnc(CNc3cccc4c3CCCC4)o2)cc1 84445728 SQWIWHOLRSWVSD-UHFFFAOYSA-N 323.371 4.367 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)N1CC[C@H](c2ccccn2)C1 85472935 BPEUCJSRYZWYFY-NSHDSACASA-N 321.207 4.018 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 89927278 PBDLBYMFASZGIH-RKDXNWHRSA-N 320.742 4.062 0 40 DIAB C[C@@H](O)C/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc12 101168535 BVYUNABCYSKLSX-XSBGSACPSA-N 313.784 4.035 0 40 DIAB Cc1nc2sccn2c1-c1nnc(-c2ccccc2Cl)o1 216608944 PCQAQEHTYLIWSB-UHFFFAOYSA-N 316.773 4.075 0 40 DIAB Cc1cc(N)cc(Cl)c1NC(=O)c1cc2ccccc2o1 226756006 MNRPHVLNWTWDDA-UHFFFAOYSA-N 300.745 4.229 0 40 DIAB CCOc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 58033 WHBPEVFQOZDIGE-UHFFFAOYSA-N 310.349 4.176 0 40 DIAB biogenic CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 481973 RPGGTDXJEUMZEP-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)N(C)C)(C4)C2)C3)cc1 1447069 PZMPPOPMSOAIRI-AGXSTUJCSA-N 311.469 4.311 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 1456752 VOYJZLPXBVTSMF-UZLBHIALSA-N 323.436 4.427 0 40 DIAB CCO[P@@]1(=O)OCC(Cl)(Cl)[C@H](c2ccccc2)O1 1747651 KSCUSLLSWVGGLC-YPMLDQLKSA-N 311.101 4.093 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2cc(C)cc(C)c2)cc1 2517691 SUVXAVYTCMGEIO-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB O=C(COc1ccccc1Cl)OCc1ccc(Cl)cc1 3261914 AYFKFGLJEGLDFE-UHFFFAOYSA-N 311.164 4.116 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1 3422375 BCSJHSXWKBQZRC-INIZCTEOSA-N 310.441 4.271 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 3566732 WATCADPIMYSMDH-UHFFFAOYSA-N 318.298 4.368 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC 4177190 IPOXNDKFZFESKK-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1Cl 4864084 YJTMVKSAKNXJLB-UHFFFAOYSA-N 302.786 4.010 0 40 DIAB S=C(NCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 5773482 FMKDELVAWIDOFD-UHFFFAOYSA-N 311.237 4.480 0 40 DIAB CC[C@@H](OC[C@H](O)CN(CC)C1CCCCC1)c1ccccc1 6356103 DWZLRCJCECLENB-WOJBJXKFSA-N 319.489 4.170 0 40 DIAB CCc1ccc2[nH]c(C)c(CC(=O)N[C@H](C)c3ccccc3)c2c1 6710318 MSYDXDAUGRTPNZ-CQSZACIVSA-N 320.436 4.459 0 40 DIAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2cccs2)c1 7706487 BCTZZPLTYSVTBI-GOSISDBHSA-N 323.417 4.276 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC 7945842 NDZDBTJNYVHXKO-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)c(C)c1 8041752 QMWGUNAVZMMKIS-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 12555748 UEVNVURXVUDKKA-UHFFFAOYSA-N 312.800 4.115 0 40 DIAB COc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 12621620 XTIITIIENSJESQ-UHFFFAOYSA-N 302.182 4.316 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C)o1 12992985 VNHBSBBFLIDKES-LQYUOIDQSA-N 301.411 4.199 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1ccc(Cl)cc1 13786497 SWJCDOPAAZEJIZ-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB CCOC(=O)c1c(C)nc(-c2ccccc2)nc1SC(C)C 20100188 HNYSWMBMOYIYBU-UHFFFAOYSA-N 316.426 4.129 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccccc1 20485137 XYFDUZIVWNKMDS-INIZCTEOSA-N 303.789 4.160 0 40 DIAB CCC[C@@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245465 IRTRJMQFQYBIDT-GFCCVEGCSA-N 317.458 4.138 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 31539982 KAYYIYDHRSEWHR-VBBBUPHZSA-N 320.473 4.091 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc2c(c1)CCO2 32787470 HPKZYWCUXAITEC-UHFFFAOYSA-N 322.191 4.110 0 40 DIAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1cccc(Cl)c1 32913899 FDHHURJGBJIKJB-UONOGXRCSA-N 317.816 4.123 0 40 DIAB COc1ccc(NCc2cc(Br)ccc2OC)cc1 37301609 OTGAGBAOBXOQFQ-UHFFFAOYSA-N 322.202 4.078 0 40 DIAB CCOC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1 40175882 QROXANPJQBSAOO-UHFFFAOYSA-N 313.275 4.087 0 40 DIAB C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 43158361 QAHVBDFULGMSPH-QWRGUYRKSA-N 300.324 4.406 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1Cl 44899756 SVZSNUGIOKOQIJ-INIZCTEOSA-N 317.816 4.122 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccco2)o1 45003281 XABVNYBWRQYEGD-LBPRGKRZSA-N 323.352 4.269 0 40 DIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1C1CC1 67143978 UHIGWHBCNSBKGR-WDEREUQCSA-N 317.376 4.476 0 40 DIAB Cc1cc(C(=O)c2ccccc2)cnc1OCc1ccccc1 72222382 HWVSONSONQXMJX-UHFFFAOYSA-N 303.361 4.200 0 40 DIAB COc1ccc(CN2CCC3(CCc4ccc(C)cc43)CC2)cc1 96052546 DHRGWGIWVUSSBJ-UHFFFAOYSA-N 321.464 4.484 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 96191750 SKFGGLMDBKPZRC-ZWMZRPRWSA-N 315.501 4.488 0 40 DIAB CC(C)c1nnc(CNc2ccccc2C(=O)C2CCCC2)o1 97228749 VCAVOSCYNVLRRS-UHFFFAOYSA-N 313.401 4.178 0 40 DIAB C[C@H](O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118931194 AGHPIIDSYAFAJL-QKKLPCMMSA-N 316.485 4.227 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)c(C)c1 219272959 HNRPRRBNQWDDGA-LJQANCHMSA-N 311.425 4.122 0 40 DIAB Cc1ccccc1OC[C@@H](C)NC(=O)Nc1cccc(Cl)c1 222631137 XXRJCLPMPYHRCY-CYBMUJFWSA-N 318.804 4.237 0 40 DIAB COCc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OC 224396980 HTBUIBCCWBSHEE-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB CCCCOCc1cc(C(=O)N2CCCCC2)ccc1OCC 224729696 PDWSZJGZRUKSNB-UHFFFAOYSA-N 319.445 4.028 0 40 DIAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616036 UQJITAGNBSQVDH-UHFFFAOYSA-N 321.461 4.420 0 40 DIAB COc1cc(C)c(C(=O)N2CCc3ccccc32)cc1C(C)C 225662306 KRZXOPMMGJGETN-UHFFFAOYSA-N 309.409 4.330 0 40 DIAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCCC1 225945990 UFCQHODMJGROTN-UHFFFAOYSA-N 305.443 4.090 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1N 226305111 MMKHZWSZDSUECX-KBPBESRZSA-N 312.413 4.240 0 40 DIAB Cc1nn(-c2ccccc2)c2oc3ccc(Cl)cc3c(=O)c12 1589142 SERNOMLIJOHDJU-UHFFFAOYSA-N 310.740 4.094 0 40 DIAB COc1cccc2c(=O)oc(-c3ccc(C(C)(C)C)cc3)nc12 1646057 BHKIGUCSAYVZDR-UHFFFAOYSA-N 309.365 4.161 0 40 DIAB O=C(Nc1cc(Cl)ccc1O)C1(c2ccccc2)CCCC1 2512597 AWQOZVAIWFBJEK-UHFFFAOYSA-N 315.800 4.496 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2ccccc21 3327942 NGFUUZWQIRMJSP-CQSZACIVSA-N 304.393 4.110 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1Cl 4103702 HJHKASXYASKEMG-SFHVURJKSA-N 312.800 4.346 0 40 DIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(C)cc2)cc1 4120353 IAUABZVQTKQXGC-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB Clc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 4271847 OKAIJRKZDRYXMO-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CCCCC/C(=C/c1ccccc1)[C@H]1OC[C@H](COCC)O1 5523650 PDGKGFLQMGPRLF-GWVOEYNXSA-N 304.430 4.428 0 40 DIAB Sc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 5855232 MDFLBIKCAUPZQQ-UHFFFAOYSA-N 311.391 4.302 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 7037022 PXLVBXKONFFVQB-LJQANCHMSA-N 311.425 4.277 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 7644458 RGMZBGYQWRBPDF-JTQLQIEISA-N 324.207 4.493 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccccc2F)cc1OC 8289245 FXEYLYKBRRJNMD-UHFFFAOYSA-N 317.360 4.266 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Cl 8723213 JKYRNHOOJRJXCX-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB CSc1ccccc1NCC(=O)Nc1ccc(Cl)cc1F 9322891 XZJOCYDRZBVMQT-UHFFFAOYSA-N 324.808 4.252 0 40 DIAB Cc1cc(C)c2c(-c3oc4ccccc4c3N)cc(=O)oc2c1 11865159 AVDSWXSSYYNWGH-UHFFFAOYSA-N 305.333 4.405 0 40 DIAB biogenic O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 11918009 COVJNLHKOOMXPJ-UHFFFAOYSA-N 301.367 4.042 0 40 DIAB O=C(Nc1ccccc1)c1ccccc1NC(=O)C1CCCC1 12699701 JQRSOJCAXNSDCB-UHFFFAOYSA-N 308.381 4.068 0 40 DIAB CSc1ccc(NC(=O)c2ccccc2Br)cc1 12807032 VSJKXYYIOYOPIL-UHFFFAOYSA-N 322.227 4.423 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 13710626 FSIQNXCFGAMFJE-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 14022349 XVMIFZMOKUJXRX-SFHVURJKSA-N 313.397 4.190 0 40 DIAB Cc1cc(C)c(NC(=O)C2(c3ccccc3)CCOCC2)c(C)c1 16985202 SWHKKJYQOTYTSY-UHFFFAOYSA-N 323.436 4.299 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@H](c2ccccc2)CC3=O)cc1 17030809 FYPFNMBQVXDWDW-INIZCTEOSA-N 302.377 4.093 0 40 DIAB Cc1cccc(C)c1NC(=O)CCCOc1ccc(F)cc1 32666476 ULLQUCHYEAAXBS-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB CCc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 38835380 RGRLUSCMTMQWSQ-UHFFFAOYSA-N 319.408 4.055 0 40 DIAB O=C(Cc1ccc(-c2nc3ccccc3o2)cc1)N1CCCCC1 41127112 NQPPLWUNGAPJLU-UHFFFAOYSA-N 320.392 4.050 0 40 DIAB CC(C)CO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1cccs1 42474077 UTCSDVGZXRMTMK-YOEHRIQHSA-N 317.454 4.015 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 43747417 MWUWSRQUMOQPDE-AWEZNQCLSA-N 301.817 4.458 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1Cl 44899757 SVZSNUGIOKOQIJ-MRXNPFEDSA-N 317.816 4.122 0 40 DIAB Fc1cc([C@H]2NCc3ccccc3-n3cccc32)cc(F)c1F 55028106 PMVNWEJJUFQYPO-GOSISDBHSA-N 314.310 4.087 0 40 DIAB Cc1nc(C)c([C@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1 56487756 WXZCVSXJPQLUOQ-KOLCDFICSA-N 321.421 4.020 0 40 DIAB CN(Cc1ccccc1)Cc1c(C(C)(C)C)[nH]c2ncccc12 72393632 SKTRQNRGDORSHB-UHFFFAOYSA-N 307.441 4.492 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cnc(C(C)C)nc1C 75436971 WFBRXTNAUBOUPA-UHFFFAOYSA-N 303.793 4.123 0 40 DIAB CCOCc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 96461435 WBOSTJBHLOTTEN-NVXWUHKLSA-N 302.418 4.020 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113951613 XQDHDEZMMOJHDD-KSSFIOAISA-N 315.388 4.169 0 40 DIAB CC(C)N(C)Cc1cccc(CN[C@@H](C)c2cccc(O)c2)c1 194871526 CAKURFBZERXJNR-INIZCTEOSA-N 312.457 4.083 0 40 DIAB COc1ccc(C)cc1[C@H](C)Nc1cccc(C[S@](C)=O)c1 195552460 FFQMDSAUTCKVOO-FPTDNZKUSA-N 317.454 4.055 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)c(C)c1 222762973 QJOGGECUWRXGAO-LJQANCHMSA-N 311.425 4.258 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 224131374 JAQGGEFFVKOMJA-UONOGXRCSA-N 311.853 4.440 0 40 DIAB Cc1cc(C)c(C[C@@H](Oc2ccccc2Cl)C(=O)O)c(C)c1 225135861 ASODDDJDERUYQK-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCCOC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 225423287 UPUSIOAHQDTTOK-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl 225609728 WTLPPPGIQBCDED-INIZCTEOSA-N 313.825 4.128 0 40 DIAB Cc1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225840721 HYAOOGGNAPLSIJ-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CCc1cc(Br)cc(C)c1NC(=O)c1ccco1 226096884 GIWOZRIFYXKDNI-UHFFFAOYSA-N 308.175 4.165 0 40 DIAB CCOC(=O)[C@H](CC)Sc1nc2cc(C)ccc2cc1C 421036 BEHATQVXBMRXDG-HNNXBMFYSA-N 303.427 4.285 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1C 515031 OPKUVJQXQIEWEK-UHFFFAOYSA-N 319.202 4.022 0 40 DIAB CN(C)CCC[C@](C)(O)[C@@H](Cc1ccccc1)c1ccccc1 2187350 VOSQYSATOBJONB-SFTDATJTSA-N 311.469 4.106 0 40 DIAB CCCCCN1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 2190284 LLLKFHBUBLEWAT-QGZVFWFLSA-N 302.462 4.205 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)c1 3611830 RLTGBAMCDGCNAW-NSHDSACASA-N 307.752 4.194 0 40 DIAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1 6154074 CYAYXDZRIIBIMZ-UHFFFAOYSA-N 313.360 4.482 0 40 DIAB CCCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6398401 TWGNFEZMZJRLIQ-UHFFFAOYSA-N 313.441 4.174 0 40 DIAB COc1ccc(C)cc1NC(=O)Cc1coc2cc(C)ccc12 6549459 STSVIRKBNJNFIB-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1ccc3ccccc3c1)S[C@@H](C)C(=O)N2 6678451 CVDLSEXVSGVCDF-MEDUHNTESA-N 323.421 4.035 0 40 DIAB Cc1cccc(Oc2ccc(NC(=O)c3cc(C)no3)cc2)c1 6789539 FLOGJEQHMIRJDF-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)c1c[nH]c2ccccc12 7987444 UNADOLPXZRCBGS-KGLIPLIRSA-N 322.408 4.099 0 40 DIAB O=C1CCc2cc(-c3csc(-c4ccccc4)n3)ccc2N1 8208340 BWOPLEOABJJQAS-UHFFFAOYSA-N 306.390 4.362 0 40 DIAB COc1cc(C)c(NC(=O)c2cc3ccccc3o2)cc1OC 10276053 COSDCZBJCKMHJY-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 12609019 SPZRIUOMLSWHGK-FQEVSTJZSA-N 316.404 4.218 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1Cl)C2 13004326 SAKGVIBVZLYFLG-HNNXBMFYSA-N 303.814 4.304 0 40 DIAB Cc1cccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)c1 13724643 NOIRHBWVJVVXSJ-UHFFFAOYSA-N 321.380 4.421 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccccc2F)cc1C 13930835 HKRIWSLTJWEBAX-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1ccc(OCCCC(=O)N2CCCc3ccccc32)cc1 14400469 PLXIIONTSONOPK-UHFFFAOYSA-N 309.409 4.133 0 40 DIAB Cc1ccc(-c2nnc(SCc3cccc(C)c3)nc2O)cc1 16777132 BCLSMIDFDLNOIB-UHFFFAOYSA-N 323.421 4.153 0 40 DIAB Fc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1 19293930 KXEPREUXBVAONS-OAHLLOKOSA-N 318.442 4.417 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 21700991 SIVQVLDZXHSOOY-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccccc2)C1 36354374 HEOVVNUFZDWHIM-ZDUSSCGKSA-N 307.328 4.135 0 40 DIAB CCn1cc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 36859798 OJUUVXBYLCOIQZ-UHFFFAOYSA-N 321.218 4.140 0 40 DIAB COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2ccccc2n1 38486575 HMLLACCVDYTIJA-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 44013769 RMSDIQDLGNFZMT-RVDMUPIBSA-N 324.355 4.159 0 40 DIAB O=C(Nc1cccc(CNC2CCCC2)c1)c1cccc(F)c1 48781534 IPTRZQIGYHNAHE-UHFFFAOYSA-N 312.388 4.110 0 40 DIAB Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 51329827 JPUXFXIPYPMAEU-OAHLLOKOSA-N 314.841 4.208 0 40 DIAB CCCOc1ccc(/C=C2/SC(=S)N=C2O)cc1OCC 56664090 HIBXQPGUMFYCLO-UKTHLTGXSA-N 323.439 4.203 0 40 DIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1nccc2ccccc12 58420082 DWDDCCKXYHLIAV-KBPBESRZSA-N 322.330 4.086 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@@H]1c1ccccc1Cl 58423669 AVAPQXGGIPZHAP-GHMZBOCLSA-N 318.829 4.027 0 40 DIAB Cc1cc(C(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)on1 58700324 CZSASBBXIMPQDD-LLVKDONJSA-N 304.777 4.002 0 40 DIAB O=C(c1ccc(Br)cc1)c1ccc(F)c(F)c1F 61837997 JKTLEGUPUQLPPT-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB Cc1ccc(C)c(C[S@@](=O)Cc2csc(C(C)C)n2)c1 78394552 OJSSWBRHRFHLBN-FQEVSTJZSA-N 307.484 4.332 0 40 DIAB CC(C)CC1(C(=O)N[C@H]2CCOc3ccccc32)CCCC1 79068943 GQAFHHJHHXZLDI-INIZCTEOSA-N 301.430 4.233 0 40 DIAB CSC1(CN[C@H](C)c2cc(C)c(C)cc2C)CCOCC1 90112822 YEPQQJWSXLFBOJ-MRXNPFEDSA-N 307.503 4.175 0 40 DIAB CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2c(F)cccc2F)C1 95411721 VQUIEMMQQPWDRU-MNOVXSKESA-N 314.401 4.103 0 40 DIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1)CC2=O 100749592 UPJYLPZNLJGXSV-IAGOWNOFSA-N 305.805 4.064 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107327572 SVVAMOLHOWXEKZ-XPYUAMARSA-N 313.441 4.185 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)NC2CCCCCCC2)c1 218966889 YEHRTHPZSOBEST-UHFFFAOYSA-N 303.446 4.220 0 40 DIAB Cc1ccc2c(c1)OC1(CCN(C(C)C)CC1)[C@H]1CCCO[C@H]21 257309715 UCCKCYYILLZTEV-PKOBYXMFSA-N 315.457 4.098 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@H]1C2 260905640 RHFZGILALATDSM-HUBLWGQQSA-N 312.240 4.231 0 40 DIAB CCCc1c(C)nc2ccc(C)cc2c1SCCC(=O)O 36344 UTAJKUYYZOOVTE-UHFFFAOYSA-N 303.427 4.371 0 40 DIAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 510557 UUOKPJZLLBLEMZ-OVCLIPMQSA-N 324.424 4.193 0 40 DIAB Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1C 1268384 WJAISSHLKNZEHL-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB O=c1cc(-c2ccc(Br)cc2)oc2ccc(F)cc12 2243270 ZPPDUZHGCWBFMW-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB biogenic O=C(c1cccc(CN2CCC2)c1)c1ccccc1C(F)(F)F 2515132 NHQILARDKWHDQW-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB CCCC[C@H](CC)CNS(=O)(=O)c1c(C)cc(C)cc1C 2774854 QJMOHANEQXQQLC-INIZCTEOSA-N 311.491 4.107 0 40 DIAB Cc1ccc2ccccc2c1NC(=S)NC(=O)c1ccccc1 4052763 DAMOHGLFZRZTPH-UHFFFAOYSA-N 320.417 4.275 0 40 DIAB C[C@@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 4854583 SXMVILRGSKXBSM-AWEZNQCLSA-N 315.372 4.067 0 40 DIAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1C 5730579 FOGUXQLIOOXNDL-UHFFFAOYSA-N 323.421 4.064 0 40 DIAB CCCN1C(=O)S/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 6656162 RKOIYURCQMEPDM-NTEUORMPSA-N 306.431 4.132 0 40 DIAB O=C(c1nccc2ccccc12)N(Cc1ccccc1)C1CC1 6670901 UBUWSYACPNFWEP-UHFFFAOYSA-N 302.377 4.040 0 40 DIAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccnc1 8708294 ZQCRBKJYUVAUMS-INIZCTEOSA-N 316.404 4.169 0 40 DIAB CCCCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C 8951822 QTHAUWJPWFOHHC-SAKMYQHLSA-N 314.473 4.355 0 40 DIAB COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cn1 12528042 MJEQALOCBDRUDN-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)cc1 12596931 KRQQDEWORSMTIN-ONNFQVAWSA-N 318.779 4.197 0 40 DIAB Cc1ccccc1C(=O)NCCCc1cccc(OC(C)C)c1 13671151 LLDJSXVMIWXDOQ-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 15587563 UQGOJBUOEUMXOY-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C)ccc1C 22517606 IZFVCHYCEPOQBK-SFHVURJKSA-N 313.397 4.108 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(C)c(C)s1 25113046 JTXDZVBCQRQQKA-GFCCVEGCSA-N 303.427 4.207 0 40 DIAB O=C1CCCCC[C@H]1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 28188248 WJIJXKFAVLPWSL-CYBMUJFWSA-N 321.833 4.119 0 40 DIAB Cc1oc(C)c(C(=O)Nc2cccc(Oc3ncccn3)c2)c1C 58413320 IHDINUIIQKBJGM-UHFFFAOYSA-N 323.352 4.039 0 40 DIAB CCC(C)(C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 65403671 URSQYSGJCYCLPA-UHFFFAOYSA-N 306.406 4.176 0 40 DIAB CCOc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)cc1 65403680 ZQVABWAVJZTXIR-UHFFFAOYSA-N 318.442 4.046 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 85397225 JIYYPPPTYLXULV-JXMROGBWSA-N 320.747 4.244 0 40 DIAB CCC[C@]1(CCN[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96115344 UWNBQNKLNFHFPE-LPHOPBHVSA-N 311.510 4.299 0 40 DIAB biogenic Cc1cc(-c2cnc(NC(C)C)nc2-c2sccc2C)on1 105715984 FFTCEBNCIQFKBU-UHFFFAOYSA-N 314.414 4.297 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 113960428 LBZQVESCVBJALN-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB C[Si](C)(C)O[C@@]1(C#N)CCCc2cc(Br)ccc21 223659768 TYQFWSSHPRRTTN-CQSZACIVSA-N 324.294 4.356 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCC1=CCCCC1 224286668 DWSXZXSJOVXDLN-HNNXBMFYSA-N 309.409 4.224 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)nc1C 225886816 ZMRJSNUFEYYHSK-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CC[C@H](C)CNC(=O)CCCOc1ccc(Cl)cc1Cl 408907977 CXJOPAQTUSFUII-NSHDSACASA-N 318.244 4.315 0 40 DIAB Cc1nc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2s1 409189364 KBXPJDSQOJNNNM-UHFFFAOYSA-N 303.770 4.477 0 40 DIAB COc1ccc(-c2cn3c(n2)sc2ccccc23)cc1OC 496004 HQPOVQTTWWJLQM-UHFFFAOYSA-N 310.378 4.233 0 40 DIAB Clc1ccccc1[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1 531923 TUUXKVQSJDVIOR-CVEARBPZSA-N 310.788 4.078 0 40 DIAB CC(=O)Nc1ccc(N2COc3ccc(C(C)(C)C)cc3C2)cc1 539502 WBIMEHISZVMSSB-UHFFFAOYSA-N 324.424 4.299 0 40 DIAB Cc1ccc2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2n1 1472257 DQNHOPJOXAMFKK-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Cl)s1 1472301 DJFBKIRXCWDLTA-UHFFFAOYSA-N 323.826 4.356 0 40 DIAB O[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(Cl)cc1 1651977 UIPDCTGNHUMGGW-UXHICEINSA-N 324.807 4.310 0 40 DIAB CCOC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2386338 HAOZCPUVSGROSH-ONEGZZNKSA-N 312.209 4.301 0 40 DIAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)cc1Cl 2515140 ZLLHEKSNNAOOEB-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB COc1cc2ccccc2cc1C(=O)OCc1ccccc1F 2634754 YJZUQTQYARMIIT-UHFFFAOYSA-N 310.324 4.345 0 40 DIAB COc1ccc(N2CCc3c(C)nc4c(OC)cccc4c32)cc1 4050991 ASDMBUDPVLVAHA-UHFFFAOYSA-N 320.392 4.255 0 40 DIAB OC1=N[C@@H](c2ccccn2)Nc2scc(-c3ccccc3)c21 4125409 ZCXDSBNSDHGZFG-OAHLLOKOSA-N 307.378 4.239 0 40 DIAB Fc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12 4137696 ZQUHAWQFOYMUPS-UHFFFAOYSA-N 318.358 4.291 0 40 DIAB CNc1cccc2c(OC)ccc(C(=N)c3ccc(OC)cc3)c12 4638917 FLTWPCYPWQJMSA-UHFFFAOYSA-N 320.392 4.315 0 40 DIAB Fc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCO4)cc1 5346223 QYBPHVYBZSDDRT-UHFFFAOYSA-N 307.324 4.246 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccccc3F)c12 6285838 SONWODKTHOMXTM-UHFFFAOYSA-N 311.356 4.234 0 40 DIAB Cc1nc(SCC(=O)C(C)(C)C)c2c(C)c(C)sc2n1 6609614 NEWMCNBZIWUHGT-UHFFFAOYSA-N 308.472 4.324 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccccc3OC)c12 6945386 MVNJOQQEXCEMTF-UHFFFAOYSA-N 323.392 4.104 0 40 DIAB CCOc1ccccc1NCC(=O)Nc1c(C)cccc1CC 7846680 YHUISUJGGSZAQI-UHFFFAOYSA-N 312.413 4.007 0 40 DIAB O=C(c1ccccc1F)N(Cc1cccs1)c1ccccn1 11916530 KQCXEWWVQYZBTG-UHFFFAOYSA-N 312.369 4.129 0 40 DIAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 13150083 DXGPFVDNZBMVRR-UHFFFAOYSA-N 319.326 4.227 0 40 DIAB CCOc1cccc(NC(=O)CSc2ccc(C)cc2)c1 13675753 SOJMNYJXMWMRQO-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c2ccccc2n1 14186752 ZKUSXTRSALNNGP-BEFAXECRSA-N 308.425 4.338 0 40 DIAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cc(Cl)c[nH]1 25604693 OJIVRLAILJTMCO-OAHLLOKOSA-N 316.813 4.249 0 40 DIAB Cc1cccc(-n2ccnc2S[C@H]2CCCCC2=O)c1C 26047264 IDXAZFOBJQMQGC-INIZCTEOSA-N 300.427 4.093 0 40 DIAB Cc1ccccc1Cn1ccc(NC(=O)CCC2CCCC2)n1 27916209 MGCVKCGRFKHVQK-UHFFFAOYSA-N 311.429 4.149 0 40 DIAB Cc1ccn2c(NC(=O)c3ccco3)c(-c3cccs3)nc2c1 28225396 CVMLKLCLMUPXLW-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB O=C(CSCc1ccc(F)cc1)NCc1ccc(Cl)cc1 28653437 OAZKJOGQSVJNMM-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2C1 32998006 IVKFSFTWALNPEC-RBSFLKMASA-N 324.468 4.411 0 40 DIAB CCOc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 40095572 HPZUYMSBERKLJG-LLVKDONJSA-N 320.339 4.246 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 44843369 BSINZAKPVPORIK-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccsc2)C1 49546052 MFSAJBLVCPHFJE-AWEZNQCLSA-N 309.394 4.117 0 40 DIAB Cc1nc2ccccc2n1C[C@H](O)c1ccccc1C(F)(F)F 60522546 PPYXYQFXBMOPBT-INIZCTEOSA-N 320.314 4.097 0 40 DIAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1 71283050 AQIVRYKHIGBKIE-CQSZACIVSA-N 317.414 4.064 0 40 DIAB CCC(=O)Nc1cccc(-c2nc3cc(OC)ccc3o2)c1C 72260297 NJYWBBWNCBDSEU-UHFFFAOYSA-N 310.353 4.160 0 40 DIAB CC[C@H](Sc1nncn1C1CC1)C(=O)c1ccc(Cl)cc1 89941920 PTHAGIPPMHGOKS-ZDUSSCGKSA-N 321.833 4.020 0 40 DIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccc(Cl)cc1Cl 95095908 COTREOPTYUFECN-GMSGAONNSA-N 301.091 4.012 0 40 DIAB CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cccs2)c1 95420465 XQMZYHSYNSWXSK-KBPBESRZSA-N 316.470 4.127 0 40 DIAB C[C@@]12CC3CC(NC(=O)c4ccc(F)cc4)(C1)C[C@@](C)(C3)C2 100980790 VKODWLWRHKNDLQ-BHJVWRQASA-N 301.405 4.305 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1cc2ccccc2o1 219946219 IAGUVFXIAHWCAL-UHFFFAOYSA-N 323.392 4.194 0 40 DIAB CCc1ccc(CC(=O)NCc2cc(CC)ccc2CC)cc1 223990345 VALRERVOPUIFEX-UHFFFAOYSA-N 309.453 4.233 0 40 DIAB Cc1ccc(C)c(C[C@@H](Oc2ccccc2Cl)C(=O)O)c1 225027854 QWOZIJPJTFHGFV-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2c(F)cccc2F)cc1 225464373 FJGXCQIRTJVPHZ-SNVBAGLBSA-N 322.380 4.021 0 40 DIAB CCCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 226349489 GJUFKHLGGWYVOC-UHFFFAOYSA-N 318.804 4.272 0 40 DIAB Cc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226861792 SIAPBVGJZFUILH-UHFFFAOYSA-N 324.401 4.015 0 40 DIAB Cc1ccccc1NC(=O)N[C@@H](C)Cc1cc2ccccc2o1 244947638 DUHUELNPVUHFDM-AWEZNQCLSA-N 308.381 4.494 0 40 DIAB Cc1cc(-c2ncc(C)s2)nc([C@H]2CCCCN2C(C)C)n1 257216964 CWWHLLJBXMMUPN-OAHLLOKOSA-N 316.474 4.152 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3snnc3c2)cc1C 408994941 IFGLNGFOAKMNMM-UHFFFAOYSA-N 314.439 4.117 0 40 DIAB Cc1ccc(-c2cc(-c3nc(-c4cncc(C)c4)no3)on2)cc1 545025689 SWUUXGIJUOBACA-UHFFFAOYSA-N 318.336 4.070 0 40 DIAB Cc1nc(-c2cccc([C@H]3CCCN(C(C)C)C3)n2)sc1C 2037666402 ZSGMVDRFXUZIDZ-HNNXBMFYSA-N 315.486 4.410 0 40 DIAB COc1ccc2c(C)c(-c3ccccc3Cl)c(=O)oc2c1 58008 KJWWVYKFDBTZHS-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic Cc1sc(C=O)cc1COc1ccccc1Br 135433 MGYUZEHGUJOHTD-UHFFFAOYSA-N 311.200 4.211 0 40 DIAB Cn1ncc(C(=O)Sc2cc(Cl)cc(Cl)c2)c1Cl 160124 DNLASJGXUDWSLV-UHFFFAOYSA-N 321.616 4.313 0 40 DIAB Fc1cccc(Cl)c1CSc1nnc(-c2cccnc2)o1 410645 VOHFWMNCDDVINX-UHFFFAOYSA-N 321.764 4.216 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 579745 ZFXMSTAOXZPZTL-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB CCOc1ccccc1C(=O)Nc1nc2c(C)cccc2s1 1006358 IIBFRLLCTHICSF-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB CCCCCn1c([C@H](C)NC(=O)CCC)nc2ccccc21 2601756 RQFWZPXEUTYUFZ-AWEZNQCLSA-N 301.434 4.204 0 40 DIAB O=C(OCc1c(Cl)cccc1Cl)c1cccnc1Cl 3250874 PXQRQSCNXOMYLZ-UHFFFAOYSA-N 316.571 4.399 0 40 DIAB Cc1ccc(-c2cn3c([n+]2-c2ccccc2C)SCC3)cc1 3289637 BSBSHDCXRFHDPR-UHFFFAOYSA-N 307.442 4.154 0 40 DIAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(C)c2C)cc1C 3369910 AGSLPGMHBWMODU-UHFFFAOYSA-N 310.393 4.268 0 40 DIAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 4475392 IFYPAITVQLLIQM-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB COc1ccc(/C=C/c2nc(-c3cccc(C)c3)no2)cc1OC 4487179 USPQEJLZDMGKKG-CSKARUKUSA-N 322.364 4.233 0 40 DIAB COc1cccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)c1 4678385 QHWAEXZGNFMSSP-UHFFFAOYSA-N 317.392 4.324 0 40 DIAB CN[C@H](C)Cc1ccccc1Sc1ccc(OC)c(OC)c1 5371691 LPUQKAJQMWABRE-CYBMUJFWSA-N 317.454 4.005 0 40 DIAB COCc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 6997287 OGGGSDPIMHWUSG-UHFFFAOYSA-N 315.756 4.485 0 40 DIAB C[C@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccccc1 7909483 FNLACVGNPRSRJK-LBPRGKRZSA-N 321.392 4.324 0 40 DIAB CCSc1ccc(NC(=O)CSc2ccc(N)cc2)s1 13579066 HRRYKTGOLURMDU-UHFFFAOYSA-N 324.496 4.173 0 40 DIAB CCOc1ccc/c(=N\Cc2ccccc2)c2c(C)n(C)c(C)c12 13810115 NONGKPXSLOTOFV-RELWKKBWSA-N 320.436 4.295 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc3cccnc23)c1 15835428 ZXTPOJQLANDITC-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 18543896 IYQHFYGGBPFVDW-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)c2ccccc2n1 19657034 WAXRNMUIOHJDFP-KRWDZBQOSA-N 316.404 4.173 0 40 DIAB Cc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20045111 OHEWXTSTIYHJFW-INIZCTEOSA-N 322.452 4.479 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 20488527 DEKYOYLSPMEZET-QGZVFWFLSA-N 311.425 4.340 0 40 DIAB CC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 29106594 QZKUVUUHWRICJU-VXGBXAGGSA-N 302.443 4.342 0 40 DIAB O=C1C[C@H](c2ccccc2F)c2snc(-c3ccccc3)c2N1 35316391 NYDGJFIFZKVPQX-CYBMUJFWSA-N 324.380 4.423 0 40 DIAB COc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 40243488 UHWXXOVVQYLODE-HNNXBMFYSA-N 313.180 4.092 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2)c1 40868539 PQHQHRHOGFPLAL-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=C(O)Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127234 SCOJPLSPJSCQAU-UHFFFAOYSA-N 303.770 4.244 0 40 DIAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1nccs1 43160590 MOXAFMSOCWAOJN-UHFFFAOYSA-N 323.421 4.474 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1F 47530459 PZMJMNJWTUFWPN-UHFFFAOYSA-N 305.780 4.070 0 40 DIAB Cc1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1C 51376980 KCTKUCZBLYYKTQ-UHFFFAOYSA-N 306.394 4.161 0 40 DIAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 55447336 WFUIYIUJIBJPJN-ZDUSSCGKSA-N 306.818 4.082 0 40 DIAB O=N[C@H](/C1=C/CCNC/C(C(F)(F)F)=C\C1)c1cccs1 64220317 XYXVVZDACNDEDH-VNYHSVNGSA-N 316.348 4.354 0 40 DIAB Brc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72211543 JUPLTAIGZMZQGA-HNNXBMFYSA-N 317.230 4.181 0 40 DIAB Cc1cc(=S)[nH]cc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218356 CJPWJXVDFXSYLR-INIZCTEOSA-N 312.438 4.420 0 40 DIAB Cc1ccc(C(=O)C(=O)N(CCC(C)C)CCC(C)C)cc1 72271149 LWNSMBJTVDDKTH-UHFFFAOYSA-N 303.446 4.099 0 40 DIAB C[C@H]1CN(c2ccccc2CNc2ccc(F)cc2)C[C@H](C)O1 89936858 OFTDESNYWQFRMO-GJZGRUSLSA-N 314.404 4.051 0 40 DIAB CC(C)(c1cc(-c2sc(N)nc2Cl)ccn1)C(F)(F)F 95629733 YKAPAAHXNDWHHM-UHFFFAOYSA-N 321.755 4.281 0 40 DIAB O[C@@H](c1ccc(F)c(Cl)c1)c1ccccc1Br 95730050 FTNFVXFEZPZFHR-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB c1cc(Cn2cccn2)cc(NCc2cccc3cc[nH]c23)c1 97020049 QWTCNQCNLWMSSI-UHFFFAOYSA-N 302.381 4.025 0 40 DIAB Cc1cccc2c1[C@@H](C)C[C@@H]2NCc1ccc(C2OCCO2)cc1 97032485 CKRLGTWWCJYREO-KXBFYZLASA-N 323.436 4.379 0 40 DIAB CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 105581264 RBUIRFMMOKXJSA-DNUAJFIVSA-N 301.430 4.087 0 40 DIAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1Cl 130829224 GJDUHQARAXWTFP-INIZCTEOSA-N 318.804 4.158 0 40 DIAB CC(C)c1ccccc1OCC(=O)NC1CCCCCCC1 222807604 VHANFCCUVQVFJO-UHFFFAOYSA-N 303.446 4.418 0 40 DIAB CCCC[C@@H](C(=O)OC)N1c2ccccc2C(C)=CC1(C)C 223225286 SJZWQMJQCRZLQV-KRWDZBQOSA-N 301.430 4.420 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc(C)c1C 224430521 UHXGMAUTSOUFAJ-SJORKVTESA-N 305.462 4.403 0 40 DIAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(F)cc1)C(=O)O 225053680 XHVPPJHOMVHWOW-KRWDZBQOSA-N 316.372 4.198 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1Cl 225687216 CVVOKQNAMZNIPG-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB CN(C(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1Cl 252483890 FKRIKIOHEOJBPK-UHFFFAOYSA-N 314.694 4.030 0 40 DIAB COc1ccc(CCCC(=O)N[C@H](C)c2ccccc2)cc1C 408915864 RCSJYPPTFIIAME-MRXNPFEDSA-N 311.425 4.204 0 40 DIAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409022544 RKUKTATXMCYTGS-JXCQQFQQSA-N 319.426 4.309 0 40 DIAB Cc1nc2nccc(-c3cc4c(cc3C)[C@@H](C)CC(C)(C)N4)n2n1 575473297 VYMZWLSDCXESEF-LBPRGKRZSA-N 321.428 4.106 0 40 DIAB CC(C)N(c1cc(C(F)(F)F)c2cccc(N)c2n1)C(C)C 685938247 MWOZOGBMPYPQPJ-UHFFFAOYSA-N 311.351 4.459 0 40 DIAB O=C(Nc1ccc2c(c1)CCCC2=O)c1ccc2ncccc2c1 1534221927 QMWYWGXUPUKOKI-UHFFFAOYSA-N 316.360 4.006 0 40 DIAB N=[S@@](=O)(Cc1ccc(Br)cc1)c1ccccc1 1565504910 DZGXAOVCOTUSIX-QGZVFWFLSA-N 310.216 4.055 0 40 DIAB CSc1ccc(NC(=O)Nc2ccc(NC(C)=O)cc2)cc1 399720 NQBKVNXTKVNNFC-UHFFFAOYSA-N 315.398 4.011 0 40 DIAB COc1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1 1739138 RGPJPBKABDQHLF-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 2449363 QRKVRQLQFULLMM-UHFFFAOYSA-N 313.401 4.396 0 40 DIAB Cc1cc(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc12 2619426 HXILEBDANXTMHO-UHFFFAOYSA-N 324.449 4.474 0 40 DIAB CCOc1cccc2sc(NC(=O)c3ccc(F)cc3)nc12 3199748 BWVKQFFRJZWKIH-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB Cc1ccsc1C(=O)OCc1coc(-c2cccs2)n1 5110277 FCEVXXKQKUGKJQ-UHFFFAOYSA-N 305.380 4.130 0 40 DIAB COC(=O)c1c(C)[nH]c(-c2csc(-c3cccs3)n2)c1C 7814116 NKJQBKXXLZARSY-UHFFFAOYSA-N 318.423 4.270 0 40 DIAB CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1 11865299 FIQMROUYSDSLFA-UHFFFAOYSA-N 307.349 4.239 0 40 DIAB biogenic C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1C(F)(F)F 20859038 WWKJRFISFSBEIK-NSHDSACASA-N 305.299 4.297 0 40 DIAB CC[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 21392682 YEHDTEZPMOEVOP-KSSFIOAISA-N 311.450 4.013 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c2cccnc12 31095442 IRTYAKYIGJYQMT-ZDUSSCGKSA-N 324.355 4.088 0 40 DIAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(F)cc3)c12 36358847 MGBMAGLTOBAUIB-UHFFFAOYSA-N 313.332 4.046 0 40 DIAB O=C(c1ccc(Br)cc1)c1c[nH]c2ccccc12 37361551 NOHMBINTTHCYSF-UHFFFAOYSA-N 300.155 4.161 0 40 DIAB COc1ccc(NC(=S)Nc2c(C)cccc2C)cc1F 44194848 UMJGZXHXFRZNQP-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccccc2)C1 49547366 JMUPHAVYFBODNW-MRXNPFEDSA-N 303.365 4.055 0 40 DIAB CC(=O)c1ccc(O[C@H](C)c2ncc(C(C)(C)C)o2)cc1F 89126827 GTQUCLZJMWXCCS-LLVKDONJSA-N 305.349 4.454 0 40 DIAB Cc1csc(C2=C(O)CN(C3CCCCCCC3)C2=N)n1 102726410 ATYOKMXFWBYGQE-UHFFFAOYSA-N 305.447 4.126 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(C)cc1 113970629 ZUUATERTSRYDDD-LJQANCHMSA-N 311.425 4.086 0 40 DIAB C[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 118917816 IKXILDNPCZPPRV-CFEARBHASA-N 304.474 4.205 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)c(C)c1 139047394 MKYZBUOJRJEABT-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB COC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216814210 NOANPXSCFMDMTJ-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB C[C@H](OC(=O)c1ccc(N)cc1)c1ccc2c3c(cccc13)CC2 216850964 BGBDKCOGNHNJDD-ZDUSSCGKSA-N 317.388 4.439 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1C 222620181 XEZBTNKMEQELLO-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCCOc1ccc(C)cc1 224143162 XMHSKVDHKKAQFX-QGZVFWFLSA-N 305.462 4.487 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)CCCC2 224155502 BSUAZPKFZPYBBK-UHFFFAOYSA-N 323.436 4.454 0 40 DIAB CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2cccc(C)c2)n1 408725856 QIKVGSXYNGNLHC-UHFFFAOYSA-N 320.392 4.333 0 40 DIAB Cc1csc(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c1 585149426 RJUQCQDBDBZXLY-OAHLLOKOSA-N 321.467 4.016 0 40 DIAB COc1cccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)c1 420035 FKEAYDHINJAWAY-UHFFFAOYSA-N 324.380 4.447 0 40 DIAB CCc1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 486837 DVCCDCOFWVBCTK-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl 548760 VICQNFAFTKHILK-UHFFFAOYSA-N 319.191 4.255 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 807258 VJLONGAKINUBAA-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB Cc1cccc(OCCCCn2c([C@H](C)O)nc3ccccc32)c1 1926800 AAWQIRVKISVJQL-INIZCTEOSA-N 324.424 4.257 0 40 DIAB CCCCc1ccc(NC(=O)COc2ccccc2OC)cc1 3611170 IZUCYACHDMAUDT-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB C[C@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2[C@H](C)c2ccccc21 4044401 KOXAUIJMWHCIOC-JKDFXYPNSA-N 321.376 4.150 0 40 DIAB OC(c1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F 6091833 JCCWOKZXPBZZBV-UHFFFAOYSA-N 313.024 4.306 0 40 DIAB COc1ccc(-n2c([C@@H]3C[C@H]3c3ccccc3)n[nH]c2=S)cc1 6275120 DLVAZQGGLPWMPW-JKSUJKDBSA-N 323.421 4.210 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 7053359 YPXNNMYQIHLKAB-UHFFFAOYSA-N 317.454 4.365 0 40 DIAB COc1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 7614302 SSOZFQBHYMZXLJ-UHFFFAOYSA-N 317.388 4.128 0 40 DIAB Cc1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1 7921713 APYCNEINWBQBRR-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 8480565 OQKLKJMUFGTRDF-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(NCc1ccccc1)c1ccc(-c2ccc(F)cc2)s1 8944029 GTZDMQYOKRINRO-UHFFFAOYSA-N 311.381 4.484 0 40 DIAB C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1 12802500 QFVIMDLQVNPVLE-NSHDSACASA-N 314.435 4.363 0 40 DIAB CC1CCC(NC(=O)c2csc(-c3cccs3)n2)CC1 14198614 CPKHUXNKLJHYJC-UHFFFAOYSA-N 306.456 4.180 0 40 DIAB C[C@H]1CC(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1 15671189 GUJYNDMURIHLGE-NSHDSACASA-N 318.779 4.216 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 16471666 NOWDPTSLQZPHTP-OAHLLOKOSA-N 306.192 4.411 0 40 DIAB CC(C)Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 17045072 ZRLBTUBTKWVWRG-UHFFFAOYSA-N 310.810 4.034 0 40 DIAB CC[C@@H](NC(=O)CCc1ccccc1F)c1ccc(OC)cc1 23649814 SLCGGBHUCNUVJH-GOSISDBHSA-N 315.388 4.034 0 40 DIAB CC(C)CC[C@@H](CC(=O)N1CCCC1)[C@@H]1CCOC(C)(C)C1 26961475 MSFCXDXGXWFVDF-DLBZAZTESA-N 309.494 4.257 0 40 DIAB O=C(c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 31389394 QAEDZYHXDOXTTD-GFCCVEGCSA-N 314.435 4.335 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(Br)cc2)cc1 34410396 SIGMCUUJTGVTCN-UHFFFAOYSA-N 305.171 4.293 0 40 DIAB C[C@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(F)cc1 36390799 WMRGLTJXNQYBDW-HNNXBMFYSA-N 322.383 4.036 0 40 DIAB COc1ccc(Br)cc1CNc1ccccc1F 36804498 AELJLQUBEVOBJZ-UHFFFAOYSA-N 310.166 4.209 0 40 DIAB O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1Cl 40111358 RSJFGFSEZJXCKK-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB CC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 40487532 HIGURTDMJORZMY-AZUAARDMSA-N 322.408 4.365 0 40 DIAB CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 43333109 VCJJVFHQJXECOM-NSHDSACASA-N 320.339 4.246 0 40 DIAB c1ccc([C@@H](Nc2nc3ccccc3o2)c2ccccn2)cc1 51281832 AAZDQWDFOHJPTG-GOSISDBHSA-N 301.349 4.424 0 40 DIAB COc1ccccc1Nc1ccnc2cc(OC)c(OC)cc12 65005218 PRCFLXHGOUVZNT-UHFFFAOYSA-N 310.353 4.004 0 40 DIAB C[C@@H](SCc1ccc(Cl)s1)C(=O)NC1CCCC1 71818632 PQKJTCODFQRONU-SECBINFHSA-N 303.880 4.082 0 40 DIAB C[C@H](C(=O)N1CCCC[C@@H]1c1nccs1)c1cccc(F)c1 72297163 GCNBLAABFYCHKV-SWLSCSKDSA-N 318.417 4.140 0 40 DIAB CN(Cc1ccccc1NCCCCCO)C1CCCCC1 75094589 XOWNQVYCKLWNGW-UHFFFAOYSA-N 304.478 4.026 0 40 DIAB Clc1ccc2c(SCCN3CCSCC3)ccnc2c1 75106372 RCFGLIDSCCNFAP-UHFFFAOYSA-N 324.902 4.029 0 40 DIAB Cc1noc(C)c1CSCCc1ncc(-c2ccccc2)o1 95396957 FWSLXYORLGMQIQ-UHFFFAOYSA-N 314.410 4.422 0 40 DIAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633956 LKJMIKFHZQUYRJ-MSOLQXFVSA-N 306.361 4.203 0 40 DIAB Cc1cc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c(C)o1 96124485 AFYMBEWIWIHEKE-UHFFFAOYSA-N 314.366 4.492 0 40 DIAB O[C@@H](c1ccccc1)c1cc2ccccc2nc1C(F)(F)F 96171862 JEIONYCATLJGIE-HNNXBMFYSA-N 303.283 4.335 0 40 DIAB Cc1ccccc1N1C(=O)[C@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@H]2C1=O 100548608 QDUOONWQMKZMFZ-AMBYYYRHSA-N 321.420 4.011 0 40 DIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 138998989 MOKSNUBXSJMQIH-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB COc1ccc(C)cc1[C@@H](C)Nc1cccc(C[S@](C)=O)c1 195552457 FFQMDSAUTCKVOO-PEBXRYMYSA-N 317.454 4.055 0 40 DIAB O=C(NCc1cncc(-c2ccsc2)c1)Nc1cccs1 218828113 BEUWQWAHUPMUDG-UHFFFAOYSA-N 315.423 4.193 0 40 DIAB Cc1cccc(CCCNC(=O)c2ccc(OC(C)C)cc2)c1 218984096 FXWJWXBDSCLUNM-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223489883 MSUQDTOSFQKWOW-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 224880969 DMTXUXUNYXOIIT-UHFFFAOYSA-N 323.314 4.383 0 40 DIAB COc1ccc(/C=C(/C(=O)N[C@@H](C)C(C)C)c2ccccc2)cc1 225185534 FUXARSPOBHWNIW-RZKQZQCBSA-N 323.436 4.397 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225700849 NGUMVZMCRUDISU-SFHVURJKSA-N 307.434 4.236 0 40 DIAB COc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794048 ZLBFVURIHPNMFS-LJQANCHMSA-N 315.413 4.238 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 505764 GIYMCBKIPJOOBW-GFCCVEGCSA-N 319.351 4.496 0 40 DIAB COc1c(C)cc(NC(=O)CCc2ccccc2F)cc1C 1426298 CJGYLMYSERBMPX-UHFFFAOYSA-N 301.361 4.022 0 40 DIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(F)c(Cl)c1 2514907 BKOJVZKRAONRJW-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)c(F)c1 2515073 TXNIYDOBXHVIFZ-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1ccc(NC(=O)N(C)Cc2ccccc2F)cc1Cl 3359244 HESDBNYJPYWSJV-UHFFFAOYSA-N 306.768 4.451 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 5569526 BVIJIQPOPSSBFA-UHFFFAOYSA-N 318.657 4.145 0 40 DIAB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1 6586168 IGTIGUCMIJJLCG-YTMOXHBLSA-N 310.441 4.412 0 40 DIAB CN(C)c1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 6949098 LBSFWZYJSLANAB-UHFFFAOYSA-N 312.398 4.006 0 40 DIAB CCCCOc1ccc(C(=O)NC2CCCCCC2)cc1OC 8085411 DQVGNTFHFQGECP-UHFFFAOYSA-N 319.445 4.327 0 40 DIAB CN(C)c1oc(-c2nc3ccccc3s2)cc1Br 8091194 JKDKWBQPPABXAR-UHFFFAOYSA-N 323.215 4.385 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)o1 8161445 DNWMJKYEUTYVBM-CDNVCLAFSA-N 308.381 4.132 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)cc1 8382785 JLQZDHSLVCKGOC-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccccc1 9154583 AIGXBGWDGQYRQE-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB Cc1cc(C)c2c(C)c(C(=O)Nc3ncccc3C)sc2n1 9314199 NUQZWBIXIKBASV-UHFFFAOYSA-N 311.410 4.177 0 40 DIAB Cc1cc(C)cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c1 12493396 ISRIOEJBCZROPT-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc(C)c1C 12997598 BGKOMCJVAWAYFE-UHFFFAOYSA-N 319.382 4.153 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(C)cc3O)c(C)c2c1 14229827 IGSYIEJXLDMSJX-UHFFFAOYSA-N 311.337 4.016 0 40 DIAB Clc1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 16846803 BQZDULRMBOBERL-UHFFFAOYSA-N 322.755 4.447 0 40 DIAB Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 17250597 FVAUNMMWEWKDCT-UHFFFAOYSA-N 309.820 4.091 0 40 DIAB Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Cl 19736447 RBGKIEPJPBGMQW-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB COc1ccc([C@H](C)NC(=O)CCSc2ccccc2)cc1 20489895 HSEYCDDRTHDZPC-AWEZNQCLSA-N 315.438 4.055 0 40 DIAB CC[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 21705667 HEVSGXACPLJNIY-KRWDZBQOSA-N 307.437 4.028 0 40 DIAB COc1ccc(Cl)cc1COc1cccc2c1CCC2=O 22187587 ZIKVVLNMPHEVSY-UHFFFAOYSA-N 302.757 4.057 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 22538093 TWECQYZTJIVVJO-CYBMUJFWSA-N 301.361 4.024 0 40 DIAB FC(F)Oc1ccc(CNCCc2c[nH]c3ccccc23)cc1 22771603 UITGVJCZWMWDFY-UHFFFAOYSA-N 316.351 4.102 0 40 DIAB c1ccc(-c2c[nH]c(Sc3ncnc4sccc34)n2)cc1 22957036 DJOVSQZICBZIFF-UHFFFAOYSA-N 310.407 4.233 0 40 DIAB CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCCc2ccccc21 29883152 UYVQPYBPGVBWLD-MRXNPFEDSA-N 311.450 4.386 0 40 DIAB Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1 32832610 WXYKQVVCCFLMEZ-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCNc1ccccc1C 32980056 CJZFDFPTRRSQCL-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB COc1ccc(C(=O)c2ccc(Br)cc2C)cc1F 36829503 UYPWSGPVHWSAGR-UHFFFAOYSA-N 323.161 4.136 0 40 DIAB COc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 40098715 KKTSZZKUYJQMHK-SNVBAGLBSA-N 322.767 4.370 0 40 DIAB CCOC(=O)c1ccc(Nc2cc(Cl)ccc2C)c(N)c1 41079635 AZOZYXQXYHIRKT-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB CCCOCc1ccccc1CNC(=O)Nc1ccccc1F 47100102 UFMJZLRPUOUQLZ-UHFFFAOYSA-N 316.376 4.074 0 40 DIAB Cc1cccc2cc3c(nc12)OCCN(Cc1ccc(F)cc1)C3 57709639 DNPIVBQAJVCTRN-UHFFFAOYSA-N 322.383 4.077 0 40 DIAB CCn1ccc2cc(NC(=O)Cc3ccc4c(c3)CCC4)ccc21 65565570 ASBSKSOASPZQPO-UHFFFAOYSA-N 318.420 4.331 0 40 DIAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccncc2)cc1C 71835229 XCJJLNQNSBDVRO-SLFFLAALSA-N 320.436 4.166 0 40 DIAB CC(=O)N1CCC[C@H]1c1cccnc1SC1CCCCC1 72217295 YRPZEYYPSVFBDX-INIZCTEOSA-N 304.459 4.190 0 40 DIAB Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)ccc1N(C)C 78413799 DXICHOXALUMTHG-CXAGYDPISA-N 303.450 4.103 0 40 DIAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC3)o2)cc1 78578534 CDIBQPHXPMBAJJ-UHFFFAOYSA-N 318.376 4.163 0 40 DIAB Cc1nnc(CS[C@H](C)c2ccccc2Br)o1 95412904 JCMOKHYEVJKCKN-MRVPVSSYSA-N 313.220 4.135 0 40 DIAB CCCCC[C@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364704 PXYJMKXLGSFPLG-AEIBSFOJSA-N 308.462 4.363 0 40 DIAB biogenic CCOc1ccc(CCC(=O)Nc2ccccc2)cc1OCC 216259204 MKXBFGYUUOZQFN-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225633485 DMGVFFUMIXHRDH-CLCXKQKWSA-N 319.445 4.398 0 40 DIAB COc1ccc(C(=O)c2ccc3c(c2)oc2ccccc23)cc1N 226297150 LYXRQJQZFJLAQY-UHFFFAOYSA-N 317.344 4.408 0 40 DIAB CC(C)n1cc(Br)c(-c2ccc(F)c(F)c2)n1 248139709 BJYWQNSVVJKBSF-UHFFFAOYSA-N 301.134 4.172 0 40 DIAB Oc1nc(-c2cc[nH]c2)nc2scc(-c3ccc(F)cc3)c12 543032387 NFYXFPUGQQOSFI-UHFFFAOYSA-N 311.341 4.198 0 40 DIAB NNc1ncnc2scc(-c3ccc(-c4ccccc4)cc3)c12 87411 ABSHQGHTMLFQPK-UHFFFAOYSA-N 318.405 4.311 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 129804 DEPHNPPMZIRNBU-KBPBESRZSA-N 317.816 4.293 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 352741 ITYQLDHQWCRICG-MSOLQXFVSA-N 319.832 4.372 0 40 DIAB Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2C(=O)c1ccc(Cl)cc1 1315218 AZGHPONYURSMKP-SJCJKPOMSA-N 315.800 4.121 0 40 DIAB CC(C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 1396777 WACCAISPDMWXGV-UHFFFAOYSA-N 306.818 4.488 0 40 DIAB Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2C 2448359 RFNMMSVHBUVLOM-UHFFFAOYSA-N 311.406 4.265 0 40 DIAB CCN(CC)P(=O)(OC=C(Cl)Cl)N(CC)CC 2572937 FBRPCFYNMDSUDL-UHFFFAOYSA-N 303.170 4.071 0 40 DIAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)NCc1ccccc1 3335605 YBZZFGATNVWOLS-INIZCTEOSA-N 324.493 4.362 0 40 DIAB C[C@@H]1CCCN(C(=O)[C@@H](C)Nc2ccccc2-c2ccccc2)C1 3435363 FAGNHOOULOGNLN-IAGOWNOFSA-N 322.452 4.413 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncnc2ccccc12 3490760 MYHUFOHWGLHJAQ-ZDUSSCGKSA-N 323.421 4.058 0 40 DIAB O=C(OCc1c(F)cccc1Cl)c1ccc2ccccc2n1 3619454 HDFSDZOGGGWIPX-UHFFFAOYSA-N 315.731 4.384 0 40 DIAB CCOc1ccccc1NC(=O)COc1ccccc1C(C)C 3957230 OAQZPFAIMJKKQB-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB Cc1cccc(C(=O)c2cccc(NC(=O)c3ccco3)c2)c1C 4695643 UICOYQDKEGUVHC-UHFFFAOYSA-N 319.360 4.380 0 40 DIAB C[C@@H](O)c1ccc(C(C)(C)C)cc1NC(=O)c1cccs1 4733186 BCCFPQKRONJBQT-LLVKDONJSA-N 303.427 4.351 0 40 DIAB CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 5616934 GESQJYOSHDEKQO-OAHLLOKOSA-N 313.397 4.145 0 40 DIAB CC[C@H](C)NC(=S)N(Cc1ccccc1)Cc1ccccc1 5875939 RFTKPLOIEIQSFG-INIZCTEOSA-N 312.482 4.362 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 6930337 FVRMEHSSXGOAGY-YGRLFVJLSA-N 300.229 4.231 0 40 DIAB Cc1ccc(-c2nn3c(-c4ccccc4C)nnc3s2)cc1C 8392724 VRTWMAYPNZUBDX-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB O=C(c1ncc(-c2ccc(F)cc2)o1)N1CCCc2ccccc21 9321851 LPTZNEFKKBCXBC-UHFFFAOYSA-N 322.339 4.074 0 40 DIAB Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C)c(C)c2)c1 11801698 AUOLGYRTLLDMTA-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB c1cncc(-c2cc(-c3cccnc3-c3cccnc3)ccn2)c1 14684593 SWWRILUGNLIYGG-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB biogenic,in-vitro CCn1c(SCc2cc(C)ccc2C)nnc1-c1ccncc1 16755471 IAWOZPFCWCWLNG-UHFFFAOYSA-N 324.453 4.269 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2F)cc1 20106911 BWZKGBPEUNVSEV-GOSISDBHSA-N 315.388 4.352 0 40 DIAB Cc1csc(NC(=O)c2ccccc2CCc2ccccc2)n1 20837001 MNCCSHNEOYBOKW-UHFFFAOYSA-N 322.433 4.489 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCC1=CCCCC1 23791553 NDUAICKYUHGADM-UHFFFAOYSA-N 323.440 4.109 0 40 DIAB Fc1ccc(-n2cnnc2-c2ccccc2Cl)c(F)c1F 24841856 ZVTWAWNTNOYSAQ-UHFFFAOYSA-N 309.678 4.005 0 40 DIAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1Cl 27026705 HNITWUACRGURCP-AWEZNQCLSA-N 301.817 4.458 0 40 DIAB Cn1c(NC(=O)c2cc(Cl)ccc2Cl)nc2ccccc21 27923929 YCZIMNSKDGIWSW-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB O=C(Nc1cccnc1Oc1ccccc1)[C@@H]1CC1(Cl)Cl 32832648 XNSQISBYDOFCLD-NSHDSACASA-N 323.179 4.006 0 40 DIAB Cc1cc2oc(=O)cc(CN(C)Cc3cccs3)c2cc1C 57024650 MXWMMWVGNNMBFC-UHFFFAOYSA-N 313.422 4.103 0 40 DIAB O[C@H](CN1CCC[C@H]1c1ccccc1)c1ccccc1Cl 58562874 OZDUOFPLUCZIBS-ZWKOTPCHSA-N 301.817 4.211 0 40 DIAB Cc1csc([C@@H](C)NC(=O)Nc2cccc(C(F)F)c2)n1 69680771 JDQUFUPYBYEZEJ-SECBINFHSA-N 311.357 4.272 0 40 DIAB Cc1oc(-c2ccco2)nc1CNC1(c2ccccc2)CCC1 69736877 HHGMEZBNOHIZQH-UHFFFAOYSA-N 308.381 4.412 0 40 DIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1 70462870 KIERXJKSEGEPHI-UHFFFAOYSA-N 318.376 4.197 0 40 DIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Nc1ccccn1 89558898 ZVLSLKMDFINVKW-LBPRGKRZSA-N 318.446 4.195 0 40 DIAB CCOC(=O)c1c2c(c(-c3ccccc3)[nH]c1=S)CCCC2 95117609 SGIKPRSIIBNYAZ-UHFFFAOYSA-N 313.422 4.467 0 40 DIAB C[C@H](O)c1ccccc1NC(=O)C[C@H](C)c1cccc(F)c1 95993508 AVFGURFUZHQDMW-STQMWFEESA-N 301.361 4.011 0 40 DIAB COC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105574545 NOPVJOWEOUCRCX-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB CC(C)c1ccc(OCC(=O)n2cc(C=O)c3ccccc32)cc1 216720213 ACUVKKNRMRMFIT-UHFFFAOYSA-N 321.376 4.296 0 40 DIAB COc1ccc(CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1 223384659 ZLUMVLHOCJIITJ-UHFFFAOYSA-N 323.436 4.166 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224895034 IHXFIJSECCUIKW-UHFFFAOYSA-N 323.314 4.329 0 40 DIAB Cc1cccc(C)c1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225030699 IZERRQBBGJPGLA-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Fc1ccc(OCc2ccc(Br)cc2)c(F)c1F 575356969 PCIZOTRSSISKFR-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB Cc1cc2nc(-c3cccc(N)c3)[nH]c2c(Br)c1C 1083102877 LYWIGMOLSIIGBN-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(Br)cn2)C1(C)C 291937 AXIVSTHBJFCRNV-AAEUAGOBSA-N 323.234 4.021 0 40 DIAB CCOc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 348412 SIEVHMSNUNDVOF-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB O=C(O)CSc1cccnc1Sc1ccc(Cl)cc1 481347 AEURKIVOHDGFCS-UHFFFAOYSA-N 311.815 4.063 0 40 DIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1 569066 ZABZQUHVOCIAEK-ZDUSSCGKSA-N 312.438 4.327 0 40 DIAB COc1ccc(Oc2nc(SC)nc3ccsc23)cc1 1398457 VTNHOKYMZDRTPA-UHFFFAOYSA-N 304.396 4.214 0 40 DIAB O=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc21 2841297 GUXRGXILRASHNY-UHFFFAOYSA-N 321.763 4.223 0 40 DIAB O=C(NC1CCCC1)c1ncoc1-c1ccc2ccccc2c1 5002065 RBPHWPHDVIQKAM-UHFFFAOYSA-N 306.365 4.167 0 40 DIAB O=C(/C=C/c1ccccc1)OCc1ncc(-c2ccccc2)o1 6033634 NNFYZNVCBUJBQA-VAWYXSNFSA-N 305.333 4.098 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 7402817 IGURHLRMKAEFMU-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB O=C(CNc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 7971622 OYAWQUYIDVHGMH-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N1CCCc2ccccc21 10449458 LRHPNISYIVNGSY-HNNXBMFYSA-N 311.450 4.288 0 40 DIAB COc1ccc(-c2cc3cccn(Cc4ccccn4)c-3n2)cc1 12144222 YIUYIHSVNWOFKF-UHFFFAOYSA-N 315.376 4.107 0 40 DIAB CCC[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 12528199 MOZSMHKKKHEKPO-CQSZACIVSA-N 319.408 4.215 0 40 DIAB CC(=O)c1ccc(NC(=S)NCc2ccccc2Cl)cc1 13817209 IEOJKMLSRZDGIH-UHFFFAOYSA-N 318.829 4.029 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)c1 18013878 MTMPUBIXNAZXNO-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB O=C(Nc1ccccc1)c1cccnc1Nc1ccccc1F 22053722 SCAFZEPSSSPDAO-UHFFFAOYSA-N 307.328 4.217 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)NC1CCCCCC1 22508698 FEMHENMJBVBAAF-OAHLLOKOSA-N 303.446 4.416 0 40 DIAB Cc1ccc(C)c(NC(=O)CSCc2ccccc2F)c1 23410894 SRGLJGZSEYYGDQ-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 28219843 XUKZGUUZFCNIJD-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CC[C@@H](C(=O)Nc1cc(C)nn1C1CCCC1)c1ccccc1 32609640 HKPSRKVDGSCDQM-QGZVFWFLSA-N 311.429 4.439 0 40 DIAB O=C(Nc1c(Cl)ccc2scnc12)c1ccccc1F 32915708 VUZQAQXBDXXIRK-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2ccccc2c1 41091202 HPVUUWDDSSXGDR-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB Cc1ccccc1CNc1ccc(C(=O)NC2CC2)c(Cl)c1 55872990 RXWYRERILNBHFI-UHFFFAOYSA-N 314.816 4.153 0 40 DIAB CCOc1ccccc1C[S@](=O)[C@H](C)c1ccccc1F 69703122 VDHXROYGDFSVBE-LRTDBIEQSA-N 306.402 4.234 0 40 DIAB CCCCN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C 72218944 WLCPRJDGRUXGOM-GOSISDBHSA-N 301.478 4.317 0 40 DIAB Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OCCC(C)C)cc2)o1 79030403 RVSDEOOOJFNYBF-KBPBESRZSA-N 317.433 4.215 0 40 DIAB CCc1c(C)nc2ccccc2c1OCc1nnc(C2CCC2)o1 95464696 LSHFCZNMLXFBFI-UHFFFAOYSA-N 323.396 4.335 0 40 DIAB COc1ccnc(CSCc2nc(-c3ccco3)oc2C)c1 97161786 QNFMMMJRZZIYPF-UHFFFAOYSA-N 316.382 4.080 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)c1 102447057 KDXPRDVRXSGOII-RPWFAHAXSA-N 315.457 4.093 0 40 DIAB CCNC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224648574 RVYUKYVZUQUELH-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB OCc1sc2cccc(Br)c2c1C(F)(F)F 396271063 UGTWXFSWZZGYIY-UHFFFAOYSA-N 311.122 4.175 0 40 DIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(C)c3)S2)cc1 408787186 UCSMYLBZSWZDDE-LYPXWFNGSA-N 324.449 4.157 0 40 DIAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccccc1 408828099 VRVKLOINFNVDCM-UHFFFAOYSA-N 323.421 4.410 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(-c2ccccc2)c(F)c1 575357336 GZHZVJVTSJKIHE-UHFFFAOYSA-N 314.356 4.409 0 40 DIAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@H]1CCCC[C@@H]21 384451 MNMAEQVSXROYEC-ICSRJNTNSA-N 321.420 4.377 0 40 DIAB O=C(O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 551646 QJMVNWBUMRDLFZ-UHFFFAOYSA-N 316.154 4.296 0 40 DIAB O=C(CCc1ccccc1)c1ccc(Br)c(F)c1 2516334 CECXHGQUUVNHMZ-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB c1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 3513110 HIMKQLKKJQLKDJ-UHFFFAOYSA-N 309.350 4.170 0 40 DIAB Clc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 4392132 AKOFBQGFQQKKBR-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CCCOc1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 4711078 ZUVUOYCVCWBIHG-UHFFFAOYSA-N 322.408 4.377 0 40 DIAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(C)C 4931403 JAFXBRDJPTXGFU-UHFFFAOYSA-N 314.360 4.014 0 40 DIAB Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 5731511 XXZGUFRYZYAGSW-UHFFFAOYSA-N 305.362 4.241 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cc1 6377716 JMZISHOYNBVZRV-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cc2c(s1)CCCC2 6847972 MHSSLMLCNHWXAA-CQSZACIVSA-N 313.466 4.378 0 40 DIAB O=C(Nc1cccc(Cl)c1F)c1ccc(Br)o1 6880782 KTDXTLSRAZCPLQ-UHFFFAOYSA-N 318.529 4.087 0 40 DIAB Cc1ccc(NC2=NN/C(=C3\C=Nc4ccccc43)CS2)cc1 9368923 PTRNHJXYHPCHIF-BMRADRMJSA-N 320.421 4.142 0 40 DIAB COc1ccccc1NC(=O)c1sc(C)nc1-c1ccccc1 9643775 PJEOTDDYCBOVMQ-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C(C)C 11695190 AUZDLCYROBNWQC-UHFFFAOYSA-N 323.396 4.187 0 40 DIAB CN(C(=O)C1CCCCC1)c1nc2c(s1)CCc1occc1-2 12181814 HUYCKSSZDARBIW-UHFFFAOYSA-N 316.426 4.045 0 40 DIAB CC[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 12874754 YVYZBPFLVBHXFB-HNNXBMFYSA-N 306.409 4.020 0 40 DIAB C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[N+](=O)[O-] 13026650 WFFILWUFCMASLD-ACCUITESSA-N 323.327 4.316 0 40 DIAB Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 13132078 MEYFTBIXXHZJJB-CVEARBPZSA-N 310.788 4.078 0 40 DIAB Cc1nn2c(nc(N3CCC(C)CC3)c3ccccc32)c1Cl 14067137 ZYJMCHZQCCODIN-UHFFFAOYSA-N 314.820 4.081 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 14573256 QHKXRLGCBQJQJZ-QFBILLFUSA-N 311.425 4.338 0 40 DIAB Fc1cccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 19293836 LMFJXEGIOGUMAO-INIZCTEOSA-N 309.388 4.082 0 40 DIAB C[C@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 19723484 GABFCYXGNGRLDU-UHSVVUDUSA-N 300.398 4.006 0 40 DIAB COc1cccc2cc(C(=O)N[C@@H](C)CCc3ccccc3)oc12 19887903 KCUCXUUGOVFWSE-AWEZNQCLSA-N 323.392 4.193 0 40 DIAB O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1cccs1 20100700 MUMPAKDGSXUXAQ-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 21836774 NTVWKHQNDBAXTB-CYBMUJFWSA-N 310.372 4.069 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(F)cc1 22535302 JICYIVAPPOJKJP-ZDUSSCGKSA-N 315.413 4.037 0 40 DIAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccccc3F)c2C)cc1 22890131 PZVUSZDWSBFASJ-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB CCN(Cc1cccs1)C(=O)Cc1c(C)[nH]c2ccccc12 24861994 VVRDNBAXQPQXLZ-UHFFFAOYSA-N 312.438 4.129 0 40 DIAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(Cl)c2)cc1 32609777 AXMGSDNFSPAOOD-SNVBAGLBSA-N 322.767 4.370 0 40 DIAB CN(C(=O)CSCc1ccccc1)[C@@H]1CCc2ccccc21 32905622 GZVAVKBWMDJNGU-GOSISDBHSA-N 311.450 4.066 0 40 DIAB COc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1Cl 40098709 DAPLWUVTGFUDFU-SNVBAGLBSA-N 308.765 4.133 0 40 DIAB CCOc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3C)sc2C)cc1 40159995 BQYLIENQHPLNMC-IINYFYTJSA-N 316.426 4.112 0 40 DIAB CCOc1cccc(CNC(=O)Nc2ccccc2Cl)c1 44845504 XFJVVOKHZLWYTK-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715549 RWORSKRJXBJZDJ-FMIVXFBMSA-N 316.784 4.495 0 40 DIAB CCOc1ccc(N[C@H](C)c2cc(F)ccc2F)cc1CO 71948207 JMIUINWMLYDNBR-LLVKDONJSA-N 307.340 4.029 0 40 DIAB Cc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 74705291 NAXWWGKLFQXBRT-UHFFFAOYSA-N 319.286 4.142 0 40 DIAB C[C@H]1CCN(C(=O)Nc2cccnc2Cl)[C@H](c2ccco2)C1 75546537 XPFJCFNCRZMIPY-AAEUAGOBSA-N 319.792 4.333 0 40 DIAB Cc1nc(C(C)(C)C)sc1[C@H](C)NCC1(O)CCCCC1 87017580 UCDNFBOCWLUZGI-LBPRGKRZSA-N 310.507 4.095 0 40 DIAB O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1ccoc1 90612374 APNRBZJJGUFSHL-INIZCTEOSA-N 315.438 4.269 0 40 DIAB CCO[C@H](C)c1nc(C(=O)N2CCC[C@H]2C2CCCC2)cs1 95399640 WYRSGARHNWUARO-DOMZBBRYSA-N 322.474 4.035 0 40 DIAB Cc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 96170965 DMCNZDBFCDNWGV-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB Cc1nnc(CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)o1 96982228 JTARPMLCERPEPG-GOSISDBHSA-N 301.434 4.063 0 40 DIAB COc1ccc(C(=O)c2c[nH]c3cc(Cl)ccc23)c(OC)c1 199721385 DEFKTABDUWKGJM-UHFFFAOYSA-N 315.756 4.070 0 40 DIAB CCCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223225190 JXZRGYKHCKLWAV-DZGCQCFKSA-N 319.445 4.431 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc(C)c1C 224430473 UHXGMAUTSOUFAJ-IAGOWNOFSA-N 305.462 4.403 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](C)c1ccccc1 224437609 FFCTXUQTRBPYNU-QFBILLFUSA-N 311.425 4.072 0 40 DIAB O=C(CCc1ccccc1F)NC1(c2cccs2)CCCC1 390829020 WASPLWWFIRQYEC-UHFFFAOYSA-N 317.429 4.406 0 40 DIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccsc1 575620942 NCNVTYAVYXABBB-NSHDSACASA-N 301.436 4.324 0 40 DIAB O=C(Cc1ccccc1Cl)NCc1ccc(-c2ccco2)o1 585147806 DRXIOMCHRWHJRD-UHFFFAOYSA-N 315.756 4.052 0 40 DIAB CN(C(=O)c1ccccc1Cl)c1ccc(Br)cc1 528687 AVTFGMUCLJNJAE-UHFFFAOYSA-N 324.605 4.379 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1 568246 IIBKJTWQTVAGLA-UHFFFAOYSA-N 310.441 4.343 0 40 DIAB CC(=O)Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O 937019 KCOUGGYUFREFDI-UHFFFAOYSA-N 314.724 4.039 0 40 DIAB CSCc1cc(Oc2ccccc2)nc(-c2ccccn2)n1 1382547 DCCGWHMCYDVJHP-UHFFFAOYSA-N 309.394 4.194 0 40 DIAB O=C1CCC(/C=C/c2ccccc2)=NN1Cc1ccc(F)cc1 1383006 CTPQIFPCIQSZFH-DHZHZOJOSA-N 308.356 4.018 0 40 DIAB CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 1710811 SGFGQSKEXCCYTI-OALUTQOASA-N 315.457 4.012 0 40 DIAB COc1ccccc1/C=C/c1nc2cc(Cl)ccc2c(=O)o1 3899909 QGQOKGLLQTXRJD-RMKNXTFCSA-N 313.740 4.020 0 40 DIAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccccc1Cl 3904946 UZHMQBMKYWOFAJ-MELADBBJSA-N 309.837 4.148 0 40 DIAB CCc1ccc(NC(=S)NCCSCc2ccco2)cc1 7582915 CRTIWCLQSRREPN-UHFFFAOYSA-N 320.483 4.062 0 40 DIAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(F)cc1 7603908 UVUCBJWIKNHUCJ-UHFFFAOYSA-N 324.735 4.155 0 40 DIAB COc1ccc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1 8300269 QVUYRHDFOKIALI-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB Cc1cc(C)nc(Nc2noc(-c3cccc4ccccc34)n2)n1 8559023 AYZKYEAONIBGHL-UHFFFAOYSA-N 317.352 4.040 0 40 DIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 8715554 KGVSNENHIDVPNE-UWVGGRQHSA-N 301.169 4.067 0 40 DIAB Cc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1C 10311567 VWWBWDFDEFEMLH-UHFFFAOYSA-N 324.384 4.276 0 40 DIAB O=C1C[C@H](c2ccco2)Cc2onc(Nc3ccc(F)cc3)c21 10339431 MXPGRXCKBPQANI-JTQLQIEISA-N 312.300 4.063 0 40 DIAB O=C(Nc1cccc2c1CCCC2)[C@H]1Cc2ccccc2S1 11430060 HCCROLYHGWUZDR-GOSISDBHSA-N 309.434 4.221 0 40 DIAB O=C(O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 12394286 NGIWJFWRTBWGSQ-UHFFFAOYSA-N 322.345 4.317 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2ccccc2)c(C)n1Cc1ccco1 12850154 MDRSAWAHZAXMQH-OAHLLOKOSA-N 322.408 4.237 0 40 DIAB COc1cccc(C(=O)Nc2cc(Cl)cc3cccnc23)c1 12874804 ZHBOCDZLUBHZEN-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB Fc1ccc(Nc2nn(CN3CCCCC3)c(=S)s2)cc1 14189389 HRFOBBCZPVDLEL-UHFFFAOYSA-N 324.450 4.000 0 40 DIAB Cc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1 17206247 GISIYNAFXBOWDC-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB C[C@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@@H]1C 19496686 RYNAYTUYWPFNAP-VBQJREDUSA-N 313.445 4.035 0 40 DIAB Cc1cc(C)c2oc(-c3ccccc3)c/c(=N\CCC(=O)O)c2c1 19793964 LMDRABYUEGGCAU-HEHNFIMWSA-N 321.376 4.092 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 20096537 LQDXDRXYTSPCEJ-UHFFFAOYSA-N 309.409 4.454 0 40 DIAB COc1ccc(OC)c(CC(=O)Nc2cccc3ccccc23)c1 20447800 BGEXTGPUCSEICZ-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB Cc1cc(CSc2ncc(-c3ccccc3)n2C2CC2)no1 22417606 SADXQWUDYNDUNL-UHFFFAOYSA-N 311.410 4.474 0 40 DIAB CCN(CC)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 32611639 FRFPKUNZZZKPNE-UHFFFAOYSA-N 323.392 4.494 0 40 DIAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccs1 37301091 AYJXZLAVQFPRFT-SNVBAGLBSA-N 309.818 4.024 0 40 DIAB Cc1ccc2nc(Cc3ccc(Br)cc3)oc2c1 38958195 FQERJNJPXJTSQO-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB Cc1cc(Br)c2oc(-c3cccc(N)c3)nc2c1 40542261 BDPIYRQNJKXXGE-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1cc(N[C@H](C)c2ccc3c(c2)OCO3)nc2ccccc12 69740262 MFHMBSRMUZMMMU-CYBMUJFWSA-N 306.365 4.445 0 40 DIAB Cc1noc(C)c1CSCc1cc(-c2cccs2)on1 72766226 XOINASROJQDFNX-UHFFFAOYSA-N 306.412 4.441 0 40 DIAB COc1ccc(C(=O)c2ccc3cc(OC)ccc3c2)c(OC)c1 95917101 AJRZUONGGJIGGI-UHFFFAOYSA-N 322.360 4.097 0 40 DIAB CC1CC(=O)C(CC(=O)c2ccc(-c3ccccc3)cc2)C(=O)C1 100682715 ALKUTOKYIMQMRI-UHFFFAOYSA-N 320.388 4.111 0 40 DIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 102427078 WOLSOMJOZHEZHZ-ZJQBRPOHSA-N 311.347 4.260 0 40 DIAB C[C@@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C 118917320 UXYRZJKIQKRJCF-OIMFUDJCSA-N 304.474 4.205 0 40 DIAB COc1cccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199714548 QFMDZIGQPDHDQB-UHFFFAOYSA-N 314.385 4.472 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223197436 AMRHYSNNVIQSGC-HOTGVXAUSA-N 323.436 4.128 0 40 DIAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2C)cc1C 224565462 JSWBEJQLTMHLSP-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COC 224690603 AAMBEKCWTBPSQP-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COC(C)C 224713310 MZFOKPNZVSRANQ-UHFFFAOYSA-N 319.445 4.073 0 40 DIAB CCOc1ccc(CCCNC(=O)c2ccc(C)cc2C)cc1 225070700 BDUZOFSQXACZAZ-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225307807 LBSHNRZBZXZUSE-HNNXBMFYSA-N 315.844 4.410 0 40 DIAB Cc1csc(C(=O)NCc2cccnc2-c2cccs2)c1 225759006 NDCLRKBYZRFEMC-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB Cc1c(Br)cnc2ccc(Br)cc12 259933675 PZPWGXFLIHYFAC-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCc2ccccc21 140061 VPMMVEONLTVGLR-FZMZJTMJSA-N 310.224 4.167 0 40 DIAB O=C(C[C@H](Cc1ccccc1)c1ccco1)Nc1nccs1 510143 XCBKVSRNHRCRML-AWEZNQCLSA-N 312.394 4.091 0 40 DIAB O=C(Nc1cccc(O)c1)c1c2c(nc3ccccc13)CCCC2 522392 OAXLXGHMTIZKGG-UHFFFAOYSA-N 318.376 4.072 0 40 DIAB CCc1nc(NCCCOC(C)C)c2oc3ccccc3c2n1 5161599 CXYAPXLHPLJGSZ-UHFFFAOYSA-N 313.401 4.165 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(OC(C)C)cc2)c1 5749799 UTHWPWIPGWSXLQ-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB O=C(NCCc1ccccc1)C1(c2ccc(Cl)cc2)CCC1 6850079 CWBYBXNRDLWUIY-UHFFFAOYSA-N 313.828 4.121 0 40 DIAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC(C)(C)C 7630902 KASLUBDDAUMHSQ-MRVPVSSYSA-N 306.258 4.389 0 40 DIAB CCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 7804822 KHQUXPBNTPQARK-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB O=C(O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 8769030 ZKQKWBGHGLJVCP-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)NCC1CCCCC1 8769110 FVBRRQZTWICFTD-UHFFFAOYSA-N 320.483 4.111 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1Cl 13709604 TWKAFWDAKSNAIQ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccccc1NC(=O)c1cccc(OCc2cscn2)c1 14159866 UGGMHHVUEXHUHG-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CC(=O)Nc1ccc(SCc2cc(-c3ccco3)on2)cc1 14170028 JGPQAJIPURFAPG-UHFFFAOYSA-N 314.366 4.185 0 40 DIAB Cn1c(S)nnc1-c1cc(-c2cccs2)nc2ccccc12 17066493 BIZLWMJAFNUSDT-UHFFFAOYSA-N 324.434 4.048 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20459972 KPOQZHDXVPSKMO-MRXNPFEDSA-N 311.425 4.202 0 40 DIAB COc1ccccc1NC(=O)c1ccc2c(c1)c(C)c(C)n2C 27973222 OUTTWKCZCLBWJO-UHFFFAOYSA-N 308.381 4.056 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCO2 41450227 FWVADXVEYXXSNP-UHFFFAOYSA-N 304.733 4.021 0 40 DIAB CC(C)c1csc(NC(=O)C2(c3ccc(F)cc3)CC2)n1 41527010 UOVKEIBEAJQCLC-UHFFFAOYSA-N 304.390 4.076 0 40 DIAB S=c1[nH]c2cc(Cl)ccc2n1CCOc1ccccc1 42897231 WCNUSEYPUWGZID-UHFFFAOYSA-N 304.802 4.431 0 40 DIAB in-vitro Cc1cc2oc(=O)cc(CN(C)Cc3ccsc3)c2cc1C 57327534 KTNNCWNPZVUNHU-UHFFFAOYSA-N 313.422 4.103 0 40 DIAB Cc1ccccc1[C@H](C)Nc1cnn(C(C)(C)C)c(=O)c1Cl 67711633 LKNVLAVSZYRCAP-LBPRGKRZSA-N 319.836 4.133 0 40 DIAB CCSc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72217189 RMXZTDMPALRYPE-MRXNPFEDSA-N 312.438 4.171 0 40 DIAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1 72277765 AUXCHQIYKFTVIE-INIZCTEOSA-N 317.477 4.017 0 40 DIAB Cc1ccccc1OCCNC(=O)c1c(Cl)cccc1Cl 76094804 ZXQOWEJYDQTCAA-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB CCCCCCCC[C@H](O)/C=C/[C@H](O)CCCCCC(=O)O 85603938 IPRLELFMTNDNMN-WEEZADPSSA-N 314.466 4.050 0 40 DIAB FC(F)(F)C(F)(F)CCOc1ccccc1Br 95094051 LTMLCISJRAZOTK-UHFFFAOYSA-N 319.067 4.416 0 40 DIAB Cc1nnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)s1 95984203 OEGKGLDVTGVQEB-SSDOTTSWSA-N 302.230 4.004 0 40 DIAB CO[C@@](C)(CNC(=O)Nc1cccs1)c1cccc(Cl)c1 96393227 XSYLUAYFURGQRX-HNNXBMFYSA-N 324.833 4.085 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 102599745 GVZILAKFWWDAGS-PBWTXFEYSA-N 323.436 4.121 0 40 DIAB CCOC(=O)c1sc(-c2cccnc2)nc1-c1ccccc1 169748341 VRARBAPDHXBMFE-UHFFFAOYSA-N 310.378 4.049 0 40 DIAB CC(C)NC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421749 PVWXSFNZUFGHQU-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB COC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225789957 PPPJQWVOKXCTQD-UHFFFAOYSA-N 315.413 4.238 0 40 DIAB S=C(NCCCc1ccccc1)Nc1ccc2ncccc2c1 408585385 GCGZUDDIMDAWSM-UHFFFAOYSA-N 321.449 4.154 0 40 DIAB Cc1ccc2sc(CN3CC[C@@H](Cc4ccncc4)C3)nc2c1 528444166 VLUIRRZTDLOHLD-INIZCTEOSA-N 323.465 4.064 0 40 DIAB CCc1ccc(Cn2nc(-c3ccccc3)c(CC)cc2=O)cc1 1559425845 RLXDJWWMDFCMHF-UHFFFAOYSA-N 318.420 4.083 0 40 DIAB CCCCC[C@H](O)[C@H]1CC=C[C@@H](CCCCCCC(=O)O)O1 1772591362 ADGNIITUSSHJDU-IXDOHACOSA-N 312.450 4.067 0 40 DIAB Cc1nc2ccc(C(=O)Oc3ccc(Cl)cc3)cc2nc1C 339908 ZPCDUNNOPBYJPN-UHFFFAOYSA-N 312.756 4.119 0 40 DIAB O=c1c(O)c(-c2cccc(Cl)c2Cl)oc2ccccc12 387533 DSACKZDUJJXQSB-UHFFFAOYSA-N 307.132 4.472 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1OCC 503961 VHGSMLQSLLLMCK-UHFFFAOYSA-N 321.323 4.015 0 40 DIAB COc1ccc(NC(=O)CCOc2ccccc2C)cc1Cl 2647234 IUTNIVMFSZVSAN-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)c1ccccc1 2708225 YZPKNAYHNUIJKL-OUKQBFOZSA-N 317.344 4.163 0 40 DIAB CCCCCCc1nnc(NC(=O)c2ccc(C)cc2)s1 3016587 UYXSPXXYCLFELJ-UHFFFAOYSA-N 303.431 4.222 0 40 DIAB COc1ccc(NP(N(C)C)C(Cl)(Cl)Cl)cc1 3259861 QLWMOMBVMGAFHP-UHFFFAOYSA-N 315.568 4.308 0 40 DIAB O=C(O)c1ccccc1CSc1nc2cc(Cl)ccc2o1 3366362 BDLCXOIRQOEWTF-UHFFFAOYSA-N 319.769 4.472 0 40 DIAB CC[C@@H](CO)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 4942871 WHYMIYDTVBPNCA-NSHDSACASA-N 314.212 4.114 0 40 DIAB COc1ccc(SCC(=O)Nc2ccc(C)cc2C)cc1 5240582 UHMQKSZLDFVMBQ-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1cc(NC(=O)Cc2ccc(F)cc2)ccc1Br 5678974 ULNZIEPFKPMUGD-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB Fc1ccccc1-n1cnnc1SC/C=C/c1ccccc1 6129337 UXXCJAMWNGYYGS-RMKNXTFCSA-N 311.385 4.212 0 40 DIAB Cc1cccc(CN2C(=O)S/C(=C/c3cccs3)C2=O)c1 6478770 DTCMTNKOWJCKOR-NTEUORMPSA-N 315.419 4.293 0 40 DIAB CC(C)(CO)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 6883161 PUTMTWORLCLHIY-UHFFFAOYSA-N 314.212 4.114 0 40 DIAB C[C@@H](c1cc2ccccc2o1)n1c(=S)[nH]c2ccccc2c1=O 7047231 PWFVELRTGJHEIW-NSHDSACASA-N 322.389 4.415 0 40 DIAB CC(C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 7225117 WJDHWCAUWRQVRT-ZDUSSCGKSA-N 300.377 4.388 0 40 DIAB c1ccc(OCCCSc2nc(-c3ccccc3)n[nH]2)cc1 7833333 YLLTULMEGZHDAZ-UHFFFAOYSA-N 311.410 4.033 0 40 DIAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc2ccccc2c1 10898093 PEYOZSIJWPEGMY-JLHYYAGUSA-N 316.356 4.279 0 40 DIAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(F)c(F)c1 12782059 DZWLXVZZVUXMLU-QMMMGPOBSA-N 313.706 4.248 0 40 DIAB O=C(Nc1ccccc1C(=O)O)c1cc2cc(Cl)ccc2o1 13302871 GLGYXZBVRJIMGJ-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 14847949 ISMINKGJWXYQQL-UHFFFAOYSA-N 306.365 4.140 0 40 DIAB CCCNC(=O)c1ccccc1OCc1ccccc1Cl 16639681 MPMINASLRGWDRD-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2cccc(F)c2F)on1 19120307 IAPXEWNQOPXQJD-OAHLLOKOSA-N 306.356 4.379 0 40 DIAB CCCOc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 20821775 IWZDMDKVLQCGTN-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(F)c1 22525945 FCQANTONIHISGR-INIZCTEOSA-N 305.324 4.069 0 40 DIAB FC(F)(F)c1ccc(NCCc2c[nH]c3ccccc23)nc1 24061469 OYZJVTOYNRTDPL-UHFFFAOYSA-N 305.303 4.236 0 40 DIAB Cc1ccccc1OCc1ccc(C(=O)N2CCCCCC2)o1 28236011 QCCNIBRPSBAEDJ-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB O=C(Cc1ccccc1F)N(C1CC1)[C@H]1CCc2ccccc21 40155091 VDBNUWWRYLEKSB-IBGZPJMESA-N 309.384 4.047 0 40 DIAB CC(C)Sc1ccccc1C(=O)NCCc1ccccc1F 45293436 MGQHFIQUYOMDHJ-UHFFFAOYSA-N 317.429 4.299 0 40 DIAB COc1ccc(CSCC(=O)Nc2cccc(Cl)c2)cc1 59503552 IUNZTQSYFHAALH-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB CC(=O)N1CCC[C@@H](c2ccc(-c3cccc(C)c3C)cn2)C1 72365871 OBFDKEWNHJXKBO-GOSISDBHSA-N 308.425 4.091 0 40 DIAB Cc1cc([C@@H](C)NC(=O)c2ccnc3ccccc23)c(C)s1 95349607 KFUJUXLQFMICJO-GFCCVEGCSA-N 310.422 4.404 0 40 DIAB CCC[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 95478403 QOCADACZCUOJLI-KRWDZBQOSA-N 309.475 4.244 0 40 DIAB COc1ccc(C(=O)c2ccc(OC(C)(C)C)cc2)cc1OC 95916077 AEKSRNHSOYGPMP-UHFFFAOYSA-N 314.381 4.112 0 40 DIAB Oc1cccc2c(NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cccc12 103249158 NWTJRMZDIJZYEF-MQIPJXDCSA-N 312.438 4.020 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 138183702 YFEYXLOOTCLWQB-OPNNQBFTSA-N 323.436 4.302 0 40 DIAB Cc1cccc(CNC(=O)CCc2cccc3ccccc23)c1 222673680 BUGGEIPDIRJXRD-UHFFFAOYSA-N 303.405 4.397 0 40 DIAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)c(C)c1 222784876 CAPWRDDTNSCTEK-SFHVURJKSA-N 315.388 4.089 0 40 DIAB CCc1ccc(CC)c(CNC(=O)CSc2ccccc2)c1 224020480 XZAHDLFTOCXQEX-UHFFFAOYSA-N 313.466 4.220 0 40 DIAB CCc1ccccc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225040418 JGVQEYYVLPPUCJ-IBGZPJMESA-N 312.409 4.447 0 40 DIAB Cc1ccc(C)c(C(=O)N(C)c2ccc(N3CCCC3)cc2)c1 225052948 NFLGIXNMGINLLF-UHFFFAOYSA-N 308.425 4.180 0 40 DIAB N=C(Nc1ccc(Cl)cc1)C(=N)Nc1ccc(Cl)cc1 255190598 YFUIRNKWCLPZAP-UHFFFAOYSA-N 307.184 4.472 0 40 DIAB CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)nc1C 257173346 KRZVKXJMECLJHL-GFCCVEGCSA-N 300.377 4.115 0 40 DIAB CCCOc1ccccc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265841 SKOQWZGVKCGGPS-UHFFFAOYSA-N 313.397 4.434 0 40 DIAB CC1=Nc2ccccc2[C@](O)(c2ccccc2)N1c1ccccc1 482093 VRTNCGIKAQZIGE-OAQYLSRUSA-N 314.388 4.450 0 40 DIAB O=C(Nc1ccc(F)cc1)C(F)(F)Oc1ccc(Cl)cc1 1393153 PTBWBCKDTNQODR-UHFFFAOYSA-N 315.678 4.089 0 40 DIAB CCc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 2126184 ZULSHXVBZVVHEH-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic CC[C@@H](OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c1ccccc1 2694601 PPTAYKHJILTVIZ-ZWKOTPCHSA-N 321.505 4.320 0 40 DIAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 4681375 WMMPDNSCQZHQJG-CYBMUJFWSA-N 317.816 4.375 0 40 DIAB CC(=O)OCCCC[C@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 5481109 RTYPTTJEBODVCN-FCGDIQPGSA-N 306.446 4.404 0 40 DIAB S=C(NCc1ccccc1Cl)Nc1cccc(Cl)c1 5945966 VNOCPPXHALOEFD-UHFFFAOYSA-N 311.237 4.480 0 40 DIAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(F)cc1F 6123035 QBZPSAPNGWVGRW-UHFFFAOYSA-N 316.351 4.207 0 40 DIAB O=C(c1ccc(-c2ccccc2F)o1)N1CCc2ccccc21 6646718 HVJLGWHFLHJDIK-UHFFFAOYSA-N 307.324 4.289 0 40 DIAB CCCCC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 6647665 QMVGDXZXDMDLCX-UHFFFAOYSA-N 303.402 4.350 0 40 DIAB COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 6661867 CFBWJHNUHGLYRW-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB Cc1nc(SCc2ncc(-c3ccccc3)o2)nc(C)c1C 7393297 YOLLXATUUYKGGZ-UHFFFAOYSA-N 311.410 4.349 0 40 DIAB O=C(Nc1cccc2ncccc12)c1cc2c(s1)CCCC2 7757840 ULTTXECMKCNUNK-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB COc1cc(NC(=O)CCCC2CCCCC2)cc(OC)c1 7969670 OEDFFKBFAWBVOG-UHFFFAOYSA-N 305.418 4.393 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2c(Cl)cccc2Cl)o1 12904092 OVDMOQQUQPFUIT-SNVBAGLBSA-N 312.196 4.315 0 40 DIAB Oc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1 13547465 CVDMUBOIXMHATK-UHFFFAOYSA-N 311.450 4.022 0 40 DIAB COc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1 14061817 GUJOHUAYZCXUCD-UHFFFAOYSA-N 303.361 4.199 0 40 DIAB OC1=NC(=S)S/C1=C\c1cc(Cl)c(O)c(Cl)c1 17124084 GSJQEDCPPJYLPN-CLTKARDFSA-N 306.195 4.028 0 40 DIAB COc1ccc(NC(=O)c2ccccc2-c2ccccc2)cn1 17296379 MRMQVBUXJKANMY-UHFFFAOYSA-N 304.349 4.010 0 40 DIAB O=C(CCc1ccc(Cl)cc1)Nc1cccc2cnccc12 21219614 QYRNGWCQDWNOSH-UHFFFAOYSA-N 310.784 4.460 0 40 DIAB CCC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 22131610 VOWAQIWMIGCXMF-UHFFFAOYSA-N 321.323 4.312 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 27277913 YTVSILKTFCCTHG-HZMBPMFUSA-N 318.804 4.189 0 40 DIAB CCCc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 28540006 GAKIKRXTUOGWBV-UHFFFAOYSA-N 301.415 4.198 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Nc2cccc3c2CCCC3)cc1 28795093 UWELITYCDMXKEM-CQSZACIVSA-N 324.424 4.013 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccccc2)on1 32197363 ROPPPDPQCJMINJ-QGZVFWFLSA-N 318.376 4.149 0 40 DIAB CCOc1ccc2cc(C(=O)c3ccc(NC(C)=O)cc3)oc2c1 32869581 XDFPALRILZIEID-UHFFFAOYSA-N 323.348 4.021 0 40 DIAB Cc1c([C@H](C)NC(=S)NCc2ccco2)oc2ccccc12 44239237 GGIVPQAWYGZVCY-LBPRGKRZSA-N 314.410 4.060 0 40 DIAB Cc1cc(N)cc(C)c1NC(=O)COc1ccc(C(C)C)cc1 45890072 RFCILGWTNJANJU-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB CCn1ncc2ccc(NC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)cc21 58418741 VDYHTKDZACTYFE-NVXWUHKLSA-N 311.429 4.233 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 72331694 FQEMSYYPCVKROA-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB Fc1cccc(Cl)c1CNc1cnn(-c2ccccc2)c1 89857591 XQAIVKSTGWREMK-UHFFFAOYSA-N 301.752 4.277 0 40 DIAB C[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1cccs1 90667859 HTBRMQZBDPHVJK-LSDHHAIUSA-N 315.486 4.019 0 40 DIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccc(Cl)c(Cl)c1 95096032 DBJJGKJZPVAWCW-GMSGAONNSA-N 301.091 4.012 0 40 DIAB CCC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cnc(C)s2)cc1 96485580 WDCGXGQBNOFSSI-VXGBXAGGSA-N 317.458 4.212 0 40 DIAB Cc1nc2cc(NC(=O)N3CC[C@H](c4ccccc4)C3)ccc2o1 158264486 LKRBRNVSBPCSRM-HNNXBMFYSA-N 321.380 4.158 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(C)cc1)c1ccc(C)cc1C 222763124 VEVNKQPOMJJTEL-LJQANCHMSA-N 311.425 4.258 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCc2ccccc2C1 222946896 SGRUGXZMXSNENU-IBGZPJMESA-N 323.436 4.046 0 40 DIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223189482 OZYAIAUXHLBDSF-ZDUSSCGKSA-N 313.828 4.249 0 40 DIAB Cc1ccc(C)c(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225028458 HGVNVWVNMPEKRS-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)c(C)n1 225905710 GUPXISBWNUQZGL-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CCCCCC(=O)Nc1cc(N)ccc1N1CCCC[C@H]1C 226253626 OYVWAYHVRRCPEO-CQSZACIVSA-N 303.450 4.166 0 40 DIAB C[C@@H]1C[C@@H](C)CN(c2c(Cl)cc(N)cc2Br)C1 226316444 HNLIFNHYGILPBE-RKDXNWHRSA-N 317.658 4.167 0 40 DIAB Oc1nc(-c2ccc(-c3ccccc3F)o2)nc2ccccc12 253536243 MFHJGMLZCVUXJA-UHFFFAOYSA-N 306.296 4.402 0 40 DIAB O=C(N[C@H]1CCCc2occc21)OCc1ccc(Cl)cc1 583651463 MUOLOKFYWXJSGV-AWEZNQCLSA-N 305.761 4.237 0 40 DIAB O=C(/C=C/c1ccsc1)NC1(c2cccs2)CCCC1 618255244 NXNKSUYQZDSCCE-AATRIKPKSA-N 303.452 4.409 0 40 DIAB Cc1cnc([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)s1 2037845926 NYILYIKSLWMBPJ-INIZCTEOSA-N 311.454 4.312 0 40 DIAB COc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 336652 ZDIAFTQHBBYUIU-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 361725 FOJMDZOMRBLXMG-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB Cc1ccccc1OC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1 1637030 HDJIFMJPTSYWII-DOTOQJQBSA-N 304.773 4.141 0 40 DIAB CCCCOC(=O)c1cccc(NC(=O)c2ccccc2C)c1 1801411 UUEGEGIYKNSAEJ-UHFFFAOYSA-N 311.381 4.204 0 40 DIAB Cc1cccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 2069676 FDIZNXAYXLZKRY-UHFFFAOYSA-N 304.411 4.060 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2c(F)cccc2F)cc1 2630139 UTIJFYWOANZPSX-UHFFFAOYSA-N 304.340 4.063 0 40 DIAB Cc1cccc(N(C(=O)c2ccccc2)C2=NC[C@H](C)S2)c1 3321800 YRQWYCOYKQEEQU-AWEZNQCLSA-N 310.422 4.133 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)CN[C@H]1CCCc2ccccc21 3335726 YNCYOIVUOAIOFH-SFHVURJKSA-N 318.420 4.326 0 40 DIAB S=C(NC1c2ccccc2Oc2ccccc21)c1ccncc1 4710186 FTIDNWBJFUADEU-UHFFFAOYSA-N 318.401 4.242 0 40 DIAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 4747522 YQOTWQCDYLHMRU-AWEZNQCLSA-N 322.360 4.060 0 40 DIAB biogenic CCn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 4932122 DYQVEAKZJPWTEG-UHFFFAOYSA-N 314.360 4.156 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1coc2cc(C)ccc12 6627432 TZXVVNANSKOUEA-UHFFFAOYSA-N 307.349 4.125 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 7402726 FDHQRMPRVPGIMZ-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccco2)cc1 9064425 CUJWRQUUPTWKMQ-AYJWMTRPSA-N 310.397 4.310 0 40 DIAB CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCCNC2)cc1 14631257 CEADWIJTPPOBLJ-QGZVFWFLSA-N 309.453 4.391 0 40 DIAB O=C(NCCCOC1CCCCC1)Nc1ccc(Cl)cc1 18177302 IYLXMIDVFDJTQQ-UHFFFAOYSA-N 310.825 4.201 0 40 DIAB COc1ccc2nc(CNC3(c4cccc(F)c4)CC3)ccc2c1 19563711 NTUVXQNHIXUERS-UHFFFAOYSA-N 322.383 4.161 0 40 DIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 20046040 FPHYIWKUIHHKQQ-UONOGXRCSA-N 315.438 4.053 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1c(F)cccc1F 22512901 AIQUODFZGBLTEQ-UHFFFAOYSA-N 313.303 4.379 0 40 DIAB COC(=O)c1ccoc1CSc1cc(C)c2ccccc2n1 23451641 MUBUSTVPRBNWKA-UHFFFAOYSA-N 313.378 4.215 0 40 DIAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)CCO4)c2cc1C 27128513 LOXUPNGVDNEXED-UHFFFAOYSA-N 321.376 4.166 0 40 DIAB O=C(NCc1ccco1)c1ccc(-c2nc3ccccc3s2)o1 32973880 NBOGVDAMZNEKKH-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB CCCC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 33659547 ZIGIUOKMOVONOB-UHFFFAOYSA-N 320.392 4.263 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(-c2cnco2)c1 48205435 PCKBCCOIDBPLFW-UHFFFAOYSA-N 317.348 4.004 0 40 DIAB CCCn1ccc2cc(NC(=O)c3cccnc3OCC)ccc21 58155205 DQYVGRBKPJFYSH-UHFFFAOYSA-N 323.396 4.097 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 170612572 VUMGPIOQOVMRQU-RHYQMDGZSA-N 307.484 4.159 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(C)cc1)c1ccc(OC)c(C)c1 223394358 UVCBYAIRWYCJIA-GOSISDBHSA-N 311.425 4.122 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225800929 MKVYKGXZCALHMW-LJQANCHMSA-N 315.413 4.382 0 40 DIAB N[C@H](c1ccccc1)[C@H]1C[C@H]1c1cccc(Br)c1 1536221939 OCUKHHOBGYMHTG-HRCADAONSA-N 302.215 4.253 0 40 DIAB Cc1cc2cc[nH]c2cc1NC(=O)N1CCc2cc(F)ccc21 1562627305 CDCBYGQYEAFPMX-UHFFFAOYSA-N 309.344 4.210 0 40 DIAB CN1[C@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2 968360 GIJXKZJWITVLHI-YOFSQIOKSA-N 307.437 4.418 0 40 DIAB in-vitro Cc1ccc(OCCCCn2c(CO)nc3ccccc32)c(C)c1 1926884 VPTHVLLNHLISOO-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 2159427 PJTGTQCMCBSMLP-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 3050331 UKAIIYFJCVMAIR-UHFFFAOYSA-N 305.830 4.171 0 40 DIAB O=C(CCSc1ccc(Cl)cc1)NCc1cccs1 3369080 HAEDLADXPPYMOJ-UHFFFAOYSA-N 311.859 4.200 0 40 DIAB O=C(Nc1ccccc1F)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 4189806 GGUBAOBARFCCSV-UONOGXRCSA-N 324.182 4.352 0 40 DIAB O=C1C[C@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1ccccc1 4992914 MYENYPWFZNCOTI-CYBMUJFWSA-N 324.330 4.063 0 40 DIAB CC(=O)CSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 5378003 CZFWCNPLZZLWED-DLBZAZTESA-N 311.406 4.177 0 40 DIAB CC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1)CCC2 5611024 IXCTWNBDVTVJAA-UHFFFAOYSA-N 309.409 4.316 0 40 DIAB CC1(C)Cc2c(ccc3ccccc23)C(CCN2CCCC2)=N1 6393105 VONRIRAYVHHHEN-UHFFFAOYSA-N 306.453 4.450 0 40 DIAB CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 6467676 RIYNQEGSJMAEFJ-UHFFFAOYSA-N 313.401 4.049 0 40 DIAB Cc1ccccc1C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 6504589 YUVDMZIGSUGYSH-FQEVSTJZSA-N 316.404 4.042 0 40 DIAB COc1cc2ccccc2cc1C(=O)N1CCc2ccccc2C1 7984514 NJUZJBWANOCYEO-UHFFFAOYSA-N 317.388 4.047 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 13710222 DJFTVTWSTRNVIM-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 14013244 COIZDHUDLLEQRV-GOSISDBHSA-N 313.397 4.190 0 40 DIAB CN(C(=O)Cc1ccccc1Cl)[C@@H]1CCCc2ccccc21 14245548 FMOGPYATOGYRCZ-GOSISDBHSA-N 313.828 4.419 0 40 DIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccccc1 15019190 WZFMELKUOHNUEK-XNTDXEJSSA-N 313.353 4.062 0 40 DIAB COc1ccc(/C=C2\OC(=O)c3c(Cl)cccc32)cc1OC 15922335 FMDFGQIZYVZARV-ZSOIEALJSA-N 316.740 4.026 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1CO 16449803 ZXUOAKGJNJLMPX-UHFFFAOYSA-N 311.168 4.130 0 40 DIAB COc1cc(/C=C\c2ccnc3ccccc23)cc(OC)c1OC 17326380 PAZAXHPAPRUCGE-HJWRWDBZSA-N 321.376 4.431 0 40 DIAB CC[C@@H](C)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19889690 BWIZVCZPDZIFHQ-GOSISDBHSA-N 324.468 4.395 0 40 DIAB Cc1nc(NC(=O)Cc2cccs2)sc1-c1ccccc1 31968406 AYTNWBOELGLCRZ-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB CSc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 32207601 HQSWZFNHMBBEQW-UHFFFAOYSA-N 310.378 4.316 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1)c1cccc(OC(F)F)c1 36394303 HQHNWHWTDFYVGA-ZDUSSCGKSA-N 319.351 4.098 0 40 DIAB COc1ccc(C)cc1N[C@H](C)c1nnc(-c2cccs2)o1 40463470 BRQJOOWOMGEGON-LLVKDONJSA-N 315.398 4.288 0 40 DIAB Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 44239625 FRUVCZSYBNBXMT-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB COc1ccc([C@H]2CCCN2c2nc(-c3ccccc3)no2)cc1 58369175 MHNWFCUYOKJDTC-QGZVFWFLSA-N 321.380 4.087 0 40 DIAB CC(C)NCSCc1ccccc1CSCNC(C)C 68604825 VGSMNJBRROMVHK-UHFFFAOYSA-N 312.548 4.064 0 40 DIAB Cc1ccnc([C@H]2CCCCN2C(=O)OCc2ccccc2)c1 72211216 CUDQJFHQXAEPAY-GOSISDBHSA-N 310.397 4.254 0 40 DIAB Cc1ccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)cc1 72328915 XZJPYHBJYFJXRO-UHFFFAOYSA-N 309.413 4.005 0 40 DIAB CCCN(C(=O)c1ccoc1)[C@@H]1C[C@@H](OCC)C12CCCCC2 78874869 YCJKRRATOMSJDY-IAGOWNOFSA-N 319.445 4.260 0 40 DIAB FC(F)(F)C(F)(F)CCOc1ccc(Br)cc1 95094053 SRMKQYIDXMLBOX-UHFFFAOYSA-N 319.067 4.416 0 40 DIAB C[C@@H]1C[C@@]2(C)[C@H](CC1=O)C[C@@H](C)[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 118935730 NBCSMIORBHVFQN-HEEMHOKKSA-N 318.501 4.451 0 40 DIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(C)c3)N21 222640539 RAINCGWTVZYUAZ-CGTJXYLNSA-N 323.465 4.369 0 40 DIAB COc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1C 222989420 ASQZUKDZQKFEOA-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB Cc1ccc(S[C@@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225026740 ZOCURGBBZVHPIU-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB Cc1ccc(N)cc1-c1ccc(C(=O)N(C)C2CCCCC2)o1 226303710 XDJMAEOICXVKMA-UHFFFAOYSA-N 312.413 4.242 0 40 DIAB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@H]1O 247940466 GCUZTKRRUTYKPX-KDJJVYBXSA-N 309.453 4.486 0 40 DIAB O=C(c1ccc(Br)cc1F)C(Cl)(Cl)Cl 306373018 OZAYIKGSAPZDLV-UHFFFAOYSA-N 320.372 4.141 0 40 DIAB CCc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccccc1 409204788 KFWNHYJNHKDKSJ-VXPUYCOJSA-N 322.433 4.057 0 40 DIAB Fc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1 412159 GFUWLVYOONTKGZ-UHFFFAOYSA-N 304.321 4.307 0 40 DIAB COC(=O)c1cc(Sc2c(Cl)cccc2Cl)ccn1 1389112 XAYNPJXWUIINSA-UHFFFAOYSA-N 314.193 4.326 0 40 DIAB Cc1ccccc1Nc1[nH]nc(N)c1-c1nc2ccccc2s1 3236894 UXWROARGUAVYGM-UHFFFAOYSA-N 321.409 4.321 0 40 DIAB Cn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21 3581726 JNEVSKJJTNZWKM-UHFFFAOYSA-N 314.385 4.048 0 40 DIAB O=C(CCc1ccccc1)Nc1nc2ccc(F)cc2s1 4194471 QJSRIVPPATTYJV-UHFFFAOYSA-N 300.358 4.007 0 40 DIAB O=C(c1ccccc1)N1[C@H]2CCCC[C@@H]2S[C@H]2CCCC[C@@H]21 5101116 OVVFTWHENPMSBS-XSLAGTTESA-N 315.482 4.498 0 40 DIAB O=C(c1cccnc1Oc1ccccc1Cl)N1CCCCC1 6222469 SUTJFOSSIANBOB-UHFFFAOYSA-N 316.788 4.153 0 40 DIAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccccc1F 7604004 XUDNIRRMDQVSOL-UHFFFAOYSA-N 324.735 4.155 0 40 DIAB CCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl 8111544 LVHVLCHKQOOTOS-UHFFFAOYSA-N 319.257 4.387 0 40 DIAB Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1 11084652 XCBBPPDTONCVPD-UHFFFAOYSA-N 317.816 4.237 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1F 12943267 HSWSBRZTUAUGAB-WAVCKPEOSA-N 315.413 4.436 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2ccc(F)cc21 13001391 QBSOZADVDLUSPG-AWEZNQCLSA-N 320.364 4.323 0 40 DIAB COc1ccc(OC)c(C(=O)Nc2ccc3sccc3c2)c1 13972453 YFJAMRCAGMJGGT-UHFFFAOYSA-N 313.378 4.171 0 40 DIAB Cc1nc2cc(NC(=O)c3oc4ccccc4c3C)ccc2o1 15575557 QNELQCTVXAOTOQ-UHFFFAOYSA-N 306.321 4.443 0 40 DIAB Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)n1 16283488 BEASAETZDCRTPK-UHFFFAOYSA-N 311.172 4.044 0 40 DIAB CC[C@@H](CNc1cc(OC)ccc1OC)Oc1ccc(C)cc1 19737815 VKDHWOYYHRKIGL-HNNXBMFYSA-N 315.413 4.282 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)CCSc1ccccc1 22367297 MZOFCEAELFCYLV-CQSZACIVSA-N 315.438 4.055 0 40 DIAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@H](C)c3ccc(C)o3)c2c1 24685907 ZTPFOQDSGUFPCR-CQSZACIVSA-N 310.397 4.106 0 40 DIAB CCCCN(C)C(=O)c1csc(Nc2cccc(C)c2)n1 27118009 DEFABWVTGJHIIX-UHFFFAOYSA-N 303.431 4.067 0 40 DIAB O=C(Nc1ccc2cc[nH]c2c1)c1cccc(-n2cccc2)c1 32102802 DHAOWSDWXUBRFR-UHFFFAOYSA-N 301.349 4.211 0 40 DIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccccc1 32602196 XWRUDUMYLXTXPE-UHFFFAOYSA-N 317.193 4.070 0 40 DIAB CC(C)[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 32803510 DQWWPLDNOMQSGD-WMZOPIPTSA-N 312.413 4.354 0 40 DIAB CN[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 35462927 UZFSWTZILMXUJB-AWEZNQCLSA-N 310.622 4.411 0 40 DIAB in-vitro O=Cc1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1Cl 37326832 ZSMOMMUHISDZQF-UHFFFAOYSA-N 309.074 4.010 0 40 DIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1C 38833578 GMWZMDJDKHMIGC-IBGZPJMESA-N 322.452 4.154 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc2cccnc12 40025792 LUJOMTCBMLLTEQ-UHFFFAOYSA-N 316.404 4.065 0 40 DIAB Cc1ccc(CN[C@@H](c2cccc(F)c2)c2nccn2C)c(C)c1 42203988 MRLGEHCQLRJUFJ-IBGZPJMESA-N 323.415 4.055 0 40 DIAB CCOc1ccccc1Nc1cc(N)nc(-c2ccccc2F)n1 49467883 YDMJKDMPJCKCLU-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)oc1C 54235111 KZXMCYKKYUJJPT-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1 54849636 CCKQNNBGFSBPNJ-UHFFFAOYSA-N 303.789 4.265 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2nsnc2c1 59294109 ULOGPJBFEJTFHR-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB OC1=C(C2=NCCN2)CCC/C1=C\c1ccc(Cl)cc1Cl 62716115 IXHBSNANVZIPQE-DHZHZOJOSA-N 323.223 4.375 0 40 DIAB O=C(NCc1ccccc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80343973 VRNGUAWVAIAHOW-HOTGVXAUSA-N 320.219 4.413 0 40 DIAB Cc1nc2cc(CSc3nncc4ccccc34)ccc2[nH]1 95941666 FMTDZUZHBZEWHJ-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB Cc1cc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)ccc1Cl 113969275 HNNQNHCHOPMTSH-CYBMUJFWSA-N 311.853 4.213 0 40 DIAB C[S@@](=O)Cc1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 129523184 QTCHAFKQVPYPKF-UPBLURMWSA-N 319.392 4.098 0 40 DIAB CCCCCNC(=O)c1ccc(OCC)c(COCC(C)C)c1 224741529 MATQDXAATUIVCY-UHFFFAOYSA-N 321.461 4.178 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 251364265 PNRLPVRXLBDAFX-APHBMKBZSA-N 303.402 4.030 0 40 DIAB FC(F)(F)c1ccc(CC2CCC(N3CCCC3)CC2)nc1 257312830 UPTASRRTUSROBI-UHFFFAOYSA-N 312.379 4.298 0 40 DIAB Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C 149123 VSIKGKBROIKMHS-UHFFFAOYSA-N 301.198 4.319 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 505745 ORUSXXDVPDOHAR-ZDUSSCGKSA-N 301.361 4.357 0 40 DIAB COc1ccc(/C=C/C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 525937 YUNPEDDTJNLGFQ-ISGQZDKISA-N 313.441 4.136 0 40 DIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCCC1 903401 UVDIMUSBHRCWQW-UHFFFAOYSA-N 304.390 4.468 0 40 DIAB Cc1cc(NNc2ccccc2)n2cc(-c3ccccc3)nc2n1 1384174 BWZCUSXRPVUJNQ-UHFFFAOYSA-N 315.380 4.144 0 40 DIAB CCOc1ccc(Nc2nc(SC)ncc2SC)cc1 1685272 SHPHCQZLMLNXQA-UHFFFAOYSA-N 307.444 4.063 0 40 DIAB COc1nc2ccc(C)cc2cc1-c1noc(-c2cccs2)n1 2423159 MCFWRYVJBNQKCG-UHFFFAOYSA-N 323.377 4.330 0 40 DIAB Cc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1C 2621175 HPTCKWXRHSNMEA-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB COc1cc(SC)ccc1C(=O)Nc1cccc(SC)c1 3341574 ZIPCMPMIAKCFMP-UHFFFAOYSA-N 319.451 4.391 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 3382467 VKUPLRSOXZKKPR-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB Cc1c(C(=O)NCC(F)(F)F)oc2c1ccc1ccccc12 5419235 DBTHVRMENOCMRO-UHFFFAOYSA-N 307.271 4.187 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2c(OC)cccc12 5561608 OEXGNZQIKVUSNR-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB COc1ccccc1CNC(=O)c1sccc1-c1ccccc1 5937145 SQHOWAADENHKCC-UHFFFAOYSA-N 323.417 4.354 0 40 DIAB COc1cc(/C=C/c2nc3ccccc3s2)cc(OC)c1O 6566680 UJBXCLPXVBYQIB-BQYQJAHWSA-N 313.378 4.190 0 40 DIAB C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 7222362 UHHOAALKKLOJMA-SNVBAGLBSA-N 309.196 4.433 0 40 DIAB COc1ccc([C@@H](NC(=O)c2ccc(F)cc2F)C(C)C)cc1 7922891 FSWAQXTZDDMHDQ-KRWDZBQOSA-N 319.351 4.101 0 40 DIAB Cc1nc(COc2cc3oc(=O)cc(C)c3cc2Cl)cs1 8316298 SDVQNHZHLSIZFE-UHFFFAOYSA-N 321.785 4.099 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cc2c(C)nn(C)c2s1 8920174 BBWXGDAGDMEPTL-UHFFFAOYSA-N 319.817 4.157 0 40 DIAB CCc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 10364691 DILWFYNBTAHGES-UHFFFAOYSA-N 308.425 4.097 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)c(C)c1 13829325 UFMFWPNZBYYUDG-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB CNC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 13865304 GVEBXRKSNRADFP-UHFFFAOYSA-N 313.451 4.188 0 40 DIAB COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)cc1 16689863 GLCLHPSNIKIGNE-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1CC 20460237 BGMGGPNOIGVBRU-CQSZACIVSA-N 313.397 4.054 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N2CCCc3cc(C)ccc32)c1 23689606 LXHARLVZTZFIDT-MRXNPFEDSA-N 309.409 4.050 0 40 DIAB O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2cc1O 25560005 YFKMTWXHZQSUGY-UHFFFAOYSA-N 310.378 4.132 0 40 DIAB C[C@H]1C[C@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 27386615 KJYHOOMZMJIDSX-MEDUHNTESA-N 314.768 4.132 0 40 DIAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CC1 29013021 UOTDZLUWXGFWNS-UHFFFAOYSA-N 312.316 4.177 0 40 DIAB CCCCCCNC(=O)N[C@H](c1ccccc1)c1ccccn1 29726432 HWUVGVSWKBKAOS-GOSISDBHSA-N 311.429 4.051 0 40 DIAB CC(C)[C@@H](C)NC(=O)Nc1ccc(Br)cc1Cl 40023883 GGGZZVJXCWYQLS-MRVPVSSYSA-N 319.630 4.269 0 40 DIAB C[C@@H](NC(=O)CCNc1ccccc1)c1ccccc1Cl 40069615 VOVFJAUPYINLDX-CYBMUJFWSA-N 302.805 4.019 0 40 DIAB CN(C(=O)c1ccc(COc2ccccc2)o1)C1CCCCC1 40159882 NYRCUDPBUYKHLI-UHFFFAOYSA-N 313.397 4.263 0 40 DIAB Cc1cc2occ(CC(=O)NCc3ccncc3)c2cc1C(C)C 40160340 RACHQMHBDYAAMA-UHFFFAOYSA-N 322.408 4.119 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCCC1 44880603 YOUADNOTLZQDKF-SFHVURJKSA-N 319.445 4.082 0 40 DIAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)no1 45261993 XRGCLFDOLKPWSI-VIFPVBQESA-N 313.184 4.123 0 40 DIAB CCCCOC(=O)c1ccc(-c2ccc(C=O)o2)c(Cl)c1 57351510 FVUZQNHODJPFDG-UHFFFAOYSA-N 306.745 4.369 0 40 DIAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc(C)cc1 59351829 VENVDNCEZIJNAI-SFHVURJKSA-N 311.425 4.258 0 40 DIAB c1ccc(-c2nc(COc3ccc4ncccc4c3)co2)cc1 65206035 HMFILKLZPHFNDO-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2nccs2)o1 75543879 DUCTYXILZIICAP-CMPLNLGQSA-N 305.403 4.050 0 40 DIAB C[C@@H]1C[C@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 78999732 WAFOQERJYNGVML-MFKMUULPSA-N 321.829 4.433 0 40 DIAB Brc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)cc1 85394443 BJTQABVGRQECFZ-WBVHZDCISA-N 316.242 4.342 0 40 DIAB Cc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 96343739 YJKYTZMTQLDWCK-UHFFFAOYSA-N 305.333 4.264 0 40 DIAB CC(=O)COc1ccc(-c2csc3ccccc23)cc1C=O 103016079 BYCUGKUZPNAGNG-UHFFFAOYSA-N 310.374 4.349 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C)c(C)c2)on1 106832884 JSJMKUSLAUSVMQ-SQNIBIBYSA-N 324.424 4.067 0 40 DIAB CCCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 141422105 JLZKZPCLCCIDIX-UHFFFAOYSA-N 307.777 4.042 0 40 DIAB O=C(c1cccs1)N1CCS[C@H](c2ccccc2F)CC1 219100417 FOHMZKNNZOSRPV-AWEZNQCLSA-N 321.442 4.208 0 40 DIAB O=C(NCCCc1ccc(F)cc1)Nc1ccc(Cl)cc1 222633726 CHBNCTAEFBGRHZ-UHFFFAOYSA-N 306.768 4.233 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1C 225033958 DGGUBMIZAAYVEG-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225716973 IIIWKOFQFZQWKE-KUHUBIRLSA-N 319.445 4.318 0 40 DIAB CCC1(NC(=S)Nc2ccc(OC(C)C)cc2)CCCC1 225867268 XZBGSFZLLXUMKZ-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB CCCCN1c2cc(OC)c(C(=O)O)cc2[C@H](C)CC1(C)C 260722661 REGCJGDOLZPSDP-GFCCVEGCSA-N 305.418 4.286 0 40 DIAB CCCCOc1ccc(C(=S)NCc2ccc(F)cc2)cc1 408572760 ICAXITVVNFVWLY-UHFFFAOYSA-N 317.429 4.470 0 40 DIAB Brc1c(-c2ccccc2)nc2n1Cc1ccccc1-2 48366 XJRZJTDNCJPTKZ-UHFFFAOYSA-N 311.182 4.341 0 40 DIAB COc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C 68961 ZOHDDYIKYMGLDE-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1cccc(C)c1OC(=O)c1ccc(Br)cc1 129590 MRDMRMRACUFTMI-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB COc1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 1779302 RQTVWPOGYQWNGM-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 2695288 HPIFJYLSEWLRGO-NSHDSACASA-N 307.752 4.194 0 40 DIAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 3881782 GCKMFJBGXUYNAG-QONVVCGCSA-N 302.458 4.269 0 40 DIAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)C[C@@]4(C)CC[C@@H]32)C1 4777676 OUMKTFKBXXEGOM-BHNCTZQBSA-N 304.474 4.325 0 40 DIAB biogenic Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 5245434 SCXLNFRGQUJBIP-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CCn1cc(NC(=O)Nc2cccc(OC)c2)c2ccccc21 5266139 UDVJVTXUVJBJLA-UHFFFAOYSA-N 309.369 4.314 0 40 DIAB O=C1CC(CSc2ccc(Cl)cc2)=NN1c1ccccc1 5731548 UEJOYLUQOKEXDB-UHFFFAOYSA-N 316.813 4.225 0 40 DIAB CC[C@H](C)c1ccc(Nc2nc(C)c(C(=O)N(C)C)s2)cc1 6910798 HEYOCKLILOLLPT-NSHDSACASA-N 317.458 4.410 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2c(C)cc(Cl)cc2C)cc1 6923563 NKQQEEVPWZWKSN-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(C)c1C 8040754 WTLZDVUZXXPBBZ-INIZCTEOSA-N 313.397 4.108 0 40 DIAB COc1ccccc1NC(=O)c1occc1COc1ccccc1 8735457 BOILBQJUFPSZAF-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 12780102 SDJIPEMPBMOLKX-AWEZNQCLSA-N 322.408 4.284 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C 13135482 USBXXAYFXKMOCA-UHFFFAOYSA-N 324.302 4.105 0 40 DIAB Cc1occc1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 22742114 PATAQSQTQRKSRH-CMDGGOBGSA-N 304.349 4.406 0 40 DIAB CCc1ccc(CCC(=O)N[C@H](C)c2ccccc2OC)cc1 23530569 ZAAQVZCAQXAJOZ-OAHLLOKOSA-N 311.425 4.068 0 40 DIAB COc1ccc(OC)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1 44845096 WZBPBKLMKYBAHY-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB Cc1ccc([C@H](C)N(C)Cc2noc(-c3cccs3)n2)s1 65538519 OGXBEUFLHRXQQW-NSHDSACASA-N 319.455 4.361 0 40 DIAB COc1ccc2c(c1)c(C(=O)N[C@H](C)C(C)C)c(C)n2C1CC1 84026926 FMFSLRDTECAQNJ-GFCCVEGCSA-N 314.429 4.068 0 40 DIAB CCc1nc(NC(=O)C2(c3ccccc3)CCC2)sc1C 95350874 ISEYPADALRHDEX-UHFFFAOYSA-N 300.427 4.074 0 40 DIAB CCO[C@@H](C)c1nc(C(=O)O[C@@H](C)c2cccc(F)c2)cs1 95399928 GLOGLPGABDXKHX-QWRGUYRKSA-N 323.389 4.298 0 40 DIAB Fc1ccc([C@@H](Nc2ccc3nccnc3n2)C2CCC2)cc1 95958370 XLZQWBNBAKIELK-KRWDZBQOSA-N 308.360 4.117 0 40 DIAB CC[C@@H](NCc1ccn(C)c1)c1ccccc1Br 95968904 FBNRXWWVZLEWKI-OAHLLOKOSA-N 307.235 4.029 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1F 96171056 SBEXXWNHFSQBFR-UHFFFAOYSA-N 314.238 4.368 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCC[C@@H](C)C1 216866605 FEVPBAIAYZMUKA-CQSZACIVSA-N 323.440 4.066 0 40 DIAB O=C(CCc1ccccc1Cl)NCCSc1ccccc1 220011083 BHQDWJKEEGISNF-UHFFFAOYSA-N 319.857 4.181 0 40 DIAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2ccccc12 225817883 UXEXTTMYMWQSCO-IBGZPJMESA-N 315.413 4.382 0 40 DIAB CO[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534260 YQVNELYVHGIKRR-GAYLIBHVSA-N 304.474 4.325 0 40 DIAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)Cc1ccco1 257173527 PSFYMGBFBKGERP-UHFFFAOYSA-N 324.355 4.061 0 40 DIAB O=C(NCCc1ccc(-c2cccs2)s1)c1ccco1 1889192020 RFUIJJHZKMLZPC-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC1CCCCCC1 36354 JHEXNANCEAYZDG-DGCLKSJQSA-N 304.261 4.417 0 40 DIAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 149694 MTQTXUYZZLIHHS-XNTDXEJSSA-N 324.424 4.193 0 40 DIAB C[C@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 383831 UXIPVOIIFUKESO-VIFPVBQESA-N 310.180 4.299 0 40 DIAB Cc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 584503 XMHVLCAFPRZSIR-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CCOc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 817687 XSUJNRMBZXPXTR-LJQANCHMSA-N 305.381 4.230 0 40 DIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)cc1F 2515414 UROTUMLSUQMDKW-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C)(C)C 2748362 KKXGXHWAOGZSHC-UHFFFAOYSA-N 317.410 4.186 0 40 DIAB CSCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 3333706 DZVUTSBICBXWGT-UHFFFAOYSA-N 306.456 4.037 0 40 DIAB Cc1cnc(NC(=O)c2ccc(COc3ccccc3)cc2)s1 3555775 JQYDGRBNZNZSTM-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CCc1ccccc1NC(=O)CCCOc1ccc(OC)cc1 3557637 WVBOFXPCAYOREM-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(Cl)cc1 4331522 LEVOSGJNTUEWMZ-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB S=C1NC2(CCCCC2)N=C1c1ccc(Cl)c(Cl)c1 4891087 NHHBGXWQHFNWSG-UHFFFAOYSA-N 313.253 4.374 0 40 DIAB CCc1cccc(OCC(=O)Nc2ccc(C)cc2Cl)c1 5637088 QEASEKQMTHMHIJ-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 5671803 VFCAPZWYSHKNRN-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 5749619 WHZMLVMRLXVQKK-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CC[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C)cc1 6050084 MQMDTUKUKKDVCG-QGZVFWFLSA-N 317.816 4.295 0 40 DIAB Cc1cccc(NC(=O)CCC(=O)Nc2cccc(C)c2C)c1C 6302581 QCHYANLGHLROQS-UHFFFAOYSA-N 324.424 4.278 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Br)s2)c(C)c1 6472771 KDTJDHFRLVCYKX-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB CCCOc1ccc([C@H](CN)c2c[nH]c3ccccc23)cc1OC 6645711 GRZCBPDKMIZUHK-INIZCTEOSA-N 324.424 4.056 0 40 DIAB C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 6647461 GLBODGGTKLKNLQ-LLVKDONJSA-N 303.402 4.257 0 40 DIAB S=C1NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl 6818776 IPZDUVUZSCQJTN-UHFFFAOYSA-N 313.253 4.374 0 40 DIAB CCCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1OC 7007416 ACZAUMNXKHDVPP-FOWTUZBSSA-N 323.392 4.001 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccccc2F)c1 8371113 HHDXTLAOLTVEFJ-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCCC1 8984519 MKSKSKSSMSEKBF-UHFFFAOYSA-N 310.180 4.489 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc3c(c2)nnn3CC)cc1 15504615 LWSXFZTWDLHQRU-UHFFFAOYSA-N 322.412 4.046 0 40 DIAB O=C(CCc1ccco1)Nc1ccc(OC(F)F)c(Cl)c1 16005212 XSVPDQZBKUTRFV-UHFFFAOYSA-N 315.703 4.106 0 40 DIAB O=C(Nc1ccccc1O)c1cccc(Oc2ccccc2)c1 16483007 IXUGMNIGTYWEED-UHFFFAOYSA-N 305.333 4.437 0 40 DIAB O=C(/C=C\c1ccnc2ccccc12)NCc1ccc(Cl)cc1 17111674 TUXNNHHKCGWUPI-YFHOEESVSA-N 322.795 4.218 0 40 DIAB CN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)c2ccccc21 17699564 BTYQUHWFIPIKGD-RAXLEYEMSA-N 319.282 4.102 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2c(F)cccc2F)no1 19119374 IQBXYQIGDLPDSN-KRWDZBQOSA-N 306.356 4.379 0 40 DIAB c1ccc(CCOc2cccc(CNCc3ccco3)c2)cc1 19738002 QVJWSLRIINJCOU-UHFFFAOYSA-N 307.393 4.191 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(C)cc1 19934692 OTTAMCFFNNQQQH-IBGZPJMESA-N 311.425 4.086 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccccc1 20485134 XYFDUZIVWNKMDS-MRXNPFEDSA-N 303.789 4.160 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)c1 38756115 DNHROVYWESDTBG-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB Cc1ccc(-n2nc(C(C)(C)C)c3cc(C(=O)O)sc32)cc1 49452918 RDDGHGSFCUIHLX-UHFFFAOYSA-N 314.410 4.391 0 40 DIAB COc1ccc(NC(=O)Nc2cc(F)ccc2Cl)c(C)c1 51355899 JRTKIYVUHDEVBU-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB O=C1NCC[C@H]1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 95971774 WGALHKDXVVZRPS-CVEARBPZSA-N 317.841 4.051 0 40 DIAB CC(C)Cc1ncc(CN[C@H]2c3ccccc3C[C@H]2C)s1 97020284 VXBVVYIZJQXZAU-FZKQIMNGSA-N 300.471 4.365 0 40 DIAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1cccs1 100887833 KRZVVHTVRHOLOK-FIQHERPVSA-N 305.472 4.293 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C)c(C)c1 225089712 QSRZQHJFEYKTEE-LJQANCHMSA-N 309.409 4.119 0 40 DIAB S=C(Nc1ccncc1)NC(c1ccccc1)c1ccccc1 225178949 GLJSZXWPTMLDIU-UHFFFAOYSA-N 319.433 4.158 0 40 DIAB Fc1cccc(F)c1NC(=S)NCc1ccc(Cl)cc1 225304972 GTLURMVRHXWRRA-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB Nc1cc(C(=O)N2CCCC2)ccc1NC1CCCCCCC1 225449796 GXAKPMVWQOKEFP-UHFFFAOYSA-N 315.461 4.030 0 40 DIAB COC(=O)c1ccc(CC(C)C)n1Cc1ccc(Cl)cc1 226023458 XHBWJOIBNNYKCQ-UHFFFAOYSA-N 305.805 4.175 0 40 DIAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 253615999 KRJQERWTNABLPQ-VWPQPMDRSA-N 319.448 4.414 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]21C 263597451 GUBNWXDDDXQJOQ-IIYNAOSSSA-N 306.490 4.141 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4073945 QGKQXZFZOIQFBI-XSWYFRFISA-N 306.490 4.141 0 40 DIAB biogenic,in-man O=C(COc1ccccc1F)Nc1ccc(Cl)c(Cl)c1 5860570 IWFNQULQVQVIQN-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB COc1ccc(SCC(=O)Nc2ccccc2SC)cc1 7790041 XTPULEUZYBKNCV-UHFFFAOYSA-N 319.451 4.148 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)c(C)c1 7796256 DVZOHJUIUQCNIY-GWCFXTLKSA-N 300.427 4.330 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)NCCc1ccccc1 8382850 DSQQMABJNNINAZ-UHFFFAOYSA-N 319.404 4.211 0 40 DIAB Cc1nc2cc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)ccc2o1 9883316 SVQLDPICNYQASZ-UHFFFAOYSA-N 319.364 4.487 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](C)Oc1ccccc1 12533135 VFEYKYQTLWIFHW-MRXNPFEDSA-N 324.424 4.001 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 16237519 IQBFQDKKTVTVCK-CWSCBRNRSA-N 314.376 4.180 0 40 DIAB CCOc1ccc2ncc3c(-c4ccc(F)cc4)n[nH]c3c2c1 21365431 NQONYHUHQYVECA-UHFFFAOYSA-N 307.328 4.316 0 40 DIAB O=C(O)C[C@@H](c1ccccc1)c1ccc(Br)cc1 25496823 YWVPNKXYIIUHMY-AWEZNQCLSA-N 305.171 4.056 0 40 DIAB Cc1cc([C@H](C)NC(=O)NCc2ccc(F)cc2)c(C)s1 28356123 RPBGIPBOHKHJDP-NSHDSACASA-N 306.406 4.064 0 40 DIAB Cc1cc(NC(=O)c2ccc(F)cc2)c2cc(F)cc(F)c2n1 28580165 GNYADRCORDQVJG-UHFFFAOYSA-N 316.282 4.213 0 40 DIAB Cc1nc(NC(=O)/C=C/c2cccnc2)sc1-c1ccccc1 31967769 ZSBFLKHGYJBETI-MDZDMXLPSA-N 321.405 4.165 0 40 DIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)o1 32721746 BMMUMXYJGIKWFD-CYBMUJFWSA-N 309.365 4.241 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1ccc2oc(C3CC3)nc2c1 33213835 ZHCXPEKQIPPQER-UHFFFAOYSA-N 310.328 4.026 0 40 DIAB C[C@H](NC(=O)CCSC(F)(F)F)c1cc2ccccc2o1 40088835 AJINKQBQOJCASG-VIFPVBQESA-N 317.332 4.253 0 40 DIAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 40107059 BUGZUQGRIPEQLO-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB Cn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1ccco1 48275597 BHAIZHWRBUTJNR-OAHLLOKOSA-N 311.410 4.245 0 40 DIAB Cc1ccc2cccc(NC(=O)N(C)[C@@H](C)c3ccccn3)c2n1 71907969 YSWMYTWXJORWKQ-AWEZNQCLSA-N 320.396 4.163 0 40 DIAB O=C(c1cccs1)N(CCc1cccs1)Cc1ccco1 75154749 NHWRTOJNMYYLGH-UHFFFAOYSA-N 317.435 4.288 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 78457945 MXJNMNGWTNGTBZ-CVEARBPZSA-N 311.425 4.202 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 79237918 BINKTGBRVURJLM-UHFFFAOYSA-N 308.381 4.314 0 40 DIAB CC(=O)c1ccc(Br)cc1OCc1ccccc1 95829659 DMTBJGHFJQZJQD-UHFFFAOYSA-N 305.171 4.231 0 40 DIAB Cc1ccc(CN[C@@H](C)c2cncc(F)c2)c(OC(C)C)c1 95969188 ATECTVBNYHEWEI-AWEZNQCLSA-N 302.393 4.167 0 40 DIAB CC(=O)Oc1ccc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 100292435 SRZZJSRTPWVXAD-PZPLHWDISA-N 300.398 4.148 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C 123015456 RALDZTXQHOYRGO-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CC(C)O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132578 DGUZAUVFGJUJKW-INIZCTEOSA-N 316.422 4.259 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1CCCCC1 225203452 QAUCBPQVNKHRCV-OAHLLOKOSA-N 315.457 4.029 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225690430 KJLITYSQXOTBJG-IBGZPJMESA-N 321.461 4.482 0 40 DIAB Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)c1 226254322 UYAHEYMLECJNNS-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260658773 IQBFQDKKTVTVCK-KWBADKCTSA-N 314.376 4.180 0 40 DIAB Cc1nsc(C)c1NC(=O)N(C)Cc1ccc(Cl)s1 585086497 PSTVMJUTBBEBPQ-UHFFFAOYSA-N 315.851 4.139 0 40 DIAB CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 523815 QTJZZHZQGSSOKC-UHFFFAOYSA-N 324.428 4.225 0 40 DIAB CCc1cccc2sc(NC(=O)c3ccc(F)cc3)nc12 4348312 BMXXWZSNMDQFAU-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2CC)c1 4731536 BRLVNILPYWRMGI-UHFFFAOYSA-N 310.397 4.240 0 40 DIAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC 6205694 OUKSEWUJFZBHMJ-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CCc1nnc2c(NCCC3=CCCCC3)nc3ccccc3n12 7504160 QYGVNEXOQDMVJQ-UHFFFAOYSA-N 321.428 4.142 0 40 DIAB COc1cc(C(=O)O)ccc1OCc1cccc2ccccc12 7604042 ROAHECXUTJBWGY-UHFFFAOYSA-N 308.333 4.126 0 40 DIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)C1CCCC1 7793010 PPPGHSOWKNNCSG-UHFFFAOYSA-N 312.438 4.428 0 40 DIAB O=C(c1ccco1)N(Cc1cccs1)c1ccc(F)cc1 8586629 GAJLPSNMMBXMRA-UHFFFAOYSA-N 301.342 4.327 0 40 DIAB COc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(C)nc2c1 10404170 VCSSAGCMBCHZLP-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1cccc(C(=O)NCCCCOc2ccc(Cl)cc2)c1 11084771 ITIGVPJXBBIZIG-UHFFFAOYSA-N 317.816 4.237 0 40 DIAB CCc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 12820945 JTJUGCQQEDCFFK-UHFFFAOYSA-N 320.392 4.394 0 40 DIAB COc1ccc(N(Cc2ccccc2)c2snnc2C)cc1 32611847 GNQGGRAKWCORMU-UHFFFAOYSA-N 311.410 4.193 0 40 DIAB O=C1[C@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 40156579 ZAJJPROABUPSOI-VQTJNVASSA-N 315.372 4.222 0 40 DIAB Cn1cc(NC(=O)Nc2ccccc2SC2CCCC2)cn1 48076976 YAZWUDRKWKBBDM-UHFFFAOYSA-N 316.430 4.099 0 40 DIAB O=C(Nc1ccc(Oc2cccc(F)c2)nc1)NC1CCCC1 58086707 LJJUGBGEJLAPMD-UHFFFAOYSA-N 315.348 4.077 0 40 DIAB CCCn1ccc2cc(NC(=O)c3ccnc(Cl)c3)ccc21 60271241 BPWKIZIQTBEXAS-UHFFFAOYSA-N 313.788 4.352 0 40 DIAB COCc1cccc(NC(=O)N(Cc2ccc(C)o2)C(C)C)c1 69703680 MKJVCDSZUSBAKH-UHFFFAOYSA-N 316.401 4.177 0 40 DIAB Cc1noc(C)c1NC(=O)c1ccc(OC2CCCCC2)cc1 71910383 PAMJKKFFHRGVMC-UHFFFAOYSA-N 314.385 4.255 0 40 DIAB Clc1ccc(-c2cc3nccc(-c4cccnc4)n3n2)cc1 79489277 NGGUGMONVWDTPN-UHFFFAOYSA-N 306.756 4.112 0 40 DIAB CC(C)(C)c1ccc(OCc2nnc(-c3cccc(N)c3)o2)cc1 85386133 HVSDAWMVCWUOKR-UHFFFAOYSA-N 323.396 4.195 0 40 DIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCc1ccc(F)cc1Cl 89522648 YBTZJOMFOAWEOI-SECBINFHSA-N 324.783 4.056 0 40 DIAB Cc1ccc([C@@H](C)CN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 91726809 FHTQKQZCHGYYOY-HOCLYGCPSA-N 322.456 4.109 0 40 DIAB CC(C)(C)OC(=O)Nc1ncccc1OCc1ccccc1 96557423 HPOVXLSNJDWKNZ-UHFFFAOYSA-N 300.358 4.008 0 40 DIAB C[S@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 195553935 DEOISGKJOUQSBW-CVDCTZTESA-N 322.433 4.021 0 40 DIAB CCCOCc1cc(C(=O)NC2CCCCC2)ccc1OCC 224702887 WVULLMPQNVKMMB-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccncc1 225662030 FUCLSBNYCJBPJB-CQSZACIVSA-N 313.470 4.124 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1 225670664 BTIXXFGJRPPVQO-GOSISDBHSA-N 305.418 4.009 0 40 DIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257275202 NOIJMEQDGGGOTL-VFXOAVOPSA-N 321.505 4.159 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1ccc(OC(C)C)cc1 149633 UUNBLJPPILLTQZ-MDWZMJQESA-N 311.381 4.134 0 40 DIAB CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 557984 GXWLCDYMQQUOBM-UHFFFAOYSA-N 314.351 4.290 0 40 DIAB Cc1ccccc1NC(=O)C[C@@H](C)[C@@H](CCC(C)C)C(=O)O 2306685 BIVPKPIKICYZDK-HUUCEWRRSA-N 305.418 4.097 0 40 DIAB CSc1ccc(C(=O)c2ccc(CN3CC=CC3)cc2)cc1 2514892 KPYQJBYPYKLZKF-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB CCN(c1ccc(NC(=O)CCc2ccccc2)cc1)C(C)C 3333335 ZCKKFZCYUBTTDP-UHFFFAOYSA-N 310.441 4.493 0 40 DIAB CN(C)c1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 3333643 XFAFXYSODLIINF-UHFFFAOYSA-N 323.314 4.128 0 40 DIAB c1cncc(-c2nc(NCc3cccs3)c3ccccc3n2)c1 3357513 LOPGUWAPDVMPKH-UHFFFAOYSA-N 318.405 4.365 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C[C@H]1C 3536915 HTSIBWPMIFIITB-GFCCVEGCSA-N 314.816 4.038 0 40 DIAB Cc1cnc(NC(=O)CCSc2ccc(Cl)cc2)s1 3555898 QWSNNBFKFHTLTP-UHFFFAOYSA-N 312.847 4.226 0 40 DIAB Cn1c2ccccc2n2cc(C34CC5CC(CC(C5)C3)C4)nc12 4494613 UOGGITVWYMOWQM-UHFFFAOYSA-N 305.425 4.294 0 40 DIAB c1cc2c(cc1OC1CCCCC1)c1c3n2CCN[C@H]3CCC1 4794859 UNOCVRGWLFGNQA-SFHVURJKSA-N 310.441 4.333 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)NC12CC3CC(CC(C3)C1)C2 5677586 RVDJOXVKXSFFMR-IVKJLDKCSA-N 310.441 4.116 0 40 DIAB Cc1ccc2nc(S[C@H](C)C(=O)c3ccc(F)cc3)[nH]c2c1 6292191 COFIMMLINHYOEW-LLVKDONJSA-N 314.385 4.374 0 40 DIAB Cc1ccoc1C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 9054384 ZCMJHXKMNVATOK-OAHLLOKOSA-N 315.369 4.308 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1 9516559 ZVVYCOJQGJEFIU-CQSZACIVSA-N 316.832 4.251 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2[nH]1 10429227 JFMJVCJUADTAQX-UHFFFAOYSA-N 305.381 4.020 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1C 11636853 VYBTWINYGHPFES-SFHVURJKSA-N 313.397 4.108 0 40 DIAB O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCCC2 12528268 XDGKMYABMBEXCT-UHFFFAOYSA-N 302.377 4.366 0 40 DIAB CCCOc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 12920456 PKNXSIVLRXFYSB-SMDDNHRTSA-N 316.426 4.193 0 40 DIAB Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c2ccccc2n1 14186754 ZKUSXTRSALNNGP-HNAYVOBHSA-N 308.425 4.338 0 40 DIAB CCOc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 17515644 ZVWFWJAPLXOMGA-UHFFFAOYSA-N 308.353 4.172 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@H](C)C1 20043916 TWAOVGBQOWFCON-MAUKXSAKSA-N 311.425 4.256 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C1CCCCC1 24468661 JVWKKKPFCMUCJY-UHFFFAOYSA-N 308.425 4.462 0 40 DIAB NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 24889391 MRDFKCBCACNPSZ-CYBMUJFWSA-N 312.221 4.312 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(OC)c1 30850177 QJNOAIJZWKLQTC-HNNXBMFYSA-N 319.788 4.145 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1nncc2cc(Cl)ccc12 31637658 KGBVJBKYFNURLO-CYBMUJFWSA-N 320.868 4.206 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)s1 32930838 UFPOFZFDUAGCEX-ZDUSSCGKSA-N 303.427 4.335 0 40 DIAB C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(F)cc3)cc2C1 32967342 VTZZFPZMPYTARV-GFCCVEGCSA-N 317.429 4.284 0 40 DIAB COc1ccc(Br)cc1NC(=O)c1cccc(C)c1 48444649 ZSRXVYLIFMZVHS-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CCCCO[C@H](C)C(=O)Nc1nc2ccc(CC)cc2s1 62581902 WWSWPPTWESAYTF-LLVKDONJSA-N 306.431 4.002 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1 72215193 UZFOCZRKEFAVNH-HIFRSBDPSA-N 319.449 4.046 0 40 DIAB Cc1sc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)nc1-c1ccccc1 102597451 WMELCSMTMPPVOB-AEGPPILISA-N 312.438 4.493 0 40 DIAB Cc1c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc2c(F)cccc12 105764115 XSHQCIDZIKURRF-UKTARXLSSA-N 315.388 4.435 0 40 DIAB COc1ccc2[nH]cc(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 199721228 BRDJNPILALNWAV-UHFFFAOYSA-N 319.282 4.426 0 40 DIAB CCCCOc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1 216958576 OLXCFRVIPXAJMX-UHFFFAOYSA-N 321.376 4.321 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccs1 223348745 ICPWYJBTKKLKSZ-CQSZACIVSA-N 301.455 4.163 0 40 DIAB CCC[C@H](C)NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224218202 HYBYHRIJMIZUDI-KSSFIOAISA-N 303.446 4.028 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCC(C)CC1 226254245 AOPLSIXQSBLBQQ-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB CCc1cc(N)cc(Br)c1N1C[C@@H](C)C[C@H](C)C1 226315408 UJLGQUAMOHWBOS-QWRGUYRKSA-N 311.267 4.076 0 40 DIAB CCCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616394 JXZRGYKHCKLWAV-UKRRQHHQSA-N 319.445 4.431 0 40 DIAB Fc1ccc(Cn2nc(-c3ccccc3Cl)nc2Cl)cc1 1559466534 MQSAGRLWWPZZIZ-UHFFFAOYSA-N 322.170 4.439 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 135976 GESKHJCISQFSJX-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB CC(C)N(C(=O)NC(=S)c1cccc2ccccc12)C(C)C 1093064 JJQXZUIFGNEWRN-UHFFFAOYSA-N 314.454 4.344 0 40 DIAB CCCCC[C@@H](C)NC[C@H](O)Cc1ccc(OCCCC)cc1 4721970 BEIBQSJRJBTTMQ-IEBWSBKVSA-N 321.505 4.327 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ncoc1-c1ccccc1F 5002003 KLFNXVHDQZBCTA-UHFFFAOYSA-N 322.339 4.222 0 40 DIAB COc1cc(NC(=S)Nc2ccccc2Cl)cc(OC)c1 6274831 HZNACCUYRPSWBP-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)no1 6761905 WMBBHEJDRPJERU-QWHCGFSZSA-N 318.804 4.368 0 40 DIAB c1coc(-c2cc(CSc3ncnc4ccccc34)no2)c1 7151866 UOPSRGSZJGAGEG-UHFFFAOYSA-N 309.350 4.170 0 40 DIAB C[C@@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 7486564 ZFNCUJWBOYSWEM-MRXNPFEDSA-N 324.424 4.292 0 40 DIAB O=C(Cc1ccc2ccccc2c1)NCc1ccccc1Cl 8034490 BUWZDNJWVSSVNR-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N(CC)C2CCCCC2)cc1 9846941 LIGSPPQDEKTMSZ-UHFFFAOYSA-N 316.445 4.220 0 40 DIAB Clc1cccc(CSc2nc(Cc3ccccc3)n[nH]2)c1 10475601 CXEQCVAGKBASTH-UHFFFAOYSA-N 315.829 4.341 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc2cccnc12 14517694 UUYWDZLGAHJDNL-UHFFFAOYSA-N 314.747 4.209 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1 20452409 CIDHPPHYRDKLNV-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB O=C(CCSc1ccccc1)Nc1cccc(-c2ccn[nH]2)c1 24894517 NPFBGDAJQKCPPG-UHFFFAOYSA-N 323.421 4.198 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C1 24987005 OEMSPEZQQRCNLN-OKILXGFUSA-N 319.404 4.016 0 40 DIAB COc1ccc([C@](O)(CCC(C)C)CCN2CCCCC2)cc1 27346661 OGYWOXUACVUXHL-FQEVSTJZSA-N 319.489 4.195 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1F 30853114 JAZWPQTUGLAJKB-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(F)c1 30865268 MKKGJMPTAFMWKV-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 32738374 AGYYSKFIXRWFLS-UHFFFAOYSA-N 310.372 4.293 0 40 DIAB Cc1c(C(=O)N2CCOC23CCCCC3)oc2ccc(F)cc12 35671075 QJIBVMCDRYIYGB-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB CC(C)[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccs1 39985628 LBMGVNQFGAZJOA-GOSISDBHSA-N 311.454 4.421 0 40 DIAB Cc1cc(C)c(NC(=O)NCCCOC2CCCCC2)c(C)c1 40024029 BPJSMAJXEYKSAM-UHFFFAOYSA-N 318.461 4.473 0 40 DIAB CN(C(=O)CSc1ccc(F)cc1)[C@@H]1CCc2ccccc21 40049953 XQZCJGYOPGGKJT-QGZVFWFLSA-N 315.413 4.064 0 40 DIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(Cl)ccn1 40081604 SJQJVWUSPAFJIE-UHFFFAOYSA-N 313.744 4.006 0 40 DIAB Clc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42772930 FCZDRDDIGFLXLG-LLVKDONJSA-N 318.642 4.014 0 40 DIAB COc1ccc(NC(=S)Nc2ccccc2Cl)cc1F 44194783 HJBXVRQDKPPWJO-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB OCc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 44676205 RHHDFUAKRUVQSO-UHFFFAOYSA-N 303.667 4.038 0 40 DIAB Cc1nc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)n1 60374540 PFSOIUDCWCLDMZ-UHFFFAOYSA-N 317.314 4.321 0 40 DIAB CC(C)c1nc(C(=O)N(C)c2nc3ccccc3s2)cs1 69419580 OLNUJWOZCZOSIW-UHFFFAOYSA-N 317.439 4.153 0 40 DIAB COc1ccccc1-c1cc(-c2ccccc2Cl)nc(N)n1 71977809 MUPJLOULYVUUHW-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB O=C(CN1C[C@H]2CCCC[C@@]21c1ccccc1)Nc1ccccc1 79103710 VWFOIORFOGTVHU-WIYYLYMNSA-N 320.436 4.026 0 40 DIAB Cc1noc([C@@H](C)NCc2cccc(Oc3ccccc3)c2)n1 84286496 OWXUDIOEDWIEMG-CYBMUJFWSA-N 309.369 4.021 0 40 DIAB O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc2c(c1)CCCC2 89780572 MDHCZKAHKVDHEH-UHFFFAOYSA-N 317.392 4.208 0 40 DIAB O=C(O)CC1(CC(=O)c2ccc(Cl)c(F)c2)CCCCC1 95634036 DUGXQDVONLICFI-UHFFFAOYSA-N 312.768 4.477 0 40 DIAB NC1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 222546740 YCCQIUYSFILRTF-AWEZNQCLSA-N 306.196 4.217 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c(C)c1 225025733 FMAQJENVHDFFEF-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225639601 QBKKYBWXRBZPHT-UHFFFAOYSA-N 305.418 4.009 0 40 DIAB Cc1cc(C)cc(NC(=O)c2snnc2-c2cccs2)c1 225787849 TUSZEGXAYDQHAA-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1397608 CKTVCXZZWVAHDP-OAHLLOKOSA-N 320.747 4.009 0 40 DIAB [O-][N+]1=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 1561994 OSAUDCINISZLBG-TZIWHRDSSA-N 315.372 4.456 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 2764872 FPPHEMKPHGJNHB-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4040486 NQUQIAYCNLKMTR-QETMQDACSA-N 316.441 4.265 0 40 DIAB biogenic Cc1c(Cl)cccc1NC(=O)c1cc2sccc2n1C 4971175 GJRSBSHXOJJXLV-UHFFFAOYSA-N 304.802 4.454 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nccn1C 5359360 BCAAUHQOEMKKLA-CHWSQXEVSA-N 317.458 4.053 0 40 DIAB O=C(Nc1cccc(Cl)c1Cl)c1cccnc1Cl 5670398 CXNAZHHJAZFREC-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB CC1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 6348513 KTILEYXMYQVNBS-UHFFFAOYSA-N 300.324 4.406 0 40 DIAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)NCC1CCCCC1 6652095 XGRPUSWWLPIRLF-ACCUITESSA-N 306.837 4.352 0 40 DIAB Cc1c(C(=O)N[C@@H](C)c2cccnc2)oc2c(Cl)cccc12 7987126 JBBLDIGGMTVGKT-NSHDSACASA-N 314.772 4.281 0 40 DIAB Cc1ccc(CSCC(=O)Nc2ccc(F)cc2F)cc1 8034162 JXKWTPYJMSOWDC-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 8208719 PEGCSEQCPRDSQX-UHFFFAOYSA-N 322.433 4.422 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccccc2)n1 8727327 HKMUCEKXHDDZJA-CZUORRHYSA-N 314.454 4.048 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)Cc2c[nH]c3ccccc23)C1 8764225 ZZVHFDYCBPKARA-YWZLYKJASA-N 310.441 4.138 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1ccccc1 9895584 WXUMEIAFWFFHFM-MRXNPFEDSA-N 308.406 4.274 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C2 11424008 SRBPRNSZYYKREF-OAHLLOKOSA-N 321.804 4.443 0 40 DIAB Fc1ccc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)cc1F 12234080 MQGBMWJUPPIBFX-KRWDZBQOSA-N 313.351 4.178 0 40 DIAB Cc1ccccc1OCC(=O)N(C)Cc1ccc2ccccc2c1 12943293 WIZDZEAEQXWWMF-UHFFFAOYSA-N 319.404 4.186 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 13708787 BJMXSPSLMFQTAR-OAHLLOKOSA-N 317.388 4.196 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710534 LTHABFYCYOOBFD-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 13931189 OHBSOEGDEKOANB-CQSZACIVSA-N 314.454 4.360 0 40 DIAB Cc1ccc(F)cc1NCC(=O)Nc1ccc(C(C)C)cc1 15122812 HMSNIXAFCWIBIB-UHFFFAOYSA-N 300.377 4.308 0 40 DIAB CCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 20158370 LOSVKIYDWRFAOY-UHFFFAOYSA-N 312.394 4.408 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1C 20481362 OBQIENVOQIXORQ-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB Cc1cn2nc(N[C@H](C)c3cccc4ccccc34)sc2n1 28069163 MDRHXSTVRKDPRM-GFCCVEGCSA-N 308.410 4.426 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1OC(F)F 29137621 GMPDWYSBXBWHLF-XZHRJIJLSA-N 317.335 4.179 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 40088682 YLMDNBKRZMTXCV-CABZTGNLSA-N 323.849 4.073 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1cccs1 48646007 YYXMHSUOENYYEU-ZDUSSCGKSA-N 306.456 4.029 0 40 DIAB O=C(O)c1ccccc1Nc1ccc(Cc2ccncc2)cc1 55104263 DVLIMJZFRUNGBQ-UHFFFAOYSA-N 304.349 4.114 0 40 DIAB O=C(/C=C/c1ccccn1)Nc1ccccc1OC1CCCC1 55444344 NNTVNERXIHNABT-OUKQBFOZSA-N 308.381 4.055 0 40 DIAB Cc1cc(-c2csc(Cc3ncc(Cl)n3C)n2)c(C)s1 63630678 HIXFVDJZSNKHDD-UHFFFAOYSA-N 323.874 4.466 0 40 DIAB O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc2c(c1)COC2 64489772 OUIFPYZXRLDXPD-UHFFFAOYSA-N 316.360 4.031 0 40 DIAB Fc1ccc(-c2cnc(CN3CCC[C@H]3c3ccc[nH]3)o2)cc1 69144576 DDNJUPBENXIPFT-INIZCTEOSA-N 311.360 4.146 0 40 DIAB O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc2ccccc2n1 69562030 IFRQQYJQRKCUBY-KRWDZBQOSA-N 322.795 4.306 0 40 DIAB CCCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229834 KHSKSCDHJXWERX-KRWDZBQOSA-N 303.789 4.160 0 40 DIAB C[C@H](OC(=O)c1ccccc1)c1nc2cc(Cl)ccc2n1C 75104068 IQLTUHPVTNOJTP-NSHDSACASA-N 314.772 4.145 0 40 DIAB Clc1ncnc2c1cnn2-c1ccc(-c2ccccc2)cc1 85398032 QWMLKIXFLVGQLR-UHFFFAOYSA-N 306.756 4.136 0 40 DIAB COc1ccc(CCC(=O)O[C@H](C(C)(C)C)C(F)(F)F)cc1 89621485 YBSIABPFYKWDKK-CQSZACIVSA-N 318.335 4.148 0 40 DIAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 90677573 LDLXKVUCPJXHNF-ZWKOTPCHSA-N 308.377 4.427 0 40 DIAB CN(C)Cc1nc(Cl)c2c(-c3ccccc3)csc2n1 95202005 PTDBGXVJPZIESI-UHFFFAOYSA-N 303.818 4.073 0 40 DIAB in-vitro Cc1nc2ccccc2nc1CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 95356508 ODBXLKDHBXNKCO-NBQZKYEYSA-N 309.457 4.339 0 40 DIAB CCC(=O)N1CCC(N[C@@H](CC(C)C)c2ccccc2C)CC1 95422359 NZFQSETVNRYJDM-IBGZPJMESA-N 316.489 4.073 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCSc1ccc(Cl)cc1 105703539 JOHFZOYVWPADRV-IHRRRGAJSA-N 323.889 4.375 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@H](C)C1 225664863 LYSZVPDIPQWZFQ-IFXJQAMLSA-N 319.445 4.318 0 40 DIAB CCc1nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2n1C 225896243 PLADCIUGXVVZFQ-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB Oc1nc2ccccc2c(-c2ccccc2)c1Br 253536048 FOTLHWFHEDHYTP-UHFFFAOYSA-N 300.155 4.370 0 40 DIAB Cc1ccccc1C(=O)NC[C@H](c1ccco1)c1cccs1 585146845 ZEGXVZLQCLBRRW-OAHLLOKOSA-N 311.406 4.211 0 40 DIAB COc1ccccc1OC(F)(F)C(F)(F)c1ccccc1 1083809831 QEYNXXQPUXEJCD-UHFFFAOYSA-N 300.251 4.459 0 40 DIAB O=c1[nH]c(-c2ccccc2Cl)nc2sc3c(c12)CCCC3 109343 XJKNGVPFAHZGGO-UHFFFAOYSA-N 316.813 4.184 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1OC 149727 DFHJXGXJMJNFSV-JXMROGBWSA-N 317.772 4.009 0 40 DIAB COc1ccccc1/C=C/C(=O)Oc1ccc(Cl)c(C)c1 149744 NODSANBQMROWAU-JXMROGBWSA-N 302.757 4.276 0 40 DIAB O=C(CCn1c(=S)oc2ccccc21)Nc1ccc(F)cc1 223764 HMDDULRXDXWGEQ-UHFFFAOYSA-N 316.357 4.132 0 40 DIAB CC(C)NC(=O)c1ccc(-c2nc3ccccc3s2)s1 533955 JOUDTJRBGWOBSN-UHFFFAOYSA-N 302.424 4.163 0 40 DIAB COc1ccc(CNCC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 2206391 BKIXVSLKBOMXIY-FQEVSTJZSA-N 319.489 4.406 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 3303625 SCDBWROCPZMOJV-MFKMUULPSA-N 314.401 4.153 0 40 DIAB O=C(Cc1ccsc1)Nc1cc(Cl)ccc1N1CCCC1 3359666 LSFXOOHPBFRHPQ-UHFFFAOYSA-N 320.845 4.183 0 40 DIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1 3515821 UBQHDBIWGUCNSF-ZDUSSCGKSA-N 324.405 4.409 0 40 DIAB Cc1cnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 6452221 BHZZQZJGWFVYCP-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB CSc1ccccc1NC(=O)c1ccc(N2CCCC2)cc1 7383023 GREHURZIFVLQCT-UHFFFAOYSA-N 312.438 4.261 0 40 DIAB C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 7540870 PLXUGOTXTJMHGW-MRXNPFEDSA-N 321.420 4.332 0 40 DIAB Cc1ccc(C)c([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 7785789 BLFUDQBPMQQOBE-ROUUACIJSA-N 304.397 4.041 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)NC1CCCCCCC1 8478223 GZQDPIVVMMCJRN-INIZCTEOSA-N 319.445 4.082 0 40 DIAB CC(C)CCOc1ccc(C(=O)NCc2cccs2)cc1 8561154 DOYADSPFFBTTOS-UHFFFAOYSA-N 303.427 4.103 0 40 DIAB CCC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C)c1ccccc1 9217987 NSKDBIAUYCFUDG-VQIMIIECSA-N 310.441 4.453 0 40 DIAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1F 9479422 NTUFBXULHWWKHL-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB CCCCC[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O 12496457 CQSLTKIXAJTQGA-BTDPBSJTSA-N 314.466 4.050 0 40 DIAB endogenous,in-man CC[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12815922 NUXZWLRQTKRDQQ-LSDHHAIUSA-N 324.424 4.162 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12 12895341 BQKLEOBMFAGUJC-INIZCTEOSA-N 320.436 4.238 0 40 DIAB biogenic C[C@H]1Oc2c3c(c4ccc(=O)oc4c2C1(C)C)OC(C)(C)C=C3 13398312 AOIFNIMKVOPLGP-SNVBAGLBSA-N 312.365 4.036 0 40 DIAB biogenic,in-vitro Cc1ccc(-c2nc(CC(=O)OCc3ccccc3)cs2)cc1 14180748 PFYUQULLXHQKLD-UHFFFAOYSA-N 323.417 4.404 0 40 DIAB Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)c(C)o1 16722208 ZLNCEFSNPAVPGY-UHFFFAOYSA-N 305.403 4.048 0 40 DIAB O=C(NCc1ccccn1)c1cc2sc3ccccc3c2s1 17167932 IEQWDBZKOLGXQO-UHFFFAOYSA-N 324.430 4.441 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 20492568 SUGPDXFJUGFOHO-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB COc1cccc2cc(/C=C/C(=O)OC3CCCCC3)oc12 22374609 GBCHNBKCERJQFG-ZHACJKMWSA-N 300.354 4.331 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 24040849 YSMUHYUIUAAPDV-OALUTQOASA-N 311.425 4.420 0 40 DIAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N(C)Cc1cccs1 24601128 CGLSJSUMSKZTJO-LLVKDONJSA-N 317.389 4.130 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@H](C)c2ccccc2OC(F)F)c1 25297294 LEXRPFNOSFQCSR-CYBMUJFWSA-N 319.351 4.396 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2cccnc12 31095440 IRTYAKYIGJYQMT-CYBMUJFWSA-N 324.355 4.088 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)c1ccncc1 32978340 FUBGZXUHDJYGPX-MRXNPFEDSA-N 316.404 4.163 0 40 DIAB Cc1nn(C)c2ncc(N[C@H](C)c3ccccc3Cl)cc12 37084740 PQCHMMSSLNTOGY-SNVBAGLBSA-N 300.793 4.103 0 40 DIAB O=C(Nc1ccccc1O)c1cccnc1SC1CCCC1 40156616 STTITGIZTSMLAO-UHFFFAOYSA-N 314.410 4.074 0 40 DIAB CCOc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 43146001 AIORSRXYPRGOMG-LLVKDONJSA-N 320.339 4.246 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccccc1 44839604 ZHSQWZBDCLHETN-GUYCJALGSA-N 317.816 4.375 0 40 DIAB CCOc1ccccc1C[S@](=O)[C@@H](C)c1ccccc1F 69703120 VDHXROYGDFSVBE-YEJXKQKISA-N 306.402 4.234 0 40 DIAB CN(CC(=O)N(C1=CCCCC1)C1CC1)[C@H]1CCc2ccccc21 71794782 MOBUFUJHUCTYCK-FQEVSTJZSA-N 324.468 4.055 0 40 DIAB CC(=O)N1CCC[C@@H]1c1cccc(-c2ccc(Cl)cc2)n1 72355791 NGMFFGJXCRPVIV-QGZVFWFLSA-N 300.789 4.085 0 40 DIAB CN(CCc1ccccc1)Cc1c(C2CC2)[nH]c2ncccc12 72393373 XRRCMESMJQDRJY-UHFFFAOYSA-N 305.425 4.115 0 40 DIAB COc1cccc(OC)c1C(=O)c1ccc(OC(C)(C)C)cc1 95916090 PONJKJUHMPNXAF-UHFFFAOYSA-N 314.381 4.112 0 40 DIAB Cc1cccc(CCCNC(=O)CCc2ccc(C)c(C)c2)c1 225424627 KEUOAAFWQCYLJE-UHFFFAOYSA-N 309.453 4.293 0 40 DIAB Cc1cc(Cl)ccc1Nc1ccc(C(=O)NC(C)C)cc1N 225426137 FVMAGFQRPOGASR-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CCCSc1nnc(NC(=S)Nc2ccc(C)cc2)s1 225456719 WWRFESLEXLHGHF-UHFFFAOYSA-N 324.500 4.158 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1 225467671 FKNNPWJPOUDLIU-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)CCCC2 225634625 NYKNQZQTWLXJQR-UHFFFAOYSA-N 313.828 4.491 0 40 DIAB S=C(SCc1cc(Cl)nc(Cl)c1)N1CCCCC1 163053 OOLMOMAMQDGFLP-UHFFFAOYSA-N 321.298 4.392 0 40 DIAB O=C(c1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 424226 HBCSDGCFVQHFAP-UHFFFAOYSA-N 319.143 4.331 0 40 DIAB CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 557986 UCZNWBLRBDINBC-UHFFFAOYSA-N 300.324 4.044 0 40 DIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1C 1001780 RPVNCJVOWWMCTG-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB COc1cc2ncnc(Nc3ccccc3Cl)c2cc1OC 1386778 XGDAPLSUTGJWAA-UHFFFAOYSA-N 315.760 4.044 0 40 DIAB O=c1c2ccc(F)cc2sn1-c1cc(Cl)cc(Cl)c1 1430599 AYICMXMKRHOVKC-UHFFFAOYSA-N 314.168 4.498 0 40 DIAB O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc(F)c1 3072067 GEWXOOQJHKKJHZ-ZROIWOOFSA-N 315.394 4.232 0 40 DIAB Cc1nc(-c2ccc(-n3nncc3-c3ccccc3)cc2)cs1 3223839 UOUVKAGHYTVEHG-UHFFFAOYSA-N 318.405 4.366 0 40 DIAB CC(=O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)CC2 3844781 HWQKTPGCLSZTHV-HNNXBMFYSA-N 321.420 4.190 0 40 DIAB biogenic CN(C)c1ccc(CC[C@@H]2CCc3ccccc3N2N=O)cc1 3845705 PWIWUZACDYZCFC-GOSISDBHSA-N 309.413 4.188 0 40 DIAB biogenic CC(C)OC(=O)c1cc(NC(=S)OC(C)C)ccc1Cl 3870524 AXTNFJKQZPETJA-UHFFFAOYSA-N 315.822 4.027 0 40 DIAB investigational O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 5414254 JEPMFTHJOIMUBS-QXMHVHEDSA-N 305.333 4.403 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 6651718 NBDGPSQCPLEUES-IHWZXDPASA-N 303.471 4.391 0 40 DIAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2)ccc1OC 7651949 GOLNVUGIACDIHM-XYOKQWHBSA-N 311.381 4.054 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1Cl 8041823 MEEFMTHPCIGRAD-AWEZNQCLSA-N 319.788 4.145 0 40 DIAB CCc1nnc(NC(=O)c2sccc2-c2ccccc2)s1 8751116 LSXVWQPVKWLFMW-UHFFFAOYSA-N 315.423 4.081 0 40 DIAB CCSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C(C)(C)C)CC3 8767472 FSHMWYHVMXPYGS-SECBINFHSA-N 322.499 4.248 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC(C)=O)cc1 9553713 GIJDGVHYZXKQSZ-CYBMUJFWSA-N 311.381 4.378 0 40 DIAB CCN(c1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1)C(C)C 12520805 VIFSPEVNNFRUON-UHFFFAOYSA-N 322.412 4.050 0 40 DIAB CCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12556253 UBKYBFQHIYMBFD-UHFFFAOYSA-N 323.421 4.350 0 40 DIAB C[C@H](NC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 12567726 NFMIZZSFBIYZRD-KMYSJOAASA-N 312.457 4.263 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1F 12886774 IHYSKOKHYNQPHQ-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB O=C(c1cc(Cl)c[nH]1)N(Cc1ccco1)Cc1cccs1 24460982 OABNSACDXJAQSC-UHFFFAOYSA-N 320.801 4.165 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1ccccc1Cl 25374584 JXBLTDTZSHUYFD-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB Cc1cccc(Cn2cc(NC(=O)Nc3cccc(C)c3)cn2)c1 28579741 YYZUVGDTZHSQHQ-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB O=C(CSc1nncs1)c1ccc2c(c1)-c1ccccc1C2 28802785 RJEURKVDGFHQGE-UHFFFAOYSA-N 324.430 4.084 0 40 DIAB CCc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 32833213 BFPFYXBFSJIVJY-UHFFFAOYSA-N 310.328 4.295 0 40 DIAB CCSc1ccccc1NC(=O)COc1cc(C)cc(C)c1 38756816 NVQINZLQRZWCIS-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB O=C(c1cc2c(F)cccc2s1)N1CCOc2ccccc21 40090302 PUJGZNVIEFIFPN-UHFFFAOYSA-N 313.353 4.080 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N2CCCCCC2)cc(C)c1Cl 40913157 WHDHODTUXUBFBB-CQSZACIVSA-N 309.837 4.127 0 40 DIAB C[C@H](Sc1nccn1C1CC1)c1nc(-c2ccccc2)no1 54783672 LUHDYQSSTDREFI-NSHDSACASA-N 312.398 4.121 0 40 DIAB C[C@H]1CCc2ccccc2N1Cc1nc(Cc2ccccc2)no1 58016621 DSYCTDYOKKRFBF-HNNXBMFYSA-N 319.408 4.002 0 40 DIAB O=C(Nc1ccc(F)cc1)N(Cc1ccco1)C1CCCC1 58161696 OKQPCBUEBUAEFZ-UHFFFAOYSA-N 302.349 4.395 0 40 DIAB Cc1ccccc1COc1nc(-c2ccccc2Cl)no1 60350515 XQXJIPRPTMQKNJ-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB Oc1c(Br)ccc2ccc(Br)cc12 71477603 JBJOIRBOHOFRGC-UHFFFAOYSA-N 301.965 4.070 0 40 DIAB Cc1cc(C)c2oc(-c3cncc(Br)c3)nc2c1 73636059 OQTGCEACAROFJY-UHFFFAOYSA-N 303.159 4.269 0 40 DIAB Cc1ccc(CN(Cc2ccc(C)cc2)C[C@H]2CCCN2)cc1 79438580 MXEFANNNRNAKGE-OAQYLSRUSA-N 308.469 4.058 0 40 DIAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@H]2C[C@H]1CCCC[C@@]13O4 100601164 GMYSGDXPXKUMOX-OUIJSLBESA-N 318.457 4.131 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102789421 ASXIXCMTCZKFRD-QRVBRYPASA-N 315.457 4.054 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc2ccccc2c1 222815563 QXWCWBVBHWLBDS-HXUWFJFHSA-N 319.404 4.314 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223212648 DUTPLQYTMLZYHP-LRDDRELGSA-N 307.409 4.116 0 40 DIAB CCCC[C@H](CC)CNC(=O)CSCc1ccc(OC)cc1 223431944 JBJPMUIFBAUOTN-HNNXBMFYSA-N 323.502 4.261 0 40 DIAB COC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCCC1 225627871 PAOMBWTYPWTQGT-UHFFFAOYSA-N 305.418 4.009 0 40 DIAB Cc1cc(N)cc(Cl)c1NC(=O)Cc1ccc(Cl)cc1 226755898 QHSZVVKYQAOVTM-UHFFFAOYSA-N 309.196 4.065 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2ccsc2)o1 575610065 JUKIVVMQNOOILE-RMKNXTFCSA-N 309.390 4.338 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)CSc2ccccn2)cc1 44038 VYFRWIVTJWMADJ-CYBMUJFWSA-N 300.427 4.326 0 40 DIAB O=C(Oc1ccccc1Cl)c1ccccc1Br 70812 QEESBEFHLYSGQP-UHFFFAOYSA-N 311.562 4.322 0 40 DIAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1ccccc1 361804 LIDDQKAMUXHIQD-UHFFFAOYSA-N 318.328 4.125 0 40 DIAB c1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1 441602 VTJDAALCLRKSIX-UHFFFAOYSA-N 304.397 4.436 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 512851 YDACQCBCDJNTAC-UHFFFAOYSA-N 310.397 4.150 0 40 DIAB CCCCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 2073568 BVGKZVRQUOWPAV-UHFFFAOYSA-N 324.852 4.245 0 40 DIAB Cc1ccccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 2122824 WMUGYYWUQJPSID-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic CCOc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 2619793 WCEBTFOTLCKFHL-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C2CCCCCN12 3216664 VFIJEQVGUQXHMF-MDWZMJQESA-N 309.196 4.149 0 40 DIAB O=c1oc(/C=C/c2ccco2)nc2sc3c(c12)CCCCC3 4121856 ZNNZGJIDTGVHNZ-CMDGGOBGSA-N 313.378 4.282 0 40 DIAB CC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccco3)=NN21 5577281 ITDQTULRCVVUHP-XJKSGUPXSA-N 302.761 4.213 0 40 DIAB CC[C@H](OC[C@@H](O)CN(CC)C1CCCCC1)c1ccccc1 6355961 DWZLRCJCECLENB-PMACEKPBSA-N 319.489 4.170 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)Nc1nc2ccccc2[nH]1 6506980 QLTUZNUJEPVHMH-UHFFFAOYSA-N 320.179 4.051 0 40 DIAB O=C(C[C@@H](c1ccccc1)N1CCCCC1)OCc1ccccc1 6580099 PWMHOMZHKCPYAJ-FQEVSTJZSA-N 323.436 4.347 0 40 DIAB Cc1ccc(OCc2nnc(Sc3ccc(C)cc3)o2)cc1 6923305 RLKZPYHVAKNYOX-UHFFFAOYSA-N 312.394 4.417 0 40 DIAB C[C@H](O)c1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1 7540865 PLXUGOTXTJMHGW-INIZCTEOSA-N 321.420 4.332 0 40 DIAB O=C(OCc1ccccc1)c1ncc(Cl)c(Cl)c1Cl 7777224 DHQLQNVNDSQZTQ-UHFFFAOYSA-N 316.571 4.399 0 40 DIAB Cc1nc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cs1 8750506 HKVSEISTJXRVGS-HWKANZROSA-N 313.209 4.410 0 40 DIAB Cc1ccccc1CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 11287758 OZUFEPICEVXWQB-IBGZPJMESA-N 323.436 4.493 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1cccs1 12783864 OVKBJCFTWOJPBR-NEPJUHHUSA-N 323.845 4.355 0 40 DIAB c1ccc(/N=c2\snc3scc(-c4ccccc4)n23)cc1 18024625 UCOCJRGGKDWTKJ-ICFOKQHNSA-N 309.419 4.357 0 40 DIAB O=C1CCCc2nc3ccccc3c(NCc3ccccc3)c21 18149286 JMKIIRWHVISOBM-UHFFFAOYSA-N 302.377 4.366 0 40 DIAB in-vitro Cc1cc(CN(C)Cc2ccccc2Oc2ccccc2)n[nH]1 19658818 BLOWXYUOUGLZST-UHFFFAOYSA-N 307.397 4.142 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 30866787 NGWBBTLNAZPBCW-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CN(Cc1ccco1)C(=O)c1ccccc1CCc1ccccc1 32976327 JKMWGYOPNWGHIE-UHFFFAOYSA-N 319.404 4.337 0 40 DIAB Cc1nnc2sc(-c3cc(Cl)c(Cl)c(Cl)c3)nn12 45920139 PQHJSQUFPFLLCN-UHFFFAOYSA-N 319.604 4.121 0 40 DIAB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)c3ccccc3)cc2c1 48314177 CNQKUNOUYUAROO-AWEZNQCLSA-N 304.393 4.343 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1c(F)cccc1F 49549191 LFRYTJCNXXRXEB-SECBINFHSA-N 305.328 4.040 0 40 DIAB Cc1occc1C(=O)O[C@@H](c1ccncc1)c1ccc(F)cc1 60380763 ANNOQJAJAWNTIN-QGZVFWFLSA-N 311.312 4.069 0 40 DIAB CCCC(C)(C)NC(=O)c1sc(-c2ccccc2)nc1C 65042145 NNQHFNKZSULWQZ-UHFFFAOYSA-N 302.443 4.427 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(SC)c2)cc1F 71325886 CHRCLTPHXHCKSZ-UHFFFAOYSA-N 322.430 4.365 0 40 DIAB CC(C)[C@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 78909034 GHHCFQOMVAIPOD-QWRGUYRKSA-N 308.365 4.226 0 40 DIAB CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cnccn1 84625276 CWSSBGUHVWVCBO-CMDGGOBGSA-N 309.413 4.375 0 40 DIAB CCN(C)[C@@H](C(=O)Nc1ccc(F)cc1Cl)c1ccccc1 89960840 GDODYCZCRBYHMQ-MRXNPFEDSA-N 320.795 4.111 0 40 DIAB CC[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1ccccc1Br 101665435 LOYGNZRXGUBQLO-MJVIPROJSA-N 322.246 4.063 0 40 DIAB O=C(c1ccc(Br)cc1)c1coc2cc(O)ccc12 218708878 JBGVHARBLKZUCT-UHFFFAOYSA-N 317.138 4.132 0 40 DIAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219274627 DSXUWZQDBDIIKF-SFHVURJKSA-N 323.436 4.265 0 40 DIAB CC[C@H](NC(=O)COc1ccccc1F)c1ccc(C)c(C)c1 222778312 KLTGGSFEMAJBAJ-KRWDZBQOSA-N 315.388 4.089 0 40 DIAB COc1cc(C)c([C@@H](C)NC(=O)c2ccco2)cc1C(C)C 223272857 KPODQZPHPKPCPD-CYBMUJFWSA-N 301.386 4.211 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)cc1 225762664 GVZILAKFWWDAGS-AMBYYYRHSA-N 323.436 4.121 0 40 DIAB Cc1ccc(Cl)cc1-n1ncc2c(Cl)nc(Cl)nc21 228945502 WXXPRPIFPGJFFY-UHFFFAOYSA-N 313.575 4.084 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 127491 WFUPSQLVJUNXKH-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB CN(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 379975 CNQAIZXAZZXNJB-UHFFFAOYSA-N 319.857 4.481 0 40 DIAB Fc1cccc(Cl)c1Cc1nc(-c2c(F)cccc2F)no1 426173 IAJFGPPFYDLBQX-UHFFFAOYSA-N 324.689 4.398 0 40 DIAB CCCSc1nc2ccccc2c(=O)n1-c1ccccc1C 2294439 YNPWOHCAOUMTOT-UHFFFAOYSA-N 310.422 4.196 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 3443690 NGEAZEWHQRUQDG-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C 3581304 JQODGASJSGXYFC-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB COc1cc(OC)c([C@H]2C=C(C)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 4114341 ZMFODHOIRRPETD-ZNMIVQPWSA-N 302.414 4.418 0 40 DIAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1 5297560 JPGCWJFWERDYAF-NSHDSACASA-N 320.483 4.101 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 6852738 QAUXTLSTIJIAJC-NWJSVONSSA-N 309.862 4.125 0 40 DIAB CC(=O)c1cn([C@H](C)C(=O)Nc2ccccc2F)c2ccccc12 6958080 RNYJYSYHEAOVHM-GFCCVEGCSA-N 324.355 4.183 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc2c(O)cccc12 7519919 LSAAWOVDWYGGFQ-WFASDCNBSA-N 314.454 4.411 0 40 DIAB CC1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 7668554 XPAXFMIKBLRXSY-UHFFFAOYSA-N 309.409 4.138 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 7935367 UQZUDZNDQJFZKQ-JTQLQIEISA-N 323.364 4.093 0 40 DIAB C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccn1 8746870 VLTCRHADLZCIQL-CQSZACIVSA-N 314.388 4.144 0 40 DIAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccco1 12274736 SYLJDUUTQQDLHE-UHFFFAOYSA-N 315.756 4.431 0 40 DIAB CC(C)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12728666 BLYRKOYLKFASKD-OAHLLOKOSA-N 324.424 4.162 0 40 DIAB Cc1noc(C)c1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 12819841 JNBKRSWGIHTSHS-UHFFFAOYSA-N 320.805 4.022 0 40 DIAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2c1C 12890229 RGQXBRAQPIBILK-GOSISDBHSA-N 304.393 4.202 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 13140808 KKXZAIJLPBKAMB-ZDUSSCGKSA-N 320.392 4.294 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(Cl)cc1 13649123 WEFFWIGDPXKMCY-QWHCGFSZSA-N 315.800 4.085 0 40 DIAB Cc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)cc1C 14796297 PLDXDHQTCNEWGT-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)C1(C)C 16468831 DZGXTFBGNSHRAT-KGLIPLIRSA-N 309.356 4.465 0 40 DIAB C[C@H](NC(=O)c1cccc(F)c1)c1cccc(Br)c1 20029677 UMNFPKQETUCEJZ-JTQLQIEISA-N 322.177 4.079 0 40 DIAB CCc1ccc(CCC(=O)Nc2cccc3cccnc23)cc1 21653799 BYJXOGVSGZWMGR-UHFFFAOYSA-N 304.393 4.369 0 40 DIAB CCOc1c(Cl)cc(C(=S)N2CCCC2)cc1Cl 33782086 CEYAFYHMCZGSQF-UHFFFAOYSA-N 304.242 4.163 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1c2ccccc2C[C@@H]1C 38756828 CTWJWFAAGOLAEC-QFBILLFUSA-N 323.436 4.439 0 40 DIAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(C)cc3)cc2c1 67339513 CHASJJBSPPYPKH-CSKARUKUSA-N 307.349 4.402 0 40 DIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc(O)cc3)cc2c1 72396060 YFBUGCALEWXPNB-UHFFFAOYSA-N 322.408 4.143 0 40 DIAB Cc1csc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 78988933 QUXSLBWCSHYIIS-AWEZNQCLSA-N 309.438 4.364 0 40 DIAB CC(=O)c1cn(-c2cc(N)cc(C(F)(F)F)c2)c2ccccc12 199735503 IXPDEWYCEIUWFT-UHFFFAOYSA-N 318.298 4.434 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1CC 224418230 AVBGSJMGGPNJBI-HZPDHXFCSA-N 305.462 4.349 0 40 DIAB Nc1ccc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250444 NLKPYZOTZUOFSH-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O 34072 MFJVYXLNZAGCGM-LBPRGKRZSA-N 324.405 4.309 0 40 DIAB CCOc1ccccc1NC(=O)COc1cccc2ccccc12 383552 NKQPFEBAJGBYMK-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB CCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 560810 AVACLVJPUNNLBB-UHFFFAOYSA-N 320.392 4.181 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4cccc(C(F)(F)F)c4)[C@H]1CC[C@]23C 1448358 QUGPFRCQTQGUTC-ARLBYUKCSA-N 309.331 4.470 0 40 DIAB CCCCc1c(C)c2ccc(OCCC)c(C(C)=O)c2oc1=O 2180713 IUNOUPZMBYORQH-UHFFFAOYSA-N 316.397 4.435 0 40 DIAB O=C(Nc1nc(-c2ccccc2)cs1)c1c(F)cccc1F 3211912 OEPLRZUYSRZQNJ-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2s1 3233244 QHGRAOZSRLWGFT-VXGBXAGGSA-N 320.483 4.178 0 40 DIAB CSc1ncccc1C(=O)Nc1c(C)cc(C)cc1Cl 3330885 WFAQBDSYIULOMJ-UHFFFAOYSA-N 306.818 4.326 0 40 DIAB COc1ccccc1CNc1ncc(-c2ccc(C)c(C)c2)n1C 4678845 PNTNPBDIHZMYDX-UHFFFAOYSA-N 321.424 4.325 0 40 DIAB CC(C)[C@@H](C(=O)NCc1cccs1)c1ccc(Cl)cc1 5419140 PIRPBLJNSOUWDK-OAHLLOKOSA-N 307.846 4.458 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCCC[C@H]1C 5535775 QPDJWXQGYGXDEJ-CQSZACIVSA-N 309.837 4.208 0 40 DIAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)cc1 6982095 YJMFNWWMPNXCIT-SCLBCKFNSA-N 311.381 4.472 0 40 DIAB C[C@H](NC(=O)CCc1cccs1)C12CC3CC(CC(C3)C1)C2 7397903 LKJQFLVOBJBICI-IWUURBKTSA-N 317.498 4.402 0 40 DIAB Fc1cc(Br)ccc1OCc1nc2ccccc2o1 8222262 CVJCQDGDMVTVFO-UHFFFAOYSA-N 322.133 4.308 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl 8288064 PSEYWSIBDLEOAR-UHFFFAOYSA-N 307.802 4.312 0 40 DIAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 10038317 OXYVFRCKRJKTCZ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)c(F)c1 12886767 GMZNIJASPDDNPX-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(C)cc2)nc2c(C)cccn12 19898741 JBHSFNHOSUBTAM-UHFFFAOYSA-N 309.369 4.187 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 19931410 CCMWITCSIJMVPL-SUMWQHHRSA-N 317.816 4.375 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1C 20025614 UPLJVVFWZXYNKJ-UHFFFAOYSA-N 309.287 4.063 0 40 DIAB CC1=CC(=O)C[C@@H]2CC[C@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]12C 21992640 ANJQEDFWRSLVBR-DXFHCHAVSA-N 302.458 4.125 0 40 DIAB Fc1ccc(-n2nc(Cl)nc2-c2ccccc2Cl)cc1 22125837 HMGKNFIDBRDRGM-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB C/C=C/C=C/C(=O)N1CCc2sccc2[C@H]1c1ccccc1 25896631 ZOFIFQKRFUKTDW-NLBYTWITSA-N 309.434 4.355 0 40 DIAB CC(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27582731 DOWBWNNUHMWDAY-KRWDZBQOSA-N 322.880 4.029 0 40 DIAB Cc1cccc(NC(=O)N(C)CCCOc2ccc(F)cc2)c1 31098867 DCXYUOMVLKUYHJ-UHFFFAOYSA-N 316.376 4.067 0 40 DIAB COc1cc(C)ccc1Oc1ccc(NC(=O)C(C)(C)C)cn1 40090798 MLAQXVDKVZHQKJ-UHFFFAOYSA-N 314.385 4.176 0 40 DIAB C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 40103185 FOWWRRCYFWGCPE-JTQLQIEISA-N 324.302 4.310 0 40 DIAB C[C@H](c1ccncc1)N(C)C(=O)c1cc2c(F)cccc2s1 58216963 XEHOFWHPXUJULY-LLVKDONJSA-N 314.385 4.269 0 40 DIAB Cc1nc(NC(=O)Nc2cccc(OC3CCCC3)c2)oc1C 65787950 CTGXWAYDDSFZFX-UHFFFAOYSA-N 315.373 4.257 0 40 DIAB CCC(=O)N(CC)[C@@H](c1ccc(Cl)cc1)c1cccnc1 71903075 ADSJVFRMLDXRAD-KRWDZBQOSA-N 302.805 4.083 0 40 DIAB O=[S@@](Cc1csc(-c2ccco2)n1)CC1CCCCC1 78602608 KKHXHXHXUAHJSP-FQEVSTJZSA-N 309.456 4.232 0 40 DIAB CSc1ccsc1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 78796581 UQLLPVUCENLKNU-IUCAKERBSA-N 323.405 4.321 0 40 DIAB Cc1ccc(C)c(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 102202110 JDHMZUXCWVMJEG-HNAYVOBHSA-N 324.449 4.238 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 104495764 SKFGGLMDBKPZRC-DCMAVDSYSA-N 315.501 4.488 0 40 DIAB Fc1ccccc1Oc1ccc(I)cc1 116591497 GLYKGXTUVCSWOV-UHFFFAOYSA-N 314.097 4.223 0 40 DIAB CCc1ccccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225041052 WKQMUILTBQLLQU-HXUWFJFHSA-N 320.388 4.477 0 40 DIAB COc1ccc(C)cc1C[C@H](Sc1ccc(C)cc1)C(=O)O 225118877 MCAKEXRERWSYBH-KRWDZBQOSA-N 316.422 4.100 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@@H](C)C1 225664779 LYSZVPDIPQWZFQ-KUHUBIRLSA-N 319.445 4.318 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c(N)c1 226304267 OHUOVCPLBYGWOM-UHFFFAOYSA-N 318.376 4.040 0 40 DIAB O=C(NCCc1ccc(-c2ccoc2)s1)[C@H]1CC=CCC1 390831462 SAUCLOASZKJZMV-ZDUSSCGKSA-N 301.411 4.023 0 40 DIAB FC(F)(F)CNc1cccc(OCC(Cl)(Cl)Cl)c1 1083811709 HDHQHPNPGVYFJB-UHFFFAOYSA-N 322.541 4.410 0 40 DIAB O=C(NCc1cc(-c2ccoc2)cs1)c1cccc(F)c1 1775969509 AOAGJBMDDNXMKN-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB CN(C)CCCCCCCN(C)Cc1cc2ccccc2o1 2133789 BOJCQNRZLXDHLC-UHFFFAOYSA-N 302.462 4.377 0 40 DIAB biogenic CCc1ccc(NC(=O)c2ccccc2Br)cc1 3184329 OUXGAIHLHUOONA-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1 3293236 RHQJPKFUHMVKDK-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CCOc1ccccc1NC(=O)c1cc(C)nc2ccccc12 3347492 SYZYJHNGARISNJ-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB CCCCC(=O)Nc1cnc(NC(=O)C2CCCCC2)cc1C 4858092 BKDSKFRQWCMNLB-UHFFFAOYSA-N 317.433 4.038 0 40 DIAB COc1ccccc1-c1cnn2c(NCCC(C)C)cc(C)nc12 5348036 PUGXOKSUMSDNSZ-UHFFFAOYSA-N 324.428 4.171 0 40 DIAB CCN(CC)C(=S)SCC(=O)c1cccc2ccccc12 5470858 WYJLVALHZNORCS-UHFFFAOYSA-N 317.479 4.382 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccccc1Cc1ccccc1 5937948 FRPICOZMKPPUQX-UHFFFAOYSA-N 320.392 4.063 0 40 DIAB COc1cc2c(cc1OC)[C@@H](C1CCCCC1)NC(C)(C)C2 6393129 LWVHLUFONCPCLO-GOSISDBHSA-N 303.446 4.250 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 6651723 NBDGPSQCPLEUES-QLFDAEIZSA-N 303.471 4.391 0 40 DIAB Cc1cccc(C)c1NC(=S)N[C@@H]1CCOc2ccccc21 6784613 PHCASYKLAXSNOO-OAHLLOKOSA-N 312.438 4.114 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Cc2ccncc2)cc1 11555212 CYRXBNXWVLIHDR-IPMKNSEASA-N 320.436 4.437 0 40 DIAB COc1ccc(-c2cc(=O)oc3cc(OC)c(Cl)cc23)cc1 11865512 FQYSVDXKWNDDHX-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB biogenic Cc1ccc([C@@H](C)NC(=S)Nc2cccc(F)c2)cc1C 13930832 NZXAMIQYPKEHHF-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(Cl)c1 13994421 FQINDRSQSYWDGO-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB CC(C)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 20900698 FMUHGKXNYJEJFD-UHFFFAOYSA-N 305.381 4.248 0 40 DIAB COc1ccc(-c2csc(NCc3ccco3)n2)cc1F 23272980 OCDKIJGSMXRTSJ-UHFFFAOYSA-N 304.346 4.163 0 40 DIAB C[C@H](NC(=O)CSCc1ccccc1F)c1ccc(F)cc1 23411011 KXVZHFUUFFAPDS-LBPRGKRZSA-N 321.392 4.075 0 40 DIAB Cc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)sc1C 23683717 NVSWYTSEODDKJE-UHFFFAOYSA-N 318.442 4.075 0 40 DIAB CCc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1Cl 25396978 SZXBMFRUZUOBIV-ZDUSSCGKSA-N 316.832 4.192 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 30758799 ZXEWUXNCQWQYSV-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CCCCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1 32994324 YOZJATLQILHYCE-UHFFFAOYSA-N 313.397 4.151 0 40 DIAB C[C@H](Cc1cccs1)NC(=O)NCc1cccc2ccccc12 38489514 PRMDOVYXHHOSMQ-CQSZACIVSA-N 324.449 4.332 0 40 DIAB C[C@@H]1CCCN(c2nc(NC3CCCC3)c3ccccc3n2)C1 41152228 AUTDPMOLZJNOKP-CQSZACIVSA-N 310.445 4.221 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(C2OCCO2)c1 43212591 WWJJGBXGSJOPHZ-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB COc1cc(Br)c2oc(-c3cccc(F)c3)nc2c1 45920280 ZIIYYVWPIFXZPO-UHFFFAOYSA-N 322.133 4.405 0 40 DIAB COc1ccc(-c2nc(CSc3nc(C)c(C)o3)co2)cc1 46028276 HUEPHLMPBNEJPB-UHFFFAOYSA-N 316.382 4.247 0 40 DIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(C(C)C)cc1 72331747 AWDCRDLXFMDRPP-UHFFFAOYSA-N 317.816 4.402 0 40 DIAB Cc1cc(Br)ccc1C(=O)c1ccc(N(C)C)cc1 95916771 ZPPOAAXGNGDIOC-UHFFFAOYSA-N 318.214 4.055 0 40 DIAB O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951706 KRJQERWTNABLPQ-RZUBCFFCSA-N 319.448 4.414 0 40 DIAB biogenic CCn1ncc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c1C 102598117 WTJMKYLMMVVQNQ-NBLCHNQSSA-N 315.461 4.147 0 40 DIAB Cc1cccc(Cl)c1NC(=O)N[C@@H](C)c1cccc(O)c1 183751799 OKRUNHNUSBJPFC-NSHDSACASA-N 304.777 4.237 0 40 DIAB CCOc1cccc(NC(=O)CSCc2ccccc2F)c1 222707563 JBNGMKXETZGWGP-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB C[C@H](COc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 224651635 QAJWJMNEMCVDCZ-QGZVFWFLSA-N 323.436 4.082 0 40 DIAB CC1(C)COc2ccc([C@H](O)c3ccc(Cl)cc3)cc2OC1 225356514 HIPVHBZCYHHKBZ-QGZVFWFLSA-N 318.800 4.219 0 40 DIAB CCCOC(C)(C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225728453 LFCKXWZUUDIUEH-UHFFFAOYSA-N 321.461 4.482 0 40 DIAB C[C@H]1C[C@@H](C)CN(c2c(Cl)cc(N)cc2Br)C1 226316450 HNLIFNHYGILPBE-DTORHVGOSA-N 317.658 4.167 0 40 DIAB Cc1csc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)c1 257302769 SEHBTSUQGVBJLK-UHFFFAOYSA-N 320.483 4.015 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 409011457 GQBZUHSZJCMMOV-OTIXFSKASA-N 313.781 4.314 0 40 DIAB Cc1ccc2c(C)cc(N3CC[C@H](c4cccnc4)C3)nc2c1 566006449 DJOXSSWEFBNPBX-KRWDZBQOSA-N 303.409 4.241 0 40 DIAB CN(Cc1ccccc1-c1ccccc1)c1ncnc2[nH]ccc12 588898467 WDBMNVDZYDQRCQ-UHFFFAOYSA-N 314.392 4.261 0 40 DIAB COc1cc(N)c2nc(OCc3cccc(Cl)c3)ccc2c1 382950 ZRNDWLWBTIOHLK-UHFFFAOYSA-N 314.772 4.058 0 40 DIAB COc1ccccc1/C=C/C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 525703 YGLPYFAKQFPPQD-AFNCWWAVSA-N 313.441 4.136 0 40 DIAB CC(C)Sc1cc(Cl)nc(NC(=O)Nc2ccccc2)n1 1398299 NONIHUUIMOCSFI-UHFFFAOYSA-N 322.821 4.275 0 40 DIAB Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 3408846 RXGOVROXXAMPGX-UHFFFAOYSA-N 323.440 4.036 0 40 DIAB Cc1cccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 4138182 ODWNIYUAYBYTFG-UHFFFAOYSA-N 318.420 4.285 0 40 DIAB Cc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)no1 5034787 PMFBCIZUDOMYNP-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)cc1 6982097 YJMFNWWMPNXCIT-FZKQIMNGSA-N 311.381 4.472 0 40 DIAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1C 9365177 GWLMUIRHUFDROD-UHFFFAOYSA-N 300.305 4.031 0 40 DIAB Cc1cc(C)c2sc(NC(=O)CC3CCCCC3)nc2n1 11666318 HWIOHSGRQFKQLT-UHFFFAOYSA-N 303.431 4.217 0 40 DIAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1 12321987 LZDPBGUFZUZMGT-LJQANCHMSA-N 320.392 4.056 0 40 DIAB CC1CCC(NC(=O)c2ccc(COc3ccccc3)o2)CC1 12851010 QVIDZNYMAZCUGR-UHFFFAOYSA-N 313.397 4.167 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C 13109236 ILQLITDRYFHAGM-AHRSYUTCSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 13930836 AEPRDHCIIUCJKB-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1 20025356 GLMPFOLUEMCEII-GFCCVEGCSA-N 318.214 4.249 0 40 DIAB Cc1ccc(-c2nc(COc3cccc(Cl)c3)no2)cc1 25288207 BKVIWHHDHKCJIP-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB CCCn1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc2ccccc21 27923712 HNHBZKJQZMUGFJ-CVEARBPZSA-N 319.408 4.189 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 30751630 BOGLSBHDACABKY-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB O=C(NCCCSc1ccccc1)c1cc2ccccc2[nH]1 31550616 UWXYYJXYIDGLLH-UHFFFAOYSA-N 310.422 4.080 0 40 DIAB COc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 37377491 RBHIMMCRMMNZQZ-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CN(C(=O)CNc1ccc(SC(F)F)cc1)c1ccccc1 39987649 FQGQAUTYTWCFCT-UHFFFAOYSA-N 322.380 4.076 0 40 DIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 54313702 PIMXCCQZFNOFBR-UHFFFAOYSA-N 321.376 4.022 0 40 DIAB biogenic CCCCOc1ccc(/C=C/C(=O)OC(C)C)cc1OCC 62715289 RSAHWLNVKXWMAT-PKNBQFBNSA-N 306.402 4.229 0 40 DIAB O=C(CCC(F)(F)F)Nc1ccccc1CCC(F)(F)F 89813887 LCUVIHDYJYOFHD-UHFFFAOYSA-N 313.241 4.463 0 40 DIAB COCCSCc1cccc(NCc2sc(C)nc2C)c1 95429223 SAHDSKGHCKBZAX-UHFFFAOYSA-N 322.499 4.252 0 40 DIAB O[C@H](c1ccc(Br)cc1)c1cc(F)cc(Cl)c1 95730302 QBIUIIYYAVDGEF-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB O[C@H](c1ccccc1)c1cc2ccccc2nc1C(F)(F)F 96171863 JEIONYCATLJGIE-OAHLLOKOSA-N 303.283 4.335 0 40 DIAB Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1F 96479129 QZVPVJIFTPPAJL-STQMWFEESA-N 313.376 4.325 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C 96621657 HYAKBQPAPNGSFD-UHFFFAOYSA-N 322.452 4.475 0 40 DIAB CC[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 97151477 VBDILHRTXFYXOK-INIZCTEOSA-N 317.816 4.352 0 40 DIAB CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 105581267 RBUIRFMMOKXJSA-OAOQPFQOSA-N 301.430 4.087 0 40 DIAB Cc1cc(C)cc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225036843 IABQKUOSSRWPAG-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccco1 225624915 PUEMILSDKXMEBL-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB NC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236743 VFNSVNCAIRQDLC-UHFFFAOYSA-N 321.767 4.135 0 40 DIAB O=C(O)c1sc2c(F)ccc(Br)c2c1Cl 228941082 DJZGGQCRWHQJHC-UHFFFAOYSA-N 309.543 4.155 0 40 DIAB Cc1cc(N)cc(Br)c1N1CCc2ccccc21 252489571 JTYXIBZTWAQERP-UHFFFAOYSA-N 303.203 4.034 0 40 DIAB CO[C@H](CNC(=O)Nc1cccs1)c1cc2ccccc2o1 253472305 LHHGNZMEKLTSGO-CQSZACIVSA-N 316.382 4.004 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)cc1 363063 RZSSXFHJGBKGBG-GFCCVEGCSA-N 312.394 4.011 0 40 DIAB CCOc1cc(C=O)ccc1OCC12CC3CC(CC(C3)C1)C2 4207325 VXEULDKIQKAPHL-UHFFFAOYSA-N 314.425 4.493 0 40 DIAB O=C(COc1cc(Cl)ccc1Cl)NCC1CCCCC1 4316989 HDYJDMZHGHKTJB-UHFFFAOYSA-N 316.228 4.069 0 40 DIAB COc1cc(CNCc2ccccc2)ccc1OC1CCCC1 4657682 RIVUGUSOUXWSRF-UHFFFAOYSA-N 311.425 4.306 0 40 DIAB CCc1cccc2c(C(=O)COC(=O)c3cccc(C)c3)c[nH]c12 4846415 BGQWKIRQYRIJKN-UHFFFAOYSA-N 321.376 4.078 0 40 DIAB CC1(C)CN2C(c3ccccc3)=NN(c3ccccc3)[C@]2(C)C1 5741668 UTUGBGAZVZXPNP-HXUWFJFHSA-N 305.425 4.317 0 40 DIAB CCCn1c(NC(=O)c2ccccc2Cl)nc2ccccc21 6516447 YWAHTLLWMYKHET-UHFFFAOYSA-N 313.788 4.352 0 40 DIAB COCCn1c(Cc2cccc3ccccc23)nc2ccccc21 6564935 QBCQDRZPEADZNF-UHFFFAOYSA-N 316.404 4.427 0 40 DIAB Cc1cnc(NC(=O)CCCOc2ccc(Cl)cc2C)s1 6826087 YPGYAGPTEYOGEL-UHFFFAOYSA-N 324.833 4.211 0 40 DIAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(C)s3)o2)cc1 7180174 JCIIDVJMECXKHS-VIFPVBQESA-N 318.427 4.058 0 40 DIAB CCCCNCc1cccc(OC)c1OCc1ccccc1F 7261737 WSKSXRQYHBHKFY-UHFFFAOYSA-N 317.404 4.303 0 40 DIAB Cc1nc(NC2CCCC2)sc1C(=O)Nc1ccccc1 7843288 UWTPONPZYMSYBA-UHFFFAOYSA-N 301.415 4.058 0 40 DIAB COc1cccc(CNC2CC2)c1OCc1ccccc1Cl 8495563 GBNLEYFWTBRUJT-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB O=C(Nc1ccccc1N1CCCCC1)c1cc2ccccc2[nH]1 12528654 VTDFZNHPODKBJS-UHFFFAOYSA-N 319.408 4.411 0 40 DIAB Brc1cccc(CN2C=C[C@@H](c3ccccc3)O2)c1 12959697 YTKUIVXCANZHMN-INIZCTEOSA-N 316.198 4.451 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1cccc(OC2CCCC2)c1 13010790 UMURNERZSMKEEL-UHFFFAOYSA-N 313.372 4.328 0 40 DIAB Cc1cccc2sc(NC(=O)c3cc(F)ccc3F)nc12 13013298 NKUJQDKUCYPKMC-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCC1 13708426 CRZFBBFHQHDLJK-OAHLLOKOSA-N 311.425 4.446 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 15198972 YQKRJYRTFAFVRA-CQSZACIVSA-N 321.804 4.446 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 20133934 AOJKZOHYMUBWCJ-DHZHZOJOSA-N 302.757 4.105 0 40 DIAB Cc1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 23040593 ZVGXSMXGSLFYQK-UHFFFAOYSA-N 311.469 4.478 0 40 DIAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2ncc3ccccn23)c1 26371983 RLQVRFGPYYGSRX-CQSZACIVSA-N 310.422 4.315 0 40 DIAB CC[C@@H](NC(=O)CCCOc1ccc(C)cc1)c1ccccc1 30852667 WAJQKASSMVGZQQ-LJQANCHMSA-N 311.425 4.422 0 40 DIAB CC(C)C(=O)Nc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 32736272 QXRPADSVVGHOHW-UHFFFAOYSA-N 321.380 4.015 0 40 DIAB Cn1cc(C(=O)Nc2cccc3c2CCCC3)c2ccccc21 32738590 ZQBGXCBGYUZAQI-UHFFFAOYSA-N 304.393 4.309 0 40 DIAB Cc1ccc(NC(=O)c2cccc(OCc3cccs3)c2)nc1 32914188 VAKOPPYZZYEFIB-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 40525670 CAQHXCLVVAZHBJ-SNVBAGLBSA-N 320.742 4.455 0 40 DIAB COc1cccc(OC)c1-c1ccccc1C(=O)C(F)(F)F 43505045 ZBBDGJJVPYCBKB-UHFFFAOYSA-N 310.271 4.116 0 40 DIAB O[C@H]1Cc2ccccc2[C@H]1NCc1cccc(-c2ccccc2)c1 48301153 ADLUILVUJQYBDL-FCHUYYIVSA-N 315.416 4.102 0 40 DIAB c1ccc(CN2CCCC[C@H]2c2cccnc2NC2CC2)cc1 72213745 ABIDYRCQQLPPFL-IBGZPJMESA-N 307.441 4.383 0 40 DIAB COc1cccc(Cl)c1C(=O)Nc1ccc2ccccc2n1 72296577 AEVGMYKOBVUYTK-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3C)n3ncnc3N2)cc1 72332458 SRGVJYOKDWFXBV-MOPGFXCFSA-N 318.424 4.350 0 40 DIAB CCN(Cc1cccc(NCc2cccc3[nH]ccc23)c1)C(C)=O 78975357 PAWQJNZLRWJJSO-UHFFFAOYSA-N 321.424 4.148 0 40 DIAB Cc1cnc(CNc2ncnc3sc(-c4ccccc4)cc23)o1 80758934 XWBMUFXJYVFEGE-UHFFFAOYSA-N 322.393 4.267 0 40 DIAB Cc1cc(CS[C@@H](C)c2nc(-c3ccccc3)no2)on1 89608703 ZYIAEAIIQGAHNG-NSHDSACASA-N 301.371 4.027 0 40 DIAB CCC(=O)N1CCC(N[C@H](CC(C)C)c2ccccc2C)CC1 95422360 NZFQSETVNRYJDM-LJQANCHMSA-N 316.489 4.073 0 40 DIAB CCOc1c(OC)cc(CN(C)c2cccc(C)c2)cc1OC 96003671 DSFZHWATQRBMHN-UHFFFAOYSA-N 315.413 4.047 0 40 DIAB O=C(c1ccccc1)C(C(=O)c1ccccc1)c1ccccc1O 100473443 XOUNKCHVMDOXLK-UHFFFAOYSA-N 316.356 4.242 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(C)cc1 222570004 SITJRGMYMVCCCH-SFHVURJKSA-N 311.425 4.122 0 40 DIAB COc1ccc(CCC(=O)NC2CCCCCCC2)cc1C 223728553 LAIZNUGWNMPNNY-UHFFFAOYSA-N 303.446 4.165 0 40 DIAB Cc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1C 225574295 AFWYBTPZWIPWLB-FQEVSTJZSA-N 307.437 4.430 0 40 DIAB COC(=O)C(C)(C)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260616353 JBWHXOUSMBMVBJ-LLVKDONJSA-N 309.837 4.384 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)cc3)N21 260759306 FYSQPHAGNOBMOX-NJAFHUGGSA-N 323.465 4.369 0 40 DIAB Cc1cccnc1NC(=O)CSc1cccc2ccccc12 409176968 CREZMIDMNCDJCC-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Cc1cc(C)c(C(N)=O)c(Nc2ccc(-c3ccccc3)cc2)n1 351885 PGCZYHFUECRWIE-UHFFFAOYSA-N 317.392 4.208 0 40 DIAB Cc1cccc2nc(-c3ccc(O)cc3)c(NCCC(C)C)n12 417140 CBKHDIRVGGQXAA-UHFFFAOYSA-N 309.413 4.473 0 40 DIAB CC(C)(C)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 536573 HBWSXWRFMUSIQF-UHFFFAOYSA-N 322.360 4.412 0 40 DIAB biogenic CCc1cc(CC)c(C(=O)OCCN2CCCCC2)c(CC)c1 1646544 RHYQHMFEJXACMQ-UHFFFAOYSA-N 317.473 4.017 0 40 DIAB O[C@]1(c2ccccc2)C[C@H](c2ccccc2)c2ccccc2O1 1670042 UOEOPLWOLUQXHF-TZIWHRDSSA-N 302.373 4.446 0 40 DIAB CCOc1cccc(-c2cc(C(=O)OC)c3ccccc3n2)c1 2768973 PIKGBNKJSVELJE-UHFFFAOYSA-N 307.349 4.087 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(C)c(Cl)c1 3346541 ZQWYPIBBDMXBKX-LBPRGKRZSA-N 318.804 4.096 0 40 DIAB CSc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 3462150 KRQFGYHJUCHDLC-UHFFFAOYSA-N 321.785 4.043 0 40 DIAB CC(C)[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]32O)C1 4403828 ZWDCUZKMRDIFAX-DWIKVQACSA-N 308.506 4.389 0 40 DIAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 4592102 WCBOMUTYCNDUEM-UHFFFAOYSA-N 320.783 4.420 0 40 DIAB O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1 5409261 MBBCOLNDPHJOMK-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB Cc1cc2c(s1)NC(=O)CN=C2c1ccc(C(C)(C)C)cc1 6556626 IXKCFEVBIBVXDU-UHFFFAOYSA-N 312.438 4.144 0 40 DIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1F 6786402 CTMWFYRNIVHDHK-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1ccc(C)c(F)c1 7136288 QTSVWVMLFLUHRH-UHFFFAOYSA-N 301.361 4.104 0 40 DIAB CCCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 8628187 KKNWLDAZEQGJTF-QGZVFWFLSA-N 307.397 4.224 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)O 8732931 MTJZYFBGSMBLKU-CQSZACIVSA-N 323.458 4.407 0 40 DIAB CSc1ccc(CN(C)C(=O)c2cccc3ncccc23)cc1 12971693 MZGRNWNHVHGPFH-UHFFFAOYSA-N 322.433 4.229 0 40 DIAB O=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl 13283716 PFBVIOJZAMJZCQ-UHFFFAOYSA-N 315.682 4.398 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1Cl 13935154 XLOHQEAEWJJEHW-LLVKDONJSA-N 320.845 4.396 0 40 DIAB O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1F 14127422 YMFXJCCJTOCITG-UHFFFAOYSA-N 313.250 4.019 0 40 DIAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2C)cc1 15975721 IPJBEFBTPHJYQN-UHFFFAOYSA-N 313.372 4.298 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccccc1 20492826 BQWVHIZEPJBJHH-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 20632726 FZRBRXZGJMXJRK-OAHLLOKOSA-N 320.367 4.233 0 40 DIAB Cc1c([C@@H](C)NC(=S)NCc2ccco2)oc2ccccc12 44239234 GGIVPQAWYGZVCY-GFCCVEGCSA-N 314.410 4.060 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1F 44850469 VYTZJSLWJWDGDD-INIZCTEOSA-N 305.324 4.069 0 40 DIAB COc1ccc(NC(=S)Nc2cc(F)ccc2C)cc1F 71760507 VJYZAXXUYORPEH-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2nc3ccccc3nc2C)C1(C)C 71872192 OEVGNJQSYVEFCE-RDTXWAMCSA-N 324.424 4.220 0 40 DIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C2CCCCC2)c1 71909292 OWWOAYQKBCXLDE-QFIPXVFZSA-N 321.486 4.253 0 40 DIAB Cc1ccccc1OCCCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 72303340 GKZLFHJDXVHBRW-LAUBAEHRSA-N 323.436 4.374 0 40 DIAB CN(C)c1sc(C(=O)c2ccccc2)cc1-c1cccnc1 72481735 DRMRPVGIVKBUSM-UHFFFAOYSA-N 308.406 4.107 0 40 DIAB FC(F)(F)/C(Br)=C(/Br)C(F)(F)F 76941501 AXAMFVOTWJBOCA-UPHRSURJSA-N 321.840 4.112 0 40 DIAB Cc1oc(-c2ccccc2)nc1C[S@](=O)c1cccs1 96482609 CESXAWFUJULXRW-HXUWFJFHSA-N 303.408 4.019 0 40 DIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)/C=C/c1c(F)cccc1Cl 107615341 CRIVOBJCBMEMDD-ZPNDGSEASA-N 309.812 4.433 0 40 DIAB NC1=NN(c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(F)cc2)C1 222548693 BQYDTSDJQOGKBB-AWEZNQCLSA-N 323.293 4.068 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)c1 225058843 XQWSXDJNRHYSTC-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCO[C@@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@H](C)C1 225717829 BTSHGIJZQJFGEV-DJJJIMSYSA-N 319.445 4.236 0 40 DIAB CCOc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1 225848565 VXLMXLPCYCDOOY-UHFFFAOYSA-N 304.459 4.095 0 40 DIAB CO[C@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(C)c1 1615085931 WGWWQMBLHYSDCN-QUCCMNQESA-N 301.474 4.207 0 40 DIAB O=C(c1c(F)cccc1F)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775972070 AKQOUUSKLPZEBI-KBPBESRZSA-N 303.352 4.212 0 40 DIAB CCc1ccccc1NC(=O)c1ccnc2ccc(OC)cc12 1889258098 QVDRFOHLXNTRNA-UHFFFAOYSA-N 306.365 4.058 0 40 DIAB CCC[C@@H](C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 74142 CWMRBJVFWHVVRY-SNVBAGLBSA-N 323.849 4.157 0 40 DIAB CC(C)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 322887 YFVNAVZNSIVUED-UHFFFAOYSA-N 316.213 4.106 0 40 DIAB CCO[P@@]1(=O)OCC(Cl)(Cl)[C@@H](c2ccccc2)O1 1747644 KSCUSLLSWVGGLC-MGNBDDOMSA-N 311.101 4.093 0 40 DIAB CCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 2444711 WSDUXZHZXPYBOF-UHFFFAOYSA-N 313.401 4.396 0 40 DIAB CCC(CC)c1nnc(NC(=O)c2cc(C)cc(C)c2)s1 3558594 DQXHDUQYRAVODP-UHFFFAOYSA-N 303.431 4.311 0 40 DIAB C=C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881941 ILGPJZIKYMIGMU-DGGDGUMWSA-N 314.469 4.435 0 40 DIAB biogenic O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1S2 5593985 FVLZBGJGOWCWPJ-AWEZNQCLSA-N 323.204 4.316 0 40 DIAB COc1ccc(-c2csc3nnc(-c4ccccc4)n23)cc1 6170562 VSIBPFRUYHPVTJ-UHFFFAOYSA-N 307.378 4.133 0 40 DIAB CC[C@H]1c2ccsc2CCN1c1ncnc2sccc12 8324343 MMXLFWVQEHRDST-LBPRGKRZSA-N 301.440 4.267 0 40 DIAB CCCCc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 14543861 GKNYDDRXQQABES-SJPCQFCGSA-N 313.441 4.363 0 40 DIAB Cc1c(C(=O)NCc2ccc(F)cc2)oc2c(Cl)cccc12 15316805 IGWQYUDBXUPZQF-UHFFFAOYSA-N 317.747 4.464 0 40 DIAB Clc1ccc(OCCCSC2=N[C@@H]3CCCC[C@H]3N2)cc1 15456894 ZZTNNXBYPUKSHP-HUUCEWRRSA-N 324.877 4.113 0 40 DIAB COc1ccc(Cl)cc1-c1noc(-c2ccc(F)cc2)n1 17031145 SVISCCJJDHWOOS-UHFFFAOYSA-N 304.708 4.205 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1cc(Cl)cc(Cl)c1 19198032 ZJGBWGDFFNAYIY-UHFFFAOYSA-N 321.163 4.316 0 40 DIAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@H](C)c1ccccc1)C3 20610182 RVCNAEPNLZBBQS-CQSZACIVSA-N 321.376 4.015 0 40 DIAB biogenic CCN(C(=O)c1ccnc(Cl)c1)c1nc2ccccc2s1 23042190 QFBNFMQQVUNOLB-UHFFFAOYSA-N 317.801 4.011 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1F 36393421 PGDQRLNFFIHMKQ-QWHCGFSZSA-N 318.367 4.395 0 40 DIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1ccccn1 40047278 VNONSVIDMQUKAV-RMKNXTFCSA-N 324.327 4.345 0 40 DIAB Cc1cccc(OCCn2c(C(F)(F)F)nc3ccccc32)c1 40231802 YHOTTWLPZSWURQ-UHFFFAOYSA-N 320.314 4.443 0 40 DIAB Cc1ccc(OC(F)F)c(-c2csc(-c3cnccn3)n2)c1 48356526 BQCGKBISLXJLAT-UHFFFAOYSA-N 319.336 4.177 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 49930331 XKRIJSLDXUPNLK-UHFFFAOYSA-N 308.208 4.195 0 40 DIAB Clc1cc(Br)c2nc(-c3ccccc3)cn2c1 57353703 BILIGNZUJHILMP-UHFFFAOYSA-N 307.578 4.417 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(F)cc2C)cc1F 71760506 IORUWGQPIRBZGV-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB C[C@@H](c1ccco1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 71903006 CBRNFJWIOUBWDA-AWEZNQCLSA-N 322.364 4.300 0 40 DIAB CC[C@H](Nc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 72207656 XMMGPYMFOVOAET-JKSUJKDBSA-N 304.434 4.277 0 40 DIAB Cc1csc(C2(NCCCOc3ccccc3C)CCC2)n1 95960374 LZDKNIDKSFYMNH-UHFFFAOYSA-N 316.470 4.198 0 40 DIAB O=C1Nc2cc(Cl)ccc2[C@H]1Cc1cccc(OC(F)F)c1 96834545 GMNQENBNTYYQBX-CYBMUJFWSA-N 323.726 4.220 0 40 DIAB O=C(Nc1ccccc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101110528 MMOSXTJWJAFEOQ-AAVRWANBSA-N 324.251 4.481 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc2c(c1)CCC2 223151333 ASHMUFGHIGILMM-CQSZACIVSA-N 311.450 4.145 0 40 DIAB COCc1cccc(NC(=O)CCSCc2ccccc2)c1 224278775 APFLYADEAAZFHO-UHFFFAOYSA-N 315.438 4.095 0 40 DIAB CCCN(CC(=O)O)c1ccccc1Sc1ccccc1 225004590 JSVNUJLZXKDNIO-UHFFFAOYSA-N 301.411 4.139 0 40 DIAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(Cl)cc1 225781565 SHGCBBQKVHYJMU-LBPRGKRZSA-N 320.845 4.094 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)CSc2ccccn2)cc1 44039 VYFRWIVTJWMADJ-ZDUSSCGKSA-N 300.427 4.326 0 40 DIAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 510746 ZCWOAIVETXRMSA-HNNXBMFYSA-N 311.425 4.240 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 514102 WBIZKMVCHUDWMK-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB CCC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 560738 DASGIBBYBGRATN-UHFFFAOYSA-N 324.355 4.012 0 40 DIAB CCOC(=O)/C=C1\C=CC=CN1Cc1ccc(C(F)(F)F)cc1 1406419 NLOMSVHBVJLOCR-RVDMUPIBSA-N 323.314 4.038 0 40 DIAB CSc1ccccc1C(=O)c1ccccc1CN1CCCC1 2515554 IRIPVQNENYEEKP-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB CCOc1ccc(NC(=O)CSCc2ccccc2F)cc1 2887376 WANMIEIETHNTHP-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB CC(C)c1ccc(/C=C/c2nc3ccccc3n(C)c2=O)cc1 4318390 JPMRDCDDYFAGRZ-JLHYYAGUSA-N 304.393 4.227 0 40 DIAB Cc1nc2ccc(NC(=S)N(C)c3ccccc3)cc2nc1C 6389845 KSEGRLNXNWDRBW-UHFFFAOYSA-N 322.437 4.080 0 40 DIAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC)cc1 7886669 ZJNBEUJLSYKMGC-IBGZPJMESA-N 324.424 4.452 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCC2 8060600 JCTRDXSRDWCLIO-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 8062440 RSZDOXZZKSXFGY-OAHLLOKOSA-N 323.392 4.306 0 40 DIAB CC(C)(C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 14163984 QZEFCNMBQNOBJO-UHFFFAOYSA-N 324.833 4.002 0 40 DIAB CN(C)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 16597001 YWVKHUUJQDJGIM-UHFFFAOYSA-N 308.303 4.024 0 40 DIAB Cc1ccc(CSCCNC(=S)Nc2ccccc2)cc1 18145672 BGAQKAJSIKEKGZ-UHFFFAOYSA-N 316.495 4.215 0 40 DIAB CC(C)(C)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 18208961 WZBLMJFOQLNYJP-UHFFFAOYSA-N 309.291 4.306 0 40 DIAB COCc1c(C(=O)NCCC2=CCCCC2)oc2ccccc12 21002830 DTPGJXBNFXPWBX-UHFFFAOYSA-N 313.397 4.200 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1C 22317842 INMPKJHTHSLBKR-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccco1 22502639 VUTRGYBPYPPNOI-UHFFFAOYSA-N 301.289 4.186 0 40 DIAB COc1ccc(-c2nc(=S)c3sc(=S)n(C)c3[nH]2)cc1 23237134 GPDXOSBIMLIICM-UHFFFAOYSA-N 321.452 4.097 0 40 DIAB COCc1cccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 25335146 OWSGGLVBTBRUHH-AWEZNQCLSA-N 315.438 4.261 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1cnc2ccccc2c1 25999380 HNVIVHLARNRGBP-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB CCOc1ccc2cc(C(=O)c3cc(F)ccc3F)oc2c1 32869580 RBLSAIFGEWIKCK-UHFFFAOYSA-N 302.276 4.341 0 40 DIAB CN(C)C(C)(C)CNc1nnc(-c2ccccc2)c2ccccc12 33012157 KZDWFLTXGIYIRD-UHFFFAOYSA-N 320.440 4.049 0 40 DIAB CCOc1ccccc1C(=O)c1ccc(Br)cc1 37358043 PBQYWAODYNSCNC-UHFFFAOYSA-N 305.171 4.079 0 40 DIAB COc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1OC 37359982 NEXQBQLQWNSPBM-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB COCc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 46932322 BQYCAQZONOAELX-UHFFFAOYSA-N 323.314 4.033 0 40 DIAB CCc1cccc(NC(=S)Nc2ccc(OC)c(F)c2)c1 71325874 CMXMUOVGYLEKFT-UHFFFAOYSA-N 304.390 4.206 0 40 DIAB CC(C)CN1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216705 NINBJCWQBVHBQM-GOSISDBHSA-N 301.478 4.255 0 40 DIAB COc1ccc(NC(=O)Nc2cnc(C)c(Cl)c2C)cc1 72264668 MKFLLIFBKQDLLP-UHFFFAOYSA-N 305.765 4.004 0 40 DIAB Cc1nc(NC(=O)N[C@H](Cc2ccccc2)C(C)(C)C)oc1C 95960021 FPDPIPSJLJRCHM-OAHLLOKOSA-N 315.417 4.070 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 96183923 MFVNFASIDRQZKQ-CHWSQXEVSA-N 317.360 4.329 0 40 DIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(C(C)C)cc1 100189052 WHHLKJUYMQCJMR-PXNSSMCTSA-N 307.441 4.170 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101398292 QAPNWNUZRUXEPP-LYUDMSCLSA-N 321.848 4.048 0 40 DIAB CCOc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 102956457 KJBNFSOBKCEDIY-QOKNQOGYSA-N 301.430 4.030 0 40 DIAB COc1ccccc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC2 223260770 WOANRXWXCHSRPA-CYBMUJFWSA-N 310.397 4.067 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(F)cc2)cc1C 223490366 HIWZXVIXQXWOJJ-HNNXBMFYSA-N 315.388 4.007 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@H](C)C1 225633193 VFMCPGCDAILXKP-KSSFIOAISA-N 305.418 4.008 0 40 DIAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(O)c1 302768492 UIMQXRYTZIXFCF-UHFFFAOYSA-N 305.761 4.087 0 40 DIAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccoc2)cc1 390829296 DITKQJJTIVIOPC-BQYQJAHWSA-N 309.390 4.338 0 40 DIAB Cc1ccc2nc(SC(=O)c3ccccc3Cl)[nH]c2c1 408625341 XMNGIHWBEJLBJH-UHFFFAOYSA-N 302.786 4.457 0 40 DIAB CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 968235 YLFRRPUBVUAHSR-LPVBTYDRSA-N 314.469 4.435 0 40 DIAB biogenic COC(=O)c1cc2c(ccn2C)n1Cc1ccc(C(C)(C)C)cc1 1353524 XYDLYGXKPFHMNR-UHFFFAOYSA-N 324.424 4.112 0 40 DIAB c1ccc(CNCc2ccc(CNCc3ccccc3)cc2)cc1 1620958 PSMQNQWPTFFHIR-UHFFFAOYSA-N 316.448 4.266 0 40 DIAB Cc1ccc(F)cc1C(=O)CCCCC1OCC(C)(C)CO1 2518114 QNFSPNDJWLRNRR-UHFFFAOYSA-N 308.393 4.276 0 40 DIAB CC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 5414180 MGHLHKBHWKCXJB-UHFFFAOYSA-N 311.381 4.030 0 40 DIAB Cc1ccc(OCCC(=O)Nc2ccc(C)cc2Cl)cc1 5936578 GSVMNQRIWWJTQV-UHFFFAOYSA-N 303.789 4.364 0 40 DIAB COc1cccc(OC)c1C(=O)Nc1ccc(C(C)(C)C)cc1 6323500 REPFHUUXSNLVDB-UHFFFAOYSA-N 313.397 4.254 0 40 DIAB CC[C@@H](OC[C@@H](O)CN(CC)C1CCCCC1)c1ccccc1 6356111 DWZLRCJCECLENB-VQTJNVASSA-N 319.489 4.170 0 40 DIAB Cc1cc(C)c(C)c(SCC(=O)NCc2cccs2)c1C 6788104 UFGMHTAKEMGPMO-UHFFFAOYSA-N 319.495 4.390 0 40 DIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1F 7917853 UFVSESNWSRMWFL-LLVKDONJSA-N 317.389 4.130 0 40 DIAB c1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)cc1 8429809 LBWWFMGUBPSKAX-UHFFFAOYSA-N 309.350 4.170 0 40 DIAB O=C(Nc1nc2cc(Cl)ccc2s1)c1cccnc1Cl 8560687 KVGVTGARISDYIN-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccc2)n1 8727325 HKMUCEKXHDDZJA-BBRMVZONSA-N 314.454 4.048 0 40 DIAB Cc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 9710989 BKLYWCDVJVWWPE-CQSZACIVSA-N 300.377 4.037 0 40 DIAB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 9754286 CECVOZOHLKGJQO-APWZRJJASA-N 311.425 4.358 0 40 DIAB Cc1c(C(=O)NCC2(c3ccccc3)CC2)oc2ccc(F)cc12 11750238 KJXFLGNLUSPZAD-UHFFFAOYSA-N 323.367 4.342 0 40 DIAB Oc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 12578866 BFOGBIPNIZJOBV-LJQANCHMSA-N 313.360 4.381 0 40 DIAB Cc1ccc(CN2Cc3cc4ccc(C)c(C)c4nc3OC2=O)o1 13227577 BWMRUXKQBJJQMY-UHFFFAOYSA-N 322.364 4.268 0 40 DIAB CCc1c(C(=O)Nc2nc3c(s2)CCCC3)csc1C 13331447 PCQIDXXREGHRIR-UHFFFAOYSA-N 306.456 4.207 0 40 DIAB Cc1ccc(C)c(NCc2n[nH]c(=S)n2-c2ccccc2)c1 13522540 PYTKFYXRSIHZPA-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Sc2ccccc2)c1 13676375 FOKIMRWEKRHBML-CYBMUJFWSA-N 301.411 4.205 0 40 DIAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2)s1 15840128 GWTRLPHHHZCZBL-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB CC(C)CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 16180517 SWXCWTJOQGEQTA-UHFFFAOYSA-N 301.361 4.280 0 40 DIAB O=C(O)c1cccnc1Sc1ccnc2cc(Cl)ccc12 20020949 GSXWZSVHWMGKNI-UHFFFAOYSA-N 316.769 4.133 0 40 DIAB CNCc1ccc(-c2ccc(Cl)cc2Br)o1 20158478 RMERUOLOJOURHH-UHFFFAOYSA-N 300.583 4.082 0 40 DIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccccc1 20632668 UPYBIQBHRLMKHH-CQSZACIVSA-N 322.795 4.438 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1F 44194759 KHSKFEUXNCPYQB-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB C[C@@H](NC(=O)Nc1ccccc1F)c1cccc(OC(F)F)c1 45954302 CGHHAJHJJWBPOH-SNVBAGLBSA-N 324.302 4.310 0 40 DIAB C[C@H]1CCCN(CCCCNC(=O)c2ccc3ccccc3c2)C1 46991102 PGKDAOYXJNVSOK-KRWDZBQOSA-N 324.468 4.082 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72214870 KRQCRXJQUVJVBG-HNNXBMFYSA-N 319.449 4.046 0 40 DIAB Cc1nccc(C(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)n1 72302993 YOWCJVCFNFISLH-MRXNPFEDSA-N 319.493 4.488 0 40 DIAB OCc1ccc2nc(-c3ccccc3Br)sc2c1 73740283 NWGQUXDLWPQWCO-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB O=C(O)c1cccc(-c2csc(/C=C/c3cccnc3)n2)c1 75093208 QETREEUXLUHHPQ-VOTSOKGWSA-N 308.362 4.074 0 40 DIAB Cc1ccccc1C[S@](=O)Cc1cccc(OC(F)F)c1 78555964 VWZOKFFORPVHPU-NRFANRHFSA-N 310.365 4.045 0 40 DIAB CC[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@H]1c1ccccc1 80450321 XRSXSKQBQSEBGC-WMLDXEAASA-N 324.424 4.208 0 40 DIAB O[C@H](c1cccc(Br)c1)c1ccc(Cl)c(F)c1 95730193 IQHUYMJGLPNXDY-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1 95920789 PBZWFIHUWUZQDJ-UHFFFAOYSA-N 314.454 4.462 0 40 DIAB in-vitro CC(C)C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 95949715 WZWHHZCLRSANTB-KBXCAEBGSA-N 323.440 4.294 0 40 DIAB Nc1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)s1 96029650 ZOVRFGGBVGBCGW-UHFFFAOYSA-N 303.774 4.233 0 40 DIAB C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@@H]1CC[C@@H]2C1 104295414 FTJRACLRIHXNNT-DEQQHWRFSA-N 316.466 4.231 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1C[C@@H](C)C[C@@H](C)C1 216865313 NGCUYMKHNHTWJO-BETUJISGSA-N 317.477 4.044 0 40 DIAB CCSc1ccccc1C(=O)NCCCc1ccc(F)cc1 219645908 GKWSUILXAYPYIJ-UHFFFAOYSA-N 317.429 4.300 0 40 DIAB Cc1ccc(OCCNC(=O)C2(c3ccccc3)CCCC2)cc1 224728447 IANIURCBQJIPEU-UHFFFAOYSA-N 323.436 4.002 0 40 DIAB CCc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1 225193243 SFRVFWUGXPOKNY-UHFFFAOYSA-N 315.844 4.194 0 40 DIAB CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225322957 LCYATPJAXTZTAH-UHFFFAOYSA-N 300.229 4.185 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(C)c1 225619924 AKFKUWGLULYYFX-SFHVURJKSA-N 307.434 4.318 0 40 DIAB COC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCC1 225626955 POCROZMTUMRJBL-UHFFFAOYSA-N 317.429 4.214 0 40 DIAB O=C(Sc1nnc(-c2ccco2)o1)c1ccc2ccccc2c1 408534759 WSXXAEQBRCJGOI-UHFFFAOYSA-N 322.345 4.415 0 40 DIAB Cc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1 1429085 RFJBIPJETUDIMC-IZZDOVSWSA-N 316.198 4.409 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1Cl 2358051 IWBGOPQIZMLDEE-GFCCVEGCSA-N 305.805 4.129 0 40 DIAB biogenic Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)o1 3363701 HXJXGDIZRGMEAP-IDVQTMNDSA-N 318.756 4.069 0 40 DIAB CCc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1 5823285 WZVFJWODXXYABD-UHFFFAOYSA-N 315.829 4.439 0 40 DIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 6053003 QXVLBSINEPUFSB-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB CCCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC 6651648 NLFZPMIMGVDFOJ-FOWTUZBSSA-N 323.392 4.367 0 40 DIAB COc1ccc2c(C)cc(SC[C@H]3CCCCO3)nc2c1 6831999 YUPFUWBEKYPOMG-CQSZACIVSA-N 303.427 4.213 0 40 DIAB COc1ccc(C)cc1NC(=O)c1nc(-c2ccccc2)oc1C 8980348 KPKDIAFPDJQZLE-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB S=C(Nc1ccccc1Cl)N(Cc1ccco1)C1CC1 9050042 PYDKZKNCPDFOCJ-UHFFFAOYSA-N 306.818 4.294 0 40 DIAB CC[C@@]1(C)Cc2ccccc2-c2nc(SC(C)C)[nH]c(=O)c21 9692019 RYDFVMMMYFSBEA-SFHVURJKSA-N 314.454 4.161 0 40 DIAB O=C(c1ccc2c3c(cccc13)CC2)N1CCc2sccc2C1 12216883 FWLDSMDFDRVDNH-UHFFFAOYSA-N 319.429 4.198 0 40 DIAB O=C(O)/C=C/c1ccc(-c2ccc(Br)cc2)s1 12760869 FTJNPBDQEVRWEI-SOFGYWHQSA-N 309.184 4.275 0 40 DIAB CCc1nc2ccccc2c(C(=O)Oc2ccccc2OC)c1C 14084878 SWSRPFDYLHZXLW-UHFFFAOYSA-N 321.376 4.333 0 40 DIAB CC(=O)c1csc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 18232982 RLUVRTXQVSHSCO-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(Cl)cc1 19798376 RYQSSFYKOIWPCP-KRWDZBQOSA-N 312.800 4.065 0 40 DIAB biogenic O=C(CCC1CCCCC1)NCC[C@H]1CNc2ccccc21 20028034 PSFMSHZHKUVMCI-INIZCTEOSA-N 300.446 4.063 0 40 DIAB Cc1ccc(C)c(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28219808 VDXOTJCKUVTGAY-UHFFFAOYSA-N 320.396 4.442 0 40 DIAB Cc1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 28220098 NEOOPYALHKSPEK-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB c1ccc(Cc2noc(CSc3nc4ccccc4o3)n2)cc1 31647250 LSEZQEDRMIZDAI-UHFFFAOYSA-N 323.377 4.094 0 40 DIAB CC(C)COCCC(=O)Nc1ccccc1Oc1ccccc1 31734599 OLYOJCCLMCUUKH-UHFFFAOYSA-N 313.397 4.480 0 40 DIAB CCC(=O)N(Cc1ccco1)[C@@H](c1ccc(OC)cc1)C(C)C 32074073 ZFLFBABYFGVVPQ-LJQANCHMSA-N 315.413 4.424 0 40 DIAB COCCc1ccc(Oc2ncnc3cc(Cl)ccc23)cc1 32907681 YPJAXAWNPFMEHO-UHFFFAOYSA-N 314.772 4.264 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OC)c1 40162140 DCPKMDDNVGBUTH-UHFFFAOYSA-N 309.818 4.072 0 40 DIAB Cc1ccc2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 45887309 ZCCYRKOXROLPBK-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB c1coc(-c2nnc(CN3CCC[C@@H]3CC3CCCCC3)o2)c1 61040298 YXMSFIJJACEPFE-OAHLLOKOSA-N 315.417 4.264 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72214961 ACHLZRRTOJAVEO-OAHLLOKOSA-N 319.449 4.048 0 40 DIAB Cc1csc(-c2ccc(C(=O)N3C[C@@H](C)CC[C@@H]3C)cc2)n1 75291897 CYLCTUWRYSWWFB-JSGCOSHPSA-N 314.454 4.379 0 40 DIAB O=[S@](Cc1csc(-c2ccco2)n1)CC1CCCCC1 78602606 KKHXHXHXUAHJSP-HXUWFJFHSA-N 309.456 4.232 0 40 DIAB CCc1cnccc1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 95468154 DUOWKMIZENGYAK-FQEVSTJZSA-N 320.436 4.326 0 40 DIAB O=C1Nc2ccccc2S/C1=C/NCc1ccc(Cl)cc1 100400679 APTOESKUKOJLTL-XNTDXEJSSA-N 316.813 4.015 0 40 DIAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H]1c1cccc2ccccc12 107498810 QJMMGZLPQTWIDY-XWPNQZOQSA-N 321.420 4.071 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1C 113960835 FTSYTDCLNHKBGW-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB Cc1nc2cc(NC(=O)N3CC[C@@H](c4ccccc4)C3)ccc2o1 158264623 LKRBRNVSBPCSRM-OAHLLOKOSA-N 321.380 4.158 0 40 DIAB CC(=O)Nc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1 206637946 ZRMHUKGXXXKGPB-UHFFFAOYSA-N 311.168 4.326 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCCC(C)(C)C1 216437138 RSACTJSMDDUSMW-OAHLLOKOSA-N 303.446 4.226 0 40 DIAB CCCCOCc1cc(C(=O)N[C@H](C)CCC)ccc1OCC 224731264 CJVMUZYKXSLCAW-OAHLLOKOSA-N 321.461 4.320 0 40 DIAB O=C(Nc1ccc(OC2CCCC2)cc1)C(Cl)(Cl)Cl 225589388 GHJFWIXHXVWKJW-UHFFFAOYSA-N 322.619 4.317 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc2ccccc2o1 575615492 FOVGMZQWMHOGNL-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB O=C(c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 550178 NLJFLYBTWAETHJ-UHFFFAOYSA-N 310.784 4.020 0 40 DIAB O=C(c1csc2ccccc12)[C@@H](O)c1ccccc1Cl 1561938 AJJKEGIPRRQSNC-HNNXBMFYSA-N 302.782 4.471 0 40 DIAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Cl)cc1 2491406 NPEQEJBUAHXKID-CQSZACIVSA-N 320.816 4.484 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)OCc2cccc(F)c2)c1 3258461 PPSWNTKNDWQNDI-UHFFFAOYSA-N 316.372 4.380 0 40 DIAB OC[C@@H](O)COCCCCCCCCCCC[C@@H]1C=CCC1 5600228 NRDAUYPIWGKTAJ-RTBURBONSA-N 312.494 4.223 0 40 DIAB COc1cccc(OCCn2c(C)nc3cc(C)c(C)cc32)c1 6767821 SVYNPYFZUJGGNB-UHFFFAOYSA-N 310.397 4.049 0 40 DIAB COc1ccccc1NC(=O)Cc1coc2cc(C)cc(C)c12 6809767 APSFSVSZWZMNFJ-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB O=C(CNc1cccc(F)c1)Nc1cccc(Cl)c1Cl 7971914 CISYYAMSGVKCBI-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 9112867 CTJVJBLLYCRFIX-HNNXBMFYSA-N 303.793 4.048 0 40 DIAB O=C(N1CCc2ccccc21)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12907116 GMDBBQFBAAHMAN-BAUKFBFWSA-N 315.844 4.154 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1cc(Cl)ccc1Cl 13391146 QUVOGXXHMKJQIB-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncc1 17791998 VUFVXCHNEYQNCF-HNNXBMFYSA-N 318.376 4.365 0 40 DIAB CC[C@@H](NC(=O)COc1cc(C)ccc1C)c1ccc(C)cc1 20456266 SGDIWDMXWAQCHB-GOSISDBHSA-N 311.425 4.258 0 40 DIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c1 21840234 NLICJFIQTIEVDW-JQEMZSCMSA-N 309.365 4.258 0 40 DIAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)c(C)s1 28356208 IZTFLFJPXOQRNR-STQMWFEESA-N 302.443 4.486 0 40 DIAB COc1ccc([C@@H](C)NC(=O)Nc2ccccc2Cl)cc1 28579808 SPVYMAZXMOYOLF-LLVKDONJSA-N 304.777 4.231 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 32843240 JCGOYHFAMNDAGR-QXIYBXNSSA-N 301.474 4.310 0 40 DIAB Brc1ccc(SCC[C@H]2CCCCN2)cc1 43499555 YJEGDPYEKJQVJQ-GFCCVEGCSA-N 300.265 4.073 0 40 DIAB C[C@@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 44874337 FJYBPSAYQPCJKT-CHWSQXEVSA-N 311.360 4.288 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(C)cc1 44884166 CDJGYPVJEALLTE-GOSISDBHSA-N 311.425 4.086 0 40 DIAB CC(C)c1ccc2nc(CO[C@@H]3CCCC[C@H]3C)[nH]c(=O)c2c1 57771814 XTZCLJRKOHCWAS-CXAGYDPISA-N 314.429 4.142 0 40 DIAB c1ccc(CN2CCCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 72213804 FNFGSZGHMKSCRZ-LJQANCHMSA-N 307.441 4.383 0 40 DIAB COCCCCCn1nc(-c2ccccc2)nc1-c1ccccc1 83902484 HCTDHHWURPWUQE-UHFFFAOYSA-N 321.424 4.429 0 40 DIAB Cc1ccsc1CNC(=O)N(CCC(F)(F)F)C1CCC1 89702041 ONRIJMFGPFPVTQ-UHFFFAOYSA-N 320.380 4.073 0 40 DIAB COc1ccc2cc(C(=O)c3cc(F)c(F)cc3F)ccc2c1 95917112 CKYUQDCXTNCHCA-UHFFFAOYSA-N 316.278 4.497 0 40 DIAB c1ccc2c(c1)CSC[C@H]2NCCc1c[nH]c2ccccc12 95949745 XZNGPLGANZELGO-LJQANCHMSA-N 308.450 4.288 0 40 DIAB CCc1noc(CC)c1CN[C@@H](C)c1c(C)nn(C(C)C)c1C 95969159 SBCFPMDTBLBFME-LBPRGKRZSA-N 318.465 4.044 0 40 DIAB COCCCCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 96409990 BCHBBAMQSSWHNL-SFHVURJKSA-N 303.446 4.255 0 40 DIAB O=C1Nc2ccccc2S/C1=C/NCc1ccccc1Cl 100390848 RTNGACOPHJCECB-XNTDXEJSSA-N 316.813 4.015 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)COc1ccccc1Cl)C2 105548984 HZUDWFYGQNPAEI-QITLCBANSA-N 321.848 4.050 0 40 DIAB CCCCOCc1cc(C(=O)NC2CCCC2)ccc1OCC 224723888 LIGBWUVXUGOESP-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB O=C(O)[C@@H](Cc1cccc(Cl)c1)Oc1ccccc1Cl 225058314 IENSPRDTMZAXTF-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CC[C@H](C)OCc1nn(C2CCCC2)cc1Br 408717281 XYKPJRXVCRIVMO-JTQLQIEISA-N 301.228 4.076 0 40 DIAB CCCCc1ccc(C(=O)NCC[C@H]2Cc3ccccc3N2)cc1 1505840696 RMNBRYUAMRAXIK-IBGZPJMESA-N 322.452 4.186 0 40 DIAB Clc1ccccc1CSc1nnc(-c2cccnc2)o1 411431 UVYLJKJJFHMACG-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1cc(Cl)ccc1Cl 2514640 XPGXKYLUTZQLMZ-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB O=C(CCc1cccc(F)c1)c1ccc(Br)cc1 2517331 WLVJXTFCCNBFAW-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB CCOc1cc(C(=O)Nc2ccccc2C)ccc1OC(F)F 2796960 TXIYVWZMIROFNL-UHFFFAOYSA-N 321.323 4.247 0 40 DIAB CCCCNCCOCCOc1c(Cl)cc(C)cc1Cl 3310479 PMJQHWRHSDWPFT-UHFFFAOYSA-N 320.260 4.087 0 40 DIAB Cc1ccc(C)c(C(=O)CSc2ncnc3ccccc23)c1 3527571 HHQUZYKPFHURJM-UHFFFAOYSA-N 308.406 4.222 0 40 DIAB COc1cccc2c(N[C@H](C)c3ccccc3)c(C(=O)O)cnc12 5610147 OFTGVWHMBBCTCO-GFCCVEGCSA-N 322.364 4.115 0 40 DIAB Oc1ccc(CSc2nc3ccccc3[nH]2)c2cccnc12 5635527 VBTLWVIKPCKXKW-UHFFFAOYSA-N 307.378 4.109 0 40 DIAB C[C@H](c1cc2ccccc2o1)n1c(=S)[nH]c2ccccc2c1=O 7047233 PWFVELRTGJHEIW-LLVKDONJSA-N 322.389 4.415 0 40 DIAB Cc1cc(C(=O)OCc2ccccc2Oc2ccccc2)on1 7226648 OCLGURWDMRWLDL-UHFFFAOYSA-N 309.321 4.132 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(F)ccc2F)c1C 7754663 AEFGYWVIMJWUPO-UHFFFAOYSA-N 323.364 4.087 0 40 DIAB Cc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1 7972887 HGPJTZPIAABVOA-UHFFFAOYSA-N 308.303 4.064 0 40 DIAB O=C(CSCc1cccc(Cl)c1)NCc1ccc(F)cc1 8265539 GSLUTMSHVGTBGR-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB Cc1cc2nc(NCc3ccc(Cl)cc3)c3ccccc3n2n1 8428531 VQBLVEVQGLKIGQ-UHFFFAOYSA-N 322.799 4.456 0 40 DIAB CCc1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 12493064 NYMNOFJMALRALF-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB Cc1cccc(NC(=O)c2occc2COc2ccccc2)c1 12618228 HJGUJKBQLFTTSY-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB CC(C)CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 12638450 LXTAQGBXVOMJGI-UHFFFAOYSA-N 307.397 4.400 0 40 DIAB Cc1cccc(OCCCC(=O)Nc2c(F)cccc2F)c1 12792938 IMZFFNJAKOTVDG-UHFFFAOYSA-N 305.324 4.071 0 40 DIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)cc1)NCC2 20506958 KWPVIMZLABIUNQ-HXUWFJFHSA-N 311.425 4.028 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 22002638 NJJROUQUMUYFET-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB O=C(NCC1CC1)c1cccnc1Sc1ccc(Cl)cc1 22972161 MOCUBZOVKVITIJ-UHFFFAOYSA-N 318.829 4.026 0 40 DIAB COc1ccccc1/C=C/C(=O)N(C)Cc1ccc(Cl)cc1 30851040 HJTLFPVUKMYBED-FMIVXFBMSA-N 315.800 4.020 0 40 DIAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2c1C 32722173 UJDNAKHIYBIYJQ-GOSISDBHSA-N 320.392 4.038 0 40 DIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 32895211 ZCKJIJKINADFIS-CMPLNLGQSA-N 305.727 4.191 0 40 DIAB CC(C)(C)SCCNC(=S)Nc1cccc(Cl)c1 33704108 NETCUHGAPHCCHK-UHFFFAOYSA-N 302.896 4.158 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351160 UDEXIGYCKCPVSA-OQRGYWNNSA-N 309.409 4.203 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c(C)c1 59351602 LBOXBRFZQDRHEO-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB C[C@@H](NC(=O)N(C1CC1)[C@H](C)C1CC1)c1csc(C2CC2)n1 74206132 RPYUSFADXAZAQE-GHMZBOCLSA-N 319.474 4.054 0 40 DIAB C[C@@H](OC(=O)CC(C)(C)C)c1nc2cc(Cl)ccc2n1C 75104066 BKBYSFRJWVADSQ-SNVBAGLBSA-N 308.809 4.267 0 40 DIAB COCc1ccccc1NCc1ccc(SC)c(OC)c1 95428681 IGIBSNZOZSOMMI-UHFFFAOYSA-N 303.427 4.176 0 40 DIAB FC(F)(F)c1cc(-c2ccccc2)n(-c2cc(Cl)ncn2)n1 95481751 GZJHSDHUXZMNSA-UHFFFAOYSA-N 324.693 4.002 0 40 DIAB C[C@H](SC1CCOCC1)c1cccc(Br)c1 97229755 BIHHPEMUVJYDRH-JTQLQIEISA-N 301.249 4.422 0 40 DIAB Cc1csc([C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 110626528 GOOLHHPGPUFJHJ-QSGSBWRWSA-N 302.443 4.409 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)CC(C)(C)C 224415687 AFTGQCIJDWZNPF-GFCCVEGCSA-N 311.853 4.438 0 40 DIAB CCc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225043029 KMPFNWPTZRKTAS-QGZVFWFLSA-N 318.800 4.286 0 40 DIAB COc1ccc2ccccc2c1C(=O)C(F)(F)Br 575358581 SZWRMNKJZPTKQS-UHFFFAOYSA-N 315.113 4.019 0 40 DIAB CCOc1ccc(NC(=O)NCC(C)(C)c2ccsc2)cc1 1565519165 BQDBFTBMKCJMNC-UHFFFAOYSA-N 318.442 4.246 0 40 DIAB CCOC(=O)c1c(NC(=O)OC(C)(C)C)ccc2ccccc12 1772714675 HCRBLODCJWKDGG-UHFFFAOYSA-N 315.369 4.364 0 40 DIAB Cc1nc(N2CCCCC2)c2c3c(sc2n1)C[C@H](C)CC3 87595 UVVXBGJBXMYZHI-LLVKDONJSA-N 301.459 4.115 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 141693 AOGDFFIVTULNIA-RHSMWYFYSA-N 303.446 4.058 0 40 DIAB Nc1ccc(-c2nc(-c3ccccc3)c3cc(N)ccc3n2)cc1 175138 FDVDXJBQIDLTID-UHFFFAOYSA-N 312.376 4.128 0 40 DIAB Nc1cccc2c(NC(=O)[C@H]3C[C@H]3c3ccccc3)cccc12 492745 LXFWPKWRSTYWCW-IRXDYDNUSA-N 302.377 4.164 0 40 DIAB COc1cc2sc(NC(=O)c3cccs3)nc2cc1Cl 558333 OPIYKWQFZIRSMX-UHFFFAOYSA-N 324.814 4.272 0 40 DIAB Cc1ccn2c(C=O)c(-c3ccc(Cl)cc3Cl)nc2c1 1527462 LTNNCIHDFOKFPC-UHFFFAOYSA-N 305.164 4.429 0 40 DIAB CCC[C@@H](C(=O)OCCN1C[C@H](C)CC1(C)C)C1CCCC1 1688285 SDCSZRGNRKNQRO-NVXWUHKLSA-N 309.494 4.257 0 40 DIAB CCc1ccccc1NC(=O)CCCOc1ccccc1OC 1892975 YUPFQZIJZPTVQP-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB CCCC[C@@H](CC)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2061899 IUHLYTFCDZAKRU-CYBMUJFWSA-N 302.370 4.223 0 40 DIAB Nc1cc(C(F)(F)F)c(C(F)(F)F)cc1Br 2568792 GDBFBFPCVDCVRM-UHFFFAOYSA-N 308.019 4.069 0 40 DIAB Cc1ccc(CC(=O)NCCSc2ccc(Cl)cc2)cc1 3104869 FRDFICGYUYVEMV-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB COc1ccc(NC(=O)c2ccc(F)c(F)c2)c2ccccc12 3164638 GHPDRZZDRJAJCM-UHFFFAOYSA-N 313.303 4.379 0 40 DIAB COc1ccc(C(=O)Oc2cccc3ccccc23)c(OC)c1 3289197 RBMHZYWUZQFVAS-UHFFFAOYSA-N 308.333 4.076 0 40 DIAB CSc1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 3300400 AWPVAKVFQWTKNO-UHFFFAOYSA-N 322.769 4.010 0 40 DIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)O 5515867 LJFJPDHXAWVDSA-WWGRRREGSA-N 304.386 4.002 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1ccc(OC(F)F)cc1 6328927 WRVAHEXIDOLJTN-UHFFFAOYSA-N 311.715 4.123 0 40 DIAB Cc1cccc(Oc2ccc(NC(=O)c3cccnc3)cc2)c1 6982011 BIXFNQSZDYKLHN-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB CC(=O)Nc1ccc(SCCCOc2ccc(F)cc2)cc1 7705255 JSTWYPNMOZNGES-UHFFFAOYSA-N 319.401 4.345 0 40 DIAB Cc1c(F)cccc1N[S@@](=O)C12CC3CC(CC(C3)C1)C2 7871150 FSSLFEUEGJKEEU-WVNGCBKESA-N 307.434 4.179 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1cccs1 7990505 YMXHKRBZUYDXHI-INIZCTEOSA-N 308.406 4.274 0 40 DIAB CCn1/c(=N\C(=O)c2ccc(Cl)s2)sc2ccccc21 12180876 YLDXPSOGUXSFBG-JQIJEIRASA-N 322.842 4.179 0 40 DIAB CCCCc1ccc(NC(=S)Nc2ccc(OC)nc2)cc1 12550162 QLEWJPXHRNRSIP-UHFFFAOYSA-N 315.442 4.242 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@@]21C 13302421 ILQLITDRYFHAGM-LSTHTHJFSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 14039806 NTYVEEVNNXIWMV-NSHDSACASA-N 321.779 4.448 0 40 DIAB Cc1ccc(NC(=S)NCCSCc2ccccc2)cc1 18162774 SCQBCQPXYWPYMR-UHFFFAOYSA-N 316.495 4.215 0 40 DIAB c1ccc(Nc2cc(-c3ccsc3)nc([C@@H]3CCNC3)n2)cc1 19373339 WZGGPXZXHJYRGO-CYBMUJFWSA-N 322.437 4.026 0 40 DIAB Cc1ncsc1-c1nc(N2CCCC2)ncc1-c1ccccc1 19562365 XPVMHWVVFZDVEX-UHFFFAOYSA-N 322.437 4.176 0 40 DIAB O=C(c1cccc(Br)c1)c1cc2ccccc2o1 20362287 WVOQWMOIFZEUDW-UHFFFAOYSA-N 301.139 4.426 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1C 24960706 MKDFECYMYCLQJF-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB CCN(c1ccc(NC(=O)c2cc(Cl)cn2C)cc1)C(C)C 30675590 GFJJERMJFFERGV-UHFFFAOYSA-N 319.836 4.166 0 40 DIAB Cc1n[nH]cc1CN[C@H](C)c1cc(F)c(Cl)cc1Cl 38011497 IWDNPXUXWCANJT-MRVPVSSYSA-N 302.180 4.015 0 40 DIAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)cc1 38566781 DFSDYUGGWHRDEF-QGZVFWFLSA-N 324.424 4.333 0 40 DIAB CCOc1ccc(-c2nc(N)cc(Nc3cccc(C)c3)n2)cc1 49468023 UCVKBOVNGPQXHF-UHFFFAOYSA-N 320.396 4.177 0 40 DIAB CCN(CC)CC/C=C\C(O)(c1ccccc1)c1ccccc1 67340233 MQYZDLDTVOUVQP-BOPFTXTBSA-N 309.453 4.211 0 40 DIAB Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N(C)C 72218646 TUWXORDSYQVNFW-IBGZPJMESA-N 309.457 4.183 0 40 DIAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CCC1CCCC1 89761505 VQSTVMIZVNYJFG-UHFFFAOYSA-N 315.392 4.135 0 40 DIAB CC[C@@H]1CN(C(C)=O)CC[C@H]1N[C@@H](C)c1ccc2ccccc2c1 89948703 YDUSXYLTWIEXSB-LUQKVYGDSA-N 324.468 4.137 0 40 DIAB CC1CCN(c2ncc(C(F)(F)F)cc2Br)CC1 95096672 HRQPSZOHOXJKKI-UHFFFAOYSA-N 323.156 4.099 0 40 DIAB O=C(Nc1cnn(-c2ccccc2)c1)c1csc2ccccc12 95377619 TZWAWSIOYYQUBM-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB Cc1ccc(CNCCCSC(F)(F)C(F)(F)F)cc1 95918343 XGRKDNGXEJVPMY-UHFFFAOYSA-N 313.335 4.363 0 40 DIAB CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cnccc1C 95950621 GSPMQCASRDAACE-QGZVFWFLSA-N 312.413 4.310 0 40 DIAB COCC[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(C)o1 95994213 LJDVVHHUNCLYEZ-ZOBUZTSGSA-N 319.445 4.020 0 40 DIAB CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Cl)c1 216813300 OCHHCBYDPSGPNE-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222900040 YBEQWNMWXKMOPC-INIZCTEOSA-N 323.436 4.130 0 40 DIAB Fc1cccc(F)c1NC(=S)N[C@@H]1CCCc2ccccc21 225460411 JCBVAZNKIYOUKF-OAHLLOKOSA-N 318.392 4.329 0 40 DIAB COC(=O)c1ccc([C@@H](C)N(C)Cc2ccc3ccccc3c2)o1 538096933 CSTFQLVMIZGRLX-CQSZACIVSA-N 323.392 4.412 0 40 DIAB CN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 249226 BAICPABIIXDQBX-UHFFFAOYSA-N 306.409 4.149 0 40 DIAB CCc1ccc(OC(=O)c2ccccc2)c(Br)c1 348131 JXNDDBZTPAUJAH-UHFFFAOYSA-N 305.171 4.231 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2 414147 ZBVRXGQDSNUTQR-UHFFFAOYSA-N 304.393 4.228 0 40 DIAB COc1ccc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2c1 489039 LGVNGNNLDKGLQW-UHFFFAOYSA-N 322.316 4.223 0 40 DIAB biogenic O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCCC1 2515578 COOCFFXUFPOJSP-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2ccc(Cl)cc2)cc1 3105107 GMEOERSBJSUHOJ-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB CCOc1ccc(OCC)c(NC(=O)c2ccccc2Cl)c1 5673343 OPCQTKDMCLWCOQ-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Brc1cccc(-c2nc(Cc3cccs3)no2)c1 5944144 BRXLXXAAHIFMJV-UHFFFAOYSA-N 321.199 4.151 0 40 DIAB CCCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 7304162 VSQMCMAEBIILED-CYBMUJFWSA-N 301.361 4.106 0 40 DIAB COc1ccc(Br)cc1CNCc1ccc(C)cc1 7537880 HQCXLVQDBQVYSS-UHFFFAOYSA-N 320.230 4.056 0 40 DIAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCCC1 8341318 CVNTZQWDBTXQFJ-UHFFFAOYSA-N 309.287 4.201 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1OC 8382769 FXZMZMSCXMXVQG-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB CCN(CC)Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717491 CZTMFIADPBJBEN-UHFFFAOYSA-N 316.445 4.125 0 40 DIAB c1ccc(-c2cc3c(NCc4ccncc4)ncnc3s2)cc1 12546720 QVDOWPXTYCMSFK-UHFFFAOYSA-N 318.405 4.365 0 40 DIAB Cc1nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2o1 12740852 RCCQILDNYCFKAE-UHFFFAOYSA-N 304.708 4.181 0 40 DIAB CCOc1ccc(OCC)c(NC(=O)CCC2CCCC2)c1 13018907 QUUNXOHQHUVADN-UHFFFAOYSA-N 305.418 4.393 0 40 DIAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1F 13787594 VRPQVSDBVXODJM-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB Cc1ccc(-c2cc(C(=O)N(C)C)c3ccccc3n2)c(C)c1 14247268 UKYJQIFYTUZNNG-UHFFFAOYSA-N 304.393 4.220 0 40 DIAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccccc1 17115560 QISAEUAKDZOSKJ-UHFFFAOYSA-N 323.223 4.335 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1 20632926 RTOZBBSFNZSDHQ-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB CCCCCNC(=O)c1cccnc1Sc1ccccc1 22505138 LYNLYSFWBVBAKA-UHFFFAOYSA-N 300.427 4.153 0 40 DIAB CN(C(=O)/C=C/c1cccc(Cl)c1)[C@H]1CCc2ccccc21 27818422 WWWKFECVECBIFZ-PEKVBPLLSA-N 311.812 4.499 0 40 DIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2)cc1 31820892 QTXBTXTZDCHGGD-INIZCTEOSA-N 319.364 4.005 0 40 DIAB COc1ccc(CC(=O)N(Cc2ccco2)c2ccccc2)cc1 32837021 WTQJXBGFDSPYAK-UHFFFAOYSA-N 321.376 4.064 0 40 DIAB Cc1ccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 40090986 QJIBAKULQJQJHC-UHFFFAOYSA-N 311.410 4.111 0 40 DIAB Cc1noc(C)c1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 40117353 QRSWWCLULVZILY-KRWDZBQOSA-N 316.376 4.092 0 40 DIAB c1ccc2sc(C3CCN(Cc4cscn4)CC3)nc2c1 40466155 UPXZXVKGKDNNKR-UHFFFAOYSA-N 315.467 4.132 0 40 DIAB CCSc1ccccc1NC(=O)COc1cccc(C)c1 55703732 KHPZOAPWZMGCCY-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB C[C@@H](CC[C@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 58195410 APVKFVRTMLXBGY-GOEBONIOSA-N 313.397 4.024 0 40 DIAB O=C(NC1CCCC1)c1ccc(-c2nc3ccccc3o2)cc1 72193644 NGPVJUDSHVNZKY-UHFFFAOYSA-N 306.365 4.167 0 40 DIAB C[C@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nccs2)C1 72284772 SLLUEYFFWYAWMX-HIFRSBDPSA-N 306.475 4.066 0 40 DIAB C[C@H](C(=O)Nc1cccc2ccccc12)n1cnc2ccccc21 89573958 BFYZBHHCLFDQME-CQSZACIVSA-N 315.376 4.389 0 40 DIAB FC(F)(F)c1nc(Cl)c2cnn(C3CCCCC3)c2n1 95097296 WSTWFUYVEFDSBT-UHFFFAOYSA-N 304.703 4.004 0 40 DIAB Cc1cc([C@H](C)NCc2ccc(C3OCCO3)cc2)c(C)s1 95422395 WMGRTIZVLFBTRI-ZDUSSCGKSA-N 317.454 4.261 0 40 DIAB C[C@@H](Cc1ccoc1)NC(=O)c1ccc(-c2ccccc2)cc1 206662665 QNRJFEWIZMVRCV-HNNXBMFYSA-N 305.377 4.308 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc(F)cc1 224447795 NTJAGGBQSVJSQF-PBHICJAKSA-N 309.425 4.316 0 40 DIAB Cc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1 225021046 DUJVTIXTWVOKDR-LJQANCHMSA-N 306.361 4.223 0 40 DIAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1C 225061673 HTDAFNGOMNQUEN-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2ccccc12 225817860 UXEXTTMYMWQSCO-LJQANCHMSA-N 315.413 4.382 0 40 DIAB c1ccc(-c2ccc(CN3CCC[C@H]3CN3CCCC3)o2)cc1 512293074 KIMXPWBWDWZEOL-SFHVURJKSA-N 310.441 4.007 0 40 DIAB CO/C([O])=C1/SC=C[C@H]1OCc1cccc(C(F)(F)F)c1 521838256 PIKXXLVWWFVXDO-LLVKDONJSA-N 317.308 4.097 0 40 DIAB O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 1083103512 LNVKRPCGRHDPNV-UHFFFAOYSA-N 306.296 4.220 0 40 DIAB CCCOc1ccc(C(=O)CCN2CC3CCC(CC3)C2)cc1 1615868 NAHNPJJDMMJSSU-UHFFFAOYSA-N 315.457 4.170 0 40 DIAB CC(=C=CC(C)(C)COC(=O)CN1CCCC1)CCC=C(C)C 2129675 WNBOVRCECFAZEQ-UHFFFAOYSA-N 319.489 4.499 0 40 DIAB biogenic CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 3192541 ABDLZOALQCWXDU-UHFFFAOYSA-N 304.349 4.051 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 4457072 NBXPZAHAEKDHRP-BTAWCLGRSA-N 314.410 4.013 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(-c3nccc(C)n3)c2)cc1 4726135 XDMUJLKXXACNKJ-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3)o2)cc1 5013673 LCUSWEAYDHWALJ-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 5861481 NKZNFKZYLCAWBI-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 6152248 JLRAGBIAKQKVDK-UHFFFAOYSA-N 301.411 4.278 0 40 DIAB Cc1ccc2c(CC(=O)N(C)Cc3ccccc3F)coc2c1 6939173 FSERHLVOTMPYSV-UHFFFAOYSA-N 311.356 4.081 0 40 DIAB O=C(c1ccccc1Cl)N1CCc2[nH]c3ccccc3c2C1 8982529 YRCCFQKJNGCDDH-UHFFFAOYSA-N 310.784 4.020 0 40 DIAB COc1ccc2cc(CNC(=O)c3ccc(C)c(F)c3)ccc2c1 11125961 MWEJJTKDZWRFBA-UHFFFAOYSA-N 323.367 4.226 0 40 DIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 11725546 JFGJMNYIRFXVQV-UHFFFAOYSA-N 319.360 4.253 0 40 DIAB Cc1cc2cc(CNc3ccccc3Cl)c(=O)[nH]c2cc1C 12493426 XNZXMKOCOMIWAP-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)cc1 12996390 SAHHQCQNXMUQDG-ZTVSIKPCSA-N 321.420 4.381 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)C1 15085181 CBXGBCJPIFTWIN-IINYFYTJSA-N 313.422 4.053 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136896 HZLFUQCZUNTIBJ-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 22516612 JPBFAXMYWMEKKZ-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1 22523814 NFTOHSZLPVDISV-CJNGLKHVSA-N 317.816 4.375 0 40 DIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccc2cc[nH]c2c1 32124003 LKEJESOKPHXCBX-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB biogenic CC[C@@H](CNC(=O)c1cc2ccc(OC)cc2[nH]1)c1ccccc1 32760065 QOBIPJYMPVBCJA-AWEZNQCLSA-N 322.408 4.100 0 40 DIAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 32854048 VZXJVSQSLZTILW-QGZVFWFLSA-N 320.396 4.240 0 40 DIAB O=C(c1cccc(Br)c1)c1c[nH]c2ccccc12 37361363 YKALKDRUOYXFEE-UHFFFAOYSA-N 300.155 4.161 0 40 DIAB Nc1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1 37366924 BTFWAQNCOUXTDF-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB COC(=O)c1cc(Nc2ccc(Cl)cc2)c2ccccc2n1 38486572 CGVMHSXROCGPBF-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)cc1F 38753002 IYLCNOZRYAGXAB-INIZCTEOSA-N 319.351 4.378 0 40 DIAB Brc1cccc(CNc2nc3ccccc3o2)c1 42419022 LCRAUAYJRIAPCT-UHFFFAOYSA-N 303.159 4.202 0 40 DIAB COc1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1OC 54202455 YTPLABRHDHBIMH-UHFFFAOYSA-N 316.307 4.274 0 40 DIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1nccc2ccccc12 58420081 DWDDCCKXYHLIAV-UONOGXRCSA-N 322.330 4.086 0 40 DIAB Cc1nccn1-c1cccc([C@@H]2CCCN(C3CCCCC3)C2)n1 72379141 UCFWEJOCIUJCGZ-QGZVFWFLSA-N 324.472 4.088 0 40 DIAB Cc1noc(C)c1[C@@H](C)Nc1ncnc2sc(C)c(C)c12 72946926 MQSUIICVVUWGJC-MRVPVSSYSA-N 302.403 4.086 0 40 DIAB CC(C)n1c(S[C@H](C)C(F)(F)F)nc2ccccc2c1=O 95965218 AINFCRSHEZTZOQ-SECBINFHSA-N 316.348 4.020 0 40 DIAB O=C(c1ccsc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211080228 CMEAJZZEBINZTD-CQSZACIVSA-N 303.402 4.297 0 40 DIAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 214625926 IZGOZCGXTJGIOG-LFIBNONCSA-N 309.390 4.232 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccccc1 216250481 NHVPIWDHRRLNED-KRWDZBQOSA-N 317.816 4.156 0 40 DIAB O=C(O)[C@@H](Cc1cccc(Cl)c1)Oc1cccc(Cl)c1 225058414 VEBCJZMFULGLTE-CQSZACIVSA-N 311.164 4.068 0 40 DIAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2CC2)c1 225386037 JJQBPVQHCKCHHX-UHFFFAOYSA-N 317.772 4.489 0 40 DIAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(Cl)cc1F)OC2(C)C 257236430 HCEHIZCDROPVRZ-FFEYXXLKSA-N 312.812 4.352 0 40 DIAB Cc1c(Cl)c(-c2nc(C(C)(C)C3=CCCCC3)no2)nn1C 333857429 OYRHNNVNBPHWEE-UHFFFAOYSA-N 320.824 4.210 0 40 DIAB O=C(c1cc(F)cc(C(F)(F)F)c1)C(Cl)(Cl)Cl 575360934 MACZMRPRXYBVQU-UHFFFAOYSA-N 309.473 4.397 0 40 DIAB Cc1ccc([C@@H]2CN(CCCc3cnccc3C)CCO2)c(C)c1 585084323 BYSJMIIVROAHCT-NRFANRHFSA-N 324.468 4.013 0 40 DIAB CC(C)CCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 38011 WMMABWLYWYLZCM-UHFFFAOYSA-N 317.429 4.408 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c1 505901 KOWFKOIZSXUSSW-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O=c1cc(-c2ccccc2F)oc2ccc(Br)cc12 521850 DAYQXLQRTQODQF-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB biogenic Cc1cc(C)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 1391272 JDHKJNOQVAJMJT-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1 1402063 UJYNFZPEJRFFRJ-UHFFFAOYSA-N 309.843 4.150 0 40 DIAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 2117660 GCKMFJBGXUYNAG-SFUSBHMVSA-N 302.458 4.269 0 40 DIAB biogenic O=C(OCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 2629880 MBPNZTZZXVNSQI-UHFFFAOYSA-N 313.353 4.306 0 40 DIAB Cc1cccc(OCCOC(=O)c2cc(C)nc3ccccc23)c1 3366642 DDFOCGQSXBPBGQ-UHFFFAOYSA-N 321.376 4.087 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 3499430 AVSJERGQKCIKEQ-LBPRGKRZSA-N 320.845 4.471 0 40 DIAB Cc1[nH]c2cc(C(F)(F)F)ccc2c1C(=O)N1CCCCC1 3850371 YQAHNZMKCBIKDY-UHFFFAOYSA-N 310.319 4.121 0 40 DIAB Cc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 3896465 NFZABJOWUFUGOS-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB CCCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 5157042 IIOITNFPKVECSZ-UHFFFAOYSA-N 302.381 4.447 0 40 DIAB C1=C[C@H]2[C@@H](c3cn(-c4ccccc4)nc31)[C@H]1C3[C@H]4C=CC(C=C[C@@H]34)[C@H]21 5722039 XVWJOZCUCAQNFB-UBCOSUFFSA-N 324.427 4.463 0 40 DIAB Clc1ccc2c(c1)[C@@H](c1ccccc1)NC(N1CCCC1)=N2 5775047 MPKXJIMWFXXKCH-QGZVFWFLSA-N 311.816 4.116 0 40 DIAB Cc1ccccc1NC(=S)NCCSCc1ccccc1 7369734 JOJTUAWAMWLENX-UHFFFAOYSA-N 316.495 4.215 0 40 DIAB O=C(Cc1ccccc1Cl)OCc1nc2ccccc2s1 7534123 JBRLUMXUZMTMSA-UHFFFAOYSA-N 317.797 4.236 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(C)c(F)c2)c(Cl)c1 7787356 NJQAMSQXILGYHX-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB Cc1ccc2oc(C(=O)Nc3cccc(Cl)c3C)cc2n1 8798708 CSARMFZWUQZPNZ-UHFFFAOYSA-N 300.745 4.350 0 40 DIAB COc1cccc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 9711134 RBJLMCVPMOOWJX-ZDUSSCGKSA-N 324.380 4.002 0 40 DIAB Cc1cnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)s1 10556001 WZXMANYPOYEUGN-UHFFFAOYSA-N 311.410 4.064 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(Cl)cc2)C1 12359698 BJQUMJXXYPZQPF-AWEZNQCLSA-N 311.809 4.118 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=S)Nc2ccccc2F)C1 13683835 FYKVEPBIDVMZHD-SJKOYZFVSA-N 306.450 4.423 0 40 DIAB COc1ccccc1[C@H](C)NC(=S)Nc1ccc(C)cc1 16317354 ARQVYAHHFUIGJA-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCc1ccccc1C 16362726 BQXUOUHEYXETFC-UHFFFAOYSA-N 313.441 4.471 0 40 DIAB Cc1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)c(C)c1 22185856 GIISPCNXOHTKQW-OAHLLOKOSA-N 313.466 4.443 0 40 DIAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCC[C@@H](C)C1 24487175 VBCFJPFQWGESCZ-LLVKDONJSA-N 302.805 4.069 0 40 DIAB O=C(NC1CCC(c2ccccc2)CC1)c1ccc2[nH]cnc2c1 25646714 OFSSGOVULMTBGD-UHFFFAOYSA-N 319.408 4.019 0 40 DIAB Cc1cccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)c1 27975776 KFFOMNWPXWJMCR-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB Cc1ccc2sc(NC(=O)c3cc(F)ccc3F)nc2c1C 28221521 DYIZGJMHDKBKLG-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB O=C(c1cc2ccccc2o1)N1CCC(c2ccc(O)cc2)CC1 55124049 LAFCFJZACDKLLX-UHFFFAOYSA-N 321.376 4.158 0 40 DIAB CCOc1cccc2c(Nc3cccc(C(=O)O)c3)cc(C)nc12 78401712 LFZZNYLUIGDMGF-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB CCc1ccc(CN[C@@H](c2ccc(F)cc2)c2cccnc2)o1 95415466 TYRHWRODLGEUFR-IBGZPJMESA-N 310.372 4.255 0 40 DIAB COc1cc(C(C)=O)ccc1O[C@@H]1CCCc2ccc(F)cc21 95444419 CUHBRYDBFYUEBI-QGZVFWFLSA-N 314.356 4.493 0 40 DIAB Cc1ccc(-c2c(C)sc3nc(-c4cc[nH]c4)[nH]c(=O)c23)cc1 102094723 BEWMJTSYBBKXOF-UHFFFAOYSA-N 321.405 4.264 0 40 DIAB COC(=O)c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1 216725509 SDRRIVWDVWAMFV-UHFFFAOYSA-N 304.773 4.322 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)nc(C)n2C 225893875 YNYLGELTUYCXQB-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB C[C@@H]1CN(Cc2cccc(O)c2Cl)[C@@H](c2ccccc2)CO1 508750295 YVGIPOIZYJFAAN-CZUORRHYSA-N 317.816 4.008 0 40 DIAB O=C(c1ccc(OC(F)(F)F)cc1)C(Cl)(Cl)Cl 575359065 PHGVSNYCYXZJKL-UHFFFAOYSA-N 307.482 4.138 0 40 DIAB CSCC[C@@H](C(=O)NC1CCCCCCC1)n1cccc1 575443144 ADJQLOCDFUPZNQ-INIZCTEOSA-N 308.491 4.011 0 40 DIAB CCC(C)(C)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 74081 JGVRZHRGSXUGCO-UHFFFAOYSA-N 323.849 4.157 0 40 DIAB CC(=O)c1ccc(-c2ccc(I)cc2)cc1 246189 SKICUSNBUUBBAB-UHFFFAOYSA-N 322.145 4.161 0 40 DIAB CN1CCCCc2c(n(-c3ccccc3)c3ccccc23)C1=O 1253080 LMDSCPQKFWEWGJ-UHFFFAOYSA-N 304.393 4.039 0 40 DIAB Cc1ccc(OCCCCn2c([C@H](C)O)nc3ccccc32)cc1 1926802 LVNSTELSZNLVKR-INIZCTEOSA-N 324.424 4.257 0 40 DIAB O=C(Nc1cccc2ccccc12)C1C[C@@H]2CCC[C@H](C1)C2=O 3172280 MDPHDBNWOHKZDF-XYPWUTKMSA-N 307.393 4.174 0 40 DIAB Cc1ccccc1CN(C)CC(=O)Nc1c(C)cccc1C(C)C 3326530 GFVXCTGIMAPMEN-UHFFFAOYSA-N 324.468 4.497 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1cc2ccccc2[nH]1 5492288 LOTIQEUNSSKYRS-UHFFFAOYSA-N 308.362 4.135 0 40 DIAB CCc1cccc(CC)c1NC(=O)CNc1cc(C)ccc1C 5636593 FDYSLGLGJAHKBG-UHFFFAOYSA-N 310.441 4.479 0 40 DIAB O=C(O)c1cccnc1SCc1ccc(Cl)cc1Cl 6220402 ITXQECLEJIOKIM-UHFFFAOYSA-N 314.193 4.379 0 40 DIAB CCSc1ccccc1C(=O)Nc1ccc(OC)cc1OC 6439989 LPYXYDZRLGOXOY-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB Cc1cccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)c1 6784825 OJDODSHGHIABNJ-ZDUSSCGKSA-N 321.471 4.251 0 40 DIAB CC(C)(C)[C@@H]1CCc2c(sc(-n3cccc3)c2C(=O)O)C1 8731402 NUPAIYLZAYVOOJ-LLVKDONJSA-N 303.427 4.388 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3nccs3)ccc2c1 9609413 AWBNBCOUBMMSEY-NSHDSACASA-N 312.394 4.047 0 40 DIAB CCc1cc(C(=O)Nc2ccc3oc(C)nc3c2)sc1C 12851419 QWTRUTNQHWVDHY-UHFFFAOYSA-N 300.383 4.321 0 40 DIAB S=C(Nc1cccc(Br)c1)NC1CCCCC1 13786928 VJWGWPWYZHAFLC-UHFFFAOYSA-N 313.264 4.068 0 40 DIAB CCOc1ccc(NC(=S)N[C@H](C)c2ccccc2C)cc1 16240985 OLAHZMFKTGYMLW-CQSZACIVSA-N 314.454 4.441 0 40 DIAB CN(C(=O)C1=Cc2cc(Cl)ccc2OC=C1)c1ccccc1 19809869 JTUSAHDIOZRELY-UHFFFAOYSA-N 311.768 4.293 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2c(C)cccn12 19898725 YXXXFYGGIKIYBC-UHFFFAOYSA-N 313.332 4.017 0 40 DIAB Cc1ccn(-c2ccc(NC(=O)CCCc3ccccc3)cc2)n1 28303529 XIBMNJFXUHXOMK-UHFFFAOYSA-N 319.408 4.142 0 40 DIAB C[C@H](NC(=O)Cc1ccsc1)c1ccc(C(F)(F)F)cc1 30116369 DZXXBFJJIOXPBU-JTQLQIEISA-N 313.344 4.187 0 40 DIAB O=C(/C=C/c1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32094074 KDAYOTBVKQONGK-YRNVUSSQSA-N 316.404 4.372 0 40 DIAB O=C(CCc1cccs1)NCCc1cccc2ccccc12 36395399 NGYPPFHYTJCZTK-UHFFFAOYSA-N 309.434 4.193 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)o1 40034338 GISGNQSFTKVAEU-QAPCUYQASA-N 323.436 4.184 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)NCCc1ccccc1F 40096453 FFMUJZNUDUNKNG-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB COc1cccc(CN(C)C(=O)Nc2cccc(Cl)c2F)c1 40103691 RCGINCLIZDJTFX-UHFFFAOYSA-N 322.767 4.152 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCCCc2ccccc21 40133979 ZOECUCNPKTYBLK-UHFFFAOYSA-N 302.377 4.218 0 40 DIAB Cc1cc(C)cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 40525961 IKRMQQWGGLBOFD-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB O=C(CCC(=O)c1ccc(F)cc1F)NC1CCCCCCC1 48384432 GCDIEVVAHUSEJN-UHFFFAOYSA-N 323.383 4.157 0 40 DIAB Cc1cc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)no1 72272321 OQWUREVIGNSCRF-MRXNPFEDSA-N 311.385 4.057 0 40 DIAB C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)c1ccccc1 72285906 AZRHEDBYFSMDCY-GDBMZVCRSA-N 314.454 4.391 0 40 DIAB CC(C)C[C@@H]1C[C@@H](Nc2ncccc2C(F)(F)F)CCO1 95990651 TUGJGASTIVRGHQ-NWDGAFQWSA-N 302.340 4.106 0 40 DIAB CC[C@@H](NC(=O)Nc1cccc(CSC)c1)c1nccs1 96415985 GZALIQNGKSLXBT-CYBMUJFWSA-N 321.471 4.279 0 40 DIAB CC[C@@H](C)Oc1cccc(NC(=O)N2CC[C@H](CSC)C2)c1 96418013 HDMZHXMDMZJHTA-KGLIPLIRSA-N 322.474 4.081 0 40 DIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 108924805 HYTKPAJFUFMASA-XSWJXKHESA-N 310.441 4.041 0 40 DIAB C[C@@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1 182554466 WQZHIRHWRDTGCX-CQSZACIVSA-N 307.349 4.189 0 40 DIAB Cc1cc(NC(=S)N[C@H](C)c2ccccc2)ncc1Cl 223956212 RQDMUGVLKHSKTG-LLVKDONJSA-N 305.834 4.091 0 40 DIAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1cccc(Cl)c1 225060813 NOHVNJZMWHNUOD-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CC1=CC(C)(C)N(C(=O)c2ccccc2C(=O)O)c2ccccc21 408735181 LENQUMCAVDWQES-UHFFFAOYSA-N 321.376 4.227 0 40 DIAB Cc1cccnc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 583985283 FPVMQKVQGCVNIG-AWEZNQCLSA-N 321.380 4.133 0 40 DIAB CC(C)C[C@H](N)C1(c2ccc(OC(F)(F)F)cc2)CCC1 1772714868 BGNNNENROBXUSX-AWEZNQCLSA-N 301.352 4.380 0 40 DIAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 1776009360 XELRZVPVGVJMOQ-IRXDYDNUSA-N 312.413 4.334 0 40 DIAB CCOC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 110839 YKCQHKCQSDPUOL-UHFFFAOYSA-N 301.186 4.293 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 559733 FLRLAFNSVMUWGW-UHFFFAOYSA-N 324.424 4.184 0 40 DIAB c1ccc2c(c1)CCCN2c1ncnc2sc3c(c12)CCC3 3261430 BOSLXDXQRJVAES-UHFFFAOYSA-N 307.422 4.264 0 40 DIAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 4777193 CAVYSZVMJNWDIL-AWEZNQCLSA-N 313.422 4.317 0 40 DIAB CC(C)C[C@H](N)c1nnc(SCc2cccc(Cl)c2)o1 5047374 QNEQAAZBRHTWRT-LBPRGKRZSA-N 311.838 4.061 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC 5466606 HDJZVEIPDSKFCP-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB O=C(Cc1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 6342066 YZUXMLVPERMGCE-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 6879828 YOZNYFHNZVLWET-UKRRQHHQSA-N 312.438 4.316 0 40 DIAB CC(=O)c1ccccc1NCC(=O)Nc1ccc2ccccc2c1 7976282 JDJJTJIXFQWMPR-UHFFFAOYSA-N 318.376 4.093 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cccc2)cc1 8745013 FBRQYPCPQZJHGV-CQSZACIVSA-N 322.433 4.298 0 40 DIAB CCc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274382 CULBOMPQIDKMJU-UHFFFAOYSA-N 309.390 4.076 0 40 DIAB CC(C)c1ccc(OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12850318 YMAFKBYJMVBEAQ-UHFFFAOYSA-N 323.396 4.355 0 40 DIAB O=C(Nc1ccccc1O)c1ccc(Oc2ccccc2)cc1 12850722 QMXWGSMRRPDIGM-UHFFFAOYSA-N 305.333 4.437 0 40 DIAB O=C(NCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 14527217 DSOPGINASQPBFE-UHFFFAOYSA-N 315.482 4.111 0 40 DIAB CCCC(=O)Nc1nc2ccc(NC(=O)CC(C)C)cc2s1 17055058 OTYCWBBDGROWEP-UHFFFAOYSA-N 319.430 4.020 0 40 DIAB CN(Cc1ccco1)C(=O)c1sc2ccccc2c1Cl 17790555 JQAIMJZCZICSSM-UHFFFAOYSA-N 305.786 4.420 0 40 DIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 20046037 FPHYIWKUIHHKQQ-ZIAGYGMSSA-N 315.438 4.053 0 40 DIAB CCCCCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20136606 LEKTWBDVTUPGQH-UHFFFAOYSA-N 304.173 4.210 0 40 DIAB CC(C)c1ccc(-c2nc(C(=O)NCC3CC3)cs2)cc1 22992606 QODUSMHRWPVOBM-UHFFFAOYSA-N 300.427 4.073 0 40 DIAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 27923809 NUCADEXFXOMYKJ-UHFFFAOYSA-N 307.397 4.123 0 40 DIAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 33192620 RHVLRGKCMNFOFW-MRVPVSSYSA-N 312.822 4.312 0 40 DIAB CC(C)CCNC(=O)c1cc2occc2n1Cc1ccccc1 36356852 KDXCGNDPQAABJR-UHFFFAOYSA-N 310.397 4.059 0 40 DIAB CSc1ccccc1C(=O)N(Cc1ccsc1)C1CC1 44446547 NNNDHTROWWBUAE-UHFFFAOYSA-N 303.452 4.275 0 40 DIAB COc1cccc(C(=O)c2cccc(Oc3ccccc3)c2)n1 45028736 ZFGRSZRUROHYLP-UHFFFAOYSA-N 305.333 4.114 0 40 DIAB CCC(=O)Nc1ccc([C@@H](C)NCc2cc(F)ccc2F)cc1 48710408 YKVZDONQJMDHDB-GFCCVEGCSA-N 318.367 4.164 0 40 DIAB C[C@H](CC[C@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 58195412 APVKFVRTMLXBGY-GDBMZVCRSA-N 313.397 4.024 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)c(C)c1 59351608 LBOXBRFZQDRHEO-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CCOc1cc2nccc(Nc3cccc(N)c3)c2cc1OCC 64875382 DQEWAPVTEQFMMD-UHFFFAOYSA-N 323.396 4.358 0 40 DIAB COc1cc(C)c(NC(=O)c2sccc2C2CC2)cc1OC 65625102 JZUDNQCVDAVHRT-UHFFFAOYSA-N 317.410 4.203 0 40 DIAB Cc1nc2nc(S[C@@H]3CCCc4ccccc43)nn2c(C)c1C 84057732 OOSOYEHXWOIZRG-MRXNPFEDSA-N 324.453 4.219 0 40 DIAB CSc1ccc([C@H](O)c2ccc(Br)cc2)cc1 89064961 YHJGPYVOQNNAEP-CQSZACIVSA-N 309.228 4.253 0 40 DIAB CCC[C@H](N[C@@H](C)c1ccc(CC)o1)c1nnc2ccccn12 96477170 VPMCJLLFMSMYMH-ZFWWWQNUSA-N 312.417 4.077 0 40 DIAB CCc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 96586337 RTFLBWIIHRJTBJ-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1 107899509 ZFTSWTWUJNNZMU-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(F)cccc1F 216241942 KMGZSHFWSICTMV-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1nc3ccccc3o1)C2=O 221829970 ZRDLWQKYARPLAE-NCHVAJSOSA-N 301.411 4.314 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225021153 VPKSWWYOYRJWMB-LJQANCHMSA-N 306.361 4.223 0 40 DIAB COc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1C 225854338 YZWBFZDQDQEESE-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 38465 CDWPKMRJQWQWKM-UHFFFAOYSA-N 311.164 4.286 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(Cl)c1 174821 MRVPOPCWVUFBDU-UHFFFAOYSA-N 307.736 4.294 0 40 DIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1 305544 BWHKVVMRWKIEPV-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB O=C(c1cn(CCOc2ccccc2F)c2ccccc12)C1CC1 578886 WUQRZCWAZYXFAI-UHFFFAOYSA-N 323.367 4.452 0 40 DIAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2ccccc2)cc1 1006460 JEPJJTWGZBNJPF-QGZVFWFLSA-N 309.453 4.348 0 40 DIAB CC(C)c1nnc2sc(Cc3cccc4ccccc34)nn12 2219558 MCWYCPVQNQOCNN-UHFFFAOYSA-N 308.410 4.053 0 40 DIAB COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2 2661070 LHUOLVDDERDQNF-UHFFFAOYSA-N 313.422 4.158 0 40 DIAB Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1 2709951 GWAXSVQSMDRLQT-UHFFFAOYSA-N 311.381 4.105 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCCC2 3567121 OIVMRAOHCWQDED-UHFFFAOYSA-N 301.411 4.196 0 40 DIAB CCN(CC)CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1 4699225 CEGNVVBQHXHNIS-UHFFFAOYSA-N 318.461 4.224 0 40 DIAB CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 4988535 QQRMGUJAOCQHRL-UHFFFAOYSA-N 316.744 4.121 0 40 DIAB O=C(CN1CCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 5043966 MAVXRPCYLZJUGF-OTXOEQGISA-N 323.480 4.190 0 40 DIAB CCc1nc(Nc2cccc(O)c2)c2oc3ccccc3c2n1 5249634 JGJMYIDUQGSWKE-UHFFFAOYSA-N 305.337 4.388 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc3sc(C)nc3c2)c(C)c1 5267967 VIAOQYOQJKOUAF-UHFFFAOYSA-N 310.422 4.403 0 40 DIAB CCc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 5465522 DGYVWXDYVLPIPG-UHFFFAOYSA-N 309.287 4.400 0 40 DIAB CC(C)(C)c1ccc2c(S(N)(=O)=O)cc(C(C)(C)C)cc2c1 5553338 AUCVFYRDIVWCJZ-UHFFFAOYSA-N 319.470 4.082 0 40 DIAB CN1C(=O)/C(=C/c2cccs2)c2cc(Br)ccc21 6497686 CLFDXVAANPRTMV-XYOKQWHBSA-N 320.211 4.028 0 40 DIAB CCCCCc1nnc(NC(=O)CSc2ccccc2)s1 6597875 SFDJPPLHLNJXMV-UHFFFAOYSA-N 321.471 4.002 0 40 DIAB CC(C)(C)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 8007845 SHBMGNJUMRLVTF-UHFFFAOYSA-N 308.381 4.307 0 40 DIAB C[C@H](NC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 8726743 QCRYDOVYNQDIMR-JTQLQIEISA-N 324.758 4.179 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2c(=O)s1 12274404 ZDEIFUOJXDLWAX-UHFFFAOYSA-N 315.781 4.167 0 40 DIAB CC(C)c1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12594369 SYOAOCQHAXZQJT-GFCCVEGCSA-N 317.820 4.298 0 40 DIAB C[C@@H]1CCc2ccccc2N1Cc1nc(-c2ccccc2)no1 12595445 JGCADWCBDZKCRG-CQSZACIVSA-N 305.381 4.078 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13370724 GCKMFJBGXUYNAG-MJUPKGCFSA-N 302.458 4.269 0 40 DIAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccccc1Cl 16130714 CASREKLAECWYJO-UHFFFAOYSA-N 321.829 4.020 0 40 DIAB Cc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20045107 OHEWXTSTIYHJFW-MRXNPFEDSA-N 322.452 4.479 0 40 DIAB CC[C@H](C(=O)Nc1cccc(Cn2ccnc2)c1)c1ccccc1 25177997 VLFSHHXSGNPSML-IBGZPJMESA-N 319.408 4.064 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013360 WKKZJLIYMDIYEY-UHFFFAOYSA-N 311.429 4.210 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1C 32476814 ADMICGKWKPTAHJ-QFBILLFUSA-N 323.436 4.265 0 40 DIAB Cc1ccc(-c2ccsc2C(=O)NCc2cccnc2)cc1 32819386 JZGGQMJTFZJNKA-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 40097686 QILQZWOLWWARPI-MRVPVSSYSA-N 324.705 4.285 0 40 DIAB Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c(C)n1 48364129 MEWQMIYBGFQVEH-UHFFFAOYSA-N 319.202 4.022 0 40 DIAB CC(C)CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 57692833 UGOHHZZBWXHYKA-IBGZPJMESA-N 306.409 4.338 0 40 DIAB Cc1cc(CN2CCC[C@H]2Cc2cccc3ccccc23)on1 60890509 ZUOBLDPPXPELLS-SFHVURJKSA-N 306.409 4.343 0 40 DIAB Cc1cc(N)c2oc(-c3ccccc3Br)nc2c1 70461427 VOOJBTMQDHMDAG-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB CCOc1ccc(CCCNC(=O)c2cccc(Cl)c2)cc1 78578925 CFRKHFKHCKOYJS-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB CCCN(C(=O)c1ccoc1)[C@@H]1C[C@H](OCC)C12CCCCC2 78874859 YCJKRRATOMSJDY-SJORKVTESA-N 319.445 4.260 0 40 DIAB Cc1nc(CSc2nncs2)oc1-c1ccc(Cl)cc1 84061524 UDBAYBKRBFGSFG-UHFFFAOYSA-N 323.830 4.447 0 40 DIAB C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccon1 95460500 UCJBOJDQJIBCAF-ZDUSSCGKSA-N 316.364 4.458 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(F)cc(F)cc1F 95964190 XDRBROUNSWLTBU-CQSZACIVSA-N 323.314 4.208 0 40 DIAB Cc1cc(Br)c(OCc2ccccc2)c(C=O)c1 218104150 QDZGREAILFGAMG-UHFFFAOYSA-N 305.171 4.149 0 40 DIAB Cc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1Cl 225079213 FGKAFLZVXZZIAD-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCCCO[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111297 XUUIGDZTHOXSTI-SFHVURJKSA-N 314.381 4.291 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225613013 DJFIWACDZCPQIB-GOSISDBHSA-N 307.434 4.174 0 40 DIAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccccc1 225759001 GORDYBFSWJYHHC-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB CCCCCC[C@H](C(=O)c1ccc(OC)cc1)N1CCCC1 299817314 TVTBLEFOUUDRBK-GOSISDBHSA-N 303.446 4.313 0 40 DIAB in-vitro O=C(NCc1cncc(C2CC2)c1)c1cccc2ccccc12 575619819 OGWSWEFTFIVHFC-UHFFFAOYSA-N 302.377 4.042 0 40 DIAB CN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CCC1 584907109 KQZLOEMXDSMBLE-UHFFFAOYSA-N 306.818 4.088 0 40 DIAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1c[nH]c2ccccc12 1775995604 AZVBQMVCNOVRAK-CALCHBBNSA-N 308.425 4.200 0 40 DIAB O=C(c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 46179 HSMAFUQGSWLSGX-UHFFFAOYSA-N 307.374 4.231 0 40 DIAB CCC[C@@H](C)OC(=O)C[C@H](c1ccccc1)N1CCCCC1 1569407 RRODMYNEUWOESW-SJLPKXTDSA-N 303.446 4.336 0 40 DIAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)c(F)c1 2515035 JLZJAYUNRAEWFA-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)CN(C)Cc2ccccc2)cc1 3422373 BCSJHSXWKBQZRC-MRXNPFEDSA-N 310.441 4.271 0 40 DIAB O=C(Cc1ccccc1)Nc1cccc(Cl)c1N1CCCC1 6045523 CLZQSRXTGGJQES-UHFFFAOYSA-N 314.816 4.121 0 40 DIAB O=C(Oc1ccc2c(c1)CCC2)c1cnc(Cl)c(Cl)c1 6322657 HXBCIBHKGFEYSG-UHFFFAOYSA-N 308.164 4.096 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1 6396854 RJLPRTSARBQTRG-ZHACJKMWSA-N 312.369 4.060 0 40 DIAB FC(F)Oc1ccc2ccccc2c1CNCc1cccnc1 6650859 BJSFOYLHJCKNAB-UHFFFAOYSA-N 314.335 4.126 0 40 DIAB Clc1ccccc1-c1nnc(SCc2ccncc2)o1 12139712 GAGQKPAOHWZLJW-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)c(Cl)c1 12920776 LIGQLYRHWSQIHB-ZDUSSCGKSA-N 323.845 4.030 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc2ccccc2c1 12926145 GNHSVNSEDFEMRX-OAHLLOKOSA-N 319.404 4.268 0 40 DIAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 14039807 NTYVEEVNNXIWMV-LLVKDONJSA-N 321.779 4.448 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)c2cccc3ccccc23)c1O 14117753 ZIXIYGXSWRIVJI-ZDUSSCGKSA-N 321.376 4.045 0 40 DIAB Clc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c(Cl)c1 14196646 AGKZKKKAAZXHSZ-CHWSQXEVSA-N 315.269 4.497 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1ccc(NC(C)=O)cc1 15960919 KBBDBBFLMMQKQC-UHFFFAOYSA-N 310.397 4.022 0 40 DIAB Clc1cc2c(c(CN3CC[C@@H]4CCCC[C@@H]4C3)c1)OCOC2 16046983 ORDWTQMJVXHERZ-UONOGXRCSA-N 321.848 4.219 0 40 DIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1c[nH]c2ccccc12 21836777 NTVWKHQNDBAXTB-ZDUSSCGKSA-N 310.372 4.069 0 40 DIAB O=C(/C=C/c1ccc(Br)o1)NCCC1=CCCCC1 22651204 KBVTYAABUUTMFP-VQHVLOKHSA-N 324.218 4.062 0 40 DIAB Oc1ccc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 29530936 XLCNHTWGCBAISX-UHFFFAOYSA-N 322.330 4.190 0 40 DIAB CN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCCc2ccccc21 29883153 UYVQPYBPGVBWLD-INIZCTEOSA-N 311.450 4.386 0 40 DIAB COc1cccc2cc(C(=O)N[C@H]3CCCc4ccccc43)oc12 30870424 WVEBTLJQEIFIHD-INIZCTEOSA-N 321.376 4.249 0 40 DIAB Cc1nc(-c2ccc(Oc3nnc(C)c4ccccc34)cc2)no1 32907689 TZFMLVOVYWWVQC-UHFFFAOYSA-N 318.336 4.089 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)o1 40034339 GISGNQSFTKVAEU-YJBOKZPZSA-N 323.436 4.184 0 40 DIAB COc1ccc(-c2cc(C(=O)O)cc3sccc23)cc1OC 40164187 XFOZDNOYLXRDEW-UHFFFAOYSA-N 314.362 4.284 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 40478350 IJWLUPVUKWAYMI-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB c1ccc(COc2ccc(OCC[C@H]3CCCCN3)cc2)cc1 42773039 ANBSFWNLFHOQPW-GOSISDBHSA-N 311.425 4.177 0 40 DIAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1Cl 45891580 ISOZYJHRXXRKPV-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB O=C(Nc1ccc(N2CCCCC2)cc1)NC1CCCCC1 57530697 RDOHLMQKGIZCMK-UHFFFAOYSA-N 301.434 4.131 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2)cn1 72215083 LZCRGBAWRYWLEX-UKRRQHHQSA-N 319.449 4.046 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)cnc1Cl 72217787 JEBKXIACTOOXNG-HNNXBMFYSA-N 300.789 4.021 0 40 DIAB CCSc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cn1 72303327 JZJBOYAAYOOSAG-DYVFJYSZSA-N 312.438 4.027 0 40 DIAB COc1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1-c1ccccc1 84636279 JLVWAGJZOHQVND-CQSZACIVSA-N 309.409 4.233 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1ccc(F)cc1 89212780 BYTDPTQQKFPTIN-OAHLLOKOSA-N 308.397 4.027 0 40 DIAB CC[C@H](NC(=O)C(F)=C(C)C)c1ccccc1OC(F)F 89947924 ISCBORUXCFHGPP-NSHDSACASA-N 301.308 4.119 0 40 DIAB O=C(c1ccccn1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206879327 KEVCWQWBOAHHOZ-HNNXBMFYSA-N 314.816 4.145 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COC 224684199 PPAVFLYUQFRHBY-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CC(C)(C)OC(=O)N(Br)Cc1ccc(F)c(F)c1 1504245211 NPJCNOLTVSKKMB-UHFFFAOYSA-N 322.149 4.012 0 40 DIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccs1 75467 UXBMRQZAXMDSOZ-UHFFFAOYSA-N 315.316 4.418 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCc2ccccc21 140066 VPMMVEONLTVGLR-RISCZKNCSA-N 310.224 4.167 0 40 DIAB CCc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 206981 GXWOCXZAADIEOC-UHFFFAOYSA-N 301.345 4.203 0 40 DIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 510747 ZCWOAIVETXRMSA-OAHLLOKOSA-N 311.425 4.240 0 40 DIAB CC(C)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1 3230493 KFKMWCBMEIBPDD-UHFFFAOYSA-N 303.402 4.174 0 40 DIAB CCc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 3513505 FNYCTQJAOJWHFM-UHFFFAOYSA-N 322.360 4.021 0 40 DIAB Fc1cccc(F)c1-n1c(CN2CCCC2)csc1=S 4054513 LWYDDCLGQDQBBL-UHFFFAOYSA-N 312.410 4.142 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 4696277 UHPFOSYDGULRIP-OAHLLOKOSA-N 318.461 4.370 0 40 DIAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Br)cc1 5559382 IDGLJBJXNIZLAM-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB Cc1nnc(-c2ccco2)c2cn(-c3cccc(Cl)c3)nc12 6188473 VZAMRVGVMIXBKM-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB CCN1CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 6438642 NZOLRXNSWUPNDS-YCQAMALFSA-N 319.533 4.464 0 40 DIAB COc1ccccc1CNC(=S)Nc1ccc(C(C)C)cc1 7517883 CVPZLAWKQCZSOF-UHFFFAOYSA-N 314.454 4.305 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)c(C)c1 7796258 DVZOHJUIUQCNIY-ZWNOBZJWSA-N 300.427 4.330 0 40 DIAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@H]1c1ccc(F)cc1 9095229 QKCKQHZWKQUQLG-SFHVURJKSA-N 323.371 4.272 0 40 DIAB CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 9516830 BPOLBYLBIPESAE-KBXCAEBGSA-N 314.404 4.284 0 40 DIAB CCCc1cc([C@@H]2CCCCCN2Cc2cccc(C)n2)no1 12143951 KAMMVGJJLTUKEC-IBGZPJMESA-N 313.445 4.448 0 40 DIAB O=C(NCCc1ccccc1)c1cccc2c3c([nH]c12)CCCC3 12229186 UPDVKENQULABPG-UHFFFAOYSA-N 318.420 4.019 0 40 DIAB O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 12480830 QVFUNEBSLGINDD-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB CCc1ccccc1NC(=O)c1sc(-c2ccccn2)nc1C 12923485 NATXFQCQJYLUSQ-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB CCn1nc(C)cc1NC(=O)c1ccc(-c2ccccc2)cc1 13656426 OCDOZYPTUPHETA-UHFFFAOYSA-N 305.381 4.131 0 40 DIAB CC(C)C(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835599 MQABNDKLHCRMMY-KRWDZBQOSA-N 312.438 4.433 0 40 DIAB COc1ccccc1NC(=O)Nc1cccc(Br)c1 18176739 DWRPPSZCWIBOSH-UHFFFAOYSA-N 321.174 4.102 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 20029716 GXIWDIRMSKMWJI-LLVKDONJSA-N 323.314 4.205 0 40 DIAB Cc1nc(-c2cccc(NC(=O)COc3ccccc3)c2)cs1 23135792 UGWMGWDESXYYBO-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB C[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(F)cc1 23411007 KXVZHFUUFFAPDS-GFCCVEGCSA-N 321.392 4.075 0 40 DIAB CCc1cc2c(Oc3ccc(-c4nnco4)cc3)ncnc2s1 24057763 UCYNVSYZIKTAJX-UHFFFAOYSA-N 324.365 4.096 0 40 DIAB CC(C)(C)Nc1nn(CN2CCCCCCC2)c(=S)s1 24527776 IYBQQDNTVLTCDB-UHFFFAOYSA-N 314.524 4.108 0 40 DIAB Cc1ccc2sc(NC(=O)c3cccc(F)c3F)nc2c1C 28221482 KENWEVQVQCDTAE-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1 30266915 IYYAWMNHHVXMSB-MRXNPFEDSA-N 316.404 4.372 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)C1(C)C 32843230 HUINDZQGANDZRK-HZPDHXFCSA-N 305.849 4.237 0 40 DIAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 36358550 WEVQLIJSLPRWJX-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB COc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)c(OC)c1 40247968 NGGRPLIEYYEWGT-HNNXBMFYSA-N 313.180 4.092 0 40 DIAB CCOc1ccc(NC(=O)N(C)Cc2sccc2C)cc1 43145259 AYMDXLPMFNIORA-UHFFFAOYSA-N 304.415 4.119 0 40 DIAB Cc1ccc(CNC(=O)CCCCC(=O)c2ccccc2)cc1 48183367 UOGHZWPVWFHSJB-UHFFFAOYSA-N 309.409 4.055 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 48416036 VNCRHOBZLVGHEA-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1 55704070 COTNCCMYWPQUHZ-ZDUSSCGKSA-N 301.411 4.205 0 40 DIAB Cc1ccc(N(C)C(=O)CCCOc2ccccc2Cl)cc1 60352071 OERWNETVYCUTKL-UHFFFAOYSA-N 317.816 4.470 0 40 DIAB COc1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1-c1ccccc1 64909027 JLVWAGJZOHQVND-AWEZNQCLSA-N 309.409 4.233 0 40 DIAB Brc1cccc(C2(NCc3cscn3)CCC2)c1 71924564 ZXKFNMJFHJMSJN-UHFFFAOYSA-N 323.259 4.075 0 40 DIAB Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)ccn1 72219487 MZCKTWQGXLPQIP-SFHVURJKSA-N 310.397 4.254 0 40 DIAB C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1c1nccs1 72285832 ISFNZCCWGACJCG-GDBMZVCRSA-N 314.454 4.076 0 40 DIAB FC(F)Oc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 72311936 QCCXZFQUMZGMEA-MRXNPFEDSA-N 304.340 4.020 0 40 DIAB CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 76056334 UCZCMIPOXXIESO-GUXCAODWSA-N 324.468 4.137 0 40 DIAB Cc1nc(C[S@@](=O)Cc2c(Cl)cccc2Cl)cs1 78556188 JWINAMLUGPHSEJ-SFHVURJKSA-N 320.266 4.207 0 40 DIAB CCCc1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 95948871 JSABYBFHKDYELV-UHFFFAOYSA-N 317.454 4.365 0 40 DIAB C[C@@H](NCCCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 95995445 PHMREHRVUUJDDC-KNQAVFIVSA-N 322.496 4.119 0 40 DIAB CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@@H](CSC)C2)c1 96418016 HDMZHXMDMZJHTA-UONOGXRCSA-N 322.474 4.081 0 40 DIAB CC(C)(C)c1nc(CNCCCOC2CCCCC2)cs1 97491779 RYLUHYAXLUMBCM-UHFFFAOYSA-N 310.507 4.270 0 40 DIAB Cc1nc2ccc(NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2s1 102267238 QXVMQAIJWQIGMO-COPLHBTASA-N 317.483 4.080 0 40 DIAB CCOc1ccccc1CNC(=O)c1ccccc1SCC 113958277 TWOWLHFWNKKVOT-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 113959584 CNSBWVBHYATLFJ-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB c1ccc(-c2cnc(Nc3cc([C@@H]4CCCN4)ccn3)s2)cc1 143327242 MCWXTOTZXJVXAQ-HNNXBMFYSA-N 322.437 4.373 0 40 DIAB CC(C)c1ncc(C(=O)N(c2ccccn2)C2CCCC2)s1 152074579 MBKVGDWDKYIGFX-UHFFFAOYSA-N 315.442 4.251 0 40 DIAB Cc1cccc(CC(=O)OC(C)(C)C)c1NC(=O)OC(C)(C)C 199829315 PCXOAJQNFBLTLC-UHFFFAOYSA-N 321.417 4.226 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc(F)cc1 219742266 AFCAOVPUXAMTDJ-ZDUSSCGKSA-N 301.361 4.104 0 40 DIAB CCCC[C@H](CC)CNC(=O)C1(c2ccccc2)CCOCC1 225118261 HZIGXKRZUZUNDO-KRWDZBQOSA-N 317.473 4.067 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1ccc(C)cc1C 225363046 AYEZXAFKOVSHPJ-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225364311 VFFDDKZYHFAITJ-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCCCC1 225757087 KCKWWQAQFBSMQZ-HNNXBMFYSA-N 302.462 4.375 0 40 DIAB C[C@]1(CC(=O)O)[C@@H](CC(=O)O)CC[C@@H]2[C@H]1CC[C@@]1(C)CCC[C@H]21 245240397 PVBHAUBUOVCYIN-MBLOEGTOSA-N 322.445 4.185 0 40 DIAB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1F 408574641 AYUSNBVXPNAXLC-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB O=C(CCc1ccccc1F)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001866 OSAUYRCWWMJUGV-ROUUACIJSA-N 313.416 4.392 0 40 DIAB Cc1ccc2c(C)cc(SCC(=O)OC(C)C)nc2c1C 420767 AOBSGLQYGJWUDP-UHFFFAOYSA-N 303.427 4.204 0 40 DIAB CCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 550034 JPJAJKLCYRZVNH-UHFFFAOYSA-N 317.410 4.330 0 40 DIAB CCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1 882032 IXBYSHNIINAYHZ-UHFFFAOYSA-N 308.406 4.477 0 40 DIAB CCCC(=O)Oc1c[nH]c2cc(Cl)c(Br)cc12 2569710 VZAORBVTZPOGMO-UHFFFAOYSA-N 316.582 4.289 0 40 DIAB in-vitro COc1cc(Cl)c(C)cc1NC(=O)C1(c2ccccc2)CC1 3422397 KZNTWIXVKGYUHG-UHFFFAOYSA-N 315.800 4.327 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc(OC)c(C)c(OC)c1 3548556 YTZRPMXOQDTSSU-UHFFFAOYSA-N 313.397 4.135 0 40 DIAB CCOc1ccc2c(c1)S/C(=C\c1cccs1)C(=O)N2 6000375 OGMGVTYAWCGHHP-ZROIWOOFSA-N 303.408 4.232 0 40 DIAB Fc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 7571987 VANBOOPTOUPIKG-MRXNPFEDSA-N 300.402 4.190 0 40 DIAB Cc1ccccc1-c1nc2cc(NC(=O)C(F)(F)F)ccc2o1 8054030 KNILUPXYULYGLR-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)Nc2ccccc2C(F)(F)F)C1 8271464 KDXYFNKTADMWQH-QWRGUYRKSA-N 300.324 4.215 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 10696797 YUQNOBANYHJYNX-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(C)c1 13709596 BSUCOOHFJPJGQO-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 15389198 DTBXCFPGFMIBCS-ZDUSSCGKSA-N 301.361 4.104 0 40 DIAB O=C(O)c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 20544670 VKYGGGIBIUAWIQ-UHFFFAOYSA-N 303.720 4.180 0 40 DIAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1 24762495 FGHPFZWLDUTMFK-JLHYYAGUSA-N 322.408 4.420 0 40 DIAB Cc1c(C(=O)O)sc2nc(-c3ccc4ccccc4c3)cn12 33418297 OCRZVXIONOORTJ-UHFFFAOYSA-N 308.362 4.223 0 40 DIAB C=CC(=O)OCCCCCCCCCCCCOC(=O)C=C 34069401 WBELHNUIWMNAFH-UHFFFAOYSA-N 310.434 4.346 0 40 DIAB O=C(NCc1ccccc1Cl)Nc1cccc2ncccc12 40103577 GTTXTTWXVHNNAE-UHFFFAOYSA-N 311.772 4.210 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(-c2ccco2)cs1 40111369 UVFUYGIZINDSEV-UHFFFAOYSA-N 323.377 4.066 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2cccc(Cl)c2Cl)cc1 43209979 WSVHCSSYEJYAON-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCc3sccc3[C@@H]2C)c1 43237779 SORCTNXBGDPXLY-NSHDSACASA-N 314.410 4.102 0 40 DIAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCCC2)cc1 52987811 UCPIWZDIDQNYFP-SFHVURJKSA-N 301.430 4.329 0 40 DIAB CCCCN1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219165 ZIQHDBYDGUAYJJ-GOSISDBHSA-N 301.478 4.317 0 40 DIAB CCCOc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1 72331690 URODTGGHPCYRNJ-UHFFFAOYSA-N 321.779 4.198 0 40 DIAB CC(C)Oc1cccc([C@H](O)c2cccc(Br)c2)c1 89064957 GISSSONOXBLHNN-MRXNPFEDSA-N 321.214 4.318 0 40 DIAB C[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccncc1 97370690 GGNFQJPVHIYTIO-LBPRGKRZSA-N 313.788 4.241 0 40 DIAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cccn2)c(F)c1 103723887 VYGJXVLRKDUKBF-UHFFFAOYSA-N 323.371 4.135 0 40 DIAB O[C@@]12O[C@@]34CCCC[C@H]3C[C@]13CCC[C@@H]2C[C@H]1CCCC[C@@]13O4 105365147 GMYSGDXPXKUMOX-MAPHFDCTSA-N 318.457 4.131 0 40 DIAB C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)c1csc2ccccc12 164189731 FFKCRQWBLQYZHV-SNVBAGLBSA-N 321.398 4.116 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COC 224683255 SRCOHIWMMROWMM-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)c(N)c1 225421024 TVOAJJBXAHAQGI-UHFFFAOYSA-N 311.429 4.276 0 40 DIAB Nc1nnc(-c2cccc(OCc3cccc4ccccc34)c2)o1 225681867 XNAYPIGCFDHCKV-UHFFFAOYSA-N 317.348 4.051 0 40 DIAB Cc1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1 226240378 MZBPCXPUSDBDLP-UHFFFAOYSA-N 316.832 4.097 0 40 DIAB Cc1c(C(=O)C(F)(F)Br)cccc1C(F)(F)F 575360124 DVQMVVXTNFPWLT-UHFFFAOYSA-N 317.051 4.184 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 178712 WAEWFERLXSACJA-UHFFFAOYSA-N 317.458 4.385 0 40 DIAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C 416684 HQWXUWXVAHNRJK-UHFFFAOYSA-N 323.849 4.050 0 40 DIAB Cc1ccc([C@@H]2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)cc1 1016604 PGJFNBYODRCHKH-IRLDBZIGSA-N 314.384 4.211 0 40 DIAB CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 1855529 HUMMYNAPKUOTDG-UHFFFAOYSA-N 320.432 4.066 0 40 DIAB CCCSc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3 2274602 QFHMOKRHYMSNOR-OAHLLOKOSA-N 323.487 4.017 0 40 DIAB O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CC=CC2)c1 2515413 AOLRLNQNNYUKCD-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C 3812685 LVSCWEDTMWAASP-FVUMXFQUSA-N 318.457 4.367 0 40 DIAB biogenic Cc1nc(N2CCCCC2)c2oc3ccc(Cl)cc3c2n1 5278201 DEALMLZYZKZCHT-UHFFFAOYSA-N 301.777 4.328 0 40 DIAB Clc1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 6178760 MEFSILBRQUHFBM-UHFFFAOYSA-N 301.802 4.417 0 40 DIAB O=C(Nc1nc2cc(Cl)ccc2o1)c1cccc(Cl)c1 6549490 YKSGIIHTBSYVHC-UHFFFAOYSA-N 307.136 4.387 0 40 DIAB Cc1cc(Br)ccc1NC(=O)c1cccc(F)c1 6649553 VDOCQPPFUHHGAQ-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 7706030 HGIYSPLYRNHPEJ-CQSZACIVSA-N 311.400 4.124 0 40 DIAB CCc1ccc2oc(-c3cc(NC(=O)C(C)C)ccc3O)nc2c1 9547399 BXYNFCGZAUXREX-UHFFFAOYSA-N 324.380 4.357 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 11915689 YQHVLRJNYKHKTR-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 13738999 HBVDZCSDNKZYBX-IZZDOVSWSA-N 323.783 4.382 0 40 DIAB C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccco1 14070394 MRSXIYVEMUFMSM-ZDUSSCGKSA-N 303.361 4.342 0 40 DIAB Nc1cc(Br)ccc1Oc1ccc(F)c(F)c1 14631051 XSEVZGAEUROJHC-UHFFFAOYSA-N 300.102 4.102 0 40 DIAB COc1cccc2cc(C(=O)N[C@H](C)CCc3ccccc3)oc12 19887904 KCUCXUUGOVFWSE-CQSZACIVSA-N 323.392 4.193 0 40 DIAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 20105320 JFWMKZIXNBXTTO-QGZVFWFLSA-N 322.452 4.195 0 40 DIAB CCn1c(NC(=O)Nc2cc(C)ccc2C)nc2ccccc21 27923346 SRZBNRVRYZMGFR-UHFFFAOYSA-N 308.385 4.317 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1)c1cccs1 32201173 LJGFIOPKGDDHEI-UHOFYVGMSA-N 301.411 4.355 0 40 DIAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cc1 32622702 RPERDTYIJZTKTA-UHFFFAOYSA-N 321.380 4.307 0 40 DIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1 32796231 CILITMJCLJOKAK-INIZCTEOSA-N 300.789 4.021 0 40 DIAB O=C(CCN1CCCCCC1)Nc1cc(Cl)ccc1Cl 32870660 YKHMJNNNYNKVJN-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB CSc1ccc(CN(C)C(=O)/C=C/c2cccs2)cc1 40159575 BFKMXYCCDJLKMN-MDZDMXLPSA-N 303.452 4.142 0 40 DIAB Cc1ccccc1-c1cc(-c2nc(-c3ccc(F)cc3)no2)[nH]n1 46914414 IPHVXCNBTAMZQY-UHFFFAOYSA-N 320.327 4.241 0 40 DIAB Cc1csc(-c2ccc(C(=O)N[C@@H](C)c3cccnc3)cc2)n1 58277803 PVLYPMACUZRVEV-ZDUSSCGKSA-N 323.421 4.005 0 40 DIAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc(Cl)cc1Cl 58343555 FIVWCGMASBPULY-UHFFFAOYSA-N 324.211 4.161 0 40 DIAB CCCCCCNC(=O)Nc1c(C)nn(-c2ccccc2)c1C 65588448 VDAFWEUURJYQEG-UHFFFAOYSA-N 314.433 4.191 0 40 DIAB Cc1nc(CN2CCC[C@H]2Cc2ccccc2Cl)oc1C 66425249 OEYVADIEZSJYRJ-HNNXBMFYSA-N 304.821 4.152 0 40 DIAB Cc1cc(C(=O)Nc2c(F)cccc2Oc2ccccc2)on1 69739347 WLLGEUREYVAYOV-UHFFFAOYSA-N 312.300 4.167 0 40 DIAB C[C@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 96316010 OLZKROHTNRKMIX-NSHDSACASA-N 304.187 4.191 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2nc1C 103521092 QLTRCKARDKMNRT-KKUMJFAQSA-N 309.413 4.011 0 40 DIAB O=C(c1ccc(Cl)c(Cl)c1)n1cc(CO)c2ccccc21 140916587 QOSYOZPLNDOYKT-UHFFFAOYSA-N 320.175 4.129 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225693989 VSKNJDDDYYYMKY-GOSISDBHSA-N 307.434 4.316 0 40 DIAB CCCCOc1ncc(NC(=O)[C@@](C)(CC)OCCC)cc1C 225904027 OBDJALZQWFLXNK-GOSISDBHSA-N 322.449 4.103 0 40 DIAB COc1ccc(Cc2nnc(-c3cc4ccccc4[nH]3)s2)cc1 257173283 IMEPNSUNIJIFBJ-UHFFFAOYSA-N 321.405 4.286 0 40 DIAB Cc1cc(C)c2c(c1)CC(C)(C)[C@@H]1CC3(CCNCC3)CO[C@@H]21 257304685 SMSMXEMXKHXPTN-IEBWSBKVSA-N 313.485 4.333 0 40 DIAB Cc1cccc(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 390831740 UMCZZNHUQFEGAY-QGZVFWFLSA-N 319.514 4.450 0 40 DIAB COc1cccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408558203 SDZBAXMLUKQZIJ-MRXNPFEDSA-N 319.813 4.127 0 40 DIAB Cc1cccc([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)c1 543414275 VWPWXFMQDIBUAJ-INIZCTEOSA-N 323.465 4.436 0 40 DIAB CCC(CC)C(=O)Nc1cccc(NC(=O)C(CC)CC)c1 484422 NSHLUBWSJMNLTE-UHFFFAOYSA-N 304.434 4.436 0 40 DIAB c1ccc(COc2ccc(C[C@@H]3CC4CCN3CC4)cc2)cc1 977960 SQMCJQNDEWEACK-HXUWFJFHSA-N 307.437 4.292 0 40 DIAB Cc1ccccc1C(=O)N1c2ccccc2OC[C@@H]1C(C)(C)C 1392405 HZCUNBNUSSDQPN-GOSISDBHSA-N 309.409 4.449 0 40 DIAB O=C1C[C@@H](c2ccc(Cl)cc2)S[C@H]2Nc3ccccc3N12 1470120 ODADNGYTFVFHAX-HOCLYGCPSA-N 316.813 4.260 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 3523372 WIJNIVODEAPWRW-UHFFFAOYSA-N 318.298 4.368 0 40 DIAB O=C(Nc1cccnc1)Nc1cc(C(F)(F)F)ccc1Cl 4774182 AAXKEJDNBMXEMP-UHFFFAOYSA-N 315.682 4.398 0 40 DIAB O=C(Sc1nccc(-c2ccccc2)n1)c1ccc(F)cc1 5948090 RHBTYPAIIAESGG-UHFFFAOYSA-N 310.353 4.215 0 40 DIAB CSCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 6609581 FHOBXXIHXNKVMC-GOSISDBHSA-N 311.450 4.357 0 40 DIAB Fc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 7571986 VANBOOPTOUPIKG-INIZCTEOSA-N 300.402 4.190 0 40 DIAB O=C1CCc2cc(-c3csc(Cc4ccccc4)n3)ccc2N1 8042436 VMDAIBLGBPFKIB-UHFFFAOYSA-N 320.417 4.286 0 40 DIAB O=c1[nH]c(/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc12 8436559 MYDQQSPLWFMICJ-CMDGGOBGSA-N 316.282 4.112 0 40 DIAB CC(=O)c1cccc(NC(=O)c2c(C)nc3ccccc3c2C)c1 9645579 MJGTYABNWHLWIY-UHFFFAOYSA-N 318.376 4.307 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C2 11424002 SRBPRNSZYYKREF-HNNXBMFYSA-N 321.804 4.443 0 40 DIAB O=C1C[C@H](c2ccccc2)c2sc(Nc3ccccc3)nc2N1 15109958 LAINAZUYFAUXLK-CQSZACIVSA-N 321.405 4.361 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 19083512 DWSNZJJRBMJQGC-NCXUSEDFSA-N 323.484 4.379 0 40 DIAB c1ccc(-c2cnc(Nc3ncccn3)n2-c2ccccc2)cc1 20799857 RJCDDLHFTHVWJH-UHFFFAOYSA-N 313.364 4.073 0 40 DIAB CCc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 22254817 BDFKBIIZXJAZMH-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCCC(C)(C)C1 22516159 WVQGELQMYQVANQ-CQSZACIVSA-N 309.837 4.146 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccccc1F 32753681 CTARJSHLFSTTLN-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213499 PZIHCZVHGJDIED-HIFRSBDPSA-N 319.449 4.364 0 40 DIAB FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCCNC3)n2)cc1 72348407 CAEPBRBHYYGFKD-CQSZACIVSA-N 320.358 4.158 0 40 DIAB Cc1ccc([C@H](c2ccccn2)N(C)Cc2cccnc2)cc1 95431941 GMLAAMYRMIRJMU-HXUWFJFHSA-N 303.409 4.006 0 40 DIAB COc1ccc(C(=O)c2ccc(OC(C)(C)C)cc2)cc1F 95916094 FQLFJRDHVHHMKR-UHFFFAOYSA-N 302.345 4.243 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225034584 YEKPOPBMNHGRHZ-LJQANCHMSA-N 312.409 4.303 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2)cc1C 225788620 SBOIRZJVPRPZEL-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB CCCCCC(=O)Nc1cc(N)ccc1N1CCC(C)CC1 226253598 KOPGQIOJOKYCKY-UHFFFAOYSA-N 303.450 4.024 0 40 DIAB Cc1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226309404 MXLLVBWWORUXNP-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cc2ccccc2[nH]1 253471675 DXYYMYKGQKGTMU-ZDUSSCGKSA-N 318.376 4.275 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C)CCc1ccccc1 408576160 SFJDRXDXWPLMBX-CVEARBPZSA-N 313.466 4.305 0 40 DIAB Cc1noc(C)c1-c1ccc2nc(C3CC3)c(C)c(C(=O)O)c2c1 572781683 YMZVMAAHYIBBMR-UHFFFAOYSA-N 322.364 4.391 0 40 DIAB O=C(c1ccccc1Cl)N1CCc2sc(Cl)cc2C1 575615072 AVKXFUNDTCUIQY-UHFFFAOYSA-N 312.221 4.253 0 40 DIAB O=C(NC[C@H](c1ccsc1)c1ccco1)Nc1cccs1 618256881 NFZVRBTYNCXKML-GFCCVEGCSA-N 318.423 4.356 0 40 DIAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 41707 HVQZEBUNCDREEA-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB CC1=CC(C)(C)Nc2ccc(OC(=O)Cc3ccccc3)cc21 332733 VHFBMAKHNZTQAA-UHFFFAOYSA-N 307.393 4.442 0 40 DIAB C[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 1628298 RVSSFXUENQNQJK-WGBDHRSASA-N 302.458 4.413 0 40 DIAB Fc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 4161601 HDPYBQDOEYSKJW-UHFFFAOYSA-N 315.351 4.260 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 4688534 BWOUAZDBKUTKQQ-UHFFFAOYSA-N 324.424 4.003 0 40 DIAB CC[C@@H](C)c1ccc(NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 4999026 SBAVNJRBLYVRCF-MGPQQGTHSA-N 306.475 4.006 0 40 DIAB COc1cc2c(cc1OC)[C@H](C)N(Cc1ccc(C)cc1)CC2 5425639 YGNVKLJXSFNFRU-HNNXBMFYSA-N 311.425 4.132 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)cc1 6647716 CGFFZAQJRKBPEB-BJMVGYQFSA-N 324.405 4.265 0 40 DIAB Cc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 7011011 GPMPMHYCYOSEOM-UHFFFAOYSA-N 306.475 4.021 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl 7218542 CZEINCONGRNWEV-AWEZNQCLSA-N 322.191 4.247 0 40 DIAB CCOc1ccccc1NC(=O)c1cc(-c2cccs2)on1 11917499 RWMXLQOBJRSHDX-UHFFFAOYSA-N 314.366 4.054 0 40 DIAB CCN(CC)c1ncc(CN2CCc3sccc3[C@@H]2C)s1 12241196 UCXZSRWSNSZFAX-LBPRGKRZSA-N 321.515 4.170 0 40 DIAB COc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1Cl 14111349 XWEJYJHJOQUPGX-UHFFFAOYSA-N 314.772 4.391 0 40 DIAB Cc1cccc(C(=O)NC(=S)Nc2ccccc2C(C)C)c1 14784318 ZQQLDBXURRYWKE-UHFFFAOYSA-N 312.438 4.245 0 40 DIAB O=C(Nc1ccc(F)cc1F)Nc1cccc2c1CCCC2 16430894 UXNHFTSSEZWPJH-UHFFFAOYSA-N 302.324 4.488 0 40 DIAB C[C@@H]1CCCN(C2CCN(Cc3cc4ccccc4o3)CC2)C1 19496484 SRIWSXVOPGZLMR-MRXNPFEDSA-N 312.457 4.129 0 40 DIAB Cc1ccc(-n2ccnc2S[C@H]2CCCCC2=O)cc1C 26044487 YBUHEULWZBVZJP-INIZCTEOSA-N 300.427 4.093 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1 26203777 MHOCZJKHOPSOMM-APWZRJJASA-N 311.425 4.338 0 40 DIAB O=C(c1ccc(C2OCCO2)cc1)c1cc(Cl)cc(Cl)c1 43212688 SHVJBYNOXFBTAB-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB COc1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1F 44194856 NAONHZMDCHVOEA-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB CC1CCN(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)CC1 44910335 QYDZWXUKDLQUMW-UHFFFAOYSA-N 322.452 4.195 0 40 DIAB CC(=O)Nc1c(C)cc(C)cc1NC(=O)c1cc2ccccc2o1 45222015 ICJIZGNTJAZBIW-UHFFFAOYSA-N 322.364 4.260 0 40 DIAB COc1cc(Br)c2oc(Cc3ccccc3)nc2c1 45920266 JRJHMLYFKIWIBL-UHFFFAOYSA-N 318.170 4.190 0 40 DIAB c1ccc2oc(CCCSc3ncc4ccccn34)nc2c1 48262027 SCXQRXFVTFXAIL-UHFFFAOYSA-N 309.394 4.200 0 40 DIAB COc1ccc2oc(C(=O)Nc3c(C)cc(C)nc3C)c(C)c2c1 58215884 DVHADXYIWLYABF-UHFFFAOYSA-N 324.380 4.322 0 40 DIAB c1ccc(-c2nccc(N3CCS[C@H]4CCCC[C@@H]43)n2)cc1 75108469 VLDJJEJDQIHDNE-HOTGVXAUSA-N 311.454 4.008 0 40 DIAB CC[C@@H](C)C[C@@H](C)NC(=O)c1sccc1Br 88301817 BPQHKMWNERHHIA-RKDXNWHRSA-N 304.253 4.065 0 40 DIAB Cc1nn(-c2ccc(F)cc2)c(O)c1Cc1ccccc1Cl 100072257 ZRMMOPSMZLNOPT-UHFFFAOYSA-N 316.763 4.270 0 40 DIAB Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@@H](C3)C4)cc1Cl 100222725 VWGIEFJCEYWSSK-NOZYUVCASA-N 303.833 4.299 0 40 DIAB COC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 109769997 SZORQFKDXLYZQP-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB CCCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 222796110 WZUSDFRSSFOBDO-UHFFFAOYSA-N 311.425 4.227 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCCC2)cc1 224094165 XIXAPYMHYNDPAS-QGZVFWFLSA-N 316.489 4.229 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)c(C)c1 224951146 URSBMDFVGWNGCK-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CCOc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1Cl 225135240 HKWRPONJADUHCS-ZDUSSCGKSA-N 317.816 4.272 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCC1 225655531 NMYOAGHRZVCOCD-UHFFFAOYSA-N 319.445 4.460 0 40 DIAB C[C@@H](O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226274212 UKOXDHRBNSBLLK-SECBINFHSA-N 310.180 4.299 0 40 DIAB Cc1cccc(C(=O)Nc2ccccc2-c2ccc(C(=O)O)o2)c1 226356514 MXAZQXPCABUKQC-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB COc1nc(C)cc(C)c1CSc1ncnc2ccsc12 553365630 UUGKGIIMUWPJDM-UHFFFAOYSA-N 317.439 4.004 0 40 DIAB CCCSc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583652034 XFQGCOPDQAHKIY-UHFFFAOYSA-N 315.394 4.139 0 40 DIAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(C)=O 132106 PMMHSRRACZUPFU-UHFFFAOYSA-N 323.801 4.204 0 40 DIAB Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)c(C)c1 570448 ZFZIZLIZMZHMRG-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1 2889426 ZWTDQYDEOKABAQ-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB aggregator O=C(NCCc1ccc(Cl)cc1Cl)OCc1ccccc1 3269260 GHHQUXZXAGZDJE-UHFFFAOYSA-N 324.207 4.462 0 40 DIAB CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 3279773 OTGJXRXTAJETOQ-UHFFFAOYSA-N 313.401 4.245 0 40 DIAB Cc1ccc(NCC(=O)Nc2cccc(C)c2C)c(Cl)c1 3405967 SHSLNACJQCZNGQ-UHFFFAOYSA-N 302.805 4.316 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc12 4330845 UDJONPPUYWKPHL-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CC(C)C(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340122 XODSWUGVRPBNFC-UHFFFAOYSA-N 308.333 4.021 0 40 DIAB biogenic O=C(Nc1ccc(Br)cc1)C1[C@H]2CCC=CCC[C@@H]12 5023149 NVXYQEIQUDSTGK-YIONKMFJSA-N 320.230 4.380 0 40 DIAB C[C@@]12CC[C@@H](O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5029797 CGAUTMWHFOZKBU-FQBPZLHKSA-N 306.490 4.141 0 40 DIAB O=C1N[C@@H](c2cccc3ccccc23)Nc2ccc(Cl)cc21 5187690 ZGIFEPWYKKDPTK-KRWDZBQOSA-N 308.768 4.347 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1 5380129 ZDXJVGGNOFOJAU-UHFFFAOYSA-N 301.361 4.141 0 40 DIAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)O 5533840 LJFJPDHXAWVDSA-XEZPLFJOSA-N 304.386 4.002 0 40 DIAB O=C(Nc1c(C(=O)O)oc2ccccc12)c1ccccc1Cl 6052043 KZPNAPJHAKWLAO-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Cl)c(Cl)c1 6453114 AUYQRTZSBGFPFT-UHFFFAOYSA-N 313.209 4.191 0 40 DIAB C[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1Cl 6566376 XGHOGRQGQKPKTK-GXFFZTMASA-N 315.244 4.100 0 40 DIAB C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccccc1 7457273 AERFWTOXMPUYMB-GFCCVEGCSA-N 305.830 4.137 0 40 DIAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)cc1 11327561 GRGAJUJWZRLFDR-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 12939492 OMPMKMNPOUQAPM-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB O=C(CCCc1nc2ccccc2s1)N1CCc2ccccc21 14909381 OFLKHJIWSIZAIZ-UHFFFAOYSA-N 322.433 4.208 0 40 DIAB CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccco1 15590246 RCJVUROBSKMEIM-CQSZACIVSA-N 323.179 4.284 0 40 DIAB Cc1ccccc1C(=O)N1CCc2cc3cccc(C)c3nc21 15841997 BNFRUQGAABSBQA-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2)cc1 20495192 VGIFRUFDQNDYNR-LBPRGKRZSA-N 303.789 4.230 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)on1 31333679 MCZUEOPYFPBYFM-OAHLLOKOSA-N 320.392 4.093 0 40 DIAB Cc1ccc(NC(=O)CCOc2cccc(F)c2)c(Cl)c1 31551258 LAYIMOSZKRVFPT-UHFFFAOYSA-N 307.752 4.195 0 40 DIAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)c1 40095432 BPWQOBOOWCWKMS-GFCCVEGCSA-N 304.340 4.464 0 40 DIAB CN(Cc1ccsc1)C(=O)Nc1cccc2c1CCCC2 40098145 RDGABGIOUIUJSA-UHFFFAOYSA-N 300.427 4.291 0 40 DIAB O=C(c1ccc2c(c1)CCC2)N1CCCCC[C@H]1c1ccncc1 49764679 DBFXORPHWPATGE-FQEVSTJZSA-N 320.436 4.328 0 40 DIAB C[C@H](C1CC1)N(Cc1ccccc1)Cc1nnc(-c2ccco2)o1 52921186 IUAIYOMIIJEIHH-CQSZACIVSA-N 323.396 4.130 0 40 DIAB OC1CCC(NCc2ccc(-c3ccc(Cl)cc3)s2)CC1 58053991 RLEFBVZLVSDZTC-UHFFFAOYSA-N 321.873 4.462 0 40 DIAB CCCCO[C@@H](C)C(=O)N(c1ccc(OC)cc1)[C@@H](C)C1CC1 60306481 MVQNPLBVEHFPCI-GJZGRUSLSA-N 319.445 4.032 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1cccc(Cl)c1 67786610 BWKIEQSLZYJVTE-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB c1ccc(-c2csc(CN[C@H]3CCc4ccccc4C3)n2)cc1 84564645 BJNJCCCXHQLMDG-SFHVURJKSA-N 320.461 4.457 0 40 DIAB O=C(NCc1ccccc1-c1ccsc1)NC1CCCC1 96122949 INIKTFYFCKMHGU-UHFFFAOYSA-N 300.427 4.157 0 40 DIAB C[C@@H](CSC(C)(C)C)Nc1ccc2c(c1)NC(=O)CS2 97037146 GFHCQBSPAFEKEV-JTQLQIEISA-N 310.488 4.063 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@H]4CO 100066623 HHAMKMUMKLXDFQ-JTPITWTBSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro CCOc1ccc2ccccc2c1C(=O)N[C@@H](C)Cc1ccoc1 206662881 SUOFVNRISRZNJB-AWEZNQCLSA-N 323.392 4.193 0 40 DIAB Cc1ccc(/C=C/C(=O)NCc2cccc3ccccc23)cc1 222829852 VHOSSWZAXSTGML-BUHFOSPRSA-N 301.389 4.478 0 40 DIAB CCC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223217109 UJWCEDFSTBUNEC-SWLSCSKDSA-N 305.418 4.041 0 40 DIAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225717002 IIIWKOFQFZQWKE-IFXJQAMLSA-N 319.445 4.318 0 40 DIAB CC[C@H](C)OCc1c(Br)cnn1C1CCCC1 408715773 DMRDJFQPHQNIGY-JTQLQIEISA-N 301.228 4.076 0 40 DIAB COc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1OC 210357 SGFJGSDNSWBWAC-UHFFFAOYSA-N 310.397 4.225 0 40 DIAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(F)cc1 328687 VZFHWOBDULSTBL-UHFFFAOYSA-N 324.380 4.106 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 384246 PLOOZJFSOPZZTQ-UHFFFAOYSA-N 320.436 4.438 0 40 DIAB COc1ccc(Cc2nc(C)cc3cc(OC)c(OC)cc23)cc1 484938 SJXVPLRGVDUEJY-UHFFFAOYSA-N 323.392 4.160 0 40 DIAB biogenic CC(=O)Oc1ccc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519858 SRZZJSRTPWVXAD-VCGKYCNPSA-N 300.398 4.148 0 40 DIAB O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1 1384055 YAGPULHIQXIETH-UHFFFAOYSA-N 320.845 4.013 0 40 DIAB CC(=O)c1nc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 1406491 INLZZXZUAYCLJG-UHFFFAOYSA-N 318.298 4.306 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2648722 QRMIIFRUGCOUBX-JKSUJKDBSA-N 311.425 4.456 0 40 DIAB CCCCCCC(=O)[C@H]1O[C@@H]1CCCCCCCCC(=O)O 4410610 UMXHXBIKJIORIB-SJLPKXTDSA-N 312.450 4.499 0 40 DIAB O=C(Nc1ccc(Cl)c(Br)c1)c1ccccc1 4680170 ZJCNJAVBLXEBHR-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1 5154835 WFGMBPRJTSZZAB-CYBMUJFWSA-N 308.406 4.290 0 40 DIAB CCCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 5785284 PLTBJEXOLLSNDS-ZDUSSCGKSA-N 314.381 4.365 0 40 DIAB O=C(COc1ccccc1)N(c1ccccc1)c1ccccc1 6529780 ZCKXDSSFTCSMOY-UHFFFAOYSA-N 303.361 4.430 0 40 DIAB Cc1ccc(C)c(OCCC(=O)NCc2ccc(Cl)cc2)c1 7608755 WZONRPHQFXBCSJ-UHFFFAOYSA-N 317.816 4.042 0 40 DIAB CSc1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 7653664 KDOKFKFHSVNRPD-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1F 7954833 HMDATRYIPWJTJD-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB CCCCn1nc(NC(=O)CC)c2cc3ccc(C)cc3nc21 9328043 POSOHGAUCXPIJK-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB CCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235620 UDLQLZIPWXXZIT-UHFFFAOYSA-N 308.834 4.066 0 40 DIAB CC[C@H](C)n1c(S)nnc1COc1ccc(C(C)(C)C)cc1 11692606 DNANMRXBHBBJQT-LBPRGKRZSA-N 319.474 4.414 0 40 DIAB CSc1ncccc1C(=O)N[C@@H](C)c1cccc2ccccc12 13018087 FSNFGNQXNGHBDQ-ZDUSSCGKSA-N 322.433 4.448 0 40 DIAB O=C(CCn1ccc2ccc(F)cc21)Nc1ccc2[nH]ccc2c1 13734389 FJEMTUQAHZKVOB-UHFFFAOYSA-N 321.355 4.291 0 40 DIAB CC(C)c1noc2ncc(C(=O)Nc3ccccc3Cl)cc12 14207022 OKIUGUGIJDMCMC-UHFFFAOYSA-N 315.760 4.252 0 40 DIAB C[C@H]1CCN(C(=O)c2cccc(F)c2)c2ccccc2S1 14700625 UUPIFJTWUSINSQ-LBPRGKRZSA-N 301.386 4.357 0 40 DIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(F)cc(F)c1 32903507 HTJXSGWSRABJQA-QGZVFWFLSA-N 318.367 4.061 0 40 DIAB Cc1nc2cc(NC(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 32907652 JRRBUFLSIJWDCU-UHFFFAOYSA-N 322.324 4.230 0 40 DIAB COc1cccc(COCc2ccc3ccccc3c2)c1C(=O)O 35973483 RNCGWYYJNNHBNB-UHFFFAOYSA-N 322.360 4.263 0 40 DIAB Cc1nc(NC(=O)C2CC2)sc1Cc1ccccc1Cl 36639374 VJJKZRACQHHRGY-UHFFFAOYSA-N 306.818 4.044 0 40 DIAB Cc1cc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)c(C)o1 36709457 VOUWXFUCBMKOTN-UHFFFAOYSA-N 310.378 4.176 0 40 DIAB Fc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1 62662772 QCUOPNCWRREJIR-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc2[nH]ccc2c1 72221772 NRZWPMQSYWXXIV-UHFFFAOYSA-N 316.401 4.046 0 40 DIAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 78457982 NZZMMZHGMLGFAA-HOTGVXAUSA-N 311.425 4.202 0 40 DIAB c1ccc(OC[C@H](NCc2cscn2)c2ccccc2)cc1 78663136 MBMWXUNAMSYSSO-SFHVURJKSA-N 310.422 4.053 0 40 DIAB COc1ccc2cc(C(=O)c3ccc(OC)c(OC)c3)ccc2c1 95917088 INUQVYBIRMGSQV-UHFFFAOYSA-N 322.360 4.097 0 40 DIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1C2 108924836 CQYWEMBOCPBRBK-JUFZMCDQSA-N 311.347 4.260 0 40 DIAB Cc1cnc([C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C2CC2)s1 110626536 RXAYWWLQLSTREV-FUEDEBDSSA-N 302.443 4.409 0 40 DIAB Cc1cccnc1NC(=S)NCCCSC1CCCCC1 225592041 XJLJJMLPDABRKP-UHFFFAOYSA-N 323.531 4.132 0 40 DIAB CN1CCC[C@H](CN(Cc2ccccc2)Cc2ccccc2)C1 408731709 PHXWXURONCXHFY-NRFANRHFSA-N 308.469 4.031 0 40 DIAB C[C@H](CC(=O)N1CCC(=C(F)F)CC1)Cc1cccc(F)c1 585127327 XJVRDGLEKSFDDJ-LBPRGKRZSA-N 311.347 4.167 0 40 DIAB Clc1cccc(C[C@@H]2NCCC[C@@H]2Nc2ccccc2)c1 585262277 SECXDIVCGRESLQ-ROUUACIJSA-N 300.833 4.115 0 40 DIAB O[C@@](Cc1cccnc1)(c1ccccc1)c1ccc(Cl)cc1 75807 NRTPWWLOZYKDOU-IBGZPJMESA-N 309.796 4.214 0 40 DIAB Cc1ccc(-c2csc(NC(=O)/C=C/c3cccs3)n2)o1 190222 AKXDIFHFCCSPFE-FNORWQNLSA-N 316.407 4.425 0 40 DIAB Cc1ccccc1-c1nnc(NC(=O)C2CCCCC2)s1 818975 PILBAFINYHUBCH-UHFFFAOYSA-N 301.415 4.032 0 40 DIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccc1 3177817 LCWPOWFEAIIOBY-MDZDMXLPSA-N 305.299 4.035 0 40 DIAB C[C@H](Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3326501 RTGQPBZSSRRZQP-JTQLQIEISA-N 309.196 4.433 0 40 DIAB CC(=O)c1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1 3605519 BHTKLRBYMBFGHK-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB CCn1cc(CC[C@@H](C)NC(=O)c2ccco2)c2ccccc21 3765592 JFXKGIMIQNXHNV-CQSZACIVSA-N 310.397 4.005 0 40 DIAB C[C@H](CC(=O)O)CC(=O)NC1CCCCCCCCCCC1 4690751 SAJXJEPCXFRKAQ-HNNXBMFYSA-N 311.466 4.277 0 40 DIAB CC(=O)Nc1ccc(Nc2ncnc3c2oc2ccccc23)cc1 5219500 HEZYIMVKIOXOHL-UHFFFAOYSA-N 318.336 4.078 0 40 DIAB CCc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 5392662 STTANEUTKKFASE-UHFFFAOYSA-N 317.454 4.347 0 40 DIAB Cc1csc(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 6847091 PHIIWGILAAYXOI-QMMMGPOBSA-N 309.441 4.416 0 40 DIAB CC(C)c1ccccc1NC(=S)NCc1ccccc1F 8685137 LLQHICTXWWZCJV-UHFFFAOYSA-N 302.418 4.436 0 40 DIAB Cc1ccc(F)c(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 9677882 QBUNPKAMHOLFIQ-INIZCTEOSA-N 301.386 4.098 0 40 DIAB O=C(NCCCc1ccccc1)c1ccc(N2CCCCC2)cc1 10110346 RKBQCMHYBPSGPV-UHFFFAOYSA-N 322.452 4.040 0 40 DIAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1 12493043 QNWCBBUBPKXDKU-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB CCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12738152 YEXQNJXXISBZFW-UHFFFAOYSA-N 314.332 4.101 0 40 DIAB Cc1ccc([C@@H](NC(=O)c2ccncc2)c2ccccc2)cc1C 14596875 BRVZMYZOOVYYLR-FQEVSTJZSA-N 316.404 4.218 0 40 DIAB CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cnccn2)C(C)C)cc1 19296031 PHKSJOIMCHLTBY-KDOFPFPSSA-N 311.429 4.117 0 40 DIAB C/C=C/C=C/C(=O)OCc1cc2ccc(C)cc2nc1Cl 21467225 QMNJWQICCGCYRM-VNKDHWASSA-N 301.773 4.372 0 40 DIAB Cc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1 22053691 WSSALCDFCDIESW-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB C[C@H](Sc1nnc(-c2cccnc2)o1)c1ccc(F)cc1 23893914 DYMIHMNXTYZCKX-JTQLQIEISA-N 301.346 4.124 0 40 DIAB O=C(Cc1cccs1)Nc1ccc(OC2CCCC2)cc1 29024545 YFDPXHFLSTXBAR-UHFFFAOYSA-N 301.411 4.251 0 40 DIAB CC(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccccc2F)s1 40150610 AAKOOKVNTBVIRF-JTQLQIEISA-N 322.409 4.026 0 40 DIAB CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 41122858 JQQLGKXYJRILJK-VXGBXAGGSA-N 319.430 4.012 0 40 DIAB CC1CCN(c2nc(N3CCCCCC3)c3ccccc3n2)CC1 41149315 GUQUOKSXIXGKGA-UHFFFAOYSA-N 324.472 4.247 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(C)c2C)cc1F 44194842 JSMIASWCBLPNFB-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB CC(C)(C)c1ccc(Oc2cccc([C@H](N)CC(=O)O)c2)cc1 44216269 XHJLREKPQSDIJK-QGZVFWFLSA-N 313.397 4.251 0 40 DIAB Cc1ccc([C@H](O)c2ccc(Br)cc2)cc1Cl 63021802 AJLKRSKAZLMMSV-CQSZACIVSA-N 311.606 4.493 0 40 DIAB COc1ccccc1[C@H]1SC(C)=Nc2c1c(O)nn2C(C)C 71284948 CFCUTGIXEBZEQF-CQSZACIVSA-N 317.414 4.064 0 40 DIAB CCCCOc1ccc(CNC(=O)CC2CCCCC2)cc1 80343775 XUTMHMFLRLUNLL-UHFFFAOYSA-N 303.446 4.452 0 40 DIAB COc1ccc(COc2cc(F)ccc2Br)cc1 160273241 ZEPLNHPVMIVCSQ-UHFFFAOYSA-N 311.150 4.176 0 40 DIAB CCOc1ccc(C(=O)N(CC)Cc2ccccc2)cc1Cl 223316210 CMBXBBOQDHWDSW-UHFFFAOYSA-N 317.816 4.401 0 40 DIAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COC(C)C 224423242 GSTFPWQQFRHYSD-UHFFFAOYSA-N 313.397 4.181 0 40 DIAB Nc1ccc2oc(-c3ccc(Cl)c(Br)c3)nc2c1 226248438 SQRUNTUWLACZGJ-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 226265761 CCDRICFWFOLMAL-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB Clc1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@@H]3CCCC[C@H]32)cc1 257284779 PEGLNXLVCZXCRE-HBRVENNYSA-N 319.876 4.238 0 40 DIAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)O)ccc3O2)cc1 257295391 QYCQPAGRTQLYDV-NRFANRHFSA-N 324.420 4.373 0 40 DIAB CN(C(=O)NC(=S)c1cccc2ccccc12)c1ccccc1 408732572 RYEYKGLFFHNPBW-UHFFFAOYSA-N 320.417 4.361 0 40 DIAB Cc1cccc(NC[C@H](O)Cn2c(C)c(C)c3ccccc32)c1C 96674 PNLKKVRLATWQLK-SFHVURJKSA-N 322.452 4.348 0 40 DIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 3191639 WVJIXLNZIMOQCA-GUYCJALGSA-N 307.397 4.080 0 40 DIAB O=C(/C=C/c1cccs1)NCc1ccc(Cl)cc1Cl 3275971 MEBMECOSOKYFAN-AATRIKPKSA-N 312.221 4.385 0 40 DIAB Cc1cc(NC(=S)Nc2ccccc2Cl)n(C(C)(C)C)n1 3298695 XOWADHCEOVJMFV-UHFFFAOYSA-N 322.865 4.409 0 40 DIAB CC(=O)Nc1ccccc1CCCCc1ccccc1NC(C)=O 3845164 NZFGYKCLSRKVMX-UHFFFAOYSA-N 324.424 4.169 0 40 DIAB biogenic FC(F)(F)c1nc(NCc2ccccc2)nc2c1CCCCC2 3896199 DGLSJBMQODRGRQ-UHFFFAOYSA-N 321.346 4.376 0 40 DIAB NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 3905414 XALTUCOIORLBHQ-LZOZONPPSA-N 318.420 4.082 0 40 DIAB Cc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 4753397 AWCUBVVIJALBEI-UHFFFAOYSA-N 320.483 4.146 0 40 DIAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)C)cc1 5627879 RYJKBAZGXCNDNJ-UHFFFAOYSA-N 307.397 4.107 0 40 DIAB CN(C(=O)NC(=S)c1ccccc1)c1ccc2ccccc2c1 6226866 RSMHPLQKLMUVRL-UHFFFAOYSA-N 320.417 4.361 0 40 DIAB COc1ccc2ccc(OC(=O)Cc3ccccc3F)cc2c1 6540367 ZKRSASRQLXVPCD-UHFFFAOYSA-N 310.324 4.136 0 40 DIAB O=C(NOCc1ccccc1)Nc1ccc(Cl)cc1Cl 6927445 XAQOFCKQQBNZRO-UHFFFAOYSA-N 311.168 4.247 0 40 DIAB CCSc1ccccc1C(=O)Nc1cc(C)ccc1OC 7684311 WYPUGPPYJUNOIB-UHFFFAOYSA-N 301.411 4.368 0 40 DIAB CCCc1ccc(NC(=O)COc2ccc(OCC)cc2)cc1 8159239 XQXQGXLTHQFKPF-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 8368439 RSZBMGRLIBQOHQ-FUHWJXTLSA-N 308.425 4.130 0 40 DIAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2cnnc2s1 9576754 OWQZMRCYICFGAK-LLVKDONJSA-N 324.384 4.144 0 40 DIAB c1ccc(CCSc2nnc(NC3CCCCC3)s2)nc1 10308176 UBURGVNRTZYYFY-UHFFFAOYSA-N 320.487 4.013 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 10697620 ABDZLZFBNFBWML-UHFFFAOYSA-N 301.389 4.428 0 40 DIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCC1=CCCCC1 12788960 HWQJTLHIZXPXBJ-UHFFFAOYSA-N 323.436 4.471 0 40 DIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1cccs1)C3 13227576 VQUQBHRQZYAUMW-UHFFFAOYSA-N 310.378 4.119 0 40 DIAB Clc1cccc(OCCSc2nc3ccccc3[nH]2)c1 15275567 WSZBYPJWYUTZBL-UHFFFAOYSA-N 304.802 4.387 0 40 DIAB O=c1[nH]c(Nc2ccc(Br)cc2)cc2ccccc12 26571989 AGJNSGSNZJWAIS-UHFFFAOYSA-N 315.170 4.034 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 27917637 GXHAXKQTRAMTME-UHFFFAOYSA-N 319.408 4.422 0 40 DIAB O=C(c1cccs1)N(Cc1ccccc1F)c1ccccn1 27991603 VDHGVGPEPKWTEV-UHFFFAOYSA-N 312.369 4.129 0 40 DIAB Cc1ccsc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 28334390 CQBIJAAEGINHCV-UHFFFAOYSA-N 313.407 4.017 0 40 DIAB CCCCc1nc2ccccc2n1C[C@@H](O)c1ccccc1F 28909244 REPMQUXKBMEPGK-GOSISDBHSA-N 312.388 4.252 0 40 DIAB COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OC(F)F 29198586 DPUDVZAQJSRCLL-UHFFFAOYSA-N 321.323 4.166 0 40 DIAB Nc1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3)no2)c1 37641938 RUVQIZFNBADDID-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB COC(=O)c1cc(Nc2cc(C)cc(C)c2)c2ccccc2n1 38486576 CLSPQUPOGPUMBJ-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB CC(C)(C)[C@H](NC(=O)NCCc1ccccc1)c1cccs1 48333034 ZEAMVZLJRGXJOO-MRXNPFEDSA-N 316.470 4.377 0 40 DIAB CC(=O)N1CN(C2CCCCC2)Cc2c1sc1c2CCCC1 54072953 SGGCISWSSYFWNQ-UHFFFAOYSA-N 318.486 4.086 0 40 DIAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)on1 58700322 CZSASBBXIMPQDD-NSHDSACASA-N 304.777 4.002 0 40 DIAB CCC(C)(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 64866661 RFGJOLUPFHUKIM-UHFFFAOYSA-N 308.834 4.382 0 40 DIAB O=C(Nc1ccncc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 69811289 ADKKMPRVKSNGLN-GOSISDBHSA-N 320.396 4.322 0 40 DIAB Cc1ccc([C@@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)s1 71908104 CDQOWQJOHBHSSB-GWCFXTLKSA-N 318.269 4.304 0 40 DIAB O=C(c1ccccc1)c1ccc(N2CCc3ccccc32)nc1 72225805 MFPNNONSGJUAQS-UHFFFAOYSA-N 300.361 4.007 0 40 DIAB CCOc1ccc(SCc2nc(-c3ccsc3)no2)cc1 84809386 ADZWFLWWEMLAND-UHFFFAOYSA-N 318.423 4.489 0 40 DIAB COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(Cl)cc1 85389264 LCBCFNZGQPJBOD-UHFFFAOYSA-N 316.788 4.333 0 40 DIAB Cc1ccc(SCC(=O)Nc2cncc3ccccc23)cc1 89639232 CJKJAQQGQCFKIU-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB CC(C)c1cccc(NC2CCN(C(=O)c3ccoc3)CC2)c1 95981656 KMTXOWKQDBBFRF-UHFFFAOYSA-N 312.413 4.120 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1cccs1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169682043 GCAODHPIRMXSSB-ULWKEAJMSA-N 321.492 4.150 0 40 DIAB O=C(c1cccnc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206878730 IYAWRRGKOAMBRC-MRXNPFEDSA-N 314.816 4.145 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)cc1C 222990623 YOTPCAXESVLBRG-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCC1=CCCCC1 224469662 MTLKBCQTVGNBOO-QGZVFWFLSA-N 301.430 4.077 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCC1 225707492 OMHHQVJNAGRDSK-UHFFFAOYSA-N 305.418 4.070 0 40 DIAB Cc1cnc(NC(=O)CSc2cccc3ccccc23)s1 409182536 MHNLPMKVNBLCTB-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB Cc1cc(C(F)(F)F)n2ncc(-c3ccc(Cl)cc3)c2n1 208554 OEJZTTSXHHWQDO-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB CCCN(CCC)c1nc(-c2ccccn2)nc2ccccc12 530007 CUPVITJALNDBTF-UHFFFAOYSA-N 306.413 4.318 0 40 DIAB O=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2)o1 542552 VPGFJRUBGHVRSX-UHFFFAOYSA-N 301.729 4.123 0 40 DIAB Cc1ccc(-c2csc(N[C@H]3OC(=O)c4c#cccc43)n2)cc1 796171 SBRHUPNEMUHZLO-INIZCTEOSA-N 320.373 4.000 0 40 DIAB Clc1ccc(CNCCCNCc2ccc(Cl)cc2)cc1 1691141 VYFQGLQFOKTBIT-UHFFFAOYSA-N 323.267 4.263 0 40 DIAB Cc1c(C)c(C)c(CN2CC(=O)c3ccccc3C2=O)c(C)c1C 1735319 WSXLUEVRGJRIPR-UHFFFAOYSA-N 321.420 4.067 0 40 DIAB COc1ccc(OCCOC(=O)c2cccc3ccccc23)cc1 2636592 BUCRZVODKHLEMK-UHFFFAOYSA-N 322.360 4.084 0 40 DIAB O=C(CSC1CCCC1)Nc1ccccc1Br 3257947 CJTGOVHZRDKZQA-UHFFFAOYSA-N 314.248 4.063 0 40 DIAB CC1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 3571946 KNYJRCCYPMXABX-LLVKDONJSA-N 315.244 4.052 0 40 DIAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1C 4672631 KGOYUCMYEQHICE-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CSc1nc(NCc2ccco2)c2c3c(sc2n1)CCC3 5033150 IYJGFAYOEVPODN-UHFFFAOYSA-N 317.439 4.107 0 40 DIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1 5652499 GSWUWBXKDCVAEV-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB CN(c1nc(-c2cccnc2)nc2ccccc12)C1CCCCC1 5659624 XAEHVHAYPVMIGW-UHFFFAOYSA-N 318.424 4.461 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc21 6010758 FGGMLGJXZQKPDD-OAHLLOKOSA-N 317.388 4.196 0 40 DIAB Cc1cc(OC(=O)c2ccccc2Cl)n(-c2ccccc2)n1 6850871 ULAOZYMNCSZILM-UHFFFAOYSA-N 312.756 4.053 0 40 DIAB O=C(NCCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 9220953 XOPMCMLQYIWNAB-UHFFFAOYSA-N 323.440 4.041 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1cccc(C)c1C 12534248 YVMUXYIAHWVGDE-OAHLLOKOSA-N 312.413 4.060 0 40 DIAB CN(Cc1ccco1)C(=O)c1ccccc1Nc1ccccc1 12737675 RVFOFIBZFBQJPF-UHFFFAOYSA-N 306.365 4.295 0 40 DIAB O=C(Nc1cccc(O)c1)c1ccccc1OCc1ccccc1 14035533 VCHQSSADSABHOM-UHFFFAOYSA-N 319.360 4.224 0 40 DIAB COc1ccc(-c2nnc(CSc3ccc(F)cc3)o2)cc1 14170049 GTUFSIFCJKSZAQ-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccc(O)cc2)CC(=O)N3)C1 15085175 CBXGBCJPIFTWIN-YGRLFVJLSA-N 313.422 4.053 0 40 DIAB CCCc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 19525493 KFGPLBFGCQNYKL-KBXCAEBGSA-N 318.486 4.498 0 40 DIAB Cc1occc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22021193 PBEPVHXZNAPYAX-UHFFFAOYSA-N 313.353 4.272 0 40 DIAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccccc1F 22468692 DCYACHZLVIKMGW-CYBMUJFWSA-N 312.388 4.144 0 40 DIAB CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27662138 JXPBKNOQGIPTJI-IBGZPJMESA-N 316.489 4.074 0 40 DIAB c1ccc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)cc1 40460673 YPHZNAAIBIVDRG-CQSZACIVSA-N 311.410 4.135 0 40 DIAB Cc1cc2oc(=O)cc(CN(C)[C@@H](C)C3CC3)c2cc1C(C)C 58394077 TZWLATPMIYYXJE-AWEZNQCLSA-N 313.441 4.455 0 40 DIAB CC(C)[C@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 58689633 NUGCDXFOXSAZCZ-JTQLQIEISA-N 320.285 4.387 0 40 DIAB O=C(c1ccc(F)c(F)c1)N1CCC(c2cccs2)CC1 75157020 HIEZFNWNLDXITK-UHFFFAOYSA-N 307.365 4.046 0 40 DIAB C[C@@H](N[C@H](C)c1cc2cc(Cl)ccc2o1)c1cnccn1 90034789 ICAQPQIFCILBNM-GHMZBOCLSA-N 301.777 4.288 0 40 DIAB Fc1ccc(COC2CCN(CCc3cccs3)CC2)cc1 91889325 GKAKSBNANZPRIC-UHFFFAOYSA-N 319.445 4.111 0 40 DIAB O[C@@H](c1cc(F)cc(Cl)c1)c1ccccc1Br 95730056 RILBPESELJVUDJ-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Cc1cnc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)s1 96183937 MEXXSPMSAYKMCZ-UHFFFAOYSA-N 318.329 4.228 0 40 DIAB Cc1c(-c2nnc3sc(CC(C)C)nn23)oc2ccccc12 96194436 SKNWVCOFJSJJHE-UHFFFAOYSA-N 312.398 4.106 0 40 DIAB CCNC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223869313 MOCSVLVJTHSBIN-UHFFFAOYSA-N 322.437 4.285 0 40 DIAB CCCOC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 225449568 CGBVAWAZQQRBLG-UHFFFAOYSA-N 304.434 4.360 0 40 DIAB Fc1ccccc1NC(=S)NCCCSCc1ccco1 225593354 RRGFIJLSWCMOOC-UHFFFAOYSA-N 324.446 4.029 0 40 DIAB COc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C 235642 AOSSPNVRJMKJNR-HXUWFJFHSA-N 307.393 4.225 0 40 DIAB CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(OCCN)cc1 1591275 OPCKIVCLTXGHRZ-WOJBJXKFSA-N 313.441 4.417 0 40 DIAB O=c1oc2cc(OC/C=C/c3ccccc3)ccc2c2c1CCC2 1797561 KQRSTBFSEDYLCV-VMPITWQZSA-N 318.372 4.374 0 40 DIAB Cc1ccccc1NC(=O)[C@H](Nc1ccccc1C)C(F)(F)F 2590069 OFJDQGUXFALBMG-HNNXBMFYSA-N 322.330 4.285 0 40 DIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3117284 IVPCYBNXBNXPNG-UHFFFAOYSA-N 316.356 4.393 0 40 DIAB Cc1ccc(SCC(=O)N[C@H](C)CCc2ccccc2)cc1 3318296 AMPIBHPQHFNGRM-MRXNPFEDSA-N 313.466 4.225 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(-c3ccccc3C)s2)c1 4070349 ZNBLVMZSGYDGQF-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB C/C(=N\Nc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 5071336 DZODODNGYXZSRJ-DEDYPNTBSA-N 310.788 4.362 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F 5462346 GQAVUGJFAZINAR-UHFFFAOYSA-N 323.342 4.484 0 40 DIAB CCCc1oc2cc(O)ccc2c(=O)c1Oc1ccc(F)cc1 5686262 SXRHSKQJXGYEDX-UHFFFAOYSA-N 314.312 4.383 0 40 DIAB Cc1cc(C)c2[nH]c3nc(SCc4ccccc4)nnc3c2c1 6556570 RRHIHEHYXUWBPY-UHFFFAOYSA-N 320.421 4.415 0 40 DIAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1C(C)C 7738134 LYVWRCAZGHLQNR-UHFFFAOYSA-N 318.442 4.287 0 40 DIAB COc1ccccc1NC(=O)N(C)Cc1ccc(SC)cc1 9314436 AJCBKHDBHUWIMH-UHFFFAOYSA-N 316.426 4.081 0 40 DIAB CSc1ccc(C(=O)Nc2ccc3scnc3c2)cc1 10217642 FIFJDPCSKOBYRK-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB COc1cccc(/C=C/C(=O)Oc2cccc3ccc(C)nc23)c1 13279054 PIJPLAIVXIPIKI-ZRDIBKRKSA-N 319.360 4.171 0 40 DIAB Cc1cc(N2CCC(C(=O)c3ccccc3)CC2)nc(C(C)C)n1 14315347 ZSBNRDOOKWJFJH-UHFFFAOYSA-N 323.440 4.008 0 40 DIAB COc1ccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)no2)cc1 20896730 UHKXXSITNPLBCL-UHFFFAOYSA-N 323.348 4.186 0 40 DIAB Cc1cc(C)c(C)c(SCc2nnnn2-c2ccccc2)c1C 26564088 FNEVLASWTVGIOC-UHFFFAOYSA-N 324.453 4.188 0 40 DIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccccc1F 32102450 CDJZVOVAYWMGMJ-UHFFFAOYSA-N 302.736 4.073 0 40 DIAB CCCCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1ccccc1 36783522 GSIJSRYYXVFYBP-UHFFFAOYSA-N 324.424 4.021 0 40 DIAB Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccccn2)c(Cl)c1 40477700 UAFAOYZEHHPKNP-LBPRGKRZSA-N 303.793 4.235 0 40 DIAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(C)c(Cl)c1 45889151 ZSQFBTUCSVZPDH-UHFFFAOYSA-N 302.805 4.354 0 40 DIAB CC(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1 71282253 ZEUGAFVXIXMRAM-AWEZNQCLSA-N 321.380 4.198 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc2ncccc2c1 71283923 BCSMGAZIXDRDHV-CQSZACIVSA-N 306.369 4.136 0 40 DIAB O=C(Nc1ccc(-n2cccc2)cc1)c1ccc2cc[nH]c2c1 79493815 SHRDOGHPYFHGRR-UHFFFAOYSA-N 301.349 4.211 0 40 DIAB COc1ccc2cc(/C=C3/C(=O)Oc4ccccc43)ccc2c1 83970328 HQRJKDZPOVYIMN-WOJGMQOQSA-N 302.329 4.308 0 40 DIAB O[C@@H]1c2c(sc3c2CCCC3)N=C(S)N1c1ccccc1 85432388 XBWHNZAMJZPMGW-OAHLLOKOSA-N 316.451 4.055 0 40 DIAB O=C(c1cccs1)N(Cc1ccoc1)Cc1cccs1 90747517 KEJRXFBPOCDKJR-UHFFFAOYSA-N 303.408 4.245 0 40 DIAB CC(=O)N(C)Cc1cccc(NCc2ccc(F)cc2Cl)c1 95425755 GVCBUBJMYUOSPR-UHFFFAOYSA-N 320.795 4.070 0 40 DIAB Cc1ncccc1CNc1cc([C@H]2C[C@@H]2C)nn1-c1ccccc1 95455328 MBTXWDXJFMIDEK-KSSFIOAISA-N 318.424 4.311 0 40 DIAB C[C@H](SCC(=O)Nc1ccsc1)c1nc2ccccc2[nH]1 96425200 ORIKXKDXHBVVLW-JTQLQIEISA-N 317.439 4.057 0 40 DIAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc(C)cc3)oc12 97256586 SMOFZTULECTCAF-CYBMUJFWSA-N 309.365 4.241 0 40 DIAB Cn1c(=O)c(Sc2ccc(Cl)cc2)c(O)c2ccccc21 100623600 OGWAVYRLKFWRKO-UHFFFAOYSA-N 317.797 4.049 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103260467 XKSFFQZQYJKWPV-FXPVBKGRSA-N 306.818 4.324 0 40 DIAB CCc1onc(C)c1NC(=O)Nc1ccc(C(C)=O)c(Cl)c1 121564895 NLMZASRNUUKGEI-UHFFFAOYSA-N 321.764 4.045 0 40 DIAB CCSc1ccccc1NC(=O)COc1cccc(Cl)c1 222769837 PGZIWFFQDCAEIV-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N2c3ccccc3C[C@@H]2C)c1 224816404 CUAPUDPXQKYLKH-INIZCTEOSA-N 323.436 4.475 0 40 DIAB Cc1cccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225018786 RMULROGXPGEDGK-IBGZPJMESA-N 306.361 4.223 0 40 DIAB O=C(CCc1ccccc1)N1CCS/C1=C/c1cccs1 225234861 XRTXVCKVYYYQQM-GHRIWEEISA-N 315.463 4.255 0 40 DIAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225716943 IIIWKOFQFZQWKE-AUUYWEPGSA-N 319.445 4.318 0 40 DIAB CCCc1ccc(CN2[C@H]3CC[C@H]2c2cnc(C)nc2C3)s1 247939402 FXTBYBMLCAQIHP-UGSOOPFHSA-N 313.470 4.061 0 40 DIAB CCC[C@H]1[C@@H](O)[C@H](C)[C@@H](c2ccccc2)N[C@H]1c1ccccc1 247940471 GCUZTKRRUTYKPX-MKCNHSFFSA-N 309.453 4.486 0 40 DIAB CCC[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)nc1C 257173347 KRZVKXJMECLJHL-LBPRGKRZSA-N 300.377 4.115 0 40 DIAB CC(C)CN1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257216061 CSYBCMGZNZLOST-INIZCTEOSA-N 316.420 4.240 0 40 DIAB Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(Cl)cc1 162668 OJAZWWUNVFKXOF-UHFFFAOYSA-N 302.713 4.253 0 40 DIAB CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1 813399 HGRHXNRVXGLWLA-UHFFFAOYSA-N 324.409 4.216 0 40 DIAB O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1 1340937 AGWSNYOZTIPZLY-UHFFFAOYSA-N 315.804 4.105 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccccc3Cl)N3N=NNC3=N2)cc1 1826966 XRYVXIKZEMMXSN-INIZCTEOSA-N 323.787 4.288 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1ccccc1C(F)(F)F 3405635 CNYRTIXREHRXTP-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB C[C@H]1CCCN(C(=O)[C@H](C)Nc2ccccc2-c2ccccc2)C1 3435366 FAGNHOOULOGNLN-IRXDYDNUSA-N 322.452 4.413 0 40 DIAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 3504317 DWTYIBNBCRXNHG-UHFFFAOYSA-N 311.381 4.030 0 40 DIAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1 4401896 GDHXZIQAOUBZCC-UHFFFAOYSA-N 316.404 4.034 0 40 DIAB in-vivo Cc1cc2ccccc2n1CC(=O)N[C@H](C)CCc1ccccc1 4687660 JPSJZCFRPNZCKF-MRXNPFEDSA-N 320.436 4.087 0 40 DIAB Cc1cc(C)c2c(C)nn(-c3ccc(Br)cc3)c2n1 4739176 CIHUJBXZBAQAQO-UHFFFAOYSA-N 316.202 4.108 0 40 DIAB Cn1cc(NC(=O)N2CCCc3ccccc32)c2ccccc21 5265771 VGJQVBFYLBAJEI-UHFFFAOYSA-N 305.381 4.163 0 40 DIAB Oc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5484573 SBOYSIYCXHQROH-UHFFFAOYSA-N 321.254 4.439 0 40 DIAB biogenic Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 6316532 VQLJHGHAJAHTQS-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB c1ccc(-c2nc(COc3ncnc4ccccc34)cs2)cc1 6476024 TYHDBZMTHDZHAL-UHFFFAOYSA-N 319.389 4.332 0 40 DIAB CCn1c(=S)n(C(=O)c2ccccc2F)c2ccccc21 6584586 NVJUASVTHQQFCK-UHFFFAOYSA-N 300.358 4.020 0 40 DIAB O=C(O)c1cccc2ncc(-c3cccc4ccccc34)nc12 6744159 LWEHKOVISLXFMR-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB O=C(NCc1cccs1)c1cc(C2CC2)nc2ccccc12 8231510 HHNXWUPZYNWTDK-UHFFFAOYSA-N 308.406 4.104 0 40 DIAB Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)C3CC3)cc2c1 13227751 JJGSGXDQBNWXOM-UHFFFAOYSA-N 316.404 4.214 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2F)c(C)c1 14242524 GAVVROOECWJYSO-UHFFFAOYSA-N 317.429 4.106 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1c(Cl)cccc1Cl 19935050 LUZFLNSGBMWVCT-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1 22523811 NFTOHSZLPVDISV-CZUORRHYSA-N 317.816 4.375 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)c(C)c1 22534634 CJWDWFOXYPUMCN-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cc(OC)ccc1OC 23116246 JNRFJSQIKJRAJO-UHFFFAOYSA-N 313.397 4.081 0 40 DIAB COc1ccc(-c2nnc(SCC3CCCCC3)o2)cc1 32636476 OWJWELKQFVBBIJ-UHFFFAOYSA-N 304.415 4.418 0 40 DIAB CCOC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1 34925920 LRXODQANLUGGCL-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB O=C(c1cnc2ccccc2c1)c1c(F)c(F)c(F)c(F)c1F 45028982 WZNVFLWKSVSLNZ-UHFFFAOYSA-N 323.220 4.161 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CC[C@@H]1c1ccccc1 47747656 LYHTYCWDBUHGEP-QGZVFWFLSA-N 303.365 4.214 0 40 DIAB CCN(C(=O)Nc1ccncc1)[C@@H](C)c1cc2ccccc2o1 56514200 HEVACTFWKMVGRK-ZDUSSCGKSA-N 309.369 4.443 0 40 DIAB C[C@H]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 65493067 FEVCNFHGGZQJBV-HNNXBMFYSA-N 323.440 4.012 0 40 DIAB CC(C)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1 71979115 JEVRSSLRXXABDD-SFHVURJKSA-N 308.381 4.202 0 40 DIAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72213516 SCFOKPYATPPPAT-YJBOKZPZSA-N 323.440 4.269 0 40 DIAB CC(C)N1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214399 KIPOZSXTLANQLJ-HNNXBMFYSA-N 319.449 4.364 0 40 DIAB Cc1nc(NCc2ccccc2)ccc1C(=O)c1ccccc1 72224409 TWRXVGRVDPZRBK-UHFFFAOYSA-N 302.377 4.233 0 40 DIAB COCCCCN(C)[C@H](c1ccc(Cl)cc1)c1ccccn1 95398359 VFNXKOUYOOJQRF-GOSISDBHSA-N 318.848 4.183 0 40 DIAB CCCC1CCC(CNC[C@H]2CCN(CC(F)(F)F)C2)CC1 95430569 ZIOFCMHNVSHYQE-UYSNPLJNSA-N 320.443 4.067 0 40 DIAB O[C@@H](c1cccc(Br)c1)c1ccc(Cl)c(F)c1 95730189 IQHUYMJGLPNXDY-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB CN(C)c1ccc(-c2nc3ccccc3o2)cc1Br 216879433 GRHUWABYJRJHLS-UHFFFAOYSA-N 317.186 4.323 0 40 DIAB Cc1cnc(NCc2ccc(-c3ccccc3C(=O)O)o2)s1 257334496 YGEWPGFOLMCHMZ-UHFFFAOYSA-N 314.366 4.022 0 40 DIAB CC[C@H]1CN1[P@](=O)(Oc1ccc(Cl)cc1)N1C[C@H]1CC 299813975 NFZXLYSASXHKHZ-KAIOVGPNSA-N 314.753 4.015 0 40 DIAB c1ccc(-c2cc(-c3ccccc3)c(N3CCCC3)nn2)cc1 74849 KHNMPUHBSWOSEA-UHFFFAOYSA-N 301.393 4.411 0 40 DIAB O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCCC1 179796 YVKZZKOGSXBRKJ-UHFFFAOYSA-N 300.427 4.253 0 40 DIAB CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 311476 AUKGEVZMXPNOHI-UHFFFAOYSA-N 308.175 4.418 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccnc2cc(OC)ccc12 1687505 UPZNYIXLPMJBBS-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1 3346462 NIUCUIMSWMUESV-VAWYXSNFSA-N 318.376 4.005 0 40 DIAB in-vitro CCc1cccc(CC)c1NC(=O)COc1ccccc1Cl 3514936 OWAQMHVVNOTDOT-UHFFFAOYSA-N 317.816 4.482 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccccc3OC)c(C)c2c1 3561771 RMJHXZCWYNQSLC-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB CC(C)=CCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O 3650002 KYFBXCHUXFKMGQ-LJQANCHMSA-N 324.376 4.313 0 40 DIAB biogenic,in-vitro Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)NC(C)C 5033171 GJLLWWXXCCTFSU-UHFFFAOYSA-N 311.303 4.412 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 5577913 ZZVIXOZNOKONTG-NSHDSACASA-N 307.752 4.194 0 40 DIAB C[C@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1Cl 6850874 GKTPFLRXSUNONJ-ZETCQYMHSA-N 321.755 4.341 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc2c(O)cccc12 7519927 LSAAWOVDWYGGFQ-SWLSCSKDSA-N 314.454 4.411 0 40 DIAB CC(C)CCNC(=S)Nc1ccc(SC(F)F)cc1 7526392 IMWVMTNNMAQAPH-UHFFFAOYSA-N 304.431 4.334 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1F 7848540 UVYTZQNQUDBLJG-UHFFFAOYSA-N 316.763 4.381 0 40 DIAB CCc1ccc([C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 8062712 LAHVCJQWKWYNPJ-FQEVSTJZSA-N 311.425 4.141 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1 8498618 YVPPAJIUZWZLFM-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB CC(=O)Nc1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 8555332 DEUCSBSWILZCGA-UHFFFAOYSA-N 311.381 4.162 0 40 DIAB Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 8776995 LNJSWDURLLJYGQ-HNNXBMFYSA-N 303.793 4.048 0 40 DIAB O=C(CCC1CCCC1)Nc1nc(-c2ccccn2)cs1 9322066 ZMVGKEZHTHLLJM-UHFFFAOYSA-N 301.415 4.114 0 40 DIAB COc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 11556839 NSJFSSIFOHYNMS-CQSZACIVSA-N 324.424 4.457 0 40 DIAB Cc1cc2c(nc1C)sc1c(NCc3ccco3)ncnc12 12391707 MQLVEPCSMABEEV-UHFFFAOYSA-N 310.382 4.061 0 40 DIAB CC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1 15289253 VXWMMQXWAGZENS-UHFFFAOYSA-N 318.376 4.093 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C 15625190 RGMCHNBWLMJSEF-UHFFFAOYSA-N 311.381 4.121 0 40 DIAB Cc1cc(C)c(C)c(SCc2cc(=O)n3ccccc3n2)c1C 18359228 QUUQJEYWZILDAQ-UHFFFAOYSA-N 324.449 4.220 0 40 DIAB CCN(CC)CCN(CC)C(=O)Nc1cccc2ccccc12 19074495 KXODCWBYZZJHIK-UHFFFAOYSA-N 313.445 4.035 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(F)cccc1F 20107544 UBPQSTSFOPADGG-HNNXBMFYSA-N 319.351 4.378 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1C 20110480 GVFPGUUUBQGZNX-HOCLYGCPSA-N 309.409 4.049 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 20430076 VRNLDCNHRCIVRW-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCCc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1 22254795 QUPLNGIKQUJERF-UHFFFAOYSA-N 310.422 4.430 0 40 DIAB COc1cccc([C@@H]2CCCN2Cc2cc(-c3ccco3)on2)c1 25069014 WPFFGGVDQMYBPM-KRWDZBQOSA-N 324.380 4.280 0 40 DIAB c1ccc(-c2nc(CSc3ncc4ccccn34)co2)cc1 26371330 XGGWGKSMVNGIJW-UHFFFAOYSA-N 307.378 4.282 0 40 DIAB CC(C)c1noc(CSc2nc3ccc(Cl)cc3o2)n1 29136056 OJGGRULJXSIQFB-UHFFFAOYSA-N 309.778 4.280 0 40 DIAB Cc1ccc2c(C(=O)CN3CCc4ccccc4C3)c(C)[nH]c2c1 35999900 KLDSETZVRUSJAM-UHFFFAOYSA-N 318.420 4.026 0 40 DIAB Cc1ccc(NC(=O)N[C@H](C)c2ccccc2)c2cccnc12 40104670 ORVJZBJAQICRDA-CQSZACIVSA-N 305.381 4.426 0 40 DIAB Clc1ccccc1SCCCSc1nncs1 57744743 YBPDWRBBAMPGIQ-UHFFFAOYSA-N 302.877 4.466 0 40 DIAB CCn1cc(Nc2nc(-c3cccs3)nc3ccccc23)cn1 65533951 UFJMTYAKQKRLFC-UHFFFAOYSA-N 321.409 4.318 0 40 DIAB FC(F)(F)Oc1ccc(CSCCc2ccccn2)cc1 71887377 YSDLYLRWGPHGCS-UHFFFAOYSA-N 313.344 4.456 0 40 DIAB O=CN1CCCC[C@H]1c1cccnc1SC1CCCCC1 72217333 OFCUBOUMTVORRC-INIZCTEOSA-N 304.459 4.190 0 40 DIAB Cc1cc(N(C)c2ccccc2)ncc1[C@H](O)c1ccccc1 72223345 YYQLNPXAONEBQO-HXUWFJFHSA-N 304.393 4.240 0 40 DIAB CC(C)OCC[C@@H]1CCCCN1C(=O)Cc1ccccc1Cl 75610202 RNAFYTWOBJGGFA-INIZCTEOSA-N 323.864 4.079 0 40 DIAB Cc1ccc(CC(=O)N(Cc2ccco2)C2CCCC2)s1 84205372 ACRSULZOPDBQPA-UHFFFAOYSA-N 303.427 4.163 0 40 DIAB C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 96478832 RAEJFVAKNNPRJS-BTDLBPIBSA-N 306.331 4.301 0 40 DIAB CCc1ccc(-c2nn(Cc3ccccc3)c(N)c2CC)cc1 199749903 ZYSSFMXSWFGHJU-UHFFFAOYSA-N 305.425 4.305 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225724943 XJBGDFXLOWWVCS-LJQANCHMSA-N 319.445 4.174 0 40 DIAB CCNc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 226285565 PEVUSSWAJNMRFW-UHFFFAOYSA-N 310.353 4.126 0 40 DIAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(C(C)C)cc1 227146351 MXQUXWXFZJXYHR-UHFFFAOYSA-N 318.804 4.307 0 40 DIAB Cc1cc(C(=O)COCc2ccccc2)ccc1Br 381901224 WKOARVWDZZXSCR-UHFFFAOYSA-N 319.198 4.157 0 40 DIAB Nc1c(Br)cc(Br)c2c(F)cccc12 2362803128 HMHAZZKVHCBAFK-UHFFFAOYSA-N 318.971 4.086 0 40 DIAB CC(C)C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 508245 LNDCSPQHVRXQNW-QGZVFWFLSA-N 307.397 4.080 0 40 DIAB OCCCC1CCN([C@H](Cc2ccccc2)c2ccccc2)CC1 1666345 UZQKRJMVGWBHAR-JOCHJYFZSA-N 323.480 4.455 0 40 DIAB Cc1cc(C(F)(F)Cl)c2c(C)nn(-c3ccccc3)c2n1 2733863 IFERWFBHPGJXCE-UHFFFAOYSA-N 307.731 4.325 0 40 DIAB CCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 2783857 CJTFIBVGQVEAAS-UHFFFAOYSA-N 316.832 4.191 0 40 DIAB CCOc1ncccc1C(=O)Nc1ccccc1-c1ccccc1 3347534 FVVCCSSDQGJILG-UHFFFAOYSA-N 318.376 4.400 0 40 DIAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)o1 5944272 CWOYFKLYKHYTOA-BOLDSZDNSA-N 312.365 4.033 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)cc1 7037387 MOCVVAJMAOOUNY-LJQANCHMSA-N 311.425 4.122 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)cc1 8162760 IQFNMIMLZXVOFT-JNMQVBFRSA-N 309.409 4.284 0 40 DIAB CCC[C@@H](C)C(=O)Nc1nnc(CCCc2ccccc2)s1 9355802 QGIRYSJLNFJJBS-CYBMUJFWSA-N 317.458 4.088 0 40 DIAB CC(C)c1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 11735050 WKYQQLTZAGPDPO-UHFFFAOYSA-N 322.408 4.441 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 12770818 HTDNUBZIWBEVFT-LBMWNBJUSA-N 311.381 4.372 0 40 DIAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 12821646 DXRNDPFFMKHOOQ-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCc2ccccc21 13015826 DRGGSQKYFLOXFM-INIZCTEOSA-N 319.326 4.052 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 13994891 HEXWJVYAUZTAPQ-MRXNPFEDSA-N 313.397 4.190 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 14268902 FIISEOVADYTGCA-HNNXBMFYSA-N 324.424 4.326 0 40 DIAB CCN(Cc1ccccc1)C(=O)c1c(-c2ccccc2)noc1C 15083471 XHCISKIENCTPMA-UHFFFAOYSA-N 320.392 4.312 0 40 DIAB CCC(=O)c1ccc(OCc2cc(Cl)c3c(c2)OCO3)cc1 16338569 RTBJVTGEOZJOMH-UHFFFAOYSA-N 318.756 4.240 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1c(OC)cccc1OC 17052452 IGTPFIIFXSGNAD-CYBMUJFWSA-N 313.397 4.470 0 40 DIAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2)on1 19120951 WZKKUPJYCSUBQU-QGZVFWFLSA-N 322.412 4.100 0 40 DIAB Fc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1 19293929 KXEPREUXBVAONS-HNNXBMFYSA-N 318.442 4.417 0 40 DIAB C[C@H](N[C@H](C)c1ccc(Br)cc1)c1cccnc1 20127542 JWRVWFSOKODUGN-NEPJUHHUSA-N 305.219 4.256 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NCCSC1CCCC1 25245518 MTHMWLFYQKVACP-JXMROGBWSA-N 309.862 4.145 0 40 DIAB CCOCCn1c(-c2ccccc2Cl)nc2ccccc21 28228143 KLOFHHCLYCDCGY-UHFFFAOYSA-N 300.789 4.393 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c2cccnc12 31092096 HQTOSEKNBLLXJM-UHFFFAOYSA-N 310.784 4.378 0 40 DIAB C[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 32764865 FQIBKMKEZUZHJW-INIZCTEOSA-N 308.425 4.098 0 40 DIAB O=C(O)c1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1 37400930 YBLNVOOIXPMRTM-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C(C)C)C(C)C 38756103 JAEALJSYZLDGJR-OAHLLOKOSA-N 311.853 4.294 0 40 DIAB Oc1nc(/C(Cl)=C/c2cc(F)ccc2F)nc2ccccc12 40139658 JPXONTCPXPAOEC-WQLSENKSSA-N 318.710 4.351 0 40 DIAB Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 40162683 NREFQFNLAHHRNI-UHFFFAOYSA-N 304.821 4.077 0 40 DIAB CCOC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 44200357 RCKDVSZDVLXVDL-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1 44839702 JRCXAVDJBNYFDV-IBGZPJMESA-N 311.425 4.258 0 40 DIAB COc1ccc2c(c1)CCN2C(=O)c1occc1-c1ccccc1 58904356 TVOGHECTQXRVIT-UHFFFAOYSA-N 319.360 4.158 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)CCO3)C1(C)C 61242721 FHQPLJZUZCSGSW-FDQGKXFDSA-N 313.441 4.037 0 40 DIAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2C)on1 61997270 BDDHLCQBNRPJJW-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Clc1ccc2[nH]c(SCc3nnc(C4CCC4)o3)nc2c1 71893875 RQPJDHFABJFZQR-UHFFFAOYSA-N 320.805 4.159 0 40 DIAB N#CN(Cc1ccccc1)c1nccc(-c2ccc(Cl)cc2)n1 72467800 PROPSHBMVDILLZ-UHFFFAOYSA-N 320.783 4.285 0 40 DIAB CC(=O)c1csc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 106748016 DEMLKJNQGXYEDN-OAHLLOKOSA-N 317.385 4.067 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 219848513 BHHZXVMXRYJCQU-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)cc1 222787647 YIZJERFUAAYLJD-INIZCTEOSA-N 319.404 4.232 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCC1=CCCCC1 224469710 MTLKBCQTVGNBOO-KRWDZBQOSA-N 301.430 4.077 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2cccc(Cl)c2)c1 224525333 FWMRQFUDKBAUMS-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225020015 KOQRUECZYRMYML-SFHVURJKSA-N 312.409 4.367 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)c1 225059491 UVXMSZHMRFEQQC-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(F)cc1 225472868 PJLAYHREXJRFPL-SECBINFHSA-N 310.344 4.152 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1 225691596 PVKNLFBVVOOXAM-SFHVURJKSA-N 307.434 4.399 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)o1 226304670 YQHPHRCYJXBSGQ-KBPBESRZSA-N 312.413 4.240 0 40 DIAB Cc1ccc(OCCCC(=O)NCc2ccc(Cl)cc2)cc1 243024183 HZCUDWPEMKRGGQ-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB CCc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1 257341782 ZLYALQDBSAMOTR-HGJKNBTDSA-N 300.442 4.124 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3c[nH]cc3C)cn2)cc1C 518264754 YMWQCOQFTKESFW-UHFFFAOYSA-N 321.380 4.380 0 40 DIAB COc1cccc(CC2CCN([C@@H](C)c3cc(C)on3)CC2)c1 585084907 HJQXEWJWJNSVEH-HNNXBMFYSA-N 314.429 4.007 0 40 DIAB Cc1c(C(F)F)[nH]c2ccc(OCc3ccccc3)cc2c1=O 685938472 UJMCSNYEGMSECT-UHFFFAOYSA-N 315.319 4.353 0 40 DIAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1C 429418 WNOJFDQXAOBFNY-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB O=C1CCCCC1(CCc1ccncc1)CCc1ccncc1 1675619 JGOHEBYDTDKGSN-UHFFFAOYSA-N 308.425 4.172 0 40 DIAB COc1ccccc1/C=C/C(=O)OCc1ccc(Cl)cc1 3529987 ZWMSJYPSZKWZAM-DHZHZOJOSA-N 302.757 4.105 0 40 DIAB CCc1cc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2cc1OC 4025853 DNMNAKNVAWEJQI-UHFFFAOYSA-N 324.376 4.348 0 40 DIAB biogenic O=C(O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 4711775 BRBDSRHNMGFNMR-UHFFFAOYSA-N 314.341 4.391 0 40 DIAB Cc1ccc(NCC(=O)Nc2cccc3ccccc23)cc1F 5938390 LYRHWOXMYUPQSU-UHFFFAOYSA-N 308.356 4.338 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncccn1 6913097 QUTMTVJYOPEAKY-QWHCGFSZSA-N 315.442 4.109 0 40 DIAB O=C(Nc1cc(F)ccc1F)c1ccc(OC(F)(F)F)cc1 6941859 DZKICJRJXULODG-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB Cc1ccc(-c2csc(NC(=O)CSC(C)(C)C)n2)o1 7007546 ZOBRUWWYCBMSCC-UHFFFAOYSA-N 310.444 4.182 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1 7399867 JOERLKUINXTYFN-HNNXBMFYSA-N 311.425 4.068 0 40 DIAB COc1ccc(C)cc1NC(=O)c1oc2ccc(F)cc2c1C 8210426 GBGISQLWMZVJBW-UHFFFAOYSA-N 313.328 4.450 0 40 DIAB CCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 10294063 NNQWZXHGXCCENJ-DHZHZOJOSA-N 301.773 4.391 0 40 DIAB Cc1cccc(C(=O)Nc2ncnc3sc4c(c23)CCCC4)c1 11990508 UEZLILLIJBEEJZ-UHFFFAOYSA-N 323.421 4.131 0 40 DIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 12623714 BOVWFTLLDLRYFO-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)c(C)c1C 13997627 MGOZLHNHITXRFG-LLVKDONJSA-N 319.836 4.360 0 40 DIAB CCCCCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 14246337 HRNOXDWWGJDFOR-UHFFFAOYSA-N 316.323 4.183 0 40 DIAB CCCCC(=O)Nc1ccc2nc(NC(=O)CCC)sc2c1 17055055 KIZKBQWZRBMCHS-UHFFFAOYSA-N 319.430 4.164 0 40 DIAB O=C(Nc1ccc(F)cc1)Nc1ccc(Br)cc1 18176728 ORHGMLYXOHSPME-UHFFFAOYSA-N 309.138 4.232 0 40 DIAB CC[C@H](NC(=O)c1ccc(C)nc1Cl)c1ccc(C)cc1 32932200 QUTOKZMUQOYESS-HNNXBMFYSA-N 302.805 4.233 0 40 DIAB CCC(C)(C)NC(=O)CCOc1ccccc1-c1ccccc1 40082077 WPHQINVWEPHTMZ-UHFFFAOYSA-N 311.425 4.427 0 40 DIAB O=C(NCc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl 43756075 UGWJHSUZVWOZFV-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(C)cc1 44884164 CDJGYPVJEALLTE-SFHVURJKSA-N 311.425 4.086 0 40 DIAB CN(C)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71326181 RUDQJUNXVPKLKW-UHFFFAOYSA-N 323.824 4.354 0 40 DIAB O=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Cc1cccs1 72220443 FHXTVOIQEXTGLN-UHFFFAOYSA-N 318.785 4.081 0 40 DIAB CONC(=O)c1ccc(N[C@@H](C)c2cc(C)ccc2C)c(C)c1 77612809 UBCPDAZNPDICSS-HNNXBMFYSA-N 312.413 4.076 0 40 DIAB Cc1cccc(C2(CN[C@@H](C)c3nnc(C)o3)CCCCC2)c1 95958778 HSJONVPTOFRTOI-HNNXBMFYSA-N 313.445 4.239 0 40 DIAB O=C(Cc1cccs1)NCc1ccccc1-c1ccsc1 96122883 BTJDESRARZGVAI-UHFFFAOYSA-N 313.447 4.336 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 96586372 IRQQUWFPMDBIJG-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(F)cc1C 96659357 CCNNZSRAKIHRES-UHFFFAOYSA-N 321.417 4.060 0 40 DIAB C[C@]1(O)C[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 118936468 CQZAVYPFAQQMBG-CCOGIYSMSA-N 316.485 4.061 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc(C)cc1C 223364211 YWYJWTNFPGGGEO-HXUWFJFHSA-N 323.436 4.048 0 40 DIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C 223599181 AIPAZTYMRAIGKU-MRXNPFEDSA-N 311.425 4.040 0 40 DIAB Cc1ccccc1C1(NC(=S)Nc2cccnc2)CCCC1 225873815 SQEHCFSVEDQHKW-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB O=C(NCc1ccc(-c2cccs2)o1)c1ccc(F)c(F)c1 575609070 OGYMLQLOFCQQGU-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](c2cccs2)C1 826572067 GDVIKTWHWDXXSJ-JTQLQIEISA-N 309.793 4.170 0 40 DIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\C=C\c1ccccc1 430887 KXQRLXNNHWKGBE-QSJINSDNSA-N 309.752 4.241 0 40 DIAB COc1ccccc1COc1cc(C)cc2oc(=O)c(C)c(C)c12 488569 KWKYAXUXYZJZSQ-UHFFFAOYSA-N 324.376 4.306 0 40 DIAB biogenic Cc1ccc(C(=O)Nc2ncccc2OCc2ccccc2)cc1 1017442 TXWRHHTXHWIGHN-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB CCc1c(-c2cccc(OC)c2)nn(C)c1-c1cccc(OC)c1 2733533 LACLGBBYJQAGOG-UHFFFAOYSA-N 322.408 4.334 0 40 DIAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(F)cc1 3551670 YJVPKKBKBMWWKJ-UHFFFAOYSA-N 323.820 4.278 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3560983 ISHIKMDFXSPDQS-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB Cc1cc(OCC(=O)NCc2ccco2)c(C(C)C)cc1Cl 3579061 UFSUEOFAJVVMJE-UHFFFAOYSA-N 321.804 4.060 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1SCCCC(=O)O 8732903 BNJHYOVZQQCGMI-LBPRGKRZSA-N 309.431 4.018 0 40 DIAB Cc1occc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 10213959 LSFIIDGPXJSBCX-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)c1C 10892799 DUKCDBRPGUHSHJ-ZWNOBZJWSA-N 317.458 4.233 0 40 DIAB CCOc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)O)c2c1 11865223 HQHJNMGNWFAURN-UHFFFAOYSA-N 312.321 4.205 0 40 DIAB biogenic O=C(CC1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1 12389127 WOBMVBMZFJYQMT-UHFFFAOYSA-N 314.404 4.162 0 40 DIAB COc1cc(/C=C/c2nc3ccccc3o2)cc(Cl)c1O 13015146 JZLOJENHXQCJTB-VOTSOKGWSA-N 301.729 4.366 0 40 DIAB O[C@@H](C1=C/C(=C/c2ccncc2)c2ccccc21)c1ccncc1 13099041 JTMFJLXJCCVSIM-WYPWOVKWSA-N 312.372 4.148 0 40 DIAB in-vitro C[C@@H]1CCC[C@H](N2CCN(C3C4CC5CC(C4)CC3C5)CC2)C1 19831700 IJNUPCMESUBVMN-CRXUISOOSA-N 316.533 4.007 0 40 DIAB Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1C 38835171 ASNPWLLFRKXZOX-IBGZPJMESA-N 322.452 4.154 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C)cc1C 40095401 KUECMVDVEASHDF-UHFFFAOYSA-N 300.377 4.497 0 40 DIAB CCN(CC)c1ccc(C(=O)CCCCCCC(=O)O)cc1 43214153 KRLXMKYZRQLFJX-UHFFFAOYSA-N 305.418 4.141 0 40 DIAB Cc1ccc(-c2csc(Cc3ncc(Cl)n3C)n2)s1 49079210 WQFDINPITCZBBJ-UHFFFAOYSA-N 309.847 4.158 0 40 DIAB CCCn1c(SCc2ccc(C)cc2)nnc1-c1ccncc1 57475983 RKYKSOHMRKIDHB-UHFFFAOYSA-N 324.453 4.351 0 40 DIAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccncc2)o1 75544136 NZWARFWYGYKYPN-CZUORRHYSA-N 313.401 4.242 0 40 DIAB O=C(C[C@H]1CC[C@H](C(=O)O)CC1)c1cccc(C(F)(F)F)c1 100449817 YFQPCWHDWXMIFZ-PHIMTYICSA-N 314.303 4.169 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1cccc(Cl)c1 224484748 MGIZVZQIDXPLOO-UHFFFAOYSA-N 306.745 4.016 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1OC 224612778 NLBLABRCJOYXLA-HOTGVXAUSA-N 321.461 4.185 0 40 DIAB Cc1cc(Cl)ccc1C[C@@H](Sc1ccccc1)C(=O)O 225075425 FLSHKNGEHMPIHA-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NCC2=CCCCC2)c1 225098194 DBPIDIRECQBUPC-UHFFFAOYSA-N 301.430 4.114 0 40 DIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225358843 JPNASALXQSYBIH-UHFFFAOYSA-N 311.381 4.045 0 40 DIAB COc1cccc(NC(=O)NCCCc2ccc(Cl)cc2)c1 225762770 MYPBWYIGFPRKSW-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Cc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1Br 226248185 JARPBJLXEGBFID-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB COC(=O)[C@H](C)CCCC(=O)c1ccc2cc(OC)ccc2c1 1600878 JYUIVQGWHQQLSS-CYBMUJFWSA-N 314.381 4.011 0 40 DIAB CCCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 2085710 DHNGFZYRURDXSG-UHFFFAOYSA-N 308.381 4.333 0 40 DIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1F 2514582 LXSJUYFRKPWMPD-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1C 2623875 JBZBASQLKZRIAF-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc3ccccc23)c1 2634687 YNZMYHAPGXOSAM-UHFFFAOYSA-N 318.372 4.496 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 5673587 YQQQROHSMIEFMN-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB O=C(NC(=S)c1cccc2ccccc12)Nc1ccccc1 6575420 WFGMZQWZVYMXCU-UHFFFAOYSA-N 306.390 4.337 0 40 DIAB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 6587678 IGTIGUCMIJJLCG-FXTHNMEQSA-N 310.441 4.412 0 40 DIAB CCOc1ccccc1NC(=O)CNc1ccc(C)cc1Cl 7972380 LDVUJEXZRYMXLG-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1 8729553 BCECNGJHVCWMOD-PKNBQFBNSA-N 314.337 4.001 0 40 DIAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1 10311082 OZWLWPGLKFTNBE-LJQANCHMSA-N 308.425 4.079 0 40 DIAB CC(C)[C@@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1 10466145 BINFPTDTZYRHBK-GOSISDBHSA-N 314.404 4.065 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)c2cccc3cccnc23)cc1 12844974 YNBZMRLZOKCJPG-AWEZNQCLSA-N 320.392 4.125 0 40 DIAB CC(=O)c1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 18709357 RWOHFXOXQQGTRJ-CQSZACIVSA-N 313.422 4.150 0 40 DIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2Cl)on1 19120588 KJLFOCHORNBISX-SUMWQHHRSA-N 304.821 4.137 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cccs1 20536114 SSAFEYSPCCMCGF-SECBINFHSA-N 310.806 4.293 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)c2cc(F)cc(F)c2)cc1C 22540193 FYLQUOOEDXAVDT-CYBMUJFWSA-N 303.352 4.381 0 40 DIAB COC(=O)[C@H](c1ccccc1Cl)N1CCCc2ccccc21 24224705 KCJPRLCVVCFSTK-KRWDZBQOSA-N 315.800 4.007 0 40 DIAB Cc1cccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c1 28219883 FEIPBGGAWKQKEY-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 30847549 JGJLGOFBUHXLGY-CYBMUJFWSA-N 319.351 4.296 0 40 DIAB Cc1cc2nc(-c3ccc4nc(NN)sc4c3)oc2cc1C 40542385 YFEVNQJFSLGCBN-UHFFFAOYSA-N 310.382 4.007 0 40 DIAB Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)O)cc1 41154454 RLQCMIXUWTZFOY-UHFFFAOYSA-N 311.362 4.499 0 40 DIAB C[C@@H]1c2ccsc2CCN1Cc1ccc(-n2ccnc2)cc1 57645288 FXMPMMFDAIYPRX-CQSZACIVSA-N 309.438 4.053 0 40 DIAB CCC(C)(C)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 71909289 VQRKKVQHEUSRDW-NRFANRHFSA-N 309.475 4.109 0 40 DIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccccc2)cc1 72329179 HSGZRWSRNZDLQU-AWEZNQCLSA-N 319.408 4.130 0 40 DIAB CCOc1ccccc1C[S@](=O)[C@@H](C)c1ccc(F)cc1 78555957 NSBBLXIOZIRASZ-YEJXKQKISA-N 306.402 4.234 0 40 DIAB Cc1csc(C2(NC(=O)Nc3ccc(F)cc3)CCCC2)n1 78821439 WUFLOPXECAOLRR-UHFFFAOYSA-N 319.405 4.182 0 40 DIAB CCOCc1ccccc1NC(=O)c1sc(C(C)C)nc1C 84802801 GMYUZRZQBUIAJE-UHFFFAOYSA-N 318.442 4.364 0 40 DIAB Brc1ccc(CNc2cc(-c3ccco3)n[nH]2)cc1 95472061 FDTHVBCXOQLFDQ-UHFFFAOYSA-N 318.174 4.044 0 40 DIAB COCCCN(C)C(=O)Nc1sc2ccccc2c1Cl 96406760 DULKZWZPHRARRV-UHFFFAOYSA-N 312.822 4.055 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)/C=C/c1nc3ccccc3o1)C2 107469582 IRNMFIMETJOVPV-LLZWPYGESA-N 324.424 4.172 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(C)c2)cc1 113969708 IETIBCMEHGEPNR-IBGZPJMESA-N 311.425 4.031 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1 216295244 QFGYZYWIXNJNJK-INIZCTEOSA-N 319.788 4.145 0 40 DIAB COC1(c2noc([C@@H](C)OC3CCCCCC3)n2)CCCC1 329595529 IETOVEHWULOYJJ-CYBMUJFWSA-N 308.422 4.286 0 40 DIAB CCC(C)(C)C1CCC2(CC1)NC(=S)N(CCC(C)C)N2 89060 QOIURHIDGGINBO-UHFFFAOYSA-N 311.539 4.050 0 40 DIAB COc1cccc2c1OC(C)(C)N1N=C(c3cccs3)C[C@@H]21 221403 PBHBGCGQAYFOHD-ZDUSSCGKSA-N 314.410 4.036 0 40 DIAB CCN(C(=O)COc1cccc2ccccc12)c1ccccc1 491503 WFAMRSQTAJHZDI-UHFFFAOYSA-N 305.377 4.272 0 40 DIAB C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 1326097 VUEZNONIYWVUJQ-DLBZAZTESA-N 322.452 4.413 0 40 DIAB O=C(C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1)c1ccccc1 2539690 OMAMGHBETNHQJC-KDURUIRLSA-N 321.420 4.043 0 40 DIAB biogenic,in-vitro COc1ccccc1NC(=O)N1CCCSc2ccccc21 3367888 VXFRKUKOOYQILG-UHFFFAOYSA-N 314.410 4.230 0 40 DIAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccccc1F 3387795 GDXKLNIUDRHENW-JXMROGBWSA-N 307.271 4.079 0 40 DIAB Cc1cccc(Nc2nnc(S[C@@H]3CCCC3=O)s2)c1C 3560923 NISMSZISNDFSNT-CYBMUJFWSA-N 319.455 4.112 0 40 DIAB CCCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699061 TVBCGZOKAIDEFX-HNNXBMFYSA-N 318.461 4.081 0 40 DIAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Cl)cc1 4776533 XOZWGHBPVVYNMX-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB CCOC(=O)C(C)(C)C(O[P@@](=O)(CC)OCC)=C(C)C 5574318 XMWNPHRMXJAMTR-HXUWFJFHSA-N 306.339 4.136 0 40 DIAB O=C(Nc1ccc2cn[nH]c2c1)Nc1cccc2ccccc12 6161445 OLEMRIJMKJSCPO-UHFFFAOYSA-N 302.337 4.360 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 6745683 AXCRMAZNGBSNRI-MRXNPFEDSA-N 300.789 4.181 0 40 DIAB CC(=O)Nc1ccc(-n2cc(-c3ccccc3)[nH]c2=S)cc1 6949846 ZCUQXYLNTJAWPQ-UHFFFAOYSA-N 309.394 4.160 0 40 DIAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 8039279 HPBMJTIXAXDVLJ-CABZTGNLSA-N 311.838 4.061 0 40 DIAB Fc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1 12144583 MTWYSBOUQFYKEL-UHFFFAOYSA-N 324.384 4.209 0 40 DIAB Cc1cc(-c2cnc(NC3CCCC3)nc2-c2ccco2)on1 12184257 GRWKQXAAGBYWDO-UHFFFAOYSA-N 310.357 4.055 0 40 DIAB Cc1nc2ccccc2n1CN1CC=C(c2ccccc2)CC1 12548306 PRIHFRSWGVAFOM-UHFFFAOYSA-N 303.409 4.092 0 40 DIAB CC[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12815900 NUXZWLRQTKRDQQ-GJZGRUSLSA-N 324.424 4.162 0 40 DIAB CCOc1ccccc1NC(=S)NCc1ccccc1Cl 13817224 GNPUQGTXFAYJKP-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB Oc1cc(-c2ccc(Cl)cc2)nn1-c1nc2ccccc2o1 14607838 HUMGFZJFLHPHCD-UHFFFAOYSA-N 311.728 4.040 0 40 DIAB CC(C)(C)c1noc([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)n1 19084613 PEYDFLMHRZDTCA-CYBMUJFWSA-N 319.836 4.010 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccccc1 20454013 ZOCMISIJYRUENL-INIZCTEOSA-N 317.816 4.156 0 40 DIAB CCCCOCN(COCCCC)[C@@H](C)Cc1ccccc1 31760786 IFGOUIMVKGBGOT-SFHVURJKSA-N 307.478 4.468 0 40 DIAB CC[C@H](C)n1nccc1NC(=O)c1ccc(Cl)cc1Cl 32647792 PMOZLKXBXFBHFW-VIFPVBQESA-N 312.200 4.413 0 40 DIAB NC(N=O)=C1C=CN(C(c2ccccc2)c2ccccc2)C=C1 38185653 PMIJNVDDQZYSGK-UHFFFAOYSA-N 303.365 4.056 0 40 DIAB CCc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 38651636 IBDPWBJEHAKWDD-UHFFFAOYSA-N 316.364 4.356 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)/C=C/c1nc2ccccc2o1)C1CC1 56182946 QNHFAIJZCAQVGG-NHAQELONSA-N 322.364 4.186 0 40 DIAB CC(C)(C)c1cnc(Cn2c(C(F)(F)F)nc3ccccc32)o1 58045680 OBXJWMQCEYSBQY-UHFFFAOYSA-N 323.318 4.389 0 40 DIAB Cc1cc(CNc2ccccc2N(C)Cc2ccccc2)no1 69486416 XCNVJHLJOVUHCZ-UHFFFAOYSA-N 307.397 4.232 0 40 DIAB CN(C(=O)c1ccc(OC2CCCCC2)cc1)c1nccs1 70037212 HUSOGHVWRXKRAX-UHFFFAOYSA-N 316.426 4.131 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(SC)cc2)cc1F 71325931 UOKCDATUBANJBI-UHFFFAOYSA-N 322.430 4.365 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2cc(F)cc(F)c2)c1 71760991 VFNCCRMZQPOUHV-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB CCOC(=O)c1ccc(N[C@H](C)c2ccc(SC)cc2)nc1 71844447 YDJLFRIGLJWOJQ-GFCCVEGCSA-N 316.426 4.153 0 40 DIAB Cc1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1Cl 71979085 QZEXXLHETOKFQO-INIZCTEOSA-N 314.772 4.040 0 40 DIAB Clc1ccc(COc2nc(-c3ccccc3Cl)no2)cn1 72068268 MSLCRIWUWFDSPD-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB C[C@@H](c1cccs1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203839 SPRLIMZPAMKGDN-ZDUSSCGKSA-N 324.490 4.046 0 40 DIAB Cc1cc(C(=O)c2ccccc2)cnc1N(C)c1ccccc1 72222301 IEVVRRBVIYPGFC-UHFFFAOYSA-N 302.377 4.389 0 40 DIAB Cc1cc(N(C)c2ccccc2)ncc1[C@@H](N)c1ccccc1 72223352 LHLAVRNQBKXCKU-FQEVSTJZSA-N 303.409 4.206 0 40 DIAB CCn1ccc(NC(=O)c2cccc(-c3cccc(C)c3)c2)n1 72243302 IGPGAFUXFIMPRI-UHFFFAOYSA-N 305.381 4.131 0 40 DIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78876892 FFVPECXZABNKMA-OLZOCXBDSA-N 324.302 4.052 0 40 DIAB CCCOc1ccc(C(F)(F)F)cc1NCc1ncc(C)o1 79065277 SDCGBFRJFWLVCT-UHFFFAOYSA-N 314.307 4.403 0 40 DIAB Cc1nc2ccccc2n1-c1cc(Br)ccc1F 95915647 DZJZGAMNYPAMGZ-UHFFFAOYSA-N 305.150 4.236 0 40 DIAB CC(=O)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1 96475321 WSRINZSNISRWRG-UHFFFAOYSA-N 305.736 4.242 0 40 DIAB O=C(Nc1ccc(Br)cc1)OC[C@@H]1C[C@H]2C=C[C@H]1C2 104166442 DIIYEJWDFCRNSN-SRVKXCTJSA-N 322.202 4.210 0 40 DIAB O[C@]12O[C@@]34CCCC[C@H]3C[C@]13CCC[C@@H]2C[C@H]1CCCC[C@@]13O4 105365144 GMYSGDXPXKUMOX-KSLKBLKXSA-N 318.457 4.131 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 113960817 ZDUANKOHXOIJNU-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCC(C)CC1 225669405 QZOJSJUGUPMOCM-UHFFFAOYSA-N 319.445 4.318 0 40 DIAB Cn1cc(CN2CCC[C@H](c3nccs3)C2)c2ccccc21 2037845966 OZWXQCUQTALERI-AWEZNQCLSA-N 311.454 4.014 0 40 DIAB Clc1ccc2nc(N3CC[C@@H](c4ccccn4)C3)sc2c1 2298088990 DZZOJGXXLSTGIB-LLVKDONJSA-N 315.829 4.339 0 40 DIAB O=C(Nc1ccccc1O)c1c2c(nc3ccccc13)CCCC2 77796 MKYSNFSRXRCXFW-UHFFFAOYSA-N 318.376 4.072 0 40 DIAB Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1Cl 363975 GQHCXUILJYSXMO-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB CC(=O)Oc1ccc([C@@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519857 SRZZJSRTPWVXAD-ONYVYNMZSA-N 300.398 4.148 0 40 DIAB Cc1cccc(N2N[C@@]3(C[C@H](C)CC(C)(C)C3)NC2=S)c1C 1827329 CQWYOQVERMSPIX-KZULUSFZSA-N 317.502 4.045 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2)c(C)c1 1913982 DNHRRLLINDTUAJ-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1 2651238 IXBPTCXEKAISIA-UHFFFAOYSA-N 324.424 4.003 0 40 DIAB CCC(=O)c1ccc(OC(=O)c2ccc(F)cc2Cl)cc1 3249175 DKXZGOWSFMASHR-UHFFFAOYSA-N 306.720 4.291 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)c1 3611832 RLTGBAMCDGCNAW-LLVKDONJSA-N 307.752 4.194 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 4390630 UZIDKGXTGVPDEW-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H](C(=O)O)C1 4651533 CUMYYBACRQOPSC-SJORKVTESA-N 315.413 4.196 0 40 DIAB C[C@H](NC(=O)c1ccccc1Br)c1cccs1 6220420 OYWFDBSOKNOZKF-VIFPVBQESA-N 310.216 4.002 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6651684 PLMJKHMFXYFYGR-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB C[C@@H](Sc1cc(F)ccc1F)C(=O)NC1CCCCCC1 7934855 UDLYZBZYARMUHX-LLVKDONJSA-N 313.413 4.284 0 40 DIAB Cc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 7944215 NOACLCDSAWPLGM-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CCNc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8665583 PVHIGKNDYZNZIH-KIJMYCCXSA-N 315.457 4.041 0 40 DIAB CCN(C(C)=O)c1nc(/C=C/c2ccc3ccccc3n2)cs1 9118621 QTCQYUVXVWGUQE-ZHACJKMWSA-N 323.421 4.235 0 40 DIAB CCOc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cc1 9236531 ANWRBLUZTGXHAE-UHFFFAOYSA-N 311.337 4.092 0 40 DIAB Cc1nc(NC(=O)c2cc(F)c(Cl)cc2Cl)sc1C 9336370 WLOBFWOLFIHEFS-UHFFFAOYSA-N 319.188 4.458 0 40 DIAB CCc1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 12607574 NOILYUJDNVEJEF-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB O=C([C@H]1CC=CCC1)N1CCC(c2cc3ccccc3cn2)CC1 13267744 SKQMEBPEACOBER-KRWDZBQOSA-N 320.436 4.297 0 40 DIAB Cc1cc(OC[C@H](O)CSc2ccccn2)ccc1C(C)C 16839847 BUSAFQDPGGVTRM-HNNXBMFYSA-N 317.454 4.045 0 40 DIAB CC[C@H](C)c1ccc([C@@H](NC(=O)c2cnccn2)C(C)C)cc1 19296032 PHKSJOIMCHLTBY-KSSFIOAISA-N 311.429 4.117 0 40 DIAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(F)cc2)cc1 20104579 OMOOMRBFXLMARX-UHFFFAOYSA-N 313.416 4.372 0 40 DIAB CC1CCC(NC(=O)c2csc(Cc3ccccc3)n2)CC1 32671837 RCOCTLLCTNXIAW-UHFFFAOYSA-N 314.454 4.042 0 40 DIAB CC(C)CCO[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 58017466 VHERMOQOBYRODS-GHMZBOCLSA-N 303.855 4.030 0 40 DIAB C[C@@H](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccncc1 58223470 RZHVEMTYAQWHET-PXNSSMCTSA-N 322.452 4.404 0 40 DIAB Cc1ccc(C)c(N(C(=O)c2ccnc(Cl)c2)C(C)C)c1 60368660 USMYYQVVPNOVBY-UHFFFAOYSA-N 302.805 4.407 0 40 DIAB Cc1cc(N)c2oc(Cc3ccc(Br)cc3)nc2c1 70461447 WITGFDLEGZBKHI-UHFFFAOYSA-N 317.186 4.072 0 40 DIAB CC[C@H](C)Nc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213502 PZIHCZVHGJDIED-DZGCQCFKSA-N 319.449 4.364 0 40 DIAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCC[C@@H]1c1nccs1 72285799 ZFZQNLBUWBBOQG-ARFHVFGLSA-N 312.438 4.000 0 40 DIAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(C)n1 84086313 OHSCMQMLUMYSHR-LBPRGKRZSA-N 303.793 4.235 0 40 DIAB Cc1cnc(CNC(C)(C)c2c(Cl)cccc2Cl)cn1 95947877 ZOUJCUHUOOZHAR-UHFFFAOYSA-N 310.228 4.117 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCCc1nc2ccccc2o1 224951077 CABLLXDITJGDNC-HNNXBMFYSA-N 316.445 4.483 0 40 DIAB CCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226352283 HRBBFUGRAUETMX-UHFFFAOYSA-N 301.342 4.082 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCCCC2)cc1C 408680332 RFIXXPDHRVGCPO-MRXNPFEDSA-N 303.446 4.300 0 40 DIAB COc1cncc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 584136937 WGWYHPNOXJGCLM-SFHVURJKSA-N 316.832 4.375 0 40 DIAB CC1(C)[C@H]2Cc3ccc(C4=N[C@@H](c5ccccc5)CO4)nc3[C@@H]1C2 642814066 BQPOTNVOGYBVEV-XYJFISCASA-N 318.420 4.286 0 40 DIAB CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1Cl 193076 CDHZUFZVAFBDBU-CABZTGNLSA-N 315.196 4.213 0 40 DIAB COc1cnc(SCc2ccc(Cl)cc2)nc1Cl 1388489 HVNCKXYPDAMYRC-UHFFFAOYSA-N 301.198 4.084 0 40 DIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1)C3 2117563 GWZWKYGUDAABTI-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC2 2630831 ICFLXVGVHFEUNQ-GFCCVEGCSA-N 315.800 4.235 0 40 DIAB Cc1ccc(N[C@H]2Sc3ccccc3NC2=O)cc1Cl 2638208 PYWMDEREWTWAAQ-HNNXBMFYSA-N 304.802 4.131 0 40 DIAB Clc1ccc(Nc2c(-c3ccccn3)nc3cnccn23)cc1 4632432 QALBGDSMEISYOK-UHFFFAOYSA-N 321.771 4.188 0 40 DIAB CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 4649104 XUIWDTXAVASCNG-UHFFFAOYSA-N 314.360 4.207 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2ccccc21 5198958 SPRISUUSOMVYGA-UHFFFAOYSA-N 307.397 4.107 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 5347683 LQEKMQSOYKEGNC-GFCCVEGCSA-N 315.800 4.235 0 40 DIAB 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CN(CCC(=O)Nc1ccccc1)Cc1ccc2ccccc2c1 15512627 VJLJYNFSPMUMGS-UHFFFAOYSA-N 318.420 4.300 0 40 DIAB CC(C)(C)c1noc([C@H]2CCN(Cc3ccc(Cl)cc3)C2)n1 19084615 PEYDFLMHRZDTCA-ZDUSSCGKSA-N 319.836 4.010 0 40 DIAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 19933045 XQSHZLIVSVEABZ-KRWDZBQOSA-N 301.361 4.184 0 40 DIAB CCCCc1ccc(NC(=O)Cc2sc(C)nc2C)cc1 36354053 UMWPWSOLNLPCNL-UHFFFAOYSA-N 302.443 4.284 0 40 DIAB C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1Cl 40460651 LWYKGWCVQFQQNJ-GFCCVEGCSA-N 313.788 4.241 0 40 DIAB Nc1cc(Nc2ccc(Cl)cc2)nc(-c2ccccc2F)n1 49467831 AEJDUJFUMREMSQ-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB Oc1cccc(CNCc2cccnc2Oc2cccc(F)c2)c1 58213687 FEBQAICKWVWQGU-UHFFFAOYSA-N 324.355 4.008 0 40 DIAB CCOc1ccc(N[C@H](C)c2c(F)cccc2F)cc1CO 71948201 NOZNVOMFAHBQMA-LLVKDONJSA-N 307.340 4.029 0 40 DIAB Cc1nc(N(C)c2ccccc2)ccc1[C@@H](O)c1ccccc1 72224388 UESGYDBROIBEGF-FQEVSTJZSA-N 304.393 4.240 0 40 DIAB CCN(C(=O)c1occc1C)[C@H](Cc1ccc(F)cc1)C(C)C 72303442 IQDCOVAVILKKRN-QGZVFWFLSA-N 317.404 4.457 0 40 DIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)OCC3CC3)c(C)c12 84066901 SOSBUFVEMFMCFB-UHFFFAOYSA-N 318.442 4.172 0 40 DIAB C[C@@H](c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1 84656009 WWESJANIVPQXPT-QMMMGPOBSA-N 302.230 4.038 0 40 DIAB Cc1ncsc1CC[S@](=O)Cc1ccc(C(C)C)cc1 86165147 WMAFFAFSQKGPLP-HXUWFJFHSA-N 307.484 4.066 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)c1 102447047 KDXPRDVRXSGOII-MJEZEWASSA-N 315.457 4.093 0 40 DIAB COC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 216769589 NDTODYMBDAUUBN-UHFFFAOYSA-N 315.550 4.149 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)CCCC2 224939076 VOZDTXOQSNHWOY-UHFFFAOYSA-N 320.436 4.418 0 40 DIAB Cc1c(F)cc(Br)c(Cl)c1Br 238483060 XGMIFGHPALKYOC-UHFFFAOYSA-N 302.368 4.313 0 40 DIAB CCOC1CC2(CCN(Cc3cc4ccccc4s3)C2)C1 512827536 KHGRZJZIIMXRRT-UHFFFAOYSA-N 301.455 4.292 0 40 DIAB Cc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 554414 UGOHXAOODWZAEU-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB Cc1cc(C)cc(-n2c(S)nnc2-c2ccc(Cl)cc2)c1 2740458 BIQMZWNQSPGJAL-UHFFFAOYSA-N 315.829 4.493 0 40 DIAB COc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 3524919 LQIQXYPHGPLLSE-UHFFFAOYSA-N 321.376 4.111 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCc2cccc(F)c2)cc1 4354783 PUUUNZFLKURDMT-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB Cc1cccc(/C=C/c2nn3c(-c4ccoc4C)nnc3s2)c1 5032089 UDGZOJSBRONTIE-VOTSOKGWSA-N 322.393 4.233 0 40 DIAB COCc1c(C(=O)Nc2cccc(C(C)=O)c2)oc2ccccc12 5677845 ASGCQODRFSUELH-UHFFFAOYSA-N 323.348 4.034 0 40 DIAB c1ccc2c(NCCNc3ncnc4sccc34)cccc2c1 6923498 UDDBEERFSOZBNP-UHFFFAOYSA-N 320.421 4.369 0 40 DIAB CCC(CC)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 7778317 IPMZXJUPTRQGJV-UHFFFAOYSA-N 320.433 4.105 0 40 DIAB CC(=O)Nc1ccc(-c2nc(N3CCCCC3)sc2C)cc1 8225405 FWXSNBGBYCJIKB-UHFFFAOYSA-N 315.442 4.067 0 40 DIAB CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 8227307 OQZBAVJHONOIAJ-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8499558 POKKEDOQRWSDPC-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(C)cc1 8550121 QDRREOAKFHQHDQ-UHFFFAOYSA-N 313.441 4.471 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncccc1Cl 8706045 KIKOYNDTCCISOX-GFCCVEGCSA-N 320.845 4.471 0 40 DIAB O=C(c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 8715559 KGVSNENHIDVPNE-VHSXEESVSA-N 301.169 4.067 0 40 DIAB Cc1cc(CNC(=O)Nc2nc3ccccc3s2)ccc1F 10258275 RTBWUNCAILYHBB-UHFFFAOYSA-N 315.373 4.066 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)c1 12586957 OXLLLCIVZZYQEQ-HNNXBMFYSA-N 308.425 4.231 0 40 DIAB C[C@H](CCc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1 13003846 YRAYWYHAAAABEX-LLVKDONJSA-N 311.303 4.050 0 40 DIAB C[C@@H](NC(=O)NCc1ccccc1)c1cccc2ccccc12 17115545 TVQOETWGMKFFHG-OAHLLOKOSA-N 304.393 4.400 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCCC2)cc1 18543883 AQWZCASHTMKKOF-ZDUSSCGKSA-N 307.459 4.015 0 40 DIAB Clc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1 19881205 MOJDOVILLUVRPK-UHFFFAOYSA-N 324.811 4.392 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1C 20138764 YWUDVOKTUURWSS-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB CCCCc1ccc2nc(NC(=O)C3CCOCC3)sc2c1 23271015 CUWPUODKRCFNEJ-UHFFFAOYSA-N 318.442 4.004 0 40 DIAB Cc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)n1 25058772 LBLUFFCISCPQIT-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CC12CN3CC(C)(CN(C1)C3c1ccc(-c3cccs3)cc1)C2 26580441 IUAAENZRIGEHKF-UHFFFAOYSA-N 324.493 4.461 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)ccc3c2C)cc1 27794036 WBRZVRKTZDDFBS-UHFFFAOYSA-N 322.364 4.260 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1SC 30867817 SDRYGXNZOXLQLB-HNNXBMFYSA-N 319.401 4.344 0 40 DIAB O=C(CCC1CCCC1)Nc1cccc(Oc2cnccn2)c1 32817554 CVXVGPNDBVXOLE-UHFFFAOYSA-N 311.385 4.178 0 40 DIAB CCCCCOc1ccc([C@H](C)NC(=O)C2CCC2)cc1OC 48325371 DDVBGIHPTWJGTH-AWEZNQCLSA-N 319.445 4.242 0 40 DIAB Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)no1 49211858 CTLXZAMZUXIDAG-MRVPVSSYSA-N 314.172 4.173 0 40 DIAB COC(=O)Nc1cccc(NC(=O)Nc2ccccc2Cl)c1 53733950 ALBOAFODPYHGQK-UHFFFAOYSA-N 319.748 4.162 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 59351212 WGFGMGGLNSYYQX-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CCOc1ccc(Nc2nc3ccc(OC)cc3s2)cc1 89065157 WCIRBHSEPBSAMX-UHFFFAOYSA-N 300.383 4.447 0 40 DIAB O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F 89774653 LLDPMJZKMYPPMK-SMDDNHRTSA-N 322.742 4.296 0 40 DIAB CSC1(CN[C@@H](C)c2cc(C)c(C)cc2C)CCOCC1 90112825 YEPQQJWSXLFBOJ-INIZCTEOSA-N 307.503 4.175 0 40 DIAB CC(C)c1cc(NCC2(c3ccncc3)CC2)nc(C(C)C)n1 95450210 QAUALIWTLKXAPX-UHFFFAOYSA-N 310.445 4.262 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CC[C@]4(O)C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118931152 AYKGDFHRLXZLQY-OTMHUNNKSA-N 304.474 4.061 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224242425 IOGFZIBIJKOZHX-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB C[C@@H](CNC(=O)CCSCc1ccccc1)c1ccccc1 224277898 FKCHALPKPDSRHH-INIZCTEOSA-N 313.466 4.230 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 224293375 LKUHROTXIHTWJY-OAHLLOKOSA-N 305.462 4.402 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 225308219 SKMFNTKQLYLRPJ-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1 225710701 JWBMOMZIGONIOC-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccccc1Cl 225781459 YHPUZWARRGORHF-LBPRGKRZSA-N 320.845 4.094 0 40 DIAB CCC1(NC(=S)Nc2ccc(OC)c(Cl)c2)CCCC1 225853662 XFQKWDJEZIEJOQ-UHFFFAOYSA-N 312.866 4.358 0 40 DIAB O[C@H](c1cc(OCc2ccccc2)ns1)C1CCCCC1 604941631 DVYDAIPIDHRDRP-KRWDZBQOSA-N 303.427 4.336 0 40 DIAB O=C(Cc1cccc2ccccc12)NCC1(c2ccsc2)CC1 1889298578 ZOTUENBZNIGNAL-UHFFFAOYSA-N 321.445 4.292 0 40 DIAB Cc1nc2ccccc2n1C1CN(c2nccc3sccc23)C1 2087066787 WGXCDUYGNUIEBC-UHFFFAOYSA-N 320.421 4.016 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2C)c1 43960 LHIGTAIBWHPZEB-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 347662 QHBKWURTWWDGSD-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB CSc1nc(-c2ccccc2)cn1-c1ccc(NC(C)=O)cc1 392228 IYUHRJHASXUFGF-UHFFFAOYSA-N 323.421 4.220 0 40 DIAB CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccccn1 520861 PJMVKAMOHBUHOU-HXUWFJFHSA-N 312.376 4.095 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 526131 WMFUXKHRHUOOFY-MRXNPFEDSA-N 315.804 4.494 0 40 DIAB biogenic CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C 2484830 ZYVWDGOLKRWZLE-UHFFFAOYSA-N 302.418 4.217 0 40 DIAB Cc1sc(NC(=O)/C=C/c2ccco2)nc1-c1ccccc1 2751376 QLYKVLZNCZULJB-MDZDMXLPSA-N 310.378 4.363 0 40 DIAB O=C(Nc1ncc(Cl)cc1Cl)c1c(F)cccc1Cl 3236025 KTWIROBCIXTJJZ-UHFFFAOYSA-N 319.550 4.433 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3560990 BIDRYMJBCKCYOO-UHFFFAOYSA-N 309.287 4.400 0 40 DIAB CC(C)(C)c1ccc(CN2C3=NCCN3c3ccccc32)cc1 4607734 JHMDZWAJFVAQEN-UHFFFAOYSA-N 305.425 4.180 0 40 DIAB O=C(c1ccccc1)N1[C@H]2CCCC[C@@H]2S[C@@H]2CCCC[C@H]21 5101118 OVVFTWHENPMSBS-USTZCAOPSA-N 315.482 4.498 0 40 DIAB CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1 5938597 VQEVVPGBRMSMSH-UHFFFAOYSA-N 316.813 4.069 0 40 DIAB CC[C@@H](C)n1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 6016524 WNVVRBNEHYWVHG-SECBINFHSA-N 308.472 4.360 0 40 DIAB C[C@H](NC(=O)Nc1cccc2ccccc12)[C@H](O)c1ccccc1 6850968 SIYQECJNYRMVSG-LIRRHRJNSA-N 320.392 4.083 0 40 DIAB C[C@H](SCC(=O)Nc1c(F)cccc1F)c1ccccc1 7211440 IZEAYXHERVASMF-NSHDSACASA-N 307.365 4.398 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 10258453 ZWBVHXIMSRUTHG-UHFFFAOYSA-N 312.156 4.041 0 40 DIAB COc1cccc(-c2n[nH]c(-c3cccc(OC)c3)c2Cl)c1 12357677 SNPDWSBWLYODCV-UHFFFAOYSA-N 314.772 4.414 0 40 DIAB Cc1ccc(NC(=O)CCCC(=O)c2cccs2)c(C)c1 12918852 FKAIFAXCCPYIQA-UHFFFAOYSA-N 301.411 4.357 0 40 DIAB CC(C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12985399 BENFVLQEZCBBCN-WPUWVODUSA-N 305.421 4.056 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 13932680 PYDOXKXBBPUMKK-CQSZACIVSA-N 314.454 4.360 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 14013494 FPCAWRMQWABBJI-QGZVFWFLSA-N 313.397 4.190 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14397864 IDBQTDAUYRRABA-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccncc2)cc1 19557613 YGWJEVISINCSQM-TUFLPTIASA-N 322.452 4.152 0 40 DIAB c1ccc(-n2cnc(SCc3cccc4cccnc34)n2)cc1 21757350 JJQKILCBCCXERF-UHFFFAOYSA-N 318.405 4.108 0 40 DIAB O=C(Oc1ccc2ccccc2c1)c1cccnc1N1CCCC1 21763087 HKXPQYKWPQLIQI-UHFFFAOYSA-N 318.376 4.054 0 40 DIAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)o1 22283767 MYKWSSWSBCLSPC-UHFFFAOYSA-N 317.801 4.386 0 40 DIAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2cccc(F)c2)c1 32721157 NMDGDCFGVVCTGD-UHFFFAOYSA-N 301.361 4.010 0 40 DIAB CCOc1ccc(NC(=O)c2c(C)noc2-c2ccccc2)cc1 35671399 UGZMKPDVOSNDIO-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Cc1ccc(C)c(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 38833436 YCZKGUPXLOHIJY-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB COCc1ccccc1CNC(=O)Nc1c(C)cc(C)cc1C 40525459 ACBDJOPWMTWCMN-UHFFFAOYSA-N 312.413 4.080 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCCC(C)(C)C2)c1 44900367 LWSRLJUBYLLQDJ-MRXNPFEDSA-N 303.446 4.028 0 40 DIAB CCCOc1ccc(CNc2ncnc3ccccc23)cc1OC 47461139 NRUAJTBBBZIJPO-UHFFFAOYSA-N 323.396 4.039 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(F)(F)F 48545860 WRERPODSXQZXLS-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc2ccccc12 71280824 OFSQSKBSVXSCKT-HNNXBMFYSA-N 321.380 4.034 0 40 DIAB CCCSc1nnc(COc2ccc(Cl)cc2Cl)o1 72750150 CYQYUAJGRWHBDF-UHFFFAOYSA-N 319.213 4.458 0 40 DIAB COc1ccc(-n2c(-c3cccc(N)c3)nc3ccccc32)cc1 73739945 ZMQQNFCDWHXLFO-UHFFFAOYSA-N 315.376 4.283 0 40 DIAB O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 91676185 JWKYUZAQKFDNFR-PWSUYJOCSA-N 314.303 4.169 0 40 DIAB Fc1cc(Cl)cnc1Oc1ccc(Br)cc1 94051991 MDNBMPNFYRFJBY-UHFFFAOYSA-N 302.530 4.429 0 40 DIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1c(Cl)cccc1Cl 95096025 MWYWTGGYPQDKOB-WKEGUHRASA-N 301.091 4.012 0 40 DIAB COc1c(C)cc([C@H](O)c2ccccc2Br)cc1C 95730079 QSEOQHBAKYPSMX-HNNXBMFYSA-N 321.214 4.156 0 40 DIAB Cc1ccc(-c2cncc(C(=O)Nc3ccccc3F)c2)cc1 158355676 SEHWVPAFCXHMGZ-UHFFFAOYSA-N 306.340 4.448 0 40 DIAB O=C(CCc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 199736837 IOGSOTMVEACUBG-UHFFFAOYSA-N 306.720 4.023 0 40 DIAB O=C(Cc1cccs1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211079024 QOCNLSNPUANMNX-OAHLLOKOSA-N 317.429 4.226 0 40 DIAB Cc1ccccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225016577 BYNZCWHGXRSGMY-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB CCc1ccc(CC)c(CNC(=O)Cc2cccc(Cl)c2)c1 225553150 FXXVJCHBJIKOAZ-UHFFFAOYSA-N 315.844 4.324 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCCCC2)cc1C 408680330 RFIXXPDHRVGCPO-INIZCTEOSA-N 303.446 4.300 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2cnc3onc(C(C)C)c3c2)cc1 514495149 BTNWQCCHEZKLIC-CYBMUJFWSA-N 323.396 4.146 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1ccc2ncsc2c1 575607747 CDNSOLGIXWGTPX-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 247538 IRAGEEMDWRXYPS-UHFFFAOYSA-N 322.360 4.008 0 40 DIAB CCCCOC(=O)/C=C/c1ccc2c(c1)C(=O)c1ccccc1-2 2049973 PUFNHUKZOJSGKB-PKNBQFBNSA-N 306.361 4.255 0 40 DIAB c1nc(Oc2ccc3c(c2)CCC3)c2c3c(sc2n1)CCC3 3344363 SYYPRUGCJWTQNS-UHFFFAOYSA-N 308.406 4.461 0 40 DIAB COc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4913757 MCFKHWDSHTUKCG-MRXNPFEDSA-N 319.360 4.028 0 40 DIAB COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 5355526 DYMPVGYZHSPLAM-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB Cc1ccc(Nc2nnc(SCc3cc(C)on3)s2)cc1 5702211 MVUJYKFOCOSQQA-UHFFFAOYSA-N 318.427 4.179 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(F)cc1F 6216984 XFNJFTWGORFXSG-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc2ccccc2c1 6261587 KLPULLHFBSJCMY-UHFFFAOYSA-N 316.316 4.109 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl 6284726 KIYXVZMPPXIFMS-LLVKDONJSA-N 324.207 4.077 0 40 DIAB C[C@@H](NC1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6837441 BJFCKKMOTKTDQM-OAHLLOKOSA-N 324.424 4.338 0 40 DIAB O=C1C[C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)n[nH]c2N1 8971065 QUSFTHRHFBGUDH-AWEZNQCLSA-N 323.783 4.204 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 9141878 DMXHNUCJWXGPCS-UHFFFAOYSA-N 310.397 4.096 0 40 DIAB Fc1ccc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1 9704149 HLSOTOVBDYJZFV-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB c1ccc2c(Nc3ccc(N4CCCCC4)cc3)ncnc2c1 12082585 SRVUAEVUFDJLMU-UHFFFAOYSA-N 304.397 4.364 0 40 DIAB CSc1ncccc1C(=O)Nc1ccccc1C(C)(C)C 12926911 IMZJEHFMDIVGEH-UHFFFAOYSA-N 300.427 4.353 0 40 DIAB C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 13617620 ADBLCXKVLSFZLV-RHMWETHNSA-N 315.363 4.192 0 40 DIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 14013242 COIZDHUDLLEQRV-SFHVURJKSA-N 313.397 4.190 0 40 DIAB CCC(CC)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 14239928 DFZMUNQFYPSQIZ-UHFFFAOYSA-N 316.449 4.054 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccco3)ccc2c1 17790837 OWWUPFBHZCKQIQ-AWEZNQCLSA-N 323.392 4.204 0 40 DIAB Cc1noc(C)c1CSCC(=O)Nc1cccc(Cl)c1C 22888988 XYQNFLVKVVBTIB-UHFFFAOYSA-N 324.833 4.125 0 40 DIAB CCOc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 26505484 YCAOEXHVPULYHK-UHFFFAOYSA-N 311.410 4.163 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1ccccc1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 36384094 KPJXVODWPNPRQB-BJJPWKGXSA-N 315.463 4.089 0 40 DIAB Cc1nc2ccc(NC(=O)N(C)Cc3ccccc3)cc2s1 40103278 KHXNRDNPHJJXNJ-UHFFFAOYSA-N 311.410 4.269 0 40 DIAB Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1C 49467923 GANNKJUGJZSKSZ-UHFFFAOYSA-N 308.360 4.225 0 40 DIAB CCCOc1ccc(NC(=O)N[C@@H](C)c2cccnc2)c(C)c1 56747452 MKYPJJDMQAUQHE-AWEZNQCLSA-N 313.401 4.062 0 40 DIAB CCN(CC)C(=O)CSCc1c(Cl)cccc1Cl 57684150 SOKAHMIVKPOIIH-UHFFFAOYSA-N 306.258 4.095 0 40 DIAB O=C(Nc1cccc(-n2ccnc2)c1)c1sccc1C1CC1 58323579 XQJXWKCACSHQBK-UHFFFAOYSA-N 309.394 4.064 0 40 DIAB Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)cnc1Cl 72217788 JEBKXIACTOOXNG-OAHLLOKOSA-N 300.789 4.021 0 40 DIAB COC(OC)c1ccc(-c2ccc(Br)cc2)cc1 95740177 ZMYJIDZXVVGDHL-UHFFFAOYSA-N 307.187 4.408 0 40 DIAB C[C@H](Nc1ccccc1)c1ccc(OCc2nccn2C)cc1 95969389 KRLYXEYVUZHCKM-HNNXBMFYSA-N 307.397 4.172 0 40 DIAB CCOC(=O)c1sc(-c2ccccc2N)nc1-c1ccccc1 98071533 GWCRVJVKGXRRNI-UHFFFAOYSA-N 324.405 4.236 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 113954003 YXLYXTWBRXUKJA-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB COc1ccc2ccccc2c1-c1nc2ccc(C(=O)O)cc2[nH]1 150229510 PQWUGPBXPMLFPG-UHFFFAOYSA-N 318.332 4.090 0 40 DIAB CCOC(=O)c1ncc(-c2ccc(C(F)(F)F)cc2)s1 199567523 UQMPPZMZYAHKQI-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB O=C(/C=C/c1cccs1)N1CCS[C@@H](c2ccco2)CC1 207005554 XMQKOAIOQGYMTO-LLYBFZRZSA-N 319.451 4.061 0 40 DIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)C(C)C 225230367 ZPFZWGMWDHROSA-RHSMWYFYSA-N 305.462 4.302 0 40 DIAB CC[C@@H]1CN1P(=O)(Oc1ccc(Cl)cc1)N1C[C@H]1CC 299813976 NFZXLYSASXHKHZ-YYKRIWSCSA-N 314.753 4.015 0 40 DIAB Cc1cc(CN2CC[C@@H](c3ccccc3)C2(C)C)oc1C(=O)O 576233994 QDLMPGUZOMPOSW-INIZCTEOSA-N 313.397 4.054 0 40 DIAB C[C@@H](C(=O)c1ccccc1)n1ccc2cc(Cl)ccc2c1=O 38333 WNPKVDVLMGLNKJ-LBPRGKRZSA-N 311.768 4.099 0 40 DIAB CC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 64446 VIXABUZQBZJBQN-UHFFFAOYSA-N 319.360 4.060 0 40 DIAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccco2)[C@H]3CCC1 105643 XSZKMVULZBSSNU-KRWDZBQOSA-N 320.392 4.076 0 40 DIAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1C1CCCCC1 528833 UDNNIJBLRQHNPK-UHFFFAOYSA-N 301.777 4.036 0 40 DIAB COc1ccccc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 817737 OXVPBLHCFGYGPO-LJQANCHMSA-N 305.381 4.148 0 40 DIAB O=S(=O)(c1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1ccccc1 1725447 VDIAJAOJFDLKAO-RTBURBONSA-N 308.402 4.170 0 40 DIAB Cc1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 2755155 DNPHDVAJFZBUFF-UHFFFAOYSA-N 314.332 4.218 0 40 DIAB CCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 4699579 RCVXXALGIIIYFL-UHFFFAOYSA-N 307.349 4.117 0 40 DIAB Cc1c(C(C)C)c2ccccc2n1CC(=O)NCc1ccccc1 6959916 NMBAJDCMWMZBSY-UHFFFAOYSA-N 320.436 4.390 0 40 DIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1ccccc1F 7654063 QPWXPGUIYYXOQA-JXMROGBWSA-N 323.289 4.174 0 40 DIAB CCC[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688780 QDTAUWRHINJFPM-VIFPVBQESA-N 310.369 4.463 0 40 DIAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccsc2)c(Cl)c1 7927145 BQMZHPUVSRHULV-UHFFFAOYSA-N 322.861 4.089 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc1C 8499498 KMIVWBGUTVGBOB-MRXNPFEDSA-N 301.430 4.077 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 8560361 OYYBNXMPRSDSIP-UHFFFAOYSA-N 321.380 4.388 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1 16200028 LRPBPXBJLKEITR-UHFFFAOYSA-N 311.410 4.018 0 40 DIAB CN(Cc1ccc2ccccc2c1)Cn1cnc2ccccc21 18898098 XGZZMOYKUCSOEL-UHFFFAOYSA-N 301.393 4.279 0 40 DIAB Nc1ccccc1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 22119804 KMKDZBICCGNDJG-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Cc1ccc(-n2nc(C)c(NC(=O)Nc3ccccc3)c2C)cc1 24975629 JRBMUMUKWHZRBJ-UHFFFAOYSA-N 320.396 4.442 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc(F)c(F)c1F 28210613 XQGLDXXGDWTQKP-UHFFFAOYSA-N 315.678 4.018 0 40 DIAB COc1cc([C@H](C)NC(=O)C[C@H]2C=CCC2)ccc1OC(C)C 32914548 KYYAUFHXNMNCEQ-GJZGRUSLSA-N 317.429 4.016 0 40 DIAB CC[C@@H](CNC(=O)Cc1cccc2cccnc12)c1ccccc1 40034508 RWOLUOVNYTVCQN-INIZCTEOSA-N 318.420 4.087 0 40 DIAB Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40526404 YXEOJMDZGSXEAH-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1F 44194822 KZIQYDQSEOJPLK-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB O=C(c1ccccc1)c1cc(Br)cc(Cl)c1O 52068489 XCSAGHKKPKXMJR-UHFFFAOYSA-N 311.562 4.039 0 40 DIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 56340479 GFECTNAGRIYKAA-UHFFFAOYSA-N 324.424 4.038 0 40 DIAB Cn1ccc2c(C(=O)N3CCC(c4ccccc4)CC3)cccc21 61721554 YROMAVWBQBFKEK-UHFFFAOYSA-N 318.420 4.198 0 40 DIAB CN(C)C(=O)c1ccc(CSc2ccnc3ccccc23)cc1 74016355 ODGXENLYMUBSOO-UHFFFAOYSA-N 322.433 4.229 0 40 DIAB COC1=CCC2=C(C1)C[C@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302221 YHUKDDAMJMEQCF-BQTMGCTQSA-N 302.458 4.450 0 40 DIAB in-vitro CCCC[C@H](CC)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 95418241 LMKLPCFMDRXSKF-KBPBESRZSA-N 307.409 4.120 0 40 DIAB CC(C)c1nnc(CNc2c(F)cc(Cl)cc2Cl)o1 97081228 OQRANMPTBUICSQ-UHFFFAOYSA-N 304.152 4.251 0 40 DIAB C[C@@H]1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]12 118924663 XHGXHTGXZKYMDE-WVCYWSPPSA-N 304.474 4.205 0 40 DIAB O=C(CCc1ccccc1F)NCc1ccc2ccccc2c1 222819247 LNUPOMITPRMHGE-UHFFFAOYSA-N 307.368 4.228 0 40 DIAB Cc1cccc(CSCC(=O)NCCSC2CCCC2)c1 223732652 WTTSWLIQWMPMCA-UHFFFAOYSA-N 323.527 4.020 0 40 DIAB Cc1ccc(CCCNC(=O)CCc2ccc(C)c(C)c2)cc1 225094106 WQOWGBJIWYIPMD-UHFFFAOYSA-N 309.453 4.293 0 40 DIAB CC1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 225345621 AKRVSDDZWXGEGF-UHFFFAOYSA-N 300.229 4.185 0 40 DIAB O=C(CCCCCOCc1ccccc1)Nc1ccc(O)cc1 247857328 KLJATSWFKWUDEC-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)CO 257346095 QUQBOXYLXZAONE-UJCQGIJZSA-N 320.517 4.389 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1C 304225 UVCNIJHXQVVPMN-NSHDSACASA-N 318.804 4.318 0 40 DIAB CCC[C@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 2621986 UHQKECIGKBWRRF-LBPRGKRZSA-N 305.805 4.177 0 40 DIAB O=C(NCc1cccs1)c1ccccc1OCc1ccccc1 3367143 VWUNZOZMAHTVMN-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB CCCCCCNC(=S)Nc1ccc(Br)cc1 4608366 GKJHNPQNZRKRBV-UHFFFAOYSA-N 315.280 4.316 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)c1ccc(F)cc1)c1ccccn1 4869230 JUERKWWYIFOHDZ-ZDUSSCGKSA-N 310.328 4.222 0 40 DIAB COCCn1cc(NC(=O)Nc2ccccc2C)c2ccccc21 5266468 IJDYDEDPVZHQHX-UHFFFAOYSA-N 323.396 4.240 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1F 6010709 ACLMQPVAEDNCLF-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1C1CCCCC1 6609872 HFKLWIHLGKGYPV-UHFFFAOYSA-N 322.412 4.051 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 6657383 YESKGMSLYYXLEL-RVDMUPIBSA-N 313.378 4.393 0 40 DIAB O=C(O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 6744087 ZDMTTWOBEHFYKZ-UHFFFAOYSA-N 314.344 4.391 0 40 DIAB O=C(CCc1ccco1)Nc1ccc(OCc2ccccc2)cc1 6851560 JOLYYTQDERHUOK-UHFFFAOYSA-N 321.376 4.430 0 40 DIAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc12 7043156 QJKKSFDPFVMOBS-VLIAUNLRSA-N 318.420 4.406 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 7736745 ZRWUXTXECMCTGA-IVKJLDKCSA-N 313.441 4.030 0 40 DIAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccn2)c1 7885305 CZXDAACOKUYXOP-LJQANCHMSA-N 315.376 4.161 0 40 DIAB Cc1cccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)c1 8297474 ORSYAGJPUDBGQT-UHFFFAOYSA-N 322.389 4.116 0 40 DIAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)C1CC1 10148870 ATKWJNDEBCMGKK-UHFFFAOYSA-N 312.756 4.497 0 40 DIAB Cc1ccoc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 12680091 LYYHLKNGANVQFS-UHFFFAOYSA-N 301.676 4.095 0 40 DIAB Cc1ccc2cc(CSCCC(=O)O)c(Cl)nc2c1C 12771927 CMSRHNPXFGNQGV-UHFFFAOYSA-N 309.818 4.213 0 40 DIAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c(C)n1C1CC1 12814538 MRZMEGCDPOKJRE-CVEARBPZSA-N 300.446 4.092 0 40 DIAB Fc1ccc(COc2cccc(-c3n[nH]c(=S)o3)c2)cc1 13545441 HTDYANBDNKDDTD-UHFFFAOYSA-N 302.330 4.117 0 40 DIAB COc1cccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 15694962 RHRQKFGCFTYFIJ-NSHDSACASA-N 323.314 4.205 0 40 DIAB COC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)cs1 16322478 WMZFSSWEHOOPEN-QMMMGPOBSA-N 313.831 4.117 0 40 DIAB C[C@]1(C(=O)N2CCCSc3ccccc32)CC1(Cl)Cl 22191384 RMYQFMKXMSOIHB-CYBMUJFWSA-N 316.253 4.099 0 40 DIAB Fc1ccccc1CSc1nc(CCC2CCCC2)n[nH]1 28778485 ILWYGOLNIHWTNK-UHFFFAOYSA-N 305.422 4.359 0 40 DIAB Cc1cc(Nc2nccc(C(F)(F)F)n2)ccc1N1CCCC1 29525661 WKEMCHKTUWREST-UHFFFAOYSA-N 322.334 4.148 0 40 DIAB CCC1CCC(N(C)C(=O)c2ccc(OC(F)F)cc2)CC1 40070340 VCDUYCQJXGUUNM-UHFFFAOYSA-N 311.372 4.329 0 40 DIAB C[C@@H]1CCCN(c2nc(N3CCCCCC3)c3ccccc3n2)C1 41149310 BXRPZAUNNCENNG-MRXNPFEDSA-N 324.472 4.247 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc(COC)sc2C)cc1 58370252 HIDUFHHHTBNPKA-UHFFFAOYSA-N 304.415 4.004 0 40 DIAB CC[C@H]1c2ccsc2CCN1Cc1ccc2c(c1)OCCO2 58378513 CNRNBUFTIYOSQF-HNNXBMFYSA-N 315.438 4.029 0 40 DIAB CCc1nc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cs1 71794634 CBWCSYSDBNKQLK-UHFFFAOYSA-N 316.455 4.091 0 40 DIAB Cc1cncc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 72211370 HNTPZDWGWYAVJU-SFHVURJKSA-N 310.397 4.254 0 40 DIAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2sccc2C)S1 85412453 XEEOVKNRLQLYGC-GFCCVEGCSA-N 307.444 4.013 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 102047833 UIWZTPKHFWACRP-GOSISDBHSA-N 320.371 4.090 0 40 DIAB Cc1nnc([C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)o1 194582532 SGJLISFENHILLI-YFKPBYRVSA-N 323.727 4.299 0 40 DIAB CCSc1ccccc1C(=O)N(C)Cc1ccc(OC)cc1 219644982 LQHCQGUOJFPQPF-UHFFFAOYSA-N 315.438 4.079 0 40 DIAB CCCC(CCC)OC(=O)c1snnc1-c1ccccc1 223832317 PXHKNPWCZXOITO-UHFFFAOYSA-N 304.415 4.331 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCCCCC2)c1 225002322 CLCVRLPHOMHPTC-INIZCTEOSA-N 303.446 4.288 0 40 DIAB Cc1ccc(SCCNC(=S)Nc2cccc(F)c2)cc1 225286202 LHMHEISACRLKHP-UHFFFAOYSA-N 320.458 4.213 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 225322116 IQBFQDKKTVTVCK-BREBYQMCSA-N 314.376 4.180 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2C)cc1Br 125570 PUNUDLPHZYKVKN-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CSc1cccc(NC(=O)COc2ccc(C)cc2C)c1 365138 IOKLYWJCRWSYGG-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 566564 LJAADAIWAMUVQM-RIUOZJADSA-N 310.224 4.311 0 40 DIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 3314844 QGVPHWMENUKFSI-AWEZNQCLSA-N 317.816 4.017 0 40 DIAB CCc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)coc2c1 3330414 RKKJBXQTBOTAAP-AWEZNQCLSA-N 307.393 4.415 0 40 DIAB Cc1csc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 3446288 KDFVRPCKRTZLNU-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C[C@@H]1C 3536916 HTSIBWPMIFIITB-LBPRGKRZSA-N 314.816 4.038 0 40 DIAB O=C(CSCc1ccccc1)N[C@@H]1CCCc2ccccc21 3601953 IOXVUUUKSGMHKP-GOSISDBHSA-N 311.450 4.114 0 40 DIAB Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2C)cc1 4120351 BQBBVNUDIWBXRC-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CCCSc1sc(C(=O)OC)c2c1C(=O)CC(C)(C)C2 4284545 JPDCVCSAGCKJIF-UHFFFAOYSA-N 312.456 4.192 0 40 DIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NCC1CCCCC1 5034110 DKUYHGKYTKYCQJ-GFCCVEGCSA-N 318.442 4.005 0 40 DIAB CCn1cc(NC(=O)NCc2ccc(F)cc2)c2ccccc21 5266053 MAMVVFGTBKDGBR-UHFFFAOYSA-N 311.360 4.122 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 5671686 XPTLBALLUNMVBI-UHFFFAOYSA-N 311.381 4.053 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 5920483 JYMVBUMEEAQHDM-LLVKDONJSA-N 309.287 4.111 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccn1 8071723 ZUCHXBVBGWIMNH-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB COc1cc(CNC2CC2)ccc1OCc1cccc(Cl)c1 8471872 WUJUZWRDXVBPQT-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB CC[C@@H](C)c1ccc([C@H](NC(=O)c2cnccn2)C(C)C)cc1 19296033 PHKSJOIMCHLTBY-RDTXWAMCSA-N 311.429 4.117 0 40 DIAB Nc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 19771963 CNFZMJDWACQNKW-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1 20221031 YFPOQODETQDCHI-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB COc1ccc(N2C=C(C)C(C)=NN(c3ccccc3)C2=O)cc1 28526907 PJIFIAIVNUEYJR-UHFFFAOYSA-N 321.380 4.422 0 40 DIAB CC(C)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 32649732 KFCGSOVSHNXSME-UHFFFAOYSA-N 323.436 4.497 0 40 DIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccnc(Cl)c1 32769609 WIVCPECVCIGDHE-UHFFFAOYSA-N 316.788 4.309 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccncc1 42759148 BTQWPNLYGMONRD-AWEZNQCLSA-N 324.409 4.060 0 40 DIAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCCc3ccccc32)o1 42907884 CPNJVDWRIIMLMB-KRWDZBQOSA-N 307.397 4.145 0 40 DIAB CSc1ccccc1C(=O)c1cccc(Br)c1 43210226 BWDBMICIBGVUJL-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB COC(=O)c1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 58159002 KQTSHRLUEQNHEL-UHFFFAOYSA-N 320.348 4.031 0 40 DIAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1Cl 59408999 NZKQJVQNXMUVDT-INIZCTEOSA-N 318.829 4.436 0 40 DIAB CCc1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 60526371 KTAVSNUAUISVHW-UHFFFAOYSA-N 315.844 4.194 0 40 DIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(OC)c1 71844197 ZRJJKRIJMJWIIN-PMACEKPBSA-N 323.436 4.494 0 40 DIAB Fc1ccc(C2(CNc3ccc(Cl)cn3)CCOCC2)cc1 78653886 UNCODRIKUOLVMA-UHFFFAOYSA-N 320.795 4.034 0 40 DIAB Cc1cccc(-n2nc(C(C)(C)C)cc2NCc2cccnc2)c1 84213264 IUQYAELEFSMHCG-UHFFFAOYSA-N 320.440 4.485 0 40 DIAB O=C(c1cc(F)c(F)cc1F)c1ccccc1OC(F)(F)F 95917439 TZKRSFIVWDBZBV-UHFFFAOYSA-N 320.188 4.234 0 40 DIAB CCNc1ccc(Cl)cc1NC(=O)c1ccncc1Cl 95995419 ZAXGHEKEYRLLEA-UHFFFAOYSA-N 310.184 4.073 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261923 VUMGPIOQOVMRQU-WYUUTHIRSA-N 307.484 4.159 0 40 DIAB CC1=C(C)C[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 104732455 NEAOHZLVBJQPSH-RYUDHWBXSA-N 324.207 4.229 0 40 DIAB COc1ccnc(CN[C@H](C)c2ccc(-c3ccncc3)cc2)c1 195559729 VHTCPQXEKCMSDR-OAHLLOKOSA-N 319.408 4.003 0 40 DIAB Cc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222966310 KCUSIPYPSPJISC-MRXNPFEDSA-N 307.437 4.294 0 40 DIAB Cc1ccc(C)c(C[C@H](Oc2ccccc2Cl)C(=O)O)c1 225027889 QWOZIJPJTFHGFV-INIZCTEOSA-N 304.773 4.032 0 40 DIAB C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)O)ccc2O1 2037872567 FVPRFXIMIANBST-KRWDZBQOSA-N 320.747 4.114 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1ccccc1 129813 DEPHNPPMZIRNBU-ZIAGYGMSSA-N 317.816 4.293 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 260862 TZSIAQOHLBFQHM-UHFFFAOYSA-N 310.397 4.195 0 40 DIAB O=C(c1ccccc1)c1ccc(OC(=O)C2CCCCC2)cc1 383789 WPAUFFLEIDRADM-UHFFFAOYSA-N 308.377 4.403 0 40 DIAB biogenic Cc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1 455159 NNJQVTFINZWWKM-UHFFFAOYSA-N 301.440 4.496 0 40 DIAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl 482853 FPVXFCQCDTZDCG-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 730812 ZGYGVWXBZCXRJM-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CSc1ccccc1C(=O)c1cccc(CN2CC=CC2)c1 2515389 JNCKXAOYLPQKBZ-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB COc1ccc2nc(NC(=O)c3ccc(C)cc3C)sc2c1 2591074 TXAAJBSYZZTWHU-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1 3159670 KNLYOWNYLORLEP-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB C[C@H]1CCCCN1C(=O)COc1ccc2oc3ccccc3c2c1 3293473 SIASOHKQDHULND-AWEZNQCLSA-N 323.392 4.366 0 40 DIAB CCCNCCCC[C@H](C)Nc1cc(OC)cc2cccnc12 5422035 SIJRFQQXFFREFR-HNNXBMFYSA-N 315.461 4.214 0 40 DIAB COc1ccc(OC)c2c3c(ccc12)[C@@H](c1ccccc1)OC3=O 5813422 VDDXJAQZAMOPLW-LJQANCHMSA-N 320.344 4.117 0 40 DIAB Oc1cccc2c(NC(=S)NCc3cccs3)cccc12 7982720 WLNCTYSWQLSDHK-UHFFFAOYSA-N 314.435 4.094 0 40 DIAB Oc1ccccc1-c1nc(NCc2ccco2)c2ccccc2n1 13127514 JJFFMARTXFNMIY-UHFFFAOYSA-N 317.348 4.208 0 40 DIAB CN1CCc2c([nH]c3ccccc23)C[C@H](c2ccccc2)CC1 13679805 MEHMCAALFDXXGP-QGZVFWFLSA-N 304.437 4.372 0 40 DIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 13998554 XHQNRUZJHLELRV-UHFFFAOYSA-N 320.436 4.115 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc(OC(C)C)c2)c1 14796267 OZQHJCQCTQJMDG-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB Cc1ccc(SCC(=O)NCCc2ccc(Cl)cc2)cc1 16484117 MSNYWIDIAOVEIA-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB CN(Cc1ccsc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 17113841 HQMGWKHDCYBHNT-UHFFFAOYSA-N 318.486 4.106 0 40 DIAB Cc1ccc(C)c(C(=O)NCCSc2ccc(Cl)cc2)c1 18205406 QEUDDZDUANJKPI-UHFFFAOYSA-N 319.857 4.479 0 40 DIAB Cc1cccnc1NC(=O)c1ccc(C2SCCS2)cc1 18231246 JQHRWFBSBWKCOV-UHFFFAOYSA-N 316.451 4.121 0 40 DIAB Nc1nc(CSCc2ccc(Cl)cc2)nc2ccccc12 18266429 QSDZIDTVGBRNPT-UHFFFAOYSA-N 315.829 4.299 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2cccc(F)c2F)no1 19119428 IIBMZKQLZUKESU-INIZCTEOSA-N 306.356 4.379 0 40 DIAB CC(C)c1nn(CN(C)[C@H]2CCCc3ccccc32)c(=S)o1 32899433 XFKQRNWFBZOSOS-HNNXBMFYSA-N 317.458 4.296 0 40 DIAB Nc1ncc(C2(c3ccc(Br)cc3)CCCC2)s1 34791115 DNPJOZHPHVPXNB-UHFFFAOYSA-N 323.259 4.348 0 40 DIAB CCCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 36714438 FAOWYPPUKLAWJD-UHFFFAOYSA-N 316.470 4.316 0 40 DIAB CSC(SC)=C1CCC[C@H]2C1=NN[C@H]2c1ccccc1 51329756 KZGYSMOCJQUBEP-OCCSQVGLSA-N 304.484 4.425 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(F)cc2Cl)c(C)c1 51355897 ZQINIISWWOWLPK-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB COC(=O)c1cc(OCc2ccccc2C)c2cc(C)ccc2n1 64775169 DIAFZRHJNDEWCL-UHFFFAOYSA-N 321.376 4.217 0 40 DIAB Cc1nc2ccc(NC(=O)CCn3ccc4ccccc43)cc2o1 65620757 DPLFCXVJVNBXKB-UHFFFAOYSA-N 319.364 4.120 0 40 DIAB Cc1noc(C)c1CNCc1cc2cc(Cl)c(Cl)cc2[nH]1 75093177 CTMYWSLKZLXPBT-UHFFFAOYSA-N 324.211 4.369 0 40 DIAB Cc1nnc(SCc2nccs2)n1[C@@H]1CCC[C@@H](C)C1 95442208 BFMXPDQAOFJSQE-ZYHUDNBSSA-N 308.476 4.087 0 40 DIAB CCOC(=O)c1csc(Nc2ccc(Cl)cc2Cl)n1 95929471 GCECPIHOBALRRD-UHFFFAOYSA-N 317.197 4.370 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1Cl 104819851 OULKJLLVMHCPLP-SRVKXCTJSA-N 323.820 4.122 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)cc1 222787710 YIZJERFUAAYLJD-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223189419 OZYAIAUXHLBDSF-CYBMUJFWSA-N 313.828 4.249 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COC 224683787 BWTYXQZCZACTST-UHFFFAOYSA-N 313.397 4.046 0 40 DIAB Cc1cc(C)c(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c(C)c1 225137022 RUUSRNCQYXRLRW-LJQANCHMSA-N 312.409 4.303 0 40 DIAB Cc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 225536134 MXPHXZFKJVXYSP-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(F)cc1 225605158 HIOGHGNVHTZFDY-SNVBAGLBSA-N 309.743 4.038 0 40 DIAB COc1cc(C)c(C(=O)NCc2ccccc2C)cc1C(C)C 225656888 ZNRQCKYYBCNKTE-UHFFFAOYSA-N 311.425 4.365 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C 225709799 YGRVZHYSKYWFOS-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB Cc1cccc(CC(=O)N[C@H](C)Cc2cc3ccccc3o2)c1 245187620 ZRDXCFXHDDLTLO-OAHLLOKOSA-N 307.393 4.031 0 40 DIAB CC(C)N1CCC(c2cccc(-c3ccnn3C(C)C)n2)CC1 257240747 HUZWYVPSQHXZEJ-UHFFFAOYSA-N 312.461 4.114 0 40 DIAB O=C(NCc1nc(C2CCCCC2)cs1)c1cccs1 390829616 FKKFWSKMSUJKGP-UHFFFAOYSA-N 306.456 4.182 0 40 DIAB NC(=O)/C=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 409416185 CUJMMADTEXESRM-VURMDHGXSA-N 322.191 4.071 0 40 DIAB C[C@H](NC[C@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl 585118323 KKMSTLVSZCSZFC-DTWKUNHWSA-N 324.799 4.158 0 40 DIAB COc1cc(-c2ccc(N(C)C)cc2)cc(=O)c2c(C)oc(C)c12 490929 IHLUILYPGWTBNA-UHFFFAOYSA-N 323.392 4.151 0 40 DIAB biogenic Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 1113274 GJLVHYUEFZNZMG-IHRRRGAJSA-N 309.837 4.205 0 40 DIAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=O 3252758 BBNMZAQSIMQOMB-UHFFFAOYSA-N 303.576 4.013 0 40 DIAB O=C(CSc1ccc(-c2ccccc2)nn1)c1cccs1 4355472 ZCTMFGPZGXXKJE-UHFFFAOYSA-N 312.419 4.180 0 40 DIAB COc1ccc([C@@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 4515127 VLSQNZRVQHYUFC-INIZCTEOSA-N 319.813 4.127 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccncc1 5636347 WQSYWHZUYUXMFO-NEPJUHHUSA-N 320.845 4.093 0 40 DIAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc2ccccc12 6496266 HHPZULJALALOCK-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB COCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6822766 KVVMZPMDLIAZCB-UHFFFAOYSA-N 324.424 4.076 0 40 DIAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)cc3F)cc2C1 7781387 FADPNTLSSPCENZ-SECBINFHSA-N 307.365 4.403 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1cccc2cccnc12 7988843 DDDQWKPUEOTVIK-INIZCTEOSA-N 320.417 4.202 0 40 DIAB Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 8279183 XGTMQOHLYGXXIE-ZDUSSCGKSA-N 310.422 4.438 0 40 DIAB CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1 12824713 WUENLZNGXAWKLP-UHFFFAOYSA-N 310.184 4.052 0 40 DIAB CCOc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 13669075 WMWUXJXIPDRNFA-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB CCOc1cccc(NC(=O)CSCc2ccc(C)cc2)c1 13675504 SCYKOSKNTHHGEX-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB COc1ccc(C(C)=O)cc1CN1c2ccccc2CC[C@@H]1C 15303992 UOJCFKCHWCQWDL-AWEZNQCLSA-N 309.409 4.239 0 40 DIAB COc1cc2c(cc1NC(=O)c1ccoc1)oc1ccccc12 18230686 BBAWUROUERRRIO-UHFFFAOYSA-N 307.305 4.440 0 40 DIAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 19797746 VSHDKWGRXRFRMI-MHWRWJLKSA-N 320.373 4.409 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Nc2cccc3c2CCCC3)cc1 28795094 UWELITYCDMXKEM-AWEZNQCLSA-N 324.424 4.013 0 40 DIAB O=C(c1cc2c(s1)CCCC2)N1CC[C@H]2CCCC[C@H]2C1 32748040 JIACQZCFJQTGKL-HIFRSBDPSA-N 303.471 4.279 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccccc1N1CCCCC1 32958743 JKUDPHRCIQFROZ-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 33495420 GETMJTHVISZVKY-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB Cc1cc(OCCC2CCNCC2)c(Cl)c(C)c1Cl 42773699 VYESHQHCAHAHTE-UHFFFAOYSA-N 302.245 4.379 0 40 DIAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccc(C(F)(F)F)cc1 43879488 RENRMPYCHNGXOQ-CMPLNLGQSA-N 314.303 4.169 0 40 DIAB C[C@@H](Cc1ccco1)NC(=O)Nc1cccc(C(F)(F)F)c1 44444289 GWBOYQHYXXFWGJ-JTQLQIEISA-N 312.291 4.051 0 40 DIAB OCc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327478 LEACAANGXHEFLK-UHFFFAOYSA-N 321.092 4.220 0 40 DIAB CC(C)[C@H](NCc1nc(-c2cccs2)no1)c1cccs1 67766326 HNVJVRREAHFAKO-AWEZNQCLSA-N 319.455 4.347 0 40 DIAB CCOc1ccc(NC(=S)Nc2cccc(F)c2C)cc1 71325980 QGMOYNUGFHNOND-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CCc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccccc2)cc1 72329180 HSGZRWSRNZDLQU-CQSZACIVSA-N 319.408 4.130 0 40 DIAB Brc1ccc2nc(NCc3ccco3)sc2c1 75172867 BYVIQGAQNBVOCN-UHFFFAOYSA-N 309.188 4.264 0 40 DIAB CC(C)c1nnc(CN(Cc2ccoc2)C2CCCCC2)o1 78876531 VNEWZIFLUBIDCP-UHFFFAOYSA-N 303.406 4.121 0 40 DIAB Cc1ccc(Oc2ccccc2)c(NC(=O)c2ccncc2)c1 79056895 AHSJYJHJQZURJV-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB OC1CCC(N[C@H](Cc2ccccc2)C2CCCCC2)CC1 90800263 MUECINOJDURIQD-SOAGJPPSSA-N 301.474 4.071 0 40 DIAB CCc1c(C)nc2ccccc2c1NCCCn1ccnc1C 95993854 RPUSOPFCVBYYJF-UHFFFAOYSA-N 308.429 4.113 0 40 DIAB O=C(NCCC1=CCCCC1)c1cccc(Oc2ccccn2)c1 96122643 LEIAGKUUCRZZRW-UHFFFAOYSA-N 322.408 4.494 0 40 DIAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccsc2)CCS1 219285446 RQBHBQSAWSOVEE-MRXNPFEDSA-N 317.479 4.377 0 40 DIAB COc1ccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225655567 NGKIRDZENCGTNH-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 225764214 YHNKUDAWRTXCLM-LBPRGKRZSA-N 305.780 4.207 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253504219 DFQIPZIKAWWOOR-NTHNXFDUSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro O=C(CSCc1c(F)cccc1Cl)N1CCCCCC1 408546238 RSBTUNSJGRAOPM-UHFFFAOYSA-N 315.841 4.115 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(Cl)cc3O)cc2c1 409187851 VBRAABHAYMAZTN-UHFFFAOYSA-N 317.728 4.053 0 40 DIAB CC(C)c1ccc(NC(=O)Nc2cccc3c2OCCO3)cc1 551253096 RSHPOBGWNQWJRK-UHFFFAOYSA-N 312.369 4.225 0 40 DIAB O=C(c1ccccc1F)N(Cc1ccccc1)c1ccccn1 183545 YWQBMWARRXNJEW-UHFFFAOYSA-N 306.340 4.068 0 40 DIAB COc1cc2ncnc(Nc3ccc(C)c(C)c3)c2cc1OC 1386779 RBPYJYDXSQJZHI-UHFFFAOYSA-N 309.369 4.007 0 40 DIAB O=C1O/C(=C(\Br)c2ccccc2)c2ccccc21 1675847 MTRRVZKKXVBIFP-YPKPFQOOSA-N 301.139 4.078 0 40 DIAB CCCC(=O)c1cc(CP(=O)(OCC)OCC)c(C)o1 2252424 GROILNIFNBJSKQ-UHFFFAOYSA-N 302.307 4.337 0 40 DIAB C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]12C 3881976 UXYRZJKIQKRJCF-OBPRGFKZSA-N 304.474 4.205 0 40 DIAB biogenic CCCC(=O)N(Cc1ccccn1)c1nc2ccccc2s1 4304761 FVTKCXHVGDKOCI-UHFFFAOYSA-N 311.410 4.025 0 40 DIAB CCn1cc(NC(=O)Nc2ccc(OC)cc2)c2ccccc21 5266140 SSANEVVKIPMUJG-UHFFFAOYSA-N 309.369 4.314 0 40 DIAB C[C@@H](NC(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 5444022 CMLSSHAYTDPMOG-XUXNNNHQSA-N 301.405 4.160 0 40 DIAB Cc1cccc2c(CCNC(=O)c3ccc(Cl)cc3)c[nH]c12 5509077 ILKWXUSYXHCDOA-UHFFFAOYSA-N 312.800 4.102 0 40 DIAB CCc1ccccc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 5616176 AYPJHQBZEAAAJX-UHFFFAOYSA-N 319.788 4.172 0 40 DIAB COc1ccc(N(N=O)c2c(C)cc(C)cc2C)c(C(=O)O)c1 5707252 IRLNYBYYEZGUPA-UHFFFAOYSA-N 314.341 4.138 0 40 DIAB CCC(C(=O)[C@H](C)CN(C)C)(c1ccccc1)c1ccccc1 5964855 FGGFXBCANDWASR-QGZVFWFLSA-N 309.453 4.150 0 40 DIAB CC(=O)c1c(C)n(CCOc2ccccc2F)c2ccccc12 6721280 KQSJUBDSUAUKDP-UHFFFAOYSA-N 311.356 4.370 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccccc2C)CC3=O)cc1 6757782 GTKCTMJVHDNCDI-MRXNPFEDSA-N 316.404 4.402 0 40 DIAB O=C(NCCc1cccs1)c1cc(C2CC2)nc2ccccc12 8232348 PKXXJDXCSFMFOV-UHFFFAOYSA-N 322.433 4.146 0 40 DIAB O=C(O)c1nn(-c2ccccc2)c2c1CC/C2=C\c1ccccc1 12505504 LUIFIKCIOJNWNE-FYWRMAATSA-N 316.360 4.057 0 40 DIAB Cc1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)cc1N 12535205 XHZYTBYFKTVHSJ-UHFFFAOYSA-N 300.365 4.183 0 40 DIAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)oc2ccccc12 14141074 OCAPGHAICWVAEU-UHFFFAOYSA-N 318.376 4.195 0 40 DIAB CCCOc1ccc(NC(=O)c2ccc(F)cc2)c2cccnc12 15840911 CBDNOYZKJLQOLO-UHFFFAOYSA-N 324.355 4.415 0 40 DIAB Cc1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 18182548 QSZASLCRNWTTFV-UHFFFAOYSA-N 311.410 4.269 0 40 DIAB Cc1nc(-c2cccs2)c(CCC(=O)NC2CCCC2)s1 19819677 SZKGKFKNLKHDJN-UHFFFAOYSA-N 320.483 4.171 0 40 DIAB Cc1ccc(NC(=O)c2noc3c2CCCCC3)c(Cl)c1 20357114 BCFUZPTZKFWCGW-UHFFFAOYSA-N 304.777 4.158 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 20459931 QHNNNBFJTIPEGJ-INIZCTEOSA-N 311.425 4.122 0 40 DIAB C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccccc1 21960593 VAOFTRQCMMAQMV-HNNXBMFYSA-N 321.376 4.350 0 40 DIAB CC(C)(C)C[C@@](O)(COc1ccc(Cl)cc1)c1cccnc1 22115031 YSQWYKYIKMWZAL-GOSISDBHSA-N 319.832 4.438 0 40 DIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cccc2ccccc12 22326657 DARBUEVJUPGIAW-UHFFFAOYSA-N 317.392 4.087 0 40 DIAB O=C(c1cc(F)cc(F)c1)N1CCC(Cc2ccccc2)CC1 22327800 NTPUCKKMPXRGDD-UHFFFAOYSA-N 315.363 4.060 0 40 DIAB CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCCc2ccccc21 23151233 PCNGRNRUSRSBHH-KRWDZBQOSA-N 301.336 4.114 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)CCc1ccsc1 24637114 STGQZWDOTORWGA-UHFFFAOYSA-N 309.818 4.290 0 40 DIAB COc1ccc(-c2csc(C3CC3)n2)cc1Br 28335012 ZFHFCAKRLLRZDW-UHFFFAOYSA-N 310.216 4.459 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 28468035 VBZBMXJFYSNUTM-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB Cc1ccc([C@H]2CCCN2c2nccc(C(F)(F)F)n2)cc1 29525745 UVPCVWVRMXFHET-CYBMUJFWSA-N 307.319 4.145 0 40 DIAB CCCSc1nnc(NC(=O)c2cc3ccccc3o2)s1 40977844 OICGJSSNPJOPHS-UHFFFAOYSA-N 319.411 4.039 0 40 DIAB Clc1ccc(-n2cnnc2)cc1-c1nc2ccccc2s1 45887011 DPFDOOXDUZEEKM-UHFFFAOYSA-N 312.785 4.197 0 40 DIAB Brc1ccsc1CNc1cnc2ccccc2n1 58555456 JEHBHSKTNLDYKW-UHFFFAOYSA-N 320.215 4.066 0 40 DIAB COc1ccc(Cl)c(NC(=O)c2ccc3ccccc3n2)c1 64843495 YZZKJEYRCRWGLF-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CCCOC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1 70462646 NMCUOZKUQIVMOV-UHFFFAOYSA-N 310.825 4.234 0 40 DIAB CCN(C(=O)CCc1csc(C)n1)[C@@H](C)c1ccc(F)cc1 71903474 UKGSCTFUYBHOHJ-LBPRGKRZSA-N 320.433 4.133 0 40 DIAB S=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)s1 78518756 VRGVGOOVBBLQQH-UHFFFAOYSA-N 312.423 4.014 0 40 DIAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1cccc(Cl)c1 79485665 ZCBBFCGXSYBXIP-UHFFFAOYSA-N 311.772 4.346 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N2CCc3ccsc3C2)cc1 89639206 YMDWAIIBZZQMNJ-ZDUSSCGKSA-N 317.479 4.122 0 40 DIAB O=C(Nc1cncc2ccccc12)[C@@H]1CSc2ccccc21 89762385 CCYVTNWHEUMXNO-OAHLLOKOSA-N 306.390 4.063 0 40 DIAB CCC[C@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccccn1 95980742 KRUHQHKDTUHBQG-PXNSSMCTSA-N 309.457 4.181 0 40 DIAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cccs1 96117491 GDOQWYNAIITPNE-CQSZACIVSA-N 314.385 4.176 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101398299 QAPNWNUZRUXEPP-CVXDVXMKSA-N 321.848 4.048 0 40 DIAB CCOc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1OC 107697309 BCISRMNFTQYEIG-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB O=C1CS[C@@H](c2ccccc2)N1c1nc2ccccc2s1 138957279 FVPUXMIHNOBJMF-HNNXBMFYSA-N 312.419 4.075 0 40 DIAB Oc1ccc(-c2nc3ccccc3s2)cc1Br 146090237 BHMCSGOGPWTLIR-UHFFFAOYSA-N 306.184 4.431 0 40 DIAB Cc1cc(Br)c2[nH]c(-c3ccc(N)c(C)c3)nc2c1 216917580 LDJYIQNHRZAEOU-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cccs2)CCS1 219280544 NRMMTBXACXJGNV-HNNXBMFYSA-N 317.479 4.377 0 40 DIAB NC1=NN(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(F)cc2)C1 222548635 BQYDTSDJQOGKBB-CQSZACIVSA-N 323.293 4.068 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c(N)c1 226347894 XCTRFHLRFQCESJ-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 226365384 ZLJITYKPFBTNMV-UHFFFAOYSA-N 312.756 4.435 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(F)cc2s1 1268714 FOXOGWNFYOAZFH-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 2069694 LEBMQMZVVNCPFV-UHFFFAOYSA-N 324.829 4.405 0 40 DIAB O=C(NCc1cccs1)c1cccc(Oc2ccccc2)c1 2561959 JKLVSWSLRNAYPO-UHFFFAOYSA-N 309.390 4.470 0 40 DIAB COc1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21 3208823 KEBOTHYJZDPPDA-OAHLLOKOSA-N 312.438 4.059 0 40 DIAB CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 3311228 QNYWPVWSJJKVFS-UHFFFAOYSA-N 316.817 4.013 0 40 DIAB Cc1cccc2sc(NC(=O)Cc3ccccc3Cl)nc12 3558856 LHZJSQCKIMCJEN-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCCC1 3571842 RBVGHRGLDHWTNA-INIZCTEOSA-N 308.425 4.167 0 40 DIAB O=C1c2ccccc2C(=O)N1c1cccc(Oc2ccccc2)c1 4199273 OJVRXCFUGGNQQM-UHFFFAOYSA-N 315.328 4.280 0 40 DIAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(F)cc1 4678472 JFCCWSMWTVYHJD-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB Cc1cc(NC(=O)/C=C/c2ccco2)c(C)cc1Br 6255260 LMBCZXXDAHXLFH-AATRIKPKSA-N 320.186 4.311 0 40 DIAB CCCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)sc1C 6336489 FRQZGQFZFKOJOS-UHFFFAOYSA-N 316.426 4.220 0 40 DIAB CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 6413081 HJNYAPDNOUWKJX-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB c1ccc2c(c1)ncn1nc(CC34CC5CC(CC(C5)C3)C4)nc21 6941947 LXIQDDBVAZZIGG-UHFFFAOYSA-N 318.424 4.036 0 40 DIAB CC(=O)c1cccc(OCc2ncc(-c3ccc(F)cc3)o2)c1 9503407 SWGXMEKJTYMHOR-UHFFFAOYSA-N 311.312 4.262 0 40 DIAB Cc1cc([C@H]2CCCCCN2C(=O)c2c(F)cccc2F)on1 12133866 IGXUBOMDPAOSPR-CQSZACIVSA-N 320.339 4.019 0 40 DIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12934719 NWQCGPRJLYJRBC-AWEZNQCLSA-N 307.368 4.399 0 40 DIAB CSc1ccccc1NC(=O)CSc1ccccc1C 13009373 IFWGVMHLVIOLDF-UHFFFAOYSA-N 303.452 4.448 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 13932628 CYCITDGMSFWXJX-LLVKDONJSA-N 320.845 4.396 0 40 DIAB CC(C)(C)c1cc(O)c(O)c(CN2CCc3sccc3C2)c1 14309328 HVOFOUHHMLRWEM-UHFFFAOYSA-N 317.454 4.015 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 15361042 GUMGHZFIARDCFC-CQSZACIVSA-N 317.816 4.041 0 40 DIAB Cc1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1 20237918 ANAPISXNJFSALB-UHFFFAOYSA-N 313.466 4.161 0 40 DIAB Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 20343494 GUTSTICUBAYISR-UHFFFAOYSA-N 302.377 4.039 0 40 DIAB C[C@H]1CCc2sc(C(=O)Nc3nc4c(s3)CCC4)cc2C1 23040841 NBDHDXVZJJFFOF-VIFPVBQESA-N 318.467 4.070 0 40 DIAB CCn1c(NC(=O)Nc2ccc(C)cc2C)nc2ccccc21 27923328 MDWKTANJYLKWCN-UHFFFAOYSA-N 308.385 4.317 0 40 DIAB COC(=O)c1oc(CN2CCC[C@H]2c2ccccc2C)cc1C 40153676 AONSGHUSWDDFPH-KRWDZBQOSA-N 313.397 4.020 0 40 DIAB CSc1ccccc1C(=O)c1ccccc1Br 43210225 QGKRZJQFUIOYPU-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB Cc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)s1 47542949 BKSLPCZNELOANE-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 59351215 WGFGMGGLNSYYQX-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB c1ccc(OCC2CC2)c(CNCc2csc(C3CC3)n2)c1 69877233 YTOLTHCVNBUPEV-UHFFFAOYSA-N 314.454 4.099 0 40 DIAB Cc1cc(C)c(NC(=O)Cn2ccc(-c3ccccc3)n2)c(C)c1 71405226 OZOOXPNVZMNYRA-UHFFFAOYSA-N 319.408 4.114 0 40 DIAB CCC(C)(C)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 72309477 GCTVPMHDPSTHNA-UHFFFAOYSA-N 310.397 4.228 0 40 DIAB COc1ccc2[nH]cc(C(=O)c3ccccc3C(F)(F)F)c2c1 199721102 HVOCGEGLXKKURV-UHFFFAOYSA-N 319.282 4.426 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223212592 DUTPLQYTMLZYHP-BLLLJJGKSA-N 307.409 4.116 0 40 DIAB CC(C)NC(=O)c1ccc(Nc2ccc(C(C)C)cc2)c(N)c1 225421088 HTYVNKGNGVSLTD-UHFFFAOYSA-N 311.429 4.274 0 40 DIAB CC(C)N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 409056577 HKIJAXZHODVADI-WZUFQYTHSA-N 316.209 4.438 0 40 DIAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/C=C/c1ccco1 409104492 FINFZCDCWLEPQH-LFXCGDNUSA-N 305.255 4.347 0 40 DIAB CCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583652088 YFEXAGVFOUCRRH-UHFFFAOYSA-N 311.381 4.325 0 40 DIAB Cc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1 1083103439 CMXYQDXKZWLCJH-UHFFFAOYSA-N 302.333 4.390 0 40 DIAB CN1CC[C@](OC(=O)c2ccccc2)(c2ccccc2)C(C)(C)C1 80851 ZKZBUCGVJVYHEN-NRFANRHFSA-N 323.436 4.101 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)c(OC)c1 147323 YKSCAJLNAMQKEJ-CSKARUKUSA-N 317.772 4.009 0 40 DIAB c1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 508255 MFCXPCDQKWTHJE-UHFFFAOYSA-N 312.332 4.229 0 40 DIAB CCCCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 2365943 WYYHGQQQPNCIDI-UHFFFAOYSA-N 311.341 4.125 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2ccc(C)cc2C)c1 2517482 HSELHLWKYJJDER-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1nc2ccc(C(=O)Nc3ccccc3Cl)cc2nc1C 3097407 HOYWAHYJJQLFSE-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB O=c1[nH]c(-c2cccc(Oc3ccccc3)c2)nc2ccccc12 5177942 UHKDNFPYJHFJLV-UHFFFAOYSA-N 314.344 4.382 0 40 DIAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 5337300 WDBNTYPRRJAYJT-WJDWOHSUSA-N 324.405 4.101 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nccn1C 5359377 BCAAUHQOEMKKLA-STQMWFEESA-N 317.458 4.053 0 40 DIAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6871704 XUCUUSDIHUJLCZ-UHFFFAOYSA-N 300.365 4.129 0 40 DIAB O=C(NOCc1ccccc1)C(c1ccccc1)c1ccccc1 8096681 UKGFGVMYGBTFIH-UHFFFAOYSA-N 317.388 4.067 0 40 DIAB Cc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 8279185 XGTMQOHLYGXXIE-CYBMUJFWSA-N 310.422 4.438 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccccc2F)o1 8304393 NPOPVVCXPGWDCR-WFASDCNBSA-N 301.361 4.394 0 40 DIAB CC(C)Oc1cccc(NC(=O)COc2ccccc2Cl)c1 10715460 NJEGYDPMSPSHRZ-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB CC[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 11321746 NGWSNCWIAHQIAI-OAHLLOKOSA-N 307.365 4.474 0 40 DIAB O=C(CSc1ncc2ccccn12)c1ccc2ccccc2c1 12539505 JUWSYVIDGQEFDR-UHFFFAOYSA-N 318.401 4.463 0 40 DIAB c1coc(CN(Cc2ccco2)c2ncnc3sccc23)c1 12922629 JHUPNQWXECBTRD-UHFFFAOYSA-N 311.366 4.084 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1 20459622 WKEVBTBTWQYWRY-INIZCTEOSA-N 313.466 4.496 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 24957999 HZNSKHRQRNWZBB-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB Cc1ccc([C@H](c2c(C)[nH]c3ccccc23)N2CCOCC2)cc1 28466920 SEMHWXKEVPSYOZ-OAQYLSRUSA-N 320.436 4.206 0 40 DIAB c1csc([C@H]2NCc3c(sc4c3CCC4)-n3cccc32)c1 32919306 HXWQTTOWNKEGJJ-INIZCTEOSA-N 312.463 4.282 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(C3CC3)nc2c1 33213827 ACMFYNQOXCVANK-IZZDOVSWSA-N 304.349 4.357 0 40 DIAB Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21 33902771 UAFWJQYZZIJGPD-UHFFFAOYSA-N 304.777 4.069 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)c1ccccc1 35568032 OAFZPVSSZNZDSU-KBPBESRZSA-N 317.816 4.027 0 40 DIAB Cc1cc(-c2ccc(/C=C/C(=O)O)o2)c(C)cc1Br 45957918 ROMDKSNLJOVMKI-GQCTYLIASA-N 321.170 4.424 0 40 DIAB O=C(CN1CCC[C@@H]1c1cccs1)c1c[nH]c2ccccc12 58160665 NPKJOTVMFYXYSC-MRXNPFEDSA-N 310.422 4.249 0 40 DIAB COc1ccc([C@H](C)N(C)CCO[C@H]2CCCC[C@H]2C)cc1 58932660 QTNWFIKCEJOOLS-GJYPPUQNSA-N 305.462 4.283 0 40 DIAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1Cl 59409091 UUEVWFQEVDYEFV-OAHLLOKOSA-N 304.802 4.045 0 40 DIAB CSc1nnc(CN[C@H](c2ccccc2)C2CCCC2)s1 69622544 YLEHGSMKEWWFEF-OAHLLOKOSA-N 319.499 4.281 0 40 DIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]21 71771265 AZQAIRJYCUWZPD-VYJAJWGXSA-N 300.442 4.302 0 40 DIAB CC(C)(C)CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375165 UAVZLYLQFSRSDA-CQSZACIVSA-N 316.474 4.465 0 40 DIAB C[C@H](N[C@H](C)Cc1ccccc1Br)c1cccnc1 90400557 UANMGTAHITXXOQ-OLZOCXBDSA-N 319.246 4.126 0 40 DIAB Cn1ccnc1CNc1cccc(Cl)c1SC(F)F 95412015 MNVMUVJHTHUCQQ-UHFFFAOYSA-N 303.765 4.000 0 40 DIAB CCS[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 118247534 XXNXGFNAEVNSQA-KRWDZBQOSA-N 300.379 4.110 0 40 DIAB O=C(Cc1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 211078988 QOCNLSNPUANMNX-HNNXBMFYSA-N 317.429 4.226 0 40 DIAB CCCOCc1cc(C(=O)NC2CCCCCC2)ccc1OC 224410451 SLBQLDACENMURI-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB Cc1c(Cl)cccc1C[C@H](Sc1ccccc1)C(=O)O 225072060 CXBAPCWRANJKDK-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB Cc1cc(C)c(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c(C)c1 225135953 MUXFFPXMFKACGE-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCCOC(=O)c1cc(N)ccc1NCCC1=CCCCC1 225456650 VJXGDDGFWGNYJW-UHFFFAOYSA-N 302.418 4.138 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)OCC(F)(F)F 575414275 ZCBRFLFSXAUCIZ-JTQLQIEISA-N 313.385 4.072 0 40 DIAB O=C(CCc1cccc(Cl)c1)N1CC[C@H](c2ccsc2)C1 670853439 NUMTVGNNOMEMEO-AWEZNQCLSA-N 319.857 4.350 0 40 DIAB FC(F)(F)CNc1ccccc1OCC(Cl)(Cl)Cl 1083811777 OHOZPKPVILBTHE-UHFFFAOYSA-N 322.541 4.410 0 40 DIAB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1Cl 352759 WUEIAKFRNLDGMZ-QZTJIDSGSA-N 319.832 4.372 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 559728 ISPRTYKKEWPITM-UHFFFAOYSA-N 308.425 4.484 0 40 DIAB Nc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccccc1 1609264 JGFWVJGJAGIZLY-UHFFFAOYSA-N 320.783 4.323 0 40 DIAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cs1 2647507 CRJSJMPGXGTTNU-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB CCOc1cc(C(=O)Nc2ccc(F)cc2)ccc1OC(C)C 2752977 CNZJNFJMTHHDBI-UHFFFAOYSA-N 317.360 4.264 0 40 DIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 3236316 JWCDRLDJGINQLF-UHFFFAOYSA-N 309.837 4.194 0 40 DIAB CC(=O)c1cccc(NC(=O)CSCc2ccccc2C)c1 3380440 ZFOZINJEKGIQPR-UHFFFAOYSA-N 313.422 4.070 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c(C)c1 3398463 NYDBDUMLLOECBL-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)ccc1Cl 3572874 YPNKCPHIOSJVAY-GWCFXTLKSA-N 316.228 4.067 0 40 DIAB Cc1ccc(Oc2ccc(C(=O)NCc3ccncc3)cc2)cc1 4054502 KUELMQAVLKNHFA-UHFFFAOYSA-N 318.376 4.112 0 40 DIAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 4691037 LKDKLAONKAVSDO-UHFFFAOYSA-N 320.776 4.170 0 40 DIAB CCc1cc(OCC(=O)Nc2cccc(F)c2)ccc1Cl 5347336 XAXPSFXTVQGAPJ-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)c1sccc1-c1ccccc1 6589913 QQDJUCHBENKILQ-UHFFFAOYSA-N 323.373 4.396 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1 12792480 FPNMQWUBKKVLJY-GOSISDBHSA-N 308.356 4.188 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 13932679 JNQFMPWCQASYPV-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB O[C@@H](CSc1ccccn1)c1ccc(Cl)cc1Cl 16545980 FQUGUCGOGCVRGO-LBPRGKRZSA-N 300.210 4.214 0 40 DIAB CC(C)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 18078429 BMIXGWLLJVRNJX-UHFFFAOYSA-N 322.408 4.189 0 40 DIAB Cc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)s1 19217211 RKJZGRYLOZVOEU-HNNXBMFYSA-N 311.454 4.312 0 40 DIAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 21962283 CFETYKHQAZZTQJ-AWEZNQCLSA-N 317.820 4.135 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(F)c(F)c2)cc1C 22538118 BFYCHRBRTZVSPO-CYBMUJFWSA-N 303.352 4.381 0 40 DIAB COc1c(N)cc(-c2nc3cc(Cl)ccc3o2)cc1Cl 26509159 WTFJSDCJOLWWJH-UHFFFAOYSA-N 309.152 4.392 0 40 DIAB O=C(/C=C/c1cc2ccccc2o1)N(Cc1cccnc1)C1CC1 32336101 NLOYYLHLXUVNSC-MDZDMXLPSA-N 318.376 4.032 0 40 DIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)C1CCCCC1 40108468 VXJVQAJLFYEKKZ-LBPRGKRZSA-N 324.262 4.077 0 40 DIAB Cc1ccc(SCc2coc(-c3cccc(F)c3)n2)nc1 48325766 UHCSIYQVMNWOFV-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB CC1CCN(C(=O)c2ccc(-c3nc4ccccc4o3)cc2)CC1 59842899 XNKQFDQGWSZFES-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB Cc1noc2nc(/C=C/c3ccc(Cl)cc3)cc(C(=O)O)c12 64876003 KQBMXLKVDNGKRZ-QPJJXVBHSA-N 314.728 4.053 0 40 DIAB Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N(C)C 72218647 TUWXORDSYQVNFW-LJQANCHMSA-N 309.457 4.183 0 40 DIAB CCC(CC)c1cc[n+](Cc2ccc(-n3cccn3)cc2)cc1 74181687 FQYVQTRIDTWHSL-UHFFFAOYSA-N 306.433 4.112 0 40 DIAB O=C(/C=C/c1ccsc1)N1CCC(c2ccsc2)CC1 75157150 MLELWDOKIIXCRX-OWOJBTEDSA-N 303.452 4.229 0 40 DIAB Cc1nnc([C@@H](C)N[C@H](C)c2ccc(OCCC(C)C)cc2)o1 79030410 RVSDEOOOJFNYBF-ZIAGYGMSSA-N 317.433 4.215 0 40 DIAB Cc1cc(NC[C@@H](c2cccs2)N(C)C)c2ccccc2n1 89583132 FDFUWNDKEQDKRQ-KRWDZBQOSA-N 311.454 4.320 0 40 DIAB O=C([C@H]1CC=CCC1)N(Cc1ccoc1)Cc1cccs1 90612177 BZKLKXWOMOYHMM-HNNXBMFYSA-N 301.411 4.226 0 40 DIAB Nc1ccc(C2(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 158753684 RDQOGQXHZVOUSZ-UHFFFAOYSA-N 321.207 4.246 0 40 DIAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCC2 223250248 RPGJXLOPNVVQGC-LLVKDONJSA-N 317.791 4.459 0 40 DIAB CC(C)Oc1cccc(NC(=S)Nc2ccc(F)cc2)c1 225459526 SPRGOQVBQGNLIX-UHFFFAOYSA-N 304.390 4.422 0 40 DIAB C[C@@H]1CC(C)(C)c2cccc(NCc3cc4c(cn3)OCCO4)c21 1560598005 JLQLSXAFOQCPSI-CYBMUJFWSA-N 324.424 4.250 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2C)cc1 345550 FJQVWYOOHQLCMK-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB O=C(NCc1ccccc1)NC(=S)c1cccc2ccccc12 871615 GKRWNUWNQXHRAJ-UHFFFAOYSA-N 320.417 4.015 0 40 DIAB C[C@@]12Nc3c(Cl)cc(Cl)cc3N1C(=O)c1ccccc12 1645592 VRVNISVHUKVGOE-OAHLLOKOSA-N 305.164 4.252 0 40 DIAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccco1 2414103 SABREFHAUGYDOQ-SINXNMPMSA-N 308.381 4.147 0 40 DIAB Clc1ccccc1OCCSc1nc2ccccc2[nH]1 2502266 BENKXFRXSWPBMR-UHFFFAOYSA-N 304.802 4.387 0 40 DIAB O=c1ccc2ccc(OCc3c(F)cccc3Cl)cc2o1 3512330 LQXHRWPOLMBNTA-UHFFFAOYSA-N 304.704 4.165 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1C 4331554 MSJUXZJFHWFPGP-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CCCCSc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341632 ODMFWTWLTDDLJK-UHFFFAOYSA-N 318.833 4.361 0 40 DIAB CC(=O)N=P(N1CCCCC1)(N1CCCCC1)C(C)(C)C 4930720 TZJIHCBSQGEVDF-UHFFFAOYSA-N 313.426 4.334 0 40 DIAB C[C@@]1(c2ccc3c(c2)CCCC3)NN=C(c2ccccc2)S1 5529844 USVMZGOXXMJLNC-LJQANCHMSA-N 308.450 4.436 0 40 DIAB Cn1c(SCC(=O)c2cccc(Cl)c2)nc2ccccc21 6025460 LISOMCOLOYVWBC-UHFFFAOYSA-N 316.813 4.202 0 40 DIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCCC1 7794125 DBDULRSZBFWIOL-UHFFFAOYSA-N 314.351 4.290 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCc1ccccc1F 8267936 PGTLVQATYRXNHQ-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)N3N=NNC3=N2)cc1 9044324 VNSVPSHAUDAPDR-MRXNPFEDSA-N 323.787 4.288 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c1 9816775 OWNCVHKDHFROBE-QGZVFWFLSA-N 313.397 4.190 0 40 DIAB O=C(C1CC1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235623 ZCNDIEIBOHRMHE-UHFFFAOYSA-N 320.845 4.066 0 40 DIAB CN(Cc1ccccc1)C(=O)c1cc(C2CC2)nc2ccccc12 12756906 LNSIZZWRINZURW-UHFFFAOYSA-N 316.404 4.384 0 40 DIAB CCN(CC)Cc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 16779952 JJTPXMODHMKSCW-UHFFFAOYSA-N 324.468 4.075 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(Cl)cc2)s1 19927583 IDPMIYRZFADNIZ-TVQRCGJNSA-N 324.858 4.272 0 40 DIAB NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 20158800 QVADLMFRSYDPOD-UHFFFAOYSA-N 319.842 4.272 0 40 DIAB Cc1ccccc1-n1ccnc1SCc1cn2ccccc2n1 30869487 SBIVENYKMHYCCC-UHFFFAOYSA-N 320.421 4.121 0 40 DIAB CC[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1OC 31618115 ZTICWNLDLVGRBJ-NSHDSACASA-N 309.818 4.291 0 40 DIAB Cc1ccc(NC(=O)CCCOc2ccc(F)cc2)c(C)c1 32906299 PKJLVSUHTWENMC-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)NCc1ccc(Cl)cc1 32924029 IBZKGBZPVBKKMS-UHFFFAOYSA-N 308.834 4.158 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)cc1F 36393396 XAQLAPPWWPEIJD-UHFFFAOYSA-N 306.768 4.106 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 36561539 OQCANNRCJGVVBS-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB Cc1ccc(-c2nc(CN(C)Cc3cnc(C)s3)cs2)o1 47259465 UHIOHESDHCMQRZ-UHFFFAOYSA-N 319.455 4.108 0 40 DIAB COc1ccc(Br)cc1NC(=O)c1ccccc1C 48444615 VZRMRXUJGYYQDD-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Nc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(C2CC2)n1 49467634 GHEPZHGUNWOVJO-UHFFFAOYSA-N 318.380 4.472 0 40 DIAB CCCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 59294625 KTKCJKBWLLSJFG-UHFFFAOYSA-N 314.385 4.359 0 40 DIAB COc1cc2nccc(Nc3cccc(C(C)=O)c3)c2cc1OC 65005319 SUZXQHKQOYWLRB-UHFFFAOYSA-N 322.364 4.198 0 40 DIAB CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OC 69830895 BRUSPURZIKRUEJ-UHFFFAOYSA-N 321.804 4.368 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CCc1ccccc1 70038625 GSIIXTVMAXDVCM-UHFFFAOYSA-N 319.452 4.164 0 40 DIAB CCOc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 72331659 SXTBFMNAVYWKRW-UHFFFAOYSA-N 323.314 4.034 0 40 DIAB CCC[C@@H](NC(=O)c1csc(C)n1)c1ccc(F)cc1F 79102258 BCRNAOBWSVCERD-CYBMUJFWSA-N 310.369 4.001 0 40 DIAB Cc1csc(SCC(=O)c2ccc(OC(F)F)cc2)n1 84271323 NULALSRGAYMBOY-UHFFFAOYSA-N 315.366 4.028 0 40 DIAB S=C(NCc1cccs1)NCc1csc2ccccc12 84593149 UYGAWEDSKPAUSZ-UHFFFAOYSA-N 318.492 4.127 0 40 DIAB CCC1CCC(N(C(=O)[C@H]2CC2(Cl)Cl)C2CC2)CC1 97167313 TZSLYHNIIWSPJQ-GCZXYKMCSA-N 304.261 4.140 0 40 DIAB CC[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103537546 RUBTUTGMVNYVMB-PWVCALLWSA-N 311.469 4.439 0 40 DIAB CC(=O)c1c(O)cc2c(c1O)[C@@H]1C[C@](C)(CCC1=C(C)C)O2 104191826 WJUHGQHJASTSSZ-XIKOKIGWSA-N 302.370 4.055 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C)cc1C 113968938 SBRKSWOONKNKDK-APWZRJJASA-N 311.425 4.338 0 40 DIAB CCc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222611980 ZVBNMNKWHDKGDU-UHFFFAOYSA-N 321.355 4.097 0 40 DIAB Cc1ccc(S[C@@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225059976 RTUYWBQFVPZDLS-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB CC(=O)O[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 162186 RBLRENIPDVSMGP-SECBINFHSA-N 301.984 4.314 0 40 DIAB Cc1cc(C(=O)O)c(NC(=O)c2cccc3ccccc23)s1 549394 LIHSSWIVSDPPNP-UHFFFAOYSA-N 311.362 4.160 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(Cl)s2)C1=O 1162164 NLIVGMUSTNNFES-AXDULGOBSA-N 301.820 4.236 0 40 DIAB O=C(c1ccccc1C(F)(F)F)N1CCCc2ccccc21 1398360 OKQYEFMFMBMFKG-UHFFFAOYSA-N 305.299 4.298 0 40 DIAB C=CC(=O)NCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2272101 SZATUVLGCVGAGI-UHFFFAOYSA-N 317.473 4.222 0 40 DIAB CCOC(=O)CCCCCCC(=O)c1ccc(OCC)cc1 2580390 OXYMWRDETLOQGI-UHFFFAOYSA-N 306.402 4.172 0 40 DIAB c1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 3200292 KAXKKOPKEONSGB-UHFFFAOYSA-N 310.378 4.325 0 40 DIAB aggregator O=C(CSCc1ccco1)c1ccccc1Br 3264975 KAERONLZZSRWTD-UHFFFAOYSA-N 311.200 4.158 0 40 DIAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)O)cc1 3394155 LWKSLPCBICDRDO-UHFFFAOYSA-N 312.756 4.199 0 40 DIAB CCSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 4365788 YIQFFSIUHJTKHN-UHFFFAOYSA-N 309.438 4.279 0 40 DIAB S=C(NC1CCCCC1)N[C@@H]1CCSc2ccccc21 5239533 WCDYIWHSOMOGJM-CQSZACIVSA-N 306.500 4.020 0 40 DIAB Cc1ccc2nc(CSc3ccc4ccccc4n3)cn2c1 5626789 NDCPPOOMQVRAHH-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB CCOc1ccc([C@H](CC)c2cc3c(cc2OC)OCO3)cc1 6002083 GUVFCYYUMXCCSH-HNNXBMFYSA-N 314.381 4.365 0 40 DIAB CCc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 7584018 FDYOQLJNMXHGCG-GFCCVEGCSA-N 302.418 4.436 0 40 DIAB CCOc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1 7639614 ASWLUAYADUGDTR-UHFFFAOYSA-N 300.402 4.337 0 40 DIAB CCOc1cc(CNC)ccc1OCc1ccccc1Cl 8254672 NRWVXPQHRXCXCK-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB Cc1nc2ccc(NC(=O)c3cc(F)ccc3F)cc2s1 10784289 PLZLUSAQHDZUSY-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB Cc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10893722 MROOZAYPQHSPTC-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CCc1cccc(C)c1NCc1cc2cccc(C)c2[nH]c1=O 12492340 RFOHWBWBXWXPIY-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB COc1ccc(C(C)=O)cc1CSc1ncccc1Cl 12900429 CTCSGTSMYRBTPZ-UHFFFAOYSA-N 307.802 4.239 0 40 DIAB Cc1ccc(COc2ccc(Cl)cc2Cn2ccnc2)cc1 13283492 JLFHRMZLDJPKJL-UHFFFAOYSA-N 312.800 4.472 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2ccc(C)c(C)c2)cc1 13682233 OLEDBJXQZXSRGW-UHFFFAOYSA-N 313.466 4.063 0 40 DIAB C[C@@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@](C)(C3)C2 16605650 LRFUYLAMPZGXQB-KOCGSPDRSA-N 304.478 4.367 0 40 DIAB C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(-n2cccc2)cc1 28221083 SSIGDKVZGGMSQY-CQSZACIVSA-N 308.356 4.107 0 40 DIAB Cc1ccccc1CC(=O)N[C@H](C)c1cccc(OC(F)F)c1 32930430 WPDQEPPNSHKGNZ-CYBMUJFWSA-N 319.351 4.016 0 40 DIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2)c1 36357294 NFZWKQOXQYNFNT-INIZCTEOSA-N 319.364 4.005 0 40 DIAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1 40074324 DTTITSWZQKFETK-VXGBXAGGSA-N 313.319 4.119 0 40 DIAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 40103784 RBHVJXVYHQOLMN-UHFFFAOYSA-N 323.440 4.341 0 40 DIAB CC[C@@H](C(=O)NCCSCc1ccsc1)c1ccccc1 48356351 VPGUOSIQDJNFCW-MRXNPFEDSA-N 319.495 4.291 0 40 DIAB CCc1noc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 69417365 BNVCFCIMIAMVRZ-IUCAKERBSA-N 314.216 4.351 0 40 DIAB CCn1c([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)nc2ccccc21 69463133 KRLAGXUZXXWQNH-CRAIPNDOSA-N 323.440 4.076 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2ccc(C)cc2F)c1 71326066 ASWPEXICQWYKGX-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)cnc1Cl 72217816 WXLGIYFVYSUFIP-INIZCTEOSA-N 314.816 4.411 0 40 DIAB Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1F 72331745 GMABCQQPFFVSFV-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB FC(F)(F)c1ccccc1OCc1nnc(-c2ccccc2)o1 73125544 OLJOYNHCTFWLTO-UHFFFAOYSA-N 320.270 4.334 0 40 DIAB COc1ccc2ccc(OC(=O)[C@@H]3C[C@H]3c3ccco3)cc2c1 83970393 RUXBXEIRMDWBOM-IAGOWNOFSA-N 308.333 4.151 0 40 DIAB Cc1ccc(-c2nc(CSCc3nnc(C)o3)cs2)cc1 95412877 FLHQADZERXAKTN-UHFFFAOYSA-N 317.439 4.243 0 40 DIAB CC(C)(C)SCCCC(=O)N1CCC[C@H]1c1ccncc1 95435862 CHCVZFJDCJXMGF-HNNXBMFYSA-N 306.475 4.057 0 40 DIAB Fc1ccc(F)c(COc2ccc(Br)cc2F)c1 95915341 ZYSGBCURWUJXRJ-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB C[C@H]1CC(=O)CC[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C 95978535 UJJDCQDBMRVRGZ-YJBOKZPZSA-N 315.457 4.067 0 40 DIAB CC[C@](CNC(=O)c1ccc(Cl)s1)(OC)c1ccccc1 96123697 TYGCNZXBNFMRKL-MRXNPFEDSA-N 323.845 4.083 0 40 DIAB CCOC(=O)Cc1csc(Nc2ccc(C(C)C)cc2)n1 106141674 UCVSKFAEQQFMLD-UHFFFAOYSA-N 304.415 4.116 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 108853329 LAATVQURGJINLT-RFGFWPKPSA-N 323.889 4.373 0 40 DIAB C[C@@H](OC(=O)c1ccc(N)cc1)c1ccc2c3c(cccc13)CC2 216850936 BGBDKCOGNHNJDD-CYBMUJFWSA-N 317.388 4.439 0 40 DIAB Cc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1C 218804474 JDHKFWWVXXAYGP-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225689802 NOCCTEJGTLIFLU-SFHVURJKSA-N 307.434 4.174 0 40 DIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)C)cc3)cc2c1 226036423 DEKVIMPLFUDMMS-UHFFFAOYSA-N 321.376 4.477 0 40 DIAB O=C1S/C(=C/C=C/c2ccco2)C(=O)N1CC1CCCCC1 409148464 ZIZHYVOOPSWLHK-JBZDNPHWSA-N 317.410 4.452 0 40 DIAB CC(C)c1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 129607 FZTDUHJBQPKIQL-UHFFFAOYSA-N 304.773 4.448 0 40 DIAB O=C(Nc1ccc(Br)cc1F)C1CCCCC1 383561 JZRQNVRVEIQRPU-UHFFFAOYSA-N 300.171 4.107 0 40 DIAB CC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21 541556 WFZYXDLGOZSFAX-UHFFFAOYSA-N 308.410 4.364 0 40 DIAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1Cl 798258 PHNLNJUEGCIMBX-UHFFFAOYSA-N 323.801 4.139 0 40 DIAB Cc1cc(C)cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1 1018210 DHGMLPXBAUPCKL-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB CC(C)N(C(=O)COc1ccc(Cl)cc1)c1ccccc1 1640203 QHHVMXPNGLJMLR-UHFFFAOYSA-N 303.789 4.160 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1Cl)c1ccccc1 3258640 CBECEEDDLVMXDI-GFCCVEGCSA-N 305.830 4.310 0 40 DIAB Cc1cc(C)c2nc(NC(=O)Cc3ccsc3)sc2c1 3287981 IZONRKLZKLTEPD-UHFFFAOYSA-N 302.424 4.156 0 40 DIAB CCCCCC(=O)Nc1ccc(-c2csc(NC)n2)cc1 3358214 ATGBGJULMPZSEL-UHFFFAOYSA-N 303.431 4.371 0 40 DIAB CCN(CC)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 3460001 DDJXJMINBHIBBL-HXUWFJFHSA-N 322.452 4.340 0 40 DIAB O=C1CC2(c3ccccc3)[C@@]3(c4ccccc4)C1[C@@]23c1ccccc1 4533151 UZIMRYCZCODEOD-ULBZPVTCSA-N 322.407 4.417 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 4696276 UHPFOSYDGULRIP-HNNXBMFYSA-N 318.461 4.370 0 40 DIAB Cc1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 4846448 NYAGYGCCRUSEEI-AWEZNQCLSA-N 321.376 4.213 0 40 DIAB O=S(=O)(/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 5054985 DORJFJJMBYRUAP-CMDGGOBGSA-N 313.205 4.438 0 40 DIAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1 5509004 FNZXNCPUNGHMCJ-UHFFFAOYSA-N 316.404 4.034 0 40 DIAB in-vivo Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 5577911 ZZVIXOZNOKONTG-LLVKDONJSA-N 307.752 4.194 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1 5862323 PVCGVWGFQCKZAK-RYUDHWBXSA-N 321.779 4.124 0 40 DIAB COc1ccccc1OCCC(=O)Nc1cccc(Cl)c1C 6083463 CZKJJVHYNMIESR-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 6881674 MGOQPXDGDJNUQM-XXWNAHEMSA-N 313.441 4.089 0 40 DIAB O=C(NCc1ccccc1)c1ccccc1Nc1ccccc1 6923310 WDZSRSUTOKWFJG-UHFFFAOYSA-N 302.377 4.360 0 40 DIAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC(C)(C)C 7630900 KASLUBDDAUMHSQ-QMMMGPOBSA-N 306.258 4.389 0 40 DIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@](C)(O)C[C@@]3(C)CC[C@@H]21 8616513 BKFNLZHVRLYWBD-WKWVNEEDSA-N 300.442 4.302 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 8944224 FIGQWLLJTIYIAZ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccc(OC(=O)/C=C/c2cccs2)c(Br)c1 13141635 ZZTJVIFERNOZNE-FNORWQNLSA-N 323.211 4.438 0 40 DIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc2ccccc2c1 13938905 AYICQPOVACYFKN-OAHLLOKOSA-N 319.470 4.335 0 40 DIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cccs1 14062500 KLDKNKOYEODILL-UHFFFAOYSA-N 319.430 4.458 0 40 DIAB CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CCCc2ccccc21 16342918 SDAWHOPSMHPCTF-NRFANRHFSA-N 317.436 4.382 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1 30758477 XZINABVQHVEMJD-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB C[C@H]1CCc2nc(NC(=O)Nc3cccc(F)c3)sc2C1 32611088 LZJJAXSKZGRTAO-VIFPVBQESA-N 305.378 4.051 0 40 DIAB C=Cc1c(N)c(-c2nc(-c3ccc(C)cc3)no2)c2ccccn12 32611776 AXYXHZGCXIHTND-UHFFFAOYSA-N 316.364 4.190 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@H]2CCc3ccccc32)cc1C 32850824 YQOWBRFSWCVYOE-IBGZPJMESA-N 321.420 4.070 0 40 DIAB Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)cnn1C(C)(C)C 32932162 VWDDJOIAYKBKRA-NSHDSACASA-N 319.836 4.091 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)C1CCCCC1 38753583 PUGNPEBRSZOLHU-HNNXBMFYSA-N 309.837 4.289 0 40 DIAB Cc1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 48362493 SNWMRAOZQDQUFQ-UHFFFAOYSA-N 319.408 4.393 0 40 DIAB CC[C@H]1c2ccsc2CCN1Cc1ccn(-c2ccccc2)n1 58167911 VEMZWYIMAZNBRS-SFHVURJKSA-N 323.465 4.443 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 59351161 UDEXIGYCKCPVSA-RCLKMUNOSA-N 309.409 4.203 0 40 DIAB CC(C)(C)c1ncc(C(=O)NC(C)(C)c2ccccc2)s1 65402385 IUXFDEQLWQZDAB-UHFFFAOYSA-N 302.443 4.106 0 40 DIAB Cc1cc(C2CCCCC2)n2nc(C)c(Br)c2n1 66339884 VWKBWKCAVZAANT-UHFFFAOYSA-N 308.223 4.156 0 40 DIAB Cc1ccsc1-c1cccc(NC(=O)C2CCOCC2)c1 66553380 LKXKNNKTYQXDHJ-UHFFFAOYSA-N 301.411 4.089 0 40 DIAB CC(C)(C)c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 70017326 DWPSQBZAYSJTIL-UHFFFAOYSA-N 320.820 4.117 0 40 DIAB Cc1nc(SC(C)(C)C)ccc1CNC(=O)OC(C)(C)C 72224901 WEZVXEGKJSBTIW-UHFFFAOYSA-N 310.463 4.305 0 40 DIAB Fc1ccc(F)c(COc2cc(F)ccc2Br)c1 89064191 ASUPRTCAYARAIR-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB O=C(c1ccccc1OC(F)(F)F)c1c(F)cccc1F 93409710 VRYVPOFDYRFJEZ-UHFFFAOYSA-N 302.198 4.094 0 40 DIAB CCc1ccc([C@H](C)NCc2ccc(C3OCCO3)cc2)s1 97016955 GRHHXXYSRVNZNP-ZDUSSCGKSA-N 317.454 4.207 0 40 DIAB CCc1ccc(C2=C[C@@H](c3ccccc3C)n3ncnc3N2)cc1 102047567 JEUDAJWCEFQSSV-IBGZPJMESA-N 316.408 4.205 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCC1=CCCCC1 222952318 KFWGEOSAOAFISO-SFHVURJKSA-N 315.457 4.468 0 40 DIAB CC(C)Oc1cccc(NC(=S)NC2CCCCCC2)c1 225353997 WLGPILJNDJCMNT-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OC(C)C 225590869 UQXSWKXIJYSFFF-UHFFFAOYSA-N 310.608 4.091 0 40 DIAB Cc1cccc(CSCCNC(=O)c2ccc(C)c(C)c2)c1 225779477 XRCRGFXDPDJHKN-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N1CCC(=C2CC2)CC1 238833889 GLZJHMZRKMPSEI-UHFFFAOYSA-N 306.793 4.067 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 253617498 QGKQXZFZOIQFBI-IHRHECOVSA-N 306.490 4.141 0 40 DIAB O=C(c1c(Cl)cccc1Cl)C(F)(F)Br 306526709 VIBMQWSYOJCOMT-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB CC[C@@H](C(=O)NCc1cncc(-c2ccoc2)c1)c1ccccc1 575620392 MTDNMMSUYNAPJW-LJQANCHMSA-N 320.392 4.152 0 40 DIAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 585100296 JVUXNZYQENGYRY-FXAWDEMLSA-N 320.521 4.212 0 40 DIAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1F 266473 YKOMMCJBRGWHDK-UHFFFAOYSA-N 314.337 4.462 0 40 DIAB COc1ccccc1NC(=O)c1csc2c1CC[C@@H](C)C2 539279 QYNZXQXMPQZCLK-LLVKDONJSA-N 301.411 4.134 0 40 DIAB CCCCCCn1nnc2sc(-c3ccccc3)cc2c1=O 1785047 UPWDQXHUDGACSO-UHFFFAOYSA-N 313.426 4.100 0 40 DIAB CC(C)CCNC(=O)COc1ccc(Cl)c2ccccc12 2633523 ULJWFNYROBSYML-UHFFFAOYSA-N 305.805 4.034 0 40 DIAB CCSc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 2643718 VKGVBUPMCCGOTA-UHFFFAOYSA-N 308.406 4.464 0 40 DIAB CCOc1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 4458653 XSUJNRMBZXPXTR-IBGZPJMESA-N 305.381 4.230 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(Br)cc2)c(C)c1 5268103 TYICBIKZQZGPQQ-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(C(C)C)c12 8337874 HSJUNKHKFQXGIO-UHFFFAOYSA-N 310.353 4.108 0 40 DIAB O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12 8580019 BARQVQMEBGXPLU-UHFFFAOYSA-N 318.401 4.242 0 40 DIAB COc1cccc(CSCC(=O)Nc2ccc(Cl)cc2)c1 9548943 TXOHBCFXXGHUAN-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB Cc1ccc(CCC(=O)NCCSc2ccc(C)cc2)cc1 10329226 CGVRDRRDNVVAQC-UHFFFAOYSA-N 313.466 4.145 0 40 DIAB Cc1[nH]c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2c1C 11749551 JQCRWORRJLYYEU-UHFFFAOYSA-N 318.420 4.246 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)CCc1c[nH]c2ccccc12 12934140 PEMAYZUIWCCZOS-AWEZNQCLSA-N 304.393 4.078 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccc(F)cc2)CC(=O)N3)C1 15085183 QQTBAIIREMQQAS-YGRLFVJLSA-N 315.413 4.486 0 40 DIAB c1ccc(COc2cccc3ccc(N4CCCC4)nc23)cc1 17189493 BPFYSENTWUANMJ-UHFFFAOYSA-N 304.393 4.414 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20025547 ACDPURJJQHSWAS-ZDUSSCGKSA-N 315.438 4.217 0 40 DIAB Fc1ccc(-n2nc(-c3ccc(Cl)cc3)nc2Cl)cc1 22125407 XJYNRMVWVVTZJY-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)c1c[nH]c2ccccc2c1=O 22233989 NBOBSVDJUABLMO-UHFFFAOYSA-N 320.392 4.212 0 40 DIAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n(C2CCCC2)n1 28241888 CYJQMGVGQUGQFD-SJORKVTESA-N 309.413 4.049 0 40 DIAB O=C(CCCc1nc2ccccc2o1)Nc1ccc(F)cc1F 31813450 CNHNXINHTKQKGZ-UHFFFAOYSA-N 316.307 4.067 0 40 DIAB CSc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 32774173 JTBHHQOJWCPPKX-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CCn1cc(Nc2ncnc3scc(-c4ccccc4)c23)cn1 36395266 UUMVSFJWNHEBIM-UHFFFAOYSA-N 321.409 4.318 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 36397026 JXKJTLPBHKVRTM-STQMWFEESA-N 318.367 4.395 0 40 DIAB CC(C)(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2o1 40081619 NDZASMPZQASXST-UHFFFAOYSA-N 314.410 4.368 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 43802442 ZBVVETVSFFAQNW-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB COc1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 64874553 UFUQACJPMWEUHJ-UHFFFAOYSA-N 319.286 4.166 0 40 DIAB C=Cc1ccc(COc2cc(C(=O)OC)nc3ccccc23)cc1 65033072 GIJDXHJMYILOJF-UHFFFAOYSA-N 319.360 4.243 0 40 DIAB CC(C)c1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1 71979116 JEVRSSLRXXABDD-GOSISDBHSA-N 308.381 4.202 0 40 DIAB CCc1ccc([C@@H](C)N[C@H](C)CC(=O)Nc2ccccc2)cc1 78739045 ILQKCPWRQAHCKN-HZPDHXFCSA-N 310.441 4.317 0 40 DIAB O=C1Cc2ccccc2N1c1c(Cl)cccc1Br 95917965 CMBSFZZHGLVIPB-UHFFFAOYSA-N 322.589 4.323 0 40 DIAB in-vitro Cn1ccc([C@H](NCCC2=CCCCC2)c2ccc(F)cc2)n1 95986427 SKMUVXSMIUBKQN-LJQANCHMSA-N 313.420 4.129 0 40 DIAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1ccsc1)CC3 96759295 BTYJKLMOJYCFHE-XFFZJAGNSA-N 314.435 4.026 0 40 DIAB O=C(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(C(F)(F)F)c1 100934922 SZVLUONEASWAGO-UTUOFQBUSA-N 312.335 4.263 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 118925979 VIQFMADXQMGZER-ZVPCKFNKSA-N 319.533 4.353 0 40 DIAB CC[C@H](NC(=S)Nc1ccccc1)c1ccc(OC)c(C)c1 223221992 FIYXPSGAKXTGFY-INIZCTEOSA-N 314.454 4.441 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 224923653 XTBRQGDFJAFNDV-INIZCTEOSA-N 324.424 4.001 0 40 DIAB CCCOc1cccc(C(=O)Nc2cc(Cl)c(C)cc2N)c1 226349466 HOFCPPHBLCDAFM-UHFFFAOYSA-N 318.804 4.272 0 40 DIAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccccc2Cl)O[C@@H]2CCC[C@@H]12 257251322 JQHDEFATUDNVMO-RKTXRCNFSA-N 321.848 4.111 0 40 DIAB O=C(NCCCC(F)(F)F)c1cc(Cl)ccc1Cl 266577199 USLPLIKOCGDJRD-UHFFFAOYSA-N 300.107 4.066 0 40 DIAB O=C(Nc1ccc2ccccc2c1)Nc1ccc2nsnc2c1 408993170 CLQDRUZYMPPPSL-UHFFFAOYSA-N 320.377 4.489 0 40 DIAB O=C(NCc1cc(-c2ccsc2)cs1)[C@H]1CC=CCC1 1775969641 DKRFIHHKMCXAKI-LBPRGKRZSA-N 303.452 4.449 0 40 DIAB O=C(Nc1ccc(Cl)cc1)C1=Cc2cc(Cl)ccc2OC1 74592 JDOKWEBHARDMTN-UHFFFAOYSA-N 320.175 4.408 0 40 DIAB O=C(CSc1ccc(Cl)cc1)N1CCc2ccccc21 171499 BEFGPIDCHOCQQU-UHFFFAOYSA-N 303.814 4.021 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1ccccc1C(F)(F)F 385425 BMIUSQORDDASGW-UHFFFAOYSA-N 320.270 4.028 0 40 DIAB CSc1ccc(C(=O)c2cccc(CN3CCCC3)c2)cc1 2515059 UCDSMDHBUCWIFV-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc2ccccc2n1 2648696 WFIYNPXRCAJGTQ-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB Cc1c(O)ccc2c(CSc3ccc(F)cc3)cc(=O)oc12 5204075 NJLFFJYWICDKDF-UHFFFAOYSA-N 316.353 4.238 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1 5444968 QFWYQUSAASCTEE-DHZHZOJOSA-N 321.298 4.366 0 40 DIAB C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 6647453 GLBODGGTKLKNLQ-NSHDSACASA-N 303.402 4.257 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1 6779056 JUTYZDWAZNGXDI-UHFFFAOYSA-N 306.365 4.276 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1OC 7970523 IAZSJWGZSGQILK-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)c1ccc2ccccc2n1 8038718 BQEORVFZSBJDFM-UHFFFAOYSA-N 308.356 4.036 0 40 DIAB Cc1ccsc1C(=O)Nc1nnc(C2CCCCC2)s1 9606368 CPQWMZVTXMQASN-UHFFFAOYSA-N 307.444 4.208 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)c1 9816877 JEKRTSCMXIJJRU-GOSISDBHSA-N 313.397 4.190 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)cc1Cl)C2 11376548 VDRQZKUENBGMAY-OAHLLOKOSA-N 321.804 4.443 0 40 DIAB Cc1nsc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)n1 11917246 URIGRMBLXXLMHO-UHFFFAOYSA-N 321.789 4.115 0 40 DIAB CCOc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1 12746676 DMTRDRASOGVWHV-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H]1CCSc2ccc(F)cc21 12926719 LOJKCXBDRKTHHN-CYBMUJFWSA-N 320.364 4.323 0 40 DIAB Cc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 13672727 PPBIHKHLWFNPOB-FMIVXFBMSA-N 313.828 4.411 0 40 DIAB CCOc1ccccc1NC(=S)NCCC1=CCCCC1 13818001 PNQXFRRUZJCGFR-UHFFFAOYSA-N 304.459 4.262 0 40 DIAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)c2c(C)noc2n1 14222156 PXIPBOROXLEPNX-UHFFFAOYSA-N 309.369 4.215 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1cc(C)ccc1C 14573693 LTMHEKVCQFIHSJ-PCUGXKRQSA-N 309.409 4.203 0 40 DIAB Cn1c(NC(=O)c2c(Cl)cccc2Cl)nc2ccccc21 28227386 FGXFSLPKGGWDEC-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCCc1ccccc1F 40098957 BGELOOOCVAGPIA-UHFFFAOYSA-N 314.404 4.315 0 40 DIAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccccc2Cl)C1 40287027 URSUTORTSWSOIW-CYBMUJFWSA-N 324.771 4.044 0 40 DIAB O=C(c1c(F)cccc1Cl)N(Cc1ccsc1)C1CC1 44446557 JPCCOXCSIUSQFV-UHFFFAOYSA-N 309.793 4.345 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 44843011 GPAOFWZGRYETNT-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)ccn1 47216912 FYIKQKXWMOIVTM-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB CCN(Cc1nc2ccccc2o1)Cc1c(F)cccc1F 59409793 MQORJMIESMKPRA-UHFFFAOYSA-N 302.324 4.128 0 40 DIAB CCn1c([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 69463123 KRLAGXUZXXWQNH-YJBOKZPZSA-N 323.440 4.076 0 40 DIAB Cc1cccnc1CNC(=O)Nc1ccc(SC(F)F)cc1 69769799 KRIPGWMJQOHKIV-UHFFFAOYSA-N 323.368 4.026 0 40 DIAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320854 UGZMKUFYWNXYAY-ULQDDVLXSA-N 311.473 4.227 0 40 DIAB biogenic,in-vitro CCOc1ccccc1C[S@@](=O)[C@H](C)c1ccc(F)cc1 78555959 NSBBLXIOZIRASZ-ASSNKEHSSA-N 306.402 4.234 0 40 DIAB Clc1ccc(-c2n[nH]cc2CNc2ccc3[nH]ncc3c2)cc1 84419358 KVHQFSBZRQUMGX-UHFFFAOYSA-N 323.787 4.219 0 40 DIAB Cc1ncccc1CNc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 95455329 MBTXWDXJFMIDEK-RDTXWAMCSA-N 318.424 4.311 0 40 DIAB CC1(OC(=O)c2csc(Cc3ccccc3F)n2)CCCC1 95965261 UVTJRTYVXNBBCJ-UHFFFAOYSA-N 319.401 4.363 0 40 DIAB O=C(NC1CCCC1)c1ccc(Oc2ccccc2Cl)o1 96183850 PXUMGUHBTPZQLJ-UHFFFAOYSA-N 305.761 4.398 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1 96586376 YZZNUFFMFBGDMX-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB CCN(CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCCC1 97491332 WJEGVPPQPCKPDJ-AWEZNQCLSA-N 322.880 4.124 0 40 DIAB O=C1/C(=C\Nc2ccc(F)cc2)CCN1c1ccc(Cl)cc1 100417113 WOGUHSICVOPWHB-QXMHVHEDSA-N 316.763 4.212 0 40 DIAB NC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 222546673 YCCQIUYSFILRTF-CQSZACIVSA-N 306.196 4.217 0 40 DIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccsc1 390826333 IIUKKFMNOCBZFS-ZDUSSCGKSA-N 305.449 4.391 0 40 DIAB O=C(Sc1nnc(-c2ccco2)o1)c1cccc2ccccc12 408529804 KBRBDBMBINBMGI-UHFFFAOYSA-N 322.345 4.415 0 40 DIAB COCc1cccc(CN2CCC[C@H]2c2cccc(OC)c2)c1 506630315 CMKOOFKJBXJLFH-FQEVSTJZSA-N 311.425 4.179 0 40 DIAB Cc1cc(C(=O)N[C@H](C)Cc2csc3ccccc23)c(C)o1 575618665 AUTVDGTUIVMLRO-LLVKDONJSA-N 313.422 4.472 0 40 DIAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 364516 MIHCOYZWDYVDKY-UHFFFAOYSA-N 316.788 4.331 0 40 DIAB CCCn1c(-c2ccc(C)cc2)nc2nc3ccccc3nc21 543871 IUMKWWSZBUGFMM-UHFFFAOYSA-N 302.381 4.365 0 40 DIAB O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccs1 1263438 CXMHGIYHKMJHHG-UHFFFAOYSA-N 309.350 4.137 0 40 DIAB O=C(Nc1cccc(Cl)c1)C1=Cc2cc(Cl)ccc2OC1 1391435 MUNOFEYYGZWYIW-UHFFFAOYSA-N 320.175 4.408 0 40 DIAB CS[C@H](C(=O)O)c1cc(-c2c(Cl)cccc2Cl)no1 1611287 UGASFHWHGCTSCA-NSHDSACASA-N 318.181 4.137 0 40 DIAB CC(C)CCS(=O)(=O)C(c1ccccc1)c1ccccc1 1665712 YWTZMVZEFOGGOK-UHFFFAOYSA-N 302.439 4.237 0 40 DIAB Cc1ccccc1OCCCC(=O)Nc1cccc(Cl)c1 1772495 DMUGRRGRSAKUTF-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB O=C(CCc1ccc(Br)cc1)c1ccccc1F 2516775 OCBQKGYIUZIBOX-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB O=C(NCCSCc1ccccc1Cl)Nc1ccccc1 4390624 BWQRKGFHSZSDEU-UHFFFAOYSA-N 320.845 4.395 0 40 DIAB CCc1cccc(CC)c1NC(=O)COc1c(C)cccc1C 5658521 COHSQJWLQXHJSH-UHFFFAOYSA-N 311.425 4.446 0 40 DIAB Cc1c2[s+]c(-c3ccccc3)c(=O)n-2c2ccccc2n1C 6235770 DOMPNHURFCIGKV-UHFFFAOYSA-N 307.398 4.085 0 40 DIAB C[C@H]1CNC(c2cccc(-c3ccc(-c4ccccc4)o3)c2)=N1 6495189 WAEHMWVHYABFND-AWEZNQCLSA-N 302.377 4.352 0 40 DIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1 6510884 PMHCELLCPAPXOI-UHFFFAOYSA-N 315.678 4.333 0 40 DIAB Cc1c(Cl)cccc1NC(=S)NCCc1cccs1 7622096 YXEQWPHQVJENRO-UHFFFAOYSA-N 310.875 4.239 0 40 DIAB Cc1ccc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1 8324168 LWQWYBGEFZTNKQ-UHFFFAOYSA-N 307.393 4.251 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 8479306 CMRRFDPZARHSEU-CQSZACIVSA-N 317.816 4.041 0 40 DIAB CC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 9364907 ZHOSTGZOGBSKJI-UHFFFAOYSA-N 310.397 4.329 0 40 DIAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 10216923 NHTWPHUTAKFJDR-UKRRQHHQSA-N 312.438 4.316 0 40 DIAB Cc1cc(CNC(=O)c2ccccc2C(F)(F)F)ccc1F 11008692 VTMYMICRTWWMJA-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710248 BAAZUUBXOWOWPD-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CCOc1ccccc1NC(=S)NCc1ccc(Cl)cc1 13792253 YCNLFJIJOKQIHN-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CC(C)(C)c1cc(=O)[nH]c(SCc2ccccc2Cl)n1 18182719 AJQGHEHISXTPNJ-UHFFFAOYSA-N 308.834 4.013 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N1c2ccccc2C[C@@H]1C 20493312 LMMGLDRTIOKEFE-MAUKXSAKSA-N 309.409 4.130 0 40 DIAB CCCc1c(-c2ccccc2)nc(Nc2ccccc2)[nH]c1=O 20634947 QRPYICSHWUAQEH-UHFFFAOYSA-N 305.381 4.133 0 40 DIAB O=C1CCCN1c1cccc(Oc2nc3ccccc3s2)c1 21674170 UZGVQUZDNNMZMA-UHFFFAOYSA-N 310.378 4.215 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 22533036 SHHMODBIZSCLTK-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB COc1ccc(N(Cc2ccco2)C(=O)c2cccc(C)c2)cc1 27795670 ORQVOVJKGZINCS-UHFFFAOYSA-N 321.376 4.444 0 40 DIAB CCCn1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc2ccccc21 27923717 HNHBZKJQZMUGFJ-JKSUJKDBSA-N 319.408 4.189 0 40 DIAB CCn1cc(C(=O)NCc2ccc(C)c(F)c2)c2ccccc21 32843613 ZSMHJDILEHXDDZ-UHFFFAOYSA-N 310.372 4.039 0 40 DIAB COC(=O)c1ccc(/C=C(/c2ccccc2)c2ccncc2)cc1 35105218 GAPLYVNADZYADS-HKWRFOASSA-N 315.372 4.457 0 40 DIAB O[C@H](CN(Cc1cccs1)C1CC1)c1ccccc1Cl 46054387 GIEUBQDYIINCTP-MRXNPFEDSA-N 307.846 4.100 0 40 DIAB C[C@H](c1ccco1)N(C(=O)Cc1cccc2cccnc12)C1CC1 56183381 CNTPELBWTNWNSF-CQSZACIVSA-N 320.392 4.123 0 40 DIAB Cc1nnc(SCCCc2ccccc2)n1-c1ccccc1 59262341 CHNSQMCXAXBNIM-UHFFFAOYSA-N 309.438 4.301 0 40 DIAB O=C(c1ccc2oc(-c3ccccc3)nc2c1)N1CCCCC1 59843192 YZBDDKBZEFHUCU-UHFFFAOYSA-N 306.365 4.121 0 40 DIAB CCCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214336 NOGLBSNNOHBEEP-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB CCn1c(Cc2ccccc2)nnc1SCCc1ccccc1 75333087 ZOUYQYBNRDMNGD-UHFFFAOYSA-N 323.465 4.224 0 40 DIAB C[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccsc1 90668034 XIZNDGOJCJZKHV-GJZGRUSLSA-N 315.486 4.019 0 40 DIAB Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCCC[C@H]1C 95942305 WCXUJDUXMGBZEZ-IUODEOHRSA-N 313.401 4.350 0 40 DIAB ClC12C[C@H]3C[C@H](C1)CC(c1nnc(-c4ccco4)o1)(C3)C2 102168647 CWKHRKBZVUBXIB-YXEONTRPSA-N 304.777 4.159 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1C 225612791 DLZVHMQOCJXBQD-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CC[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1 226776507 ZZRZPEWACKYGBW-UHFFFAOYSA-N 320.235 4.033 0 40 DIAB COC(=O)c1ccc(CN2c3ccccc3[C@H](C)CC2(C)C)o1 260624998 XSHHGNIUPWDSNO-CYBMUJFWSA-N 313.397 4.359 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CCCCCCC1 408678049 DTYIQQAKTSNIEY-GOSISDBHSA-N 303.446 4.382 0 40 DIAB COc1ccccc1C(=O)Nc1ncc(-c2ccccc2C)s1 1533572728 BNMLFKUUDACIDG-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C\C(C)=C\c2ccccc2)C1=O 1161724 XZPFXOLNRBONQF-AHJQOEMQSA-N 301.411 4.468 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C 2628273 QVBBMVFMPOFEDQ-UHFFFAOYSA-N 321.829 4.463 0 40 DIAB CCCC(=O)N[C@H](Nc1ccccc1C)C(Cl)(Cl)Cl 2667171 WFZWYHBFEJHDDE-LBPRGKRZSA-N 323.651 4.020 0 40 DIAB Cc1ccccc1Nc1nnc(SCC(=O)C(C)(C)C)s1 3222363 VAUDYMDJVRSGHY-UHFFFAOYSA-N 321.471 4.297 0 40 DIAB c1ccc(CCNc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 3354802 OKHXHULWTIRTML-UHFFFAOYSA-N 324.405 4.193 0 40 DIAB Cc1nnc(SCC(=O)c2c(C)c(C)cc(C)c2C)s1 3389314 ANGVFLLGNLXGJD-UHFFFAOYSA-N 306.456 4.055 0 40 DIAB C[C@@H](CCc1ccccc1)N1C(S)=N[C@H]2C=C(Cl)C=C[C@@H]21 4363918 DGQPNDLUJBWOAD-RCBQFDQVSA-N 318.873 4.039 0 40 DIAB C/C(=C\C(=O)Nc1cc(Cl)ccc1C(=O)O)c1ccccc1 4548917 JFVIQFQOTGFEMK-PKNBQFBNSA-N 315.756 4.080 0 40 DIAB CCOc1cccc(NC(=O)c2ncoc2-c2cccc(C)c2)c1 5001977 RMYNVNAMLSOPDJ-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB O=C(Nc1cccc(F)c1)c1ccccc1C(=O)c1ccccc1 7944759 VBDTYPRSJSNDQG-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB Fc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1 8704417 XIEGMSLYIJTVOY-UHFFFAOYSA-N 321.764 4.216 0 40 DIAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1 12462004 ICFGAZWLXBLDNE-VXPUYCOJSA-N 324.449 4.140 0 40 DIAB CC(=O)Nc1cccc(NC(=O)CCCC2CCCCC2)c1 12734879 IJOXRRKSNZTUSB-UHFFFAOYSA-N 302.418 4.334 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCCc2ccccc21 20112008 MJFVTAUYCLLVRV-VQTJNVASSA-N 323.436 4.346 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 22561584 FZQVVFJAPROZAH-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C(c1cc2ccccc2s1)N1CCC[C@@H]1c1ccncc1 23055108 PSQNONAAOSLMOX-OAHLLOKOSA-N 308.406 4.274 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)on1 25615510 YNKIGCBVOKNMEF-AWEZNQCLSA-N 306.365 4.175 0 40 DIAB CCn1c(C)cc(-c2csc(NCc3ccco3)n2)c1C 25666083 JLCYFAPONQLOQI-UHFFFAOYSA-N 301.415 4.453 0 40 DIAB c1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222416 LMPRBSXCAMABJF-HXUWFJFHSA-N 317.436 4.099 0 40 DIAB O=C(c1csc(Br)c1)N1CC[C@@H]1c1ccccc1 32928139 AGDSSUOOUSVYIA-GFCCVEGCSA-N 322.227 4.098 0 40 DIAB Cc1ccc(Cl)cc1Nc1nc(-c2ccccc2)cc(=O)[nH]1 36077496 ZGBYWTBGSDVZIC-UHFFFAOYSA-N 311.772 4.142 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 36562709 ULMVJVBENWRWSY-GUYCJALGSA-N 317.816 4.375 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 44900125 CGOJBLDBONATBP-WMLDXEAASA-N 315.388 4.169 0 40 DIAB CC(C)N(Cc1cccc(Cl)c1)Cc1nnsc1Cl 47959070 GTRSBANXOABSBX-UHFFFAOYSA-N 316.257 4.256 0 40 DIAB CCCCOc1ccc(-c2cc3c(Cl)nccn3n2)cc1 57352188 JOTUXFYQIWFHBY-UHFFFAOYSA-N 301.777 4.229 0 40 DIAB Cc1ccc(NC(=O)CSc2cccc3cccnc23)cc1 59497555 DGYZQAJVFNVVLJ-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Cc1ccc2oc(C(=O)N(C)[C@H](C)c3cccs3)cc2n1 69491183 DZHAVOFJMAIAHY-LLVKDONJSA-N 300.383 4.031 0 40 DIAB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C1CC1 71624932 IPBRHVDRTRBACF-UHFFFAOYSA-N 312.152 4.312 0 40 DIAB C[C@H](Nc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207682 MCBPVMCGHKCZAR-LSDHHAIUSA-N 304.434 4.134 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CC1 72213754 SGWUSMMRIGBRFH-GOSISDBHSA-N 321.424 4.023 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCCC[C@@H]3CCCC[C@H]32)c1 95457598 GDURBYDPCJDRSB-MAUKXSAKSA-N 314.429 4.466 0 40 DIAB O=C(Nc1ccccc1)Nc1ccc(NCc2ccccn2)cc1 95959254 GCKNGWGGRMUNLF-UHFFFAOYSA-N 318.380 4.338 0 40 DIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999226 CQYWEMBOCPBRBK-FUTJPDQTSA-N 311.347 4.260 0 40 DIAB CCSc1ccccc1NC(=O)COc1cccc(C)c1C 222820254 SSQBTHLXCFZREC-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223212070 XCQOMBAADLFNNF-YOEHRIQHSA-N 303.446 4.285 0 40 DIAB CCCC[C@H](CC)CNC(=O)CSc1ccc(OC)cc1 224338373 QWSXQKWAMKFGEK-AWEZNQCLSA-N 309.475 4.120 0 40 DIAB CCOc1ccc(CNC(=S)Nc2cc(C)ccc2C)cc1 225429050 DMUUDWDDEJMFER-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1ccccc1Cc1nnc(SCc2ccccc2F)[nH]1 226299368 SCKPNTYNQCTNCJ-UHFFFAOYSA-N 313.401 4.135 0 40 DIAB Clc1cccnc1N1CCC(c2ccc3cccnc3n2)CC1 656215033 RAFBZHVPRLWUEU-UHFFFAOYSA-N 324.815 4.062 0 40 DIAB O=C1c2ccccc2-c2nc3c(Cl)cc(Cl)cc3nc21 234291 KYSADBJPIRXTSX-UHFFFAOYSA-N 301.132 4.148 0 40 DIAB Cc1cccc(NC(=O)CSc2cccc3cccnc23)c1 238765 XRYAALNBKXXWSA-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Fc1ccc(CSc2nnc(-c3ccccc3F)o2)cc1 415729 GMWOEJQDOAELHM-UHFFFAOYSA-N 304.321 4.307 0 40 DIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1C 426384 KZBCGTHOUXUEMZ-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@H](C)O2 1328414 GSVVRVADFNASQV-NSHDSACASA-N 319.763 4.102 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1nncc2ccc(Cl)cc12 1599087 KAKXLDWRFKGSOX-ZDUSSCGKSA-N 320.868 4.206 0 40 DIAB CC(C)[C@@H](CCNC(=O)c1cccs1)[C@H]1CCOC(C)(C)C1 2098615 MFCOUHMZEYYAKV-LSDHHAIUSA-N 323.502 4.345 0 40 DIAB biogenic O=C(Nc1cc(F)ccc1F)C1(c2ccccc2)CCCC1 2512731 HUWMYQKNDSUXFL-UHFFFAOYSA-N 301.336 4.415 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1c(F)cccc1Cl 3455037 LCWOHVDXMHVDHU-ZDUSSCGKSA-N 319.807 4.159 0 40 DIAB CCc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1 3473055 NXSHQYAPZOGXLS-UHFFFAOYSA-N 309.365 4.185 0 40 DIAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1F 4263382 AOGLGFWRFTWIRI-UHFFFAOYSA-N 301.704 4.247 0 40 DIAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(F)cc1 4471065 YSMGCLCLIYIGRJ-WQRHYEAKSA-N 317.319 4.323 0 40 DIAB CCOc1cnc(-c2c(-c3ccccc3Cl)noc2C)o1 5476096 IAJIUHRXCAWELN-UHFFFAOYSA-N 304.733 4.357 0 40 DIAB COc1ccc(C)cc1NC(=O)CSCc1ccc(C)cc1 6395371 HIOOBHCMPCKYBR-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB O=C(NN=Cc1ccccc1)c1sc2ccccc2c1Cl 6414158 RGUIALPNHIAJNJ-UHFFFAOYSA-N 314.797 4.319 0 40 DIAB C[C@H](NC(=O)Cc1ccccc1F)C12CC3CC(CC(C3)C1)C2 6879196 ZACUHCZJRAYIIZ-IVKJLDKCSA-N 315.432 4.089 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 8480740 AAKWRXPMPJUPKT-INIZCTEOSA-N 301.430 4.077 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)ccc1C 8495679 NJFVHYWMQAJTSN-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB COc1cc(C=O)c(Sc2ccc(Cl)cc2)cc1OC 8729768 SQBPIJLYGAWVMM-UHFFFAOYSA-N 308.786 4.321 0 40 DIAB CCC[C@H](C)C(=O)Nc1nnc(CSc2ccccc2)s1 9355801 XTTRSAJINSCQHM-NSHDSACASA-N 321.471 4.205 0 40 DIAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)on1 12422408 SPQGZNZNZJDIRJ-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB COc1cccc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 12864430 ADLBRKBXWBGREV-IBGZPJMESA-N 311.425 4.141 0 40 DIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12914729 CSEODAXTNJMAMO-UHFFFAOYSA-N 324.355 4.288 0 40 DIAB Cc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 12948351 MAASHGBPLOJREP-UHFFFAOYSA-N 316.300 4.081 0 40 DIAB Cc1ccccc1/C=C/C(=O)N1CC=C(c2ccccc2)CC1 12997049 ATGNBTLSDOXQRO-VAWYXSNFSA-N 303.405 4.324 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 14258527 LTXPGJXRJRXNGW-UHFFFAOYSA-N 321.376 4.445 0 40 DIAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 14424906 XEJBLPQMGQXKBT-SECBINFHSA-N 314.237 4.475 0 40 DIAB COc1ccc2ccccc2c1/C=C1/SC(=S)N=C1O 15933451 YGHRMTBYJMUQLI-MDWZMJQESA-N 301.392 4.178 0 40 DIAB Clc1ccccc1C[n+]1cc(-c2ccccc2)n2c1CCC2 17208982 WJTRDPWPQSRTMK-UHFFFAOYSA-N 309.820 4.091 0 40 DIAB CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 21203798 DNLNBBFQDZTFCU-OAHLLOKOSA-N 312.800 4.089 0 40 DIAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2)c1 22072088 IMHIEFYZRHJUDQ-UHFFFAOYSA-N 319.364 4.086 0 40 DIAB CCOc1ccc2cc(C(=O)c3ccc(F)c(F)c3)oc2c1 22452670 VQBBJRBNDXPWRB-UHFFFAOYSA-N 302.276 4.341 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1OC 38755576 OPYCQAGJOSMPJK-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N[C@H](C)c1ccc(C)o1 40096160 MELWHWKTPWYQJO-SNVBAGLBSA-N 308.765 4.133 0 40 DIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1CCCCC1 41107624 FJDFOTLEKFCFMG-UHFFFAOYSA-N 321.380 4.409 0 40 DIAB Clc1cc(Br)ccc1OCC[C@@H]1CCCCN1 42772260 CBFQHMHLCRGZOA-NSHDSACASA-N 318.642 4.014 0 40 DIAB Cc1ccoc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 44567776 LKZQNNJGHNXRBA-UHFFFAOYSA-N 321.380 4.040 0 40 DIAB Cc1cccc(CNC(=O)N[C@@H](C)c2cc(C)sc2C)c1 48309884 CIPLXILJLVFCIF-ZDUSSCGKSA-N 302.443 4.234 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 48416018 KOYJROXKJBTRDS-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Cc1ccc(CCNC(=O)c2ccc(Oc3ccccc3)o2)cc1 72260075 URFOYFGYWFHCBA-UHFFFAOYSA-N 321.376 4.353 0 40 DIAB CC(C)(C)c1ccc(NC(=O)C2CCN(CC3CC3)CC2)cc1 84284460 VWMYDHUXOHPTBQ-UHFFFAOYSA-N 314.473 4.045 0 40 DIAB C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(N(C)C)nc1 89904666 JVMSJSQSGFJMAH-LBPRGKRZSA-N 321.827 4.133 0 40 DIAB COc1cc([C@H](C)NCc2ccco2)ccc1SC(F)F 95419192 YKOOLVWHPGZBEE-JTQLQIEISA-N 313.369 4.454 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100756541 KUJBNEHZPLWFTD-ROUUACIJSA-N 319.832 4.372 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1C 107606411 GBHASAWMSWPKLT-UHFFFAOYSA-N 308.410 4.056 0 40 DIAB Cc1ccc(C(=O)NCCSC2CCCCC2)c(Cl)c1 224996101 JSRMUURONHKSSS-UHFFFAOYSA-N 311.878 4.444 0 40 DIAB Cc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226039231 AIXPUZGJQSJXML-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1c(C)ccnc1C 332141761 KUBCENFKFUCQMS-INIZCTEOSA-N 324.424 4.156 0 40 DIAB ClC(Cl)(Cl)COc1ccccc1Br 1083811046 PXILLJVSNZWEEQ-UHFFFAOYSA-N 304.398 4.198 0 40 DIAB COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 28441 PNGQTNOFXWGWDD-KGLIPLIRSA-N 324.405 4.047 0 40 DIAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc(C)cc2)c1C 385550 NBANBIBAEJMGRC-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB c1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 421118 GVTLJEQKZHBPAX-UHFFFAOYSA-N 318.405 4.108 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 505744 ORUSXXDVPDOHAR-CYBMUJFWSA-N 301.361 4.357 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 579743 FEJBQYHIZUJTOG-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)c(Cl)c1 2514573 KYWICYLVUOOTCK-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB CCOc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 2714025 GHOJQYHGBKTJMY-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB Cc1cc(OCc2ccc(C(=O)N3CCCC3)o2)ccc1Cl 2763835 BPNTXXCSVQNIPT-UHFFFAOYSA-N 319.788 4.056 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cc(Cl)ccc1Cl 3572875 YPNKCPHIOSJVAY-MFKMUULPSA-N 316.228 4.067 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3[C@@H]1CC=C(C)C[C@H]1C 4029031 SSBXMBLMSWKYIH-ZXYWRSMDSA-N 310.441 4.356 0 40 DIAB biogenic CCCCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 4682340 UXGPXRUZERZVHG-UHFFFAOYSA-N 300.358 4.051 0 40 DIAB CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 5476425 VBVDNWVPLOUMPP-UHFFFAOYSA-N 317.816 4.159 0 40 DIAB CCOc1ccc(OCC(=O)Nc2ccc(C)cc2Cl)cc1 5637061 MNOSKZQVMBFPLG-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CCC[C@@H](C)C(=O)N(C(C)=O)c1ccc(Cl)c(Cl)c1 5785378 NZVYBNYMJRDNNT-SECBINFHSA-N 302.201 4.309 0 40 DIAB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)cc1 5798819 STKUJHBDCQWROE-RVDMUPIBSA-N 315.376 4.032 0 40 DIAB CCCn1cc(/C=C2\SC(=O)N(CC)C2=O)c2ccccc21 6325152 BVAHSTRJOSOCAM-GDNBJRDFSA-N 314.410 4.108 0 40 DIAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2OC)cc1 6713392 MHUHMTQTHDQUAB-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB COc1ccc(C)cc1NC(=O)CS[C@@H](C)c1ccccc1 7211307 VMTKCLMHAQJQDP-AWEZNQCLSA-N 315.438 4.437 0 40 DIAB C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCC1 7225226 AVKHYXFYBTZONI-ZDUSSCGKSA-N 308.381 4.009 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1cc2ccccc2o1 8062428 DOLQSZNSXHTHEX-SNVBAGLBSA-N 301.292 4.202 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 8479422 WMMKDMUGDLXRDB-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CCCOc1ccc2nc(C)c(CN3CCCCC3)c(O)c2c1 8717134 HFSDAHYGZLPQIS-UHFFFAOYSA-N 314.429 4.024 0 40 DIAB O=C(Nc1ccccc1F)c1occc1COc1ccccc1 8754595 FYTIDQZFAHOFHL-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB CCC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 9501584 SVZXIPIZRLWWBR-GOSISDBHSA-N 310.397 4.167 0 40 DIAB Cc1ccc(SCCC(=O)N2c3ccccc3C[C@H]2C)cc1 10449667 JSCMEJKHSPCUHW-OAHLLOKOSA-N 311.450 4.455 0 40 DIAB Cc1cccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 10464446 SJSUMOMOKLECIW-UHFFFAOYSA-N 322.408 4.122 0 40 DIAB CCc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)cc2)cc1 11801622 YQWOFFOXESQDAD-UHFFFAOYSA-N 306.365 4.108 0 40 DIAB CC(C)(C)SCC(=O)Nc1nnc(C2CCCCC2)s1 12763826 YFNICLMFNGMEGC-UHFFFAOYSA-N 313.492 4.056 0 40 DIAB Cc1cccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1 12921978 RAANWPHWIFDTFT-ZHACJKMWSA-N 303.405 4.324 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 13001211 RZPUDIDXLNKMPO-IBGZPJMESA-N 323.436 4.167 0 40 DIAB CCc1sc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1C 14245959 TUFWTFJKASLXTF-UHFFFAOYSA-N 323.801 4.253 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccccc2Cl)c1 14573363 FRKAFDNATNMHHD-CQSZACIVSA-N 301.817 4.377 0 40 DIAB O=C(Nc1ccc2ccccc2c1)c1cc(=O)c2ccccc2o1 16598859 LYSOMJNTEVDSQM-UHFFFAOYSA-N 315.328 4.199 0 40 DIAB Cc1ccccc1[C@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1 17055223 XEZHGDOHCASNEU-CQSZACIVSA-N 320.367 4.233 0 40 DIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27582408 XHOWMIJTHYDYMP-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CCCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 27664148 VFCWVIVCCQLYEZ-UHFFFAOYSA-N 322.364 4.383 0 40 DIAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccccc2)c1C1CC1 28267216 XNSYXBVZRJQRPF-UHFFFAOYSA-N 321.355 4.141 0 40 DIAB CCCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 32900334 ALGCWCQAUOHZTR-OAHLLOKOSA-N 324.424 4.258 0 40 DIAB Cc1ccccc1C(=O)NCc1ccnc(Oc2ccccc2)c1 32930540 YSMLPUDEQRDXIL-UHFFFAOYSA-N 318.376 4.112 0 40 DIAB Cc1csc([C@H]2CCCCN2C(=O)CC(C2CC2)C2CC2)n1 72273884 MOSHMYYUEKBJSW-MRXNPFEDSA-N 318.486 4.331 0 40 DIAB C[C@@H](c1ccc(C(F)(F)F)cc1)S(=O)(=O)C1CCCC1 78657674 SBTCLVDIHUYVQN-JTQLQIEISA-N 306.349 4.124 0 40 DIAB COc1ccccc1NC(=O)N1CCCC[C@@H]2CCCC[C@@H]21 95457592 GLBYSCWIDGZIOI-HOCLYGCPSA-N 302.418 4.272 0 40 DIAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1F 96659371 OKVWSMRPJMEDFN-UHFFFAOYSA-N 321.417 4.367 0 40 DIAB C[C@H](NC(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)c1ccncc1 100798701 OOHDSUOSEXGDDE-WDRHUCKYSA-N 312.457 4.255 0 40 DIAB Cc1ncc([C@H](C)N[C@@H](c2cc(F)ccc2F)C2CC2)c(C)n1 152104330 ZSKAGJQJIUNGLO-BBATYDOGSA-N 317.383 4.174 0 40 DIAB Cc1ncsc1CN(C)C(=O)Nc1ccc2occ(C)c2c1 187938548 ABQNLTJLNAVPRS-UHFFFAOYSA-N 315.398 4.170 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 223389946 CWRXAALWJAQSDL-LBPRGKRZSA-N 309.862 4.437 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225514275 SKQBVNCOFLEEMB-LBPRGKRZSA-N 320.408 4.273 0 40 DIAB Cc1cc(NC(=O)c2cccc(Cl)c2)cc2sc(N)nc12 226310423 ZIGIBJOZVIIYQD-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB CCOc1ccc(N=Cc2cc(Br)ccc2O)cc1 254747138 RWTSBLZRCLRZSA-UHFFFAOYSA-N 320.186 4.304 0 40 DIAB CCC(CC)N1CCC(COc2ccc(C)cc2C)(OC)CC1 585281836 BZPAAFURNUUITD-UHFFFAOYSA-N 319.489 4.352 0 40 DIAB CCOC(=O)c1nc2cccc(Cl)c2c(Cl)c1Cl 685937554 QXUHXVMJESMUQM-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB Cc1cccn2cc(CSc3cccc4cccnc34)nc12 125968 FKIOXOGTTQIVNY-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccco1 203645 NMWFEZXGUYUYGA-IBGZPJMESA-N 301.349 4.293 0 40 DIAB CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1OCC 422228 MXCUKVUVPPGWBE-UHFFFAOYSA-N 316.382 4.263 0 40 DIAB O=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12 1101585 YYPFFGGDEUTASO-UHFFFAOYSA-N 320.377 4.489 0 40 DIAB Cc1cc(-c2ccccc2)nc(Nc2nc3ccccc3o2)n1 1627631 NLQVIHPUACLICU-UHFFFAOYSA-N 302.337 4.337 0 40 DIAB CCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 2080118 VJPAJSYCTZRHLF-NSHDSACASA-N 318.244 4.457 0 40 DIAB Cc1ccc2c(CC(=O)N[C@@H]3CCCc4ccccc43)coc2c1 2648022 DMDBLUSZKQTXAP-LJQANCHMSA-N 319.404 4.478 0 40 DIAB C[C@H](NC(=O)COc1ccccc1F)c1ccc2ccccc2c1 5559622 PGWOHGJDGIMGFC-AWEZNQCLSA-N 323.367 4.235 0 40 DIAB Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 6238770 BGVBVBNLNQJQGV-YRNVUSSQSA-N 302.786 4.256 0 40 DIAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccco1 7640737 CFCRPKBBJWRSCW-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB CCCCOc1ccccc1C(=O)Nc1cccc(C(C)=O)c1 7659110 HZLLHRQRCALIJM-UHFFFAOYSA-N 311.381 4.320 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1cc2c(s1)CCC2 7829873 OPEBZAQLQMPXJN-JTQLQIEISA-N 303.452 4.058 0 40 DIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 8287460 SMLHWBMGFMOVPL-UHFFFAOYSA-N 305.736 4.081 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 8480537 PKFJLBWNTUOITF-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Cl)cc1 8719009 MCFCZMBDHIDVMU-GFCCVEGCSA-N 318.804 4.188 0 40 DIAB COc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)c2Cl)cc1 12357671 AAIJMJCEHZZKNT-UHFFFAOYSA-N 314.772 4.414 0 40 DIAB CC(C)Cc1ccc([C@H](C)C(=O)NCCc2cccs2)cc1 12401514 BURTTWFRDSCEQC-HNNXBMFYSA-N 315.482 4.409 0 40 DIAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)C1CCCC1 12600644 QNXZWXQGETVXEV-UHFFFAOYSA-N 315.394 4.242 0 40 DIAB CCc1sc(-c2nnc(-c3cccc(OC)c3)o2)cc1C 12915084 QHOHYBRLCMQSIW-UHFFFAOYSA-N 300.383 4.345 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 13932627 YQIMAJPSYYPCTN-NSHDSACASA-N 320.845 4.396 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1Cl 13935116 RFNFHSGXBZFGSG-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB CCN(CC)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 17054392 SMGIEIQOAGMSIJ-UHFFFAOYSA-N 317.433 4.481 0 40 DIAB Cc1ccc(O)c(Nc2c(C(=O)O)cnc3c(C)cc(C)cc23)c1 19795557 LSNSCNVSSCDTRS-UHFFFAOYSA-N 322.364 4.307 0 40 DIAB O=C(NCCSCc1ccccc1)c1ccc(Cl)s1 23743449 QHTYTZUQDPSSMJ-UHFFFAOYSA-N 311.859 4.065 0 40 DIAB CC[C@H]1CCc2sc(C(=O)Nc3ncccc3C)cc2C1 24840998 XHPBZSMHYLSNPU-LBPRGKRZSA-N 300.427 4.219 0 40 DIAB Clc1cccnc1SCc1nc(-c2ccsc2)no1 25046550 PJXBJELHMCDWGH-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 30756814 VLZDWUIALXYGQJ-QGZVFWFLSA-N 311.425 4.004 0 40 DIAB O=C(Nc1ccncc1)C1(c2ccc(Cl)cc2)CCCC1 32726126 UCDFMWJYMJMNAO-UHFFFAOYSA-N 300.789 4.186 0 40 DIAB CC(C)Oc1ccc(NC(=S)NCCc2ccccc2)cc1 44195145 XYFJRZNFJJEVDD-UHFFFAOYSA-N 314.454 4.003 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(C)cc1 44899779 NVHXSVCGQUGEPZ-LJQANCHMSA-N 311.425 4.119 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)SCc1cccc(F)c1 45090517 LIVHQEJQSLOFFN-GFCCVEGCSA-N 319.401 4.095 0 40 DIAB C[C@@H]1CCCCN1c1c(N)cc(Cl)cc1Br 45886206 JQJPUYYDWKVSAA-MRVPVSSYSA-N 303.631 4.064 0 40 DIAB Cc1cc([C@H]2CCCN2CC(C)C)cnc1N1CCCCC1 72219164 VXJZUISPKOQRPL-GOSISDBHSA-N 301.478 4.173 0 40 DIAB O=C(CCCc1ccccc1)Nc1nc(-c2cccnc2)cs1 72401584 SHARFVJYTBVTQE-UHFFFAOYSA-N 323.421 4.167 0 40 DIAB CCc1n[nH]c(NCc2cc(Cl)cc(Cl)c2OC)c1C 83817397 KINRFNVCQJOPRK-UHFFFAOYSA-N 314.216 4.208 0 40 DIAB C[C@H](NCCCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 95995444 PHMREHRVUUJDDC-UGKGYDQZSA-N 322.496 4.119 0 40 DIAB FC(F)c1cccc(NC2CCN(Cc3ccncc3)CC2)c1 97232257 YKOQFVLSZHTDNR-UHFFFAOYSA-N 317.383 4.096 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1c1cc(O)nc(-c2ccncc2)n1 100287947 IYUDWOAVKPWHRJ-BMFZPTHFSA-N 311.429 4.420 0 40 DIAB Nc1oc(=O)c2ccccc2c1Nc1cc(Cl)ccc1Cl 101425888 YCMOHMPUZFKPBV-UHFFFAOYSA-N 321.163 4.426 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCC2 223251985 HJPFIIIPWDBOGZ-AWEZNQCLSA-N 311.400 4.124 0 40 DIAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)cc1C 225059604 PELJLYCQIGFXNT-INIZCTEOSA-N 304.773 4.032 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1c(F)cccc1F 225514221 VLNGREQYKIVRIM-GFCCVEGCSA-N 320.408 4.273 0 40 DIAB Fc1ccccc1NC(=S)NCCCc1ccc(Cl)cc1 225543573 CIZMNPZDMUXESX-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB CCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Cl)c1 226763182 ILWIPYJGHAFQOB-UHFFFAOYSA-N 318.804 4.272 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCc2c(Cl)cccc21 1533832392 MSYLWGMOETZZAS-UHFFFAOYSA-N 322.795 4.334 0 40 DIAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccco2)cs1 1775967781 CYHJFNKFVYNLPW-UHFFFAOYSA-N 315.369 4.006 0 40 DIAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(F)cc1 2414632 KZZSQGRCKCLCRL-OAHLLOKOSA-N 318.325 4.355 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(C)cc1C 2517481 ODFYFIDCAPZHDR-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 3040142 IBQCZRZMLBUNDJ-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB S=C(Nc1ccc(N2CCCCC2)cc1)NC1CCCCC1 3450921 UMZHDDGBUUUBLP-UHFFFAOYSA-N 317.502 4.296 0 40 DIAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)CC1=O 4537748 RVSSFXUENQNQJK-ROGQGFJNSA-N 302.458 4.413 0 40 DIAB in-vitro COc1nc2cc(C)ccc2cc1-c1noc(-c2cccs2)n1 5556405 NCMXLXKKMDMCES-UHFFFAOYSA-N 323.377 4.330 0 40 DIAB O=C(c1ccccc1)N(Cc1cccc(F)c1)Cc1ccco1 6747570 XATYROMDIYYCRC-UHFFFAOYSA-N 309.340 4.261 0 40 DIAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016200 GTHTWTQDRSQZOE-MRXNPFEDSA-N 308.425 4.171 0 40 DIAB CN(Cc1ccsc1)Cc1nc(-c2ccc(Cl)cc2)no1 7806219 MEFWZOFRSWOTBJ-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB Cc1ccc(SCc2cc(O)n3c(n2)nc2ccccc23)cc1 8739954 VCVKAOPORRMCQJ-UHFFFAOYSA-N 321.405 4.189 0 40 DIAB O=C(NCc1ccccc1Cl)Nc1nc2ccccc2s1 10037273 LLRLIYPVAGVELG-UHFFFAOYSA-N 317.801 4.271 0 40 DIAB Cc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c(O)c1 10123572 JIVMFLUPRCJPEL-UHFFFAOYSA-N 306.365 4.052 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 12661366 NQUQIAYCNLKMTR-MBLGUKAXSA-N 316.441 4.265 0 40 DIAB biogenic CC(C)CCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736627 HWHUXUTVQBQCSS-UHFFFAOYSA-N 316.376 4.085 0 40 DIAB CC[C@@H](Nc1ccccc1OC)C(=O)Nc1cccc(C)c1C 20296723 IMPYBYPVFHESIP-OAHLLOKOSA-N 312.413 4.141 0 40 DIAB Cc1noc(C)c1COc1ccc(C(=O)c2ccccc2)cc1 23513264 DSJUMFKQCKTRPX-UHFFFAOYSA-N 307.349 4.101 0 40 DIAB CC(C)NC(=S)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24633001 QELRLMFJTWGIBY-SFHVURJKSA-N 324.449 4.395 0 40 DIAB CC(C)[C@@H](NC(=O)CCc1ccco1)c1ccc(Cl)cc1 32883679 YXIHNJXWFGBJIO-QGZVFWFLSA-N 305.805 4.379 0 40 DIAB C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccn1 32973733 KSMIESNFJXUKAM-OAHLLOKOSA-N 320.392 4.152 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C 40155735 CDWKJPACYVRXMX-IEZWGBDMSA-N 316.489 4.058 0 40 DIAB CSc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1 49547150 WTKZCBGJUQVRCH-CYBMUJFWSA-N 315.442 4.484 0 40 DIAB O=C(Nc1ccc(F)cc1F)Nc1ccc(Cl)cc1F 51354097 AEZHBGUNNFQKMH-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CCC(CC)(NC(=O)Nc1cc(C)on1)c1ccc(Cl)cc1 58330618 QWJOTICSDOFTRU-UHFFFAOYSA-N 321.808 4.473 0 40 DIAB S=C(NC1CCCCC1)N[C@@H]1CCc2c(Cl)cccc21 63790848 DNTHLHMYCNHMIL-OAHLLOKOSA-N 308.878 4.124 0 40 DIAB CSCc1nnc(SCc2cc(C)nc3ccccc23)o1 71905480 IGWQZWLJWCBZTC-UHFFFAOYSA-N 317.439 4.082 0 40 DIAB CCOc1ccc(NCc2cc(Cl)c(O)c(OC)c2)cc1 76273819 YOGHZQMWJLFJIB-UHFFFAOYSA-N 307.777 4.065 0 40 DIAB Clc1ccc(-c2nc(CSC[C@@H]3CCCCO3)no2)cc1 84421704 KFFCJJPANPKRJA-ZDUSSCGKSA-N 324.833 4.192 0 40 DIAB CC(C)Oc1cccc([C@@H](O)c2ccccc2Br)c1 89064956 OHPGRETWXDHTDS-MRXNPFEDSA-N 321.214 4.318 0 40 DIAB CC(=O)c1ccc(Cl)c(NC(=O)CCc2ccsc2)c1 89292086 GMOWICOOAPFOEX-UHFFFAOYSA-N 307.802 4.175 0 40 DIAB CC(=O)N(C)Cc1cccc(NCc2cc(Cl)ccc2F)c1 96483923 WZSCVXLLRNOBKO-UHFFFAOYSA-N 320.795 4.070 0 40 DIAB CC(NC(=O)C1[C@H]2CCC[C@H]12)(c1ccccc1)c1ccccc1 101474221 YBIGRZXQYWDHBU-ROUUACIJSA-N 305.421 4.112 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 103451951 LFHFPGLXPSYAQT-KCQAQPDRSA-N 301.430 4.367 0 40 DIAB O=Cc1cn(C(=O)OCc2ccccc2)c2cc(Cl)ccc12 199814347 YZIMRMQYRXTXEQ-UHFFFAOYSA-N 313.740 4.292 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)CCCc1nc2ccccc2o1 224950912 XEKUZWRSURLNIZ-UHFFFAOYSA-N 316.445 4.482 0 40 DIAB Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 86910 FISOAGNIVQHXLP-ZSOIEALJSA-N 314.182 4.250 0 40 DIAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2)cc1 502977 LAAXVMKAZUZGRS-UHFFFAOYSA-N 312.438 4.111 0 40 DIAB Cc1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)O)c1C 1404975 BUAKMFBGWYVGCD-UHFFFAOYSA-N 320.348 4.251 0 40 DIAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1F 3321900 BUOCKHREBITGQM-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 3429887 WXWCCHADCLKMKC-FPYGCLRLSA-N 311.690 4.409 0 40 DIAB Cc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(C)c1 5267958 JGLIYBKNWHOAAP-LBPRGKRZSA-N 314.454 4.066 0 40 DIAB CCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC 5524096 RUZBJWOLSQKZAL-ZDUSSCGKSA-N 308.355 4.155 0 40 DIAB Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 5865937 MYUCXFYBFDIXJB-INIZCTEOSA-N 319.404 4.404 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 6316101 HDMPVVIIJZOBLK-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)nc2ccccc12 6607442 GMCPQTFYAMIBDI-UHFFFAOYSA-N 322.755 4.017 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)Nc1nc2ccccc2s1 7767397 IIPXCWOEGLWYCH-NSHDSACASA-N 314.435 4.416 0 40 DIAB Cc1cccc(-c2nnc(COC(=O)c3cccc(C)c3C)o2)c1 7952243 MUZVWSPQFKDBBQ-UHFFFAOYSA-N 322.364 4.019 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2cccc(C)c2)c(OC)c1 8325965 MKZOZFRNCFMONH-MRXNPFEDSA-N 313.441 4.471 0 40 DIAB CCC(C)(C)NC(=O)c1sc2cccc(F)c2c1COC 8395537 LWFQDEZZAGGSHG-UHFFFAOYSA-N 309.406 4.105 0 40 DIAB Cc1ccc(C(=O)CSc2ncnc3ccsc23)s1 9048913 LOOWSQSVYBAUSO-UHFFFAOYSA-N 306.437 4.036 0 40 DIAB Cc1ccc(NC(=O)NCc2csc(-c3ccccc3)n2)cc1 14901419 HWSDNBVMOVMUSW-UHFFFAOYSA-N 323.421 4.440 0 40 DIAB Cc1cccc(CSCC(=O)NCc2ccccc2Cl)c1 15583615 YXNRAOYTVVLAPF-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB Cc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1C 20044118 YICMTTRKJVMYBU-UHFFFAOYSA-N 301.817 4.158 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1C 20138780 PCTCARFHURQINO-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)C1CCCCC1 20484184 MVBKHBRGZHUBKV-GOSISDBHSA-N 303.446 4.252 0 40 DIAB CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccc(Cl)s1 21670970 PETCNDHAMAWLQO-UHFFFAOYSA-N 318.829 4.198 0 40 DIAB CC(=O)Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 22011023 ORYHRBOKCCLJRE-UHFFFAOYSA-N 303.720 4.348 0 40 DIAB CCOc1ccc(-c2c(C)[n+](-c3ccccc3)c3n2CCC3)cc1 26441893 VPYYUEHHGFAJPT-UHFFFAOYSA-N 319.428 4.085 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1F 30758000 WAHPWNYCJJEUFM-ZDUSSCGKSA-N 301.361 4.355 0 40 DIAB CC(C)[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1cccs1 32715685 BSKWABVKTYDBPF-YOEHRIQHSA-N 317.454 4.167 0 40 DIAB CC(C)(C)c1ccc(NC(=O)NCCOc2ccccc2)cc1 35597150 NMAAATJWSFTUSC-UHFFFAOYSA-N 312.413 4.185 0 40 DIAB CN(Cc1ccco1)C(=O)c1cccnc1Sc1ccccc1 36705248 JVYFTKLFJNLOLG-UHFFFAOYSA-N 324.405 4.098 0 40 DIAB CC(C)(C)CC(C)(C)c1cc(N)c(O)c(Br)c1 40542464 POXBNQWUOQWEQL-UHFFFAOYSA-N 300.240 4.451 0 40 DIAB C[C@@H](NC(=O)Nc1ccccc1)c1cccc(OC(F)F)c1 45949005 IVAFNYZKGJFJDZ-LLVKDONJSA-N 306.312 4.171 0 40 DIAB C[C@@H](c1cccnc1)N(C(=O)c1cccc(Cl)c1)C1CC1 65605536 HTARAFSAKRSCPL-LBPRGKRZSA-N 300.789 4.101 0 40 DIAB FC(F)(F)Sc1ccccc1NCc1nc(C2CC2)no1 71185085 LDDVCBMWNSFKNX-UHFFFAOYSA-N 315.320 4.171 0 40 DIAB CCOc1ccc(C(F)(F)F)cc1NCc1nc(C)c(C)o1 72312471 VZVKLQSUKPJCRR-UHFFFAOYSA-N 314.307 4.321 0 40 DIAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2cccs2)SC1 79487489 BQYUHDAMYNOLHG-AWEZNQCLSA-N 319.455 4.484 0 40 DIAB Cc1nc2ccc(NC(=O)CCc3ccc([C@H]4C[C@H]4C)o3)cc2o1 84290328 VKCXLRZTNNIHHQ-ABAIWWIYSA-N 324.380 4.424 0 40 DIAB Cn1c(Cl)cnc1CN(C1CC1)[C@@H]1CCCc2ccccc21 84303816 JWZWLOGOZNIVHQ-MRXNPFEDSA-N 315.848 4.116 0 40 DIAB CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1 95456988 IWRAODDVXGFRRT-UHFFFAOYSA-N 319.330 4.229 0 40 DIAB Cc1ccc(Cl)cc1[C@@H](O)c1ccc(Br)cc1 95730344 CMYLEKCFMBFMBR-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB C[C@@H](C(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1cccs1 95961556 DVGUAYHSWVYBJY-RISCZKNCSA-N 305.830 4.479 0 40 DIAB C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ccc2ccccc2n1 95967678 GOKCWFVCCZJLHQ-CABCVRRESA-N 306.409 4.222 0 40 DIAB CC(C)n1cc([C@@H](C)N[C@@H](CCc2ccccc2)C(F)F)cn1 95996324 TZQDLFOKSJLRDU-PBHICJAKSA-N 321.415 4.381 0 40 DIAB C[C@@]12CC3CC(NCc4ccc(C(=O)O)cc4)(C1)C[C@@](C)(C3)C2 101662385 ASFWDZXKFWCQKK-DSOJJBLGSA-N 313.441 4.223 0 40 DIAB Cc1sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1-c1ccccc1 102088456 WMELCSMTMPPVOB-BPLDGKMQSA-N 312.438 4.493 0 40 DIAB COc1cccc2cc(C(=O)Nc3cc(Cl)ccc3O)oc12 107348831 HOECUNBPCWKTLE-UHFFFAOYSA-N 317.728 4.053 0 40 DIAB C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(F)cc1 225472891 PJLAYHREXJRFPL-VIFPVBQESA-N 310.344 4.152 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225637423 LVPQVAXBRZRSHU-IFXJQAMLSA-N 319.445 4.316 0 40 DIAB COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)c(OC)c1 226291239 COWRINQOYPQOKT-NRFANRHFSA-N 320.388 4.453 0 40 DIAB c1csc(C2=N[C@@H]3SC(c4cccs4)=N[C@@H]3S2)c1 226757342 OWGONMGDVRAGSN-VXGBXAGGSA-N 308.478 4.149 0 40 DIAB CC(C)C(NC(=O)CCCOc1ccc(Cl)cc1)C(C)C 408705675 LCMDYYSRXNSTOF-UHFFFAOYSA-N 311.853 4.296 0 40 DIAB Cc1nc2cc(C(=O)Oc3ccc(Cl)cc3)ccc2s1 408978221 LKLSLVCCGHTIIA-UHFFFAOYSA-N 303.770 4.477 0 40 DIAB COC(=O)c1cn(CCOc2ccc(C)c(C)c2)c2ccccc12 555746 GJWSVESJVUGEMN-UHFFFAOYSA-N 323.392 4.124 0 40 DIAB COc1c(C)cc(C(=O)CCCC2OCC(C)(C)CO2)cc1C 2518075 WMUOJSBLTNDJGL-UHFFFAOYSA-N 320.429 4.064 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 3427763 JBLNSDWTKKNKEU-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cccc(-n2c(S)nnc2-c2c[nH]c3ccccc23)c1 3885792 RTHYPKREPKNNCU-UHFFFAOYSA-N 306.394 4.013 0 40 DIAB CCCCCC(CCCCC)(C(=O)OCC)C(=O)OCC 4758851 ZACKAFBQSUHPCB-UHFFFAOYSA-N 300.439 4.260 0 40 DIAB Cc1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 5337619 ODADTGZXHAYVOW-UHFFFAOYSA-N 302.337 4.337 0 40 DIAB CCc1cc(CN2CCCC2)c(NC(=O)c2ccccc2)s1 5677846 CSVGXSMOURGNQD-UHFFFAOYSA-N 314.454 4.159 0 40 DIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccncc2)N3)C1 6247070 JOLZASFSZCJYLS-BMIGLBTASA-N 313.426 4.087 0 40 DIAB CC(C)CNCc1ccc(-c2ccc(Br)cc2)o1 6883625 DWCBTIGORXRBAX-UHFFFAOYSA-N 308.219 4.455 0 40 DIAB O=C(NCCc1ccccc1F)c1ccc(Cl)c(Cl)c1 7545034 HYJWVGUWPAVUML-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB Cc1nc2ccc(NC(=S)NC3CCCCC3)cc2s1 7560226 LJIKNSHPDVLCKB-UHFFFAOYSA-N 305.472 4.224 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(Cl)c1F 8015015 UYSLDKNUPKOHHC-UHFFFAOYSA-N 302.736 4.142 0 40 DIAB Oc1cccc2c(-c3ccc(O)c4c(O)cccc34)ccc(O)c12 13377009 GNXOYKGSVQTWOE-UHFFFAOYSA-N 318.328 4.482 0 40 DIAB biogenic,in-vitro C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccccc1 13689005 OXKHWKYGTNDTPY-HOTGVXAUSA-N 319.404 4.485 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)cc1C 17054035 ZKYXPVHQSFYRIH-UHFFFAOYSA-N 316.451 4.343 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N1c2ccccc2C[C@@H]1C 20050227 DRZNNQASBBEJQL-KXBFYZLASA-N 309.409 4.130 0 40 DIAB c1ccc2c(CN3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)cccc2c1 22580085 PJPDUEXDCPPVHM-LRXVAGHRSA-N 320.480 4.146 0 40 DIAB COc1ccc(-c2nc(COc3cccc(C(C)=O)c3)co2)cc1 25472899 WBLOXUXWZPETMX-UHFFFAOYSA-N 323.348 4.132 0 40 DIAB CCc1ccc([C@H](C)NC(=O)NCCSC2CCCC2)cc1 40086459 RXMPSDIWPHSIEW-AWEZNQCLSA-N 320.502 4.285 0 40 DIAB CCc1cccc(NC(=O)c2cc(-c3ccccc3F)on2)c1 40087368 BCUWKGJQPIXKMU-UHFFFAOYSA-N 310.328 4.295 0 40 DIAB CCC(=O)Nc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 46018703 BXCPZPGQGOOGQO-UHFFFAOYSA-N 307.353 4.061 0 40 DIAB Cn1c(S[C@H]2CCCc3ccccc32)nnc1-c1ccco1 48275600 BHAIZHWRBUTJNR-HNNXBMFYSA-N 311.410 4.245 0 40 DIAB c1ccc2sc(-c3nc4c5ccccc5ncn4n3)cc2c1 58047144 ZXDZSNNVIIMIGJ-UHFFFAOYSA-N 302.362 4.159 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)CCc1ccccc1 58355203 PAUAGEXRUCCKJS-QZTJIDSGSA-N 324.468 4.328 0 40 DIAB CCCCNc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72213666 VMZHCBLWAAUCLM-GOSISDBHSA-N 323.440 4.271 0 40 DIAB Cc1ncc(NC(=O)CCCc2ccccc2)c(C)c1Cl 72265152 NCAWAFCXGSHJAB-UHFFFAOYSA-N 302.805 4.313 0 40 DIAB CCCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 72331430 SCHHIKGOHSHUKG-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB CC(C)(C)c1ncsc1NC(=O)c1cnc(C2CC2)s1 75094466 KDWNBHTUNDQHCT-UHFFFAOYSA-N 307.444 4.027 0 40 DIAB Cc1cccc([C@@H]2CCCN2Cc2cnn(C)c2C(F)(F)F)c1 79092930 ZZCAEQQJBATUFJ-HNNXBMFYSA-N 323.362 4.084 0 40 DIAB CC(C)c1cc(N2CCc3sccc3C2)nc(C(C)C)n1 89893316 KXOCUROXQAJAEP-UHFFFAOYSA-N 301.459 4.348 0 40 DIAB CCc1cnc(CSCc2ccccc2Br)o1 95962042 KQOVITPBWFXNFS-UHFFFAOYSA-N 312.232 4.433 0 40 DIAB CC(=O)Nc1cc(NCc2cnc(C3CC3)s2)ccc1Cl 95977517 GQSWAMOJUOBYON-UHFFFAOYSA-N 321.833 4.244 0 40 DIAB CCOCc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 96461434 WBOSTJBHLOTTEN-RDJZCZTQSA-N 302.418 4.020 0 40 DIAB C[C@@H](NCc1csc(-c2ccccn2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108058362 BRMCZKBPVDKMGT-ORIJERBGSA-N 313.470 4.119 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1c(F)cccc1F 216241986 KMGZSHFWSICTMV-INIZCTEOSA-N 319.351 4.378 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 222571633 HGKUUSRSGAHCHR-UHFFFAOYSA-N 323.318 4.180 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223489745 ZJCXECOTMWRYPJ-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1F 224615990 NGLQVJRBJZODGM-ZBFHGGJFSA-N 309.425 4.316 0 40 DIAB COC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCC1 225627911 GDZZNDSTTZFHRQ-UHFFFAOYSA-N 317.429 4.296 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1)C1CC1 225722311 WDMWATKLJHXLGX-SCLBCKFNSA-N 305.418 4.008 0 40 DIAB O=C(CCc1ccccc1F)NCCCc1ccccc1Cl 225735488 FSZFSQZQEDBKPJ-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)C)cc1 225737441 QCORPHNIWOPEKV-SFHVURJKSA-N 307.434 4.398 0 40 DIAB Fc1cnc2c(N3CCC(c4ccccc4)CC3)ccnc2c1 514881751 XLZVZCMTSPBHTR-UHFFFAOYSA-N 307.372 4.153 0 40 DIAB COc1cncc(/C=C/CCNc2ccc(C)c(C(C)=O)c2)c1 569987704 FFVRNHZZPHHYFO-GQCTYLIASA-N 310.397 4.117 0 40 DIAB COc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1 1083103603 QIUKFOAEKFKMHS-UHFFFAOYSA-N 318.332 4.090 0 40 DIAB CCc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C 131306 RMJDIQSAAWVXGN-UHFFFAOYSA-N 304.773 4.195 0 40 DIAB CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 559749 LKMGOLSRTADMAN-UHFFFAOYSA-N 312.388 4.314 0 40 DIAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C/c1ccccc1Cl 1635665 JWECFDHHHFPOGP-VCDBLXLWSA-N 309.881 4.472 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 2592595 HHURDGLMYPXUGF-UHFFFAOYSA-N 305.175 4.402 0 40 DIAB COc1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 3147504 ZBIPBAQRUCNULR-UHFFFAOYSA-N 318.336 4.037 0 40 DIAB CC(=O)N(C)C(c1ccccc1)(c1ccccc1)c1ccccc1 4726507 SLYNTILSJSTZMU-UHFFFAOYSA-N 315.416 4.457 0 40 DIAB CC(C)Oc1ccc(-c2nnc(S)n2-c2ccccc2)cc1 5817434 YJUCSKLTUKDLTO-UHFFFAOYSA-N 311.410 4.010 0 40 DIAB COc1ccccc1CNC(=O)Nc1cccc(C(F)(F)F)c1 6200395 YANWOOJWUCZJND-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB CC(=O)c1oc2ccccc2c1NC(=O)CSC1CCCC1 6882232 MGTPSRUNAIPWEQ-UHFFFAOYSA-N 317.410 4.250 0 40 DIAB CC(C)c1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 7601543 KWSPMRZBPHHZJE-UHFFFAOYSA-N 324.453 4.475 0 40 DIAB Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2c2cccs2)c1 8320455 QFAWNFYYYMSLQE-INIZCTEOSA-N 314.454 4.141 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)c(C)c1 8369785 MWQKTEIWZYKIJR-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB COc1cccc2cc(C(=O)Nc3nc4ccccc4s3)oc12 8960282 UUDWBXHVHMBWRW-UHFFFAOYSA-N 324.361 4.303 0 40 DIAB O=C(Nc1nccs1)c1ccccc1SCc1ccco1 9113943 GTZJTGYWEPIMJY-UHFFFAOYSA-N 316.407 4.281 0 40 DIAB O=C(Nc1ccccc1F)c1csc(-c2cccs2)n1 9497227 LXPAYXXODBJLRY-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]1c1cccs1 9577742 UCAUNCPTLXLPLM-HBWSCVEGSA-N 324.405 4.266 0 40 DIAB O=Cc1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 9741016 DESPBXZRLBJHTN-UHFFFAOYSA-N 318.254 4.253 0 40 DIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccs1 20139458 GCPGJKZPJVPRHF-UHFFFAOYSA-N 313.378 4.061 0 40 DIAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(C)cc1 20456267 SGDIWDMXWAQCHB-SFHVURJKSA-N 311.425 4.258 0 40 DIAB CC(C)CC[C@H](CCN1CCN(C)CC1)c1ccc(Cl)cc1 20573568 CKZXYKDYTTZJGL-GOSISDBHSA-N 322.924 4.497 0 40 DIAB Cc1cc(C)cc(N=c2cc(C(=O)O)[nH]c3ccc(C)cc23)c1 21657791 ROZSMYMNPPGWKS-UHFFFAOYSA-N 306.365 4.024 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1 26203785 MHOCZJKHOPSOMM-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3cccc(C)c3C)c2)n1 33123939 DCIMEFBYWOKCFK-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB c1ccc([C@H]2CN(Cc3cccnc3)Cc3ccccc32)cc1 43670550 YXEFCMBKCLLCHG-OAQYLSRUSA-N 300.405 4.229 0 40 DIAB Brc1cccc(C2(NCc3ccccn3)CCC2)c1 71924565 BZDVTJVVANZABC-UHFFFAOYSA-N 317.230 4.013 0 40 DIAB Cc1csc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n1 72298781 MKVVKWKSCPQCJT-OAHLLOKOSA-N 304.459 4.048 0 40 DIAB Cc1ccc2nc(-c3ccc(N)cc3Br)oc2c1C 73639319 COQGRERSTDONMS-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB C/C=C/c1ccc(OCc2nc3c(C)cccc3[nH]2)c(OC)c1 76556295 LUWIHZSECCQXTE-GQCTYLIASA-N 308.381 4.492 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)c1ccnc2ccccc12 83309529 BYXMOQQCIYSBRW-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB Cc1c(Cl)cccc1[C@H](O)c1ccccc1Br 95730132 ZDMFTIUQJGVEQN-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB O[C@@H](c1ccc(Br)cc1)c1cc(F)cc(Cl)c1 95730300 QBIUIIYYAVDGEF-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Cc1cc(Cl)ccc1[C@H](O)c1ccc(Br)cc1 95730310 NGJINZFKROVBQJ-CQSZACIVSA-N 311.606 4.493 0 40 DIAB CC1(NC(=O)N(c2ccccc2)c2ccccc2)CCOCC1 97082840 QXPFQQNSCQBDQL-UHFFFAOYSA-N 310.397 4.103 0 40 DIAB O=C(c1cccs1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166253 IFEKIJINHCXTAS-HOTGVXAUSA-N 315.413 4.438 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 111942310 LGXUWDFMCDSESS-UHFFFAOYSA-N 323.417 4.463 0 40 DIAB Cc1ccc(CCC(=O)NCCSC2CCCCC2)cc1C 224564926 UFEIRVMUPYCIGG-UHFFFAOYSA-N 319.514 4.418 0 40 DIAB Cc1cc(O[C@H](Cc2c(C)cccc2C)C(=O)O)ccc1Cl 225031083 AHHNCPZZQFKJJV-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408554359 DKUMHHJCSNMKMX-INIZCTEOSA-N 319.813 4.127 0 40 DIAB C[C@@H]1CN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 573262606 OGBJAPFKGXEUJT-OAHLLOKOSA-N 302.377 4.241 0 40 DIAB CSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1 585148043 MSPIJNHCCPKSPU-UHFFFAOYSA-N 313.378 4.192 0 40 DIAB CCOc1cc2c(cc1OCC)[C@H]([C@@H]1CC=CCC1)NCC2 32784 NQOAKPOUJMMSCV-KUHUBIRLSA-N 301.430 4.027 0 40 DIAB O=C1NC(c2ccc(Cl)cc2)=C[C@H](c2ccc(Cl)cc2)N1 39206 PMMIRNBEUVGZSF-CQSZACIVSA-N 319.191 4.388 0 40 DIAB Cc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cs1 796209 RHMCYIDKLJXDDG-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB CSc1nc(Oc2ccc(F)cc2F)c2ccccc2n1 1392713 TZEWLHAWBVDCLF-UHFFFAOYSA-N 304.321 4.422 0 40 DIAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccccc1 1396702 BZGXDXRJJZKQDL-UHFFFAOYSA-N 311.715 4.259 0 40 DIAB C[C@H]1CCc2c(sc3ncn4c(-c5ccccc5)nnc4c23)C1 1939747 HKCPZTILWQZKJB-NSHDSACASA-N 320.421 4.131 0 40 DIAB Cc1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 2532721 IGRJUKZWIRXWAF-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 2631888 NBAVCUFVZQTFDS-UHFFFAOYSA-N 322.238 4.164 0 40 DIAB Cc1ccc(CONC(=O)c2ccc(Cl)cc2Cl)cc1 2798300 LUECIRSTMGGORP-UHFFFAOYSA-N 310.180 4.163 0 40 DIAB Cc1ccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)cc1 3133763 MQSVELGCRZRYNB-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB CCCSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 3310486 AWYRFGIRHQATHY-UHFFFAOYSA-N 324.453 4.394 0 40 DIAB CCOc1ccc(-c2nc(NC(=O)C3CCC3)sc2C)cc1 3560635 ZQKOPSQXHYYZPW-UHFFFAOYSA-N 316.426 4.256 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2Cl)c1 5474503 LFPGEMBUUMQUNT-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)CSc2ccccc2Cl)[C@@H]1C 5504474 CYUJHOQGXMZASB-BZPMIXESSA-N 311.878 4.373 0 40 DIAB Cc1cc2oc(=O)cc(COC(=O)C3CCC3)c2cc1C(C)C 5507433 DVTKFBCWHMGGDX-UHFFFAOYSA-N 314.381 4.068 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 6152099 LNKMWMQWEOVGTP-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB CC(=O)N[C@H](CC(=O)Nc1cccc(C(C)C)c1)c1ccccc1 8157798 OULOGDOLTQXBOL-LJQANCHMSA-N 324.424 4.016 0 40 DIAB O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cl)s1 8429601 BHAHPDSVBDRYQD-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB COc1cc(C=O)cc(Cl)c1OCc1cccc(Cl)c1 8470286 BRZNITXGYZSRTA-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CCCNC(=O)c1cccs1 8770056 OBSDWYNRFILXII-UHFFFAOYSA-N 316.401 4.040 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ncc(-c2ccc(F)cc2)o1 9321856 JZDVFCIZOZZYIR-GFCCVEGCSA-N 322.339 4.072 0 40 DIAB O=C(NOCc1ccccc1)c1ccccc1Oc1ccccc1 9855245 MCINRDBGRKNGSV-UHFFFAOYSA-N 319.360 4.341 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(OC)c1 11637144 KQBRAFUDDJVMBZ-GOSISDBHSA-N 313.397 4.108 0 40 DIAB O=C(CCc1ccccc1Cl)Nc1cccc2ncccc12 21331509 PQYXYEANBZXZPZ-UHFFFAOYSA-N 310.784 4.460 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(C2CC2)cs1 26049482 ZSUMVRHZUNVVRS-FPYGCLRLSA-N 304.802 4.326 0 40 DIAB c1ccc(-c2cnc(CSc3ncc4ccccn34)o2)cc1 26372510 XKOXUMTYXKTVNM-UHFFFAOYSA-N 307.378 4.282 0 40 DIAB FC(F)(F)c1cccc(CNc2ncnc3ccccc23)c1 31949010 XCTOWUSOSPJGIB-UHFFFAOYSA-N 303.287 4.261 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1)c1cccc(OC(F)F)c1 36394304 HQHNWHWTDFYVGA-CYBMUJFWSA-N 319.351 4.098 0 40 DIAB Cc1nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)sc1C 40012196 ZYXIKPWAWUHPDO-ZANVPECISA-N 304.415 4.048 0 40 DIAB Cc1cc(C)cc(NC(=O)N(C)CCCOc2ccccc2)c1 40097756 JCWLZJUPAKUEES-UHFFFAOYSA-N 312.413 4.236 0 40 DIAB CCc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1C(C)(C)C 40143301 KRAUROKKDNTGDM-UHFFFAOYSA-N 323.799 4.245 0 40 DIAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169367 CKDGOWUAGAVDGI-SFHVURJKSA-N 319.408 4.035 0 40 DIAB biogenic,in-vitro CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1 72215194 UZFOCZRKEFAVNH-ZFWWWQNUSA-N 319.449 4.046 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 78954118 XLNCYVIHCQOVSB-KCXAZCMYSA-N 318.465 4.266 0 40 DIAB Cc1ccc(-c2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)cc1 216603680 RKAGBCHTUWWMGA-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 216737893 QKKCGVZQFXHXLZ-UHFFFAOYSA-N 309.159 4.194 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COC 224683317 WCWQORXCXLGWLW-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CC(C)OC(=O)c1cc(N)ccc1NCCC1=CCCCC1 225456705 YUBZDEDQLFTVLV-UHFFFAOYSA-N 302.418 4.136 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1 225712707 JMVFRHZUAILXIF-BEFAXECRSA-N 319.445 4.399 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@@]12CCNc1ccccc12 521396107 YDHJCLRDTKNQRI-FQEVSTJZSA-N 322.408 4.130 0 40 DIAB CC(C)C[C@H](N)C1(c2ccc(F)cc2Br)CCC1 1772714922 NPCZAPWFXVVLIO-AWEZNQCLSA-N 314.242 4.383 0 40 DIAB Cc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 353643 JFVKAAFWFZKHPH-UHFFFAOYSA-N 323.175 4.342 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccccc2Br)c1 505918 MHFHWZFXXWKBJR-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1 3140754 AXVSSYLPALWSJN-UHFFFAOYSA-N 314.388 4.268 0 40 DIAB biogenic C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl 3221359 TUULCBKLXIJTJL-NSHDSACASA-N 323.770 4.369 0 40 DIAB Cc1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3236264 GTZCSPUZYHDYAW-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Fc1cc(NC(=S)N2CCc3ccccc32)ccc1Cl 3257447 OKOLJXFJJFTQLH-UHFFFAOYSA-N 306.793 4.239 0 40 DIAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 4740062 UHCVWMCBKDHGMR-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1 6004736 XOQYOZDMJTYGHL-CYBMUJFWSA-N 317.458 4.345 0 40 DIAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C)cc1 6539837 PDRICYVFNLDFFX-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB CCCc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 6832531 LLHYHYRSEDVRDL-UHFFFAOYSA-N 323.421 4.410 0 40 DIAB O=C(NC1CC1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 7910275 HEZKJNAFDYLYJG-MRXNPFEDSA-N 317.841 4.452 0 40 DIAB CC(C)c1ccc(CN(C)CC(=O)Nc2cccc(F)c2)cc1 8119474 YXMGAEIFLFINJH-UHFFFAOYSA-N 314.404 4.020 0 40 DIAB CC(=O)Nc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 9690209 PVIBAWOCUOKQCW-UHFFFAOYSA-N 316.788 4.168 0 40 DIAB CN(Cc1cccs1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12971703 FAFSZVVHKIOPTK-UHFFFAOYSA-N 324.449 4.380 0 40 DIAB Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)C(=O)O3 13227568 SSYQMQFAUBVZQN-UHFFFAOYSA-N 310.378 4.119 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc(Cl)cc1 13838904 DXAFPSPRAYQCHH-NSHDSACASA-N 302.830 4.488 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20137603 JEDYOMIPFSOBKM-UHFFFAOYSA-N 317.772 4.414 0 40 DIAB CC(C)c1nnc(NC(=O)c2csc3c2CC[C@H](C)C3)s1 25323389 KILBQRVVTYRAEY-VIFPVBQESA-N 321.471 4.100 0 40 DIAB C[C@H](NC(=O)CCCc1nc2ccccc2o1)c1ccccc1 31807507 PEKZKFYWZMGBII-AWEZNQCLSA-N 308.381 4.028 0 40 DIAB O=C(O)/C=C/c1c2ccccc2c(/C=C/C(=O)O)c2ccccc12 34424734 QGJNKGPCTYCXLD-WGDLNXRISA-N 318.328 4.189 0 40 DIAB Nc1ccc(-c2nc(-c3cc(Cl)ccc3Cl)no2)cc1 34797688 JSHKSUOUUMOVNN-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CCSc1ccccc1C(=O)NCC1(c2cccs2)CC1 38593008 IYSBYMBLCAFPDU-UHFFFAOYSA-N 317.479 4.322 0 40 DIAB Fc1ccc(-c2n[nH]cc2CNCC2(c3ccccc3)CC2)cc1 40091394 QGALDZUAHDRLCX-UHFFFAOYSA-N 321.399 4.037 0 40 DIAB Cc1nc2ccc(NC(=O)N3C[C@@H](C)C[C@H](C)C3)cc2s1 40103275 GQDKQKXECCVSMI-QWRGUYRKSA-N 303.431 4.115 0 40 DIAB CCOc1cccc(CNC(=O)c2cc(Cl)ccc2Cl)c1 48376413 ONPROVLIDFZVHJ-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB O=C(NCc1ccccc1Cl)[C@H](c1ccccc1)n1cccc1 49030906 AVPBYIJGRYENRA-SFHVURJKSA-N 324.811 4.047 0 40 DIAB Cc1occc1-c1nnc(Sc2nc3ccccc3s2)o1 57681852 OVXUTKZIADDDFT-UHFFFAOYSA-N 315.379 4.399 0 40 DIAB CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 66191616 ZUZPLNGGMBIEJJ-UHFFFAOYSA-N 323.223 4.458 0 40 DIAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)C1CCCC1 71884273 JIGOASABDCSMSN-MRXNPFEDSA-N 308.425 4.362 0 40 DIAB Cc1cc([C@H](O)c2ccccc2)cnc1OCc1ccccc1 72222387 UIWKRKSPGRSBDU-LJQANCHMSA-N 305.377 4.051 0 40 DIAB Cn1c([C@@H]2CCCN2c2nc3ccccc3o2)nc2ccccc21 75109634 IIHWMZMLELECCR-INIZCTEOSA-N 318.380 4.056 0 40 DIAB CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(COC)cc2)s1 93612446 MGVSDJHXFDPWCC-CQSZACIVSA-N 318.486 4.353 0 40 DIAB CCCn1cc(C(=O)N2CCn3cccc3[C@H]2C)c2ccccc21 95369515 NVOXEAAKWWBVHW-OAHLLOKOSA-N 321.424 4.070 0 40 DIAB Cc1nn(-c2nc3ccccc3s2)c(O)c1Cc1ccccc1 100129769 XGBYIUNVTNKRDX-UHFFFAOYSA-N 321.405 4.087 0 40 DIAB CC(=O)c1c(O)cc2c(c1O)[C@H]1C[C@@](C)(CCC1=C(C)C)O2 104191822 WJUHGQHJASTSSZ-KPZWWZAWSA-N 302.370 4.055 0 40 DIAB COC(=O)c1sc2c(Br)cccc2c1Cl 169808105 CSCUNAMZBSQSKT-UHFFFAOYSA-N 305.580 4.104 0 40 DIAB COc1ccc(C(=O)CCc2ccnc3ccccc23)cc1F 199732448 MYQSYXRKGHPUBY-UHFFFAOYSA-N 309.340 4.198 0 40 DIAB Cc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1 222634166 ZRPSMIQRGXEVPK-UHFFFAOYSA-N 302.805 4.403 0 40 DIAB CCc1nc2ccc(NC(=S)NCC(C)(C)C)cc2s1 225229246 CRRTUOAUHUONBJ-UHFFFAOYSA-N 307.488 4.191 0 40 DIAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225608082 FSWYKZHVZKINNO-GOSISDBHSA-N 307.434 4.172 0 40 DIAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225614437 HQARSPZZFKUTTE-UHFFFAOYSA-N 307.434 4.111 0 40 DIAB CCc1ccccc1NC(=O)c1snnc1-c1cccs1 225787880 LWKYDFBOGYINML-UHFFFAOYSA-N 315.423 4.081 0 40 DIAB CCc1nc2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc2n1C 225895373 DUBLGRJCAAWXBS-UHFFFAOYSA-N 321.424 4.029 0 40 DIAB CC[C@H](C(=O)OC)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C 260622360 SYTSKBQJFRYFAR-BXUZGUMPSA-N 309.837 4.384 0 40 DIAB O=C(O)/C=C/c1cn(Cc2cc(F)cc(F)c2)c2ccccc12 163612 FMNWUSCUVBOPPC-AATRIKPKSA-N 313.303 4.066 0 40 DIAB Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1C 385083 IICMSQFHNYHWHD-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1Cl 387310 JLNADXLMJAICFU-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1 1017209 FSTVWJNEDMCQQS-UHFFFAOYSA-N 308.333 4.163 0 40 DIAB Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1350491 KPKIKRYRORXOLN-QGZVFWFLSA-N 320.396 4.240 0 40 DIAB O=C(O)c1cccc(Cl)c1-c1c(Cl)cccc1C(=O)O 1600328 JPZVFWJNHIWLEB-UHFFFAOYSA-N 311.120 4.057 0 40 DIAB CC(C)Oc1ccc([C@@H](CC(=O)O)c2ccc(F)cc2)cc1 2450628 KHNCFOMWTLMZCW-KRWDZBQOSA-N 302.345 4.220 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1F 5126884 KQAZDTHRJQNNAA-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2 5268428 CRJXEPDBYPZCAZ-UHFFFAOYSA-N 305.352 4.259 0 40 DIAB Cc1cc([C@@H](O)c2ccccn2)c2cc(Cl)cc(Cl)c2n1 5552527 VZTZVUZOESWIOE-MRXNPFEDSA-N 319.191 4.327 0 40 DIAB COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OC 5745665 JJGZHIXWYVAFIV-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c(C)c1 6811377 SIDXTDSAJKNSCZ-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Brc1ccc(-c2csc(NC3CC3)n2)s1 7274394 KXICQRPRZYDVLI-UHFFFAOYSA-N 301.234 4.208 0 40 DIAB Cc1ccc(F)cc1NCC(=O)Nc1cccc(Cl)c1C 7972708 BMIPAPVUKFSHRU-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB c1csc(CNc2c(-c3cccs3)nc3cnccn23)c1 12113781 SXKSMNGFFDVSEG-UHFFFAOYSA-N 312.423 4.131 0 40 DIAB Clc1cc2nc(SCc3ccon3)oc2c2ncccc12 15083415 YUVAXIKUVMPOJW-UHFFFAOYSA-N 317.757 4.310 0 40 DIAB Cc1cccc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 15310113 UVLHJJBBKHXQLK-IBGZPJMESA-N 323.436 4.493 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1cccc(Br)c1 18114097 KTEROOMLDCLHLU-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 20105547 QHURIBMRCJZCOR-QGZVFWFLSA-N 311.425 4.038 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NC2CCCCCCC2)c1C 20110184 FGQXLIHWLQJNGZ-MRXNPFEDSA-N 303.446 4.300 0 40 DIAB OC1=Nc2n[nH]cc2[C@H](c2c(Cl)cccc2Cl)SC1 20730200 IEBWUYYIRJQACQ-LLVKDONJSA-N 314.197 4.141 0 40 DIAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccccc1 22072185 BVSNMKQCZKPAHB-UHFFFAOYSA-N 307.328 4.217 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c(C)c1 22141207 LMFIQUHIXOGCFD-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CC[C@@H](C)C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28218983 FALAHDXTTKYZQP-CQSZACIVSA-N 307.397 4.069 0 40 DIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1 31819439 JKSCHXIWZLKVQA-INIZCTEOSA-N 319.364 4.005 0 40 DIAB CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 41122856 JQQLGKXYJRILJK-RYUDHWBXSA-N 319.430 4.012 0 40 DIAB Cc1csc(N(C(=O)c2scnc2C)c2ccccc2)n1 43269383 GQJNHSXCSOCRGY-UHFFFAOYSA-N 315.423 4.195 0 40 DIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccsc2)C1 49546053 MFSAJBLVCPHFJE-CQSZACIVSA-N 309.394 4.117 0 40 DIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1Cc1ccccc1 72218909 UFAPISWVNBPNBB-FQEVSTJZSA-N 321.468 4.327 0 40 DIAB Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1Br 89064213 OZMZQAWTWPEOJS-UHFFFAOYSA-N 311.125 4.267 0 40 DIAB S=C(NC1CC1)N[C@H](c1ccccc1)c1cc2ccccc2o1 89827616 KLDVMNORUUGUIR-GOSISDBHSA-N 322.433 4.149 0 40 DIAB O=C(CCc1ccccc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 96230925 GGIJBHMLDLOWHW-LJQANCHMSA-N 318.420 4.294 0 40 DIAB Cc1csc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 211143830 SXUCOIRYNCCWHG-HNNXBMFYSA-N 317.479 4.377 0 40 DIAB COc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1 222661599 OQJLSOJFLHISQP-UHFFFAOYSA-N 319.404 4.097 0 40 DIAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1C 223114508 WBNDNWFSUBGJNE-KRWDZBQOSA-N 301.817 4.458 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C)cc1C 224606220 XGOBDBXHSGHBEI-SJORKVTESA-N 305.462 4.403 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225547688 ZAMYYPKCBYMDEC-UHFFFAOYSA-N 324.371 4.023 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225612931 AXCGQIVVSAJDPU-RDTXWAMCSA-N 307.434 4.316 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(C(=O)O)o1 226355891 GJVWEILSWWUEIV-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB CC(C)(C(=O)N1CCCc2occc2C1)c1ccccc1Cl 572204453 QWQNUAQLBPGHMJ-UHFFFAOYSA-N 317.816 4.186 0 40 DIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)C1CCCCC1 418044 FATQQRRRWWYSPG-UHFFFAOYSA-N 312.438 4.428 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2Br)cc1C 514155 KPIPEMUEASCIDI-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cccc3ccccc23)c(C)c1 572785 LDRAVVOTLZSHGQ-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccccc1F 2653882 ROQYWUKADKZVKM-UHFFFAOYSA-N 315.388 4.313 0 40 DIAB O=C(Cc1ccccc1OC(=O)c1ccccc1)c1ccccc1 3191719 FWBZHWLINCDIJZ-UHFFFAOYSA-N 316.356 4.331 0 40 DIAB Cc1ccc(C)c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 3499251 JQZSYTAMFJWYJP-LBPRGKRZSA-N 320.845 4.471 0 40 DIAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=S)N(c1ccc(Cl)cc1)N2 4811759 XKRBPEGOFCCSIK-BZNIZROVSA-N 323.893 4.082 0 40 DIAB S=C(NC1CCCCC1)SC(=S)NC1CCCCC1 5413289 VCOAOKCUORGUCX-UHFFFAOYSA-N 316.561 4.134 0 40 DIAB C=COCCCNc1ncnc2sc(-c3ccccc3)cc12 5937699 OSKHHWVHCRXCQO-UHFFFAOYSA-N 311.410 4.320 0 40 DIAB CCc1cc[n+](CC(=O)c2ccc(C3CCCCC3)cc2)cc1 7742312 RWVPYIIBWQUHQP-UHFFFAOYSA-N 308.445 4.467 0 40 DIAB C[C@@H]1CCc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 12516255 GZIKBHRCLOMFOG-MRXNPFEDSA-N 316.404 4.459 0 40 DIAB O=C(CCCOc1ccc(Cl)cc1)N1CCc2ccccc21 14397263 LXAIFWGFVVXMEM-UHFFFAOYSA-N 315.800 4.088 0 40 DIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccccc1 15019180 JFRYRKOCINDLKI-XNTDXEJSSA-N 313.353 4.062 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 20488417 FKTFDZLPSVHZEM-ZIAGYGMSSA-N 315.388 4.033 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1C 21700998 AIJUTBLARFARKA-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@@H](C)c3ccc(C)o3)c2c1 24685912 ZTPFOQDSGUFPCR-AWEZNQCLSA-N 310.397 4.106 0 40 DIAB CN(C)c1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 31205926 FKMZZYFGAMHBAK-UHFFFAOYSA-N 324.424 4.326 0 40 DIAB CN(Cc1ccccc1)C(=O)NCCCSc1ccccc1 32843791 MCPZRGXMBCSEAL-UHFFFAOYSA-N 314.454 4.010 0 40 DIAB CCc1nnsc1C(=O)Nc1ccc(Nc2ccccc2)cc1 32904339 LPDUPNLPEKEJJU-UHFFFAOYSA-N 324.409 4.096 0 40 DIAB Cc1ccsc1CNC(=O)N[C@@H](C)c1cc2ccccc2o1 40071100 UKCHIXISRKVMFL-LBPRGKRZSA-N 314.410 4.363 0 40 DIAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H]1c1ccccc1 45315516 XZZCXZDLIDNZGU-HXUWFJFHSA-N 318.420 4.383 0 40 DIAB CSc1cccc(NC(=S)Nc2cccc(C(C)=O)c2)c1 71761307 HHTHXYXGWMWCPR-UHFFFAOYSA-N 316.451 4.420 0 40 DIAB Cc1ccc([C@H]2C[C@H](c3ccc(C)cc3C)n3ncnc3N2)cc1 72332456 SRGVJYOKDWFXBV-RTBURBONSA-N 318.424 4.350 0 40 DIAB CCOc1cccc(C(=O)Nc2ccccc2SCC)c1 80345867 VHPPAYHQJJFEKI-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CCCc2ccccc21 113959534 XGBWFRVMRHVFCO-VQTJNVASSA-N 323.436 4.346 0 40 DIAB Cc1cc(C)c(-c2nn(Cc3ccccc3)c(N)c2C)c(C)c1 199749952 VPMQUYRBXVYFRC-UHFFFAOYSA-N 305.425 4.414 0 40 DIAB O=C(/C=C/c1ccco1)N1CCS[C@@H](c2cccs2)CC1 219462248 WJIFGNUQASNNSK-LLYBFZRZSA-N 319.451 4.061 0 40 DIAB COC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1C 409410476 XKPHCGNPDSPGMG-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB C[C@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccco1 575621467 OOHDHUJCMLANTE-MMQHEFTJSA-N 311.406 4.255 0 40 DIAB O=C(Cc1ccccc1)Oc1ccc(C2SCCS2)cc1 31537 ZVMGBZKTCBLRAA-UHFFFAOYSA-N 316.447 4.313 0 40 DIAB COC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 256817 YSSGSPKQILZUHE-UHFFFAOYSA-N 311.381 4.023 0 40 DIAB O=C(CCN1CCCCC1)Nc1ccc(C2CCCC2)cc1 347552 BSGLADLDJGGVCM-UHFFFAOYSA-N 300.446 4.159 0 40 DIAB COc1cc(-c2nc3ccccn3c2NC2CCCC2)ccc1O 417882 YCWFFAFEDFINSN-UHFFFAOYSA-N 323.396 4.070 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(C(C)=O)cc3)c(C)c2c1 3561737 QYJGLQQGYBIRAM-UHFFFAOYSA-N 323.348 4.205 0 40 DIAB O=C(NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 4151766 PMPJMDYELMLXEE-UHFFFAOYSA-N 317.388 4.196 0 40 DIAB biogenic C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccccc1 5111762 QRJDUINNJXAQBB-MRXNPFEDSA-N 319.404 4.266 0 40 DIAB COc1ccc(C(=O)Sc2nc3ccccc3s2)cc1 6457652 GBXTWSWHESYOEW-UHFFFAOYSA-N 301.392 4.237 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(C)c2C)c1C 7370195 LHXAVZWWSVOYGG-AWEZNQCLSA-N 312.413 4.134 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc2c(O)cccc12 7519916 LSAAWOVDWYGGFQ-DOMZBBRYSA-N 314.454 4.411 0 40 DIAB CSCCSc1nnc(Nc2cccc(C)c2C)s1 7743012 MTZHCWOSOYNPKP-UHFFFAOYSA-N 311.501 4.354 0 40 DIAB Fc1ccc(NC(=S)NCCSc2ccccc2)cc1F 7926330 XOZANIFUKIQAPQ-UHFFFAOYSA-N 324.421 4.044 0 40 DIAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc(F)c(F)c1 7967253 YLPFVGXMAVBWOU-UHFFFAOYSA-N 308.353 4.135 0 40 DIAB Cc1c(C(=O)NCc2cccs2)oc2c(Cl)cccc12 7989599 XZKOAZAVAZVMKN-UHFFFAOYSA-N 305.786 4.386 0 40 DIAB CCCCCCC(=O)Nc1ccccc1S[C@@H](C)C(=O)O 8732933 SVOXTHGBFRQQQE-LBPRGKRZSA-N 309.431 4.161 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1F 10997388 QUMYSNRKMHVMDZ-UHFFFAOYSA-N 323.367 4.096 0 40 DIAB Cc1c(C(=O)N(C)[C@H](C)Cc2ccccn2)oc2c(C)cccc12 12325416 JEMVIMHLCNFTGX-CQSZACIVSA-N 322.408 4.148 0 40 DIAB COc1cc(/C=C/C(=O)O)c(Cl)cc1OCc1ccccc1 12394622 NKRGLDPYVZYDBE-BQYQJAHWSA-N 318.756 4.025 0 40 DIAB CCCn1ccnc1S[C@H](C)C(=O)Nc1ccc(Cl)cc1 12578027 CEGZXHJQERJEJU-LLVKDONJSA-N 323.849 4.066 0 40 DIAB Brc1cccc(CNC2C3CC4CC(C3)CC2C4)c1 13895717 CGGZCBZEJXKYPM-UHFFFAOYSA-N 320.274 4.363 0 40 DIAB Cc1nc(=S)[nH]c(O)c1Oc1ccc(Cl)cc1Cl 17749915 VSEINIMIQIWYHB-UHFFFAOYSA-N 303.170 4.252 0 40 DIAB COc1ccc(OCc2coc(-c3ccccc3)n2)c(C(C)=O)c1 21220770 YIHDCNJPAYUDEU-UHFFFAOYSA-N 323.348 4.132 0 40 DIAB CCCCCCOC(=O)COc1ccc(Cl)c2cccnc12 28539644 PHEGCPHWVPQPPB-UHFFFAOYSA-N 321.804 4.391 0 40 DIAB CCn1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 32611564 MVSCLTKIGLBOAB-UHFFFAOYSA-N 318.591 4.116 0 40 DIAB O=C(NCCC1=CCCCC1)c1ccc(-c2cccnc2)cc1 33282196 JCAZPTRRKHANCV-UHFFFAOYSA-N 306.409 4.369 0 40 DIAB CCc1cc(Br)c2oc(-c3cccnc3)nc2c1 41569803 KBXWKISZLWLZFZ-UHFFFAOYSA-N 303.159 4.215 0 40 DIAB Cc1cccc2nc(CSc3ccc(C(F)(F)F)cn3)cn12 95349263 WGMMQUDLGGVMDL-UHFFFAOYSA-N 323.343 4.349 0 40 DIAB Cc1nc2ccccc2n1-c1ccc(Br)c(F)c1 95915954 VMVJQUFZDAZHNN-UHFFFAOYSA-N 305.150 4.236 0 40 DIAB Cc1ccccc1[C@H](NCc1nccn1C)C1CCC(C)CC1 95958895 UVAAQQSRCUAWEL-MKJPBZQASA-N 311.473 4.386 0 40 DIAB C[C@@H](C(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccs1 95961554 DVGUAYHSWVYBJY-BXUZGUMPSA-N 305.830 4.479 0 40 DIAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccc2F)c(C)c1 96137068 YTLBCCYPMJMVIP-CMDGGOBGSA-N 319.401 4.164 0 40 DIAB C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 118918611 NJVFRSJSXBLKOW-URNIPBEBSA-N 314.469 4.245 0 40 DIAB Cc1ccc(C)c(CC(=O)NCc2ccc3ccccc3c2)c1 222793932 UOEKHJJDDJGBCT-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB CC[C@H](NC(=O)COc1ccccc1)c1ccc2c(c1)CCCC2 223011029 NSCDZPXOZXKXBO-FQEVSTJZSA-N 323.436 4.212 0 40 DIAB O=C(CCc1ccccc1F)NCCCc1ccc(Cl)cc1 223294241 NJJXESCHDBRBNT-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@H](C)COc2ccc(C)c(C)c2)c1 223311586 NAGRAIWPUKXBEV-QGZVFWFLSA-N 311.425 4.118 0 40 DIAB O=C(CCSc1ccc(Cl)cc1)NCC1=CCCCC1 223417712 YSITZPNLBDRVMM-UHFFFAOYSA-N 309.862 4.439 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NC(C)(C)CC(C)(C)C 224433035 ZBGSOWQNWRNLMS-HNNXBMFYSA-N 305.462 4.483 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1C 225472987 DWCZCFOBYUJBHQ-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(Cl)c1 225474189 YUUZPEJONIBPIC-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225694412 USPOOYFISNSGBZ-GOSISDBHSA-N 307.434 4.236 0 40 DIAB Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225841252 IFPYKEPTZQOCMH-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(=C2CC2)CC1 238973380 ZPVFNNJYJXBLNH-UHFFFAOYSA-N 323.358 4.351 0 40 DIAB CCc1nn(C)cc1N[C@@H](CC)c1ccc(OC(F)F)cc1 538580318 ALNWIHNHXHDSBM-ZDUSSCGKSA-N 309.360 4.147 0 40 DIAB CCCCN1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 585100242 ISOAZBDCRREOMM-HXUWFJFHSA-N 320.521 4.214 0 40 DIAB CC(C)(C)c1cc(C(C)(C)C)c2oc(C(=O)O)cc(=O)c2c1 2134 CJTURQGHQPDNDA-UHFFFAOYSA-N 302.370 4.086 0 40 DIAB in-man CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 505765 GIYMCBKIPJOOBW-LBPRGKRZSA-N 319.351 4.496 0 40 DIAB CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCCN)cc1 1591272 OPCKIVCLTXGHRZ-PMACEKPBSA-N 313.441 4.417 0 40 DIAB CC(=O)OC1C[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 1719799 OBNUWEBINMHPGX-IHWFROFDSA-N 309.409 4.126 0 40 DIAB O=C(CCN1CCCCC1)C(c1ccccc1)c1ccccc1 1747996 FCFBSTQJUHPEID-UHFFFAOYSA-N 307.437 4.264 0 40 DIAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3N)c2c1 2135528 YNLFLEBJGOCIKC-UHFFFAOYSA-N 305.333 4.351 0 40 DIAB biogenic Cc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)c(C)n2)cc1C 2625460 FOZCUPGXGAICAI-HNNXBMFYSA-N 314.454 4.382 0 40 DIAB Cc1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 3065170 YRARPWRFIOVJIE-UHFFFAOYSA-N 306.148 4.102 0 40 DIAB C[C@@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1 3102849 CMPNBVXJURIQFO-INIZCTEOSA-N 303.405 4.302 0 40 DIAB Cc1cc(NC(=O)/C=C/c2cccs2)ccc1Br 3311017 QOIKWYPCJAWGPI-FNORWQNLSA-N 322.227 4.471 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)c(F)cc1Cl 3334588 OOTHJJUFEDUTEL-MRXNPFEDSA-N 321.754 4.426 0 40 DIAB O=C(CCSc1ccc(F)cc1)NCc1ccccc1Cl 3562274 DHYJUMHHRVOVGK-UHFFFAOYSA-N 323.820 4.278 0 40 DIAB Clc1ccc(CSc2ccc(-c3ccccn3)nn2)cc1 4358281 QIPHDQIQTBKYLF-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CCCCC[C@H]1O[C@@H]1C[C@H]1O[C@H]1CCCCCCCC(=O)O 4404042 LAIUZQCFIABNDP-YYIAUSFCSA-N 312.450 4.307 0 40 DIAB in-vitro CCSc1ccccc1C(=O)Nc1nnc(C(C)(C)C)s1 4704412 DNIBGVIPMQPRCN-UHFFFAOYSA-N 321.471 4.200 0 40 DIAB COc1ccc(CN(C)C(=S)Nc2cc(C)ccc2C)cc1 7581871 BNPZNMYIQKYVFW-UHFFFAOYSA-N 314.454 4.141 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cnc(Cl)c(Cl)c1 7767968 TZAFOGKZLOESJY-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB CCCNc1nc(-c2cc(C)n(-c3nccs3)c2C)cs1 7844138 RNQYFQGCNOIQGN-UHFFFAOYSA-N 318.471 4.496 0 40 DIAB Fc1ccccc1CSc1nc(-c2ccccc2F)n[nH]1 8515551 RLFDVPKZZDOWBX-UHFFFAOYSA-N 303.337 4.042 0 40 DIAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc2ccccc2o1 9497219 ZORDXRCIUBWSOT-ZDUSSCGKSA-N 318.376 4.334 0 40 DIAB Cc1ccc([C@@H](NC(=O)NCC(C)C)c2cccs2)cc1 12981110 ACWFUSZKHMFGRN-MRXNPFEDSA-N 302.443 4.101 0 40 DIAB O=C1c2cccc3cccc(c23)N1CCCOc1ccccc1 13001582 KKYMWYIQKYLWEV-UHFFFAOYSA-N 303.361 4.269 0 40 DIAB CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)cc1 14306005 XADLINZDTIJUOG-INIZCTEOSA-N 321.779 4.369 0 40 DIAB COc1cc(NC(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1 18172535 DYVDEUAKQWNDSB-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB CCc1nnc(SCc2ccc(Cl)cc2Cl)n1CC 20034269 GLSJQCSLFYQSEX-UHFFFAOYSA-N 316.257 4.460 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCCc2ccccc21 20110702 OTXGJHZVCFJCLA-IBGZPJMESA-N 323.436 4.440 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1csc2c1CCCC2 22007814 WROQDJKVDXHHEE-LLVKDONJSA-N 317.479 4.448 0 40 DIAB C[C@@]1(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1(Cl)Cl 22192101 RVMSTXNJZMBAOG-INIZCTEOSA-N 320.219 4.461 0 40 DIAB Cc1ccccc1NCCC(=O)Nc1ccccc1OC(F)F 24443100 ZVLYNSRVXGVGBO-UHFFFAOYSA-N 320.339 4.037 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCCSC1CCCC1 25245534 VWKAOGOURCFXCG-MDZDMXLPSA-N 309.862 4.145 0 40 DIAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccoc2C)c1C 27921964 COHSMANQHHMEAW-UHFFFAOYSA-N 323.396 4.010 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)c(C)c1 28219789 FMECSGCWOKJAND-UHFFFAOYSA-N 320.396 4.442 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]1c1cccs1 36621188 KIMALSFXGGAFMS-OAHLLOKOSA-N 324.405 4.380 0 40 DIAB CCC1(OC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)C2CC3CC(C2)CC1C3 72232655 WDKWRJUAIFFOII-ZVGHPCHMSA-N 300.442 4.347 0 40 DIAB CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2Cl)cc1 75138335 QOONDCFOBPNPMF-UHFFFAOYSA-N 317.776 4.251 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1cccc2cccnc12 78910524 FIPSGQUISUBJSN-UHFFFAOYSA-N 317.392 4.087 0 40 DIAB FC(F)(F)Oc1ccccc1[C@H]1C[C@H]1c1nc(C2CC2)no1 89813480 RAENOSSIBMQFMX-GHMZBOCLSA-N 310.275 4.117 0 40 DIAB Cc1nc(C(=O)O[C@H](C)c2nccs2)c(-c2ccccc2)o1 97136959 YJIDPQIPJUUOKU-SNVBAGLBSA-N 314.366 4.025 0 40 DIAB C[C@@H]1[C@@H](NC(=O)CSc2ccccc2Cl)CCC[C@H]1C 102183269 CYUJHOQGXMZASB-DYEKYZERSA-N 311.878 4.373 0 40 DIAB CC(C)(C)SCCNC(=O)COc1ccc(C(C)(C)C)cc1 113946343 YAABFEAUEOASFE-UHFFFAOYSA-N 323.502 4.011 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(C)cc2C(C)=CC1(C)C 223210880 YINRYDWHIPQMAQ-QGZVFWFLSA-N 301.430 4.195 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccccc1CC 224418329 AVBGSJMGGPNJBI-JKSUJKDBSA-N 305.462 4.349 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1C 225022430 RZKJPICKWOAPJA-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Nc1cccc(-c2ncc(-c3ccc(Br)cc3)o2)c1 226102989 SZWUFZGZCBEXBD-UHFFFAOYSA-N 315.170 4.353 0 40 DIAB CSc1cc(C(F)(F)F)cc(Cl)c1-n1nc(C)cc1N 255187483 DUPYWXDLUCLVEA-UHFFFAOYSA-N 321.755 4.157 0 40 DIAB CC[C@@H](C)NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 408912812 RNIBGJMMVJTHCA-WBFOAEISSA-N 309.409 4.151 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 31414 KHBMBTFVUHNFTA-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)s1 211223 BORYSYVEHHRTIQ-UHFFFAOYSA-N 322.861 4.159 0 40 DIAB CC[C@@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@](C)(O)CC1(C)C 501210 MUVVNQHRUQTFFH-SJKOYZFVSA-N 324.852 4.258 0 40 DIAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 1940048 RZZVMXMYALDQNO-LFYBBSHMSA-N 300.789 4.058 0 40 DIAB CCCCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 3131215 URWVAQNOBBOJBN-UHFFFAOYSA-N 324.424 4.249 0 40 DIAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)c2ccccc2n1 3411905 LEKHVWUJAZQJEM-UHFFFAOYSA-N 302.377 4.284 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3566767 CVABBRDDAONQAY-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB O=C(COC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1 4332586 NWBNLYCLLJNACC-UHFFFAOYSA-N 320.300 4.219 0 40 DIAB CN(C)c1ccccc1C(O)(c1ccccc1)c1ccccc1 4830810 JCPSIOYVWZSJIK-UHFFFAOYSA-N 303.405 4.037 0 40 DIAB C[C@H]1CCc2sc3ncnc(-n4cnc5ccccc54)c3c2C1 6235642 AWNPNWOMJIBXMM-NSHDSACASA-N 320.421 4.155 0 40 DIAB CCc1cccc(C)c1NC(=O)CNc1ccc(F)cc1Cl 7972572 FHOFMDCEHFVLQP-UHFFFAOYSA-N 320.795 4.401 0 40 DIAB Clc1cccc(-c2nnc(SCc3ccccn3)o2)c1 9112651 OGQMOFSMDXTCGP-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1OC 11637146 ARIWRIHDDVRBFZ-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CCCCCCOc1cccc(-c2nc(C(=O)O)cs2)c1 11887330 PHZQADCLMOBFKT-UHFFFAOYSA-N 305.399 4.467 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12672986 KYHBUFSRGTXJQT-DNVCBOLYSA-N 308.425 4.063 0 40 DIAB CC(=O)c1cn(CCN(C(C)C)C(C)C)c2c(Cl)nccc12 13997737 QKIHIPGNZKOAIF-UHFFFAOYSA-N 321.852 4.011 0 40 DIAB CC[C@@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 15941022 FROGGFONBYACJB-QGZVFWFLSA-N 308.425 4.419 0 40 DIAB CCCCCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 21524475 ZXHYRGIVZJFTCP-QGZVFWFLSA-N 313.445 4.300 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1 24050039 BOGBICBVOWYGPR-UHFFFAOYSA-N 319.408 4.467 0 40 DIAB O=C(c1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1 24383628 JOWSMZKGYKIOFS-CYBMUJFWSA-N 312.394 4.257 0 40 DIAB O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)c1ccccc1 26905890 IOCNLHFTIWBOHS-AZUAARDMSA-N 305.421 4.443 0 40 DIAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 32477337 GDZYEHIFIVZJFW-OAHLLOKOSA-N 319.408 4.068 0 40 DIAB CC(C)N(CC1CC1)C(=O)c1csc(-c2ccsc2)n1 32912885 DKKFIAXQJUQLNX-UHFFFAOYSA-N 306.456 4.132 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 32930805 XKGDYUVJSFHEOB-UHFFFAOYSA-N 319.364 4.084 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 36397027 JXKJTLPBHKVRTM-CHWSQXEVSA-N 318.367 4.395 0 40 DIAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 36625218 LDKMEOYDEDCZBM-GFCCVEGCSA-N 305.780 4.289 0 40 DIAB CC(C)N1C(=O)S/C(=C\Nc2cccc3ccccc23)C1=O 36636184 PAZIEPZMBRLCOI-GDNBJRDFSA-N 312.394 4.197 0 40 DIAB Nc1nc2c(Br)cc(-c3ccccc3)cc2s1 40542440 AUSMTXXTEVEODT-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)N(C)Cc1ccc(O)cc1 58175456 KQKQKDSGACYRRN-UHFFFAOYSA-N 312.413 4.488 0 40 DIAB Cc1ccc(C)c(-c2cc(C(=O)O)nn2-c2ccccc2C)c1 59472439 YZTQONFPXVXQSM-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB O=C(CCc1cccc(F)c1F)N1CCC[C@H]1c1ccsc1 69350004 NMYOFEHNLAYRJG-HNNXBMFYSA-N 321.392 4.323 0 40 DIAB Cn1cc([C@H]2CCC(=O)N2Cc2ccccc2)c2ccccc21 85430394 FLGXWSNZIPBUQV-LJQANCHMSA-N 304.393 4.042 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccccc1F 89212766 OXFRDJBUZBAQLL-ZDUSSCGKSA-N 308.397 4.027 0 40 DIAB O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F 89774655 LLDPMJZKMYPPMK-BXUZGUMPSA-N 322.742 4.296 0 40 DIAB O=[S@](Cc1ccc(-c2ccccc2)cc1)CC1CCOCC1 95439183 BWWFSPNOKSKFGJ-QFIPXVFZSA-N 314.450 4.029 0 40 DIAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2ccncc2)CCC1 101815046 GMQVAEPBORNVRN-SFHVURJKSA-N 316.364 4.103 0 40 DIAB CC1(C)CC2=Nc3nonc3N[C@@H](c3cccs3)C2=C(O)C1 102752368 IJBYEYDZUFCSNY-LBPRGKRZSA-N 316.386 4.003 0 40 DIAB CC(=O)c1csc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 106748019 DEMLKJNQGXYEDN-HNNXBMFYSA-N 317.385 4.067 0 40 DIAB CN(C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918556 ZSTQCIVAAMTXKR-OIFNNXFWSA-N 319.533 4.320 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 222867383 NLTNPNCKAXFZDC-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222981726 HIGVRAUHLWWOMF-HNNXBMFYSA-N 323.436 4.455 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1cccs1 223315953 QKPHQIKWBAKALP-HNNXBMFYSA-N 315.438 4.018 0 40 DIAB CCc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1 224139983 ATPXBTYKKJEPQJ-LBPRGKRZSA-N 317.816 4.402 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1cc(C)ccc1C 225053309 GEHHUXSOGJASEN-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225278193 PGAVMOGYGAHDAI-KONPQCLYSA-N 315.457 4.191 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2C)cc1 225773551 PDYHSNFZWHTWGV-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB O=C1c2ccccc2C(=O)N1c1cccc(SC(F)(F)F)c1 344694 ZHKBMUSBKBBGHI-UHFFFAOYSA-N 323.295 4.099 0 40 DIAB CC[C@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 355535 CNEIANKZNDCOBY-LBPRGKRZSA-N 308.381 4.332 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1ccc(C(F)(F)F)cc1 385434 FWFMCWGEVLALGK-UHFFFAOYSA-N 320.270 4.028 0 40 DIAB O=C(CC[C@H]1CCCCC1=O)c1ccc(Br)cc1 538411 IEEQNZBQNPIJCS-LLVKDONJSA-N 309.203 4.171 0 40 DIAB COc1ccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 818066 PVCXBLNOIDKVTR-HXUWFJFHSA-N 319.408 4.456 0 40 DIAB CCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 884875 CPMBLSFBUPSHGD-UHFFFAOYSA-N 300.745 4.497 0 40 DIAB O=C(NCCc1cccs1)c1ccc(Cl)c(Cl)c1 1431427 FYAHRWNNCHTIRH-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB CC[C@@H](C)NCCCCCNc1cc(OC)cc2cccnc12 1687518 QOKIJSHQBQJAKF-OAHLLOKOSA-N 315.461 4.214 0 40 DIAB OC(c1ccccc1)(c1ccccc1)[C@@H]1C[C@H]1c1ccncc1 1752005 KPUSUIKQQCFQCX-VQTJNVASSA-N 301.389 4.121 0 40 DIAB in-man CC(=O)c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 3550039 PLFCNMHXKAQOSG-DHZHZOJOSA-N 300.741 4.161 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 4811129 LUYZKGYQJBGNGT-MSOLQXFVSA-N 319.832 4.372 0 40 DIAB CCCCc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 5002728 FFYCAGUWXLQOMO-UHFFFAOYSA-N 311.381 4.068 0 40 DIAB O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1ccc(Cl)cc1 5066473 ZUAIXFPKIUQWRR-WMZOPIPTSA-N 310.784 4.457 0 40 DIAB Cc1ccc(Cl)c2c1N(Cc1ccc(Cl)cc1)C(=O)C2=O 6756470 YWALAJMSYQSVGB-UHFFFAOYSA-N 320.175 4.031 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(C)c(C)c2)c1C 7007491 UEXNAOMUNCUQNJ-UHFFFAOYSA-N 315.438 4.426 0 40 DIAB Cc1cc(C)cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 7735929 XUXQZTDERZXTDG-UHFFFAOYSA-N 315.722 4.186 0 40 DIAB CCOc1cc(CNC)ccc1OCc1ccc(Cl)cc1 8254503 VQCOORNCFZIPDC-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB CCOc1ccc(C(=S)NCc2ccccc2Cl)cc1 9188177 RGPRVIJUZOKAGR-UHFFFAOYSA-N 305.830 4.204 0 40 DIAB Cc1cc(C(=O)CN2CCCc3ccccc32)c(C)n1C1CC1 12545653 ZNZVUBLXGOWIJN-UHFFFAOYSA-N 308.425 4.075 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 12555399 FJXDURMNLJSLDJ-FUHWJXTLSA-N 308.425 4.130 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(F)ccc1F 12980140 FLQHVFDHZPBYKV-SECBINFHSA-N 311.715 4.024 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 13109235 ILQLITDRYFHAGM-DBVUQKKJSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro Cc1ccc([C@H]2C[C@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131641 QGEWRBICYGEBOT-QZTJIDSGSA-N 304.397 4.041 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(C)c1C 13997625 MGOZLHNHITXRFG-NSHDSACASA-N 319.836 4.360 0 40 DIAB Cc1csc(NC(=O)c2ccc(-c3ccccc3F)o2)n1 19163884 IIMSYJRWMSMELT-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1cccs1 23435172 UZCZZMODEFTARD-ZDUSSCGKSA-N 303.427 4.128 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1 25534211 IUQFACFCUWIZAR-LJQANCHMSA-N 322.383 4.213 0 40 DIAB c1ccc([C@@H]2CN(CCc3ccncc3)Cc3ccccc32)cc1 26098234 AYRLMVVXRWWAIJ-QFIPXVFZSA-N 314.432 4.272 0 40 DIAB CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc21 26281186 CYTZASCNUGMIJP-UHFFFAOYSA-N 300.793 4.089 0 40 DIAB O=C(N1CC[C@@H]2CCCC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 28896418 XRLSYGXRAVSIMK-ZBLKQVMWSA-N 301.474 4.242 0 40 DIAB Cc1cc([C@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)c(C)s1 31951384 BWQSQSVZBINHSQ-UFBFGSQYSA-N 306.258 4.126 0 40 DIAB COc1ccccc1Nc1c(-c2cccs2)nc2ncccn12 35616112 YGOACLBGCCPPFA-UHFFFAOYSA-N 322.393 4.210 0 40 DIAB CC(C)c1nnc(NC(=O)CCCc2ccc(Cl)cc2)s1 40141598 KDJGLNNYRLGFSO-UHFFFAOYSA-N 323.849 4.276 0 40 DIAB Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1C 44676316 KCLPJRVIAAZFFV-UHFFFAOYSA-N 309.291 4.361 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 48230442 AWEGSVQLMQFKNE-JTQLQIEISA-N 320.742 4.455 0 40 DIAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)cs2)o1 48264575 GIVMLTZQKVCWGS-OAHLLOKOSA-N 313.426 4.377 0 40 DIAB Cc1ccn(-c2cccc(C(=O)Nc3cccc(C)c3C)c2)n1 48310375 MWSXPBVPDIHMSI-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3cccc4ccccc34)n2c1 71459275 KJDFUKSYAXQNQA-UHFFFAOYSA-N 315.376 4.357 0 40 DIAB CCc1cc(Br)c2oc(-c3ccc(N)cc3)nc2c1 73639070 OGNBBMRTBZLTTA-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB COC(=O)c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1 95728713 HOGDZFXSLADXNO-UHFFFAOYSA-N 309.148 4.011 0 40 DIAB CCc1ccc([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)o1 97017325 DBYPQKSIMLTRTN-STQMWFEESA-N 311.385 4.304 0 40 DIAB C[C@@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 97232232 BDSKOPPRTWYZLV-GFCCVEGCSA-N 300.383 4.488 0 40 DIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cccc2ccccc12 100189143 SHQYWKYPVMUKHC-DYESRHJHSA-N 315.420 4.200 0 40 DIAB O=C1Nc2ccccc2S/C1=C/Nc1ccccc1Cl 100392079 AJMWBLORADWGCJ-NTEUORMPSA-N 302.786 4.338 0 40 DIAB C[C@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)C1 105581188 HXDXSJLQUOXYKA-DLBZAZTESA-N 312.457 4.213 0 40 DIAB O=S=NC(c1ccccc1)(c1ccccc1)c1ccccc1 169535479 SGKWDUCXQUBHGX-UHFFFAOYSA-N 305.402 4.375 0 40 DIAB CCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1 222880079 QMHWPQGYELGSNC-UHFFFAOYSA-N 305.377 4.169 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)CCCC2 222901129 ISWJQGRIYKCCGT-WSYSLRRZSA-N 305.421 4.456 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCC1=CCCCC1 224420813 GGECGNLPPURJKX-HNNXBMFYSA-N 301.430 4.194 0 40 DIAB CCOc1ccc(C(=O)O)cc1CSc1ccc(C)cc1 224658599 LZQUXFKKZBVOEL-UHFFFAOYSA-N 302.395 4.384 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCCCC1 225686989 BXSGOPAKSDSMEC-LJQANCHMSA-N 315.457 4.125 0 40 DIAB Cc1ccc(NC(=O)c2snnc2-c2cccs2)c(C)c1 225787679 HWABBJCNOXJWID-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB Cc1ccc(C)c(C(=O)NCc2ccc(-c3ccoc3)cc2)c1 390832333 YSJXDPNBZQLSGF-UHFFFAOYSA-N 305.377 4.493 0 40 DIAB Oc1nc2cccc(Br)c2c(O)c1-c1ccccc1 685937204 MYOMDCSWHPFAHE-UHFFFAOYSA-N 316.154 4.076 0 40 DIAB CC(C)(C)Oc1ncc(-c2ccccc2)c(OC(C)(C)C)n1 481019 RCOWWKAUGGUMCZ-UHFFFAOYSA-N 300.402 4.498 0 40 DIAB Oc1csc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1 1395292 OUJBAESIZBFXKH-UHFFFAOYSA-N 308.815 4.216 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCCCC2)c1 3443368 CTNIMUZMTQZGSE-FQEVSTJZSA-N 322.452 4.469 0 40 DIAB Cc1ccc(Cn2cc(/C=C/C(=O)O)c(-c3ccccc3)n2)cc1 4205602 FFHXTJJVOADTNT-VAWYXSNFSA-N 318.376 4.005 0 40 DIAB in-vitro CSc1ccc2nc(NC(=O)c3ccccc3)sc2c1 5299078 NWPOBXMIDVYKIF-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB COc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1 5323488 FVFNSJYOAGCPBU-UHFFFAOYSA-N 318.380 4.077 0 40 DIAB CC(=O)c1sc(Nc2cccc(Br)c2)nc1C 7321774 PVXFMLDIXFWVDS-UHFFFAOYSA-N 311.204 4.160 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C 8238052 LDXSTZBXZBIPCD-HNNXBMFYSA-N 323.392 4.306 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1cccnc1 8346264 WOCJJQHOPPOAIE-OAHLLOKOSA-N 318.376 4.365 0 40 DIAB Cc1nc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl 10372759 KONAEBKTQSBHLL-UHFFFAOYSA-N 314.816 4.494 0 40 DIAB Fc1cccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)c1F 12234083 RYAFKNKRHGIZSS-MRXNPFEDSA-N 313.351 4.178 0 40 DIAB CN(C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12659212 ZSTQCIVAAMTXKR-YQYWIAHVSA-N 319.533 4.320 0 40 DIAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cccs1 12753928 JLYSLBHNXBXHOA-MNOVXSKESA-N 309.818 4.046 0 40 DIAB CCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12913754 ATBSGJZAXRNDBX-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB CSc1ccc(Cl)c(C(=O)N[C@@H]2CCc3ccccc32)c1 12946476 FCORUYWTIROMRN-MRXNPFEDSA-N 317.841 4.479 0 40 DIAB COc1cccc(CN(C)C(=S)Nc2ccc(C)c(C)c2)c1 13660977 XNVPOMCXQALTFU-UHFFFAOYSA-N 314.454 4.141 0 40 DIAB Cc1cccc(/C=C/C(=O)Nc2ccccc2Br)c1 15349906 YEVYJHOJCJFBAI-MDZDMXLPSA-N 316.198 4.409 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 15471797 UQVLNHBSTLXKSY-CNELAYHGSA-N 315.800 4.239 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OCC 15592090 HDEVYWPYUTYSID-UHFFFAOYSA-N 317.360 4.184 0 40 DIAB CCCCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20136590 BRYVYBZJDAWDLV-UHFFFAOYSA-N 307.777 4.221 0 40 DIAB CC(C)C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 24992276 AFEOYCAGNOPJPQ-SFHVURJKSA-N 321.424 4.009 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1F 25298912 NRBKIFKQLBNKSD-NSHDSACASA-N 323.314 4.227 0 40 DIAB C/C=C/C=C/C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25896625 ZOFIFQKRFUKTDW-JVOHGSMZSA-N 309.434 4.355 0 40 DIAB CCC(C)(C)C1CCC(NC(=O)c2ccc[nH]c2=S)CC1 26042284 UQMCHRCGGUCYHE-UHFFFAOYSA-N 306.475 4.469 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1cccc(C)c1C 28744267 YSKOYLQNTJFEJV-OAHLLOKOSA-N 312.413 4.141 0 40 DIAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 32754785 LEDMNHFLGRCNEW-UHFFFAOYSA-N 320.396 4.033 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)CN(Cc1cccs1)C1CC1 37176492 RYIHSDAYMBASDR-UHFFFAOYSA-N 324.449 4.385 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)NCCSC2CCCC2)cc1 40086458 RXMPSDIWPHSIEW-CQSZACIVSA-N 320.502 4.285 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(F)ccc1F 51354428 AIMZICCTKDNMRZ-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB FC(F)(F)COc1ccccc1Oc1cnc2ccccc2n1 57839648 YFXCXTQDWXAWJC-UHFFFAOYSA-N 320.270 4.363 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N(C)C)c(C)c2)C1(C)C 58406874 KORLCIVXVZRRHX-RDJZCZTQSA-N 300.446 4.238 0 40 DIAB Cc1nc(SCC(=O)c2ccc(OC(C)C)cc2)oc1C 71850183 AGAHTYDJTQGOBO-UHFFFAOYSA-N 305.399 4.054 0 40 DIAB CCO[C@H](C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1 76697332 HUOHYFPYSLRLNA-LLVKDONJSA-N 319.455 4.214 0 40 DIAB FC(F)(F)c1ccc(Br)c(CN2CCCCC2)c1 90413530 KFNWEIPOFYZEMJ-UHFFFAOYSA-N 322.168 4.454 0 40 DIAB C[C@@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccsc1 90668037 XIZNDGOJCJZKHV-HUUCEWRRSA-N 315.486 4.019 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 95348912 RDPOCEBXWDJZEX-UHFFFAOYSA-N 317.392 4.310 0 40 DIAB CCc1nc(N[C@@H](CC)c2nccs2)c2ccsc2n1 95975944 WCLJZLPNHNYGMA-JTQLQIEISA-N 304.444 4.273 0 40 DIAB C[C@H](c1cccs1)N(C)C(=O)C[C@H]1CCOc2ccccc21 96410042 VIFYZMAFIJXSBD-ZIAGYGMSSA-N 315.438 4.224 0 40 DIAB Cc1nn(-c2ccc(F)cc2)c(O)c1Cc1cccc(Cl)c1 100072253 NQCSHNYMWVMZOH-UHFFFAOYSA-N 316.763 4.270 0 40 DIAB Cc1cc2nn(-c3ccc(Oc4ccccc4)cc3)nc2cc1N 216765544 CFKGBWWWVUNDPY-UHFFFAOYSA-N 316.364 4.103 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225728025 RJYOUBYQFSLFSC-CQSZACIVSA-N 307.434 4.316 0 40 DIAB Nc1nc2c(Cl)cc(NC(=O)C3CCCCC3)cc2s1 226312586 QSWABYBMXGFUJO-UHFFFAOYSA-N 309.822 4.051 0 40 DIAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2)c1 226356574 PRORMQRSRWKMOH-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB CC(=O)c1cn([C@H](C)C(=O)Nc2ccccc2)c2ccccc12 409198806 FOAMQUUPAABLPM-CYBMUJFWSA-N 306.365 4.044 0 40 DIAB COc1ccc(C(F)(F)F)cc1C(=O)Cc1cccs1 575361209 UZHAFXSRDJHZPF-UHFFFAOYSA-N 300.301 4.201 0 40 DIAB Clc1cc2ccc(I)cc2c(Cl)n1 575442708 KMNZRWSRRAYMBD-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB CCOCc1cccc(N[C@H]2CCc3c2ccc(OC)c3F)c1 585083682 IQBJVIFSYYHRKY-KRWDZBQOSA-N 315.388 4.470 0 40 DIAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1Cl 41134 VXBRSDFETOOMOF-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 74343 KFJASEXBKKIZPU-UHFFFAOYSA-N 321.771 4.213 0 40 DIAB biogenic Cc1cc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 429831 WYQGSGBVDCILPN-UHFFFAOYSA-N 313.788 4.451 0 40 DIAB CCn1c2ccccc2c2cc(CNC[C@H]3CCCO3)ccc21 810259 XBUPRSWJADEZNF-MRXNPFEDSA-N 308.425 4.083 0 40 DIAB CCc1ccc2c(c1)c1nc(C)sc1n2CCN(CC)CC 2242194 VBQTYHDWMNRWKO-UHFFFAOYSA-N 315.486 4.464 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3479041 CQPUIOXYTJRAKN-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1cccc(-c2cnc(NCc3cccc(C)c3)n2C)c1 4678423 SADNQEJJMUPAGR-UHFFFAOYSA-N 307.397 4.016 0 40 DIAB Fc1ccc(COc2cccc(C(=S)N3CCCC3)c2)cc1 5860544 MSFGNDXTFOWPAC-UHFFFAOYSA-N 315.413 4.176 0 40 DIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccc(Cl)cc1 6175703 GNROCHHGHQXURX-GFCCVEGCSA-N 317.791 4.390 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)cc1C 7595722 KNNAXBQSXIKKNA-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CCC2 7655439 GXTMEDRJKCLHKG-UHFFFAOYSA-N 307.802 4.151 0 40 DIAB Cc1cccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c1 7914649 CFXPWNGFCOTLGO-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1OC 7973275 XQQNYRJXALQGMX-UHFFFAOYSA-N 311.337 4.092 0 40 DIAB CC(C)C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1nc2ccccc2[nH]1 9315936 FPSOVQGFMLNYIX-RHSMWYFYSA-N 311.429 4.123 0 40 DIAB COc1ccccc1CCC(=O)Oc1cccc2ccccc12 12909091 WBRLNDBLMUEHOT-UHFFFAOYSA-N 306.361 4.387 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 15541937 LINRBBMXQXWWGA-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 20042103 BIMSHYSVGOWWDJ-KRWDZBQOSA-N 323.436 4.359 0 40 DIAB Cc1nc2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2s1 20427099 WJINXZWHWDNQOL-GFCCVEGCSA-N 315.225 4.127 0 40 DIAB Cc1cccc(COc2cccc(C(=O)Nc3cccnc3)c2)c1 27578156 LHWRBOYHOUOPMA-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Nc1nc2c(s1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(O)=N2 32092401 KJHPYWDFDJMLBZ-ZCFIWIBFSA-N 314.197 4.156 0 40 DIAB Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2occc21 36359017 JCZIVVITXZKFBB-UHFFFAOYSA-N 309.152 4.330 0 40 DIAB Cc1ccc(-c2nnc([C@H](C)Nc3cc(F)cc(F)c3)o2)cc1 40018020 PSCRCQVAQOEIAP-NSHDSACASA-N 315.323 4.496 0 40 DIAB c1ccc(COc2ccc(OCCC3CCNCC3)cc2)cc1 42773024 KSLGESQTLSWSAA-UHFFFAOYSA-N 311.425 4.034 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C)n[nH]2)cc1 44837883 ZUCURJHOVRGYMN-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB O=C(NCCc1ccsc1)c1ccccc1SC(F)F 46242949 KGWNJRWZTCEJAB-UHFFFAOYSA-N 313.394 4.035 0 40 DIAB Cc1ccc(SCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 48325203 BZHYDRGDYZHECR-GOSISDBHSA-N 311.450 4.451 0 40 DIAB CCCn1c(SCCc2ccccc2)nc2ccccc2c1=O 67258664 NQEBBMBMGJZFMM-UHFFFAOYSA-N 324.449 4.141 0 40 DIAB CSc1cccc(NC(=S)Nc2cc(F)cc(F)c2)c1 71760975 YISLZGQPZGWVGV-UHFFFAOYSA-N 310.394 4.496 0 40 DIAB CCN(C(=O)c1cccc(Br)c1C)c1ccccc1 75402867 BPZKUMKQTSQIDJ-UHFFFAOYSA-N 318.214 4.424 0 40 DIAB COc1ccc(C(=O)NCC23CCC4C[C@@H](C[C@H](C4)C2)C3)cc1 100913808 DJQLABPNIOEGHE-FZTQNYJHSA-N 313.441 4.032 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nsnc2c1 108024917 DBMOSZJPMKHZGH-UHFFFAOYSA-N 322.503 4.193 0 40 DIAB CCC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224218037 HYBYHRIJMIZUDI-RDTXWAMCSA-N 303.446 4.028 0 40 DIAB C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 225354641 NAIYWXDWQXEEKB-LLVKDONJSA-N 300.229 4.185 0 40 DIAB CCCNC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)c(N)c1 225426908 YBOULYYIAQSDCM-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB CC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225603890 NXVDIJXTHSIVLT-SFHVURJKSA-N 305.418 4.070 0 40 DIAB COc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1C(C)C 225657175 RLDONGTYUJVAEQ-JJRVBVJISA-N 301.430 4.045 0 40 DIAB COc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794064 ZLBFVURIHPNMFS-IBGZPJMESA-N 315.413 4.238 0 40 DIAB Cc1cccc2cc(C(=O)N[C@@H](C)CCc3ccccc3)oc12 226044387 CPROLBVFNADOEZ-HNNXBMFYSA-N 307.393 4.492 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226265937 WUDADWPTCWIMIQ-UHFFFAOYSA-N 323.440 4.074 0 40 DIAB COc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)c(OC)c1 226291246 COWRINQOYPQOKT-OAQYLSRUSA-N 320.388 4.453 0 40 DIAB CCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226352733 MKAMIPWMHUAEDZ-UHFFFAOYSA-N 301.342 4.082 0 40 DIAB Cc1ccc(C)c(-n2ncc(N[C@H](C)c3cscn3)c2C)c1 540918254 GDDWSCYSAVMYGS-CYBMUJFWSA-N 312.442 4.427 0 40 DIAB COc1ccccc1OCc1nnc(/C=C(\C)C(C)(C)C)o1 584908545 ZJNOAUBKKARVLH-ZRDIBKRKSA-N 302.374 4.107 0 40 DIAB Cc1ccccc1CSc1nnc(-c2cccs2)n1C 41934 VJTNNIOWMBZUGK-UHFFFAOYSA-N 301.440 4.144 0 40 DIAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1C 427402 YGHKIHYCDBXLJQ-HNAYVOBHSA-N 308.381 4.073 0 40 DIAB Cc1cccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 1028187 XDGNYSVGDVPUDX-WJDWOHSUSA-N 324.405 4.101 0 40 DIAB CCN(CC)CCCNc1c2c(nc3ccccc13)CCCC2 1689837 YJYRZBZPJOXSJG-UHFFFAOYSA-N 311.473 4.257 0 40 DIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)c(F)c1 2514572 BJBBTODQXQAHCM-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1c(Cl)c(C)c(Br)c(O)c1Br 5212000 JVJYURWOPAQMPX-UHFFFAOYSA-N 314.404 4.187 0 40 DIAB CC(C)c1cccc(Oc2nc3ccccc3n3cnnc23)c1 5426506 RLPDEJFIPMQFRA-UHFFFAOYSA-N 304.353 4.193 0 40 DIAB CC(=O)c1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 5677912 MSNFEOYTPMFHLO-LLVKDONJSA-N 313.422 4.328 0 40 DIAB Fc1ccc(COc2ccccc2CNCc2ccco2)cc1 7523626 AXNQYPYSPBKANZ-UHFFFAOYSA-N 311.356 4.288 0 40 DIAB CCCCNc1nc(-c2ccc(NC(=O)CC)cc2)cs1 7844071 NHLUWDOIZFWWCW-UHFFFAOYSA-N 303.431 4.371 0 40 DIAB C[C@H](NC(=O)c1ccc(F)cc1F)c1cc2ccccc2o1 8062427 DOLQSZNSXHTHEX-JTQLQIEISA-N 301.292 4.202 0 40 DIAB Cc1nc2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2o1 8184228 VNERAAGKDZAHBJ-UHFFFAOYSA-N 318.735 4.110 0 40 DIAB CCCCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)O)o2)c1 8729566 JTNLNDIEHIEDHM-CSKARUKUSA-N 314.337 4.001 0 40 DIAB Cc1c(Cl)cccc1NCc1cc2cccc(C)c2[nH]c1=O 12492343 SAUXGCFJPBDKKO-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB COc1ccc2nc(SCCOc3cccc(C)c3)[nH]c2c1 15042596 FFPCBJMLGGGRKI-UHFFFAOYSA-N 314.410 4.051 0 40 DIAB CC[C@@H](C)c1ccc(NC(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 16345518 SBAVNJRBLYVRCF-RDBSUJKOSA-N 306.475 4.006 0 40 DIAB CCc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19523479 GBYOZGRWZPBBCJ-ZFMNYDKASA-N 321.468 4.101 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1 20029748 CQIWQRGCQUUDQF-SNVBAGLBSA-N 307.365 4.178 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 20038180 MAVOLSAFKPAWDH-OAHLLOKOSA-N 311.425 4.398 0 40 DIAB O=C(O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1 26421264 KALRASIJYKQEGK-UHFFFAOYSA-N 317.391 4.394 0 40 DIAB CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1 28013768 HONWSOMUSNJEDI-UHFFFAOYSA-N 310.378 4.049 0 40 DIAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccccc1 30871322 NQKLQWWXGQBWMX-QGZVFWFLSA-N 317.429 4.326 0 40 DIAB CCCCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 36613483 BDPFVIMTWXKGQT-UHFFFAOYSA-N 301.337 4.436 0 40 DIAB CC(C)c1noc([C@H]2CCCN2Cc2ccccc2Cl)n1 67350708 PQZPOWQUZVXEFC-CQSZACIVSA-N 305.809 4.184 0 40 DIAB CC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1 67801305 CKWJIFNNVRMXFW-UHFFFAOYSA-N 314.223 4.209 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1Cl 69476289 DQIQRUXKVRJLNA-UONOGXRCSA-N 317.816 4.293 0 40 DIAB CC(C)Oc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72211988 LKDIXGXGUQSVAU-OAHLLOKOSA-N 320.433 4.331 0 40 DIAB C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl 75107188 ILMOLADZJLPHSM-JSGCOSHPSA-N 317.791 4.497 0 40 DIAB CCc1onc(C)c1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 89443483 ROVFJNAREDYSMD-LBPRGKRZSA-N 301.390 4.045 0 40 DIAB FC(F)(F)c1c(Br)cccc1NN1CCCCC1 95081571 SQZZZMWNOITPHA-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB COc1ccc([C@H](C)[C@H](C)NC2CC(C)(C)NC(C)(C)C2)cc1 97016417 BJXOPMOBERCBCH-CABCVRRESA-N 318.505 4.086 0 40 DIAB Sc1nnc(-c2ccccc2)n1-c1cccc2ccccc12 168084009 BRBZXEXRYQNGOD-UHFFFAOYSA-N 303.390 4.376 0 40 DIAB O=C(O)[C@H](Cc1ccc(F)cc1)Sc1ccc(Cl)cc1 225055150 UTCBSOZODAJYOG-AWEZNQCLSA-N 310.777 4.267 0 40 DIAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCC1 225706126 AXLCDUSZTIPIAI-CQSZACIVSA-N 305.418 4.152 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1Cl 226275802 ZQPCEOPFDLHPPC-VIFPVBQESA-N 320.742 4.220 0 40 DIAB C[C@@H](Cc1ccc(O)cc1)N[C@H]1CCCc2c1[nH]c1ccccc21 564144481 SDVZTRRLDBYRNX-XOBRGWDASA-N 320.436 4.472 0 40 DIAB CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O 1179 UGOFYAXVVVXMQT-UHFFFAOYSA-N 304.773 4.387 0 40 DIAB in-man FC(F)(F)Oc1ccc(-n2cccc2)c(Br)c1 165467 ZZIRXJAMGNTMSC-UHFFFAOYSA-N 306.081 4.138 0 40 DIAB c1cc2c3c(cccc3c1)-c1nc3c(ccc4nsnc43)nc1-2 338449 GJURQQCCHLIBNH-UHFFFAOYSA-N 312.357 4.435 0 40 DIAB O=C(Nc1ccccc1O)C(c1ccccc1)c1ccccc1 1098906 PTLXLLWBKWHWEJ-UHFFFAOYSA-N 303.361 4.163 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 1284135 XUJSJIGGHAYHPX-UHFFFAOYSA-N 311.381 4.239 0 40 DIAB Cc1ccc(C)n1N(C)c1ncc(C(F)(F)F)cc1Cl 1395342 UXOZIQBUSZLGNX-UHFFFAOYSA-N 303.715 4.072 0 40 DIAB CC1(C)COC(CCCCC(=O)c2cc(F)cc(F)c2)OC1 2518088 HEYVIMUNUXVRDS-UHFFFAOYSA-N 312.356 4.107 0 40 DIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1 3314846 QGVPHWMENUKFSI-CQSZACIVSA-N 317.816 4.017 0 40 DIAB Cc1ccc(C)c(C(=O)OCC(=O)c2ccc(Cl)s2)c1 3327823 FLHRITIBGHRYLE-UHFFFAOYSA-N 308.786 4.058 0 40 DIAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1 4525648 AKWJJXNUHUZOCZ-OCIHQYEZSA-N 324.449 4.068 0 40 DIAB OC[C@H](O)COCCCCCCCCCCC[C@@H]1C=CCC1 5600229 NRDAUYPIWGKTAJ-MOPGFXCFSA-N 312.494 4.223 0 40 DIAB CC(C)c1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2[nH]1 5817471 XRKAGUDTKPCCOD-UHFFFAOYSA-N 320.348 4.165 0 40 DIAB biogenic CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Cl)c1 6789745 DIWAHZIAXYOPCA-UHFFFAOYSA-N 316.813 4.222 0 40 DIAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c(C)o1 9497927 HVAUEGPKSBGSQN-UHFFFAOYSA-N 324.380 4.057 0 40 DIAB COc1ccc2nc(SCc3cccc4cccnc34)[nH]c2c1 10619445 SAAUDHIWHQXBHM-UHFFFAOYSA-N 321.405 4.412 0 40 DIAB CC(C)(C)C(=O)Oc1ccc2c(Cc3ccccc3)noc2c1 11854104 KGXRUPNJBZRKLT-UHFFFAOYSA-N 309.365 4.370 0 40 DIAB O=C(Nc1cccnc1)c1ccccc1OCc1ccc(F)cc1 12749073 WRCODUCHGYLWHQ-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)Nc1ncccc1C 13326391 YKAWBDLAXRWGJY-CQSZACIVSA-N 318.804 4.148 0 40 DIAB Cc1ccc(SCC(=O)NCCCc2cccc(C)c2)cc1 13675710 RCBMLGCSEBWMLG-UHFFFAOYSA-N 313.466 4.145 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 15648625 GEDFOEGWMCCUOF-CQSZACIVSA-N 315.388 4.205 0 40 DIAB CC(C)C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 24992273 AFEOYCAGNOPJPQ-GOSISDBHSA-N 321.424 4.009 0 40 DIAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2ncc3ccccn23)c1 26371985 RLQVRFGPYYGSRX-AWEZNQCLSA-N 310.422 4.315 0 40 DIAB O=C(Nc1ccccc1)N(Cc1ccccc1F)c1ccccn1 27991616 QPGRWLVCJSYJHN-UHFFFAOYSA-N 321.355 4.459 0 40 DIAB O[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 31719414 BVEXGQHOBZRFGZ-NJDFBWEVSA-N 307.437 4.478 0 40 DIAB OCc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 37715712 UOXMOAHBHKCICI-UHFFFAOYSA-N 321.092 4.220 0 40 DIAB CCCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 38139203 FLANVFIOIKKJMA-UHFFFAOYSA-N 321.424 4.157 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1csc(-n2cccc2)n1 38490409 YPAUHCGPIQCMJU-UHFFFAOYSA-N 317.801 4.148 0 40 DIAB CCc1cccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)c1 40098811 RJGVKEVWLSHYEP-UHFFFAOYSA-N 304.340 4.191 0 40 DIAB Cc1c(-c2ccccc2)sc2[nH]c(-c3ccccn3)nc(=O)c12 46703644 FMMGEWSZPJRKAN-UHFFFAOYSA-N 319.389 4.022 0 40 DIAB Cc1nc(N2CCc3ccccc32)ccc1[C@@H](O)c1ccccc1 72224990 XHLWNWTZOQKZOY-NRFANRHFSA-N 316.404 4.166 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCC[C@@H]1c1nccs1 72285800 ZFZQNLBUWBBOQG-BZUAXINKSA-N 312.438 4.000 0 40 DIAB Cc1c(C(=O)N[C@H](C)CCCC(C)C)c(=O)oc2ccccc12 75105325 AOJDUVYPLUNWRE-CYBMUJFWSA-N 315.413 4.046 0 40 DIAB S=C(NC1CCCCC1)N[C@H]1CCc2c(Cl)cccc21 84445467 DNTHLHMYCNHMIL-HNNXBMFYSA-N 308.878 4.124 0 40 DIAB O=C(NC1CCCC1)N(CCc1cccs1)Cc1ccoc1 90612429 ZGLFZHYPZYEPOU-UHFFFAOYSA-N 318.442 4.038 0 40 DIAB C[C@@H](Cc1nc2c(s1)Cc1ccccc1-2)n1cc(Cl)cn1 95427188 IPJUESLZCKLXDL-JTQLQIEISA-N 315.829 4.368 0 40 DIAB CSc1cccc([C@@H](O)c2cccc(Br)c2)c1 95730290 SHLVZRRTBWUDAA-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 218807931 BJAIJLBLFWRZCQ-SFHVURJKSA-N 323.436 4.265 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1Cl 224290549 QYIGQXPQBNJHJX-KGLIPLIRSA-N 311.853 4.440 0 40 DIAB CCc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1 226309351 LRVMWPQCPBSPMH-UHFFFAOYSA-N 311.410 4.002 0 40 DIAB O=C(NC1CCC(F)(F)CC1)c1cc2cc(Cl)ccc2[nH]1 390830785 NLESCRKQRARWTL-UHFFFAOYSA-N 312.747 4.129 0 40 DIAB O=C(CCc1ccccc1F)NCc1ccc(-c2ccoc2)cc1 390831143 PXNBRSIXAJFFEJ-UHFFFAOYSA-N 323.367 4.335 0 40 DIAB Cc1occc1CNc1ccc(N=S2(=O)CCCC2)cc1 585118596 VLEFJDYSBFADLW-UHFFFAOYSA-N 304.415 4.093 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2ccsc2)C1 675008390 VLUIVTBUMBDQIO-NSHDSACASA-N 323.820 4.099 0 40 DIAB Cc1ccc([C@H]2SCC(=O)N2c2cccc(Cl)c2)cc1 139339 GZIYQZWCZAFAOR-MRXNPFEDSA-N 303.814 4.427 0 40 DIAB COc1ccc2ncc(C(=O)Nc3ccccc3)c(Cl)c2c1 149363 JXVGHAQKNGSUCD-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB O=C1c2ccccc2C(=O)N1Cc1ccsc1-c1ccccc1 339107 YQMVGURCJRYUAU-UHFFFAOYSA-N 319.385 4.211 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12 807250 XUNIHZROODALPM-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB COc1ccc(CNCC[C@@H](c2ccco2)C(C)C)cc1OC 2206138 UFPNLONKLATBMA-MRXNPFEDSA-N 317.429 4.216 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 2764873 FPPHEMKPHGJNHB-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 4015071 WYZDXEKUWRCKOB-CZYCJXBPSA-N 304.474 4.349 0 40 DIAB biogenic Cc1ccccc1Nc1c(-c2ccc(O)cc2)nc2cnccn12 4597403 XWMZMKROVZVUSX-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB Cc1ccc2c(c1)-c1[nH]c(=S)[nH]c(=O)c1C1(CCCCC1)C2 4642589 AZINISNMIKCRII-UHFFFAOYSA-N 312.438 4.166 0 40 DIAB Cc1cc(C)cc(OCCNC(=O)Nc2ccc(Cl)cc2)c1 6188786 CUUAILWGIHQRKX-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 7403966 REBKORATLQFDJK-UHFFFAOYSA-N 323.845 4.402 0 40 DIAB O=C(Cc1coc2ccc3ccccc3c12)NCCc1ccco1 7798661 XLHHHWQYZKRNFL-UHFFFAOYSA-N 319.360 4.080 0 40 DIAB O=C(Nc1ccc(F)cc1)c1csc(-c2ccsc2)n1 7942596 KJKWQRVWXBZRCZ-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB COc1ccc(NC(=O)/C=C/c2cc3ccccc3o2)c(OC)c1 10029771 ZJMCRZSGXMVEEL-CSKARUKUSA-N 323.348 4.102 0 40 DIAB CCOc1ccccc1-c1nc2cnccn2c1NC(C)(C)C 12113792 AZQSAPFUPSXEGM-UHFFFAOYSA-N 310.401 4.005 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc2ccccc2n1 12610406 TWFZWMXSDYSNJE-ZRDIBKRKSA-N 318.376 4.204 0 40 DIAB Cc1ccccc1NC(=O)c1occc1COc1ccccc1 12618338 HVGFWJPYTXOADF-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccncc1Cl 13013398 KMBJXOGZAYBDSM-UHFFFAOYSA-N 315.587 4.223 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(F)c1 13709133 ANTFAPCFCAVIJK-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB OCCN(Cc1ccc(Cl)c(Cl)c1)Cc1cccs1 13997437 NWHDCJBXRIHFRR-UHFFFAOYSA-N 316.253 4.049 0 40 DIAB COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1C 14120733 UCIGWVUYGXBXCY-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CCN(CC(=O)Nc1cccc2ccccc12)Cc1ccccc1 16483190 PSFQSNWOMRWKRP-UHFFFAOYSA-N 318.420 4.300 0 40 DIAB C[C@H](NC(=O)NCc1ccccc1)c1cccc2ccccc12 17115546 TVQOETWGMKFFHG-HNNXBMFYSA-N 304.393 4.400 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2)c1 18013872 BAZHSDKSCDNHJW-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB Cc1ccc(C)c(C(=O)CCC(=O)NC2CCCCCCC2)c1 21874303 CSDIOAQYNFCRGU-UHFFFAOYSA-N 315.457 4.495 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 38771929 HHLQEMNUBNWREC-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccccc12 40056860 YSTAKKKOZUOKAE-LBPRGKRZSA-N 319.364 4.142 0 40 DIAB Brc1ccc(CNc2nc3ccccc3o2)cc1 42340222 GKCUHYWBEYLFCN-UHFFFAOYSA-N 303.159 4.202 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCC(C)(C)C1 44848299 BUSVSLZQNHONCB-OAHLLOKOSA-N 309.837 4.146 0 40 DIAB O=C(NCc1ccccc1Cl)[C@@H](c1ccccc1)n1cccc1 49030909 AVPBYIJGRYENRA-GOSISDBHSA-N 324.811 4.047 0 40 DIAB Clc1ccc(C2(NCc3noc(C4CC4)n3)CCCC2)cc1 57842040 VBSPTLNKPMQCEG-UHFFFAOYSA-N 317.820 4.160 0 40 DIAB Cc1nc(CN2CCC[C@H]2c2ccsc2)nc2ccccc12 58225413 DKEWJVQWAIGQSI-KRWDZBQOSA-N 309.438 4.337 0 40 DIAB C[C@@H](C(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2o1 75093777 CDYYGBPLJLUKMZ-CQSZACIVSA-N 320.392 4.123 0 40 DIAB CCO[C@@H](C)c1noc(CS[C@H](C)c2ccccc2F)n1 78164173 XTSAOYGCDFBZOT-WDEREUQCSA-N 310.394 4.301 0 40 DIAB Cc1nnc([C@@H](C)NCC2(c3ccc(Cl)cc3)CCCC2)o1 79029822 CZWOQKXIFLMJMK-GFCCVEGCSA-N 319.836 4.194 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2cccs2)c1 95422757 DKQYXICNERAQJL-CHWSQXEVSA-N 302.443 4.161 0 40 DIAB CCCCCc1ccc(C(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1 100590155 YZWXIGMTNZJLRT-CALCHBBNSA-N 302.414 4.493 0 40 DIAB Cc1cccc2cc(C(=O)N[C@H](C)CCc3ccccc3)oc12 226044399 CPROLBVFNADOEZ-OAHLLOKOSA-N 307.393 4.492 0 40 DIAB CCc1ccc2occ(C(=O)N3CC[C@H](c4ccncc4)C3)c2c1 521394424 PUFRHMGJIQQPTD-INIZCTEOSA-N 320.392 4.020 0 40 DIAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccs1 174126 XKYOMYVCHHRTOQ-UHFFFAOYSA-N 312.419 4.028 0 40 DIAB Cc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)cc1 290782 QNNOXYPXMGGSAT-UHFFFAOYSA-N 311.776 4.321 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1ccc(Br)cc1 2181348 WLIJJWRKIZRSAT-GFCCVEGCSA-N 312.251 4.395 0 40 DIAB c1ccc(-c2nc(-c3ccncc3)cc(-c3ccccn3)n2)cc1 4623572 OOCXWPKHVDUGAS-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB O=C(NCCC1=CCCCC1)c1cc2cc(Cl)ccc2[nH]1 4700064 QPMXMHSNQQTRGD-UHFFFAOYSA-N 302.805 4.442 0 40 DIAB COc1ccc2oc(-c3ccc4ccccc4n3)cc(=O)c2c1 4707535 DAVUOFSDMFFFAI-UHFFFAOYSA-N 303.317 4.017 0 40 DIAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 5070192 HPBMJTIXAXDVLJ-SKDRFNHKSA-N 311.838 4.061 0 40 DIAB O=C(NC1CCCCC1)c1ccc(C2SCCS2)cc1 5557890 WNNBXQLVRBNYCJ-UHFFFAOYSA-N 307.484 4.228 0 40 DIAB Cc1sc2ncnc(N[C@@H]3CCOc4ccccc43)c2c1C 5937978 ZKANGMWQVWHOPM-CYBMUJFWSA-N 311.410 4.244 0 40 DIAB CCN(c1ccc(NC(=O)Cc2ccccc2F)cc1)C(C)C 6123761 TXRMEWQICIYNIJ-UHFFFAOYSA-N 314.404 4.242 0 40 DIAB CCCCNCc1ccc(OCCc2ccccc2)c(OC)c1 7261670 UOHQCMGYUZKXLE-UHFFFAOYSA-N 313.441 4.206 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(Cl)c1 7971819 XOBOUHGNVAJSQN-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB CCC(C)(C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732920 VKPRGWHJIAWAJL-UHFFFAOYSA-N 309.431 4.017 0 40 DIAB O=C(CCc1ccsc1)N[C@H]1CCSc2ccc(F)cc21 9384879 DMMOYSFPGDLJTE-AWEZNQCLSA-N 321.442 4.173 0 40 DIAB Cc1c(C(=O)c2ccc[nH]2)oc2ccc(Br)cc12 12904070 VJDWLLWJIGPIIN-UHFFFAOYSA-N 304.143 4.063 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1F 14287960 NYUDSDQUAWIXLA-GFCCVEGCSA-N 305.780 4.230 0 40 DIAB O=C(CCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 15624546 SHICLTQPNHZUAJ-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(F)c1 16130543 UGALOAPFYUWASK-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 18158519 CHXYMVHDBQODDL-UHFFFAOYSA-N 321.767 4.034 0 40 DIAB FC(F)(F)c1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1 20718760 LDSLTPSEKYAKTH-UHFFFAOYSA-N 320.274 4.023 0 40 DIAB Cc1nc(Oc2cccc(F)c2)c2c3c(sc2n1)CCC3 24757522 QFULHZOILKDVOE-UHFFFAOYSA-N 300.358 4.420 0 40 DIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccccc1 26275765 RTVBSARHCIPCMD-UHFFFAOYSA-N 306.365 4.090 0 40 DIAB CCc1cc(C(=O)N[C@@H](C)CCc2ccccc2)sc1C 28198454 VZKUMGPRXPMCIG-ZDUSSCGKSA-N 301.455 4.370 0 40 DIAB O=C(N1CC[C@H]2CCCC[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 28896422 XRLSYGXRAVSIMK-JFNPMQPZSA-N 301.474 4.242 0 40 DIAB CSc1ccccc1C(=O)N[C@@H](C)Cc1ccccc1Cl 32930658 PAGYAHACIODVFE-LBPRGKRZSA-N 319.857 4.423 0 40 DIAB C=CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C 38142002 VWAUPFMBXBWEQY-IVAOSVALSA-N 310.437 4.276 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1c2ccccc2C[C@H]1C 38756832 CTWJWFAAGOLAEC-VQIMIIECSA-N 323.436 4.439 0 40 DIAB O=C(Cc1ccc(F)cc1)NC1CCC(c2ccccc2)CC1 40070313 BCVQCUXPBXPRNK-UHFFFAOYSA-N 311.400 4.211 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 44901009 NZGUZZUUQKQZCY-OAHLLOKOSA-N 323.502 4.027 0 40 DIAB O=C(N1CCCc2ccccc21)C1(c2ccccc2)CCCC1 49110429 YUULPLMGGIDMQX-UHFFFAOYSA-N 305.421 4.478 0 40 DIAB Cc1nn(CN2CCCC[C@@H]2Cc2ccccc2)c(=S)s1 58158621 QDUURUOCEVLDIR-OAHLLOKOSA-N 319.499 4.037 0 40 DIAB CCOc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 59059086 WNMLOKVTHQJJEY-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB Cc1ccc2[nH]c(=O)c(CNc3ccc(OC(C)C)cc3)cc2c1 72396093 HFAQJSJNZFJTAN-UHFFFAOYSA-N 322.408 4.236 0 40 DIAB CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@@H]2CC[C@@H](C1)N2C 100047620 JIKAVSKPMLXRKC-WXLQDFAISA-N 324.468 4.079 0 40 DIAB Clc1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 138462272 BSBOXQXOZZHMDR-UHFFFAOYSA-N 308.812 4.447 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)CCC2 223149997 FJZFYNUVPPSBSR-GMMCIKNFSA-N 309.384 4.205 0 40 DIAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(C)cc21 223232059 SZXNZAXCMZIOCM-UHFFFAOYSA-N 311.381 4.488 0 40 DIAB Cc1ccc(NC(=S)NCCSC(C)(C)C)cc1Cl 225350634 MWNZULVXBUZZRC-UHFFFAOYSA-N 316.923 4.467 0 40 DIAB Oc1nc([C@@H]2CCC(F)(F)C2)nc2cc(C(F)(F)F)ccc12 253535164 UBPUNADLKLCZSK-SSDOTTSWSA-N 318.245 4.257 0 40 DIAB O=C(COCc1ccccc1)c1ccc(F)c(C(F)(F)F)c1 382712916 IEGCNVPNTSMHIB-UHFFFAOYSA-N 312.262 4.244 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 390829882 HGMRGRMZRNKITG-INIZCTEOSA-N 323.477 4.281 0 40 DIAB O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1 53211 HIWSNFYJIAPVHH-UHFFFAOYSA-N 308.120 4.354 0 40 DIAB CCN(CC)C(=O)c1cccnc1Oc1ccc(Cl)cc1 127908 UWEUICOCUQYYRX-UHFFFAOYSA-N 304.777 4.009 0 40 DIAB CC(C)OC(=O)c1cc(NC(=O)C(C)(C)C)c(F)cc1Cl 1617774 SSJUUHDUABOISM-UHFFFAOYSA-N 315.772 4.029 0 40 DIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)c(F)c1 2515404 MEIVCBHWXOSOSD-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CC1(C)COC(CCCCC(=O)c2cccc(F)c2F)OC1 2518078 SOQRIQLDIYJWSP-UHFFFAOYSA-N 312.356 4.107 0 40 DIAB C[C@H](C1CC1)N(Cc1ccccc1)C(=S)NCc1ccccc1 3335606 YBZZFGATNVWOLS-MRXNPFEDSA-N 324.493 4.362 0 40 DIAB CC(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1 3403176 JTKWCQCWHXPSHN-UHFFFAOYSA-N 313.422 4.400 0 40 DIAB Cc1ccc(SCC(=O)NCc2ccccc2Cl)cc1 4167544 LKQUZPDJKQTROF-UHFFFAOYSA-N 305.830 4.057 0 40 DIAB COC(=O)c1ccc(CSc2cccc3cccnc23)cc1 4339030 HRBQCTFHFCJDJN-UHFFFAOYSA-N 309.390 4.314 0 40 DIAB O=c1[nH]c2ccc(Br)cc2c(F)c1-c1cccs1 4625455 HBRBNNTUQTUQKE-UHFFFAOYSA-N 324.174 4.158 0 40 DIAB C[C@H]1CCCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)C1 6469064 ZBCVSLAOZHWZDT-AWZALFRUSA-N 305.421 4.486 0 40 DIAB COc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)cc1 7641241 RQFPDBYOUMWXDR-ZDUSSCGKSA-N 314.410 4.114 0 40 DIAB CCOc1ccc(Br)cc1CNC1CCCCC1 8324497 HWPKOZOPJLNLQX-UHFFFAOYSA-N 312.251 4.270 0 40 DIAB O=C(NCCSc1ccccc1)c1ccc2c(c1)CCCC2 8361127 RQFSGKSKIYUDKI-UHFFFAOYSA-N 311.450 4.088 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)ccn1 8382786 RALJYDVFNMFGTP-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1 8569173 KJTYHAHMKCSFQH-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 8734923 WBXGWOSWMZIJMS-LBPRGKRZSA-N 304.440 4.143 0 40 DIAB O=C(Nc1nc(-c2cccs2)ns1)c1cccc(Cl)c1 11914372 IQCJTRDROVZAGY-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB CC1CCC(NC(=O)c2cc(C3CC3)nc3ccccc23)CC1 13986916 CZGMZSXDGITKDQ-UHFFFAOYSA-N 308.425 4.421 0 40 DIAB Cc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)C[C@H]2C)cc1 17056629 XPHOAJXTGUGBRR-QGZVFWFLSA-N 323.440 4.046 0 40 DIAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 18247586 DTRRCUQQVYIPNX-VXGBXAGGSA-N 324.207 4.229 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(C)cc1 19931788 SHEFCKLDKNKYGR-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1 19932684 RCRFUMRFRNTKPU-CYBMUJFWSA-N 315.438 4.298 0 40 DIAB COc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1 20006545 AEPGHTBUTDBPBM-UHFFFAOYSA-N 310.224 4.334 0 40 DIAB O=C(CCN1CCC[C@@H]1c1cccs1)Nc1ccccc1F 22199321 MIVBSVNJNUCUOY-OAHLLOKOSA-N 318.417 4.053 0 40 DIAB C[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)c2ccccc2S1 24585477 DYMYZRPSPMEQST-NSHDSACASA-N 319.376 4.496 0 40 DIAB CCn1c(SCc2ccccc2C)nc2ccsc2c1=O 27840086 VLOFSSVCOVOGPK-UHFFFAOYSA-N 316.451 4.079 0 40 DIAB CC1(C)C=Cc2c(c(O)cc3c(=O)cc(-c4ccccc4)oc23)O1 31170237 ZEKRJDMRETVRHI-UHFFFAOYSA-N 320.344 4.350 0 40 DIAB biogenic,in-vitro COc1cc([C@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC(C)C 32914550 KYYAUFHXNMNCEQ-LSDHHAIUSA-N 317.429 4.016 0 40 DIAB Cc1ccc2oc([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 35446485 NGINRCRIHRMDEF-HNNXBMFYSA-N 310.372 4.265 0 40 DIAB biogenic,in-vitro Cc1ccc2c(NC(=O)CSC3CCCC3)cccc2n1 38489105 BTLNVYMBYXVVEO-UHFFFAOYSA-N 300.427 4.158 0 40 DIAB Cc1ccccc1C(=O)N(Cc1ccsc1)CC(F)(F)F 44447448 UQGFCGLPLKXBHW-UHFFFAOYSA-N 313.344 4.261 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)N(C2CCC(C)CC2)C2CC2)c1C 45415403 IHJRIRIAOUIZAF-UHFFFAOYSA-N 316.445 4.017 0 40 DIAB C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1cccs1 48366337 QXMSOQRKMQALDO-LBPRGKRZSA-N 301.411 4.028 0 40 DIAB CCCCNc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72213596 XNACDHSQXSWHQC-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB CC(C)Nc1cccc(CNC(=O)[C@H]2CCCc3ccccc32)c1 79072533 MQWOTQNFUURDQK-FQEVSTJZSA-N 322.452 4.243 0 40 DIAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1Br 85386455 BLYFGQUQXWXFCJ-UHFFFAOYSA-N 322.202 4.297 0 40 DIAB COc1ccc([C@@H](NC(=O)C2=CCCC2)c2ccccc2)cc1 95965967 FBTNCUAAVWPVLP-IBGZPJMESA-N 307.393 4.011 0 40 DIAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 101078557 NGNHDKYUZUOJMK-IYBDPMFKSA-N 319.360 4.266 0 40 DIAB CC(C)(C)OC(=O)N1CCCc2c(Br)cccc21 217535395 SPKHQJYWDQQBAF-UHFFFAOYSA-N 312.207 4.137 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 224071247 CAHAEDZHENCPQL-INIZCTEOSA-N 323.436 4.130 0 40 DIAB CC(C)Oc1cccc(NC(=O)Cc2ccccc2Cl)c1 225438219 JJURFTCONQEIAL-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]12 253617481 OTTDRBNUMLADAX-RKLPBYAASA-N 304.474 4.205 0 40 DIAB Cc1nn2c(C(F)(F)F)ccnc2c1-c1ccc(Cl)cc1 408947315 BYNVJLVXOLSQDR-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB CCCCN1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 585100239 ISOAZBDCRREOMM-FQEVSTJZSA-N 320.521 4.214 0 40 DIAB C[C@]1(C(=O)Nc2ccc(O)cc2Cl)C[C@@H]1c1ccccc1 1584341238 TWQMJEKVSLLSOI-DYVFJYSZSA-N 301.773 4.178 0 40 DIAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 362221 CDUPCDDFJUNLDK-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB CCN(C(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 505185 CIMAOBMYRHWDCO-UHFFFAOYSA-N 303.789 4.080 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(F)c1 3548379 QVZTVBOBWKHPDE-LLVKDONJSA-N 307.752 4.194 0 40 DIAB CCCCN(CCCC)CC(O)CN(CCCC)CCCC 4416098 LJWZTCGLNIQHNW-UHFFFAOYSA-N 314.558 4.152 0 40 DIAB Cn1cc(NC(=O)Nc2ccc(F)cc2F)c2ccccc21 5265827 BZZYIBBGAMSIKI-UHFFFAOYSA-N 301.296 4.101 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc(Cl)c(Cl)c1 6795012 RFJFOKVWQLPMIX-NXEZZACHSA-N 316.232 4.293 0 40 DIAB O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)cc1 7608957 GGFZBAPGFBXNKK-UHFFFAOYSA-N 309.409 4.328 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C)cc1C 8040598 ZUJLFYMAYLVLBB-INIZCTEOSA-N 313.397 4.108 0 40 DIAB CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1 8254054 SPFHDHNISHJWPQ-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB CSc1ccccc1C(=O)Nc1ccc2ncsc2c1 10217360 MUZUQYMCRZEJSE-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccno1 10253874 JOQZMODHDRXZIQ-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB O=C(O)c1ccc(COc2cc(Cl)ccc2Cl)s1 12357615 KMRBGNCYMBAQOW-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB FC(F)(F)c1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1 19798364 MECNATMMNGQQES-MRXNPFEDSA-N 316.326 4.422 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)nc3)nc12 23268595 KWJSADGZHKFWFL-UHFFFAOYSA-N 317.801 4.214 0 40 DIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3c(C)cccc3C)ccc2o1 24927708 GBTXBZZOCGMRIK-CYBMUJFWSA-N 323.396 4.192 0 40 DIAB Cc1ccc(-c2onc(C)c2C(=O)N[C@H](C)c2ccccc2)cc1 35672333 RCSUNKKLLUMKKY-CQSZACIVSA-N 320.392 4.449 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)COc1ccccc1Cl)C2 36390383 HZUDWFYGQNPAEI-WBHUJUFNSA-N 321.848 4.050 0 40 DIAB COC(=O)c1cc(Nc2ccc(F)cc2)c2cccc(C)c2n1 38487126 NYELCNMYADJPFB-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1C 38773090 IPXCLGSEXJQKOO-SFHVURJKSA-N 313.397 4.108 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nc2c(s1)CCCCC2 40034661 RMNDWLBFADQZHZ-YNEHKIRRSA-N 304.459 4.177 0 40 DIAB COC(=O)c1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 44845131 XVNBIUQUASKGGS-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1sccc1C1CC1 67143979 UHIGWHBCNSBKGR-QWRGUYRKSA-N 317.376 4.476 0 40 DIAB O=C(c1ccsc1)N(CCc1cccs1)Cc1ccco1 75154750 SPTUVBKTYIWNLP-UHFFFAOYSA-N 317.435 4.288 0 40 DIAB Cc1cnc(CN[C@H](C)c2ccc(Br)cc2)s1 95963812 KZRTZZPBSTZESE-SNVBAGLBSA-N 311.248 4.065 0 40 DIAB CCc1ccc(CC(=O)OCc2ncc(C(C)C)s2)cc1 96011143 WDAFHRZQLPUWAG-UHFFFAOYSA-N 303.427 4.115 0 40 DIAB c1ccc2c(CN3CCN([C@H]4C[C@@H]5CC[C@@H]4C5)CC3)cccc2c1 100814564 PJPDUEXDCPPVHM-JUXOCIIHSA-N 320.480 4.146 0 40 DIAB CSc1ccccc1C(=O)NCc1cccc2ccccc12 193040794 ABOUTBIQRHQRNB-UHFFFAOYSA-N 307.418 4.492 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 222611581 FOGRZKPJYLDUHY-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(C)cc1 222679830 CWDOAORXFWROKO-QGZVFWFLSA-N 301.817 4.458 0 40 DIAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223207705 FAYHNQGGLCKOJC-HNNXBMFYSA-N 323.436 4.455 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 223389889 CWRXAALWJAQSDL-GFCCVEGCSA-N 309.862 4.437 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)c1 225058802 XQWSXDJNRHYSTC-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OCC)cc2)CCC[C@H](C)C1 225660839 ZJRJIFOYRZDYSV-HNAYVOBHSA-N 319.445 4.399 0 40 DIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225687495 WFGOUSDLZDCQKJ-GOSISDBHSA-N 307.434 4.254 0 40 DIAB CCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1Cl 225708289 HERDXSBWICFMEM-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)o2)cc1N 226303702 QKVKRODEEXSXLO-UHFFFAOYSA-N 312.413 4.242 0 40 DIAB CCc1cc(N)cc(Br)c1N1C[C@H](C)C[C@@H](C)C1 226315403 UJLGQUAMOHWBOS-GHMZBOCLSA-N 311.267 4.076 0 40 DIAB Cc1ccccc1NC(=O)/C=C/c1cnc(-c2ccccc2)nc1 408533249 QESHMGQQKRUEGW-VAWYXSNFSA-N 315.376 4.104 0 40 DIAB CCOc1ccc2c(c1)CN(c1ccc(C)c(Cl)c1)CO2 546743 PRYYKLXEEDAHBL-UHFFFAOYSA-N 303.789 4.404 0 40 DIAB O=c1[nH]c(-c2ccc(O)cc2)nc2scc(-c3ccccc3)c12 2633426 VAIYQNCQDWBQOE-UHFFFAOYSA-N 320.373 4.024 0 40 DIAB CCOc1ccc(NC(=O)CSc2cccc(C)c2)cc1 3101885 RMOWMSGUYTXPBZ-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB CC(=O)c1ccc(OC(=O)c2cccc(C(F)(F)F)c2)cc1 3329737 YLAHXDSWHMJZAE-UHFFFAOYSA-N 308.255 4.127 0 40 DIAB Cc1ccc2c(CC(=O)N[C@@H](C)CCc3ccccc3)coc2c1 3451678 MQUIWDMMXPKDMG-INIZCTEOSA-N 321.420 4.421 0 40 DIAB C[C@H](Nc1nc(C(F)(F)F)c(C(=O)O)s1)c1ccccc1 4294493 XQIRHLUYXPQAKF-ZETCQYMHSA-N 316.304 4.033 0 40 DIAB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@H]1O 4652793 GCUZTKRRUTYKPX-KJRRRBQDSA-N 309.453 4.486 0 40 DIAB O=C(Nc1nnc(-c2cccs2)s1)c1ccc(Cl)cc1 4681743 WUJIKAXSJGXGCL-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1OCC 4681767 UXBVQXNBSUKUQD-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2ccccc12 5486617 WZMHFMWIHMUWIR-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB O=C(Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cccs1 5770513 SLAJPHIYQNXATQ-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB CCCCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 5827167 NNIKAOAKRZDPAS-UHFFFAOYSA-N 307.397 4.438 0 40 DIAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC 6207209 GVVIRGSCETXNAN-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB CCCN(CCC)Cc1c(C)nc2c(CC)cccc2c1O 8714171 HBROYPZTWCZORH-UHFFFAOYSA-N 300.446 4.433 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 20110477 GVFPGUUUBQGZNX-GDBMZVCRSA-N 309.409 4.049 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 20488405 YQZOUCQINVGNJI-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CCOc1cccc(CNC(=O)/C=C/c2ccccc2Cl)c1 20491366 SRCJHVQGGDMJKM-ZHACJKMWSA-N 315.800 4.068 0 40 DIAB CCNCc1ccc(-c2ccc(Br)cc2Cl)o1 20875640 DVSHLIRDIQGDBL-UHFFFAOYSA-N 314.610 4.472 0 40 DIAB Cc1ccc(NC(=O)N(Cc2ccco2)C2CC2)cc1Cl 24774741 UWJCQIFUTSXSPJ-UHFFFAOYSA-N 304.777 4.438 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1C 32678645 ISTBUQFSWYVZGB-UHFFFAOYSA-N 307.846 4.301 0 40 DIAB O=c1oc2cc(Cl)ccc2n1Cc1c(F)cccc1Cl 32747411 DXDWMGZNHNOJQT-UHFFFAOYSA-N 312.127 4.089 0 40 DIAB Fc1ccc(OCCSc2nnc(C3CCCCC3)o2)cc1 32945409 VKCUFKODJOHWFO-UHFFFAOYSA-N 322.405 4.428 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)n1 33123918 CDIVABMEIMEFAN-BQYQJAHWSA-N 321.405 4.165 0 40 DIAB C[C@H](Cc1ccccc1Cl)NC(=O)CCc1ccsc1 40106901 QJEOJYVRWHNICW-GFCCVEGCSA-N 307.846 4.082 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 56907449 IUZDPXZLCWXVHL-GOSISDBHSA-N 322.433 4.438 0 40 DIAB O=C(c1ccc(-c2nc3ccccc3o2)cc1)N1CCCCC1 59842895 WHYRAEGEUVLBCI-UHFFFAOYSA-N 306.365 4.121 0 40 DIAB C[C@H](NCc1nc(-c2ccsc2)no1)c1ccccc1Cl 69570416 CNBLGARZDVCPMI-JTQLQIEISA-N 319.817 4.302 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1F 71325903 XRMLGUSSCIIYTF-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CC(C)CN1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 72212959 XWJXGOHKTDZUNP-GOSISDBHSA-N 303.494 4.498 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CC2)nc1 72213806 GMNXDSLOJSEAIA-OAHLLOKOSA-N 317.433 4.118 0 40 DIAB Cc1nc(Nc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224353 UCBHXSNEMNOQQW-UHFFFAOYSA-N 313.401 4.158 0 40 DIAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(Cl)o2)n1 72232465 RHLHWKQORXVBCT-SNVBAGLBSA-N 310.806 4.065 0 40 DIAB CC(C)[C@@H](O)c1ccccc1NC(=O)c1cc2ccccc2n1C 95451299 DYDDUZVVRPGXQS-LJQANCHMSA-N 322.408 4.120 0 40 DIAB COc1ccc(Cl)cc1[C@@H](C)N[C@H](C)c1c(C)noc1C 96477626 MBWXCBLCYWFQQQ-NXEZZACHSA-N 308.809 4.365 0 40 DIAB O=C1O/C(=C\Nc2cccc(C(F)(F)F)c2)c2ccccc21 100324701 CLJULSVEKMNLNY-ZROIWOOFSA-N 305.255 4.286 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 113959589 CNSBWVBHYATLFJ-CABCVRRESA-N 315.388 4.087 0 40 DIAB CC(C)Oc1ccccc1C(=O)NCCSC1CCCCC1 219734234 WEQWHODEPWRWRJ-UHFFFAOYSA-N 321.486 4.270 0 40 DIAB O=C(Cc1ccccc1Cl)NCc1cccc2ccccc12 222898241 XICXTTXNYDBOAB-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB COc1ccc(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223461916 PJBFKFRZKVXFTI-MRXNPFEDSA-N 311.425 4.040 0 40 DIAB Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 226254333 CASKQNITLJFEBC-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB Cc1ccc(N2N[C@]3(C[C@H](C)CC(C)(C)C3)NC2=S)cc1C 93153 VYTAONWKLRDLIJ-XIKOKIGWSA-N 317.502 4.045 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(Br)cn2)C1(C)C 291950 AXIVSTHBJFCRNV-DGCLKSJQSA-N 323.234 4.021 0 40 DIAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 514509 HBYQBEMBODIRML-CQSZACIVSA-N 313.397 4.225 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 557633 RPZKGAKKVJTKEW-UHFFFAOYSA-N 307.349 4.169 0 40 DIAB Fc1ccc(-c2nnc(S)n2-c2cccc(Cl)c2)cc1 1422217 HVSRRNOLLLMHOB-UHFFFAOYSA-N 305.765 4.016 0 40 DIAB O=C(NCCOc1cccc2ccccc12)Nc1ccccc1 2553839 VNTNXSSCMCTAPR-UHFFFAOYSA-N 306.365 4.040 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1ccc2c(c1)CCC2 2618642 MFHNSTVXRJNLAH-UHFFFAOYSA-N 309.409 4.064 0 40 DIAB C[C@@]1(O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 4128725 OETCOSLGEFSALY-DRRPUAHOSA-N 318.501 4.307 0 40 DIAB CCCc1cc(=O)[nH]c(SCc2cccc3ccccc23)n1 5154776 HKMXEFHBESNTFR-UHFFFAOYSA-N 310.422 4.168 0 40 DIAB O[C@@](c1ccncc1)(c1ccc(Cl)cc1)c1cccs1 5581236 NGBAPMHXLMRXGJ-MRXNPFEDSA-N 301.798 4.081 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 5614698 CEYPTNYXZDCJML-UHFFFAOYSA-N 302.399 4.129 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1C 5618110 WAGJEBNQSMAFLS-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB CCc1ccc(Nc2nnc(SCCSC)s2)cc1 6510346 UUFHOIUHABRQEI-UHFFFAOYSA-N 311.501 4.299 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)cc1 8162764 IQFNMIMLZXVOFT-CECLQJIQSA-N 309.409 4.284 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 8345014 BPNJVVYTHHVTMK-UHFFFAOYSA-N 301.198 4.319 0 40 DIAB O=c1[nH]c(/C=C/c2cccc(Cl)c2Cl)nc2ccccc12 8436560 VDWWPMPZZQKUHX-CMDGGOBGSA-N 317.175 4.400 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)O 8732850 WXNDVRNJFDVWSX-CYBMUJFWSA-N 309.431 4.017 0 40 DIAB O=C(Cc1ccsc1)Nc1nc(-c2cccs2)cs1 8935715 LPLOHEVAKIZSGW-UHFFFAOYSA-N 306.437 4.114 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 9503301 YPUXIABGWTXLKJ-JTQLQIEISA-N 320.742 4.455 0 40 DIAB CCOc1cccc(NC(=O)CSCc2ccccc2C)c1 10294093 LAHGEDWCBXKFFX-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)c1 16846817 NLGIYVGCBAJKJQ-UHFFFAOYSA-N 316.364 4.411 0 40 DIAB S=C(NCCSc1ccccc1)Nc1cccc(Cl)c1 18165612 AOJTTWJKCZEUIZ-UHFFFAOYSA-N 322.886 4.419 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1C 20110479 GVFPGUUUBQGZNX-ZBFHGGJFSA-N 309.409 4.049 0 40 DIAB C[C@]1(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1(Cl)Cl 22192103 RVMSTXNJZMBAOG-MRXNPFEDSA-N 320.219 4.461 0 40 DIAB COc1ccc(Cl)cc1C(=O)NC1(c2ccccc2)CCC1 24865186 XAZIWONSDVDBQY-UHFFFAOYSA-N 315.800 4.158 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Nc2ccc(C(C)C)cc2)c1 32228372 XUFPEZSPRRCUMN-CQSZACIVSA-N 312.413 4.258 0 40 DIAB c1ccc(Cn2ccnc2CSc2nc3ccccc3[nH]2)cc1 32778925 AGAOKMIGWMXMJE-UHFFFAOYSA-N 320.421 4.100 0 40 DIAB O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccccc2)no1 33155724 VMOSKEFCVALLRK-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB C=Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 43220488 PKNWHAWRYMDXIF-UHFFFAOYSA-N 303.402 4.108 0 40 DIAB CCSc1ccc(NC(=O)C2(c3ccccc3)CCC2)cn1 58427227 HTTKHHKUKAEGFP-UHFFFAOYSA-N 312.438 4.254 0 40 DIAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCC1(C)C 77352631 VFRNGQMFMBTWNF-UHFFFAOYSA-N 300.427 4.133 0 40 DIAB CC(C)(C)c1nc(Cl)c(Br)c(C(C)(C)C)n1 85451135 WDZHJPQKOYLYAY-UHFFFAOYSA-N 305.647 4.488 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 96191751 SKFGGLMDBKPZRC-LLZAJSRNSA-N 315.501 4.488 0 40 DIAB Clc1ccccc1[C@H]1C=C(c2cccs2)Nc2ncnn21 100834945 NZTGOTNUKXQXND-CYBMUJFWSA-N 314.801 4.049 0 40 DIAB Cc1c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc2c(F)cccc12 105764108 XSHQCIDZIKURRF-OSFYFWSMSA-N 315.388 4.435 0 40 DIAB CCOc1ccccc1CNC(=O)C1(c2ccccc2)CCCC1 195605128 NEUBMGSPBZSWCT-UHFFFAOYSA-N 323.436 4.214 0 40 DIAB C[C@H](NC(=O)CCCOc1ccccc1)c1ccc2c(c1)CCC2 223198499 VQTPSQFUZPLALN-INIZCTEOSA-N 323.436 4.212 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)c(Cl)c1 224999918 VDVFQBZBSWTFJS-CQSZACIVSA-N 301.817 4.400 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225633563 MPXSFKCAJYAVAM-BEFAXECRSA-N 319.445 4.255 0 40 DIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 408708206 HPBQAWVONJHVDE-OAHLLOKOSA-N 318.461 4.081 0 40 DIAB Clc1cccc(-c2nnn(-c3ccccc3)c2-n2cccc2)c1 1889302862 MBFNPDAHZRJTIL-UHFFFAOYSA-N 320.783 4.378 0 40 DIAB CCOc1ccccc1/C=C1\N=C(/C=C/c2ccccc2)OC1=O 70996 OPHWBTXQDRYMNW-SQCSQLHISA-N 319.360 4.095 0 40 DIAB O=C(Oc1ccc2c(Br)cccc2c1)c1ccco1 1017097 REDHPCHGBGNTAZ-UHFFFAOYSA-N 317.138 4.415 0 40 DIAB O=C(/C=C/c1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2 7779613 OZOCRHTZRGIKRR-OUKQBFOZSA-N 314.388 4.375 0 40 DIAB O=C(NC1CC1)[C@@H](Sc1ccccc1Cl)c1ccccc1 7910882 IGNHBWHOJPDOIF-INIZCTEOSA-N 317.841 4.452 0 40 DIAB CCc1c(C)[nH]c2c(-c3cccc4ccccc34)c(C)nn2c1=O 9935401 XFXORXVZQVKVAW-UHFFFAOYSA-N 317.392 4.022 0 40 DIAB Cc1ccc(OCCCCn2c(C=O)nc3ccccc32)c(C)c1 11735039 VKUCSMZHYDEYMI-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB Cc1cc([C@@H]2CCCCCN2C(=O)c2c(F)cccc2F)on1 12133862 IGXUBOMDPAOSPR-AWEZNQCLSA-N 320.339 4.019 0 40 DIAB O=C(N[C@@H]1CCCc2occc21)c1csc(-c2ccccc2)n1 12900629 OZSBAXIFCSFBKV-CQSZACIVSA-N 324.405 4.211 0 40 DIAB COc1ccc(-c2cc(C(=O)O)c3cc(C)c(C)cc3n2)cc1 12941654 HMVCRMXSSQCCKC-UHFFFAOYSA-N 307.349 4.225 0 40 DIAB Cc1ccc(-c2nnc(SCc3ccccc3F)n2C)cc1 13325522 JFIZVBYLUMILQL-UHFFFAOYSA-N 313.401 4.222 0 40 DIAB Clc1cccc(-n2ncc3c(Nc4ccccc4)ncnc32)c1 17190776 HIUGHOFGFULQOJ-UHFFFAOYSA-N 321.771 4.213 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C 20460659 HYYPPUUCXRKVLS-MRXNPFEDSA-N 317.816 4.122 0 40 DIAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1 21786843 XVPKWTHRIZAHJJ-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB C[C@@H]1Cc2ccccc2N1Cc1coc(-c2ccc(F)cc2)n1 24224480 NYPXCKHLKOZBOE-CYBMUJFWSA-N 308.356 4.432 0 40 DIAB CN(Cc1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1 24980280 BRTLHUJELUCKJF-UHFFFAOYSA-N 324.302 4.249 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(-n3ccnc3C)cc2)cc1 28306065 QDCVJSDLWIEMAQ-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB CC(C)Oc1ccccc1NC(=O)c1ccc2ccccc2n1 30955033 XQCPBEMPJZSKCH-UHFFFAOYSA-N 306.365 4.274 0 40 DIAB O=C(c1cccc2ccccc12)N1CC[C@H](c2ccccc2)C1 38567057 XWKOHNRJFBMMFO-SFHVURJKSA-N 301.389 4.470 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cc1 40040715 NBSYSPUTHCUZQT-QZTJIDSGSA-N 302.462 4.340 0 40 DIAB Cc1ccccc1CN(C)[C@@H](C)c1nc(-c2cccs2)no1 40071598 YQMODFOONNQRHY-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)NCCc1ccccc1F 40099246 AVIARLIMLNCDEC-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB Cc1noc(C)c1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117351 QRSWWCLULVZILY-QGZVFWFLSA-N 316.376 4.092 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1noc(C(C)(C)C)n1 40153356 ZVGSPNMKPRPPET-GFCCVEGCSA-N 313.401 4.306 0 40 DIAB Nc1cccc(Cl)c1NC(=O)c1ccc(Cl)cc1Cl 50352348 OJMAYXCLVILISH-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCCN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219298 IWJWMHAEJNKPOM-GOSISDBHSA-N 301.478 4.317 0 40 DIAB Cc1ccc([C@@H](C)CN[C@H](C)c2cnc3cc(C)nn3c2C)cc1 91726811 FHTQKQZCHGYYOY-GOEBONIOSA-N 322.456 4.109 0 40 DIAB C[C@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 95423052 GKSBXOPABQKIBV-SJCJKPOMSA-N 323.358 4.268 0 40 DIAB COc1ccccc1NC(=O)N1CCCC[C@H]2CCCC[C@H]21 95457593 GLBYSCWIDGZIOI-GDBMZVCRSA-N 302.418 4.272 0 40 DIAB COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2onc(C)c21 102734377 FOODNRTXNZIPLZ-MRXNPFEDSA-N 310.353 4.206 0 40 DIAB CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]12 123389656 YMRXPTYHXAWRHM-QUWBHBDJSA-N 320.517 4.387 0 40 DIAB CCc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222611893 OEANOOVMKGXPKK-UHFFFAOYSA-N 321.355 4.097 0 40 DIAB S=C(Nc1ncc(Cl)cc1Cl)NC1CCCCCC1 224039706 JNWFTDSRPHAFAE-UHFFFAOYSA-N 318.273 4.398 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)cc1 408676171 GMERIKROKQRNRL-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB Cc1cccnc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 583985284 FPVMQKVQGCVNIG-CQSZACIVSA-N 321.380 4.133 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CC[C@@H](c2ccsc2)C1 670902950 XFAXUEDLSCMAJJ-SNVBAGLBSA-N 309.793 4.170 0 40 DIAB CC(C)(C)C1CCC2(CC1)CC(=O)N(c1nccs1)C(=O)C2 1667782 UHIXCVZWFVMPLX-UHFFFAOYSA-N 320.458 4.019 0 40 DIAB O=C1O/C(=C(/Br)c2ccccc2)c2ccccc21 1675848 MTRRVZKKXVBIFP-BUHFOSPRSA-N 301.139 4.078 0 40 DIAB CCOC(=S)Sc1ccc2c(c1)-c1ccc(F)cc1C2=O 1701587 DDCXBTKIGMPZNN-UHFFFAOYSA-N 318.394 4.451 0 40 DIAB COC(=O)Nc1cccc(OC(=O)Nc2cccc(Cl)c2)c1 1756327 JZDMOJBHPHXXHB-UHFFFAOYSA-N 320.732 4.129 0 40 DIAB CCOP(=O)(Cc1c(C)oc(C)c1C(=O)CC)OCC 2438012 DPZJKZIBBKKUTP-UHFFFAOYSA-N 302.307 4.255 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2ccccc21 3538063 UZJOZHSPMTZUOW-UHFFFAOYSA-N 308.425 4.120 0 40 DIAB Cc1sc(C)c(CN2CCCCC2)c1CN1CCCCC1 4360916 REVZUNXTTRAVSR-UHFFFAOYSA-N 306.519 4.337 0 40 DIAB CCCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4655856 SYRFCXZVVPWBJJ-UHFFFAOYSA-N 319.474 4.036 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nncs1 5101194 MAEJDPQMDDWQTO-WDEREUQCSA-N 321.471 4.171 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1C 5861432 GWKPRBDQPPDLBJ-CQSZACIVSA-N 317.816 4.213 0 40 DIAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc2ccccc2c1 6652109 MWNOIGIGMVYTHD-AWEZNQCLSA-N 307.368 4.399 0 40 DIAB CCc1ccc2oc(C(=O)Nc3ccc(C)c(C)c3)cc(=O)c2c1 6811275 CAOPYQKMAYDEFJ-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1ccnc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 7366990 XWQKHEVEVKQIAX-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccccc2F)o1 8304395 NPOPVVCXPGWDCR-SWLSCSKDSA-N 301.361 4.394 0 40 DIAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2o1 9134765 LKWDHMFKMBSRMJ-CYBMUJFWSA-N 318.376 4.275 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 12893825 RZHVBODXMZCMNR-UHFFFAOYSA-N 322.383 4.116 0 40 DIAB CCCCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1 16639289 LPNGHXQIEVHACD-UHFFFAOYSA-N 305.324 4.396 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 20109130 TZSFJTLDFRHSGY-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 20488413 FKTFDZLPSVHZEM-UONOGXRCSA-N 315.388 4.033 0 40 DIAB O=C(O)c1cnc(C23CC4CC(CC(C4)C2)C3)c2ccccc12 20792186 ROILMQCCKIAYJV-UHFFFAOYSA-N 307.393 4.401 0 40 DIAB Cc1oc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)c1C 25386380 JSLWPOQXTNYDGN-UHFFFAOYSA-N 311.303 4.154 0 40 DIAB Cc1cccc2c(=O)cc(C(=O)Nc3ccccc3Cl)oc12 27995187 SOTYAELKRBPEAP-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCN(c1ccc(NC(=O)Cc2ccccc2C)cc1)C(C)C 30638999 NMLWSRSVRSXNJF-UHFFFAOYSA-N 310.441 4.411 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1F 32795235 FPCRRPDOHUKJHQ-RYUDHWBXSA-N 321.779 4.124 0 40 DIAB COc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC(C)C 32914549 KYYAUFHXNMNCEQ-HUUCEWRRSA-N 317.429 4.016 0 40 DIAB c1ccc([C@H]2NCc3c(sc4c3CCC4)-n3cccc32)cc1 32919309 MSYVDIVUDJELJJ-GOSISDBHSA-N 306.434 4.220 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 43747416 MWUWSRQUMOQPDE-CQSZACIVSA-N 301.817 4.458 0 40 DIAB Cc1ccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49592523 BBOBVHRQDQBPCO-UHFFFAOYSA-N 314.392 4.093 0 40 DIAB FC(F)(F)c1ccc(Cc2cccc([C@H]3CCCN3)n2)cc1 72356433 YVDGEZSSHSPLMF-OAHLLOKOSA-N 306.331 4.116 0 40 DIAB CC[C@H](NCc1scnc1C)c1ccc(OC(F)F)cc1 95421962 BIKYMOHKIHIPBP-ZDUSSCGKSA-N 312.385 4.294 0 40 DIAB Cc1nnc(CS[C@@H]2CCc3c(F)ccc(F)c32)n1C1CC1 95459954 FPPLFPSXVQYOFG-CQSZACIVSA-N 321.396 4.120 0 40 DIAB Cc1ccc(C(=O)c2cc(F)ccc2C)cc1Br 95917034 OTKISQLQXQBDGT-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB O=[S@](Cc1coc(-c2ccc(F)cc2)n1)CC1CCCCC1 96403876 MDGWAJHLUKGEDK-JOCHJYFZSA-N 321.417 4.310 0 40 DIAB Cc1ccccc1N1C(=S)N[C@H]2c3ccccc3O[C@@]1(C)[C@@H]2C 101268767 OIEZCBJRNABNNA-XVSDVWIESA-N 324.449 4.176 0 40 DIAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)C[C@@]4(C)CC[C@@H]32)C1 118917826 OUMKTFKBXXEGOM-DUBPVYKHSA-N 304.474 4.325 0 40 DIAB COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1N 216918682 SJKQOGCVYHZDAX-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222620573 CULDFYXEKLLNRE-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 224562375 CCOIKZFNINTJNB-LLVKDONJSA-N 321.779 4.369 0 40 DIAB Cc1cc(Br)ccc1C(=O)C(Cl)(Cl)Cl 306742872 GKOMAQDFNDPKOA-UHFFFAOYSA-N 316.409 4.310 0 40 DIAB Cc1cc(C(=O)Nc2nc3ccccc3s2)c2ccccc2n1 920294 OZZBKGIPHWSYND-UHFFFAOYSA-N 319.389 4.405 0 40 DIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 1303534 QMCLGDBCODWMRX-NGDUPAHQSA-N 316.441 4.060 0 40 DIAB O=C(NCCC1CCCC1)c1ccc(C(=O)c2ccccc2)cc1 1456296 ZBJQAQGIZVACMO-UHFFFAOYSA-N 321.420 4.228 0 40 DIAB CCCCN[C@H](C(=O)c1ccc(N(C)C)cc1)c1ccccc1 1593700 YCAMJWACOMDXTF-IBGZPJMESA-N 310.441 4.066 0 40 DIAB CCCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 2312322 ORZQJEOKYVQHLK-UHFFFAOYSA-N 306.793 4.223 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)CN1c2ccccc2C[C@H]1C 3327562 DBFUDIISNJBBNV-CYBMUJFWSA-N 304.393 4.110 0 40 DIAB Cc1cc(C(=O)CCC(=O)NCC2CCCCC2)c(C)s1 3456260 NMGOPSDDEVMAAM-UHFFFAOYSA-N 307.459 4.024 0 40 DIAB Cc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 4667818 CBAXMUMBSQANMR-ZHACJKMWSA-N 318.405 4.332 0 40 DIAB CC1(C)C[C@H](NCC[C@H](c2ccccc2)c2ccco2)CCO1 4834885 MTBSKVFOKRVVFD-QZTJIDSGSA-N 313.441 4.349 0 40 DIAB CCOc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034427 BTGKMTZRSGJPNQ-VAWYXSNFSA-N 321.376 4.056 0 40 DIAB CCC(CC)C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 5083522 SKPKJHVVZRTLBH-UHFFFAOYSA-N 313.426 4.438 0 40 DIAB CC[C@@](C)(CCNC(=O)C1CCCCC1)c1ccccc1OC 5305871 LSSZGJATAMKLDX-FQEVSTJZSA-N 317.473 4.450 0 40 DIAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)c(C)s1 6401575 ONHNYJHANJKQGS-ZDUSSCGKSA-N 315.438 4.205 0 40 DIAB O=C(/C=C/c1ccccc1)OCC(=O)c1cccc2ccccc12 8036456 DQSMIVOTDIKNPS-BUHFOSPRSA-N 316.356 4.279 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1 8480301 JVHLSASJHOLMDQ-DYVFJYSZSA-N 317.816 4.375 0 40 DIAB C[C@@H]1CCC[C@@]2(C1)NC(=S)c1c(sc3c1CCCC3)N2 8680918 ZTOTWGKXKZHRDV-QLJPJBMISA-N 306.500 4.224 0 40 DIAB aggregator CCC[C@H](Sc1ccccc1NC(=O)C(CC)CC)C(=O)O 8732894 VGGMOUIYOKYANJ-HNNXBMFYSA-N 323.458 4.407 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCCc2ccccc21 8986908 RSXGOHKMGLDLKD-UHFFFAOYSA-N 304.393 4.080 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2snnc2c1 9668629 LWLRWKYPZXQQHM-UHFFFAOYSA-N 306.435 4.028 0 40 DIAB COc1ccc2cc(C(=O)Nc3cc(C)cc(C)c3)c(C)nc2c1 12607403 ZFUPNFWAZIZKAR-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB C1=C(c2ccccc2)CCN(Cc2ccc(-n3cccn3)cc2)C1 12877603 QCMZVCUIHNVVTL-UHFFFAOYSA-N 315.420 4.162 0 40 DIAB CC1=C(C)[C@@H](Nc2ccc(C)cc2F)N(CCC(C)C)C1=O 13897168 PQJYDTJLZPCFMF-KRWDZBQOSA-N 304.409 4.097 0 40 DIAB Cc1ccc(C(=O)N2CCc3cc4cccc(C)c4nc32)cc1C 15842018 RGNVCNHUOFEDOV-UHFFFAOYSA-N 316.404 4.363 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 20025698 JTAYCILGKYZSLM-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1 20632798 DVANYKMNCGQSQP-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 22002642 NJJROUQUMUYFET-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(F)cc2F)cc1C 22540218 CDQOEEFWEUSZRP-CYBMUJFWSA-N 303.352 4.381 0 40 DIAB CCOC(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1 32607021 IDNRGDVXNJFUJR-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB c1ccc2c(c1)CSC(SCc1noc(C3CC3)n1)=N2 48872872 NKIPGTLADMTOCE-UHFFFAOYSA-N 303.412 4.115 0 40 DIAB Cc1ccc(NCc2ccc(O)c(Br)c2)cc1C 57997998 RAVGHERVDHXUFA-UHFFFAOYSA-N 306.203 4.384 0 40 DIAB CCn1nc(C)c(NC(=O)c2cc(-c3ccco3)cs2)c1C 72243236 VQDMGBMNDLONLJ-UHFFFAOYSA-N 315.398 4.094 0 40 DIAB CC(C)S(=O)(=O)Cc1ccc(N[C@H](C)c2ccccc2)cc1 72290451 KNOVGDFQFBJUSH-OAHLLOKOSA-N 317.454 4.183 0 40 DIAB c1cc(NCc2cccc3[nH]ccc23)cc(Oc2cnccn2)c1 89780735 QXFGTEPJYSFMBO-UHFFFAOYSA-N 316.364 4.362 0 40 DIAB Cc1cnc(CN[C@@H](CCc2ccccc2)c2ccccc2)cn1 95967373 XYIPYUARQQEDOS-NRFANRHFSA-N 317.436 4.249 0 40 DIAB Fc1cccc([C@@H](NCc2cc[nH]n2)c2cccc(Cl)c2)c1 96466813 METHTSARHUZFKP-KRWDZBQOSA-N 315.779 4.081 0 40 DIAB CCCOc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 96636207 CXVRTOCEMGMDDP-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB CC(C)(C)c1ccccc1NCC(=O)Nc1ccc(Cl)cn1 96969656 QWOLGJMLFQBQDU-UHFFFAOYSA-N 317.820 4.083 0 40 DIAB Cc1cc(NC(=O)Nc2ccsc2)ccc1Br 97164608 PFPKPIXUJJEZSG-UHFFFAOYSA-N 311.204 4.463 0 40 DIAB O=C(C1CCCC1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166329 SMNIKDIEEDULEN-ROUUACIJSA-N 301.405 4.253 0 40 DIAB O=C(Cc1ccc(Cl)cc1F)NC12CC3CC(CC(C3)C1)C2 222539021 XNKZXSRAMJAQBD-UHFFFAOYSA-N 321.823 4.107 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1C 222611685 RPDGGYBEARROAB-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C)cc1C 223029580 JIEHYGZCYPBXLD-IBGZPJMESA-N 309.409 4.119 0 40 DIAB COc1ccc(C[C@H](Sc2ccccc2)C(=O)O)cc1Cl 225124091 RFRCJUBXZTZUBE-HNNXBMFYSA-N 322.813 4.137 0 40 DIAB CCN(Cc1ccccc1)C(=O)CCc1ccc(Cl)cc1 225311350 KPYFPNWQRVYJNE-UHFFFAOYSA-N 301.817 4.321 0 40 DIAB CC(C)c1ncc2c(n1)-c1ccccc1CN(Cc1ccco1)C2 306135454 ORECNRGSSRIBEY-UHFFFAOYSA-N 319.408 4.376 0 40 DIAB O=C1CCCc2ccc(-c3nc(Br)cs3)cc21 2362804949 ZZAZUBVSUBMYEV-UHFFFAOYSA-N 308.200 4.092 0 40 DIAB Cc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 34701 OUKKZEMYMQANQC-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB O=C(Nc1ccc(Br)cc1)c1ccc(Cl)s1 3264629 UVLJHUDRCPJONX-UHFFFAOYSA-N 316.607 4.416 0 40 DIAB Clc1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3 3296764 MMYZCUJNSIQILW-UHFFFAOYSA-N 321.877 4.209 0 40 DIAB O=C(COc1ccc(Cl)cc1Cl)NCC1CCCCC1 3382493 ORLRIVVUGJSCCY-UHFFFAOYSA-N 316.228 4.069 0 40 DIAB Cc1csc(C(=O)O)c1NC(=O)c1ccc(C(C)(C)C)cc1 4104992 MDYZUGFCURFTFV-UHFFFAOYSA-N 317.410 4.305 0 40 DIAB COC(=O)[C@@]1(c2ccccc2)Cc2ccccc2-c2ccccc21 4720956 GAXHZDPCJBAVHN-JOCHJYFZSA-N 314.384 4.369 0 40 DIAB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CC1 5000423 BUIGPUZZBYPXHV-UHFFFAOYSA-N 308.406 4.236 0 40 DIAB COc1cc(C)c(NC(=O)CCC2CCCCC2)cc1OC 5616954 CDUIFBBFBQQWPZ-UHFFFAOYSA-N 305.418 4.311 0 40 DIAB O=C(Nc1ccnn1C1CCCC1)c1ccc(C(F)(F)F)cc1 7705606 LRTVRDKDNAXFIY-UHFFFAOYSA-N 323.318 4.269 0 40 DIAB Cc1cc(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)c(C)s1 8082967 LIQBWPOBYTWONU-UHFFFAOYSA-N 319.401 4.414 0 40 DIAB c1ccc(-c2nc(N3CCOCC3)sc2-c2ccccc2)cc1 8395322 XUSCWHCNMRYDGV-UHFFFAOYSA-N 322.433 4.314 0 40 DIAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccno1 10253961 BUPXMGUVWRQDOT-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CCC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 12809806 WXDQHRRFFMVEIO-UHFFFAOYSA-N 306.365 4.110 0 40 DIAB Cc1ccc(-c2cnoc2NC(=O)CSc2ccccc2)cc1 16841380 NKZZBIQIBJFMBA-UHFFFAOYSA-N 324.405 4.381 0 40 DIAB CC(C)C[C@@H](NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1 16966982 QYFXPGHTFHCECJ-QGZVFWFLSA-N 313.445 4.347 0 40 DIAB O=C(Nc1ccccc1F)c1cccnc1NC1CCCCC1 22072861 AFEMALRFTDOZNF-UHFFFAOYSA-N 313.376 4.218 0 40 DIAB c1ccc([C@H]2CN(CCc3ccncc3)Cc3ccccc32)cc1 26098240 AYRLMVVXRWWAIJ-JOCHJYFZSA-N 314.432 4.272 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 26501698 XYJFACOAPYGLJY-CHWSQXEVSA-N 303.402 4.184 0 40 DIAB O=C(COc1ccccc1)Nc1ccc(OC2CCCC2)cc1 29024573 LDCWIJTYYVTWSC-UHFFFAOYSA-N 311.381 4.026 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)NCCc1ccc(F)cc1 40058065 IEAFDYKCNYTBGH-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB COc1ccc(-c2csc(Br)n2)cc1Cl 41530892 HMUIVHKKSQUZPX-UHFFFAOYSA-N 304.596 4.235 0 40 DIAB C[C@@H](NC(=O)c1ccccc1SCc1ccco1)C1CC1 44890146 REPXRACHYYDRQP-GFCCVEGCSA-N 301.411 4.100 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(F)cc1 44900127 CGOJBLDBONATBP-RHSMWYFYSA-N 315.388 4.169 0 40 DIAB CCSc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)n1 49467499 KNBULEAMZHEZIE-UHFFFAOYSA-N 315.229 4.221 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 57061308 ADBLCXKVLSFZLV-CMKMFDCUSA-N 315.363 4.192 0 40 DIAB c1ccc(-c2cc(COc3ccc4ncccc4c3)on2)cc1 65206047 AOFUOFGAFNDPLZ-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB CONC(=O)c1oc2ccccc2c1CSc1cccs1 67144842 XXKMYOBTURYKSY-UHFFFAOYSA-N 319.407 4.078 0 40 DIAB O=C(O)c1cc(Br)ccc1CSc1ccccc1 72209166 BCQUFRWMGLSXGA-UHFFFAOYSA-N 323.211 4.440 0 40 DIAB c1ccc(CN2CCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 72213828 JQPQSDYOYABOCB-IBGZPJMESA-N 307.441 4.383 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cc(C)ccc1C 78458764 WUTSNHSNNHMFOU-CYBMUJFWSA-N 317.816 4.456 0 40 DIAB CC(C)[C@@H](NCc1cccc2c1OCCCO2)c1cccs1 84456459 COUKCFQUVZQGQO-QGZVFWFLSA-N 317.454 4.396 0 40 DIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1c(Cl)cccc1Cl 95096026 MWYWTGGYPQDKOB-QUBYGPBYSA-N 301.091 4.012 0 40 DIAB Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)o1 95440387 OOUWKSWYLJSHPY-NSHDSACASA-N 321.446 4.013 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCCC[C@H]3CCCC[C@H]32)c1 95457597 GDURBYDPCJDRSB-CRAIPNDOSA-N 314.429 4.466 0 40 DIAB Cc1nc(C(C)C)c(C(=O)Nc2cccc3ncccc23)s1 96231654 ITQSMHMTANEAEU-UHFFFAOYSA-N 311.410 4.375 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1F 96659300 YCQXDAIJMGKTMD-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB Cc1cc(N[C@H](C)c2ccc([S@](C)=O)cc2)c2ncccc2c1 97038502 DAYKRWNQNOTUMP-QKFKETGDSA-N 324.449 4.454 0 40 DIAB COc1ccccc1/C=C/C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100744181 YGLPYFAKQFPPQD-NBLXLWJJSA-N 313.441 4.136 0 40 DIAB CC(C)(C)OC(=O)N1C(=O)[C@H](c2ccccc2)c2ccccc21 137438934 ZEJFRCFSRDATOD-MRXNPFEDSA-N 309.365 4.100 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1 216485297 OPUABKZTROSCIA-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB COCc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 223413118 ZFTZOLVOPROHLZ-CQSZACIVSA-N 315.438 4.093 0 40 DIAB Cc1cc(C)cc(OCCNC(=O)c2cc(C)c(C)cc2C)c1 224114092 LTHASHRBYCOTMV-UHFFFAOYSA-N 311.425 4.038 0 40 DIAB CCCOC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410139 UVBFOZCCGGLHFV-UHFFFAOYSA-N 302.418 4.138 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1 225546312 UVCMHTFUMPAQAY-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 248382744 XYTAHKCVYAVMAD-DRMAHVMPSA-N 324.468 4.052 0 40 DIAB CCOc1ccccc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 253473071 RFHODCBTTYAIES-CQSZACIVSA-N 323.392 4.193 0 40 DIAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1OC 408586677 OTSWAGXJQVYBTN-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB COCn1c(COc2cccc3ccccc23)nc2ccccc21 268066 VFIQVWGYCCZJMW-UHFFFAOYSA-N 318.376 4.372 0 40 DIAB Cc1cccc(C)c1OCC(=O)Nc1ccc2ccccc2c1 361899 AJLMWEHOWVBBMG-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12 521710 DZGAYQWMBJOTTR-UHFFFAOYSA-N 301.349 4.113 0 40 DIAB O=C(c1ccc(Cl)cc1)c1ccc2ccccc2c1C(=O)O 1689893 AJXZPOQPSCXYOV-UHFFFAOYSA-N 310.736 4.422 0 40 DIAB O=C1N[C@H](c2ccccc2Cl)Nc2sc3c(c21)CCCC3 4151165 ZYMFNGZOJYIKIF-AWEZNQCLSA-N 318.829 4.134 0 40 DIAB O[C@](c1ccncc1)(c1ccc(Cl)cc1)c1cccs1 5389700 NGBAPMHXLMRXGJ-INIZCTEOSA-N 301.798 4.081 0 40 DIAB COc1ccc(CC(=O)Nc2c(Cl)cccc2Cl)cc1 5526948 XZFKKKJARLXFMB-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 6599081 RYAGDVMGCKBDED-UHFFFAOYSA-N 315.847 4.326 0 40 DIAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC1(Cl)Cl 7344707 BQQBKLLESZFEFP-AWEZNQCLSA-N 320.219 4.410 0 40 DIAB CCn1c(SCc2nc3ccccc3s2)nnc1C1CC1 7618208 YXDHBJBZCDFEBF-UHFFFAOYSA-N 316.455 4.077 0 40 DIAB CCC(C)(C)C(=O)Nc1nnc(CSc2ccccc2)s1 9196788 XEUBFLACPYJAOC-UHFFFAOYSA-N 321.471 4.205 0 40 DIAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)no1 9204225 NTRQVPJFIDEPBL-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB Cc1ccc(-c2ccc(CCC(=O)Nc3nccs3)o2)cc1 9970565 KWAYHQLDCSZPMG-UHFFFAOYSA-N 312.394 4.283 0 40 DIAB CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 12812520 UZGURLVYMGSUNV-UHFFFAOYSA-N 302.786 4.226 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)c2cccc3cccnc23)cc1 12844971 YNBZMRLZOKCJPG-CQSZACIVSA-N 320.392 4.125 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1F 13010215 OTJMYAARSLEWAO-ZDUSSCGKSA-N 311.356 4.334 0 40 DIAB COc1cccc2cc(C(=O)NCc3ccc(Cl)cc3)oc12 19887846 IIYDWPGAFIWGNT-UHFFFAOYSA-N 315.756 4.025 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1 20450232 WZGJXOYLDAMSOE-AWEZNQCLSA-N 315.438 4.055 0 40 DIAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)SC1 20724911 UGPVNWGKWLWVHL-LLVKDONJSA-N 314.197 4.141 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CCNCc1ccc(F)cc1 36657759 AUQNHPWNBZQBRR-UHFFFAOYSA-N 300.352 4.087 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C 40155734 CDWKJPACYVRXMX-AYBZRNKSSA-N 316.489 4.058 0 40 DIAB O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)c(Cl)c1 40268538 FPMCGVSRXDDTBP-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB CC(=O)c1cccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c1 40463476 CXSPOQHFIGCRQF-CYBMUJFWSA-N 321.380 4.421 0 40 DIAB Clc1cccc2c1CC[C@H]2Nc1nc(-c2ccccc2)no1 69516076 NUKBEDKFCIPMDC-OAHLLOKOSA-N 311.772 4.489 0 40 DIAB CC1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 76555438 MASDJGHJTKSMBR-UHFFFAOYSA-N 319.452 4.317 0 40 DIAB CCSCc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 95429264 OVBGLTDBKRZBCV-UHFFFAOYSA-N 324.453 4.337 0 40 DIAB Cc1ccc(C(C)C)cc1OC(=O)c1ncoc1[C@H]1CCCO1 96407059 PGSQHXFOXWTZLI-CQSZACIVSA-N 315.369 4.177 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 102597850 ZNPZZRYCWATNQP-MWODSPESSA-N 315.269 4.468 0 40 DIAB CCOc1cccc(NC(=O)c2ccccc2SCC)c1 113959085 JKZSFGUEOUUUHT-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3o2)c1 219946412 JNTJJODHTBARFY-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB Cc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c(C)c1 225026312 BTFWGXMXHHTMHP-IBGZPJMESA-N 312.409 4.303 0 40 DIAB Cc1ccc(C)c(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225028089 CNJHFRRCTFXPJD-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(F)c(F)c1 225753717 NGBWBLFTKCEUTD-NSHDSACASA-N 306.381 4.321 0 40 DIAB Cc1nc2ccc(NC(=S)N3CCCCCC3)cc2s1 408979499 RDVOWSDSZXDPDH-UHFFFAOYSA-N 305.472 4.178 0 40 DIAB Cc1cnc(Nc2cccc(C3CCN(C(C)C)CC3)n2)s1 585262621 JMCHHLJEZOLSGB-UHFFFAOYSA-N 316.474 4.178 0 40 DIAB Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)cn2cccc12 2037838318 CWCUMTQWSQATOY-UHFFFAOYSA-N 323.415 4.161 0 40 DIAB Cc1cnc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)s1 2037845385 BMDXYKSMXQFLPD-HNNXBMFYSA-N 311.454 4.312 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CCSc2ccccc21 1390789 YVBGSQBWLWNTOC-UHFFFAOYSA-N 304.802 4.484 0 40 DIAB O[C@H](c1cc(C2CCCCC2)nc2ccccc12)[C@@H]1CCCCN1 1729645 TXNJKGIJVCAFQP-PZJWPPBQSA-N 324.468 4.458 0 40 DIAB O=C(c1cc2ccccc2o1)N(c1ccccn1)c1ccccn1 3176666 SDJGEACNVSQLNP-UHFFFAOYSA-N 315.332 4.201 0 40 DIAB C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(Cl)c23)C1 3887558 RVNLJOQXBUQMNQ-JTQLQIEISA-N 321.877 4.065 0 40 DIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 4051260 OMBGLKGFZAIRFY-UHFFFAOYSA-N 305.809 4.155 0 40 DIAB CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nccs1)(C2)C3 4071235 BPQUOPIMJKGMFD-UHFFFAOYSA-N 304.459 4.468 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cnc1Cl 4280899 YCQZTDFSAHGCFE-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB CC[C@@](C)(Nc1ccccc1)c1nnnn1-c1c(C)cccc1C 4645887 LJHSQWKXHTVGLU-LJQANCHMSA-N 321.428 4.016 0 40 DIAB O=C(CSCc1ccccc1)Nc1cccc2cccnc12 5773807 WVSRAOONSHZUCK-UHFFFAOYSA-N 308.406 4.107 0 40 DIAB CCc1cccc(C)c1NC(=O)CNc1cccc(Cl)c1 6561147 HSVNACMINWCODM-UHFFFAOYSA-N 302.805 4.261 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1c[nH]c2ccccc12 7508202 FJALBQBGVCRVCO-UHFFFAOYSA-N 308.362 4.135 0 40 DIAB CCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 8914275 QMHGYJXNPPROST-UHFFFAOYSA-N 310.810 4.178 0 40 DIAB CCc1ccc(CCC(=O)NCCCc2cccc(C)c2)cc1 10110791 MLNMOSKAIJNILY-UHFFFAOYSA-N 309.453 4.239 0 40 DIAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)c(C)o1 12888834 ABILXPDLVKQTHV-UHFFFAOYSA-N 308.175 4.220 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2)on1 12896959 JVMAWBSJKRHNNC-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Clc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 13121870 DCXOEABCLIVSFE-QWHCGFSZSA-N 316.817 4.139 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 13820267 XYJXZPMGJSDFLB-AWEZNQCLSA-N 314.454 4.003 0 40 DIAB C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)C1CC1 14183964 JMYXMAJJFWKARX-LLVKDONJSA-N 320.483 4.083 0 40 DIAB Cc1cc(C)c(NC(=O)c2cccc(N(C)C)c2)c(Cl)c1 14669483 RGSUHSHKIKHKRK-UHFFFAOYSA-N 302.805 4.275 0 40 DIAB Cc1c(CN2CCC(N3CCCCC3)CC2)oc2ccccc12 19566366 PKIDAIXEQIIDNY-UHFFFAOYSA-N 312.457 4.192 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 20455543 NPSGDKUBYLWQFZ-OAHLLOKOSA-N 315.388 4.007 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cccn2)cc1 21796428 ODZBRLWWEMHVKS-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB COc1ccc(C)cc1C(=O)Nc1ccc(-c2nccs2)cc1 26783091 VDRWKLBBXRWJIC-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB COc1cc(C(C)=O)ccc1OCCOc1cccc(Cl)c1 32957874 WBLRZJKYYSBQRA-UHFFFAOYSA-N 320.772 4.009 0 40 DIAB CC[C@H](C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1 36763259 BGDJTPOEVMYSAE-KRWDZBQOSA-N 305.381 4.209 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1F 40069873 DLKJCXQALGEFRA-LLVKDONJSA-N 321.779 4.321 0 40 DIAB COc1cccc(C(=O)c2ccc(Oc3ccccc3)cc2)n1 45028737 QZAZZRFPYNGAIR-UHFFFAOYSA-N 305.333 4.114 0 40 DIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccco2)CC1 58150652 IKMOTJQMOSTNQC-UHFFFAOYSA-N 308.381 4.089 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)CCc1ccccc1 58355200 PAUAGEXRUCCKJS-ROUUACIJSA-N 324.468 4.328 0 40 DIAB Cc1ccc(Sc2cc(Br)cc3nonc23)cc1 66089231 OHKDEJYEXQOUNT-UHFFFAOYSA-N 321.199 4.445 0 40 DIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Cl)s1)n2C 100811985 MYEMEBUSBNYQHW-JQIJEIRASA-N 322.842 4.004 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222579046 MIEVOBJXPRWRIZ-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(C)cc1)c1ccc(OC)c(C)c1 223394407 UVCBYAIRWYCJIA-SFHVURJKSA-N 311.425 4.122 0 40 DIAB Cc1ccc(N)cc1-c1ccc(C(=O)N2CCc3ccccc32)o1 226304419 KFZVNUBEVSLOOO-UHFFFAOYSA-N 318.376 4.040 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2N)cc1 226358667 VOHTURRBJQVMQO-UHFFFAOYSA-N 318.804 4.063 0 40 DIAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1cccs1 359262 YMQYJFDHCNAFEY-GHXNOFRVSA-N 324.188 4.399 0 40 DIAB Cc1cc(C[C@](O)(/C=C/c2ccccc2)c2ccccc2)on1 387793 RRIDKSXWEQOLJO-DRUFCSCSSA-N 305.377 4.127 0 40 DIAB CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2F)c1 479436 XMGFYMRDASCWAT-UHFFFAOYSA-N 305.324 4.252 0 40 DIAB CC1(C)CCCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 548795 PHHZJGYURAGZMM-UHFFFAOYSA-N 314.820 4.391 0 40 DIAB CSc1ccccc1NC(=S)Nc1cccc(C(C)=O)c1 610992 MVNBSBMEUCMDDP-UHFFFAOYSA-N 316.451 4.420 0 40 DIAB CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 1710812 SGFGQSKEXCCYTI-RBUKOAKNSA-N 315.457 4.012 0 40 DIAB Cc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccco2)cc1 2356681 ZNWQLZOANJQIBK-QGZVFWFLSA-N 309.365 4.019 0 40 DIAB CC1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 2710348 LOVKKUBFRZORNY-UHFFFAOYSA-N 324.424 4.149 0 40 DIAB O=C(O)CS/C(=C\c1ccco1)c1nc2ccccc2s1 4206031 CCDXXSIRYJZFTM-JYRVWZFOSA-N 317.391 4.205 0 40 DIAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1C 4914420 IGCPPSUUESHORQ-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 4988451 UCDOBOPMZZHULH-UHFFFAOYSA-N 310.353 4.166 0 40 DIAB COc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 5701438 DDJFOYURVOUHFN-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 7608577 BUEPNGAUAHIISN-AWEZNQCLSA-N 322.433 4.230 0 40 DIAB CCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OC 7750067 QTVRYSGMAKQHJQ-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccsc3)n2)cc1 8102770 DLACLYFXGUAQAY-UHFFFAOYSA-N 314.435 4.175 0 40 DIAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)nc1 10056582 JBWSLKQUXRGGHI-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1C 12609138 BUKISCCFJPQVGX-LALPHHSUSA-N 313.363 4.189 0 40 DIAB C[C@@H]1CCc2sc(C(=O)N3CCc4ccccc4C3)cc2C1 12748314 FIVHVUHCAMVQJY-CYBMUJFWSA-N 311.450 4.071 0 40 DIAB Cc1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccncc1 13211807 AZTJKHQNDRTNOD-UHFFFAOYSA-N 314.392 4.044 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)cc1 14737881 DMJBQIWZAQLDSR-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB COc1ccc2c(c1)CC1=C2CC[C@]2(C)C1=CCC[C@H]2OC(C)=O 16321665 JGFILNAUHJYOTK-NHCUHLMSSA-N 324.420 4.457 0 40 DIAB Cc1ccc(-c2c[n+](Cc3cccc(C)c3)c3n2CCC3)cc1 17209266 YHKHZCVJBJOAEA-UHFFFAOYSA-N 303.429 4.054 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc(C)c2C)c1 18013699 GKAIOFBHVIYMHN-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CN(C(=O)c1ccccc1CCc1ccccc1)C1CCCC1 20461097 WGEBBADTWGHCRF-UHFFFAOYSA-N 307.437 4.486 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1 22254900 DEPYAUBKTNXKPR-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB O=C(Nc1cccc(Cl)c1)Nc1ccnn1C1CCCC1 28247670 YVUILXQLFIPJRD-UHFFFAOYSA-N 304.781 4.296 0 40 DIAB COC(=O)c1cccc(CSc2nc3ccccc3nc2C)c1 29282743 WMYGTHDPXZBXKV-UHFFFAOYSA-N 324.405 4.017 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCCC(C)(C)C1 30835491 SIZQBPUXFDHPLX-INIZCTEOSA-N 303.446 4.109 0 40 DIAB O=C(/C=C/c1cccs1)Nc1ccc2oc(C3CC3)nc2c1 40081574 YVYWKSZMZOGREQ-SOFGYWHQSA-N 310.378 4.419 0 40 DIAB CCc1nc2cc(NC(=O)Cc3ccccc3Cl)ccc2o1 58412218 GMSREXCOVOJFQC-UHFFFAOYSA-N 314.772 4.225 0 40 DIAB NC(=S)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 73634028 JQMCCPUWAUKXHK-UHFFFAOYSA-N 323.204 4.436 0 40 DIAB Cc1c(C(=O)N[C@@H](C)CCCC(C)C)c(=O)oc2ccccc12 75105324 AOJDUVYPLUNWRE-ZDUSSCGKSA-N 315.413 4.046 0 40 DIAB Cc1nc2ccc(NC(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)cc2o1 84290322 VKCXLRZTNNIHHQ-XHDPSFHLSA-N 324.380 4.424 0 40 DIAB CCOc1ccccc1CN(C)c1ccc(C(F)(F)F)cn1 84810988 QMPFKNURUMLFNM-UHFFFAOYSA-N 310.319 4.136 0 40 DIAB CCc1c(NC(=O)[C@@H](C)c2ccc(C)s2)cnn1CC(C)C 89280411 JZKHEBLKFFPIFY-ZDUSSCGKSA-N 319.474 4.214 0 40 DIAB CCOC(=O)n1cc(Br)c2cc(Cl)ccc21 90471301 XLOYQOZPQDWJFQ-UHFFFAOYSA-N 302.555 4.062 0 40 DIAB Brc1cccc(-c2csc(Br)n2)c1 95751640 WXYVKXSAWLILLT-UHFFFAOYSA-N 319.021 4.335 0 40 DIAB CC1(C)CCN(C(=O)CSc2ccccc2)c2ccccc21 96100831 LFWPTOYYAZKSOJ-UHFFFAOYSA-N 311.450 4.493 0 40 DIAB Oc1cc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)nn12 100962107 NOBJLEUORANENI-UHFFFAOYSA-N 321.767 4.422 0 40 DIAB Cc1nc2c(-c3ccccc3)cnn2c(O)c1Cc1ccccc1 101761045 XSPDPQSNRBXFQP-UHFFFAOYSA-N 315.376 4.001 0 40 DIAB CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 105581262 RBUIRFMMOKXJSA-YQYZPQCESA-N 301.430 4.087 0 40 DIAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1 107151749 OTMLJTHEJDZRGZ-OAHLLOKOSA-N 320.392 4.152 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 118925983 VIQFMADXQMGZER-XFHAOOBSSA-N 319.533 4.353 0 40 DIAB Fc1cc(Br)ccc1Nc1nc2ccccc2o1 144927243 REXIBBCNTJCOST-UHFFFAOYSA-N 307.122 4.473 0 40 DIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3)N21 222639979 FYDNJSLXEFDSOT-USXIJHARSA-N 309.438 4.061 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)c(C)c1 222640392 RZHXCYJKHZQKJP-CQSZACIVSA-N 301.817 4.377 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl 224994828 HORNBENMEUNODG-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CC(C)(C)C)OCC[C@@]31C2 257275201 NOIJMEQDGGGOTL-MGCCTARWSA-N 321.505 4.159 0 40 DIAB C[C@H](NCc1cscn1)c1ccc(C(F)(F)F)nc1Cl 585086185 ZXCPXKNNLBZXCM-ZETCQYMHSA-N 321.755 4.061 0 40 DIAB CC(=O)Nc1ccc(OC(=O)c2cccc3ccccc23)cc1 362884 WVVWZYZTIPYZRA-UHFFFAOYSA-N 305.333 4.017 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCCCC1 371938 OPVFMEIJHOJTPM-OAHLLOKOSA-N 303.446 4.154 0 40 DIAB Cn1c(Nc2ccc(Br)cc2)nc2ccccc21 513579 CYPQZMRSFBYJIJ-UHFFFAOYSA-N 302.175 4.079 0 40 DIAB Brc1ccc(-c2nnc(-c3cccs3)o2)cc1 1507162 SJTBEAXNMDOACV-UHFFFAOYSA-N 307.172 4.228 0 40 DIAB CCC(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1 1577341 WDAZWNUACIUHAO-UHFFFAOYSA-N 309.453 4.294 0 40 DIAB CCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1C 1584169 AFBOMHXPOUDXNO-CYBMUJFWSA-N 314.381 4.283 0 40 DIAB O=c1cc(CSc2ccc3ccccc3c2)nc2sccn12 3382389 IALBOFZLRPXQDQ-UHFFFAOYSA-N 324.430 4.202 0 40 DIAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OC 7538070 SRBITVMTOPNDMR-UHFFFAOYSA-N 319.832 4.346 0 40 DIAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccn2)c1 7885306 CZXDAACOKUYXOP-IBGZPJMESA-N 315.376 4.161 0 40 DIAB Cc1ccc(C)c(NC(=O)CCc2nc3ccccc3s2)c1 8180699 PHJTUEWBAQARML-UHFFFAOYSA-N 310.422 4.484 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(F)c2)c(C)c1 8369797 VSHBIJBDWWYYKI-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 10893743 PIQMGXAMQYLBFL-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1cccs1 12753921 JLYSLBHNXBXHOA-WDEREUQCSA-N 309.818 4.046 0 40 DIAB O=C(Nc1nccs1)c1csc(-c2ccc(Cl)cc2)n1 12979852 UPVAUNVJFSNQCK-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1 13947705 XZDBRXSXWXEIBB-ZDUSSCGKSA-N 318.442 4.013 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2)c1 14573662 NUVGYTPTHCHQPX-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB Clc1cc2c(c(CN3CC[C@H]4CCCC[C@@H]4C3)c1)OCOC2 16046984 ORDWTQMJVXHERZ-ZIAGYGMSSA-N 321.848 4.219 0 40 DIAB C[C@H]1C[C@@H](C)CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C1 19717989 SOOJUBAOVLBMML-GASCZTMLSA-N 320.440 4.103 0 40 DIAB O=C(N1CCC(Cc2ccccc2)CC1)C1(c2ccccc2)CC1 23239263 MDSVACQAPZBRON-UHFFFAOYSA-N 319.448 4.200 0 40 DIAB Cc1cc(C)c(CN[C@H](C)c2ccc(-n3cncn3)cc2)cc1C 25365004 OZKZHXDOQMUXSF-QGZVFWFLSA-N 320.440 4.043 0 40 DIAB CC(C)CNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 25527956 GIDFKPNLKRXFRV-KGLIPLIRSA-N 316.470 4.342 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 33723036 MZCAHIWUINLHBJ-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1OC(F)F 40090586 LZSVUGRQWUNKGS-HBWSCVEGSA-N 321.323 4.162 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=O)N1CCCC[C@@H]1C 59843437 DSFBGKAAHNRECY-VIFPVBQESA-N 302.201 4.017 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2cccc(F)c2C)c1 71325989 VSMXITAXAUCARV-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1cccs1 85556856 QGJNMSRRGHUAJY-UHFFFAOYSA-N 324.409 4.202 0 40 DIAB Nc1ccccc1-c1nc(-c2cc(Cl)ccc2Cl)no1 89262353 BVZVZGFHLGMSRV-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100333077 QAUXTLSTIJIAJC-YFCNSXCBSA-N 309.862 4.125 0 40 DIAB Cc1ccc(SCCC(=O)NCCSC(C)(C)C)cc1 113933065 QUNYCWIEKXCXIJ-UHFFFAOYSA-N 311.516 4.125 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950946 CTZNUJIBAUPQPV-SJFSSXKUSA-N 323.436 4.302 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 113968934 SBRKSWOONKNKDK-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)cc1Cl 216955122 ZUJAZAVEHLRQCN-UHFFFAOYSA-N 313.784 4.092 0 40 DIAB CC(C)OC(=O)c1ccc(NCCC2=CCCCC2)c(N)c1 225410199 SLKICIZTAYYSQJ-UHFFFAOYSA-N 302.418 4.136 0 40 DIAB CCc1nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2n1C 225896453 VFSWDVXCIBPUAO-UHFFFAOYSA-N 313.788 4.041 0 40 DIAB Cc1nc([C@H]2CCCCN2Cc2ccsc2)c2sccn12 257237382 HGFRXKNRDKKOLS-CQSZACIVSA-N 317.483 4.493 0 40 DIAB CCOc1ccc(Cl)cc1CNc1cccc(C(=O)O)c1 408606391 IPMUEMDPAVSHAI-UHFFFAOYSA-N 305.761 4.049 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 408616979 AXGQZBKGAVYGPJ-UHFFFAOYSA-N 317.360 4.184 0 40 DIAB COC(=O)c1ccc([C@H](C)N(C)Cc2ccc3ccccc3c2)o1 538096932 CSTFQLVMIZGRLX-AWEZNQCLSA-N 323.392 4.412 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(/C=C/c2nc(CCC(F)(F)F)no2)o1 546323721 VHHHVJVHJPPTGO-DREQKGALSA-N 312.291 4.451 0 40 DIAB CCCc1nc(-c2noc([C@@H](C)Cc3cccc(F)c3)n2)co1 576265411 LXABSFLPNQSRQJ-NSHDSACASA-N 315.348 4.162 0 40 DIAB O=C(NC1(c2ccccc2)CCCCC1)c1ocnc1C1CC1 585083605 LZJSMSBDHDLGCM-UHFFFAOYSA-N 310.397 4.141 0 40 DIAB COc1ccc(-c2noc(COc3cc(C)cc(C)c3C)n2)cc1 199802 OEFRSPPTJTYWJS-UHFFFAOYSA-N 324.380 4.249 0 40 DIAB Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)o1 818348 IKAIVJMSPLXBMH-UHFFFAOYSA-N 316.357 4.027 0 40 DIAB O=C(CCCCc1cccs1)NCc1ccccc1Cl 2729238 KKTXAYJFJDUMEU-UHFFFAOYSA-N 307.846 4.431 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2ccc(F)c3ccccc23)cc1 3127164 BWQZAYCVQIXSOJ-ZDUSSCGKSA-N 323.367 4.479 0 40 DIAB Cc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1 3352041 AHLBEUUXTUMZLV-UHFFFAOYSA-N 321.471 4.297 0 40 DIAB CC(C)Oc1ccc(-c2[nH]ncc2-c2ccc(F)cc2)c(O)c1 4643316 HHFPDNOGLMWBDT-UHFFFAOYSA-N 312.344 4.376 0 40 DIAB CCCCCOc1ccc(Cn2c(=O)oc3ccccc32)cc1 5014055 ROEFSBRSJHLQBR-UHFFFAOYSA-N 311.381 4.212 0 40 DIAB O=c1cc(-c2ccccc2)nc(SC/C=C/c2ccccc2)[nH]1 5154812 SUFQXAGJWYTZAA-JXMROGBWSA-N 320.417 4.242 0 40 DIAB Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 6341781 RBSQLWFKEAJTMX-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB O=S1(=O)c2cccc3cccc(c23)N1C/C=C/c1ccccc1 6641961 FSKFCTWPKGZGCG-RMKNXTFCSA-N 321.401 4.062 0 40 DIAB Cc1ccc(C(=O)[C@H](C)OC(=O)/C=C/c2ccccc2)cc1C 7977002 JRMGKGIOKBEYLC-TYZQSYOASA-N 308.377 4.131 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F 8268883 NIURSQSMXKJRPS-CMPLNLGQSA-N 300.324 4.406 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)c(C)c1 9113230 SDZYJLOVKFKCJH-LBPRGKRZSA-N 304.340 4.021 0 40 DIAB CC[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 10918612 GLQIVINAPOEDHM-KRWDZBQOSA-N 316.832 4.287 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 10979447 NPSHDAOANKXVLY-UHFFFAOYSA-N 315.316 4.250 0 40 DIAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 12989184 DTUAFHBXVPUEBR-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(OC(F)(F)F)cc1 13004390 BIDPVIOZNTYWOR-OAHLLOKOSA-N 321.298 4.003 0 40 DIAB CCCCN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 16476501 JEHJREMUJUWUKU-IBGZPJMESA-N 310.441 4.407 0 40 DIAB CCCCCOc1ccc(Nc2ccncc2C(=O)O)cc1 19795454 KCVJKZUEOSCKPZ-UHFFFAOYSA-N 300.358 4.092 0 40 DIAB CCCCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136585 JULFFSNSUFZGJO-UHFFFAOYSA-N 307.777 4.221 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCC(C)(C)C1 20484551 DYWRQBXYONQRGP-QGZVFWFLSA-N 303.446 4.109 0 40 DIAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1cccc(F)c1 26193693 LAWGCJWJCNIHBU-ZDUSSCGKSA-N 311.360 4.069 0 40 DIAB Cc1ccc2c(CC(=O)Nc3ccc4c(c3)CCO4)coc2c1C 31342640 XLBCSGQRWQKJKG-UHFFFAOYSA-N 321.376 4.166 0 40 DIAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)s3)C(=O)O2)s1 36394552 XSFRMOIJKCSWNT-TWGQIWQCSA-N 309.799 4.116 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1 40156606 FLKQCNZUYRLMDP-OKILXGFUSA-N 318.486 4.234 0 40 DIAB Cc1cc(NCc2cccc(Cl)c2)nc(-c2ccncc2)n1 60112770 XUINMYROEPCNFA-UHFFFAOYSA-N 310.788 4.113 0 40 DIAB Cc1cccc(N(C)C(=O)c2ccc(-c3ccccc3F)o2)n1 71911359 PYDSCGQLKBZCTB-UHFFFAOYSA-N 310.328 4.066 0 40 DIAB C[C@H](NC(=O)NCCc1ccccc1)c1ccc(F)c(Cl)c1 72025428 GYBZJGDOYXTTNE-LBPRGKRZSA-N 320.795 4.082 0 40 DIAB CC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 105833439 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509438 JOISWSVPICNUFD-AWEZNQCLSA-N 312.394 4.205 0 40 DIAB COc1cc2c(cc1OC)C(c1ccc(C)cc1)=NC(C)(C)C2 519434 CIJPBFVBJLEUNS-UHFFFAOYSA-N 309.409 4.184 0 40 DIAB biogenic Cc1cc2ccccc2[n+](C)c1-c1ccccc1Br 1701887 FMLBDGLTBVVPFX-UHFFFAOYSA-N 313.218 4.402 0 40 DIAB CCOC(=O)CCCC(=O)c1cccc(Oc2ccccc2)c1 2378939 FRKFYPMMVYUFAK-UHFFFAOYSA-N 312.365 4.395 0 40 DIAB Cc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)c(C)n2)cc1 2661140 GDXUPLDLMWWREH-AWEZNQCLSA-N 300.427 4.074 0 40 DIAB Cc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 2786964 CAUMPGZQEBFBKT-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB Cc1ccccc1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543274 ZSAWYNDCMMBLEW-QFYYESIMSA-N 312.438 4.035 0 40 DIAB Cc1cc(C(F)(F)F)n2ncc(-c3cccc(Cl)c3)c2n1 5484467 PPTKBERSEVTSMO-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB CC1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 5524032 MTJFIMKCZUAUEX-UHFFFAOYSA-N 315.244 4.054 0 40 DIAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 5707316 FJEWZTKJWDXTTJ-DDUZABMNSA-N 318.413 4.230 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1 8041487 QCWVQOXAEIEOGD-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2c1 8136311 AKLSIZRORIXHRE-UHFFFAOYSA-N 322.393 4.042 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)C1CCCC1)C(=O)O 8732958 GJNRUACGBZDNOP-OAHLLOKOSA-N 321.442 4.161 0 40 DIAB O=C(Nc1cccc2cccnc12)c1ccccc1OC(F)F 9314158 QFCJZEBUKLHFLV-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB CCOc1ccccc1CCCNC(=S)Nc1ccccc1 13674371 MBJYVNNVUFHYJV-UHFFFAOYSA-N 314.454 4.005 0 40 DIAB COc1cc(NC(=S)Nc2ccccc2)c(OC)cc1Cl 13790455 GMQMEZNQSXIYNY-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB S=c1n(CN2CCC[C@@H]2c2ccccc2)cc2ccccn12 14309194 BZGNDVCWURUFSI-QGZVFWFLSA-N 309.438 4.265 0 40 DIAB Cc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(F)cc1 16689869 SJPWRXRJZAFOPQ-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 20569824 VAWPWBMZIDUEHE-MGPQQGTHSA-N 318.461 4.229 0 40 DIAB O=C(c1csc2c1CCCC2)N1CC[C@@H]2CCCC[C@H]2C1 23429268 NRZVOZAAYNWGPL-KBPBESRZSA-N 303.471 4.279 0 40 DIAB O=c1[nH]c(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 32110904 VLORCJSLBLQLOO-KHPPLWFESA-N 308.406 4.034 0 40 DIAB CCOC(=O)c1sc(NC(=O)CCC2CCCC2)cc1C 35151857 NYUOQJOFGYWSJF-UHFFFAOYSA-N 309.431 4.142 0 40 DIAB O=C(CCSc1ccccc1)N1CC[C@@H](c2ccccc2)C1 38567165 WTUGMLXZLKYEGJ-QGZVFWFLSA-N 311.450 4.185 0 40 DIAB CC(C)Cc1ccc(CC(=O)N(C)Cc2ccccc2F)cc1 39983195 MIJDYYBVMXGSKD-UHFFFAOYSA-N 313.416 4.225 0 40 DIAB CCn1cc(C(=O)Nc2ccc3oc(C)nc3c2)c2ccccc21 39998444 REJXBIUSCWRRHR-UHFFFAOYSA-N 319.364 4.363 0 40 DIAB c1ccc2[nH]c(-c3cncc(-c4nc5ccccc5[nH]4)c3)nc2c1 40571788 XATQTLFKVWKYJJ-UHFFFAOYSA-N 311.348 4.168 0 40 DIAB CCOC(=O)CCCCCC(=O)c1cc(Cl)ccc1OC 43214382 WXCACPWHCYEKTE-UHFFFAOYSA-N 312.793 4.045 0 40 DIAB Cc1c(C(=O)N2CCCCCCC2)oc2c1C(=O)CC(C)(C)C2 44279788 WVBUWLULRBBFPL-UHFFFAOYSA-N 317.429 4.149 0 40 DIAB CCc1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 44900680 YQNTYCGMGCOTOV-SFHVURJKSA-N 313.397 4.054 0 40 DIAB CCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 45891585 IRGDPVYCWGQJRF-UHFFFAOYSA-N 309.196 4.390 0 40 DIAB C[C@H]1c2ccsc2CCN1Cc1ccc(-n2ccnc2)cc1 57645294 FXMPMMFDAIYPRX-AWEZNQCLSA-N 309.438 4.053 0 40 DIAB CCn1c([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)nc2ccccc21 69514622 FJKAGFYSRFYPFS-MAUKXSAKSA-N 323.440 4.076 0 40 DIAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1 71283049 AQIVRYKHIGBKIE-AWEZNQCLSA-N 317.414 4.064 0 40 DIAB Cc1cc(CS[C@H](C)c2nc(-c3ccccc3)no2)on1 89608705 ZYIAEAIIQGAHNG-LLVKDONJSA-N 301.371 4.027 0 40 DIAB Cc1cc(CN(C)[C@@H](C)c2cccc(-c3ccncc3)c2)no1 95459792 PPHLPAPJTWQXCL-HNNXBMFYSA-N 307.397 4.238 0 40 DIAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1C 223114464 WBNDNWFSUBGJNE-QGZVFWFLSA-N 301.817 4.458 0 40 DIAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCCC1 225945816 OXLMLCWPEHBDGD-UHFFFAOYSA-N 301.308 4.494 0 40 DIAB Cc1cccc(CNC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)n1 574984280 KPGSXFJQEVHOMZ-GOSISDBHSA-N 323.440 4.073 0 40 DIAB Brc1ccc(-c2cc3n(c2)CCn2cccc2-3)cc1 264261 XSFCIAGEGUAZCW-UHFFFAOYSA-N 313.198 4.400 0 40 DIAB CC[C@@H](C(=O)NCCc1cccc(Cl)c1)c1ccccc1 1466450 YHSZXNUPSURHFP-QGZVFWFLSA-N 301.817 4.193 0 40 DIAB COc1ccc(OC)c(Cc2ccc(Br)cc2)c1 1562036 KQUHVUVSPKVZLP-UHFFFAOYSA-N 307.187 4.057 0 40 DIAB CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 2443619 ZRHLHQJRYWWUCV-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC(C)Oc1ccc([C@H](CC(=O)O)c2ccc(F)cc2)cc1 2450629 KHNCFOMWTLMZCW-QGZVFWFLSA-N 302.345 4.220 0 40 DIAB CC(C)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 2623983 VGEVSJOEAROSSA-UHFFFAOYSA-N 324.449 4.193 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cccc(C(F)(F)F)c1 3567215 SXFYCGVHHVYWOX-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB CCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 4123830 OJWOWYJQDMXMRZ-UHFFFAOYSA-N 300.446 4.358 0 40 DIAB biogenic CC[C@H](C)c1ccccc1OC[C@H](O)CNC(C)(C)C(C)(C)C 4264057 IQGBZGOVPLFYRK-JKSUJKDBSA-N 321.505 4.354 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](C)c1ccccc1 8303871 TZWCADAUYLEVKC-CQSZACIVSA-N 320.392 4.184 0 40 DIAB Cc1occc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8833450 QAGOCNAQCLBLAA-UHFFFAOYSA-N 317.348 4.384 0 40 DIAB Cc1cc(NC(=O)CCC2CCCC2)ccc1N1CCCC1=O 11740421 HFCDQVOIKYBSBO-UHFFFAOYSA-N 314.429 4.031 0 40 DIAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccco1 12156709 ZAWWLKIHJWUSFZ-OAHLLOKOSA-N 311.381 4.236 0 40 DIAB Cc1cc2nc(NCc3cccc(Cl)c3)c3ccccc3n2n1 13101407 VVMNFYFLTPCVMS-UHFFFAOYSA-N 322.799 4.456 0 40 DIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2)c1 13672216 IYTLELRXYMHDBI-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB COc1ccnc(Oc2cc(Cl)c(Cl)cc2Cl)n1 15112632 YCACCURQUMYONC-UHFFFAOYSA-N 305.548 4.238 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CSc1ccccn1 16839865 CYLFCYUGWXBBNM-HUUCEWRRSA-N 317.454 4.127 0 40 DIAB OC(c1ccccc1)(c1ccccc1)[C@H]1C[C@@H]1c1ccncc1 17354679 KPUSUIKQQCFQCX-UXHICEINSA-N 301.389 4.121 0 40 DIAB in-man Cc1ccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1 18243895 NNTFSKVPDHOQGX-NEWSRXKRSA-N 319.404 4.068 0 40 DIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1F 27878032 QCYHHSPGZFKKMR-CMPLNLGQSA-N 323.717 4.330 0 40 DIAB CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 31389412 QWUXGEKKOVZDRP-ZDUSSCGKSA-N 302.443 4.396 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 36562770 NIJCKRUXRABDER-CJNGLKHVSA-N 317.816 4.375 0 40 DIAB c1ccc(OCCSc2nnc(C3CCCCC3)o2)cc1 40159056 KRPAOVKKYPBYRN-UHFFFAOYSA-N 304.415 4.288 0 40 DIAB CN(C)C(=S)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 40542499 IXEQAYWGXRZSFU-UHFFFAOYSA-N 300.210 4.491 0 40 DIAB Fc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 42132387 WUCYSNRRSSRVLV-OAHLLOKOSA-N 310.372 4.347 0 40 DIAB CCc1ccc(NC(=O)NCc2ccc(SC)cc2)cc1 44845403 BUGNEMXZDVBCHI-UHFFFAOYSA-N 300.427 4.293 0 40 DIAB CC(C)N(CC(=O)N[C@@H](C)c1ccccc1Cl)C1CCCC1 65475411 KMEZCLJSZQIBKL-AWEZNQCLSA-N 322.880 4.170 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 68846609 IYHMLTNPGLEMNK-UONOGXRCSA-N 317.816 4.027 0 40 DIAB O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)CC(F)F 72303528 YPSDIFPRMLNMEG-UHFFFAOYSA-N 323.770 4.176 0 40 DIAB CN(Cc1nc2ccc(F)cc2o1)Cc1c(F)cccc1Cl 79098014 DCPVRKAJXDIGTL-UHFFFAOYSA-N 322.742 4.391 0 40 DIAB CCN(Cc1nnc(-c2ccccc2)o1)[C@@H](C)c1cccc(O)c1 80931143 FRUIFGPOMBYKAA-AWEZNQCLSA-N 323.396 4.025 0 40 DIAB Cn1cnnc1-c1ccccc1NCc1ccc(C(C)(C)C)cc1 84284412 GSFTZMPBRGWFMP-UHFFFAOYSA-N 320.440 4.392 0 40 DIAB Cc1[nH]nc(C(F)F)c1NC(=O)N[C@H](c1ccccc1)C(C)C 95460789 HHKXFYLHLWZLKX-LBPRGKRZSA-N 322.359 4.175 0 40 DIAB CC[C@@H](NCc1ccc(C2OCCO2)cc1)c1ccc(F)cc1 96477578 QXRRXRAEYKZMQO-GOSISDBHSA-N 315.388 4.112 0 40 DIAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2S)cc1OC 101478561 PFZMNGHLNCXOBD-UHFFFAOYSA-N 312.394 4.050 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102789423 ASXIXCMTCZKFRD-GUDVDZBRSA-N 315.457 4.054 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)cc2)oc1C 103750622 SZBTYOOCXCFRFQ-QRTARXTBSA-N 308.381 4.109 0 40 DIAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1Cl 223544305 CHSRAFPKNNHUDT-UHFFFAOYSA-N 311.715 4.269 0 40 DIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c(C)c1 225739761 UMSKCORBOHLSQJ-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 200796 IYIFZTVXJKDTJS-OAHLLOKOSA-N 321.424 4.246 0 40 DIAB O=C(CSc1ccccc1)Nc1nc2ccc(F)cc2s1 574079 KSQNGOUJCGXLAE-UHFFFAOYSA-N 318.398 4.166 0 40 DIAB c1ccc(-c2cc(Nc3ccc(N4CCCC4)cc3)ncn2)cc1 1286914 NUOQFCQWTYCVCN-UHFFFAOYSA-N 316.408 4.487 0 40 DIAB CCCn1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O 2408615 YWIPDZYYDAQWPY-UHFFFAOYSA-N 318.829 4.497 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1F 2624456 GAQTVNNYWFXGEH-UHFFFAOYSA-N 301.361 4.384 0 40 DIAB Cc1ccc(NC(=O)c2sccc2C)c(Br)c1 2653767 WCTTYXFHEULMCQ-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)c1 5578325 HJHRCWWFYHLITA-RMKNXTFCSA-N 324.405 4.265 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 5779209 NCMVPIFMXBLLQZ-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCCc1cccs1 7655537 FBAGMSVEVREQKY-UHFFFAOYSA-N 309.818 4.372 0 40 DIAB CC(C)c1ccccc1OCC(=O)NCc1ccccc1Cl 8034424 OAZPQAKDJAYZFA-UHFFFAOYSA-N 317.816 4.159 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 11544911 HQOXSCBHUYLLRS-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB O=c1oc2cc(O)ccc2cc1-c1ccccc1OC(F)(F)F 11765885 VSAMMJZZFGTKRP-UHFFFAOYSA-N 322.238 4.064 0 40 DIAB biogenic CCc1cccc(C)c1NC(=O)C1=Cc2ccccc2OC=C1 12274547 ZZWROOJQVLYGCI-UHFFFAOYSA-N 305.377 4.486 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 12556234 MQGXHBCGCDCTKM-AWEZNQCLSA-N 324.424 4.013 0 40 DIAB C[C@@H](NC(=O)COc1cccc(F)c1)c1ccc2ccccc2c1 12881528 HWCWIABTGVJTFY-CQSZACIVSA-N 323.367 4.235 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 13399365 IBAJBHMZVIYPNR-RLDYGABPSA-N 304.474 4.349 0 40 DIAB F[C@H](C(F)(F)F)C(F)(F)Oc1ccccc1Br 16082655 LDNCBJYYWUBTQA-SSDOTTSWSA-N 323.030 4.321 0 40 DIAB CC(=O)N1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 19692120 SOFMASPJUFZJPD-UHFFFAOYSA-N 322.452 4.015 0 40 DIAB Cc1cc(C(F)(F)F)cc(-c2cccc(-c3cc[nH]n3)c2)n1 20601484 UNKVIBKBYDWQRK-UHFFFAOYSA-N 303.287 4.466 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 21895255 SGQFCLJRANBWCD-KBPBESRZSA-N 310.441 4.165 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21 22526401 SRFHRDVXWQOWGU-QGZVFWFLSA-N 315.800 4.087 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 22533042 SHHMODBIZSCLTK-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CCSc1ccccc1C(=O)Nc1cccc(COC)c1 25335936 IHYXFIFWVQHHPQ-UHFFFAOYSA-N 301.411 4.197 0 40 DIAB COc1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1OC 33852143 YYDAUEXKAFVRJS-UHFFFAOYSA-N 304.349 4.400 0 40 DIAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(C(C)C)cc1 39560676 KTPOFHYBQXZVHK-YSIASYRMSA-N 300.490 4.020 0 40 DIAB biogenic,in-vitro COc1ccc2cc([C@H](C)C(=O)N(C)C3CCCC3)ccc2c1 65591146 ZSPPGYWJYLXUBM-AWEZNQCLSA-N 311.425 4.353 0 40 DIAB Cc1ccccc1NC(=O)CSCCCOc1ccccc1 65626347 INALUWWERUJZRO-UHFFFAOYSA-N 315.438 4.136 0 40 DIAB CC[C@H](C)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889943 OZDAMKUXZNCXBL-LBPRGKRZSA-N 320.820 4.333 0 40 DIAB CCCCN1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219225 NHKYDWRJVUCWEX-GOSISDBHSA-N 301.478 4.317 0 40 DIAB Cc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1C 78933723 KILBGADYBKVNMK-LJQANCHMSA-N 308.425 4.456 0 40 DIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)C(C)(C)C)s1 95116314 MVFOPZQNIFQEFT-LBPRGKRZSA-N 303.431 4.065 0 40 DIAB CCO[C@@]1(C)Nc2ccc(Br)cc2N1C(C)(C)C 95629695 MAFRHHOYEOYANK-AWEZNQCLSA-N 313.239 4.190 0 40 DIAB CC(C)CC[C@](C)(O)CNc1nc(C(F)F)nc2ccccc12 97596967 HVZVQKSGCPJXGU-KRWDZBQOSA-N 323.387 4.167 0 40 DIAB O=C(O)c1cc(-c2ccccc2)nc2c(F)ccc(Cl)c12 109967335 ACEBEQCRKOPLDL-UHFFFAOYSA-N 301.704 4.393 0 40 DIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)cc3)N21 222640262 FYSQPHAGNOBMOX-CGTJXYLNSA-N 323.465 4.369 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C 225651697 MZDPQVTXBWKDKT-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCC1 225709879 KXLUXUGTCCQBEZ-UHFFFAOYSA-N 319.445 4.460 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c2ccccc12 225838127 ULOUTZCYCBGVNV-UHFFFAOYSA-N 315.413 4.382 0 40 DIAB CC(C)(C)O[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 263619648 ZTRAALSHNQGKFN-HOTGVXAUSA-N 305.418 4.039 0 40 DIAB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1C(C)(C)C 409022581 BODMOFDOFXMOAI-NTEUORMPSA-N 320.458 4.305 0 40 DIAB Cc1ccncc1-c1nc(C2(c3ccccc3F)CCCC2)no1 556329731 CFYUGGKIBWCYHU-UHFFFAOYSA-N 323.371 4.439 0 40 DIAB Cc1ccc(C)c(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1 325408 OUNNXVGJKQENSL-YBEGLDIGSA-N 311.768 4.301 0 40 DIAB Cc1ccc(Nc2ncccc2C(=O)NC2CCCCC2)cc1 1340575 OPSQDQSXGRAUEL-UHFFFAOYSA-N 309.413 4.196 0 40 DIAB CCn1nc(C)c2c(C(F)F)cc(-c3ccccc3OC)nc21 2732701 PNPHCBXMIPIXFN-UHFFFAOYSA-N 317.339 4.373 0 40 DIAB O=C(CSc1ccccc1)c1ccccc1Br 3242342 RLHLVNKQXRMZMP-UHFFFAOYSA-N 307.212 4.424 0 40 DIAB O=C(COc1cccc2ccccc12)NC1CCCCCCC1 3386314 HPTONWGFYMCLNG-UHFFFAOYSA-N 311.425 4.448 0 40 DIAB Cc1ccc(C)c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 3499253 JQZSYTAMFJWYJP-GFCCVEGCSA-N 320.845 4.471 0 40 DIAB CC(C)OCCCNC(=O)c1ccc(Oc2ccccc2)cc1 6947633 KRWMKKFAHFETFC-UHFFFAOYSA-N 313.397 4.024 0 40 DIAB c1ccc2nc(CSc3nnc(C4CC4)n3C3CC3)ccc2c1 7191406 ZEKWENOFCQJDIO-UHFFFAOYSA-N 322.437 4.331 0 40 DIAB CC(C)n1c(SCCc2ccccc2)nc2ccccc2c1=O 7236838 HFMYQDKLBARPBD-UHFFFAOYSA-N 324.449 4.312 0 40 DIAB CCc1nnc(NC(=O)c2sc3cccc(F)c3c2C)s1 7667691 JDEOMAFJJAOHCG-UHFFFAOYSA-N 321.402 4.015 0 40 DIAB Cc1csc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)n1 7968944 KOXXJBZZVATNHN-CYBMUJFWSA-N 308.834 4.483 0 40 DIAB O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9059888 BZQKMMTZCDREIR-ZNFPLGDCSA-N 323.421 4.001 0 40 DIAB Cc1noc(C)c1C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 10856896 WECIYPARGPBWGZ-HNNXBMFYSA-N 306.793 4.072 0 40 DIAB O=C(c1cccs1)N(Cc1ccc(F)cc1)c1ccccn1 11914720 BTEJCUMPBASMGH-UHFFFAOYSA-N 312.369 4.129 0 40 DIAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)C3CC3)cc12 13691285 AYFVHJZNWNZZBB-UHFFFAOYSA-N 319.360 4.321 0 40 DIAB biogenic CCOc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12 15840726 AWZFXOMJWIYHOZ-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB Cc1ccc2nc(NC(=O)c3cc(F)ccc3F)sc2c1 16348714 GFJMYLANGDBZQM-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577741 WWSPHYGHCJINMM-UHFFFAOYSA-N 312.388 4.377 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 22515810 MLPYDDVVGIEYJL-KBPBESRZSA-N 317.816 4.293 0 40 DIAB N[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 22588085 QHUYQHXMNCGJAS-NSRDPVEOSA-N 306.453 4.445 0 40 DIAB CC(C)CC[C@H](CC(=O)N1CCCC1)[C@@H]1CCOC(C)(C)C1 26961484 MSFCXDXGXWFVDF-IAGOWNOFSA-N 309.494 4.257 0 40 DIAB COc1ccccc1C(=O)Nc1cccc(OC2CCCC2)c1 32769532 VIEKFANFZYBEEC-UHFFFAOYSA-N 311.381 4.269 0 40 DIAB O=C(CCc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 32973919 FPLYEYUOEDARKB-UHFFFAOYSA-N 317.860 4.358 0 40 DIAB O=C(Nc1ccccc1)c1sc2ncccc2c1-n1cccc1 33297980 ZNLACLLOTZZBKI-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1O 48301162 JEHLEMJDVKCXLH-AWEZNQCLSA-N 311.425 4.130 0 40 DIAB COc1ccc2oc(/C=C/C(=O)Nc3ccccc3F)cc2c1 67340011 OPRJUQYFRODIBR-VQHVLOKHSA-N 311.312 4.232 0 40 DIAB C[C@@H]1C[C@@H]1c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890745 QOLXEOIKOMEGHY-SKDRFNHKSA-N 310.357 4.054 0 40 DIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1CC(C)C 72218883 LCDKXHMOMIZHNS-GOSISDBHSA-N 301.478 4.173 0 40 DIAB O=C(Cc1noc2ccccc12)N(CC1CCC1)c1ccccc1 84244726 NZSHWVAZTIOUGZ-UHFFFAOYSA-N 320.392 4.204 0 40 DIAB CC[C@H](NCc1ncccc1F)c1ccccc1Br 90720294 VMSGHFBGCRXWDR-AWEZNQCLSA-N 323.209 4.224 0 40 DIAB Cc1cccnc1CN[C@H]1CCCOc2c(Cl)cccc21 95422103 ATJCRCFKBSDNMG-HNNXBMFYSA-N 302.805 4.047 0 40 DIAB CC[C@@H](c1ccccc1)[S@](=O)Cc1cn2c(C)cccc2n1 95440962 JJIZLFSFXSABBK-JTSKRJEESA-N 312.438 4.043 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102956443 QJFOPNOLIOPAPA-CRFBAAHOSA-N 301.430 4.030 0 40 DIAB COc1ccc2c(c1)[C@@H](NCc1c(C)noc1C)CCCS2 187836205 MWUHJBNXOFEMJZ-INIZCTEOSA-N 318.442 4.017 0 40 DIAB COc1cc(Cl)c2[nH]c(-c3ccc(N)cc3Cl)nc2c1 216917727 APCOJNKJZLGLQQ-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2c(C)cccc2C(C)=CC1(C)C 223211024 GMVGPPLQVNFBCX-MRXNPFEDSA-N 301.430 4.195 0 40 DIAB C[C@@H](Oc1cccc(N)c1)C(=O)Sc1ccc(Cl)cc1 225402541 IKRDHMBMMAZCMU-SNVBAGLBSA-N 307.802 4.008 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225725276 LIOAUVUCGJCLKU-LJQANCHMSA-N 319.445 4.236 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352441 QFPAOCIDCYRUFS-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB Cc1ccc2nc(Cc3cccc(Br)c3)oc2c1 228947668 GXNDJUVFAKVCKS-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB Clc1ccc(CNc2cccc(-c3nc[nH]n3)c2)cc1Cl 538826034 LIMWBOKYDXGXFH-UHFFFAOYSA-N 319.195 4.391 0 40 DIAB CCCc1nc(-c2noc(C[C@H](C)c3ccccc3C)n2)co1 557523179 SHIREYMNQSBFKK-ZDUSSCGKSA-N 311.385 4.332 0 40 DIAB CC[C@@H](C(=O)NCc1cncc(-c2ccco2)c1)c1ccccc1 575618780 OVISRYNZBLKVCI-GOSISDBHSA-N 320.392 4.152 0 40 DIAB COc1ccc(CNCC[C@H](c2ccco2)C(C)C)cc1OC 2206139 UFPNLONKLATBMA-INIZCTEOSA-N 317.429 4.216 0 40 DIAB O=C(Nc1cccc2ccccc12)C(=O)c1c[nH]c2ccccc12 3120969 GDTLVUIFGYNJKD-UHFFFAOYSA-N 314.344 4.143 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)cc1Cl 3221721 LNPUFYSTWPEHPJ-LBPRGKRZSA-N 305.780 4.230 0 40 DIAB CC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)noc2C)cc1 3532832 SCMHSZNJHFGABM-UHFFFAOYSA-N 321.332 4.072 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2F)c1 3547842 GASIEDRWJGBWEI-VMPITWQZSA-N 305.736 4.140 0 40 DIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4545454 QACCXXVGDSLICR-OTYXRUKQSA-N 302.399 4.285 0 40 DIAB O=C(Nc1ccccc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4610896 MMOSXTJWJAFEOQ-RRIFHVCJSA-N 324.251 4.481 0 40 DIAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)O)c1 4616498 YKASMWJEDXOPJJ-UHFFFAOYSA-N 311.381 4.243 0 40 DIAB Fc1ccc(CNc2cccc3nc(C(F)(F)F)[nH]c23)cc1 4626110 AFCGITZRNNYNKV-UHFFFAOYSA-N 309.266 4.333 0 40 DIAB O=C(NCCCc1ccccc1Cl)c1cccc(Cl)c1 10542272 JRSRWXOIBNZOGF-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc(F)c1 12943190 JQMYZQACRTUNCP-MOEXGYKKSA-N 315.413 4.436 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2cccc(OC)c2)c1C 14125333 GQFVFIQNKUWRSL-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C2=O)cc1 17056626 GVZILAKFWWDAGS-NBMJBFSESA-N 323.436 4.121 0 40 DIAB COc1ccc(C)cc1-c1nc2ccccc2c(C)c1CC(=O)O 19413836 CNTKALMWBBWTHK-UHFFFAOYSA-N 321.376 4.154 0 40 DIAB C[C@H]1c2ccsc2CCN1Cc1c[nH]nc1-c1cccs1 19498347 BONAYYLBXWICNH-NSHDSACASA-N 315.467 4.319 0 40 DIAB Cc1ccc(N)cc1NC(=O)c1cccc(OCCC(C)C)c1 19736132 QLPMNGRPEAWBPG-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)c(C)c1 20047191 XDAZFNYYZSTJMU-GOSISDBHSA-N 313.397 4.108 0 40 DIAB Cc1nn(C)c2ncc(N[C@@H](C)c3ccccc3Cl)cc12 37084739 PQCHMMSSLNTOGY-JTQLQIEISA-N 300.793 4.103 0 40 DIAB CCNC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 40156495 AQRUYUIYGFWKNO-LJQANCHMSA-N 308.425 4.214 0 40 DIAB COc1ccccc1CN(C)C(=O)Nc1cccc2c1CCCC2 43316259 YYPCDUGWNMLLJK-UHFFFAOYSA-N 324.424 4.238 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@]1(C)CC[C@H]2O 43722402 DQOPJSFDWXFQLN-GMZCJUQFSA-N 304.474 4.061 0 40 DIAB S=C(NCc1ccco1)Nc1ccc(OC2CCCC2)cc1 44665512 WALQELHGBSDMPX-UHFFFAOYSA-N 316.426 4.088 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2Br)C1 48312033 LBUFULDSXKVZDQ-GHMZBOCLSA-N 311.223 4.149 0 40 DIAB COc1ccc2c(CN(C)c3cc(C)ccc3C)cc(=O)oc2c1 59423292 QBVLZZKASYNODN-UHFFFAOYSA-N 323.392 4.055 0 40 DIAB O=C(NC[C@H](O)C1CCCCC1)c1ccc(-c2ccccc2)cc1 70636664 AIEYWWIUENPJHW-FQEVSTJZSA-N 323.436 4.025 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 72214690 ZWVCTPSCZUKVOT-HNNXBMFYSA-N 319.449 4.048 0 40 DIAB CCc1nc(CN[C@H](C)c2cnc3ccsc3c2)cs1 95422160 VBDAYOHEUIJIHP-SNVBAGLBSA-N 303.456 4.166 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 96183919 MFVNFASIDRQZKQ-BETUJISGSA-N 317.360 4.329 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100834888 DXAQHGWMQKWEDY-QGZVFWFLSA-N 322.799 4.296 0 40 DIAB Cc1nc(C(C)C)ncc1-c1nnc(-c2cccc(Cl)c2)o1 216608215 NEZSIHRDNMFRRE-UHFFFAOYSA-N 314.776 4.279 0 40 DIAB C[C@@H](OC(=O)c1ccccc1N)c1ccc2c3c(cccc13)CC2 216850461 FTZBYCLDMVMEDZ-CYBMUJFWSA-N 317.388 4.439 0 40 DIAB COc1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222658371 DGVYEJFHIOHXGQ-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB O=C(COc1cccc2c1CCCC2)NC1CCCCCCC1 223267372 VPXLSJDTAJIMTJ-UHFFFAOYSA-N 315.457 4.173 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 224978257 FQPZMFBXYIOVOQ-UHFFFAOYSA-N 322.452 4.475 0 40 DIAB Nc1[nH]nc(C(F)(F)F)c1-c1cccc(Oc2ccccc2)c1 225815857 ZRASDUCBVHJRAN-UHFFFAOYSA-N 319.286 4.470 0 40 DIAB CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 226255675 FZVDLXXNTFLVRK-UHFFFAOYSA-N 323.440 4.245 0 40 DIAB COc1ccc2c(c1)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C 271624 JZRSBOQDYDZQKK-FQEVSTJZSA-N 307.393 4.225 0 40 DIAB Cc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12 567768 HDYARTHIXWDDET-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB CCCOc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 3554233 MMSCPJFZBGOJSJ-UHFFFAOYSA-N 321.323 4.329 0 40 DIAB CC(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]32O)C1 4403824 ZWDCUZKMRDIFAX-XRNRSJMDSA-N 308.506 4.389 0 40 DIAB O=C(Nc1ccc2cn[nH]c2c1)c1c(Cl)cccc1Cl 4864436 WZYMHENFQYXICJ-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2C)n1 5982050 MCAVCAKWRHDGEU-UHFFFAOYSA-N 316.360 4.478 0 40 DIAB biogenic CCCC(=O)NCc1ccc(-c2nc3ccccc3s2)cc1 6777902 PYAWFMVTFQYJQY-UHFFFAOYSA-N 310.422 4.380 0 40 DIAB Cc1c(O)ccc2c(CSCc3ccccc3)cc(=O)oc12 7451098 YEYOZPKYILHVGA-UHFFFAOYSA-N 312.390 4.240 0 40 DIAB Cc1ccccc1CS[C@@H](C)c1nc2ccccc2c(=O)[nH]1 9620270 AYUUCADCLXSSIX-ZDUSSCGKSA-N 310.422 4.226 0 40 DIAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 11636884 PPUQQAKEFWWODT-GOSISDBHSA-N 313.397 4.054 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3O)ccc2c1 13002763 SJOBQNRZDDOYCA-CYBMUJFWSA-N 321.376 4.296 0 40 DIAB c1ccc(-c2cc(CSc3nnc(-c4ccc[nH]4)o3)no2)cc1 14094555 SNBQJAXEVHQBFP-UHFFFAOYSA-N 324.365 4.012 0 40 DIAB CCc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1 15634115 FZYGGAOCHQUTOB-UHFFFAOYSA-N 314.454 4.353 0 40 DIAB CCOc1cc2ccccc2cc1C(=O)Nc1cc(C)ccn1 22190255 ZDBHWCXRMGFOBI-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)CCc1ccccc1Cl 22367591 MLGILPSXCIFFSW-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCC(C)CC1 24477703 PSSDSHXKXAVNBZ-UHFFFAOYSA-N 308.425 4.366 0 40 DIAB Cc1cc2cc(NC(=O)c3ccc(Br)o3)ccc2[nH]1 40081310 ABURCYFQQTZDEB-UHFFFAOYSA-N 319.158 4.084 0 40 DIAB Cc1cc(Br)c2oc(-c3ccc(N)c(C)c3)nc2c1 40542279 QTOLEZIBKPPROI-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB O=[S@@](Cc1ccc(Cl)cc1)Cc1nc2ccccc2s1 58045838 XHRWYZNPUCTTOM-HXUWFJFHSA-N 321.854 4.399 0 40 DIAB CCN(c1ccc(C(=O)N(CC)[C@H](C)C(C)C)cc1)C(C)C 60302660 ZBSOQOAWTZPMBY-MRXNPFEDSA-N 304.478 4.428 0 40 DIAB N[C@H](c1cccc(Cl)c1)c1cccc(OC(F)(F)F)c1 61703491 BMJBBUSZMVDXGE-CYBMUJFWSA-N 301.695 4.287 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(NCc3ccccn3)cc2)o1 69424525 SZKMONVMEMAAHY-UHFFFAOYSA-N 321.380 4.101 0 40 DIAB Cc1cccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1 71890716 KTROXQNVWOXPRY-UHFFFAOYSA-N 318.336 4.126 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(Cl)nc1 72211480 GUABYOQMVXCKPY-HNNXBMFYSA-N 300.789 4.102 0 40 DIAB C[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 84651530 YSKDCNYJCKYMMV-TZMCWYRMSA-N 323.362 4.130 0 40 DIAB Cc1nc(CNc2ccccc2O[C@H](C)c2ccccc2)no1 95409881 WHXYTQJVOIVTKT-CYBMUJFWSA-N 309.369 4.130 0 40 DIAB CC[C@@H](C)Oc1cccc(NC(=O)N2CC[C@@H](CSC)C2)c1 96418015 HDMZHXMDMZJHTA-ZIAGYGMSSA-N 322.474 4.081 0 40 DIAB Cc1ccn2c(-c3nnc(-c4cccc(Cl)c4)o3)c(C)nc2c1 216607738 TWQSXZIIYICXKA-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2ccccc2Cl)C(=O)O)c1 225056221 JTIBDSVNYDLDEV-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)c(C(=O)Nc2nnc(SC(C)C)s2)cc1C 225653390 IWUQAFPTKGMYHC-UHFFFAOYSA-N 321.471 4.216 0 40 DIAB CC(C)Oc1ccc(NC(=S)NCc2ccccc2F)cc1 225836025 KZYVMZDYXYMBIK-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CC(C)(C)C(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352320 XUAWZOXIVVZRHL-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB COc1cc(Br)c2c(Cl)csc2c1OC 228953237 BQJXANKXYQYOPG-UHFFFAOYSA-N 307.596 4.334 0 40 DIAB Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1 122234 CGCSONSXFOSORP-UHFFFAOYSA-N 314.186 4.444 0 40 DIAB in-vivo CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nsnc2c1 205186 HIIKHLSACDJIMW-UHFFFAOYSA-N 306.435 4.028 0 40 DIAB COc1ccc(/C=C/c2cc[n+](Cc3ccccc3)cc2)cc1 3100105 ZZIYHNCPHDMVGA-BQYQJAHWSA-N 302.397 4.201 0 40 DIAB Cc1csc(NC(=O)C2c3ccccc3-c3ccccc32)n1 3346927 VKMBGPUIQJGREA-UHFFFAOYSA-N 306.390 4.203 0 40 DIAB CCCCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 4077313 KTRZTYFHLCMEQI-UHFFFAOYSA-N 315.442 4.056 0 40 DIAB Cc1cc2oc(Br)c(CC(=O)O)c2c(C)c1Cl 4137162 ZKSAUGBJFFWSLI-UHFFFAOYSA-N 317.566 4.093 0 40 DIAB CCCCN(CCCC)C(=O)c1ccc(NC(=O)CCC)cc1 4696274 SRKGTBVCNHQRRN-UHFFFAOYSA-N 318.461 4.468 0 40 DIAB COc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cn1 5062366 LQXWNCRHUGQNSB-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB CCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5591716 RBMFFZYGRZJJBK-UHFFFAOYSA-N 311.491 4.355 0 40 DIAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(C)cc1 6276009 XGSAFQOEEKRTIT-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB O=C(CCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1 8071437 YSKBUHYOUMLOEQ-UHFFFAOYSA-N 318.376 4.445 0 40 DIAB Cc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1 8559457 WWCIVQZCUVHXLB-UHFFFAOYSA-N 323.421 4.116 0 40 DIAB CCC(CC)C(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732891 IHEFNXIDBCGGLP-ZDUSSCGKSA-N 309.431 4.017 0 40 DIAB Cc1ccc(C(=O)CCC(=O)Nc2cccc3cccnc23)s1 8769866 CENUUPAOFAXTQK-UHFFFAOYSA-N 324.405 4.206 0 40 DIAB COc1ccc(C)cc1NC(=O)c1ccc(COC(C)C)cc1 8851605 WJVPTZRLIPWTAL-UHFFFAOYSA-N 313.397 4.181 0 40 DIAB COc1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 16318546 NDGCDRSJWOQMNU-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CC(C)=CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 22897556 GLSGOYQFWOYVFQ-UHFFFAOYSA-N 312.335 4.210 0 40 DIAB C[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 29052411 OTTDRBNUMLADAX-OIMFUDJCSA-N 304.474 4.205 0 40 DIAB biogenic CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCCCCC1 30873184 LYBRULFYHXYTFT-SFHVURJKSA-N 303.446 4.300 0 40 DIAB COC(=O)c1cccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1 33559122 ZWHRUWDGZUJTKK-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB O=C(NCC1(c2ccc(F)cc2)CC1)Nc1ccccc1Cl 38591583 JGSIGRJODVGZBV-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB CCCOCc1ccccc1CNc1ncnc2ccsc12 59392260 QMARNYVPRKVIPJ-UHFFFAOYSA-N 313.426 4.230 0 40 DIAB CCN(C(=O)CC(C)C)[C@H](c1ccc(F)cc1)c1cccnc1 65568640 OHHTXFPPDTWJRL-LJQANCHMSA-N 314.404 4.205 0 40 DIAB CSCc1nnc(SCCCOc2cc(C)ccc2C)o1 65608462 HYAZIKRCKMJLGA-UHFFFAOYSA-N 324.471 4.111 0 40 DIAB CCCCNC(=O)/C=C/c1cc2cc(Br)ccc2o1 67339388 PAAKAGCHXPQYMP-FNORWQNLSA-N 322.202 4.125 0 40 DIAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72213389 JBPWDTAUZLKHIK-UKRRQHHQSA-N 319.449 4.364 0 40 DIAB CSc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72216970 XPIPGDFAEHZSQZ-ZDUSSCGKSA-N 308.447 4.266 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2C(=O)O 118924811 QKXFBVMFKBSRTD-ROGQGFJNSA-N 318.457 4.011 0 40 DIAB Cc1occc1SCC(=O)N1CCC[C@H]1c1cccs1 131451189 JINSWEKEWYPFPH-LBPRGKRZSA-N 307.440 4.105 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccs1 223348687 ICPWYJBTKKLKSZ-AWEZNQCLSA-N 301.455 4.163 0 40 DIAB Cc1cc(C)cc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225036427 DFFHJJWTZIKZHC-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cn1 225905488 WSYKBZLTAPPJNW-GOSISDBHSA-N 322.449 4.184 0 40 DIAB CCCCOc1cccc(C(=O)Nc2cccc([C@H](C)O)c2)c1 226274386 RNJPQGYFDOELIO-AWEZNQCLSA-N 313.397 4.171 0 40 DIAB Ic1ccc2[nH]c3c(c2c1)CCCCC3 675007573 CUFWXSLDWBSLJU-UHFFFAOYSA-N 311.166 4.041 0 40 DIAB O=c1oc2ccccc2cc1-c1cn2c(n1)sc1ccccc12 354183 HSRAFAOEQXTADE-UHFFFAOYSA-N 318.357 4.322 0 40 DIAB CC(C)(CNC(=O)c1cccs1)SCc1ccc(F)cc1 1392563 JXZDMIYHZAZYQP-UHFFFAOYSA-N 323.458 4.329 0 40 DIAB Fc1ccc(F)c(CNc2ncnc3cc(Cl)ccc23)c1 1406300 WLUKJQQTEJCGLN-UHFFFAOYSA-N 305.715 4.174 0 40 DIAB Cc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1 1620491 UXTAMMYSHMKJCQ-UHFFFAOYSA-N 308.333 4.083 0 40 DIAB CCN(CC)CCOC(=O)C=C(c1ccccc1)c1ccccc1 1734036 XIROWYXRKYJPMU-UHFFFAOYSA-N 323.436 4.003 0 40 DIAB CCc1ccc(OCCOCCOc2ccc(CC)cc2)cc1 2190773 KZHXCEFGXRSDTG-UHFFFAOYSA-N 314.425 4.286 0 40 DIAB CCn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1 2782479 RSWKFNBRZHPNJO-UHFFFAOYSA-N 303.450 4.011 0 40 DIAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2cccs2)c(C)c1 3330067 BGLIKCINRONJKK-VOTSOKGWSA-N 314.406 4.113 0 40 DIAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccs1 3598558 JBRVQHUXHJEIKU-UHFFFAOYSA-N 307.374 4.231 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4081429 WRWBCPJQPDHXTJ-JZEPMIPJSA-N 304.474 4.061 0 40 DIAB biogenic Cc1sc(C)c(-c2c(C)sc(C)c2C(=O)O)c1C(=O)O 4419591 CLOAPDAJWYVLRF-UHFFFAOYSA-N 310.396 4.107 0 40 DIAB CCC[C@@H](C(=O)Nc1ccc(OC)cc1OC)c1ccccc1 5460864 FDRHDORNUKOSIU-MRXNPFEDSA-N 313.397 4.226 0 40 DIAB COc1ccc(C)cc1NC(=O)CCOc1cc(C)ccc1C 6395776 LBFGLROYADCPBI-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)c1ccc[nH]1 6652155 VTSKQDZMKPJUSS-UHFFFAOYSA-N 318.398 4.252 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)cc1 7037324 IRPJIBDKMFRYJF-KRWDZBQOSA-N 317.816 4.159 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 7053412 SXRLVTNNBLZUCB-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB COC[C@@H](C)Nc1cc(-c2ccccc2)c2ccc(OC)cc2n1 7777695 GBJVCTMLHITZEM-CQSZACIVSA-N 322.408 4.357 0 40 DIAB C[C@H](NC(=O)COc1cccc(C(C)(C)C)c1)c1ccccc1 7975938 GVJFZCGEQLOCRH-HNNXBMFYSA-N 311.425 4.240 0 40 DIAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)C(F)(F)F 8071104 COVIUXRCUYSVJV-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB COc1cc(Cl)c(NC(=O)/C=C/c2ccccc2)cc1OC 8734642 FGQPLOWZWHKQAU-CMDGGOBGSA-N 317.772 4.009 0 40 DIAB COc1cccc2cc(C(=O)Nc3ccccc3Cl)oc12 8960584 JWOPFVXZFGKZAY-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB CCC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 12147325 DCCUKBWOXFCISN-AWEZNQCLSA-N 317.458 4.011 0 40 DIAB Cc1ccc(C(=O)n2c3ccccc3c3ccc(O)cc32)cc1 16292096 RULHDUCEXRKKRY-UHFFFAOYSA-N 301.345 4.497 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)cc1 22511087 VNBFIZWVYOCKEO-INIZCTEOSA-N 319.788 4.145 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2cccc(Cl)c2)C1(C)C 25156380 DZGGZMMTMKPSGE-HOTGVXAUSA-N 305.849 4.237 0 40 DIAB CCCCN[C@H](c1ccc(C=O)cc1)C(Cl)(Cl)Cl 31938615 VTUBCGHFOSQWHR-GFCCVEGCSA-N 308.636 4.300 0 40 DIAB Cc1ccc(Nc2nc(C(=O)Nc3cccnc3)cs2)c(C)c1 35596820 JVOKFQKKXLTKLU-UHFFFAOYSA-N 324.409 4.151 0 40 DIAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 36666499 PKQPNGYRAKHQDB-ZDUSSCGKSA-N 301.817 4.322 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C 38771395 MBXYALKBENMURZ-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB C[C@H](NC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 40120522 GRZHFTZCQTTWGU-NSHDSACASA-N 306.312 4.171 0 40 DIAB COc1ccc([C@H](O)c2ccc(Cl)cc2Cl)c(OC)c1 40247957 QDPSYMKBULTAMI-OAHLLOKOSA-N 313.180 4.092 0 40 DIAB Fc1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1 44091229 VOOIDNQLKZAOLZ-UHFFFAOYSA-N 310.737 4.170 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)C12CC3CC(CC(C3)C1)C2 48325366 ILPCJZXNZWJEQK-UHSVVUDUSA-N 315.482 4.410 0 40 DIAB O=c1[nH]c(-c2ccc(F)cc2)nc2sc3c(c12)CCCCC3 60479040 RLZISFJENIVBDA-UHFFFAOYSA-N 314.385 4.060 0 40 DIAB CC(C)COc1ccc(Cl)cc1CNC(=O)OC(C)(C)C 72209112 VQJKREYKMNCHQN-UHFFFAOYSA-N 313.825 4.400 0 40 DIAB O=CN1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217273 ZOCNOFAYQSIJEU-INIZCTEOSA-N 304.459 4.190 0 40 DIAB CCC(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 72342650 DEVMACFLAZITLX-UHFFFAOYSA-N 319.411 4.184 0 40 DIAB Cc1ccccc1C(=O)NCC[C@H](O)c1cccc2ccccc12 77116325 VYNJPUWWWFNBJB-FQEVSTJZSA-N 319.404 4.002 0 40 DIAB C[C@@H](NC[C@](C)(O)c1cccs1)c1cc2ccccc2o1 95968312 PLLXCXITFDWIDE-PXAZEXFGSA-N 301.411 4.053 0 40 DIAB C[C@@H](c1cccs1)[S@](=O)Cc1ncc(-c2cccs2)o1 96461117 XXGHXQXQOAEVAO-FVINQWEUSA-N 323.464 4.475 0 40 DIAB Fc1cc(F)c(NCc2csc([C@@H]3CCCO3)n2)cc1F 97236945 DBSBEEFNYPVRCG-ZDUSSCGKSA-N 314.332 4.024 0 40 DIAB CCCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364701 PXYJMKXLGSFPLG-FQQAFBJJSA-N 308.462 4.363 0 40 DIAB biogenic Brc1cccc(-c2nc(-c3cccs3)no2)c1 138365707 NPWVSWJVDNDANR-UHFFFAOYSA-N 307.172 4.228 0 40 DIAB Fc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1F 225460498 VZMDWZMTLWILDI-MRXNPFEDSA-N 318.392 4.329 0 40 DIAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225605608 RQAGSJJOJIMVDR-GOSISDBHSA-N 307.434 4.111 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OCC)cc2)CCC[C@@H](C)C1 225660780 ZJRJIFOYRZDYSV-DNVCBOLYSA-N 319.445 4.399 0 40 DIAB COc1ccc(CCCC(=O)NC2CCCCCC2)cc1C 408915972 SNPZSEXELHSERX-UHFFFAOYSA-N 303.446 4.165 0 40 DIAB CC(C)c1c(C2CC2)[nH]c2c(Br)cccc2c1=O 685938538 NHDLPIQGTLBTFV-UHFFFAOYSA-N 306.203 4.291 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCC1 2515634 MEGWFNVMTPGHDB-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB CCc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 2518094 SQRDWVHHHQYIQC-UHFFFAOYSA-N 304.430 4.391 0 40 DIAB CCCCC(=O)N(c1nnc(-c2cccc(C)c2)s1)C(C)C 4982527 FKJFOTAWOVSPIE-UHFFFAOYSA-N 317.458 4.445 0 40 DIAB CC(=O)CCSc1ncnc2sc(-c3ccccc3)cc12 5109179 RNFHIUQPKGRTKG-UHFFFAOYSA-N 314.435 4.430 0 40 DIAB Cc1cccc(COc2ccc(C=O)cc2Br)c1 5755069 GZORLMDZDIBOPV-UHFFFAOYSA-N 305.171 4.149 0 40 DIAB Cc1cc(C)c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c(C)c1 7976504 WSXCKDITZMCLTO-UHFFFAOYSA-N 310.397 4.020 0 40 DIAB Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2nc1C 8060472 NUOQAOHCCXSEBJ-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc2sccc12 8063386 LJNARQCLXYBMGQ-UHFFFAOYSA-N 323.343 4.347 0 40 DIAB Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(C)c1 10808777 YBJSJQDYIXFRCV-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB Cc1cc(C)n(-c2cc(Oc3cccc(Cl)c3)nc(C)n2)n1 12390091 FNCDJGNVIBSDID-UHFFFAOYSA-N 314.776 4.033 0 40 DIAB O=C(CCc1ccco1)N[C@@H](c1ccccc1)c1cccs1 12616465 YOLLWEGBCVNSRH-SFHVURJKSA-N 311.406 4.180 0 40 DIAB Cc1ccc(-c2noc(CN(C)[C@@H](C)c3cccs3)n2)cc1 12758261 CPSAKYNYQGMBFI-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB CCCOc1ccc(NC(=O)Cc2ccccc2)c2cccnc12 15841045 ZWYKLHFAUHBWKJ-UHFFFAOYSA-N 320.392 4.205 0 40 DIAB CC(C)CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20455963 KCPZWCYQKGARAS-UHFFFAOYSA-N 322.452 4.025 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(F)cc(F)c1 28210841 WTWNQUQPNJIWIX-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1cccc(NC(=O)CSc2ccc(-c3ccncc3)o2)c1 28527522 XHHHMZPJVDUWED-UHFFFAOYSA-N 324.405 4.381 0 40 DIAB CC(C)c1ccc(/C=C2/N=C(S)N(c3ccccc3)C2=O)cc1 33337276 JDNFVMLTHIWMFM-SFQUDFHCSA-N 322.433 4.484 0 40 DIAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 36636297 NHMWGBFBXOGRLO-UHFFFAOYSA-N 324.829 4.405 0 40 DIAB CCOc1ccccc1CNC(=O)/C=C/c1ccccc1Cl 38757068 MJOXOXLKTCWDQQ-VAWYXSNFSA-N 315.800 4.068 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 40088684 YLMDNBKRZMTXCV-JOYOIKCWSA-N 323.849 4.073 0 40 DIAB CCCN(CCC)C(=O)Nc1cc(OC)c(Cl)cc1OC 40103670 MCEVHLTZDHILQU-UHFFFAOYSA-N 314.813 4.011 0 40 DIAB CC1CCN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)CC1 44838708 XQFROPZEZHPWBS-UHFFFAOYSA-N 319.408 4.102 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccccn2)o1 55522502 AIFPTSBRZJKFMB-UWWQBHOKSA-N 324.424 4.094 0 40 DIAB CCC(CC)c1nnc(NC(=O)c2cc3ccccc3[nH]2)s1 57329285 OPPZVIAOGNMXCM-UHFFFAOYSA-N 314.414 4.175 0 40 DIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCCC1 58061458 VYVMKUJQHBWAAC-UHFFFAOYSA-N 315.800 4.008 0 40 DIAB O=C(NCC1CCCCC1)C1(c2ccc(Cl)cc2)CCC1 68739641 WBTCOPDGPMVQCC-UHFFFAOYSA-N 305.849 4.458 0 40 DIAB Cc1noc(C)c1C(=O)Nc1cccc(OC2CCCC2)c1C 71857428 VQBBGMIMWZYAPD-UHFFFAOYSA-N 314.385 4.174 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1Cl 72211533 CXGKPDVNRXGAAW-OAHLLOKOSA-N 300.789 4.102 0 40 DIAB C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)c1ccccc1 72285908 AZRHEDBYFSMDCY-ZBFHGGJFSA-N 314.454 4.391 0 40 DIAB CC(C)[C@@H](N[C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 75568195 JAVPQCZOXMYSHP-OXQOHEQNSA-N 310.441 4.391 0 40 DIAB Cc1ccc(NC(=O)c2ncoc2C(C)C)cc1Br 95956653 CGCQLDDHDPDBNR-UHFFFAOYSA-N 323.190 4.121 0 40 DIAB CCc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100033748 ULBLMCQSDJFVPM-QFBILLFUSA-N 308.381 4.019 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C 223471485 KSRCKMFVYCRXOX-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB Cc1cc(Cl)ccc1C[C@H](Sc1ccccc1)C(=O)O 225075470 FLSHKNGEHMPIHA-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB Cc1cccc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225079273 VABCZANCEAFXGT-INIZCTEOSA-N 304.773 4.032 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)NC1CCCCC1 225320585 WPONPPHGHMSCGK-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225651881 OKPFLUGCEMMINV-GOSISDBHSA-N 307.434 4.174 0 40 DIAB O=[S@@](Cc1ccccc1Oc1ccccc1)c1cccc(O)c1 541761935 CHTRDXSIMQSCCR-QHCPKHFHSA-N 324.401 4.492 0 40 DIAB CC(C)(NC(=O)c1cc[nH]c1C1CC1)c1ccc(F)cc1Cl 585080880 HDPRASVYPRZYCB-UHFFFAOYSA-N 320.795 4.350 0 40 DIAB CC(C)CN1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C 494748 CKUIPRQKFQVWNC-KRWDZBQOSA-N 324.852 4.115 0 40 DIAB COc1ccccc1NC(=O)CCCOc1ccc(C)cc1C 1913903 ATGQVZBAOFJUAT-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB O=C(CCc1nc2ccccc2s1)Nc1ccc(F)c(F)c1 2616661 LFKDVKUGUVYCFL-UHFFFAOYSA-N 318.348 4.146 0 40 DIAB CCOC(=O)c1cnc2cc(Cl)cc(Cl)c2c1Cl 3118805 JUHHXTUPYVWFKJ-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)c2ccccc21 3506253 KKHXHQVHWYRZAM-UVTDQMKNSA-N 303.283 4.222 0 40 DIAB C[C@@H](Nc1nc(C(F)(F)F)c(C(=O)O)s1)c1ccccc1 4294494 XQIRHLUYXPQAKF-SSDOTTSWSA-N 316.304 4.033 0 40 DIAB CC(C)N(Cc1ccccc1)Cc1nnc(-c2ccccc2)o1 5484114 OSFAIVUDTXKDAU-UHFFFAOYSA-N 307.397 4.147 0 40 DIAB Cc1nc2cc(-c3sccc3-n3cccc3)nn2c(C)c1C 5697238 XNVVFUCGFZVYPO-UHFFFAOYSA-N 308.410 4.174 0 40 DIAB COc1ccccc1CC(=O)Nc1ccccc1SC(F)F 7793199 MXDXIOGFQINPNB-UHFFFAOYSA-N 323.364 4.191 0 40 DIAB CCOc1ccc(NC(=O)CNc2cccc3ccccc23)cc1 7955352 WOETUWPWZVSBLG-UHFFFAOYSA-N 320.392 4.289 0 40 DIAB C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)NC1CCCC1 8920629 MKJPPEXGUVLTLJ-ZDUSSCGKSA-N 322.408 4.147 0 40 DIAB COc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 9064439 YEFXCOFLFBTLQW-OAHLLOKOSA-N 324.424 4.326 0 40 DIAB Cc1cccnc1NC(=O)c1sc(-c2cccs2)nc1C 9368307 SSWBORMZEOAVMH-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CC(=O)Nc1ccc(SCc2cnn(-c3ccccc3)c2)cc1 11288344 QQHJQEAWWWRECG-UHFFFAOYSA-N 323.421 4.123 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1Cl 11749955 PKIBBEHJGXRIKZ-UHFFFAOYSA-N 320.219 4.455 0 40 DIAB Cc1cc(C)c2c(NCc3cccc(C(F)(F)F)c3)n[nH]c2n1 12143044 DEDDHJPYPYBDBE-UHFFFAOYSA-N 320.318 4.206 0 40 DIAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccc(C)o1)C3 12276682 LQSKXXONWKLNRP-UHFFFAOYSA-N 322.364 4.213 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 12556112 YLIZBPUNDPGKKR-OAHLLOKOSA-N 308.425 4.231 0 40 DIAB Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12748393 XMKVKCAHTUGFNA-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12918700 KTSNERTWWSIQGS-QGZVFWFLSA-N 315.800 4.230 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 15471781 JUVBMGDGTODCRR-AWEZNQCLSA-N 311.425 4.484 0 40 DIAB C[C@H]1C[C@@H](C)CN(C2=CC(=[N+]3CCCCC3)CC(C)(C)C2)C1 15906351 DMCMMNOYIPXYFH-CALCHBBNSA-N 303.514 4.306 0 40 DIAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20025418 WJPOHAKCGQTRQP-UHFFFAOYSA-N 313.250 4.105 0 40 DIAB O=C1CCCN1c1ccccc1NCc1c(F)cccc1Cl 22474454 KJKQCVFJMQUOOA-UHFFFAOYSA-N 318.779 4.218 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(C)sc2C)c(Cl)c1 24070077 GCVINDLQYQCNPC-UHFFFAOYSA-N 315.847 4.128 0 40 DIAB C[C@@H](Nc1nc2ccccc2o1)c1ccc(NC(=O)C2CC2)cc1 32779342 GFIYWTBASGEUNT-GFCCVEGCSA-N 321.380 4.349 0 40 DIAB CCN(Cc1ccco1)C(=O)Nc1ccc(Br)cc1 43133763 PJDLNXICVZBPSC-UHFFFAOYSA-N 323.190 4.096 0 40 DIAB CSc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 44837655 DHFSNYXWORAXGT-UHFFFAOYSA-N 323.421 4.359 0 40 DIAB CC(C)CCN(Cn1nc(-c2cccs2)[nH]c1=S)C1CC1 48344351 NPPUMBMKSOBIRY-UHFFFAOYSA-N 322.503 4.137 0 40 DIAB Cc1cccc(N(C)C(=O)c2ccc(Br)s2)c1 49990815 KYYSKFKGGDEGJC-UHFFFAOYSA-N 310.216 4.096 0 40 DIAB COc1ccc(NC(=O)Nc2cccc(SC)c2)c(C)c1 51355841 HMIDNGQSHWZIJU-UHFFFAOYSA-N 302.399 4.370 0 40 DIAB O=C(C=C1CCCCC1)N(Cc1ccccc1)C[C@@H]1CCCO1 56150391 CGRFSOPAQURJRP-IBGZPJMESA-N 313.441 4.085 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1ncc(Cl)c(Cl)c1Cl 58080438 MGXHETGYJMKMCP-SSDOTTSWSA-N 307.608 4.056 0 40 DIAB CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCc2ccccc21 67479001 TVCCMCFNXWJMJZ-AWEZNQCLSA-N 314.454 4.200 0 40 DIAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1Cc1ccccc1 72218910 UFAPISWVNBPNBB-HXUWFJFHSA-N 321.468 4.327 0 40 DIAB Cc1cc(C(=O)c2ccccc2)cnc1N(C)Cc1ccccc1 72222355 DZEGRPXQNCFTBQ-UHFFFAOYSA-N 316.404 4.257 0 40 DIAB Cc1nc(N(C)Cc2ccccc2)ccc1C(=O)c1ccccc1 72224436 TUJRPAUNIROPIE-UHFFFAOYSA-N 316.404 4.257 0 40 DIAB Brc1ccc(CNCC2CCC2)c2ccccc12 85395087 CSXXTNOTDAQGFT-UHFFFAOYSA-N 304.231 4.492 0 40 DIAB CCOC(=O)/C=C/c1ccc(NCc2ccc(F)cc2F)cc1 95964596 JVKMPPOALPVQHH-BJMVGYQFSA-N 317.335 4.153 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC(C)(C)C 113971183 DXAYBMIPWCWPRA-MRXNPFEDSA-N 323.502 4.109 0 40 DIAB Cc1ccccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225016280 AOEWGKPZRZSDJR-LJQANCHMSA-N 306.361 4.223 0 40 DIAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1cccc(Cl)c1 225060769 NOHVNJZMWHNUOD-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccccc2)c1C 362323714 ZHKGLCFGPKPTRR-STQMWFEESA-N 300.406 4.045 0 40 DIAB CCc1cccc2c(C(=S)N3CCc4ccccc4C3)c[nH]c12 409193495 DTOZFBSCSOLCBV-UHFFFAOYSA-N 320.461 4.464 0 40 DIAB Cc1ccc(N2COc3ccc(Br)cc3C2)c(C)c1 99866 ISLQZJZPESBEEP-UHFFFAOYSA-N 318.214 4.422 0 40 DIAB O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2Cl)o1 273933 PSLHWJHWTBAFLX-UHFFFAOYSA-N 324.723 4.163 0 40 DIAB Clc1ccccc1[C@H]1C[C@H](c2ccccc2)n2ncnc2N1 531922 TUUXKVQSJDVIOR-HZPDHXFCSA-N 310.788 4.078 0 40 DIAB CCCN(C(=O)C1CCC1)c1nnc(-c2cccc(C)c2)s1 1345440 AGUYMNUUAHTZPY-UHFFFAOYSA-N 315.442 4.057 0 40 DIAB O=C(c1ccccc1Cl)N(c1ccccn1)c1ccccn1 3183459 JRLVUGUDKJZURO-UHFFFAOYSA-N 309.756 4.109 0 40 DIAB Cc1cc(NC(=O)Cc2ccsc2)ccc1Br 3368941 HGWFEPCYNHINIM-UHFFFAOYSA-N 310.216 4.000 0 40 DIAB CC(C)Cc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1 3515510 WNAPOEICKCZABP-INIZCTEOSA-N 311.425 4.141 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CNC(C)(C)C(C)(C)C 4264058 IQGBZGOVPLFYRK-CVEARBPZSA-N 321.505 4.354 0 40 DIAB CCCCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1 4412155 BFHWQAPUPFWKAX-UHFFFAOYSA-N 317.458 4.457 0 40 DIAB C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc2ccccc2c1 5866508 OFIWYNDHIYRVIK-CQSZACIVSA-N 323.367 4.235 0 40 DIAB OC1=N[C@H](c2ccc(F)cc2)Nc2sc3c(c21)CCCC3 5997067 UQEQICLTNZKPEU-AWEZNQCLSA-N 302.374 4.195 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2C(F)(F)F)C1 8222781 KDXYFNKTADMWQH-GHMZBOCLSA-N 300.324 4.215 0 40 DIAB O=C(Nc1cccc2cccnc12)c1nc(Cl)ccc1Cl 8707040 AUSTZTKTKQHVEJ-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB COc1ccc(C)cc1C(=O)Nc1cccc(C(F)(F)F)c1 9218624 OVRLANXYKGQMAZ-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB Cc1nc(NC(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl 9481384 FKAYGJXUTHUIDR-UHFFFAOYSA-N 314.147 4.480 0 40 DIAB CCCCCC(=O)Nc1ccc(NC(=O)CCCC)c(OC)c1 13839686 HNFAVDNGIRIOSD-UHFFFAOYSA-N 320.433 4.343 0 40 DIAB CCCCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1 14238696 PMFDPVKVQNOSEH-UHFFFAOYSA-N 307.394 4.120 0 40 DIAB CCOC(=O)[C@H]1Sc2ccccc2N[C@H]1c1ccc(F)cc1 27526294 ZYEVIBONAYZRHO-HOTGVXAUSA-N 317.385 4.016 0 40 DIAB Cc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 27742226 WLNSPJKCBDBYAE-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB c1ccc(C[C@@H](c2cccc3ccccc23)N2CCOCC2)cc1 31962169 FIVPTTNCAKAAAB-QFIPXVFZSA-N 317.432 4.456 0 40 DIAB C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)s1 32037800 AXYSDGLHTLZLQI-LHLIQPBNSA-N 312.649 4.163 0 40 DIAB O=C(c1ccccc1F)N(Cc1ccc2[nH]ccc2c1)C1CC1 32104609 XDNXPMHVLDSXCW-UHFFFAOYSA-N 308.356 4.112 0 40 DIAB CCN(C(=O)Nc1ccccc1)c1nnc(-c2ccc(C)cc2)o1 35315276 UQOVUPJFYFQECP-UHFFFAOYSA-N 322.368 4.103 0 40 DIAB Cc1ccc(C)c(NC(=O)NCCSc2ccccc2)c1 40095003 IRNWTMCBCOOUTD-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB Cc1ccsc1C(=O)N(C)Cc1ccccc1Br 40160389 JWVFNSPPEIHGBI-UHFFFAOYSA-N 324.243 4.091 0 40 DIAB CCCOc1ccc(CNC(=O)Nc2ccc(CC)cc2)cc1 44845398 AMURQTODELAVGF-UHFFFAOYSA-N 312.413 4.360 0 40 DIAB O=C(Nc1ccccc1CN1CCCC1)c1ccc2cc[nH]c2c1 55343760 XIZNNTQEVUAPJT-UHFFFAOYSA-N 319.408 4.016 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1N 57340386 XERPCSJHYUBNIR-UHFFFAOYSA-N 302.377 4.497 0 40 DIAB CCC[C@H]1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 58417737 VUCDEXWRLSPLLZ-AWEZNQCLSA-N 314.429 4.219 0 40 DIAB C[C@@H]1CCc2[nH]c3c(C(=O)OCc4ccccn4)cccc3c2C1 58720910 UBICWMSRZKAHDM-CYBMUJFWSA-N 320.392 4.045 0 40 DIAB C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](c1ccccc1)C1CCC1 69848917 PFGVITSCNSIOBD-BEFAXECRSA-N 323.440 4.325 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)c1cc(F)ccc1Cl 72331792 PJLYPFDEWWXJAJ-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1nc2nc(S[C@H]3CCCc4ccccc43)nn2c(C)c1C 84057735 OOSOYEHXWOIZRG-INIZCTEOSA-N 324.453 4.219 0 40 DIAB COc1ccccc1NC(=O)c1cccc(-c2csc(C)n2)c1 95962060 IRXFQZVEKOSJCS-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1ccoc1CNc1nnc(SCc2ccccc2)s1 97379281 LFWDLWOKMFDEPK-UHFFFAOYSA-N 317.439 4.344 0 40 DIAB FC(F)(F)c1cccnc1-c1ccc2c(Cl)ncnc2c1 144867928 BLXRYAYCIQJTMI-UHFFFAOYSA-N 309.678 4.364 0 40 DIAB CC(C)c1cc(Br)ccc1-n1cccc1C(=O)O 223735022 OBOFKGSSFGMQBH-UHFFFAOYSA-N 308.175 4.061 0 40 DIAB Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224713446 IHPNZBNDVIBKHM-UHFFFAOYSA-N 323.845 4.090 0 40 DIAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1C)C(=O)O 225073074 CRKUYRZXZRAMFI-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(Br)ccc1N[C@@H]1OC(=O)c2ccccc21 91756 OUUWUFVTWRUAMK-CQSZACIVSA-N 318.170 4.039 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC(C)C)cc1 514111 YLCYKZCPXARECW-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc12 1094357 PWDTXJJCWLYPRC-HIFRSBDPSA-N 314.454 4.022 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(Cl)s2)C1=O 1162162 NLIVGMUSTNNFES-WRDFDADTSA-N 301.820 4.236 0 40 DIAB CCC(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340695 KMLMVRFMGDEMDY-UHFFFAOYSA-N 308.333 4.084 0 40 DIAB biogenic CC1=C(C)C[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H](C(=O)O)C1 4651535 CUMYYBACRQOPSC-IRXDYDNUSA-N 315.413 4.196 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 4775588 JFQMKCWPZYHJAE-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB Cc1noc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1 5354291 VEWLCVCFFUWPRU-UHFFFAOYSA-N 301.729 4.382 0 40 DIAB biogenic O=C(Nc1nc2ccccc2s1)c1cc(F)c(F)cc1Cl 6270898 JUBUINFVOFWRDV-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB CCCCN1C(=O)C(C)=C(C)[C@@H]1Sc1ccc(OC)cc1 6592394 XQPNTFHLOBNXQI-KRWDZBQOSA-N 305.443 4.092 0 40 DIAB Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 6945769 WEQHUQOERGLACU-UHFFFAOYSA-N 306.409 4.115 0 40 DIAB Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112644 XANRNMYEPSUMKT-QGZVFWFLSA-N 324.405 4.416 0 40 DIAB Cc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1 8411769 FBZNSPAZLCYHAH-UHFFFAOYSA-N 312.438 4.328 0 40 DIAB CCCN(C(=O)c1ccc(NC(C)=O)cc1)c1cccc(C)c1 9095420 ZQRRNAXSFRLCGH-UHFFFAOYSA-N 310.397 4.010 0 40 DIAB Cc1ccc(CSCC(=O)N2c3ccccc3C[C@H]2C)cc1 10449639 QJWNAFYXRHBLKL-OAHLLOKOSA-N 311.450 4.206 0 40 DIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)C1CCCC1 11524027 JXBPLQMVLOTAEY-UHFFFAOYSA-N 315.442 4.025 0 40 DIAB Cc1cccc(C)c1OCCCCn1c(C=O)nc2ccccc21 11735040 SJFHIJJZOHOVPZ-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB CCOc1ccc(NCc2cc3cc(CC)ccc3[nH]c2=O)cc1 12144312 BMBJVYSXPAADMX-UHFFFAOYSA-N 322.408 4.101 0 40 DIAB O=C(Nc1ccccc1F)N[C@H]1CCSc2c(F)cccc21 12747002 CQWWBJICXYSYBR-ZDUSSCGKSA-N 320.364 4.323 0 40 DIAB CCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 13632407 YXWVOIPSUBAAKS-KPKJPENVSA-N 315.800 4.068 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@H](c2cccs2)CC(=O)N3)C1 15085202 NGZJCMMKHFMZST-ONGXEEELSA-N 303.452 4.409 0 40 DIAB Cc1cccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)c1 16846264 XLXJKBZJBOIBJU-UHFFFAOYSA-N 316.364 4.411 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 17192715 YUHUPQOJSQYNQE-MHGIMSBQSA-N 308.381 4.307 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2ccc(F)c(F)c2)on1 19120238 XBERGOHEPPTHOU-INIZCTEOSA-N 306.356 4.379 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C)cc1 20490371 HTBXHHJZRMVCGX-INIZCTEOSA-N 317.816 4.122 0 40 DIAB O=C(O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 20526494 JLSNLCSXTWKNGX-FPYGCLRLSA-N 306.720 4.156 0 40 DIAB Cc1ccccc1CN(C)C(=O)CCCc1c[nH]c2ccccc12 23054492 AUGSBLACTALPLI-UHFFFAOYSA-N 320.436 4.458 0 40 DIAB Cn1ccnc1SCc1coc(-c2cccc(Cl)c2)n1 26015604 CJQIZSWOXRWVSN-UHFFFAOYSA-N 305.790 4.021 0 40 DIAB CN(C(=O)c1ccc2ccccc2n1)c1nc2ccccc2s1 26955160 JXQFWNLMAGYGTF-UHFFFAOYSA-N 319.389 4.121 0 40 DIAB Cc1ccc(CN[C@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 30644370 IATBQHMMQRNPDI-LJQANCHMSA-N 323.415 4.055 0 40 DIAB O=C(c1ccc(Cl)s1)N1CC=C(c2ccccc2)CC1 30995806 OJHVQKYSAYMDOA-UHFFFAOYSA-N 303.814 4.331 0 40 DIAB CCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622538 UFHKALHCKFPWFG-UHFFFAOYSA-N 307.353 4.061 0 40 DIAB Cc1[nH]c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2c1C 32722174 UJDNAKHIYBIYJQ-SFHVURJKSA-N 320.392 4.038 0 40 DIAB COc1cc([C@@H](C)NC(=O)C[C@H]2C=CCC2)ccc1OC(C)C 32914547 KYYAUFHXNMNCEQ-CABCVRRESA-N 317.429 4.016 0 40 DIAB COc1ccc([C@H]2CCN(C(=O)Nc3cc(C)cc(C)c3)C2)cc1 38566782 IYOQVSBHUOEHKB-KRWDZBQOSA-N 324.424 4.333 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C 44883476 KBUBSSXASWZVOD-IBGZPJMESA-N 311.425 4.086 0 40 DIAB CC(C)Sc1ccccc1C(=O)NCc1ccc(F)cc1 49936105 HOTMOUXUGLMMKB-UHFFFAOYSA-N 303.402 4.256 0 40 DIAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]1c1ccsc1 52803639 FNRJSDNSXYYKNR-MLGOLLRUSA-N 318.417 4.051 0 40 DIAB O=C(c1ccc(-c2cnco2)cc1)N1CCSc2ccccc21 58044792 JMKMQDDMIOXCSG-UHFFFAOYSA-N 322.389 4.094 0 40 DIAB Brc1cc(Sc2ccccc2)c2nonc2c1 66089229 UROBUIYUNJLVJP-UHFFFAOYSA-N 307.172 4.137 0 40 DIAB CC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 71792108 SPUGYYXXQRGIKI-UHFFFAOYSA-N 308.303 4.036 0 40 DIAB CCSc1nnc(SC[C@H]2OCCc3ccccc32)s1 71908484 LVKOEEQWNAHGOZ-GFCCVEGCSA-N 324.496 4.056 0 40 DIAB Clc1cc2c(cc1SCc1cnoc1C1CC1)OCCO2 95435771 HHDJQOJVOPNSFP-UHFFFAOYSA-N 323.801 4.269 0 40 DIAB COc1cccc2cc(C(=O)Nc3ccc(F)c(Cl)c3)oc12 97255965 HLEOGFXNJOCUFO-UHFFFAOYSA-N 319.719 4.486 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 113959529 XGBWFRVMRHVFCO-WOJBJXKFSA-N 323.436 4.346 0 40 DIAB CCOc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 222582983 MLOLXXCVNMGUTB-UHFFFAOYSA-N 313.441 4.092 0 40 DIAB Cc1cccc(OCC(=O)NCc2ccc3ccccc3c2)c1C 222815154 FMXATSWJBWVRHB-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB Cc1cccc(CCCNC(=O)c2ccc(Cl)cc2F)c1 223339484 RBWJPWUAJRYMHH-UHFFFAOYSA-N 305.780 4.150 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 225314070 KRKIUHIMAVOEDE-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 260897373 IKPGIDCIZJNNDI-ZIBATOQPSA-N 312.240 4.231 0 40 DIAB Cc1ccccc1C1=N/C(=C/c2ccc3ccccc3c2)C(=O)O1 58898 ALEYGQJTNIRNJG-CPNJWEJPSA-N 313.356 4.493 0 40 DIAB CC(=O)OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 165343 FWVIPIDZMKTUNR-UHFFFAOYSA-N 300.301 4.497 0 40 DIAB CCc1ccccc1NC(=O)COc1cccc2ccc(C)nc12 382029 BMLZAACYBUIMKE-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB COC(=O)c1cn(CCOc2cc(C)ccc2C)c2ccccc12 555752 KYELWGYPFPABSI-UHFFFAOYSA-N 323.392 4.124 0 40 DIAB CN(C)CCOC(=O)C1(CCC2CCCCC2)CCCCC1 1719238 AQENSYDDMUDGBI-UHFFFAOYSA-N 309.494 4.402 0 40 DIAB Cc1ccc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2c1 2627973 MIPNZJZYTFBLOG-UHFFFAOYSA-N 321.405 4.267 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2ccccc21 3200143 KTLSVPONIZTUTC-UHFFFAOYSA-N 313.400 4.485 0 40 DIAB CCCSc1nnc(-c2ccncc2)n1-c1ccccc1C 3305716 VTBNLPMUVDWZBU-UHFFFAOYSA-N 310.426 4.140 0 40 DIAB Cc1ccc(C(=O)[C@H](Cc2ccccc2)N2CCCCC2)cc1 3384308 LSFGKUCFFMPDOS-FQEVSTJZSA-N 307.437 4.275 0 40 DIAB Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c(C)c1 4310097 RHXZXFWCBUOSHO-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB COc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 5033014 SDQBDGHZDFUNLK-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1ccccc1Cl 5328236 LSHFLRQQOZHBNO-QUKJUQPQSA-N 309.752 4.350 0 40 DIAB Cc1c(-c2ccccc2)n(O)c(-c2ccc(C(C)C)cc2)[n+]1[O-] 5533110 XSVZLDIZJUZYRK-UHFFFAOYSA-N 308.381 4.125 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CN1CCCc2ccccc21 5688566 YDVHLYKRLFNKIR-UHFFFAOYSA-N 314.816 4.040 0 40 DIAB Cc1cc(C)c2c(O)c(CN(C)Cc3ccccc3)c(C)nc2c1 8571815 KXLDUZBWUUMKHG-UHFFFAOYSA-N 320.436 4.498 0 40 DIAB NC(=O)c1ccc(CSCc2cccc3ccccc23)cc1 9584830 VKFISAWDNSYTER-UHFFFAOYSA-N 307.418 4.372 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C)cn3)ccc2c1 12544983 KUJWTVQUGTZVCE-AWEZNQCLSA-N 320.392 4.294 0 40 DIAB O=C(C[C@H]1C=CCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 12869464 WOHDHBYNIQKQKV-JTQLQIEISA-N 320.364 4.383 0 40 DIAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 12997415 LHOYYBKFZSPMTJ-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB FC(F)(F)c1ccc(NC(=S)NCc2ccccc2)cc1 13685079 LEDZWWUAKQLVCK-UHFFFAOYSA-N 310.344 4.192 0 40 DIAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 14168808 UDRVBQWACOSHRI-UHFFFAOYSA-N 324.207 4.274 0 40 DIAB CCn1ncc(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C 19523923 UXBMIMQTOMEVBN-HXUWFJFHSA-N 323.484 4.371 0 40 DIAB Cc1ccccc1[C@H](C)N[C@@H](C)c1nnc(-c2ccccc2)o1 24518927 BFMGUSOGKFBVQE-GJZGRUSLSA-N 307.397 4.457 0 40 DIAB O=C(NC1CCC(c2ccccc2)CC1)c1n[nH]c2ccccc12 25647126 DSIUTGXKORHYSV-UHFFFAOYSA-N 319.408 4.019 0 40 DIAB Cc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)s1 30314855 NOCPNDVATSVJPA-SNVBAGLBSA-N 308.834 4.247 0 40 DIAB COC(=O)c1c(CCCc2cccc(Cl)c2)cccc1OC 35973470 IMLWKEYLTYACEH-UHFFFAOYSA-N 318.800 4.311 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 40097115 JSUNECUFIGYMAO-PHIMTYICSA-N 316.323 4.095 0 40 DIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccco3)cn2)c1 40112433 WVXAIITYSDXQPQ-UHFFFAOYSA-N 322.364 4.014 0 40 DIAB CN(Cc1ccccn1)C(=O)c1sc2ccccc2c1Cl 59898915 LEQITIGGRANDAD-UHFFFAOYSA-N 316.813 4.222 0 40 DIAB O=C(O)c1cccc(-c2nc(-c3ccc4c(c3)COC4)cs2)c1 69096087 LZJCHIBVKYTWAX-UHFFFAOYSA-N 323.373 4.206 0 40 DIAB Cc1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3O)nc2c1 70462054 PKVJSQIXVGDYMG-UHFFFAOYSA-N 324.380 4.493 0 40 DIAB C[C@@H](Cc1ccco1)NC(=O)CCCC[C@H]1CCSS1 73563085 AUEOXUGMCOYCSC-JSGCOSHPSA-N 313.488 4.041 0 40 DIAB Cc1cc(C)n(CC2CCN(Cc3cccc(Cl)c3)CC2)n1 75154725 AYHOBRXDMNVLCL-UHFFFAOYSA-N 317.864 4.066 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1 77893044 USDFMIBZMDWORN-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(CC)cc2)cc1 78457833 UUIBFTKDQSHDCW-HNNXBMFYSA-N 311.425 4.068 0 40 DIAB CCCC[C@H](CC)CCN[C@@H]1CCC[C@H]([S@@](=O)CC)C1 89953317 FUCBSMQHBJPZGH-PFRQMTDMSA-N 301.540 4.262 0 40 DIAB Cc1ccc([C@@H](CN[C@H](C)CSC(C)(C)C)N2CCCC2)o1 97016743 GQVIHCFILKMKMY-GDBMZVCRSA-N 324.534 4.235 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)Cc3nccs3)s2)o1 97237765 ILDUTDGULLFNPC-UHFFFAOYSA-N 318.423 4.045 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100333081 QAUXTLSTIJIAJC-BLTAXRJOSA-N 309.862 4.125 0 40 DIAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc3ccccc23)C1 106551676 FSIXEABZFZUHLX-BZUAXINKSA-N 310.441 4.145 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccccc1 222943581 GBKKXZHNLAEDIX-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 223541246 QZMQUZIXGBRVFD-OAHLLOKOSA-N 324.424 4.084 0 40 DIAB Cc1cccc(Nc2ccc(NC(=S)NCC(C)C)cn2)c1 223879684 VXVHQMQJGVMPQQ-UHFFFAOYSA-N 314.458 4.076 0 40 DIAB CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1C 224523874 UVMDUFGXAHLFEU-UHFFFAOYSA-N 321.486 4.189 0 40 DIAB CC[C@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1 225179465 DHUFJTWGAWQFBK-JTQLQIEISA-N 305.472 4.203 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)cc1 225617611 MKURCFLBFPOWRM-SFHVURJKSA-N 307.434 4.255 0 40 DIAB S=C(NCCCc1cccc2ccccc12)Nc1ccncc1 225809559 ZHXKKASQAURMRR-UHFFFAOYSA-N 321.449 4.154 0 40 DIAB Cc1cc(N)c(NC(=O)c2cc3ccccc3o2)cc1Cl 226347226 YNXXQGQILOHCKC-UHFFFAOYSA-N 300.745 4.229 0 40 DIAB CC(C)(C)OC(=O)N1CC/C(=C\c2ccccc2)C(F)(F)C1 396139335 RWRYFXWAAVWEGS-SDNWHVSQSA-N 309.356 4.346 0 40 DIAB CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C 575473225 OIFLGTCGHIBICZ-NSHDSACASA-N 313.397 4.108 0 40 DIAB O=C(C1CCC(F)(F)CC1)N1CC2(CC(c3ccccc3)C2)C1 1889136032 DIXLSLSFGKEIOB-UHFFFAOYSA-N 319.395 4.218 0 40 DIAB Cc1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 62689 YGMBHYIYSMJKBN-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1 75464 QNFYDIBAKVERIS-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC 119851 ZPCHEIYWHUZDBW-ZRDIBKRKSA-N 311.381 4.054 0 40 DIAB CCN(CC)[C@H](C)[C@@H](O)c1cc2c(c3ccccc13)CCCC2 1687282 OJOOGONWKGNBDZ-QVKFZJNVSA-N 311.469 4.482 0 40 DIAB O=c1c2ccccc2c(Cc2ccccc2)nn1C1CCCC1 1691525 LOEZFMKCZJQTTJ-UHFFFAOYSA-N 304.393 4.102 0 40 DIAB CCCN(CCC)C(=O)C[C@H](c1ccc(OC)cc1)C(C)C 2447817 FPYQXZODMUJRPI-SFHVURJKSA-N 305.462 4.474 0 40 DIAB CCc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 3100250 XRURGHSKUGXWNA-UHFFFAOYSA-N 324.449 4.197 0 40 DIAB CC1=Nc2ccccc2Sc2c1c(=O)n(C)c1ccccc21 3846450 RNXFBOYKTOZRTG-UHFFFAOYSA-N 306.390 4.144 0 40 DIAB biogenic O=C(CC1CCCC1)NCCc1csc(-c2ccccc2)n1 4166976 VBFKXGMMXBMDKS-UHFFFAOYSA-N 314.454 4.049 0 40 DIAB Cc1ccccc1Nc1nc(C(=O)N2CCC(C)CC2)cs1 4688463 AKKXAOYKJWXZJZ-UHFFFAOYSA-N 315.442 4.067 0 40 DIAB O=C(/C=C\c1ccccc1)n1nnc2cc(Cl)c(Cl)cc21 5493293 PDURQTMDEIKOGS-SREVYHEPSA-N 318.163 4.092 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2ccc(F)c(F)c2)cc1 5679794 KREHOBWFIWMNFD-UHFFFAOYSA-N 305.324 4.071 0 40 DIAB Cc1ncsc1CCOC(=O)CC12CC3CC(CC(C3)C1)C2 5724607 QXUMBCGLODEQLZ-UHFFFAOYSA-N 319.470 4.144 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1 6281719 BXQIAYMIOWYCGX-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB investigational CC(=O)c1cccc(NC(=S)N2CCCc3ccccc32)c1 6511644 FMEXHXWMEYTHFQ-UHFFFAOYSA-N 310.422 4.039 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 6790681 PQFRLYOBQXAMGL-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB CCCOc1ccc(C(=O)NCc2ccccc2Cl)cc1 7668729 WOXDJLDJAGVLBG-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB CCCc1cc(O)nc(SCc2nc3ccccc3s2)n1 8665960 XHRJWSHYELOYAT-UHFFFAOYSA-N 317.439 4.037 0 40 DIAB O=C(NCCCOc1ccccc1)c1cccc(Cl)c1Cl 11085990 HQFXPRXSHAEEBG-UHFFFAOYSA-N 324.207 4.192 0 40 DIAB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1C 11288249 JRCKZVRFTRFKTF-GZTJUZNOSA-N 320.392 4.166 0 40 DIAB C[C@@H](NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1 12770547 SINIBXNAAYRPLV-SNVBAGLBSA-N 324.758 4.179 0 40 DIAB COc1ccc2oc(C(=O)Oc3cccc(F)c3)c(C)c2c1 13021020 OINZXZCZUIQUOR-UHFFFAOYSA-N 300.285 4.108 0 40 DIAB Cc1ccccc1OCc1n[nH]c(=S)n1C1CCCCC1 13535177 ACJHFAAVTURILM-UHFFFAOYSA-N 303.431 4.333 0 40 DIAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1Cl 13935153 XLOHQEAEWJJEHW-NSHDSACASA-N 320.845 4.396 0 40 DIAB O=C(Oc1cccc(F)c1)c1cc(C2CC2)nn1-c1ccccc1 15356110 PNINGVQYKMWPJA-UHFFFAOYSA-N 322.339 4.108 0 40 DIAB O=C(NCCc1cccs1)c1cccc(Cl)c1Cl 17909541 LMRDKXABVMQZMX-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB O=C(NCCc1cccs1)c1cc(Cl)ccc1Cl 17909542 XQXICBSFFDJHPG-UHFFFAOYSA-N 300.210 4.027 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 20038183 MAVOLSAFKPAWDH-HNNXBMFYSA-N 311.425 4.398 0 40 DIAB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20137507 HFDFCQDEZHYUSR-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB COc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1 23410381 MTYLCFIRWRVDMQ-UHFFFAOYSA-N 310.353 4.098 0 40 DIAB O=C(O)c1ccc(C(=O)CSc2ccccc2Cl)cc1 28527122 WZAYZAJRNFPYCT-UHFFFAOYSA-N 306.770 4.013 0 40 DIAB O=C(CC[C@@H]1CCCO1)Nc1ccc2c(c1)Cc1ccccc1-2 32816045 JTBJOEVKWLSOLX-KRWDZBQOSA-N 307.393 4.156 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccccc2)C1 36356943 YBAQTIUMJHPAGI-CYBMUJFWSA-N 313.426 4.257 0 40 DIAB CCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57336677 HTINKADYTIPQGV-AGXSTUJCSA-N 311.469 4.441 0 40 DIAB Cc1cc2c(cc1C(=O)Nc1ccc(Cl)cc1)OCCCO2 65315013 ZARDJLQYQSZQHC-UHFFFAOYSA-N 317.772 4.062 0 40 DIAB Cc1ccc(-c2ccnc(N[C@@H](C)c3ncccc3C)n2)c(C)n1 71746228 AMGBCNGJWKNMQD-HNNXBMFYSA-N 319.412 4.032 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cc1 72221504 QJAALYVVQQJRBY-SFHVURJKSA-N 311.381 4.169 0 40 DIAB CCOc1ccccc1CNC(=O)c1ccc(Cl)c(Cl)c1 72331417 ZPGOUIPHPSFUDH-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2sccc2C)cc1 74518705 LUWCPGBRRLNNGG-JKSUJKDBSA-N 315.438 4.015 0 40 DIAB COCc1nc(CNc2ccc(SC)c(Cl)c2)cs1 95429028 WFUOZBCIMACADD-UHFFFAOYSA-N 314.863 4.277 0 40 DIAB O=C(CCSCc1ccccc1)NCCCc1ccccc1 218995381 ZZFPOZCYSNZINH-UHFFFAOYSA-N 313.466 4.059 0 40 DIAB NCCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 222683660 XXIVTMNTMBIYHK-UHFFFAOYSA-N 313.788 4.051 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1ccccc1 222976405 QMAYHYIMEBDKRI-LJQANCHMSA-N 311.425 4.119 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225061568 YIJZSBBZYFYRNC-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1 225621706 YNKDOOKLFBRBES-GOSISDBHSA-N 307.434 4.398 0 40 DIAB CCc1cc(N)cc(Br)c1N(C)c1ccccc1 226316121 PQDOFXYDZVZTJD-UHFFFAOYSA-N 305.219 4.362 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1C[C@H]2CC[C@H]1C2 514995860 MDCLEVNDCZMVNH-MJVIPROJSA-N 300.789 4.263 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 365135 FZFKKTLJUQWGCU-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CC(C)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 508069 KDHONSYOOIASAQ-VIFPVBQESA-N 307.488 4.146 0 40 DIAB CC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 516363 FLNJHCYRJIMURB-UHFFFAOYSA-N 311.381 4.030 0 40 DIAB Cc1cc(C)n(C(=O)CC(c2ccccc2)c2ccccc2)n1 2737559 MSFYJQMWCPXNTN-UHFFFAOYSA-N 304.393 4.362 0 40 DIAB C[C@H](NC(=O)COc1cccc(Cl)c1Cl)c1ccccc1 3445017 AEAHPNIVJWHJQM-NSHDSACASA-N 324.207 4.250 0 40 DIAB Cc1cc(C)c2sc(NC(=O)c3cccc(F)c3)nc2c1 4330861 NNEQGFXAPGJZKH-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB COc1ccc(-c2cn3cc(-c4ccc(C)cc4)nc3n2C)cc1 4678684 OQPREBAESPCCBI-UHFFFAOYSA-N 317.392 4.324 0 40 DIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 4777194 CAVYSZVMJNWDIL-CQSZACIVSA-N 313.422 4.317 0 40 DIAB O=C(Nc1n[nH]c2cc(Cl)ccc12)c1ccc(Cl)cc1 5613890 QACYZJSZIJWGME-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB CCCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 6655480 JHZAHANBLSHGQE-UHFFFAOYSA-N 307.349 4.402 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cccc(Cl)c1Cl 8500188 AIXXKEJZMDTGRD-UHFFFAOYSA-N 322.147 4.492 0 40 DIAB CCOc1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1 8903552 ORCQPGZSJXCPOS-UHFFFAOYSA-N 314.776 4.267 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c(C)c1 9113232 SDZYJLOVKFKCJH-GFCCVEGCSA-N 304.340 4.021 0 40 DIAB Cc1c(C(=O)O)sc2nc(-c3ccc(C(C)C)cc3)cn12 11757379 YIBVTKUBDLKMPI-UHFFFAOYSA-N 300.383 4.193 0 40 DIAB Cc1cc(C)cc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 12994684 GPTVHMCWZDOEBS-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB COc1ccccc1[C@@H](CC(=O)Nc1cccc(C)n1)C(C)C 13691679 LLKVXQBESYPGGO-INIZCTEOSA-N 312.413 4.167 0 40 DIAB COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1C(C)(C)C 13780159 WBDQHTACMQEIFX-PTNGSMBKSA-N 307.393 4.485 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccccc1 15652734 XWVBOZQJIVVWJG-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CC(C)[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1cccs1 16172438 HFIBMGZPJHBCDC-QGZVFWFLSA-N 313.422 4.037 0 40 DIAB CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c1C 23184606 CSUZZKZVSIIXQN-LJQANCHMSA-N 310.441 4.274 0 40 DIAB Cc1sc2nc(Cl)n3nc(-c4ccccc4)nc3c2c1C 32069654 RFBMOMWZEIDJAH-UHFFFAOYSA-N 314.801 4.276 0 40 DIAB Cc1nc2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2nc1C 32740607 IFWMUDRDZKMCOL-ZDUSSCGKSA-N 313.445 4.191 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 32870438 KFZGZJBFNJKREV-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 32998002 IVKFSFTWALNPEC-KFWWJZLASA-N 324.468 4.411 0 40 DIAB CCc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 33889432 ASARAWRSNVJSBQ-OVWALXMSSA-N 300.442 4.172 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c(C)c1 40525378 LZBGZJQHPNVERP-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21C 44062758 VWAUPFMBXBWEQY-NCYKPQTJSA-N 310.437 4.276 0 40 DIAB in-vitro CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 66191798 UFVYXSFNYHTJMF-UHFFFAOYSA-N 322.330 4.170 0 40 DIAB Cc1ccccc1CC(=O)O[C@H](c1ccccc1)c1ccccn1 71834002 AKGJLVSFQRHZDA-OAQYLSRUSA-N 317.388 4.265 0 40 DIAB CC[C@H](Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 71909501 PCSWONIUOLMVAY-NRFANRHFSA-N 324.468 4.207 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72214930 WZXQEGHZRYHBLE-HNNXBMFYSA-N 319.449 4.046 0 40 DIAB Cc1noc(C)c1[C@H](C)Nc1ncnc2sc(C)c(C)c12 72946923 MQSUIICVVUWGJC-QMMMGPOBSA-N 302.403 4.086 0 40 DIAB Nc1cc(-c2nc3cc(Cl)cnc3o2)c(Cl)cc1Cl 78406903 XOQLQTOFNFNELF-UHFFFAOYSA-N 314.559 4.432 0 40 DIAB Cc1nnc([C@@H](C)NCC2(c3ccc(F)cc3)CCCCC2)o1 79029805 PULYQVVBYLGGSZ-CYBMUJFWSA-N 317.408 4.070 0 40 DIAB Cc1nnc([C@H](C)NCC2(c3ccc(Cl)cc3)CCCC2)o1 79029826 CZWOQKXIFLMJMK-LBPRGKRZSA-N 319.836 4.194 0 40 DIAB CC(C)C[C@@H]1SCC(O)=Nc2c1cnn2-c1ccc(F)cc1 79494136 BQTVAWLVZMWBHA-AWEZNQCLSA-N 319.405 4.433 0 40 DIAB Clc1cccc2c1CC[C@@H]2N1CCC(CN2CCCC2)CC1 84445435 HCXWYJOXDGVDOW-IBGZPJMESA-N 318.892 4.135 0 40 DIAB CO[C@H](C)c1cccc(NCc2nccn2Cc2ccccc2)c1 88532831 NDZXFRHKKFZVMM-MRXNPFEDSA-N 321.424 4.251 0 40 DIAB Nc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1 89262405 LNYUIJZGOMYZIS-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB C[C@@H](C(=O)Nc1cccc2ccccc12)n1cnc2ccccc21 89573956 BFYZBHHCLFDQME-AWEZNQCLSA-N 315.376 4.389 0 40 DIAB CC(C)(C)c1ccc(-c2nc([C@@H](N)Cc3ccccc3)n[nH]2)cc1 95534909 KAGMCURQTJEWAJ-KRWDZBQOSA-N 320.440 4.012 0 40 DIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CC=CCC1 95995097 ZIYICQPCLRLXBK-UHFFFAOYSA-N 318.829 4.174 0 40 DIAB Cc1cccc(CCCNC(=O)c2ccccc2OC(C)C)c1 219739674 HEDOVQIVJGDEFM-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB CCc1ccc(CC(=O)NCCSc2ccc(C)cc2)cc1 223335364 YKFQHGQTHLDXBZ-UHFFFAOYSA-N 313.466 4.008 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)c(C)c1 223831930 CICJUTVPVVVGQO-UHFFFAOYSA-N 311.425 4.236 0 40 DIAB O=C(CCc1ccccc1Cl)NCCSC1CCCC1 223875936 NXVCYJIOQVSJCS-UHFFFAOYSA-N 311.878 4.065 0 40 DIAB CCC1(CC)C[C@@H](NC(=O)Cc2ccccc2)c2ccccc2O1 224367197 MKQITTJVHVTPMT-GOSISDBHSA-N 323.436 4.428 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 224621358 SZNQUQGZLMADPO-INIZCTEOSA-N 307.821 4.114 0 40 DIAB CCOC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429008 IXDONHDLJYHHEU-UHFFFAOYSA-N 324.302 4.208 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589274 ITLVZDRCJPVFPV-MRVPVSSYSA-N 310.608 4.173 0 40 DIAB Cc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225841362 BUHLAEJPSOGYSN-UHFFFAOYSA-N 300.427 4.344 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260616379 JRZIODGUNWWWTN-RHSMWYFYSA-N 303.446 4.429 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(C)ccc2[C@H](C)CC1(C)C 260624797 USZLGCZWFINSHK-GDBMZVCRSA-N 303.446 4.429 0 40 DIAB CCCSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 409100445 WCERDGXTRIVRIB-UHFFFAOYSA-N 310.426 4.140 0 40 DIAB CC(C)C[C@@H](C(=O)Nc1cccc2cccnc12)n1cccc1 575442951 DVVQJSQVGNNPGV-KRWDZBQOSA-N 307.397 4.262 0 40 DIAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OC(C)=O 406874 VEWAFXQYBOFSSM-UHFFFAOYSA-N 322.360 4.338 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NC1C2CC3CC(C2)CC1C3 568763 GZPDXBCFTGCDEZ-ZZXKWVIFSA-N 315.844 4.294 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)c1ccccc1Br 1020850 DDDRVGVYZGDDCJ-UHFFFAOYSA-N 312.251 4.394 0 40 DIAB CCCCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 2217408 MNAYOPQIYGSSHU-UHFFFAOYSA-N 323.487 4.017 0 40 DIAB CCCCCn1c([C@@H](C)NC(=O)C(C)(C)C)nc2ccccc21 2460877 ZVWXLLBNJBBWOE-CQSZACIVSA-N 315.461 4.450 0 40 DIAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)Sc1ccccc1F 3421733 ODWDGFSQXALBDS-VXGBXAGGSA-N 321.421 4.113 0 40 DIAB C[C@]1(CO)CCC[C@]2(C)[C@@H](CCc3ccoc3)[C@H](CO)CC[C@@H]12 4073759 XAXWAJGTWLGWSN-WKWVNEEDSA-N 320.473 4.036 0 40 DIAB biogenic Cc1cc(C)c2nc(NC(=O)Cc3ccc(F)cc3)sc2c1 5268282 ICXKRLCRRDGXIS-UHFFFAOYSA-N 314.385 4.233 0 40 DIAB CC(C)CCNC(=O)CCCOc1ccc(Cl)cc1Cl 5632823 MZYRTAZRUYYRGS-UHFFFAOYSA-N 318.244 4.315 0 40 DIAB O=C(COc1ccccc1)Oc1ccc(-c2ccccc2)cc1 5775737 KEVUZPOWGZOBKT-UHFFFAOYSA-N 304.345 4.338 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1 6966390 USAMZPZVDJXLHV-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB Cc1cccc(-c2noc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2)c1 7424954 SBIWVABDEDKOKL-UHFFFAOYSA-N 320.327 4.241 0 40 DIAB O=C(c1ccco1)N(CCc1ccccc1)Cc1cccs1 8230593 ZGBHRXXNLSSFJD-UHFFFAOYSA-N 311.406 4.226 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8429746 HZDFONBTPWUWOR-UHFFFAOYSA-N 323.392 4.218 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 8907584 GOEPUGNDSQOHOE-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB Cc1ccc(-c2cc(CC(=O)Nc3ccc(C)c(F)c3)no2)cc1 12422154 SDKDDLXVGFAHSH-UHFFFAOYSA-N 324.355 4.279 0 40 DIAB O=C(NCCCc1ccc(Cl)cc1)c1ccccc1Cl 13648711 LDYKEQWRHBWUDV-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Cc1ccc(-c2c[n+](Cc3ccccc3C)c3n2CCC3)cc1 13787052 BJCBCOOCGKOJPS-UHFFFAOYSA-N 303.429 4.054 0 40 DIAB Fc1cccc(CSc2nc(/C=C/c3cccs3)n[nH]2)c1 14333359 QSDQXWAJRUVBPG-VOTSOKGWSA-N 317.414 4.468 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSC(C)(C)C 20484077 GHFOPHJGCCEHKI-CQSZACIVSA-N 323.502 4.225 0 40 DIAB CCc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 22254821 DYCWZJBOYKBGTL-UHFFFAOYSA-N 312.394 4.120 0 40 DIAB S=c1sc2ccccc2n1CN1CCc2ccccc2C1 23479631 OIQKCEWOXMSVQY-UHFFFAOYSA-N 312.463 4.448 0 40 DIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1Cl 23996823 VMDSBEFTUWUUOZ-SFHVURJKSA-N 322.795 4.254 0 40 DIAB CCN(CC)Cc1cccc(NC(=O)c2ccccc2Cl)c1 24928657 LRCOFPJQVNNHMY-UHFFFAOYSA-N 316.832 4.434 0 40 DIAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)C1CCCC1 27923184 MQEAXDAAUINXER-UHFFFAOYSA-N 319.408 4.213 0 40 DIAB CCc1cccc(C)c1NC(=O)c1ccn(-c2ccc(F)cc2)n1 32833067 CIYYWKAPWQVGAY-UHFFFAOYSA-N 323.371 4.135 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccncc1 32907464 WCBRRIJYWISPOS-HXUWFJFHSA-N 316.404 4.141 0 40 DIAB COC(=O)c1cc(Nc2cccc(C)c2)c2cccc(F)c2n1 38486813 HMSKNAQPKOEFPI-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(F)cccc1F 38755156 HDLJEELNTWLBBG-CQSZACIVSA-N 305.324 4.069 0 40 DIAB O=C(Nc1cccc(Cl)c1F)N[C@H]1CCOc2ccccc21 40023901 PZMKKJFNZGDNJD-LBPRGKRZSA-N 320.751 4.124 0 40 DIAB CC(=O)Nc1ccc(CN[C@H]2CCCC[C@H]2C(C)(C)C)cc1 40040716 NBSYSPUTHCUZQT-MSOLQXFVSA-N 302.462 4.340 0 40 DIAB COc1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1 45200984 WSAZQWHPXJNBIQ-UHFFFAOYSA-N 319.404 4.097 0 40 DIAB Cc1ccoc1-c1nnc(CN2CCC[C@H]2c2cccs2)o1 65591452 PHBWJQGJLAZPLE-LBPRGKRZSA-N 315.398 4.037 0 40 DIAB COc1ccc2oc(Cc3ccc(Br)cc3)nc2c1 73638696 BSNXMALPRQQURX-UHFFFAOYSA-N 318.170 4.190 0 40 DIAB CC(C)N(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C 78612612 WYEZFUOAOCMMOT-HUUCEWRRSA-N 313.363 4.454 0 40 DIAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2C)cc1 85430368 UOGPNTAKUVRBHS-QGZVFWFLSA-N 304.393 4.437 0 40 DIAB CC(C)[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95949127 AGSWPYSWOJUEHQ-YUTCNCBUSA-N 313.363 4.312 0 40 DIAB CC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 95968446 CXIGGVZEPOLYLM-DNVCBOLYSA-N 306.413 4.069 0 40 DIAB CC(C)C[C@H]1C[C@@H](Nc2ncccc2C(F)(F)F)CCO1 95990652 TUGJGASTIVRGHQ-RYUDHWBXSA-N 302.340 4.106 0 40 DIAB Cc1cc(NC(=O)C(F)(F)F)cc(C)c1OCc1ccccc1 225588945 OJRGLIXTDJCWLF-UHFFFAOYSA-N 323.314 4.383 0 40 DIAB CC1(C)[C@H](O)[C@@]23CCO[C@H](c4ccc(Cl)cc4)[C@H]2C[C@@H]1C3 257219612 DHKWKKSWCDUIGJ-BVOVVCLWSA-N 306.833 4.215 0 40 DIAB Cc1csc2nc(SCc3ccc(F)cc3)nc(O)c12 408597842 IBBHADUWUCNMOS-UHFFFAOYSA-N 306.387 4.137 0 40 DIAB CC(C)Cc1nc(-c2ccccc2OC(C)C)ccc1C(=O)O 585265983 WWRRQEFIYOHARH-UHFFFAOYSA-N 313.397 4.433 0 40 DIAB Cc1ccc2cc(C(=O)O)n(CCOc3c(C)cccc3C)c2c1 585267712 VSFNOWJCTTUHPA-UHFFFAOYSA-N 323.392 4.344 0 40 DIAB c1ccc2c(c1)ncn2-c1ncnc2sc3c(c12)CCCCC3 87762 DCUPRGXIUILECJ-UHFFFAOYSA-N 320.421 4.299 0 40 DIAB O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccco1 801222 ILOLZTNYLVGDDW-UHFFFAOYSA-N 304.305 4.340 0 40 DIAB CCC(=O)c1cc2c(cc1O)C[C@@H](C(=O)CC)c1ccccc1-2 1595039 HMSDUFLOXJCEDI-MRXNPFEDSA-N 308.377 4.271 0 40 DIAB O=C(NCc1cccs1)c1cccc(OCc2ccccc2)c1 2644347 QXHWPEBNWMUGKI-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB O=C(COc1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12 3524790 IRPRSTFBEPEWQO-UHFFFAOYSA-N 303.720 4.222 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 3602853 UKIXBRDYNPPSGH-JTQLQIEISA-N 310.180 4.399 0 40 DIAB CN(C)c1ccc(CC[C@H]2CCc3ccccc3N2N=O)cc1 3845706 PWIWUZACDYZCFC-SFHVURJKSA-N 309.413 4.188 0 40 DIAB biogenic Clc1ccc(-c2csc(NCc3cccnc3)n2)cc1 4054723 VEGRRWLWTJXDEP-UHFFFAOYSA-N 301.802 4.471 0 40 DIAB CCCCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 4163188 NVNFWDISQRISKN-UHFFFAOYSA-N 320.392 4.184 0 40 DIAB CC(C)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 4163199 DBCBTARZQOMGMC-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CCCCCCNC(=O)CCCOc1ccc(CCC)cc1 4422974 IWPCDNCYXYUZQC-UHFFFAOYSA-N 305.462 4.495 0 40 DIAB O=C(O)c1cc(Nc2nc(-c3cccs3)cs2)ccc1O 4688520 DZCZPUXWNBBLDX-UHFFFAOYSA-N 318.379 4.019 0 40 DIAB CC(C)c1ccc(Cn2c([C@@H](C)NC=O)nc3ccccc32)cc1 5235862 CBSHNTBZXDWVKP-OAHLLOKOSA-N 321.424 4.015 0 40 DIAB CCc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 5477298 YLCPIBKSAGGXCW-UHFFFAOYSA-N 315.241 4.197 0 40 DIAB Fc1ccccc1NC(=S)N[C@@H]1CCCc2ccccc21 6864702 JNWCBLRGUPKSBK-OAHLLOKOSA-N 300.402 4.190 0 40 DIAB O=c1oc2ccccc2n1CCSc1ccc(Cl)cc1 7112034 QKWSPVDSCZMXAW-UHFFFAOYSA-N 305.786 4.040 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1ncc(-c2ccccc2)o1 7393153 ALKWSWZAUFNERR-UHFFFAOYSA-N 323.348 4.132 0 40 DIAB Cc1cc(C)cc(-n2nnnc2S[C@H](C)c2ccccc2)c1 7713886 SFRGKNOFNRFOHY-CQSZACIVSA-N 310.426 4.132 0 40 DIAB COc1ccc(Nc2ccc(Br)cc2C=O)cc1 8703719 PXEUMJPJUOUNRO-UHFFFAOYSA-N 306.159 4.014 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H]1c1ccccc1 9957595 IJOXGYSJAWRKIS-XSSIKURBSA-N 321.420 4.381 0 40 DIAB O=C(c1cccc(F)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071768 ASPNFJOEZYKKDT-UHFFFAOYSA-N 320.367 4.237 0 40 DIAB FC(F)(F)c1ccc(N/N=C/c2ccc(Cl)s2)nc1 11126502 VOVKTGSCYODEFE-UBKPWBPPSA-N 305.712 4.261 0 40 DIAB C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)O 12346666 INUQHJLYRODAMT-CYBMUJFWSA-N 324.405 4.105 0 40 DIAB Cc1ncc(-c2ccc(NC(=O)c3c(C)oc(C)c3C)cc2)o1 12739258 FOYYHKPOJXBTQY-UHFFFAOYSA-N 310.353 4.421 0 40 DIAB CC1(C)C[C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2O1 13669485 VAVAMNCHRZBNRB-HNNXBMFYSA-N 315.800 4.372 0 40 DIAB NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 16806730 TVKRXZWUQPVJLI-AWEZNQCLSA-N 315.214 4.021 0 40 DIAB CC(=O)CCCCCC/C=C\CCCCCC[C@H](O)C(=O)O 22060977 NYSHLUUKQNYIFM-KYVUIXNKSA-N 312.450 4.258 0 40 DIAB in-vitro CN(Cc1ccco1)Cc1c(-c2ccccc2)nc2ccccn12 22240946 SBDDVTFBHZDRAG-UHFFFAOYSA-N 317.392 4.226 0 40 DIAB C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1 32862923 AWAMAFZLEWZWSP-LBPRGKRZSA-N 322.330 4.266 0 40 DIAB COCCc1ccc(OCc2coc(-c3cccs3)n2)cc1 32957871 WZLSFJBYUULMLQ-UHFFFAOYSA-N 315.394 4.171 0 40 DIAB Cc1ccc(N(C)C(=S)Nc2ccc3ncncc3c2)cc1C 33710829 XOPIJYILDQHPGZ-UHFFFAOYSA-N 322.437 4.080 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)Cc2sc(S)nc2C)cc1 40016041 KARFMRTXUUKWFR-JTQLQIEISA-N 320.483 4.435 0 40 DIAB CCc1ccc(NC(=O)N(CC)Cc2cccc(F)c2)cc1 40097940 CIAJKZYNHLYZCO-UHFFFAOYSA-N 300.377 4.442 0 40 DIAB CC(C)(C)c1ccc(OCCn2c(C=O)nc3ccccc32)cc1 41058285 PVNOELMUPMIZRZ-UHFFFAOYSA-N 322.408 4.225 0 40 DIAB CCn1cc([C@H](C)N[C@@H](C)c2ccccc2Br)cn1 44496380 KYMVBAXMWPUNGB-RYUDHWBXSA-N 322.250 4.077 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 44841915 QTYVIVBSUPDYQA-QGZVFWFLSA-N 322.452 4.476 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)cc1 44883616 ATEJWPMMIGPQRR-INIZCTEOSA-N 301.361 4.239 0 40 DIAB Cc1ccc(SCC(=O)N2CCC[C@H]2c2ccccc2)cc1 48325204 BZHYDRGDYZHECR-SFHVURJKSA-N 311.450 4.451 0 40 DIAB CC(C)(C)OC(=O)N1CCC2(CCCc3ccccc32)CC1 51951724 UZSGMKMMJKAOHM-UHFFFAOYSA-N 301.430 4.292 0 40 DIAB Cc1cc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)no1 72272322 OQWUREVIGNSCRF-INIZCTEOSA-N 311.385 4.057 0 40 DIAB O=C(O)c1c2ccccc2nn1Cc1ccc(Cl)cc1Cl 77010902 MAHJAEVCLMBXDZ-UHFFFAOYSA-N 321.163 4.090 0 40 DIAB O=C(OC[C@H]1CCCCO1)c1cccc(Oc2ccccc2)c1 84557039 QIIUEYWDALQBQX-GOSISDBHSA-N 312.365 4.205 0 40 DIAB Cc1ccccc1[C@@H]1SCC(=O)Nc2ccc(Cl)cc21 95836929 PKPCOZWXZOXEEF-INIZCTEOSA-N 303.814 4.423 0 40 DIAB in-vitro Cc1ccc2c(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)coc2c1 102289204 QXCLSOIVMZEQIT-XSWJXKHESA-N 311.425 4.225 0 40 DIAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102401740 BJUBBPPBWGPCOW-WXSAJPJJSA-N 308.425 4.032 0 40 DIAB O=C(c1ccc(Br)cc1)c1c[nH]c2ccc(F)cc12 104418295 ZXCHXNJUMIICLV-UHFFFAOYSA-N 318.145 4.301 0 40 DIAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC=O 118915124 ZQSXNBHXKJQHBH-VHFYFXPLSA-N 318.457 4.140 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2C(=O)O 118924807 QKXFBVMFKBSRTD-WGBDHRSASA-N 318.457 4.011 0 40 DIAB Cc1ccc(OCCCC(=O)NC[C@H](C)c2ccccc2)cc1 224143533 YODQCVOTFVWSLZ-KRWDZBQOSA-N 311.425 4.074 0 40 DIAB O=C(CCCOc1ccc(Cl)cc1)NCC1=CCCCC1 224144438 VQPPHBQAELLHKO-UHFFFAOYSA-N 307.821 4.116 0 40 DIAB COc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1N 225172365 VTUDRTDGWRMQNE-UHFFFAOYSA-N 323.396 4.292 0 40 DIAB Cc1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1 225310113 PREPHQWXCGMYRV-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251055198 TWZWHAWDMUHRRH-LLDVTBCESA-N 315.457 4.056 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1 506289451 LDAGGAFMPGKPHT-AWEZNQCLSA-N 321.380 4.001 0 40 DIAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2cccs2)o1 575607725 BNZABISKRJJYLZ-UHFFFAOYSA-N 315.369 4.006 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1ccc(C)c(Cl)c1 149678 CSQUITWDOUPVII-CSKARUKUSA-N 301.773 4.309 0 40 DIAB Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1 531920 TUUXKVQSJDVIOR-JKSUJKDBSA-N 310.788 4.078 0 40 DIAB CC1=CC[C@H]2CO[C@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]1C2 1233810 TZFCVBGVAMRQAM-HMXCVIKNSA-N 306.429 4.066 0 40 DIAB biogenic Cc1cc(C)n2nc(-c3ccsc3-n3c(C)ccc3C)cc2n1 1398929 AXANTWANGWJXGU-UHFFFAOYSA-N 322.437 4.482 0 40 DIAB CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 1474134 ABLMFTRFISAIBJ-UHFFFAOYSA-N 306.365 4.059 0 40 DIAB CCCCN(CCCC)Cc1cc(=O)oc2cc(C)c(O)cc12 2114557 WMFSZDFOGKVCKM-UHFFFAOYSA-N 317.429 4.209 0 40 DIAB biogenic Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1Br 2198326 JQTICEAGYDMSIF-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2cccc3ccccc23)cc1 3148482 CDBPYISHDKUGBE-AWEZNQCLSA-N 305.377 4.339 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)CNc1ccc(F)cc1 3257560 BBVWAMFUAZYFIZ-ZDUSSCGKSA-N 300.377 4.390 0 40 DIAB Cc1ccc2nc(S[C@@H](C)C(=O)c3ccc(F)cc3)[nH]c2c1 6292190 COFIMMLINHYOEW-NSHDSACASA-N 314.385 4.374 0 40 DIAB Cc1csc(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)n1 7817099 WIEHCUJVAHSELV-LLVKDONJSA-N 318.467 4.060 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1 9169115 VBZNTCYFACITSJ-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB O=c1ccc2ccc(OCc3coc(-c4ccccc4)n3)cc2o1 9502864 XUAUQDPYLYUQNO-UHFFFAOYSA-N 319.316 4.027 0 40 DIAB CCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1F)c1ccccc1 9516826 CHHDCMJGHBBNQU-WMLDXEAASA-N 314.404 4.284 0 40 DIAB Cc1cc(-c2cnc(-c3cccnc3)nc2-c2ccoc2C)on1 12233242 VTJCQLKRIDJMJS-UHFFFAOYSA-N 318.336 4.070 0 40 DIAB Cc1cc(C)cc(C(=O)NCCCn2ccc3ccccc32)c1 12555599 KEKVQXJOAVPHCZ-UHFFFAOYSA-N 306.409 4.078 0 40 DIAB CCCC[C@H](CC)c1nnc(NC(=O)c2c(C)noc2C)s1 13330736 VLXDYOJQAVEHKZ-NSHDSACASA-N 322.434 4.079 0 40 DIAB Cc1ccc(SCCNC(=O)c2ccc(Cl)cc2F)cc1 14311733 DOOSFCIIIOLYHJ-UHFFFAOYSA-N 323.820 4.310 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(F)cc1F 16241000 XRUNVFYPVBUMJF-LLVKDONJSA-N 306.381 4.321 0 40 DIAB CSc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 16832734 JEEAHNFFVKZRKF-UHFFFAOYSA-N 310.422 4.461 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl 17304104 SAMJKDXASIBMHT-UHFFFAOYSA-N 312.181 4.184 0 40 DIAB O=C(CSCc1ccccc1)Nc1ccc2ncccc2c1 18192306 LOLQFNWLFQGYCR-UHFFFAOYSA-N 308.406 4.107 0 40 DIAB CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccccc2F)c1 20540052 PDROWEQWBZRABH-CYBMUJFWSA-N 316.376 4.496 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)Cc3ccccc3F)nc12 23268705 NJXIMBFKDDAORX-UHFFFAOYSA-N 314.385 4.233 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(F)cc1 25534206 IUQFACFCUWIZAR-IBGZPJMESA-N 322.383 4.213 0 40 DIAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 27582402 AIHYNURLMIITOW-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB Fc1ccccc1Nc1nnc(SCc2cccnc2)s1 27775106 MPPKHCYTIJKFHS-UHFFFAOYSA-N 318.402 4.108 0 40 DIAB COc1ccc(-c2nc3ccccc3o2)cc1Br 28964896 RGPIMKKOGFANKD-UHFFFAOYSA-N 304.143 4.266 0 40 DIAB Cc1ccc(-c2nnc(C)c3nn(-c4ccc(C)cc4)cc23)cc1 36649130 FTYRPHUIBDQVCC-UHFFFAOYSA-N 314.392 4.408 0 40 DIAB Fc1cccc(OCCOc2ccccc2Br)c1 41546436 XFDXDAPDZBLJLU-UHFFFAOYSA-N 311.150 4.046 0 40 DIAB CC(C)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 52537267 LBBWWBVVWSGTKL-NRFANRHFSA-N 308.469 4.029 0 40 DIAB Cc1cc2nc(Nc3nc4ccc(N)cc4s3)oc2cc1C 57352653 MRYXXZIDDPTSTL-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB O=C(NCc1cccc(Cl)c1)c1cc2cc(Cl)ccc2[nH]1 57416199 ULJWKGKGTIXKCT-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB CCOc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)cc1 71978314 OAPUBHAVDRQEGV-UHFFFAOYSA-N 319.408 4.408 0 40 DIAB CC(C)(C)[C@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1 73847449 NQBJLMOCPSBWPA-OAHLLOKOSA-N 320.795 4.391 0 40 DIAB c1ccc(-c2nc(CCNc3nc4ccccc4o3)co2)cc1 84564713 AKPQFBHESYJOMS-UHFFFAOYSA-N 305.337 4.137 0 40 DIAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1c1nc(C2CC2)no1 89813475 RAENOSSIBMQFMX-QWRGUYRKSA-N 310.275 4.117 0 40 DIAB CC[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 97017074 FMCKBCIIHZGDEY-KXBFYZLASA-N 323.440 4.010 0 40 DIAB CN(Cc1ccccc1)C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100991661 FOENLBUDTSDCFH-FDCMFXBMSA-N 317.860 4.223 0 40 DIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102999229 CQYWEMBOCPBRBK-RTWAVKEYSA-N 311.347 4.260 0 40 DIAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 105368167 NQUQIAYCNLKMTR-CCOVMOLUSA-N 316.441 4.265 0 40 DIAB COc1cccc(CCCNC(=O)Nc2ccc(Cl)cc2)c1 222633909 LSKOVNWZWODWBM-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Cc1ccccc1C(=O)NCc1cncc(-c2cccs2)c1 225663402 PZAFUCQMQHQISF-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cn1 225904490 MIWLTURYOGWLNR-GOSISDBHSA-N 322.449 4.040 0 40 DIAB FC(F)(F)c1ncnc(Cl)c1Cc1cccc(Cl)c1 257198083 SDGWYNXOHRIASV-UHFFFAOYSA-N 307.102 4.393 0 40 DIAB Cc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)cc1 408527689 HAWUMHZPCAPITF-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB CCOCc1cccc(N[C@@H]2CCc3c2ccc(OC)c3F)c1 585083683 IQBJVIFSYYHRKY-QGZVFWFLSA-N 315.388 4.470 0 40 DIAB c1coc(C(CNc2nc3cnccc3s2)c2ccco2)c1 1775971325 NRDAQIDDBZYHNB-UHFFFAOYSA-N 311.366 4.121 0 40 DIAB COc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 3481857 UVMMVZPZWCKLGN-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)C(C)C)ccc12 4340124 UZGLHPONTJAJIV-UHFFFAOYSA-N 322.360 4.330 0 40 DIAB biogenic COc1cccc2[nH]c(C(=O)Nc3ccc(F)c(Cl)c3)cc12 5350319 VOSPNUVDENLGNA-UHFFFAOYSA-N 318.735 4.221 0 40 DIAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 6892321 CILPZGWLHOJLSA-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB COc1ccccc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 8211084 IVNFHDSEJMGPRN-ZDUSSCGKSA-N 308.381 4.168 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Cl 8723212 JKYRNHOOJRJXCX-INIZCTEOSA-N 303.789 4.445 0 40 DIAB O=C(c1cc2ccccc2o1)N(Cc1ccc(F)cc1)C1CC1 9548816 DHNJVWNORWQMCB-UHFFFAOYSA-N 309.340 4.377 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Cl)cc1)C2 11326560 LERNLNQTMZWSGO-OAHLLOKOSA-N 303.814 4.304 0 40 DIAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1cccc(Cl)c1 13041387 YDBYOWLSFKBZFK-UHFFFAOYSA-N 314.816 4.040 0 40 DIAB O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccccc1 13425520 QQBQMNBOXLAMCJ-UHFFFAOYSA-N 309.394 4.068 0 40 DIAB Brc1cccc(CN2CCCc3ccccc32)c1 14217317 QTOXCYUCQSQHPL-UHFFFAOYSA-N 302.215 4.402 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1C 15366664 AMSTUEFNDAAJCD-CQSZACIVSA-N 317.816 4.041 0 40 DIAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C)c(C)c1)C=CO2 15838750 PNJQNMZYCHAUQQ-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1Cl 17907947 JPBBNVNLHXCXJY-GFCCVEGCSA-N 310.784 4.379 0 40 DIAB C[C@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 22197668 SRYWGXGRTKKXAI-KRWDZBQOSA-N 322.452 4.414 0 40 DIAB ClC12C[C@H]3C[C@@H](C1)CC(c1nnc(-c4ccco4)o1)(C3)C2 24013666 CWKHRKBZVUBXIB-IUOZQUQDSA-N 304.777 4.159 0 40 DIAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1OC(F)F 25300078 RHNUEQKSFKKQFY-MRVPVSSYSA-N 315.703 4.025 0 40 DIAB Cc1cc2cc(NC(=O)CCC(=O)c3cccs3)ccc2[nH]1 32818520 GRKVUJORJGKCIS-UHFFFAOYSA-N 312.394 4.139 0 40 DIAB CC(C)Oc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 36561530 YXFOEIRMEDNVPM-UHFFFAOYSA-N 318.804 4.449 0 40 DIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40525638 ZENNGUDCWVZVFC-JTQLQIEISA-N 320.742 4.455 0 40 DIAB O=C(c1cccc(C2OCCO2)c1)c1ccc(Cl)c(Cl)c1 43212589 NYQNNJLDOQXSBH-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB COC(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 44845141 HMRQQRSFBVYQIA-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1Cl 44845569 GYOBZERUBUGXCP-ZDUSSCGKSA-N 302.805 4.483 0 40 DIAB Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)NC(=S)N2)cc1 51329825 JPUXFXIPYPMAEU-HNNXBMFYSA-N 314.841 4.208 0 40 DIAB Cc1nc(N(C)Cc2ccccc2)ccc1[C@@H](O)c1ccccc1 72224442 PBZTXQJEVDMURR-NRFANRHFSA-N 318.420 4.108 0 40 DIAB Clc1ccc2oc(-c3cncc(Br)c3)nc2c1 73636053 DIFQYUMAGZVJQH-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB Cc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1C 73639385 ZJWOWWQLEQBSSH-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB Cc1ccnc(SCC2CCN(C(=O)OC(C)(C)C)CC2)c1 79440798 PHEXRGBGCAXELM-UHFFFAOYSA-N 322.474 4.129 0 40 DIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1cc(Cl)ccc1Cl 95095985 PWBYXZZAWFUOFM-XVKPBYJWSA-N 301.091 4.012 0 40 DIAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccc2)c(C)c1 96137055 GFCLXOQGMVXTRN-MDZDMXLPSA-N 301.411 4.024 0 40 DIAB O=C(C[C@H]1C=CCC1)N1CCC(Oc2ccccc2Cl)CC1 96484062 LNVIATCSPIQFRS-AWEZNQCLSA-N 319.832 4.066 0 40 DIAB CCN1C(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)c2ccccc21 101014391 YXNZFDRWBOTMNN-OAHLLOKOSA-N 319.326 4.398 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102789405 HWKFAEVJPVTXFF-LZQZEXGQSA-N 315.457 4.054 0 40 DIAB COc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)cc1Cl 104242989 QDNBFZIZGZZBLO-SRVKXCTJSA-N 323.820 4.122 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(CN2CCCC2)cc1 107082089 JNFGOOWSFZOOGS-BZSNNMDCSA-N 312.457 4.047 0 40 DIAB Cc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)cc1C 224249141 UEAYOMPAFTVEIL-UHFFFAOYSA-N 321.342 4.181 0 40 DIAB Cc1cccc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225070279 HXJFJLDHFCCHOY-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2cnc3onc(C(C)C)c3c2)cc1 514495151 BTNWQCCHEZKLIC-ZDUSSCGKSA-N 323.396 4.146 0 40 DIAB O=c1oc2ccccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1 244850 BKSIRJBXYHOZTL-UHFFFAOYSA-N 324.723 4.163 0 40 DIAB CCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 534244 YLDWZWYXAACYAU-UHFFFAOYSA-N 306.344 4.196 0 40 DIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C 1684817 JKSYUQKNAOZGAO-OBKDMQGPSA-N 316.441 4.204 0 40 DIAB c1ccc(-c2ccc(OCc3nnc4n3CCCCC4)cc2)cc1 3299401 LDQAFZJQXKRICT-UHFFFAOYSA-N 319.408 4.251 0 40 DIAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCCC1 3386828 FOKVHIPBPFAQAR-INIZCTEOSA-N 324.424 4.292 0 40 DIAB Cc1cc(C)c(NC(=O)CSc2nc(C)cs2)c(C)c1 3413969 KTBHKQZWLLXZIR-UHFFFAOYSA-N 306.456 4.108 0 40 DIAB COc1ccc(C)cc1NC(=O)CSc1ccccc1C 3567117 INGTWJUIBXPIJR-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CC(C)(C)OC(=O)NCCCCCCCCCCCCN 4202977 ZFSCBYAYUUFEPJ-UHFFFAOYSA-N 300.487 4.371 0 40 DIAB CCCCCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 4646408 HGZSDITXKOFDMO-UHFFFAOYSA-N 323.458 4.322 0 40 DIAB Cc1ccccc1[C@@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4912931 FVQCHAGNMWCVRM-KRWDZBQOSA-N 303.361 4.328 0 40 DIAB CSc1cccc2sc(NC(=O)c3cccc(F)c3)nc12 5299216 WNARXUNOSGQLQO-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Cl)cc1 5330494 DCJZUAHNFCBBMO-UHFFFAOYSA-N 310.784 4.170 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)o1 5938314 DBUGCKFLUKIRFY-UHFFFAOYSA-N 323.377 4.445 0 40 DIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)C3CCC3)n2c1 6971070 LNWPATAHOXARKK-UHFFFAOYSA-N 305.381 4.048 0 40 DIAB Cc1nc2ccccc2c(=O)n1Cc1ccc(C(C)(C)C)cc1 7390486 OVXUYBBBWXVYQZ-UHFFFAOYSA-N 306.409 4.051 0 40 DIAB O=C(c1ccccc1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 7507263 OAWFHCHLHOLEMK-IBGZPJMESA-N 321.401 4.036 0 40 DIAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 8181731 FPHURQNSZYLRAX-OAHLLOKOSA-N 321.376 4.350 0 40 DIAB Cc1ccc(OCCCC(=O)N2c3ccccc3C[C@@H]2C)cc1 10449974 WMYFJACTHPTIEK-INIZCTEOSA-N 309.409 4.132 0 40 DIAB O=C(O)/C=C/c1ccc(Oc2ccc(Br)cc2)cc1 11890847 CMVRNZOIXJTPCI-XCVCLJGOSA-N 319.154 4.339 0 40 DIAB COc1cc(OC)cc(-c2nnc(-c3ccccc3Cl)o2)c1 12736835 HINLJNCPGWBQOO-UHFFFAOYSA-N 316.744 4.074 0 40 DIAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1F 12907653 OGAZAJZELRLEEN-AWEZNQCLSA-N 323.339 4.071 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cn1 13019956 PWOWGTSCRKXXHD-SNVBAGLBSA-N 309.196 4.188 0 40 DIAB O=C(NCCSCc1ccccc1Cl)C1CCCCC1 13716891 JAJDIEMYOWNNEM-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB CCN1C(=O)[C@@H](Cc2oc3ccccc3c2C)c2ccccc21 15018135 QIZMKHOPEYVOAR-INIZCTEOSA-N 305.377 4.434 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 15578881 RIGOHCQBUNLIMZ-OAHLLOKOSA-N 322.191 4.244 0 40 DIAB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1 19957876 BEIYDKMKDJZYSU-QGZVFWFLSA-N 312.800 4.065 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2C)cc1 20050545 JIZKKTLUUFPHOG-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB O=C(Nc1ccccc1N1CCCCCC1)c1cccc(F)c1 22829027 QXMTYEGXUIICSL-UHFFFAOYSA-N 312.388 4.458 0 40 DIAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1OCc1ccccc1 23467599 JLKHMYVONMSSEF-FQEVSTJZSA-N 309.409 4.404 0 40 DIAB O=C(/C=C/c1c(Cl)cccc1Cl)NC(C1CC1)C1CC1 25155404 AVUFQBIQDNSCSK-CMDGGOBGSA-N 310.224 4.311 0 40 DIAB C[C@@H](Sc1nc2ccccc2[nH]1)c1nc(-c2ccco2)no1 29738099 PQKGXGHHCDGPHN-SECBINFHSA-N 312.354 4.059 0 40 DIAB COc1cccc2cc(C(=O)N[C@@H]3CCCc4ccccc43)oc12 30870418 WVEBTLJQEIFIHD-MRXNPFEDSA-N 321.376 4.249 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(C)s3)c2)n1 32817492 RILKWIDGJDSRGI-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)cs1 32915764 AGSHGUWHRXPYEU-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB Cc1cccc(C)c1NC(=O)NCCc1cccc(Cl)c1 40023924 DZVMRPWWMFSUEO-UHFFFAOYSA-N 302.805 4.321 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 40095565 GWFZAECCVSSJSI-GJZGRUSLSA-N 302.418 4.129 0 40 DIAB Cc1ccc(C)c(-n2c(CNc3ccccc3C)n[nH]c2=S)c1 40163738 DKBBSEZEUDMCQZ-UHFFFAOYSA-N 324.453 4.467 0 40 DIAB Cc1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)no1 47129677 RAANRLYDUFJLFQ-MRXNPFEDSA-N 317.364 4.175 0 40 DIAB CCN(CC)c1ccc2c(C)c([C@H]3CCCCO3)c(=O)oc2c1 50073003 IMCCPIDMKLLIRP-MRXNPFEDSA-N 315.413 4.189 0 40 DIAB Cc1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)sc1C 57863795 LBDMHTZWZFTKID-UHFFFAOYSA-N 313.378 4.032 0 40 DIAB CC(C)Cn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 64874469 URYULHXMKJWDJT-UHFFFAOYSA-N 308.809 4.143 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 69539222 OBZGIDUDPQDQJX-NXEZZACHSA-N 318.339 4.279 0 40 DIAB C[C@H](Nc1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72207668 BAPREOKBLLXDJF-GOEBONIOSA-N 304.434 4.277 0 40 DIAB CC[C@H](NCc1cscn1)c1ccccc1Br 89947912 RBNWVQOIXFKIMQ-ZDUSSCGKSA-N 311.248 4.147 0 40 DIAB Cc1ccc([C@H](C)CN[C@H](C)c2cnc3cc(C)nn3c2C)cc1 91726812 FHTQKQZCHGYYOY-GDBMZVCRSA-N 322.456 4.109 0 40 DIAB Cc1ccc([C@H](CC(=O)OC(C)C)NCc2ccccc2)cc1 95462537 UJEPOJWZZZCMQY-IBGZPJMESA-N 311.425 4.168 0 40 DIAB Cc1c(C(F)(F)F)nc2c(F)cccc2c1Br 96171855 GELNWLUXUMWKBO-UHFFFAOYSA-N 308.072 4.464 0 40 DIAB CC[C@H](NC(=S)Nc1ncccc1C)c1ccc(C)c(C)c1 225712586 MBFGKXIJLBNCQS-INIZCTEOSA-N 313.470 4.445 0 40 DIAB CCc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)O)cc2C)cc1 256051131 HVUOYBCDTMYQSN-JXMROGBWSA-N 324.376 4.183 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260529676 YFEYXLOOTCLWQB-CBVHJVASSA-N 323.436 4.302 0 40 DIAB OCc1cc(-c2ccccc2)nc2cc(C(F)(F)F)ccc12 685937086 KFCHQJZJCMZUBK-UHFFFAOYSA-N 303.283 4.413 0 40 DIAB Cc1ccc2sc(NC(=O)c3ccccc3F)nc2c1C 151523 XRDCYNPSOPZPNM-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 345888 GUNSTMJVFNEAIB-UHFFFAOYSA-N 303.427 4.093 0 40 DIAB Cc1nc(Cl)sc1C(=O)Nc1cccc(Cl)c1C 385228 YIAQOPPLMMNLDK-UHFFFAOYSA-N 301.198 4.319 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C)cc2C)c1 505945 UBSAKAUPZOYLHV-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccccc1 510264 LPDQJUSJIZDRHX-UHFFFAOYSA-N 312.372 4.112 0 40 DIAB CCCCCCNC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 1781733 MCAKVJYJWBMQAS-ZRDIBKRKSA-N 319.445 4.192 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1c(F)cccc1Cl 3549887 KNNROHWPRAACGZ-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB c1ccc2c(c1)CCc1ccccc1N2[C@@H]1CN2CCC1CC2 4214242 JCBQCKFFSPGEDY-OAQYLSRUSA-N 304.437 4.018 0 40 DIAB in-man CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 4896393 QMCLGDBCODWMRX-YGPNDZQQSA-N 316.441 4.060 0 40 DIAB COc1ccc(C2CCN(C(=O)N(C(C)C)C(C)C)CC2)cc1 5000961 KZDQEEBUKZEJOQ-UHFFFAOYSA-N 318.461 4.113 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 6053052 AACKAYHFPRXDHP-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB CC(C)c1ccc(NC(=O)COc2cccc3cccnc23)cc1 6127902 LRHKPRKTXDOTJO-UHFFFAOYSA-N 320.392 4.376 0 40 DIAB Cc1cc(C(=O)Nc2nc3ccc(F)cc3s2)c(C)s1 7978856 VDJFIGXVNARUIB-UHFFFAOYSA-N 306.387 4.366 0 40 DIAB Cc1nc(-c2ccc(O)cc2)sc1C(=O)Nc1ccccc1 8297584 MRRRMGSBQQKFGB-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB CCC[C@@H](C)C(=O)Nc1ccccc1S[C@H](CC)C(=O)O 8732906 ZRFYWNWURPZVRC-DGCLKSJQSA-N 309.431 4.017 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)[C@H](C)CCC)C(=O)O 8732910 SJRJJGPRDPECAE-DOMZBBRYSA-N 323.458 4.407 0 40 DIAB CCN1C(=O)c2cc(NC(=O)C(C)C)ccc2Oc2ccccc21 9134700 WWKBMIWQXVEYNG-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB Cc1occc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 10551664 VRXUPQOMVVUBEX-UHFFFAOYSA-N 324.405 4.453 0 40 DIAB Cc1ccccc1CCNCc1ccc(Br)cc1 19815246 PPYKOJSWKQUSKW-UHFFFAOYSA-N 304.231 4.090 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 20108856 GGPVKBBCGRLUAS-HNNXBMFYSA-N 315.388 4.171 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCC(C)CC1 20456155 QROYNWGTOGUXPD-GOSISDBHSA-N 311.425 4.256 0 40 DIAB O=C1c2ccccc2-c2cc(N3CCCC3)nc3cccc1c23 20759358 MSEDXTZQYVCCCG-UHFFFAOYSA-N 300.361 4.046 0 40 DIAB biogenic CCCCN1CCC(Nc2ncnc3c2oc2ccccc23)CC1 32937608 IXJBTTVXDJWROW-UHFFFAOYSA-N 324.428 4.052 0 40 DIAB COC(=O)c1cc(Nc2cccc(OC)c2)c2cccc(C)c2n1 38487127 PWLCLBKEYLRLQG-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB c1ccc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)cc1 40460674 YPHZNAAIBIVDRG-AWEZNQCLSA-N 311.410 4.135 0 40 DIAB CN(CCc1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl 58266598 HGRKOFUKZHHMTQ-UHFFFAOYSA-N 324.211 4.095 0 40 DIAB CCCn1c(SCc2cccc(C)c2)nnc1-c1ccncc1 58857045 QUNPGUSESQPVJG-UHFFFAOYSA-N 324.453 4.351 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2ccc(F)cc2C)c1 71761153 LGYHXDWYJYCYBR-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB CCCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213231 GVIIYQYMWCEGDO-GOSISDBHSA-N 323.440 4.271 0 40 DIAB COc1ccc2nc(Br)cc(C(F)(F)F)c2c1 75895777 GLBHXZZGVWHUKE-UHFFFAOYSA-N 306.081 4.025 0 40 DIAB Cc1cnc([C@H](N[C@H]2CCc3ccc(F)cc32)C2CC2)s1 95423343 YJBLNPFFWYQZFC-JKSUJKDBSA-N 302.418 4.319 0 40 DIAB FC(F)(F)c1ccccc1CNc1cccc(-c2ncon2)c1 95971964 WCUJZCWWZAVDPC-UHFFFAOYSA-N 319.286 4.368 0 40 DIAB CO[C@@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccc(C)cc21 96100202 RVSGUDIPMISTEE-HXUWFJFHSA-N 322.452 4.015 0 40 DIAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1cccc(C)c1)CC3 96759292 AHRZOMSFXALZTQ-UVTDQMKNSA-N 322.433 4.273 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCC12CC3CC(CC(C3)C1)C2 108905087 DLFGIOABLIJWKZ-LKOKRIKQSA-N 301.474 4.145 0 40 DIAB O=C(CCCOc1ccccc1)NCc1cccc2ccccc12 222858578 VCAVKPJRUIYMGY-UHFFFAOYSA-N 319.404 4.315 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NC(C)(C)CC(C)(C)C 224156521 LVDLNGHNYVMGDG-INIZCTEOSA-N 321.461 4.184 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C 225590990 DAAMYBVTMKVDFK-VIFPVBQESA-N 324.635 4.481 0 40 DIAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@](C)(CC)OC)cc1C 225604460 VFTWZVZEXSITJB-KSSFIOAISA-N 307.434 4.234 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(C)c1 225619891 AKFKUWGLULYYFX-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CC(C)COc1ccc(NC(=O)C(F)(F)F)c2ccccc12 225783155 UKEMSSZOEQGHAO-UHFFFAOYSA-N 311.303 4.375 0 40 DIAB COc1ccc(Cl)cc1C(=O)CCCCBr 382681315 BENRJFCUEBIPGK-UHFFFAOYSA-N 305.599 4.097 0 40 DIAB C[C@@H](NCc1cscn1)c1ccc(C(F)(F)F)nc1Cl 585086184 ZXCPXKNNLBZXCM-SSDOTTSWSA-N 321.755 4.061 0 40 DIAB Cc1nc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc(C(F)(F)F)n1 1776009438 LKEGWGKAGCTLOR-STQMWFEESA-N 309.335 4.025 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 128644 AODXREWZMDGJJZ-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB CC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C 148972 KEZFFKVTGGRQMP-UHFFFAOYSA-N 316.426 4.204 0 40 DIAB Cc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc32)c1 1390068 GBPWUFJZUMIZHY-UHFFFAOYSA-N 316.408 4.196 0 40 DIAB CCOC(=O)[C@@H](Oc1ccccc1-n1cccc1)c1ccccc1 1403245 JCDPVAFXEVHKCM-IBGZPJMESA-N 321.376 4.161 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)o1 2282084 HVQKGPMUYJUWJI-GHRIWEEISA-N 315.328 4.291 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(CSC)cc2)cc1 3407232 ZOBSDPWWKAKTQD-UHFFFAOYSA-N 301.411 4.201 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 3421366 ZJHNYXORRHFOKK-UHFFFAOYSA-N 316.813 4.151 0 40 DIAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCCC1 3422354 VUFOJOOEIMNCFJ-UHFFFAOYSA-N 311.410 4.420 0 40 DIAB CSc1ccc(-c2nc3[nH]cnn3c2Nc2ccccc2)cc1 3909982 RPWHMIJCRYVHSP-UHFFFAOYSA-N 321.409 4.190 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3[C@H]1CC=C(C)C[C@@H]1C 4029030 SSBXMBLMSWKYIH-ZUEVXXBESA-N 310.441 4.356 0 40 DIAB biogenic CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(N)cc1 4676327 PQRDLGMJAIAYLD-UHFFFAOYSA-N 324.453 4.148 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 4709396 HHCMKNGNVCTEOH-UVTDQMKNSA-N 317.266 4.050 0 40 DIAB O=C(Oc1ccc2c(c1)CCC2)c1cccc(-n2cccc2)c1 7976343 LVPCMSKFVRBIRM-UHFFFAOYSA-N 303.361 4.185 0 40 DIAB CCCSc1ccccc1C(=O)Nc1ccc(OC)cc1 8816552 ZJQASPRUMCVIEK-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB Fc1ccccc1OCCSc1nnc(-c2cccs2)o1 9607254 GDHULZLTHILACN-UHFFFAOYSA-N 322.386 4.108 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10324240 GJBFHGRCRLCPFK-UHFFFAOYSA-N 308.425 4.152 0 40 DIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1 11524002 IHUJXQOMGCLDNP-UHFFFAOYSA-N 323.421 4.149 0 40 DIAB Cc1nc2ccc(C(=O)N[C@@H](C)Cc3cccs3)cc2s1 12203996 ZMGSFYJXUXLXKO-JTQLQIEISA-N 316.451 4.027 0 40 DIAB Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1C 12422259 DZMMXYCKQFXXEC-UHFFFAOYSA-N 312.394 4.201 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 12768642 WZWHYMXNZGEHFA-FZMZJTMJSA-N 314.351 4.083 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 13689010 ZXYUMCAUHTXDAR-INIZCTEOSA-N 319.404 4.266 0 40 DIAB Clc1ccc(-c2nc(Br)c3ccccn23)cc1 20263961 IPVXTYHCFJJNGI-UHFFFAOYSA-N 307.578 4.417 0 40 DIAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C 22254872 ARRZVJIQSOLWOK-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 23055343 XLZLQFMGCNBUPN-UHFFFAOYSA-N 308.303 4.369 0 40 DIAB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCc2ccccc21 24759500 JXZXSWHOONVKGM-CQSZACIVSA-N 308.406 4.355 0 40 DIAB O=C1O[C@@H](CC(=O)c2ccc3ccccc3c2)C(Cl)=C1Cl 26329935 KYLYVKJDKZAHSY-ZDUSSCGKSA-N 321.159 4.027 0 40 DIAB O=C(CCC1CCCCC1)Nc1cnn(Cc2ccccc2)c1 28220289 MTVPQHSLHGONNT-UHFFFAOYSA-N 311.429 4.230 0 40 DIAB O=C(/C=C/c1ccco1)N1CCC[C@H]1c1ccc(Cl)cc1 30367505 NUTHXYRSJGIQAX-SCOAYWHSSA-N 301.773 4.310 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cc1 40449474 ZBRGFWLFMFHGGR-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB c1ccc2c(N3CCCCCC3)nc(N3CCCCCC3)nc2c1 41149421 PWMOULKZUNGFEF-UHFFFAOYSA-N 324.472 4.391 0 40 DIAB CCc1ccc(NC(=O)NCc2ccc(F)cc2Cl)cc1 44845418 CPVQPZXNGBCPNI-UHFFFAOYSA-N 306.768 4.363 0 40 DIAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCCC1 46271085 YHJHQGYTZGGAAW-UHFFFAOYSA-N 304.390 4.002 0 40 DIAB CCCOc1ccccc1NC(=O)c1ccc(-c2cnco2)cc1 47412012 JOAWJIZRTCXNQI-UHFFFAOYSA-N 322.364 4.383 0 40 DIAB CC[C@H](c1ccccc1)[S@@](=O)Cc1cnn(-c2ccccc2)c1 84734710 QPIGEAFKQINFEQ-AUSIDOKSSA-N 324.449 4.272 0 40 DIAB Cc1cccc2cc(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)oc12 95449013 ATSAJEWLYDWUCA-ZBFHGGJFSA-N 315.413 4.065 0 40 DIAB CN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)C1CCC1 95964775 IMXWYGZNJWRAHS-UHFFFAOYSA-N 320.241 4.029 0 40 DIAB CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C 96105187 CYYXSDPTWCZOLP-INIZCTEOSA-N 318.804 4.158 0 40 DIAB Cc1ccnc(Oc2cc(N[C@@H](C)c3nnc(C)o3)ccc2C)c1 96437211 QWDRJRIZWRCZNI-ZDUSSCGKSA-N 324.384 4.355 0 40 DIAB C[C@@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@@H]1CC[C@@H]2C1 104295398 FTJRACLRIHXNNT-YCCFLXJFSA-N 316.466 4.231 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 223825975 AKEHSFQABUVPBA-INIZCTEOSA-N 323.436 4.384 0 40 DIAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(F)c(Cl)c1 224203881 YUQLKFUEFVMMHG-UHFFFAOYSA-N 316.134 4.453 0 40 DIAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1 225306278 HLQFBPKLOZNZEV-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB CCOC(OCC)c1ccc2c(Cl)c(C(=O)O)sc2c1 228943610 QPQRKNDOWNXZLQ-UHFFFAOYSA-N 314.790 4.325 0 40 DIAB O=C(O)c1cccc(CNC2(Cc3ccccc3)CCCCC2)c1 263449707 ZBUCIKRJQBIVPW-UHFFFAOYSA-N 323.436 4.420 0 40 DIAB COC(=O)CCCC(=O)c1ccc(-c2ccccc2)c(F)c1 575357793 YPXVIYRFZIEUHI-UHFFFAOYSA-N 300.329 4.019 0 40 DIAB CC(=O)Oc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 49672 WNBFLTYKOPOGSY-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccccc2)c1 509089 PSMWJCONNXOBMZ-UHFFFAOYSA-N 311.425 4.156 0 40 DIAB COc1ccc(NC(=O)c2ccccc2C)cc1Br 570562 VFXIQEBIJNIORJ-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CC[C@H](C)C3 2437546 XAIIGIMHPADREU-VIFPVBQESA-N 324.409 4.032 0 40 DIAB O=C(C1CCCC1)N1CCC[C@H]1c1nc2ccccc2s1 3363715 RXNQGXGGBTUNCO-AWEZNQCLSA-N 300.427 4.150 0 40 DIAB Nc1nc(-c2cc(Cl)cc(Cl)c2OC(F)F)cs1 3379437 FFFWCZZXPIWJDM-UHFFFAOYSA-N 311.140 4.301 0 40 DIAB COc1ccccc1CCC(=O)Nc1cccc(C(F)(F)F)c1 3451470 LCTBIYRLKQBKJK-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB c1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 4356566 BQHQWRFAGHFKBN-UHFFFAOYSA-N 322.389 4.165 0 40 DIAB Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1 4678619 YRILAPYWLCYBPK-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2Cl)s1 4696339 YFNGKCSIBQYZFI-SECBINFHSA-N 309.822 4.347 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1 5698216 CWFDJTFNGFPZFJ-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB COc1ccc(CNC(=O)Nc2ccccc2)c(C(C)(C)C)c1 6022921 QVSWTDZGJUBELF-UHFFFAOYSA-N 312.413 4.314 0 40 DIAB Cc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6840314 NPYGTIKNJHUCFR-SXGWCWSVSA-N 311.768 4.301 0 40 DIAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccn1 8183681 UZKJXEFHAYOSAH-INIZCTEOSA-N 316.404 4.169 0 40 DIAB Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)no1 8312448 BKCUJVGLUJMCLU-UHFFFAOYSA-N 316.401 4.247 0 40 DIAB CC[C@@H](C)NCc1cccc(OC)c1OCc1ccc(F)cc1 8326027 LHFSZGIZFVMGJY-CQSZACIVSA-N 317.404 4.301 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)c2cc3cc(Cl)ccc3o2)c1C 11163221 ATAOLBJNWUNFLU-UHFFFAOYSA-N 315.756 4.465 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3cc(C)cc(C)c3)cc2c1 12493182 XIWDHCNFTNJRES-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB Clc1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1 12771674 VGUOQXVWQFPHQJ-UHFFFAOYSA-N 322.755 4.261 0 40 DIAB c1ccc([C@H]2c3ccsc3CCN2CCc2ccncc2)cc1 15033309 KSFFVFSOJVPNJC-FQEVSTJZSA-N 320.461 4.333 0 40 DIAB CCCN(CCC)c1ncnc2c1cnn2-c1cc(C)ccc1C 15880907 ZVTIYTMWLQHGTA-UHFFFAOYSA-N 323.444 4.059 0 40 DIAB COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(C)nc2c1 17323794 YMVLOMOMUSEUTD-CYBMUJFWSA-N 320.392 4.043 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)cc1 22739767 AUAZCMNHHXVHRR-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccsc3)oc12 24834146 UDJBLFFPAARVMW-LLVKDONJSA-N 315.394 4.384 0 40 DIAB CCCc1noc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)n1 27774556 DBCKYZPCBZXTKL-SNVBAGLBSA-N 302.403 4.060 0 40 DIAB CC(C)c1nc(CSc2nc3ccccc3n2C)cs1 31645389 QIHGAEKUAQFETM-UHFFFAOYSA-N 303.456 4.446 0 40 DIAB CC(C)(C)CC(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609686 WDSGPFCFGLLPQE-UHFFFAOYSA-N 323.799 4.099 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C 40155736 CDWKJPACYVRXMX-SUMDDJOVSA-N 316.489 4.058 0 40 DIAB CC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 40487533 HIGURTDMJORZMY-ICSRJNTNSA-N 322.408 4.365 0 40 DIAB c1ccc(COc2ccc(OCC[C@@H]3CCCCN3)cc2)cc1 42773035 ANBSFWNLFHOQPW-SFHVURJKSA-N 311.425 4.177 0 40 DIAB CCc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)o1 58745285 BPQBZCGFFFPFRV-UHFFFAOYSA-N 307.802 4.248 0 40 DIAB C[C@@H](N[C@H](C)c1cc(Br)ccc1F)c1ccncc1 95419212 YOGYUVNSDATQLN-GHMZBOCLSA-N 323.209 4.395 0 40 DIAB c1csc(C2(NCc3csc(C4CC4)n3)CCCC2)n1 96407714 NUIVQALTDJMDIV-UHFFFAOYSA-N 305.472 4.036 0 40 DIAB c1ccc2oc(-c3nnc(SCc4cscn4)o3)cc2c1 96452655 ANEDTCLDOAJBAL-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB Cc1cccc(CN2CCC[C@H]2c2nc3ccccc3n2C)c1 97013480 PEIPKNVWJJCLEY-IBGZPJMESA-N 305.425 4.219 0 40 DIAB Cc1ccccc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 98072776 CRRXMWJPHSZQFG-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB Cc1noc2c1[C@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 102739629 BJZJSCSLARWSIL-HNNXBMFYSA-N 309.369 4.228 0 40 DIAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1C[C@H]2CC[C@H]1C2 106522961 ZXOFTGNSRYCLGG-OFQRWUPVSA-N 312.438 4.109 0 40 DIAB C[C@@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(C)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 118927343 JGPUZUZZOULXJW-QXNZINAFSA-N 320.517 4.387 0 40 DIAB Cc1ccc(CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1 223748639 GKNQKPRNSABOBA-UHFFFAOYSA-N 307.437 4.465 0 40 DIAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1C 225075158 NLMSNAVXWHTAIS-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1cc(C)c(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c(C)c1 225136074 GHIHHRTUBZUMDL-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCOc1ccc(C(=O)[C@H](CN2CCCC2)c2ccccc2)cc1 63370 DQUJPBBWZKHBFK-HXUWFJFHSA-N 323.436 4.148 0 40 DIAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(F)cc1 180302 KHBGFGGWHYKKAI-OAHLLOKOSA-N 307.777 4.258 0 40 DIAB O=C(c1ccccc1)N1C(=O)c2ccccc2OC12CCCCC2 332732 KIWUEIFIZCPDIR-UHFFFAOYSA-N 321.376 4.022 0 40 DIAB Cc1cc(C)n(C(=O)[C@H](Cc2ccccc2)c2ccccc2)n1 387752 FCUKVANKOIMRBN-LJQANCHMSA-N 304.393 4.167 0 40 DIAB Cc1cccc(-c2nnc(-c3cccc(Br)c3)o2)c1 482275 NZFLMTRKVIPTNN-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB COC(=O)c1nc(-c2ccccc2)oc1Nc1ccc(C)cc1 572249 LCIDQHVTJNYYSG-UHFFFAOYSA-N 308.337 4.180 0 40 DIAB CC1CCC(NC(=O)c2cccc3c2-c2ccccc2C3=O)CC1 1423853 ISZGPFNYESHXAA-UHFFFAOYSA-N 319.404 4.207 0 40 DIAB CCOC(=O)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1 1640242 MNRPMAQSHMADRU-UHFFFAOYSA-N 319.744 4.128 0 40 DIAB Clc1cccc(Cl)c1CSc1nnc2ccccn12 3505614 RVNLFMZPAGBSNC-UHFFFAOYSA-N 310.209 4.328 0 40 DIAB C[C@H]1C[C@@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)CN1C 4011835 ADUJECNUNSENPU-WWMYMODYSA-N 323.436 4.099 0 40 DIAB Clc1ccccc1CSc1ccc(-c2ccncc2)nn1 5442366 ZJGILMKQMQQOCV-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CCOc1ccc(C(=O)N(CC)c2ccccc2)cc1OCC 5455441 AJWITHUESRAHRA-UHFFFAOYSA-N 313.397 4.151 0 40 DIAB C[C@H](NC(=O)c1cccnc1Cl)C12CC3CC(CC(C3)C1)C2 5676677 VPXWGJVCNNXYLW-IWERZKIRSA-N 318.848 4.070 0 40 DIAB CC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 7504884 XNUFCKCVVKAJRW-UHFFFAOYSA-N 322.408 4.132 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc(C)cc1 8382748 CTBXYNOHDNODFV-UHFFFAOYSA-N 319.404 4.477 0 40 DIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(F)cc2)cc1 9064429 YIDZABNWVOGMOX-CQSZACIVSA-N 312.388 4.457 0 40 DIAB CCOc1cccc(NC(=O)COc2ccccc2C(C)C)c1 9816282 SHEMUSJDVGBGFF-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB Cc1ccc(SCCNC(=O)Nc2cccc(C)c2)cc1 9875832 LZGBKXZYODDXMN-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(C)c(C)c3)cc2c1 12493177 RKPNNZKDOWBFKI-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB Cc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)n1 12537857 HEHQGDHDOMWZCB-UHFFFAOYSA-N 300.427 4.363 0 40 DIAB Cc1nc2cc(NC(=O)CSCc3cccs3)ccc2o1 12622294 JHCOSJWKDHDUIW-UHFFFAOYSA-N 318.423 4.070 0 40 DIAB O=C(CCn1ccc2ccc(F)cc21)Nc1ccc2cc[nH]c2c1 13727574 ZWEJLFYSZKZFAV-UHFFFAOYSA-N 321.355 4.291 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 13827242 OWVJJGURXHUIBW-AOOOYVTPSA-N 300.830 4.154 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c1 14258417 DWLFWUUVPCFHNA-UHFFFAOYSA-N 310.397 4.232 0 40 DIAB CSc1nc2ccc(NC(=O)Cc3cccs3)cc2s1 14501083 VNOXWALJZWMSEK-UHFFFAOYSA-N 320.464 4.261 0 40 DIAB Cc1cc(Cl)c(CC(=O)Nc2ccccc2F)c(Cl)n1 15190674 WRFRJBXFGJJZHA-UHFFFAOYSA-N 313.159 4.017 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 20455609 ZFKRRDMZTDFXEI-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB COc1ccccc1C1(CNC(=O)C2CCCCC2)CCCC1 21692303 YPFYODHDZNSBSE-UHFFFAOYSA-N 315.457 4.204 0 40 DIAB COc1ccccc1C1(CNC(=O)c2ccc(C)cc2)CCCC1 21692311 CFYXOISZIXDDAO-UHFFFAOYSA-N 323.436 4.245 0 40 DIAB Cc1ccc(SCc2nnc(S)n2-c2ccccc2)cc1 26469513 HSCWPFVRLOYWAQ-UHFFFAOYSA-N 313.451 4.157 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 27740228 YTHNUUDTRFFWJH-UHFFFAOYSA-N 322.364 4.381 0 40 DIAB C[C@@H]1CCc2noc(NC(=O)c3cccc4ccccc34)c2C1 27794685 KGLKPMGVRBVGMW-GFCCVEGCSA-N 306.365 4.205 0 40 DIAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC/C=C/CC[C@H]12 31906006 NVXYQEIQUDSTGK-FAVCQXFFSA-N 320.230 4.380 0 40 DIAB Cc1cccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 32854049 VZXJVSQSLZTILW-KRWDZBQOSA-N 320.396 4.240 0 40 DIAB COc1c(Cl)cc(/C=C2\SC(=S)N=C2O)cc1Cl 33396834 WOUMTBMDJQXRQG-YWEYNIOJSA-N 320.222 4.331 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1[nH]c2ccccc2c1Cl 40143288 JBDXBNCOILLPRM-UHFFFAOYSA-N 306.699 4.352 0 40 DIAB CSCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 58162804 JFAYUFDHEIMGRP-ZDUSSCGKSA-N 300.427 4.161 0 40 DIAB CCCCOc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1 70462839 DDGGKBYMRFCQLU-UHFFFAOYSA-N 312.413 4.317 0 40 DIAB Cc1csc([C@@H]2CCCCN2C(=O)CC2=CCCCC2)n1 72270346 DBSSISUARSBHLI-HNNXBMFYSA-N 304.459 4.396 0 40 DIAB CC(C)c1csc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 72297298 WEMGKQSNWHQMJB-CABCVRRESA-N 318.486 4.329 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccncc1Cl 73846306 ZGYKHXFZCVIINB-UHFFFAOYSA-N 322.795 4.254 0 40 DIAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(Cl)cc1 80344789 INTIPNNKGRPRRV-MRXNPFEDSA-N 317.816 4.236 0 40 DIAB C[C@@H](Cc1cc(F)cc(F)c1)OC(=O)c1c[nH]c2ccccc12 89203487 BVEGNKSDZLQVLF-NSHDSACASA-N 315.319 4.234 0 40 DIAB CCc1ncsc1C(=O)N(CC)Cc1ccccc1Cl 95972767 LOFSPQMYFOPFQD-UHFFFAOYSA-N 308.834 4.021 0 40 DIAB CCc1cc(C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)sc1C 95994004 AYZFTYPXHHOUIC-JKSUJKDBSA-N 323.502 4.333 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC(C(C)C)C(C)C 113951681 PTCNRCRIUXTORV-INIZCTEOSA-N 305.462 4.258 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 113959526 XGBWFRVMRHVFCO-UXHICEINSA-N 323.436 4.346 0 40 DIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C)C1 216353293 JMZCDEGPILBSKP-IUODEOHRSA-N 311.878 4.469 0 40 DIAB CC1(C)C[C@H](NC(=O)c2cc3ccccc3o2)c2ccccc2O1 219946917 NQQYPPBGQRVYPD-HNNXBMFYSA-N 321.376 4.465 0 40 DIAB Cc1ccc(C)c(C(=O)NCCCc2ccccc2Cl)c1 222671783 UMAOYCPNNPQBHT-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC 222864462 MZIRCMCUISXESI-KRWDZBQOSA-N 303.446 4.028 0 40 DIAB Cc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223204742 GQJJLFBYDIPUGN-MRXNPFEDSA-N 307.437 4.212 0 40 DIAB CCC(C)(C)NC(=S)Nc1ccc(Br)c(C)c1 225644230 VHELTRVCTUPHAW-UHFFFAOYSA-N 315.280 4.233 0 40 DIAB CCN(C(=O)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2 226284723 GXWCEPFRNXEMOW-UHFFFAOYSA-N 305.299 4.173 0 40 DIAB COC(=O)C(C)(C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C 260616375 JOBZPHHSTCNHSP-CQSZACIVSA-N 303.446 4.347 0 40 DIAB O[C@@]12CCCC[C@@H]1N(Cc1ccccc1)[C@H](c1ccccc1)C2 1547139826 RIWFQVVQINEPLK-PCCBWWKXSA-N 307.437 4.307 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 129807 DEPHNPPMZIRNBU-UONOGXRCSA-N 317.816 4.293 0 40 DIAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 139522 ODENSRVZLGFMCT-UHFFFAOYSA-N 313.788 4.186 0 40 DIAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2o1 140283 ZLJIPBXDXGRWBI-UHFFFAOYSA-N 312.394 4.175 0 40 DIAB CCC[C@H](C)c1s/c(=N/C(=O)c2ccc(C)cc2)n(C)c1C 406233 MUULCPUPAJPGED-HVCBDAARSA-N 316.470 4.348 0 40 DIAB COc1ccc(O[C@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 514487 FKNAMRRWWCGHPX-CYBMUJFWSA-N 310.353 4.194 0 40 DIAB CCOc1ccc(NCc2cc(=O)oc3c(C)c(C)ccc23)cc1 545371 USNQRMOYEJVPLD-UHFFFAOYSA-N 323.392 4.421 0 40 DIAB biogenic O=C(C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)N1)c1ccccc1 1621672 OMAMGHBETNHQJC-OALUTQOASA-N 321.420 4.043 0 40 DIAB biogenic O=C(c1cccc(CN2CCCC2)c1)c1ccc(F)c(Cl)c1 2515074 LXBURPITSUZFFI-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1cccn2c(C=O)c(-c3ccc(Cl)cc3Cl)nc12 6849360 FSKSIKFIEKRIPA-UHFFFAOYSA-N 305.164 4.429 0 40 DIAB CCN(Cc1ccccc1)C(=S)Nc1ccc(C)c(F)c1 7351464 YNPRDMGZQQXOOT-UHFFFAOYSA-N 302.418 4.353 0 40 DIAB Cc1occc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 7847971 PAHDLKHLKQASBF-IBGZPJMESA-N 320.344 4.369 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cccc1C 11636973 FRXSIURNBZXLRW-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB Cc1cc2cc(CNc3cccc(Cl)c3)c(=O)[nH]c2cc1C 12493432 OMMDUNDSCMPZKM-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Fc1ccc(-c2cn3cc(Br)ccc3n2)cc1F 12546569 BDNKRCRYIAAMLL-UHFFFAOYSA-N 309.113 4.042 0 40 DIAB CON(C)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 12806890 BFICGAVTIOZQDH-UHFFFAOYSA-N 320.392 4.152 0 40 DIAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(F)cc1 15729582 VWSBWEZQJMRIPL-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2F)cc1 15997297 YGXPZOKBSUBRDV-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 16597802 ZNKOKTGJAVMVEP-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB Cc1ccc(CNC(=O)N(C)Cc2ccc(Cl)s2)cc1 17069720 WYXXWPANHKFJBM-UHFFFAOYSA-N 308.834 4.052 0 40 DIAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N)c1 19736684 JRLCGGRSASPQAP-UONOGXRCSA-N 312.413 4.188 0 40 DIAB O=C(Nc1ccccc1-c1cccs1)[C@H]1Cc2ccccc2O1 24780319 OVPKVAYNYZTEQR-QGZVFWFLSA-N 321.401 4.357 0 40 DIAB Cc1nc(NC(=O)c2cccs2)sc1-c1ccccc1 31968363 OSHIHBYCHGKFHX-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccccc2Cl)C1 40287026 URSUTORTSWSOIW-ZDUSSCGKSA-N 324.771 4.044 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 40312014 CCMZSOCCMZBKQK-NSHDSACASA-N 311.410 4.457 0 40 DIAB CC(C)CC(=O)Nc1cccc(CNC[C@H]2CC=CCC2)c1 78702867 BTQDWIFRMGKQRW-INIZCTEOSA-N 300.446 4.117 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2CCCC[C@@H]21 79538489 ONHANSWVRKTECF-MFKMUULPSA-N 315.310 4.249 0 40 DIAB Fc1c(F)c(F)c(OC(Cl)(Cl)Cl)c(F)c1F 95215410 IGTMXEZDHQIKPK-UHFFFAOYSA-N 301.425 4.089 0 40 DIAB Cc1cccc(CCCNC(=O)Nc2ccc(Cl)cc2)c1 96702549 UDCMAZLTJWHLGG-UHFFFAOYSA-N 302.805 4.403 0 40 DIAB CC(=O)N(C)Cc1cccc(NCc2cccc(Cl)c2F)c1 133266029 ZUZCGUOWJOFYLP-UHFFFAOYSA-N 320.795 4.070 0 40 DIAB Cc1nc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cs1 206669668 JLQJDMQYGTXHSK-CQSZACIVSA-N 318.417 4.001 0 40 DIAB COc1cc(C)c([C@@H](C)NC(=O)c2cccnc2)cc1C(C)C 223387411 SVPUPLHQHNVTLE-CQSZACIVSA-N 312.413 4.013 0 40 DIAB CCC(=O)n1c2c(c3cc(Br)ccc31)CCCC2 227158040 SMJXLEGASZUDDM-UHFFFAOYSA-N 306.203 4.333 0 40 DIAB Cc1ccc(/C=C/C(=O)NCCSC2CCCCC2)cc1 409411135 DAFBOQKEGPJPKD-VAWYXSNFSA-N 303.471 4.190 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccc2ncsc2c1 585148122 OTRHZCYDSLJSPQ-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB OCc1cc(-c2cccs2)nc2cc(Br)ccc12 685936807 ANFKLBBUXUAESB-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB O=C(Nc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 1326419 RQJZDMFBGPREBP-UHFFFAOYSA-N 321.380 4.239 0 40 DIAB COc1ccc(C(=O)NCC23CCC4C[C@H](C[C@@H](C4)C2)C3)cc1 2368514 DJQLABPNIOEGHE-KMFGOTIKSA-N 313.441 4.032 0 40 DIAB Fc1ccc(-n2c(SC(F)F)nnc2-c2ccccc2)cc1 3273168 RFTZFNRMQBTILS-UHFFFAOYSA-N 321.327 4.388 0 40 DIAB O=C(Cc1cccc2ccccc12)NCc1ccc(Cl)cc1 3480014 FTLBQXDFTQZPEX-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB CC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 3571945 KNYJRCCYPMXABX-NSHDSACASA-N 315.244 4.052 0 40 DIAB CCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 3603150 YMJBBUOVMOJNDR-UHFFFAOYSA-N 308.208 4.486 0 40 DIAB CCc1cccc2sc(NC(=O)c3cccc(F)c3)nc12 4348317 BHAYQMWJRMBZSN-UHFFFAOYSA-N 300.358 4.250 0 40 DIAB CC(C)CNC(=O)c1cc2sccc2n1Cc1ccccc1 4970983 NEDMTRAGQLOTKK-UHFFFAOYSA-N 312.438 4.137 0 40 DIAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc2ccccc2c1 5559624 PGWOHGJDGIMGFC-CQSZACIVSA-N 323.367 4.235 0 40 DIAB S=c1[nH]nc(Cc2nc3ccccc3s2)n1-c1ccccc1 6534214 MBWQEAAWPISIPG-UHFFFAOYSA-N 324.434 4.130 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1 6810439 KPMXXIQPUFCDBW-UHFFFAOYSA-N 321.833 4.111 0 40 DIAB C[C@@H](NC(=O)C1(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 7265179 QDUMJJLHZUZWIL-NEFAXPCMSA-N 323.480 4.439 0 40 DIAB CC(C)c1ccc(-c2nnc(NC(=O)C3CCCC3)s2)cc1 7271558 PPHWWRKWXNHZJS-UHFFFAOYSA-N 315.442 4.457 0 40 DIAB O=C(CCCc1cccs1)Nc1nc2ccccc2s1 7767213 KLERRLHDLNBJBY-UHFFFAOYSA-N 302.424 4.319 0 40 DIAB COc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1F 7919683 ZIEYIGPPZVAVNN-UHFFFAOYSA-N 301.361 4.139 0 40 DIAB CCC[C@H](C)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732909 PXSVYQZEKROGOB-NSHDSACASA-N 309.431 4.017 0 40 DIAB FC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1 12415140 NNYNRIOFYCYKOI-UHFFFAOYSA-N 320.274 4.023 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709602 TWKAFWDAKSNAIQ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H](C)C1 14142269 GDCCPBQTWLHAJQ-JTQLQIEISA-N 306.456 4.052 0 40 DIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1cccs1 15837706 MPHMOGHAOWIJSN-ZDUSSCGKSA-N 308.353 4.395 0 40 DIAB Cc1ccc(C(=O)NCC23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 17837354 ZSDADPFIJFRFIV-MYMYQCDVSA-N 317.860 4.303 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1F 20029735 UHDVJDXWOQCHRU-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 20457539 XEQNOVWVEOTRSR-UHFFFAOYSA-N 324.207 4.031 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(F)c2)c1 20459155 RHYJGZWDNNMLCZ-CQSZACIVSA-N 301.361 4.157 0 40 DIAB COc1cc2c(cc1NC(=O)c1ccccc1Cl)CCCC2 21006022 IEYQEPCGIXPYFH-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CNc1c(C)cccc1C 22894670 KVZARYKYIKGYKX-UHFFFAOYSA-N 318.804 4.016 0 40 DIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1scnc1Cl 40150411 PGUYHPLRFNESRR-UHFFFAOYSA-N 322.600 4.460 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1cccc(C(F)(F)F)c1 40159346 ZVJGSSMETSNBGR-UHFFFAOYSA-N 324.298 4.496 0 40 DIAB Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 48814599 AUKGQJAAKUSNAN-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 58195405 APVKFVRTMLXBGY-HOCLYGCPSA-N 313.397 4.024 0 40 DIAB Cc1nc(CN2CCC[C@@H]2c2ccsc2)nc2ccccc12 58225411 DKEWJVQWAIGQSI-QGZVFWFLSA-N 309.438 4.337 0 40 DIAB CCOc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 72331418 AOTSKSKHVGWAQU-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB CCc1ccc(C)[n+](CCOc2c(Cl)cccc2Cl)c1 74181564 JLZOPJYASRMUON-UHFFFAOYSA-N 311.232 4.231 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H]2CCCC[C@@H]21 79538493 ONHANSWVRKTECF-GWCFXTLKSA-N 315.310 4.249 0 40 DIAB C[C@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 85409042 PDWYLNWXNDZDHG-NSHDSACASA-N 304.187 4.191 0 40 DIAB C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl 95968156 XPUULFNWWCDUDS-GRYCIOLGSA-N 313.272 4.269 0 40 DIAB CN(Cc1ccc(Cl)nc1)Cc1ncc(-c2ccccc2)o1 96444943 GZYQQBAMRVAPJK-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CCc1ccc(NC(=O)CSCc2ccc(OC)cc2)cc1 113935352 ISTCMSYBSZJUJI-UHFFFAOYSA-N 315.438 4.130 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1cncc(-c2ccsc2)c1 206942490 FQCITVDJKNUFNB-VOTSOKGWSA-N 320.417 4.140 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(C)c2C)C(=O)O)c1 225023420 JUQIKXZUMKUEEG-LJQANCHMSA-N 312.409 4.303 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225639736 ATWKOKKDIBMLKU-XAUUPUKJSA-N 319.445 4.398 0 40 DIAB Cc1cc(Br)ccc1C(=O)C(F)(F)C(F)(F)F 575243226 VIEPDXOECPFZCZ-UHFFFAOYSA-N 317.051 4.138 0 40 DIAB C[C@H](C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 70 MITFXPHMIHQXPI-VIFPVBQESA-N 301.729 4.336 0 40 DIAB biogenic,investigational C[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1 162 GDDYCOSWVJRUHM-NSHDSACASA-N 315.244 4.196 0 40 DIAB in-man CC(C)[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 489694 SFAMBPYBOIWAJU-KRWDZBQOSA-N 309.475 4.099 0 40 DIAB biogenic CCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2)c(C)c1 568426 FWRNRAKQKFXDAF-SDNWHVSQSA-N 308.425 4.493 0 40 DIAB Cc1c2c(=O)oc3ccc(Cl)cc3c2nn1-c1ccccc1 1590310 LKCLRIICXHTVAK-UHFFFAOYSA-N 310.740 4.094 0 40 DIAB COc1ccccc1NC(=S)Nc1ccccc1OC(F)F 2735335 ODPOXUGENOHUTC-UHFFFAOYSA-N 324.352 4.106 0 40 DIAB CCN(CC)c1ccc(C(=O)NCc2cccc(Cl)c2)cc1 3335488 HOCXXFWNMBVHOK-UHFFFAOYSA-N 316.832 4.116 0 40 DIAB COc1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl 3598397 ZRCXIFJDLZXYOS-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1CCCCC1 4138170 LWCYZXBYZAYLLW-UHFFFAOYSA-N 310.441 4.243 0 40 DIAB CSc1ccccc1C(=O)Nc1nc2c(F)cccc2s1 4517450 KNYHXEYSLVAWFM-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)c1ccco1 4536616 ZIVDPUJHQKDXPM-UHFFFAOYSA-N 312.369 4.051 0 40 DIAB CCOc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 4551481 CUHGVFIVMQOADK-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB C[P@@](=O)(O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 4844143 KMHLVUNYCANPKI-QMMMGPOBSA-N 322.141 4.141 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)cc1 7312599 WVWFWFIGSCUBMY-INIZCTEOSA-N 301.361 4.024 0 40 DIAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(Cl)cc1 8719008 MCFCZMBDHIDVMU-LBPRGKRZSA-N 318.804 4.188 0 40 DIAB Cc1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)on1 9446762 DOYSZWLCICPNHU-HNNXBMFYSA-N 313.426 4.320 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc(F)c(F)c1 12545059 DRODMJKXLBSMTA-UHFFFAOYSA-N 318.710 4.419 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1cc(C)ccc1C 14573694 LTMHEKVCQFIHSJ-LPQFERQCSA-N 309.409 4.203 0 40 DIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c2C1 15497762 KGWYZCAFSLKDOU-CQSZACIVSA-N 318.420 4.223 0 40 DIAB Cc1cc(C)n(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)n1 17066370 LCVDLTHJJWCPCG-UHFFFAOYSA-N 324.331 4.026 0 40 DIAB CCOc1ccccc1Nc1cc(C)nc2ccc(C(=O)O)cc12 19691610 LAZYQNORLCNFDZ-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@@H]2c2cccc(Cl)c2)s1 19927568 PFXYOOGPKLQLML-TVQRCGJNSA-N 324.858 4.272 0 40 DIAB CC(C)[C@H](C)NC(=O)c1cccc(OCc2ccc(F)cc2)c1 21872088 SCDPTBGDQHZQGK-AWEZNQCLSA-N 315.388 4.179 0 40 DIAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccccc1 22768680 QVVFPPDOCWZCFI-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2F)c1 22906786 LZDUIPWEAZCBGX-CQSZACIVSA-N 301.361 4.157 0 40 DIAB CCCn1ccnc1SCC(=O)c1c(C)[nH]c2ccccc12 23295567 RVLQCNXDAHWTSW-UHFFFAOYSA-N 313.426 4.058 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)N3CCCc4ccccc43)cc12 28226401 KSAGRQCVHAQMHC-UHFFFAOYSA-N 318.420 4.388 0 40 DIAB O=C(c1cc2ccccc2s1)N1CCO[C@H](c2ccccc2)C1 30765935 IZUBVEOYLZENGJ-INIZCTEOSA-N 323.417 4.115 0 40 DIAB CC[C@H](C(=O)Nc1cc(C)nn1C1CCCC1)c1ccccc1 32609641 HKPSRKVDGSCDQM-KRWDZBQOSA-N 311.429 4.439 0 40 DIAB CCCCC(=O)Nc1cc(C(=O)c2ccccc2)ccc1OC 41365874 MEZRGKGMNKSANC-UHFFFAOYSA-N 311.381 4.055 0 40 DIAB Clc1ccc(CNCc2ccnc(N3CCCCC3)c2)s1 69711141 CUODWBGPXFQCDQ-UHFFFAOYSA-N 321.877 4.077 0 40 DIAB CC[C@@H](C(=O)NCc1cccnc1-c1ccco1)c1ccccc1 225659671 WZIIIAWOFXVFQW-QGZVFWFLSA-N 320.392 4.152 0 40 DIAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cn1 225860925 IOYLGAREHOCRBK-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 35986 CDPPLUXLEPLBEO-RISCZKNCSA-N 324.262 4.394 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 248033 AIQFMLWABGCAHE-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB Cc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 351712 FZDBIXZWFRUBIH-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB CCOC(=O)c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 365569 LMMUHSLSKXOZNG-UHFFFAOYSA-N 309.793 4.036 0 40 DIAB Cc1ccc(-c2nnc(-c3ccncc3)n2-c2ccccc2)cc1 411330 CNZQOSCNEYFWFF-UHFFFAOYSA-N 312.376 4.305 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)CCCC2 1018266 LQUKQZGVVRDRFS-INIZCTEOSA-N 307.437 4.375 0 40 DIAB CCOC(=O)[C@@H](c1ccc(C)c(C)c1)C(Cl)(Cl)Cl 1632812 ONIROLQWLUGNKE-LLVKDONJSA-N 309.620 4.320 0 40 DIAB CC(=O)O[C@@H](c1ccccc1Cl)C(Cl)(Cl)Cl 1689862 SQIAJTBVHQYVPU-VIFPVBQESA-N 301.984 4.314 0 40 DIAB O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 3260402 NYYLBJDRNSRGFM-MDZDMXLPSA-N 324.767 4.291 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 3885080 JEPMFTHJOIMUBS-VAWYXSNFSA-N 305.333 4.403 0 40 DIAB CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4081894 YLFRRPUBVUAHSR-KGNSMVPNSA-N 314.469 4.435 0 40 DIAB biogenic COc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1 4137725 ACSPLHJBBXVIAC-UHFFFAOYSA-N 317.439 4.384 0 40 DIAB CCc1ccc(CN2CCC(Nc3ccccc3F)CC2)cc1 4817065 TTXXYGHZQDSFIE-UHFFFAOYSA-N 312.432 4.465 0 40 DIAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(C)c(F)c2)c1 6397085 NSFLUTBOJKRYMQ-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccn2)cc1 7884828 AIIYZRBVJSDTIQ-LJQANCHMSA-N 315.376 4.161 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8238386 FUSDMFVZOREPAM-AWEZNQCLSA-N 323.392 4.251 0 40 DIAB CCOc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 9816308 CJFBHLFHRFRFEP-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB Cc1cc(NC(=O)[C@@H](C)Sc2ccc3ccccc3c2)on1 10997104 XHCJMKIFZRMCFC-GFCCVEGCSA-N 312.394 4.256 0 40 DIAB Cc1ccc2cc(CNc3cc(Cl)ccc3C)c(=O)[nH]c2c1 12492403 WAIOXLRGQVARIV-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 12527766 QRLRDAZSWIPILJ-UHFFFAOYSA-N 302.377 4.238 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1 12896970 PJOMUCWKUSONLS-UHFFFAOYSA-N 304.393 4.181 0 40 DIAB COc1ccc(-c2nc(NC(=O)CC(C)C)sc2C)cc1 12951127 DIKQWXHSEHDRPL-UHFFFAOYSA-N 304.415 4.112 0 40 DIAB CC(C)c1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1 14794883 MRTYIIJAYUYHHF-UHFFFAOYSA-N 308.337 4.079 0 40 DIAB COc1ccc(C)cc1CC(=O)Nc1ccc(C(F)(F)F)cc1 15624475 IGKCFZYCSLGBEJ-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1 32905160 OULROMHPHBXQAN-UHFFFAOYSA-N 318.424 4.151 0 40 DIAB CCOc1ccccc1NC(=O)N(C)Cc1ccccc1Cl 40098779 CALWMURNBVSGAZ-UHFFFAOYSA-N 318.804 4.403 0 40 DIAB CCCc1ccc([C@@H](O)c2ccc(Br)cc2)cc1 40255580 NMUPCOKOOVEDBU-MRXNPFEDSA-N 305.215 4.483 0 40 DIAB CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)cc1F 43333115 SAXBYFYUJCSUGW-NSHDSACASA-N 320.339 4.246 0 40 DIAB CC1CCC(N(C(=O)Cc2cccc3cccnc23)C2CC2)CC1 65903676 SBXUFXNTPKLMIS-UHFFFAOYSA-N 322.452 4.347 0 40 DIAB Cc1nnc([C@@H](C)N2Cc3ccccc3-c3ccccc3C2)o1 69518932 PCGIWPQYBXUAHE-CYBMUJFWSA-N 305.381 4.122 0 40 DIAB CC(C)c1nc(C[S@@](=O)[C@H](C)c2ccccc2F)cs1 89893567 JJYVPUISXUGVDJ-GIPWTMENSA-N 311.447 4.416 0 40 DIAB C[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 89927279 PBDLBYMFASZGIH-DTWKUNHWSA-N 320.742 4.062 0 40 DIAB CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 95968436 HRAAAVFWZYJICW-RHSMWYFYSA-N 312.413 4.045 0 40 DIAB C[C@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 96012919 OXFBZBMDWQSVFE-NSHDSACASA-N 308.397 4.463 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 96182990 CGGDTDHDBXQOIL-UHFFFAOYSA-N 323.396 4.259 0 40 DIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](CO)C3 101677843 HHAMKMUMKLXDFQ-UMTOMPLCSA-N 320.473 4.092 0 40 DIAB biogenic C[C@H]1CC(C)(C)OB(OCCc2ccc(Cl)cc2Cl)O1 195792490 ZIRVUORDTZXFKK-JTQLQIEISA-N 317.021 4.141 0 40 DIAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(OC)cc2)c1 222789386 QSLSEVLMQOMIQO-UKTHLTGXSA-N 323.436 4.150 0 40 DIAB CCCc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 223371427 NRNZAXDQSFBZRQ-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226236049 QDTJAVHLCZHPQB-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2c(C)cccc2[C@H](C)CC1(C)C 260619474 MMLUTDKQRPYHLD-ZBFHGGJFSA-N 303.446 4.285 0 40 DIAB C[C@@H]1Oc2c(ccc3cccnc23)[C@H](C)N1C(=O)c1ccccc1 408733735 PJBWENPZWOIDDN-KBPBESRZSA-N 318.376 4.177 0 40 DIAB CCN(CC)C(=O)c1ccc(COc2cccc3ccccc23)o1 115394 CPKSYSDAOFAEQQ-UHFFFAOYSA-N 323.392 4.494 0 40 DIAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1 144062 MQJAXNMWWCUVRE-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB Sc1nnc(-c2cccs2)n1-c1cccc2ccccc12 554961 ZUJJJDSBRBEHBQ-UHFFFAOYSA-N 309.419 4.438 0 40 DIAB CN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(Cl)cc1 819507 CVBJDSYMEUHPRF-UHFFFAOYSA-N 311.816 4.362 0 40 DIAB CCOC(=O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 1667664 KVQSBNFCXUBTDR-UHFFFAOYSA-N 307.349 4.087 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)(F)F)cc1 2631411 IISMKYYEHUKJMC-UHFFFAOYSA-N 321.298 4.326 0 40 DIAB CC(C)CCNC(=O)c1cc(-c2ccco2)nc2ccccc12 3215313 UHFRTKPULNROCN-UHFFFAOYSA-N 308.381 4.271 0 40 DIAB O=C(CSc1ccccc1)Nc1ccccc1C(F)(F)F 3234399 ZQVSKPJWDFWYTF-UHFFFAOYSA-N 311.328 4.436 0 40 DIAB CCOc1ccccc1NC(=O)CNc1cccc(Cl)c1C 3411953 KPOMJGIGZXNAJO-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1 4070148 VIKJCNJTYCYUOC-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB CCc1ccc(C(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)cc1 4435158 WSOMNKCGDBGZLT-CYBMUJFWSA-N 322.360 4.006 0 40 DIAB CC1=CC[C@@H]2CO[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@H]1C2 4587593 TZFCVBGVAMRQAM-JBACZVJFSA-N 306.429 4.066 0 40 DIAB CCOc1ccccc1NC(=O)CCc1c[nH]c2ccccc12 5464590 ZBQKZLAVZXALDX-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB Cc1cc(OC(=O)c2ccccc2)n(-c2cccc(Cl)c2)n1 6880714 YYEAETGSKBWQIF-UHFFFAOYSA-N 312.756 4.053 0 40 DIAB C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCC1 7225228 AVKHYXFYBTZONI-CYBMUJFWSA-N 308.381 4.009 0 40 DIAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 7540761 XEBWVBWRGWAKEV-OAHLLOKOSA-N 307.393 4.290 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)o1 7967683 JIYYISSADPNSMM-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB Cc1ccc(N(CC(=O)c2ccccc2)C2=NCCCC2)cc1 8411761 WKUWHWLVSUTURQ-UHFFFAOYSA-N 306.409 4.267 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 8942172 MNFFVFMOOGBQKQ-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB Cc1c(CN2C[C@@H](c3ccccc3)C3(CCCCC3)C2)cnn1C 12233876 YPCDZUZLFZQWPA-FQEVSTJZSA-N 323.484 4.278 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1 21171032 JPWSEUJWSSPBPJ-LJQANCHMSA-N 324.424 4.257 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc1C 29318854 NJZUHHJYQLMRCK-ZDUSSCGKSA-N 302.805 4.396 0 40 DIAB Cc1cccc(C)c1OCCC(=O)N[C@H](C)c1cccs1 32816158 CAWIEBHDXONJAR-CQSZACIVSA-N 303.427 4.011 0 40 DIAB c1ccc([C@@H]2NCc3c(sc4c3CCC4)-n3cccc32)cc1 32919307 MSYVDIVUDJELJJ-SFHVURJKSA-N 306.434 4.220 0 40 DIAB CC[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 33232309 DTYXJHQAHDLIPA-HNNXBMFYSA-N 320.392 4.265 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 36728908 QVJVOFSHNJEROW-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB OCc1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 43490070 SPWBEMJEMAKRLK-UHFFFAOYSA-N 301.144 4.204 0 40 DIAB Cc1ncc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 58365926 AIYNCEICPKBLHD-QGZVFWFLSA-N 322.433 4.165 0 40 DIAB COc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1OC 68933416 UGYPGVDHQZGUNJ-UHFFFAOYSA-N 323.751 4.057 0 40 DIAB Cc1ccc([C@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)s1 71908107 CDQOWQJOHBHSSB-ZWNOBZJWSA-N 318.269 4.304 0 40 DIAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH]c1=S 72218297 BRVKOUOAPVIIPY-MRXNPFEDSA-N 312.438 4.420 0 40 DIAB Cc1ccc(-c2noc([C@@H](C)Sc3ccccn3)n2)cc1F 84185390 CTJFHBHAWFFXJM-LLVKDONJSA-N 315.373 4.432 0 40 DIAB CCCc1nnc(CSc2nc3ccccc3n2CC)s1 89960565 VEWXRAKVKVTYAQ-UHFFFAOYSA-N 318.471 4.153 0 40 DIAB CCCCC[C@@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100742411 PXYJMKXLGSFPLG-UYKLPWQDSA-N 308.462 4.363 0 40 DIAB biogenic Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223216332 MHSHJAQJNLNAOQ-MRXNPFEDSA-N 307.437 4.212 0 40 DIAB CCc1ccc(OCCNC(=O)c2ccc(C)cc2Cl)cc1 225004557 VZKWPAXUAZREEM-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@H](C)C1 225633628 MPXSFKCAJYAVAM-KXBFYZLASA-N 319.445 4.255 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(C)c2)cc1 225639127 CGMMLMZIEKVWFU-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)c3ccccc3)o2)cc1N 226304043 NVPWITYLMUYTHJ-UHFFFAOYSA-N 306.365 4.114 0 40 DIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)Nc1cccs1 618256884 NFZVRBTYNCXKML-LBPRGKRZSA-N 318.423 4.356 0 40 DIAB O[C@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139796 ASUIJTQOWIPBJV-CMOCDZPBSA-N 321.464 4.206 0 40 DIAB CC(=O)Nc1ccc(Nc2cc(C3CCC3)nc(C3CC3)n2)cc1 1888883431 QEPGQGNCYIOYPR-UHFFFAOYSA-N 322.412 4.324 0 40 DIAB CC1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 559748 LUCHMWNWHXFZLA-UHFFFAOYSA-N 312.388 4.314 0 40 DIAB C[C@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl 1389063 TXXDVXDGMLDNLY-JTQLQIEISA-N 322.191 4.421 0 40 DIAB CCc1ccc2c(CC(=O)NCc3ccc(C)cc3)coc2c1 3455883 VMHYLDMRKBKAHP-UHFFFAOYSA-N 307.393 4.163 0 40 DIAB C[C@H](S[C@@H](CC(=O)c1ccccc1)c1ccccc1)C(=O)O 4321785 FTUNWZNRNFJXGG-GUYCJALGSA-N 314.406 4.207 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3c(F)cccc3F)nc12 4331363 QVLQTACOFLHDRJ-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB CCOc1ccccc1-c1nnc(SC)n1-c1ccccc1 4710657 UYDIZSBZRSGGCE-UHFFFAOYSA-N 311.410 4.055 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)cc2)C1=O 6657292 KCIDWPJWQVUVTE-YGRGUWMTSA-N 319.426 4.310 0 40 DIAB Cc1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 8304682 YRJCFPXMGMLWKD-UHFFFAOYSA-N 309.340 4.324 0 40 DIAB COc1ccccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 8324156 LMMVQGYOZXTSAK-NSHDSACASA-N 301.411 4.134 0 40 DIAB O=C(Nc1ccc(Cl)cn1)c1cc2cc(Cl)ccc2o1 9341362 RPHJODPRTMNNSX-UHFFFAOYSA-N 307.136 4.387 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2c1C 9548506 NCMJKHWOUKMNNC-DOTOQJQBSA-N 310.441 4.437 0 40 DIAB CCOc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 12757571 ZJQWFVUAZNVHMF-UHFFFAOYSA-N 316.426 4.063 0 40 DIAB Cc1ccc([C@H](NC(=O)NCC(C)C)c2cccs2)cc1 12981109 ACWFUSZKHMFGRN-INIZCTEOSA-N 302.443 4.101 0 40 DIAB CC(=O)c1cccc(O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)c1 15108343 VGXAHDZSPYTWMF-AWEZNQCLSA-N 308.377 4.028 0 40 DIAB O=C(c1ccccc1)N1[C@H]2CCCC[C@@H]2S[C@@H]2CCCC[C@@H]21 16039407 OVVFTWHENPMSBS-XLAORIBOSA-N 315.482 4.498 0 40 DIAB COc1ccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)cc1 19927242 DHIIPGJCYKLXCY-SFHVURJKSA-N 313.422 4.091 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1 20025703 WCPDORJIWGCXTO-NSHDSACASA-N 323.314 4.205 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20137617 QRSYGMNDEXFVOD-UHFFFAOYSA-N 317.772 4.414 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C)C1 20490412 URJKFHTXVUQXNI-KXBFYZLASA-N 311.425 4.256 0 40 DIAB O=C(CCc1ccsc1)NCc1ccc(Cl)cc1Cl 21889522 ZYNDOYMHFDSKSN-UHFFFAOYSA-N 314.237 4.304 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 22534840 YDWPLBZFNOGPSI-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1 30867657 GUBQZTGHFGJUMW-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)n1 31121808 AETAQDNXMGHPCH-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1F 32795234 FPCRRPDOHUKJHQ-NWDGAFQWSA-N 321.779 4.124 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 38756276 CUQAJAMNPYEAFZ-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1C 38835170 ASNPWLLFRKXZOX-LJQANCHMSA-N 322.452 4.154 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 40097118 JSUNECUFIGYMAO-QWRGUYRKSA-N 316.323 4.095 0 40 DIAB CCCCS(=O)(=O)Oc1c(Cl)cc(Cl)cc1Cl 40566657 NYRTYBNKNVRXED-UHFFFAOYSA-N 317.621 4.156 0 40 DIAB in-vitro Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 59351612 NLAOTBWMEAALRR-SJORKVTESA-N 311.425 4.257 0 40 DIAB CC(C)(C)c1ccc(O)c(NC(=O)c2nccc3ccccc23)c1 60201261 SZONGEAERCIROP-UHFFFAOYSA-N 320.392 4.490 0 40 DIAB Cc1cccc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)n1 72240182 AAGKWBDWIIXFSN-UHFFFAOYSA-N 310.353 4.176 0 40 DIAB O=C(NCC1CCCCC1)c1cnc(-c2ccccc2F)s1 78702648 DPSIIPPMKHVQDI-UHFFFAOYSA-N 318.417 4.259 0 40 DIAB c1ccc(NCc2csc(C3CC3)n2)c(CN2CCCC2)c1 96482785 UMTSGXRDGYEYFA-UHFFFAOYSA-N 313.470 4.228 0 40 DIAB COc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1 96702553 GHEKJOZRWNVPIK-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB C[C@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 118917928 OTTDRBNUMLADAX-TZPFWLJSSA-N 304.474 4.205 0 40 DIAB CCCCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223792144 NCSTVLSSCDTQQP-SFHVURJKSA-N 303.446 4.029 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589304 ITLVZDRCJPVFPV-QMMMGPOBSA-N 310.608 4.173 0 40 DIAB CC[C@H](NC(=S)Nc1ncccc1C)c1ccc(C)cc1C 225717160 NHURRWPSNQWKOM-INIZCTEOSA-N 313.470 4.445 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251192544 CTZNUJIBAUPQPV-GIPAHHNCSA-N 323.436 4.302 0 40 DIAB CC[C@H](C(=O)NCc1cncc(-c2ccoc2)c1)c1ccccc1 575620391 MTDNMMSUYNAPJW-IBGZPJMESA-N 320.392 4.152 0 40 DIAB Cc1nn(-c2ccccc2F)c2c1C(=O)C[C@@H](c1ccccc1)C2 107178 MRZOETDLMHTGJW-HNNXBMFYSA-N 320.367 4.233 0 40 DIAB Cc1cccc(C2=N/C(=C/c3cccc(OC(C)C)c3)C(=O)O2)c1 370629 CLNVCAXGNNRPLT-LDADJPATSA-N 321.376 4.127 0 40 DIAB O=C(Nc1ccccc1)n1nccc1-c1sccc1Cl 1397740 QGRSQXYAHNIEHJ-UHFFFAOYSA-N 303.774 4.345 0 40 DIAB COc1ccc(Cl)cc1NC(=S)NC1CCCCCC1 2325746 ODOKQMQHMQITMN-UHFFFAOYSA-N 312.866 4.358 0 40 DIAB CCOc1ccc2c(c1)c(-c1csc(NC)n1)c(C)n2C 2358851 JMRVVBSEPASEBY-UHFFFAOYSA-N 301.415 4.051 0 40 DIAB COc1cc(C)c(NC(=O)CCCc2cccs2)cc1OC 5616617 NGUGZGNSOSFGGI-UHFFFAOYSA-N 319.426 4.035 0 40 DIAB O=C(CCCSc1nc2ccccc2[nH]1)c1cccs1 5628242 PWFKRSRFAAKBBJ-UHFFFAOYSA-N 302.424 4.380 0 40 DIAB CCOc1ccccc1-c1cn2nc(CC(C)C)sc2n1 6748247 PHUCPRZTADWQES-UHFFFAOYSA-N 301.415 4.055 0 40 DIAB CN(Cc1ccc(Cl)s1)C(=O)c1cn(C)c2ccccc12 8140144 MWYINFLUXLFJNN-UHFFFAOYSA-N 318.829 4.165 0 40 DIAB COC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1 9218303 IAJRUXPPULLXPL-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 10402238 HHYPTYZLRWOXMR-UHFFFAOYSA-N 317.860 4.358 0 40 DIAB CC[C@H](C)C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 12919087 CZXQKTUPEAJXSH-NSHDSACASA-N 315.442 4.229 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CC1(C(=O)O)CCCCC1 13249304 NBLFXDOWBIUBAA-UHFFFAOYSA-N 309.793 4.012 0 40 DIAB Oc1cc(-c2ccccc2Cl)nn1-c1nc2ccccc2o1 14607859 JUBBKUDQZCODNI-UHFFFAOYSA-N 311.728 4.040 0 40 DIAB CC(C)c1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 15107799 QAYNOLQMOMFBCX-VMPITWQZSA-N 304.806 4.133 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Br)s2)c(F)c1 15574262 FWRPUGNXPVEKAA-UHFFFAOYSA-N 314.179 4.210 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(N)cc2)c(C)c1 17025065 UHFAAPNMVLDBQC-CYBMUJFWSA-N 300.427 4.005 0 40 DIAB Fc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1 19334656 FZWKHHSJEGRKPE-OAHLLOKOSA-N 318.442 4.417 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 20493633 CAIZVDNGTOPRNM-MRXNPFEDSA-N 311.425 4.375 0 40 DIAB C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccccc1 21960588 VAOFTRQCMMAQMV-OAHLLOKOSA-N 321.376 4.350 0 40 DIAB CCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 23732714 HRAAKBANKIWTNR-OAHLLOKOSA-N 303.789 4.317 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3ccc(Cl)cc23)c1 34925923 KFOMCDUWQZPFBW-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB O=C(Nc1nc2ccccc2s1)N(Cc1ccco1)C1CC1 37170283 BZRLAAYTNSMGBN-UHFFFAOYSA-N 313.382 4.086 0 40 DIAB O[C@@H](CN1CCC[C@@H]1c1ccccc1)c1ccccc1Cl 46037256 OZDUOFPLUCZIBS-MSOLQXFVSA-N 301.817 4.211 0 40 DIAB CN(c1ccccc1)c1ccccc1NCc1nc(C2CC2)no1 55866443 NBGTYNKKLYUECK-UHFFFAOYSA-N 320.396 4.327 0 40 DIAB COc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1OC 216743818 ULBQXYVCSJANTD-UHFFFAOYSA-N 320.348 4.303 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225613506 KCBMMMPUCJQAIE-SFHVURJKSA-N 307.434 4.234 0 40 DIAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 225940393 RRTJUCJQGIJFPK-UHFFFAOYSA-N 309.409 4.453 0 40 DIAB Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCOCC2)s1 585149259 BJGKNEFSXLRHHZ-HNNXBMFYSA-N 321.467 4.016 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CCCCC2 1586558535 YJKKHTFYQNWIIJ-UHFFFAOYSA-N 313.372 4.112 0 40 DIAB Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1 37809 YWGJFLPOZYUCQR-UHFFFAOYSA-N 320.314 4.443 0 40 DIAB Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 61477 ZGCAGXCKBMZGKQ-GFCCVEGCSA-N 324.449 4.189 0 40 DIAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1Cc1ccco1 70075 JEMDFWPKMWYJLD-SFHVURJKSA-N 322.339 4.185 0 40 DIAB Cc1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1 1401010 KTEOADIHRLJFPR-UHFFFAOYSA-N 312.800 4.289 0 40 DIAB CCN(CC)C(=O)c1cc(-c2ccccc2)nc2ccccc12 1508250 RGZGGNXIINKOCV-UHFFFAOYSA-N 304.393 4.384 0 40 DIAB CC(=O)Nc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1-2 1713508 MNPHXYGDNBICEM-UHFFFAOYSA-N 306.148 4.163 0 40 DIAB COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1C(C)(C)C 2529219 WBDQHTACMQEIFX-RVDMUPIBSA-N 307.393 4.485 0 40 DIAB COc1ccc2oc(C(=O)OCc3ccc(C)cc3)c(C)c2c1 3284015 HYMTUOKYDPMNLH-UHFFFAOYSA-N 310.349 4.415 0 40 DIAB O=C(OCc1ccc(F)cc1Cl)c1ccc2ccccc2n1 3343935 NZWYHRQBGWUSQB-UHFFFAOYSA-N 315.731 4.384 0 40 DIAB c1ccc(N[C@@H]2[C@@H](Nc3ccccc3)N2c2ccccc2)cc1 4235296 MWMUNXPTBJFBNY-PMACEKPBSA-N 301.393 4.383 0 40 DIAB biogenic COc1ccc([C@H](NC(=O)C2CCCCC2)c2ccccc2)cc1 6995300 OMKLUPBTTCWSSM-HXUWFJFHSA-N 323.436 4.481 0 40 DIAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016282 LJPZRZPBKPEFGG-IAGOWNOFSA-N 322.452 4.417 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1 7792602 RZOGBWVAFPDVRH-LJQANCHMSA-N 311.425 4.258 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)no2)cc1 11916412 WOAVNQPUQRIUSB-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 13012533 RZFZFKKMLOQBBX-UHFFFAOYSA-N 324.355 4.288 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)c(C)c1 20111138 ZJUCBORLFWJIMG-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB O=C(NCCCOC1CCCCC1)c1cccc2ccccc12 21971844 ZSISCNRHTXSXTK-UHFFFAOYSA-N 311.425 4.309 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1C 22511490 LKHQUCPCAABTGP-GOSISDBHSA-N 311.425 4.086 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 24961042 WVPQIHKZRHIBQA-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB Cc1cc2ccccc2n1CC(=O)N[C@H](c1ccccc1)C1CC1 25879909 VPEGOEHYVVJRLY-OAQYLSRUSA-N 318.420 4.217 0 40 DIAB COc1cccc(CN(C)C(=O)/C=C/c2cc3ccccc3o2)c1 37132866 IUMJXPMWXSUESU-ZHACJKMWSA-N 321.376 4.113 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCCC3)cc1 57416294 CIODTSDWGXUCKJ-LBPRGKRZSA-N 315.438 4.127 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351218 NGJPLVPRZYDFNW-SJORKVTESA-N 311.425 4.257 0 40 DIAB O=[S@](Cc1ccc(F)cc1)Cc1csc(C2CCCC2)n1 69818041 ULEQWSVAFOIACV-NRFANRHFSA-N 323.458 4.389 0 40 DIAB CN(C(=O)c1cccc(NCc2cncs2)c1)c1ccccc1 97050860 NSMMJSCLRAXYIP-UHFFFAOYSA-N 323.421 4.032 0 40 DIAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1ccccc1)CC(F)(F)F 107488536 UWYNDBKNPLKPIE-SOUVJXGZSA-N 311.347 4.014 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C)cc1C 223029640 JIEHYGZCYPBXLD-LJQANCHMSA-N 309.409 4.119 0 40 DIAB CCCc1ccc(OCCNC(=O)c2ccc(C)cc2C)cc1 225057619 WNJYXQNWZSJXES-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccoc2)cc1 390828251 AOQOGFJBJFBIGM-OAHLLOKOSA-N 321.376 4.030 0 40 DIAB O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1 582156 ZGKRUQCEMHZGKO-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB CCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl 1337833 ZFRYYNOTWVWEKQ-UHFFFAOYSA-N 321.735 4.252 0 40 DIAB COc1cc2ccc(CCNCc3ccccc3)cc2cc1OC 1729400 PFWMODBBBBYBAZ-UHFFFAOYSA-N 321.420 4.189 0 40 DIAB C[C@H]1CCc2cc3c(cc2N1)CC[C@H](C)N3C(=O)c1ccccc1 3844774 YSFOORUETXTNPD-GJZGRUSLSA-N 320.436 4.415 0 40 DIAB biogenic C[C@@]12CCC[C@H]1[C@@H]1CC[C@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CC2 3846873 PVBHAUBUOVCYIN-LQDAGBJNSA-N 322.445 4.185 0 40 DIAB CCCC[C@H](CC)CNC(=O)Cn1c(C)cc2ccccc21 4711066 VDIMHWWUHYQCDM-INIZCTEOSA-N 300.446 4.282 0 40 DIAB CCCCc1nnc(NC(=O)c2ccccc2SCC)s1 4740506 WWVQFPCRZJVUSS-UHFFFAOYSA-N 321.471 4.245 0 40 DIAB O=C(NCCc1ccccc1F)c1ccc(-c2ccccc2)cc1 7545208 WERXKOHPRYZAHB-UHFFFAOYSA-N 319.379 4.465 0 40 DIAB O=C(NC1CC1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 7910270 HEZKJNAFDYLYJG-INIZCTEOSA-N 317.841 4.452 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 8073431 DTFGLYGKXZGZED-UHFFFAOYSA-N 315.457 4.370 0 40 DIAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 8249377 MKWSKXKTURPNED-UHFFFAOYSA-N 304.349 4.115 0 40 DIAB COc1ccc(CN[C@H]2CCSc3ccccc32)cc1OC 8428721 HOESTZZJPCPFTH-HNNXBMFYSA-N 315.438 4.031 0 40 DIAB COc1c(C)cccc1C(=O)Nc1ccccc1N1CCCCC1 9096392 JGKBPSFIOSZGHH-UHFFFAOYSA-N 324.424 4.246 0 40 DIAB CCc1cccc(C)c1NCc1cc2cc(C)ccc2[nH]c1=O 12492444 VBYKMNMSMGPZME-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB Cc1cc(C)c2[nH]c(=O)c(CNc3c(C)cccc3C)cc2c1 12493022 JZFJDAYLLNJHMX-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB COc1ccccc1NC(=O)N[C@H]1CCSc2ccccc21 12980624 IBCNMKQCWPQISV-ZDUSSCGKSA-N 314.410 4.054 0 40 DIAB CC(=O)O[C@@]1(c2ccccc2)CCN(C2CCCCC2)C[C@H]1C 13635203 YHAZEJUWPWABOU-UZLBHIALSA-N 315.457 4.120 0 40 DIAB FC(F)Oc1ccccc1CSc1nc2ccccc2[nH]1 14729363 VRCRNKBBRODMKF-UHFFFAOYSA-N 306.337 4.457 0 40 DIAB O[C@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 14929246 RNYDSULXEGZJTK-IAGOWNOFSA-N 324.449 4.167 0 40 DIAB C[C@H]1C[C@H](C)CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C1 19717990 SOOJUBAOVLBMML-GJZGRUSLSA-N 320.440 4.103 0 40 DIAB FC(F)(F)c1nccc(Oc2cccc(Br)c2)n1 20358026 IGTMJTBSYMLYBV-UHFFFAOYSA-N 319.080 4.050 0 40 DIAB Cc1cc(SCc2nc(-c3cccs3)oc2C)nc(C)n1 24567419 HMKWBVSCWPWSLP-UHFFFAOYSA-N 317.439 4.411 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 59351265 BPFSOXIUFYLHRF-CABCVRRESA-N 315.388 4.087 0 40 DIAB Cc1ccc(C)n1C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 65543009 HQTRIJGHRIFHQR-UHFFFAOYSA-N 322.452 4.071 0 40 DIAB Cc1ccoc1-c1nnc(CN2CCC[C@@H]2c2cccs2)o1 65591451 PHBWJQGJLAZPLE-GFCCVEGCSA-N 315.398 4.037 0 40 DIAB Cc1ccc(-c2noc([C@@H](C)N(C)CCC(C)C)n2)cc1F 69350374 VNLKIRSVMHHLQJ-CYBMUJFWSA-N 305.397 4.223 0 40 DIAB Cc1nc(Cl)ccc1[C@@H]1CCCN1C(=O)c1ccccc1 72217907 KMVJEEHHQFDEGN-HNNXBMFYSA-N 300.789 4.021 0 40 DIAB Cc1oc(-c2ccccc2)nc1Cn1ccc(=O)c2ccccc21 72289839 IBOAMWLRIYCRNE-UHFFFAOYSA-N 316.360 4.013 0 40 DIAB Cc1noc([C@H](C)SCc2cc(-c3cccs3)on2)n1 76323149 MKSCGCOYIUAQLX-QMMMGPOBSA-N 307.400 4.089 0 40 DIAB CCn1nc(C)c(CNc2ccc(CCSC)cc2)c1C 95429009 SPYCQESXYIGPPX-UHFFFAOYSA-N 303.475 4.037 0 40 DIAB O[C@@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@@H]2C[C@H]1CCCC[C@@]13O4 105365141 GMYSGDXPXKUMOX-VMJIZDNZSA-N 318.457 4.131 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1 113959998 GZZZBOQWQQKKJD-WMLDXEAASA-N 315.388 4.169 0 40 DIAB Cc1nc2ccccn2c1-c1nnc(-c2cccc(Cl)c2)o1 216607678 BRKGPIITWXUDCA-UHFFFAOYSA-N 310.744 4.013 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223219633 TVLSOEYTFFFQEQ-BBRMVZONSA-N 319.445 4.129 0 40 DIAB CC(=O)N[C@@H]1C[C@H](c2ccc(C(C)C)cc2)O[C@@H]2CCCC[C@@H]12 257202254 ALBLNGUOUVGIKY-MTQWCTHYSA-N 315.457 4.335 0 40 DIAB CCCN1C(=O)S/C(=C\c2c[nH]c3c(CC)cccc23)C1=O 409148697 ZVBXLAFFSSASNQ-ZROIWOOFSA-N 314.410 4.177 0 40 DIAB Cc1ccc(-n2c(C)cn(C(=O)c3ccccc3)c2=S)cc1 366682 FMSLHNBVUVIBRO-UHFFFAOYSA-N 308.406 4.314 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 429445 MMXGULVVRIJJEO-UHFFFAOYSA-N 324.302 4.105 0 40 DIAB Clc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 524763 RXXBTCDCMJHCEP-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccncc1 532296 SRDLYELOJDRFGJ-UHFFFAOYSA-N 302.333 4.162 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 568258 QJARHXUCTVIHRA-UHFFFAOYSA-N 316.832 4.434 0 40 DIAB Cc1cccc2sc(NC(=O)Nc3cccc(F)c3)nc12 1572817 QFVZSCRBEAXLFG-UHFFFAOYSA-N 301.346 4.388 0 40 DIAB Cc1ccc(C(O)(c2ccc(C)cc2)C2(O)CCCCC2)cc1 1581701 QEXDRFSSMAAEKG-UHFFFAOYSA-N 310.437 4.235 0 40 DIAB CCCCC[C@H]1C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 2375184 OTOSIXWPCRAVKE-QWHCGFSZSA-N 318.442 4.167 0 40 DIAB COc1ccc(NCCC(=O)c2ccc(Cl)cc2)c(OC)c1 2520995 JCPPPKFBTRRFHO-UHFFFAOYSA-N 319.788 4.042 0 40 DIAB O=C(/C=C/c1nc2ccccc2s1)NCC1CCCCC1 3284867 YUQGGARJJNPAQV-ZHACJKMWSA-N 300.427 4.006 0 40 DIAB OCc1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 4025527 LAFZZYUFSKZFOR-UHFFFAOYSA-N 318.829 4.087 0 40 DIAB N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1F 4103672 REHNWDYUEBYKIY-RBCZPYDQSA-N 316.332 4.020 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccccc1F 6933556 PXTPBYHOEYLGRN-LLVKDONJSA-N 307.752 4.194 0 40 DIAB CC(C)n1ncc2c(C(F)(F)F)cc(-c3cccnc3)nc21 8160925 XCLLNAWATUUSOZ-UHFFFAOYSA-N 306.291 4.093 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(C(=O)c2ccccc2)cc1 8393498 NRSVCAHCEAARCD-UHFFFAOYSA-N 321.420 4.370 0 40 DIAB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)O[C@H](C)C3)cc1 8684982 AEQTYHLWMVTNJH-YJYMSZOUSA-N 320.392 4.163 0 40 DIAB Cc1cccc(NC(=O)N[C@H]2CCSc3c(F)cccc32)c1 12745050 DYWWHBMETRDCBZ-HNNXBMFYSA-N 316.401 4.493 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 15366669 UQSKNLICRPPNSP-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2F)cc1 20029732 MCOZWMAMEUCXRB-SNVBAGLBSA-N 307.365 4.178 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 22314639 KKEDVJXQKSGTJZ-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCc2ccccc21 22521880 SCNNZQLIRLPUDS-IBGZPJMESA-N 309.409 4.050 0 40 DIAB O=C(NCCCCc1ccccc1)[C@H]1CCCc2ccccc21 25673109 NKXKMOBWUDWAAS-FQEVSTJZSA-N 307.437 4.246 0 40 DIAB CCOC(=O)c1c(C)[nH]c(-c2nc(C3CC3)sc2C)c1C 28334953 LJOICIOQVPUOFJ-UHFFFAOYSA-N 304.415 4.118 0 40 DIAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C)CC2)cc1 39745095 HXXXZRQZFDVLPJ-UHFFFAOYSA-N 322.452 4.154 0 40 DIAB Cc1cc2oc(=O)cc(CN(C)[C@H](C)C3CC3)c2cc1C(C)C 58394078 TZWLATPMIYYXJE-CQSZACIVSA-N 313.441 4.455 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71326126 QCZWVGLPPAHXLR-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB CC[C@H](Nc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207632 FVHWIJLPMPZHJQ-JKSUJKDBSA-N 306.450 4.426 0 40 DIAB C[C@H](C(=O)Nc1c(F)cccc1N1CCCC1)c1cccs1 78107745 WBCFCVGFYZBSDZ-LBPRGKRZSA-N 318.417 4.230 0 40 DIAB Cc1cccc(C[S@](=O)Cc2cccc(OC(F)F)c2)c1 78555987 XUSQICIFBZLLBF-OAQYLSRUSA-N 310.365 4.045 0 40 DIAB CN(CC1CCCC1)C(=O)c1ccccc1Oc1cccnc1 83859116 NOZAQHLCAOORIZ-UHFFFAOYSA-N 310.397 4.136 0 40 DIAB Cc1ccc([C@@H]2CSCCN2C(=O)Nc2ccccc2)cc1 84148760 JJEFSOAMVXBCFR-KRWDZBQOSA-N 312.438 4.317 0 40 DIAB Cc1cnc(CN2CCc3ccccc3[C@H]2Cc2ccccc2)o1 89702346 QWYCBEJIEFLSOR-HXUWFJFHSA-N 318.420 4.325 0 40 DIAB CCc1nc([C@@H](C)N[C@@H](C)c2ccc(OC)cc2OC)cs1 95422319 ORWYBKLXTRXAJS-NWDGAFQWSA-N 320.458 4.135 0 40 DIAB CC(C)[C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 103073617 NJPIMBSOKRDHJC-FQEVSTJZSA-N 322.452 4.403 0 40 DIAB Cc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1 222661411 UEFVCOUXDRYLCH-UHFFFAOYSA-N 303.405 4.397 0 40 DIAB Cc1ccc(CSCCNC(=O)c2ccc(C)c(C)c2)cc1 224106141 HUZPXFYXOAYILD-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224701550 PMROUHXMMLYMHK-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)c(C)c1 132493 YCZBUCDIDAZHQA-UHFFFAOYSA-N 312.413 4.141 0 40 DIAB aggregator COC(=O)c1ccc(Nc2cc(C)nc3c(OC)cccc23)cc1 142081 ZIERNMGTDBJHMB-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB CCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 405691 USMRXKGQNJTKSV-UHFFFAOYSA-N 323.845 4.254 0 40 DIAB COCc1ccc(COC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 2009667 GQNBIMLHUAWKHJ-IAGOWNOFSA-N 302.414 4.115 0 40 DIAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCC1 2515636 BYYXPVOZQQVDHI-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB CC1CCN(C(=O)COc2ccc(Nc3ccccc3)cc2)CC1 2634814 JQGSJBZLQLWADQ-UHFFFAOYSA-N 324.424 4.068 0 40 DIAB COc1cccc(-c2cc(C(F)F)n3nc(C)c(Cl)c3n2)c1 2787341 GAADDZMJJQBZQH-UHFFFAOYSA-N 323.730 4.304 0 40 DIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 3239443 BUKJHYXPCRWFHT-SFHVURJKSA-N 306.317 4.061 0 40 DIAB Cc1c(C(=O)NCc2ccccc2F)oc2ccc(Cl)cc12 6540224 RAZTTXHVPZBFGW-UHFFFAOYSA-N 317.747 4.464 0 40 DIAB O=C(NCc1ccccc1)c1cc(C2CC2)nc2ccccc12 7916290 LPOBBTNJBVLBPE-UHFFFAOYSA-N 302.377 4.042 0 40 DIAB Cc1ccc(SCCNC(=S)Nc2ccccc2F)cc1 7926722 QWNUELAFISYYST-UHFFFAOYSA-N 320.458 4.213 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)cc1 11637143 WZQWXFHWIMNYAD-SFHVURJKSA-N 313.397 4.108 0 40 DIAB O=C(Oc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 11914864 KNHNAMGSYZYVCB-UHFFFAOYSA-N 317.703 4.353 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 15361043 GUMGHZFIARDCFC-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CCc1cc2c(=O)n(-c3ccc(C)cc3C)c(=S)[nH]c2s1 17054038 CUFMECIEWLAZLY-UHFFFAOYSA-N 316.451 4.289 0 40 DIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(N)c1C 19736245 RPPRFYUHWVKYLP-CYBMUJFWSA-N 312.413 4.108 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1C 20485077 QWTRICNQTVJGII-GOSISDBHSA-N 313.397 4.108 0 40 DIAB CCc1nc2ccc(NC(=O)Cc3cccs3)cc2s1 22254858 PNLJQVUWDZUQIB-UHFFFAOYSA-N 302.424 4.101 0 40 DIAB Clc1cccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 23125436 ZJCRUYNJXAZYTN-UHFFFAOYSA-N 322.755 4.447 0 40 DIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 30011944 HRMNMBJRCCMDCN-UHFFFAOYSA-N 321.380 4.036 0 40 DIAB Clc1ccc(Cc2n[nH]c(SCc3ccccc3)n2)cc1 33978095 PJJAHEPDGJYGSK-UHFFFAOYSA-N 315.829 4.341 0 40 DIAB Cc1ccccc1CSc1nnc(COc2ccccc2)o1 38534919 YQWUPINJZSYOQO-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB Cc1cc(C)c([C@H](O)c2ccccc2Br)c(C)c1 40249241 QGNDBBKXBWZDKI-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(Cl)cc1F 43214372 ACYMJFCBOVEBQJ-UHFFFAOYSA-N 300.757 4.175 0 40 DIAB CC(C)OCc1c(C(=O)N2CCCCCC2)oc2ccccc12 50079121 OVTZEEFNLQKBFF-UHFFFAOYSA-N 315.413 4.374 0 40 DIAB CSc1ccc(Cl)c(C(=O)Nc2nc(C)c(C)s2)c1 69351944 FDIZHVOVEROWKF-UHFFFAOYSA-N 312.847 4.388 0 40 DIAB CCCCN1CCCC[C@H]1c1cccnc1N1CCCCC1 72216127 QHQSVDNWQVMUKM-SFHVURJKSA-N 301.478 4.399 0 40 DIAB c1ccc(-c2csc(CN[C@@H]3CCc4ccccc4C3)n2)cc1 84564644 BJNJCCCXHQLMDG-GOSISDBHSA-N 320.461 4.457 0 40 DIAB Cc1csc(CN(C)[C@H](C)c2ncc(-c3ccccc3)o2)n1 96421153 JUGZZFFLFNHQMK-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB c1ccc(-c2nccc(N3CCS[C@H]4CCCC[C@H]43)n2)cc1 107074947 VLDJJEJDQIHDNE-CVEARBPZSA-N 311.454 4.008 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223207837 HXPSESWOXGEGOI-HNNXBMFYSA-N 323.436 4.454 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1OC 224612641 NLBLABRCJOYXLA-HZPDHXFCSA-N 321.461 4.185 0 40 DIAB Cc1ccccc1-c1c(C(F)(F)F)nn(-c2ccccc2)c1N 225178096 IRLIERUMVSNPQX-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB CCOC(=O)c1cccc(Nc2cc(C)nc3ccccc23)c1 120716 JSCMDZQSKALNCS-UHFFFAOYSA-N 306.365 4.464 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 141691 AOGDFFIVTULNIA-WMLDXEAASA-N 303.446 4.058 0 40 DIAB O=C(c1ccccc1)[C@H]1CN(C2CCCC2)[C@@H]1c1ccccc1 1557504 DYOADTOJACZXAL-VQTJNVASSA-N 305.421 4.485 0 40 DIAB Cc1cc(NC(=O)c2ccccc2Br)cc(C)c1O 3078304 UDDRKKZILGTBQU-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB C[C@@H]1CCCCN1C(=O)COc1ccc2oc3ccccc3c2c1 3293474 SIASOHKQDHULND-CQSZACIVSA-N 323.392 4.366 0 40 DIAB CC(C)(C)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 3444498 JKAKFSFCZMTQEL-UHFFFAOYSA-N 310.369 4.463 0 40 DIAB Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 3577862 JSUXZJFQOJYEQD-UHFFFAOYSA-N 308.208 4.161 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)COc1cccc(Cl)c1 3603928 SDXUNUDYQGDNSP-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148149 MEPAVTXKIDVPPZ-UHFFFAOYSA-N 308.337 4.034 0 40 DIAB COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1C 7069646 VMFBKYTVBFMRNL-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1ccc(-c2noc(SCc3ccc(F)cc3)n2)cc1 7605266 GQXKAYNDTQBRPV-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB Cc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C 7609726 BWBKWEUFGBMZOH-UHFFFAOYSA-N 304.393 4.341 0 40 DIAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8041317 NQWFHWGHOCAAMA-INIZCTEOSA-N 301.361 4.184 0 40 DIAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3)sc2c1 9109693 CJKOGEVAXABYEX-GFCCVEGCSA-N 312.394 4.011 0 40 DIAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)cc1 9482308 RQUMHSYNUISFBG-CQSZACIVSA-N 313.397 4.155 0 40 DIAB COc1cccc(NC(=O)C2(c3cccs3)CCCC2)c1 12157711 NUYZLPLQKAELGG-UHFFFAOYSA-N 301.411 4.207 0 40 DIAB Cc1c(C)n2c3c(c(NC(=O)c4ccccc4)ccc13)CCC2 12296207 NHNBIWCIUPMGJV-UHFFFAOYSA-N 304.393 4.457 0 40 DIAB biogenic Cc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12672994 KYHBUFSRGTXJQT-HNAYVOBHSA-N 308.425 4.063 0 40 DIAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(F)c(F)c1 12782055 DZWLXVZZVUXMLU-MRVPVSSYSA-N 313.706 4.248 0 40 DIAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)oc2c1ccc1ccccc12 14201167 LZGSEVOQMKTRTL-BETUJISGSA-N 323.392 4.144 0 40 DIAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1F 18114746 VLICSSHIGUTPNA-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB Cc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C 19213909 KQHBGMDBUUTCGF-VQTJNVASSA-N 313.416 4.057 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 20109131 TZSFJTLDFRHSGY-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB O=C(Nc1ccccc1O)c1ccccc1Oc1ccccc1 21866425 YGYGZHCNSOUYSB-UHFFFAOYSA-N 305.333 4.437 0 40 DIAB O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1cccs1 23786440 DJUIWEUQCBOACM-LBPRGKRZSA-N 303.452 4.276 0 40 DIAB COc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 24372349 FJAYCSMNTGBRBE-UHFFFAOYSA-N 315.800 4.409 0 40 DIAB Cc1csc(S[C@H](C)c2nc(-c3cccs3)no2)n1 26034775 WGLOSZAAIHVXSI-MRVPVSSYSA-N 309.441 4.416 0 40 DIAB CC[C@@H]1CCc2sc(C(=O)Nc3cccc(C)n3)cc2C1 27655577 BHWPAZPAMOGTCP-GFCCVEGCSA-N 300.427 4.219 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1C 38835219 CWEBYRJBLCDWCZ-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB CCC[C@H](C)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 42512712 USOWDNMWLPOCSG-RYUDHWBXSA-N 322.499 4.347 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1 44846579 LEQYZNQBEWUFQF-INIZCTEOSA-N 309.837 4.289 0 40 DIAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)NC3=O)o2)cc1 59137805 BLOZUNAHWBNUFZ-XYOKQWHBSA-N 317.391 4.063 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 62648388 UMZONTRYBNOYCZ-ZDUSSCGKSA-N 318.804 4.237 0 40 DIAB Cc1cc(N[C@H](CN(C)C)c2ccccc2)c2ccccc2n1 89583062 LEMCKLLHDPKKQK-HXUWFJFHSA-N 305.425 4.258 0 40 DIAB C[C@H]1CCc2[nH]c3c(C(=O)OCc4ccccn4)cccc3c2C1 95350336 UBICWMSRZKAHDM-ZDUSSCGKSA-N 320.392 4.045 0 40 DIAB COc1cc2c(cc1OC)[C@H]1C[C@H](c3ccccc3)CCN1CC2 95561611 SPYSWTOTYSJXHH-VQIMIIECSA-N 323.436 4.181 0 40 DIAB O=C(NCc1csc2ccccc12)N[C@H]1C[C@H]1c1ccccc1 95955040 GKLOYYLFCVYAKR-IRXDYDNUSA-N 322.433 4.257 0 40 DIAB CC(C)(C)[C@H](NCc1nnc(C2CC2)o1)c1ccc(F)cc1F 95985931 DPTQIGFCLHOVCT-OAHLLOKOSA-N 321.371 4.102 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C\Nc1cccc2ccccc12 100486302 VTMAZQFYLSPDJK-AQTBWJFISA-N 314.344 4.097 0 40 DIAB C[C@H]1C[C@H]2CC(=O)[C@H](C)C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 118935731 NBCSMIORBHVFQN-GPXCXJQTSA-N 318.501 4.451 0 40 DIAB CC(C)CO[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140608 SDISJHSIKMBGNC-GOSISDBHSA-N 314.381 4.147 0 40 DIAB COc1cc(C)c(C(=O)N2CCc3ccccc3C2)cc1C(C)C 225656413 KOFSHFQKPZZTKX-UHFFFAOYSA-N 323.436 4.326 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCC(C)CC1 225719535 VPFDGSUYFABFFX-UHFFFAOYSA-N 319.445 4.398 0 40 DIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2C)cc1C 225842306 NVPBTRKRSPGDGI-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CCCC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352457 DDHIJQMKHDIJOH-UHFFFAOYSA-N 307.733 4.037 0 40 DIAB CCc1nn(-c2ccc(Br)cc2)c2ccccc12 2362804622 AFMXGUXZESLVFI-UHFFFAOYSA-N 301.187 4.350 0 40 DIAB CCOc1ccc([C@@H]2Nc3ccccc3C(C)(C)O2)cc1OC 98207 JXDGMHOBNZPQMU-GOSISDBHSA-N 313.397 4.470 0 40 DIAB C[C@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 175166 WUJMHXOCNPCCRH-VIFPVBQESA-N 306.818 4.174 0 40 DIAB CCOC(=O)[C@@H](CC)Sc1nc2cc(C)ccc2cc1C 421037 BEHATQVXBMRXDG-OAHLLOKOSA-N 303.427 4.285 0 40 DIAB CC(C)Oc1ccc([C@H](CC(=O)N2CCCC2)C(C)C)cc1 488681 CDFFRFDEYZWEEU-GOSISDBHSA-N 303.446 4.226 0 40 DIAB biogenic CC(C)c1ccc(OCC(=O)Nc2cccc3cccnc23)cc1 556611 LTSUFUALJUVEGF-UHFFFAOYSA-N 320.392 4.376 0 40 DIAB O=C(CCc1ccc(Br)cc1)c1ccc(F)cc1 2516764 QKWBZXRHYHGLHX-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB c1ccc(CSCCNCCSCc2ccccc2)cc1 3151756 FMFUWFYPONWFSJ-UHFFFAOYSA-N 317.523 4.443 0 40 DIAB CCCN1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21 3831297 YEHCICAEULNIGD-OWQGQXMQSA-N 314.498 4.271 0 40 DIAB CCCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4731537 VHQZMEIJQTZOIA-UHFFFAOYSA-N 316.213 4.050 0 40 DIAB O=C(Nc1ccccc1C(=O)Cc1cccs1)c1ccco1 4788452 JIIKMELBYALNSA-UHFFFAOYSA-N 311.362 4.019 0 40 DIAB CC(C)(C)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 5191327 YNTXHSHXBPRGDC-UHFFFAOYSA-N 320.392 4.078 0 40 DIAB CC(=O)c1cccc(NC(=O)CCSc2ccc(F)cc2)c1 5192881 RZTZTKFQZOQOHE-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCSc2ccccc21 6649140 VNADROUIDVQMCS-QGZVFWFLSA-N 322.433 4.064 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1 8569179 KJTYHAHMKCSFQH-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1C1CC1 9591812 VOWVLYOQMFZFRW-CQSZACIVSA-N 317.458 4.154 0 40 DIAB Cc1nc2cc(NC(=O)Cc3ccc4c(c3)CCCC4)ccc2o1 10031242 WASQSJRSVQNDIQ-UHFFFAOYSA-N 320.392 4.196 0 40 DIAB CC[C@@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1Cl 10851447 AGBZOWDZJPLHKC-CYBMUJFWSA-N 317.816 4.301 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 12640000 QJFOPNOLIOPAPA-URKNILKWSA-N 301.430 4.030 0 40 DIAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccoc1 12987493 ZPDAZFQSSPSMMG-UHFFFAOYSA-N 301.289 4.186 0 40 DIAB Oc1cc2ccccc2cc1-c1n[nH]c(=S)n1Cc1ccco1 13123824 UHTWFKVVFKCPHS-UHFFFAOYSA-N 323.377 4.108 0 40 DIAB COc1cccc2cc(C(=O)Nc3cccc4ncccc34)oc12 13693130 HUIYQIBGEKBZMH-UHFFFAOYSA-N 318.332 4.242 0 40 DIAB biogenic C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 20459774 IBZDNTSGIWIWJE-KGLIPLIRSA-N 317.429 4.325 0 40 DIAB CCCCC1CCC(C(=O)NCCc2csc(C)n2)CC1 27793429 MUQZKVJYPLDWNM-UHFFFAOYSA-N 308.491 4.107 0 40 DIAB Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 33012749 WSCGLTXFZRZFMU-UHFFFAOYSA-N 319.364 4.061 0 40 DIAB O=C(CCc1ccccc1)NCCc1cccc2ccccc12 36392328 MNRHXNJGFWEEDB-UHFFFAOYSA-N 303.405 4.131 0 40 DIAB O=C(NCc1ccsc1)Nc1ccccc1C(F)(F)F 38586756 AMQLYMROKCUHFT-UHFFFAOYSA-N 300.305 4.089 0 40 DIAB O=C(Nc1cccnc1Oc1ccccc1)c1ccccc1F 40087984 GEAFOPFHTQAJMR-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB Cc1cnc(NC(=O)c2c3c(nc4ccccc24)CCCC3)s1 44189095 CODQGJZHNIOEES-UHFFFAOYSA-N 323.421 4.131 0 40 DIAB CCCN(CC(F)(F)F)C(=O)Nc1cccc2cccnc12 58212783 GZRNSUFZENOLRA-UHFFFAOYSA-N 311.307 4.041 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351181 KJAPXXVMDWCQFJ-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1cccc2ccccc12 71280902 OBDNBXQQCHNAGE-GFCCVEGCSA-N 324.361 4.118 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)cc2F)cc1F 71325915 LVYFZVYTQUMPRF-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB CC(C)CN1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216645 LNQWCARFVNGIPJ-GOSISDBHSA-N 301.478 4.255 0 40 DIAB Cc1cc([C@H](N)c2ccccc2)cnc1N(C)Cc1ccccc1 72222366 CIKVFEOMBBNIHE-HXUWFJFHSA-N 317.436 4.075 0 40 DIAB Cc1cccc(CCC(=O)N2CCCC[C@H]2c2nccs2)c1 72285958 RYGXLFUJRGEYDT-INIZCTEOSA-N 314.454 4.138 0 40 DIAB Cc1cnc(NC(=O)Cc2cn(C(C)C)c3ccccc23)s1 72404589 JLIAGWAOYLUREF-UHFFFAOYSA-N 313.426 4.168 0 40 DIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1cccc(Cl)c1Cl 95095898 AMEMVQAREBLVMN-QUBYGPBYSA-N 301.091 4.012 0 40 DIAB CCc1nccn1Cc1csc(Cc2ccc(Cl)cc2)n1 95441066 SLERUOCYYAIOMB-UHFFFAOYSA-N 317.845 4.195 0 40 DIAB C[C@@H]1CC[C@H](OC(=O)c2csc(-c3ccc(F)cc3)n2)C1 95996100 HNMWTAZAOQGHOW-MFKMUULPSA-N 305.374 4.295 0 40 DIAB O=C1CCCc2ccc(NCc3coc(-c4ccccc4)n3)cc21 159608645 ICYSMTPKGPMREZ-UHFFFAOYSA-N 318.376 4.473 0 40 DIAB CCN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 210155282 WCMCNZIBSHYTMP-UXBLZVDNSA-N 302.182 4.050 0 40 DIAB COC(=O)/C=C/c1cccc(OCc2ccccc2Cl)c1 216894996 LDVOOKXKHUNFNR-MDZDMXLPSA-N 302.757 4.105 0 40 DIAB Cc1ccccc1OC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 222635788 IAIYOJIUIYOALI-CYBMUJFWSA-N 318.804 4.237 0 40 DIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)cc1 225743764 DLSDMPKUOYQCJH-GOSISDBHSA-N 307.434 4.399 0 40 DIAB CC(C)C[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C 257319700 VTRCTFHDZYZJMG-OIMSXUDKSA-N 321.505 4.015 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260616377 JRZIODGUNWWWTN-PBHICJAKSA-N 303.446 4.429 0 40 DIAB COc1ccc(CNC2C[C@@H](C(C)C)O[C@H](C(C)C)C2)cc1 524734241 MGRPDMITEUROCW-OALUTQOASA-N 305.462 4.013 0 40 DIAB CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C 117998 DEVCZLMVNZTDTN-AEFFLSMTSA-N 317.429 4.131 0 40 DIAB CCn1c(Cc2ccccc2)nnc1SCc1ccccc1 422424 JPNUVOHSPHSBRO-UHFFFAOYSA-N 309.438 4.181 0 40 DIAB Nc1cccc2c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc12 492744 LXFWPKWRSTYWCW-SJORKVTESA-N 302.377 4.164 0 40 DIAB c1ccc(-c2nn(-c3ccccc3)[n+]3c2ccc2ccccc23)cc1 2555919 WNARJESYHRYXKI-UHFFFAOYSA-N 322.391 4.431 0 40 DIAB CCOC(=O)CCCCC(=O)c1cccc(Cl)c1Cl 2580335 HPMZXRZAFFQFJY-UHFFFAOYSA-N 303.185 4.300 0 40 DIAB CCCC[C@@H](CC)CNS(=O)(=O)c1c(C)cc(C)cc1C 2774853 QJMOHANEQXQQLC-MRXNPFEDSA-N 311.491 4.107 0 40 DIAB O=C(Cc1coc2cc3c(cc12)CCC3)N1CCc2ccccc21 3524956 VQPSSKUHARHATC-UHFFFAOYSA-N 317.388 4.053 0 40 DIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCCC1 4072152 LMMQKJJBVQDOLR-UHFFFAOYSA-N 321.833 4.377 0 40 DIAB CCc1ccc(-c2nc(O)c3c(n2)Oc2c(C)cccc2C3)cc1 4320252 WIRWNKPSJZVVDK-UHFFFAOYSA-N 318.376 4.417 0 40 DIAB O[C@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 4934884 UPUJHZQDODIIMR-XGHQBKJUSA-N 309.453 4.385 0 40 DIAB Cc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)o1 5421074 LOFPECQEFZIFBJ-UHFFFAOYSA-N 319.404 4.379 0 40 DIAB Clc1ccc2[nH]c(SCCOc3ccccc3)nc2c1 5888576 XNKXRKJPWWCRPC-UHFFFAOYSA-N 304.802 4.387 0 40 DIAB C[C@@H](NC(=O)COc1ccccc1)c1ccc2ccccc2c1 6151864 RCQCHUILJNCKKG-OAHLLOKOSA-N 305.377 4.096 0 40 DIAB COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc(C)cc1 6938798 CAVKWYLOZPQZLC-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB Cc1ccc(C)c(OCCC(=O)Nc2ccc3c(c2)CCC3)c1 7814044 WEFPQYHOSMIODH-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1Cl 8497053 BAWJNQOSBJEIKZ-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 9064354 AZDHARIHJPJEBO-UHFFFAOYSA-N 308.425 4.492 0 40 DIAB Fc1ccc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1F 12234075 MQGBMWJUPPIBFX-QGZVFWFLSA-N 313.351 4.178 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]2CCCC[C@H]21 12607565 AQLJYTBMJVDHTI-VQIMIIECSA-N 308.425 4.272 0 40 DIAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)cc3C)c2C)c1 12822271 AMAUKLLTYXNNPU-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1cccc(CNC(=O)CSCc2cc(C)cc(C)c2)c1 13631861 JDKIZEQMNXMVSY-UHFFFAOYSA-N 313.466 4.161 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20038750 CNMWCQVIOZMTPR-VQIMIIECSA-N 311.425 4.338 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1ccc(Cl)cc1 24549302 NEZADJBORVTSGF-UHFFFAOYSA-N 306.745 4.016 0 40 DIAB c1csc(-c2nc(CSc3ncc4ccccn34)co2)c1 26371675 JRTYXHFEXNRBFC-UHFFFAOYSA-N 313.407 4.343 0 40 DIAB Cc1c(Cl)cccc1NC(=O)NC1CC(C)(C)NC(C)(C)C1 32862287 KYAMXZVABGCVJX-UHFFFAOYSA-N 323.868 4.079 0 40 DIAB c1cncc(-c2nnc(S[C@H]3CCCc4ccccc43)o2)c1 32931596 DVUKWBQRKSBLJO-HNNXBMFYSA-N 309.394 4.301 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 33751574 QTBFBYQKRWIEFO-QGZVFWFLSA-N 320.417 4.022 0 40 DIAB Fc1cccc(F)c1CNCc1ccc(Br)s1 38018565 NZGSBJBKEWPFFC-UHFFFAOYSA-N 318.186 4.079 0 40 DIAB COc1cccc(S[C@H](C)C(=O)NCCC2=CCCCC2)c1 40051811 QDCAIHKEVRFVJV-CQSZACIVSA-N 319.470 4.183 0 40 DIAB COc1cc(C)c(NC(=O)N(C)CC2CCCCC2)cc1OC 43404369 YEIZFPWONXRZQU-UHFFFAOYSA-N 320.433 4.056 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 44843499 IQFOVHLSDQKTRG-KDOFPFPSSA-N 315.388 4.169 0 40 DIAB Nc1ccc(O)c(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352770 WLBBRDIPMKSFFQ-UHFFFAOYSA-N 316.360 4.373 0 40 DIAB CCOc1cccc2c(Nc3ccccc3C(=O)O)ccnc12 78401513 BCIOKVSBQOWIPS-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB CSc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 78796585 UQLLPVUCENLKNU-RKDXNWHRSA-N 323.405 4.321 0 40 DIAB FC(F)(F)CC(F)(F)Oc1ccc(Br)cc1 97437830 WLELVSZPIOVAJP-UHFFFAOYSA-N 305.040 4.373 0 40 DIAB COc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2C)cc1 106923087 OOHRYBZQOLVSFZ-KTKRTIGZSA-N 301.773 4.466 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)cc1C 219491052 UTTAACJOPCOGJQ-APWZRJJASA-N 311.425 4.338 0 40 DIAB CCc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222557932 JZZFSPWCMXTJIL-KKXDTOCCSA-N 323.465 4.233 0 40 DIAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1 225090063 GWAWMXFXTDDJFJ-CQSZACIVSA-N 311.164 4.068 0 40 DIAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225847468 PGZHMUHVHFJZBR-UHFFFAOYSA-N 316.426 4.044 0 40 DIAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)O)CCOCC3)cc2)c1 299852639 VPQVULIZXJIFNY-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB O=C(Cc1ccccc1)NCc1nc(C2CCCCC2)cs1 390832046 WTMIOORFHJWQBB-UHFFFAOYSA-N 314.454 4.050 0 40 DIAB O=c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)cn1 120912 GKWXRNMWLWXPRA-UHFFFAOYSA-N 317.175 4.206 0 40 DIAB Cc1cc(C(=O)Nc2sc(C)cc2C(=O)OC(C)C)c(C)o1 1003151 XHGISMHBDRCGKA-UHFFFAOYSA-N 321.398 4.084 0 40 DIAB O=c1c(-c2ccccc2Cl)c[nH]n1-c1cccc(Cl)c1 1400736 GEBWZTNHIQOXFE-UHFFFAOYSA-N 305.164 4.139 0 40 DIAB CCc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 3611740 CSYLJZMRZJVLAG-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB O=C(CSc1ccc(-c2ccccc2)nn1)c1ccccc1 4355430 AZMITAQWUHSOLA-UHFFFAOYSA-N 306.390 4.119 0 40 DIAB CCCCN(CCCC)C(=O)COc1ccc(Cl)cc1C 5465385 BPVYETDLQSMXOK-UHFFFAOYSA-N 311.853 4.456 0 40 DIAB C[C@@H]1CCCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)C1 6468190 ZBCVSLAOZHWZDT-FABDANFUSA-N 305.421 4.486 0 40 DIAB Cc1ccccc1NC(=O)c1nc(SC(C)C)ncc1Cl 6748056 ILMWJQHZPXKQDM-UHFFFAOYSA-N 321.833 4.191 0 40 DIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(F)cc1 7917105 ARLAXTLBCSEUSX-LLVKDONJSA-N 317.389 4.130 0 40 DIAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)nc1 10056583 OQTFGRPGDJCYHM-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Cc1cccc(CSCC(=O)NCc2ccc(Cl)cc2)c1 16024233 JBBKATITJFQRMD-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB O=C(Nc1cnc2ccccc2c1)c1ccc(F)cc1Cl 21136333 SZRZTIOWQNLDQO-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB O=C(CCc1cccs1)Nc1nc2c(s1)CCCCC2 21902187 MULNTIZKQQJLGT-UHFFFAOYSA-N 306.456 4.045 0 40 DIAB Cc1cccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)n1 31967755 XIOVUEDAGQLRJH-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CN1C(=S)S[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 33342880 VWLWUCKZXTYFGA-JKSUJKDBSA-N 314.479 4.279 0 40 DIAB in-vitro Cc1ccc([C@@H](NC(=O)NCc2ccccc2)C(F)(F)F)cc1 40158469 ISZYBKBMJBOYKH-OAHLLOKOSA-N 322.330 4.098 0 40 DIAB CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72348586 KHGIMYFCNGBMNH-HNNXBMFYSA-N 300.833 4.135 0 40 DIAB C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(-n2ccnc2)cc1 78395100 AOIJVIFDXAUOFV-HNNXBMFYSA-N 309.388 4.204 0 40 DIAB O=C(c1cccc2[nH]ccc12)N(CCC(F)(F)F)C1CCC1 84621401 UEUBEVZEODHKFU-UHFFFAOYSA-N 310.319 4.115 0 40 DIAB CCc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)C(C)C)cc1 89284813 MKWQBALJZRHVHS-KRWDZBQOSA-N 310.397 4.176 0 40 DIAB Cc1ccc(N(C)Cc2nccn2Cc2ccccc2)c(C)c1 95360783 IZWUQCKMXRBZPN-UHFFFAOYSA-N 305.425 4.185 0 40 DIAB O=C(c1coc2ccccc12)N(Cc1ccccc1)CC(F)F 95962169 NQGDTRIPDIQWHT-UHFFFAOYSA-N 315.319 4.340 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2ccsc2)c1 95968797 QJKHZCDCKGKKQP-QWHCGFSZSA-N 302.443 4.161 0 40 DIAB c1ccc(-c2nonc2Sc2nc3ccccc3s2)cc1 96180962 VBWQYDXVGXIIFB-UHFFFAOYSA-N 311.391 4.498 0 40 DIAB Cc1nccn1-c1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1F 96479127 QZVPVJIFTPPAJL-OLZOCXBDSA-N 313.376 4.325 0 40 DIAB C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1csc2ccccc12 98086062 FFKCRQWBLQYZHV-JTQLQIEISA-N 321.398 4.116 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103109259 LAATVQURGJINLT-DGAVXFQQSA-N 323.889 4.373 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(F)cc1 223152367 HLXYQNSZRDMTLP-OAHLLOKOSA-N 313.416 4.241 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1=CCCCC1 224127572 NDZMPLIQTMRNIY-OAHLLOKOSA-N 315.457 4.368 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1=CCCCC1 224443180 ZEXXGOLLSZSLQM-MRXNPFEDSA-N 307.821 4.114 0 40 DIAB FC(F)(F)c1cc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)ncn1 1776001145 APWKRUXORBHQED-STQMWFEESA-N 309.335 4.107 0 40 DIAB CCN(CC)c1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 57792 LPGQJMGJXIZHRI-UHFFFAOYSA-N 323.392 4.315 0 40 DIAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(Sc3ccc(Cl)cc3)nn2)n1 91304 XTWLVQHRCXKAID-UHFFFAOYSA-N 316.817 4.084 0 40 DIAB O=C(Oc1ccc(F)cc1Cl)c1cc(Cl)nc(Cl)c1 152786 XJMRTPPUKKXOII-UHFFFAOYSA-N 320.534 4.400 0 40 DIAB COc1ccccc1COC(=O)N/C=C/c1ccc(Cl)cc1 3105688 VAIICKUOWUJZMJ-ZHACJKMWSA-N 317.772 4.246 0 40 DIAB CC[C@H](C)NCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3291324 YQCSRUWKEYPQOD-AWEZNQCLSA-N 323.440 4.141 0 40 DIAB CC(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1 3504323 AYJFUSZJEAZKAU-UHFFFAOYSA-N 319.360 4.060 0 40 DIAB Cc1cc(F)ccc1NC(=O)COc1cccc2ccccc12 3524371 MVVLNSUEMGALKT-UHFFFAOYSA-N 309.340 4.305 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1cccc(Br)c1 3566348 NZPQSGUVHLBUEF-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(O)[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1C(=O)c1ccccc1 4262300 HADMFWZJTNZVQK-RCCFBDPRSA-N 308.377 4.154 0 40 DIAB C/C=C/c1ccc(OCCn2cnc3ccccc32)c(OC)c1 4335224 GNHPUPJDWOASDP-ZZXKWVIFSA-N 308.381 4.157 0 40 DIAB biogenic CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1 4659912 JJKZWPCFMFBUGP-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=S)N(c1ccc(Cl)cc1)N2 4811760 XKRBPEGOFCCSIK-ZBEGNZNMSA-N 323.893 4.082 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)N1CCCc2ccccc21 5380098 PVIKOJFHGUAWDK-UHFFFAOYSA-N 323.436 4.342 0 40 DIAB Fc1ccc(-c2cc(-c3cc(-c4ccc(F)cc4)n[nH]3)[nH]n2)cc1 5479218 HEKISVZTPZPRFQ-UHFFFAOYSA-N 322.318 4.412 0 40 DIAB CC[C@@H]1CCCCN1c1nc(-c2cccnc2)nc2ccccc12 5655773 LPVLEAXAGOGEPL-MRXNPFEDSA-N 318.424 4.461 0 40 DIAB C[C@H](CNC(=O)COc1cccc2ccccc12)c1ccccc1 6010654 NTJUOYKRMOPSKC-MRXNPFEDSA-N 319.404 4.139 0 40 DIAB Cc1cccc(Cn2c(CN3CCCCC3)nc3ccccc32)c1 6665081 CTHJZLXBOHOTQF-UHFFFAOYSA-N 319.452 4.379 0 40 DIAB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 6954234 HFZXILJZBOWVAM-PJIJBLCYSA-N 321.376 4.220 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1ccc(C)c(F)c1 7351314 FGSVDPLQJFARMW-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C 7970973 GEEKYVNJBRWBOB-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB C[C@@H](NC(=O)COc1cccc(C(C)(C)C)c1)c1ccccc1 7975946 GVJFZCGEQLOCRH-OAHLLOKOSA-N 311.425 4.240 0 40 DIAB COc1cccc(NC(=O)NCCc2ccc(C(C)C)cc2)c1 12621717 PCUOKDZOZPQMNJ-UHFFFAOYSA-N 312.413 4.183 0 40 DIAB Cc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 23125435 IKAAAAVKANAZHW-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB CCOC(=O)c1c(C(F)(F)F)cc(-c2cccs2)nc1C 28629497 GRUQGLNKIQVLCM-UHFFFAOYSA-N 315.316 4.314 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCCSCc2ccco2)cc1 31252409 KTDITXJEMZGXLR-UHFFFAOYSA-N 317.454 4.240 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1ccccc1OC(F)(F)F 40267346 JOWBTBUNQYWVBH-XFXZXTDPSA-N 305.255 4.078 0 40 DIAB O=c1ccc(-c2ccccc2Cl)nn1C/C=C/c1ccccc1 44892315 ZEGLDMIYDUPEOJ-RMKNXTFCSA-N 322.795 4.277 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 44904681 CNYDOWJECYSALL-WBVHZDCISA-N 323.436 4.357 0 40 DIAB O=C(Nc1cccc(-c2cnco2)c1)c1cc(Cl)ccc1F 48204948 QUZFYJHUKCXBSC-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CCC[C@H](C(F)(F)F)C1 58424285 YVRJPXRWJMZRFO-LBPRGKRZSA-N 323.318 4.041 0 40 DIAB CCc1cc2oc(=O)cc(CN(C)[C@H](C)CC)c2cc1Cl 65549116 LDSNHIKPNDJPAG-LLVKDONJSA-N 307.821 4.239 0 40 DIAB Cc1ccccc1NC(=O)NCCc1coc(-c2ccccc2)n1 65621335 XZHOQFSCCAAEAV-UHFFFAOYSA-N 321.380 4.014 0 40 DIAB O=C(Nc1ccc(SC(F)F)cc1)NC1CCSCC1 69352074 UJKWCMXWQBLVJR-UHFFFAOYSA-N 318.414 4.018 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1cccc(F)c1C 71325987 CBJIPJBXTQNHLI-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1nc(CNc2cccc(OCC(F)(F)F)c2)cs1 79065900 ALSYIQLPSWLUCY-UHFFFAOYSA-N 302.321 4.005 0 40 DIAB Fc1ccc(Br)c(OCc2ccc(F)c(F)c2)c1 95915299 BZSYFRBPSQHURS-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCSc2ccc(F)cc21 103439517 XPCSUQVVOFAZND-JFILPPLUSA-N 319.445 4.305 0 40 DIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225791940 KHVNTPLIUCJYKE-LJQANCHMSA-N 315.413 4.381 0 40 DIAB Cc1ccc2sc(NC(=O)Cc3ccc(Cl)cc3)nc2c1 1505840544 PTGOPQNBBLPYEZ-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB Cc1nc(-c2cccc(C3CCN(C(C)C)CC3)n2)sc1C 1848355303 GGCDJNFYONNQMZ-UHFFFAOYSA-N 315.486 4.410 0 40 DIAB c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 37984 NWGXQMVEYOMULC-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB Cc1ccc(C)c(OCC(=O)Oc2ccccc2Cl)c1C 148538 QCYAXZCMGIUBOV-UHFFFAOYSA-N 304.773 4.250 0 40 DIAB Oc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 411384 SYQIFIKRAUODHN-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB CC(=O)c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1 1506275 AKHRLRYRUPODHM-UHFFFAOYSA-N 309.148 4.415 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 1839790 OJGQLMYKNBBGGX-UHFFFAOYSA-N 311.381 4.123 0 40 DIAB COc1ccc(OC)c(NC(=O)c2ccc3ccccc3c2)c1 3061368 WSJXICGSKXPDDA-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB CC(=O)c1ccc(OC(=O)Cc2c(Cl)cccc2Cl)cc1 3248874 VRGUUJDYCBGLQL-UHFFFAOYSA-N 323.175 4.344 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6030254 IBMZAHKIAAJREF-MZQZJKNOSA-N 318.501 4.307 0 40 DIAB in-vitro Cc1c(Cl)cccc1N[C@@H](C(=O)NC1CC1)c1ccccc1 7545506 VHBDNYGZIOVUMP-QGZVFWFLSA-N 314.816 4.080 0 40 DIAB Cc1ccc(NC(=S)N(C)Cc2ccc(Cl)cc2)cc1 7584225 JFRVYMZUFXHXCR-UHFFFAOYSA-N 304.846 4.477 0 40 DIAB CC(C)Cn1c(SCc2ccccc2)nc2ccccc2c1=O 8230250 TWOQWFVFBSEAMN-UHFFFAOYSA-N 324.449 4.345 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 8382861 OBIPQUOPKDGYHX-LLVKDONJSA-N 321.829 4.468 0 40 DIAB Cc1ccc(C)c(OCCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 8428209 POXGREVIZWCWOS-HNNXBMFYSA-N 315.388 4.089 0 40 DIAB S=C(Cc1ccc(Br)cc1)NCc1ccccc1 9188094 TWIJELFGGDXSPK-UHFFFAOYSA-N 320.255 4.109 0 40 DIAB C[C@@H](Sc1ncccn1)c1nnc(-c2cccc(Cl)c2)o1 9460268 PHIBDFBECBOAJT-SECBINFHSA-N 318.789 4.033 0 40 DIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccco2)n1 9501319 SSVGSFKYKXAGMA-UHFFFAOYSA-N 323.377 4.445 0 40 DIAB CC(=O)Nc1ccccc1OCc1ccc(C(F)(F)F)cc1 9641062 OWRHYAMQGBFYBE-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1F 12756235 PFAXWOMZKBKUAM-UHFFFAOYSA-N 304.390 4.112 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 13689000 OXKHWKYGTNDTPY-JKSUJKDBSA-N 319.404 4.485 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1 13710364 ZOIUZMCMCXXCDY-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1cccc(C(F)(F)F)c1 14790072 XXJGQTGKGSAVLJ-MDZDMXLPSA-N 305.299 4.035 0 40 DIAB Nc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 22119814 CCUYIDSWGQOARG-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Cc1cc(C)c2c(C)c(C(=O)N(C)c3ccccc3)sc2n1 25949693 LOYNINREBREELH-UHFFFAOYSA-N 310.422 4.498 0 40 DIAB CN(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 30117440 PGMLHSXUOGHKID-UHFFFAOYSA-N 317.392 4.067 0 40 DIAB O=C(Nc1c(Cl)cccc1C(F)(F)F)OCC(F)(F)F 32628866 DSSQJNSJTODGJN-UHFFFAOYSA-N 321.604 4.470 0 40 DIAB CCc1ccc(CNC(=O)c2cccc(CSC)c2)s1 32930300 GZZXVQFIBYWWTQ-UHFFFAOYSA-N 305.468 4.104 0 40 DIAB COC(=O)c1ccc2c(c1)C1c3ccccc3C2c2ccccc21 34132083 DIVCUSLTYRTSJE-UHFFFAOYSA-N 312.368 4.460 0 40 DIAB CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38833638 XDOJTDOJYPRKJL-LJQANCHMSA-N 322.452 4.100 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)[C@@H]2CCc3ccccc32)o1 40049957 BQBXYKODNSRTEO-NIKGAXFTSA-N 323.436 4.482 0 40 DIAB O=C(Nc1ccc(Cl)cn1)C1(c2cccc(Cl)c2)CC1 44603609 ZGFDLOVZUJWONL-UHFFFAOYSA-N 307.180 4.059 0 40 DIAB COc1ccc(Br)cc1NC(=O)c1ccc(C)cc1 48444607 WBFAFICGHYFFPO-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CN(Cc1cscn1)C(=O)Nc1cc(Cl)ccc1Cl 49029862 LVXRCIRPPXHKPZ-UHFFFAOYSA-N 316.213 4.114 0 40 DIAB CCCCCOc1ccc(/C=C/C(=O)OC(C)C)cc1OC 62714448 MEAIJNODPSSYHW-PKNBQFBNSA-N 306.402 4.229 0 40 DIAB CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 72297294 HMLODMPVOIWFJU-CABCVRRESA-N 318.486 4.329 0 40 DIAB O=C(NCC1CCCCC1)c1cn[nH]c1-c1cccc(Cl)c1 72328880 WKTBAHVGIADFLS-UHFFFAOYSA-N 317.820 4.040 0 40 DIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc(Cl)o1 75584132 HYSFGDFNUPDSTF-CYBMUJFWSA-N 307.825 4.052 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 78457589 CBXZNDFOKZOCGY-GFCCVEGCSA-N 317.816 4.402 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc3ccccc3c(N3CCOCC3)c12 100020343 RRCATOLXLWQNMY-QVKFZJNVSA-N 322.452 4.246 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 113960092 RHCQBVQFFCGXIC-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)cc1 113970101 JQBMINJPUYICGS-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC 222864409 MZIRCMCUISXESI-QGZVFWFLSA-N 303.446 4.028 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225633514 DMGVFFUMIXHRDH-VCBZYWHSSA-N 319.445 4.398 0 40 DIAB CCOC(=O)c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 226235822 DZXZYKYPXGKSOB-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccnc1)N2 247359587 DQNTZNICYJAPSG-LBRNMREWSA-N 320.392 4.076 0 40 DIAB Cc1noc(C2CC2)c1NC(=O)N1CC2(CCC2)c2ccccc21 559837883 WVMVQTPHYDLPGJ-UHFFFAOYSA-N 323.396 4.334 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1cc2ccccc2oc1=O 105725 ZHDAGCAEHGIUOI-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(Nc1ccccc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 334899 MMOSXTJWJAFEOQ-ARJVPZMDSA-N 324.251 4.481 0 40 DIAB CCCCCCNC(=O)/C=C/c1ccc(OCC)c(OCC)c1 1780467 FQYNFHKGQLNJBS-ACCUITESSA-N 319.445 4.194 0 40 DIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1F 3415146 GGACFOBYLJHLLW-CMDGGOBGSA-N 309.262 4.496 0 40 DIAB CC(C)Oc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 3480003 BKLTWFBRQALZND-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB COc1ccc(-c2noc(-c3cc(Cl)cnc3Cl)n2)cc1 4280827 XKLCPHSVDOPZCM-UHFFFAOYSA-N 322.151 4.114 0 40 DIAB CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(F)cc1)=NO2 4871586 MTIUZVHFMVQNMK-IBGZPJMESA-N 310.372 4.074 0 40 DIAB CCOc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 5199924 GDQKIMPRWAGLBU-BUHFOSPRSA-N 318.376 4.285 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)c(C)c1 5538812 JRZPGEXPYWKUAD-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 7261674 GCVABBIWTXGDQK-UHFFFAOYSA-N 313.441 4.472 0 40 DIAB O=C(Nc1ccc(Cl)c2ncsc12)c1cccc(F)c1 7598773 DUOKWHAKOKBERX-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB COc1cc(Cl)c(NC(=O)c2cc(C)cc(C)c2)cc1OC 11013846 KDAUKNLBJYRRDK-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CC(C)C(NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(C)C 13708317 QRZJBBITZWHPNK-OAHLLOKOSA-N 313.441 4.404 0 40 DIAB COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl 14093086 ZJPINVYFBOCUNA-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 15092291 KLJXMLPZUYKNIX-CQSZACIVSA-N 311.400 4.124 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736466 MNTONOVPUHYTGJ-UHFFFAOYSA-N 302.805 4.472 0 40 DIAB CC[C@@H](C)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19900130 KWDAXLMBWKAZOQ-QHGAOEGBSA-N 300.490 4.129 0 40 DIAB C[C@H](NC(=O)c1ccccc1F)c1ccc(-n2cccc2)cc1 28303899 WDAVNXOKBZOMIE-AWEZNQCLSA-N 308.356 4.107 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NCc2cccc3cccnc23)c1 28925015 ZMBGAKBVHKCAHL-CQSZACIVSA-N 319.408 4.044 0 40 DIAB O=C(Cc1ccsc1)Nc1cccc(OC2CCCC2)c1 31205959 JZDATMBROSWOMP-UHFFFAOYSA-N 301.411 4.251 0 40 DIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)OCC(F)(F)F 32628788 OBNMNBJRTVGYPL-UHFFFAOYSA-N 321.604 4.470 0 40 DIAB c1ccc2c(c1)CCN(Cc1csc(-c3ccsc3)n1)C2 32753192 PSHZGUWEIBTQCY-UHFFFAOYSA-N 312.463 4.430 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@@H](C)C[C@@H]2[C@@H]1c1ccco1 36049202 XCUSOXGYBWDEPN-DTKBJZJUSA-N 324.380 4.262 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 40104658 AJMQMACLDLLXAI-QWRGUYRKSA-N 316.323 4.095 0 40 DIAB COc1ccc([C@@H](O)c2ccc(Cl)cc2Cl)c(OC)c1 40247958 QDPSYMKBULTAMI-HNNXBMFYSA-N 313.180 4.092 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 41306802 PIHRWXOETVVVMB-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB CSc1ccccc1NC(=O)[C@H](c1ccccc1)n1cccc1 56907453 IUZDPXZLCWXVHL-SFHVURJKSA-N 322.433 4.438 0 40 DIAB CCCN(C)c1ccc(C(=O)Nc2ccccc2OCC)cc1 58156736 PKTZUIBTLFXXNS-UHFFFAOYSA-N 312.413 4.184 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2ccc(F)c(C)c2)c1 71760592 DLJNIEJZYQTTNY-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1nc(N(C)c2ccccc2)ccc1[C@H](N)c1ccccc1 72224393 CJXNSLOSZUMRQG-HXUWFJFHSA-N 303.409 4.206 0 40 DIAB Cc1cc(C)cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 102202092 LKFXKGQFFCPCDQ-QFBILLFUSA-N 324.449 4.238 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)[C@@H]1C[C@@H]2CC[C@@H]1C2 102378155 PYPUEKBHSVPLLO-UZWSLXQKSA-N 310.800 4.425 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 113959591 CNSBWVBHYATLFJ-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB Cc1ccc(C(=O)n2c(C)c(CO)c3ccccc32)c(Cl)c1 216955490 HTLPRTIVUGTRKN-UHFFFAOYSA-N 313.784 4.092 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCC1CCCCC1 224423777 LSPNOOGWZHQQBL-OAHLLOKOSA-N 303.446 4.274 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccccc1C 225756354 VCHUFTIHZBYSGE-QGZVFWFLSA-N 314.454 4.441 0 40 DIAB C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257280885 OMURAVGPIUXVNL-OAHLLOKOSA-N 309.409 4.284 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1 267388 NHHMFXVKQNSUFY-UHFFFAOYSA-N 322.364 4.342 0 40 DIAB Cc1cc(C)cc(OC(=O)c2cc(F)c(Cl)nc2Cl)c1 384941 JYYWPDDLKJAJHY-UHFFFAOYSA-N 314.143 4.364 0 40 DIAB CC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCC1 412362 ABBPPGRSLHWDBL-UHFFFAOYSA-N 316.832 4.488 0 40 DIAB c1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1 810628 FNNACNWDEVQPDH-UHFFFAOYSA-N 304.378 4.497 0 40 DIAB Cc1ccc(-c2nc3ncccc3n2OCc2ccccc2)cc1 1400181 BHUNDSIDLZMSSH-UHFFFAOYSA-N 315.376 4.036 0 40 DIAB Cc1nc(N2CCCCCC2)c2c3c(sc2n1)CCCC3 3164129 NSYSDMZRORSIAE-UHFFFAOYSA-N 301.459 4.259 0 40 DIAB O=C(CCSc1ccc(F)cc1)NCc1ccc(Cl)cc1 3479998 GXVSIBYZNYCKMH-UHFFFAOYSA-N 323.820 4.278 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881346 WRWBCPJQPDHXTJ-MKOCOSAPSA-N 304.474 4.061 0 40 DIAB biogenic Cc1cc(C)c(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c(C)c1 4024717 XKNGNLUBHDCEQV-ZWKOTPCHSA-N 315.457 4.033 0 40 DIAB biogenic O=C(/N=c1\oc(-c2ccc(F)cc2)cs1)c1ccc(F)cc1 5579822 QYJUOBQSWVFFLG-KNTRCKAVSA-N 317.316 4.027 0 40 DIAB Clc1ccc(NCCSc2nc3ccccc3[nH]2)cc1 5729146 XZQCNIRCCHUVIX-UHFFFAOYSA-N 303.818 4.421 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)NCCC2=CCCCC2)ccc1Cl 5779215 CXMKXTQWKZXWRD-AWEZNQCLSA-N 321.848 4.422 0 40 DIAB O=S(=O)(Nc1cccc2ccccc12)c1ccccc1Cl 6315932 WRBYFKSALAFGLM-UHFFFAOYSA-N 317.797 4.294 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CC1 6638353 LNLORDRRHCBECH-UHFFFAOYSA-N 305.299 4.376 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 7935340 NGYQOXPWRVKNJJ-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB COc1ccc(CN(C(=O)c2cc3ccccc3o2)C2CC2)cc1 8164277 IIDIVVQSTOOPCV-UHFFFAOYSA-N 321.376 4.246 0 40 DIAB CCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8227245 VACVPJFNGNYHCV-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB CCc1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1 10325814 OIXNBBNPQQLMBE-KRWDZBQOSA-N 309.453 4.319 0 40 DIAB O=C(NCCCn1ccc2ccccc21)c1cccc(Cl)c1 12556010 IZKTVZOPQTZESH-UHFFFAOYSA-N 312.800 4.115 0 40 DIAB CC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 13577417 TZIDQULZXZHRON-UHFFFAOYSA-N 318.829 4.029 0 40 DIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCC2)cs1 14246366 ONJNZLIXIGXASA-UHFFFAOYSA-N 312.438 4.198 0 40 DIAB C[C@H]1CN(Cc2csc(-c3ccccc3Cl)n2)C[C@@H](C)O1 17056370 DSKBWPUVUPZXOI-TXEJJXNPSA-N 322.861 4.073 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)N3N=NNC3=N2)cc1 17138763 VNSVPSHAUDAPDR-INIZCTEOSA-N 323.787 4.288 0 40 DIAB C[C@H](O)C/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 18020779 BVYUNABCYSKLSX-WREBDXAUSA-N 313.784 4.035 0 40 DIAB Cc1cc2occ(CC(=O)Nc3cccc4cn[nH]c34)c2cc1C 24759380 HMNPPYGPOGREED-UHFFFAOYSA-N 319.364 4.107 0 40 DIAB CCCC[C@@H](CC)c1nnc(NC(=O)c2ccoc2C)s1 27924868 GFCJQBLHSFEGFG-LLVKDONJSA-N 307.419 4.376 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C)c1 30860534 GGDKONUBXUUZGW-GOSISDBHSA-N 311.425 4.086 0 40 DIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1F 32100803 VUEDOYRVZCXVCR-UHFFFAOYSA-N 302.736 4.073 0 40 DIAB C[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1cccnc1 48067688 UGYRGIGVCXTIOS-CABCVRRESA-N 323.440 4.082 0 40 DIAB Nc1nc(Cl)cc(Oc2ccc(Cl)c3ccccc23)n1 48424914 CTNFEPIINHMEFE-UHFFFAOYSA-N 306.152 4.311 0 40 DIAB Cc1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412452 PCAHUBDTXMHPRG-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB O=C(CCc1ccco1)N1CCC(c2cc3ccccc3[nH]2)CC1 65607896 RVVOPXGGVYGKKN-UHFFFAOYSA-N 322.408 4.100 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)c1cnc(C(C)C)nc1C 75436968 FXGXQYJIKQBGMX-UHFFFAOYSA-N 303.793 4.123 0 40 DIAB O[C@@H](CN[C@H](c1ccccc1)C1CCCCC1)c1ccncc1 95462854 IBEIWNMJNNKDNT-VQTJNVASSA-N 310.441 4.026 0 40 DIAB O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1F 98086499 OOERYRPZVSDGJC-GDNBJRDFSA-N 313.353 4.062 0 40 DIAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 101154710 PMCPFDDYQLLDOP-UYAOXDASSA-N 322.408 4.221 0 40 DIAB Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 242723232 YHGHRIAZABSSGB-BWTSREIZSA-N 324.472 4.078 0 40 DIAB in-vitro O=C(c1sccc1Br)C(Cl)(Cl)Cl 306981760 QQDYGOSDMVCHPL-UHFFFAOYSA-N 308.411 4.064 0 40 DIAB CCCN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 409311475 GGVGNPPQJMPTKQ-YRNVUSSQSA-N 316.209 4.440 0 40 DIAB COc1ccc(CN[C@@H]2C[C@@H](C(C)C)O[C@@H](C(C)C)C2)cc1 524734240 MGRPDMITEUROCW-GGPHIMKMSA-N 305.462 4.013 0 40 DIAB c1ccc2c(CN3CCC[C@H](c4nccs4)C3)ccnc2c1 1848355552 YMJWAXVNLUIBAR-HNNXBMFYSA-N 309.438 4.071 0 40 DIAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 217142 RWXOSSPUSSXDCV-CQSZACIVSA-N 304.393 4.430 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)c1cccnc1Cl 236281 GUXUNEQEJGITDA-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB CCc1nc2ccccc2c(C(=O)NCc2ccccc2)c1C 411353 UKUJVSJRLNQXDR-UHFFFAOYSA-N 304.393 4.036 0 40 DIAB Cc1ccccc1-c1nn2c(-c3ccccc3C)nnc2s1 529876 RGCJGUAVFCWJRN-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB CCCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 1810883 AASZRCLYEMNZAZ-MDWZMJQESA-N 311.381 4.136 0 40 DIAB CCCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1 2706813 NVNGIUFMTGPAKF-UHFFFAOYSA-N 311.381 4.130 0 40 DIAB O=C(O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 3194992 UILPNUDHADCSRK-UHFFFAOYSA-N 317.344 4.304 0 40 DIAB CCOCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 4942945 KHRYQXMPLXKWEN-UHFFFAOYSA-N 323.820 4.125 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2cccs2)c(OC)c1 5019661 JECMAQHRGPXLNK-CYBMUJFWSA-N 305.443 4.224 0 40 DIAB CC(=O)CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)O1 5377998 CZFWCNPLZZLWED-SJORKVTESA-N 311.406 4.177 0 40 DIAB COc1cc(N[C@@H](C)CCCNC(C)C)c2nccc(C)c2c1 5931487 KLAQASCBCFSTSS-HNNXBMFYSA-N 315.461 4.130 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1ccc2ccccc2c1 6543180 MWGIGDCFNGATCI-SFHVURJKSA-N 303.361 4.093 0 40 DIAB CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 6618712 QJHQUJXDTBJOOU-UHFFFAOYSA-N 316.813 4.151 0 40 DIAB CCc1ccc(CN(C)C(=O)c2cc(C)nc3ccccc23)cc1 7062074 ZHYLPRXKOGEJMV-UHFFFAOYSA-N 318.420 4.378 0 40 DIAB COc1ccc(C)cc1NC(=O)CNc1cc(Cl)ccc1C 7975560 TVPYSTHWAJJYPH-UHFFFAOYSA-N 318.804 4.016 0 40 DIAB CCCc1c(-c2ccccc2)nc2nc3ccccc3n2c1O 9356397 PGOUEFKNTOJUKM-UHFFFAOYSA-N 303.365 4.208 0 40 DIAB CC(C)Oc1ccc(NC(=O)[C@@H](C(C)C)n2cccc2)cc1 12138169 IIXRVDGLUXXBQS-QGZVFWFLSA-N 300.402 4.111 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1Cl 15009624 XAPPZTLCRWJKEF-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CCCCN(C)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 16476498 JEHJREMUJUWUKU-LJQANCHMSA-N 310.441 4.407 0 40 DIAB O=C(CCc1ccccc1)Nc1ccccc1OC(F)(F)F 16724358 LCBPWGACFJFCHE-UHFFFAOYSA-N 309.287 4.157 0 40 DIAB Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16776706 NUEAWAXMOGOKPQ-UHFFFAOYSA-N 303.390 4.376 0 40 DIAB CCCCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 19736313 RDMQVRDNHUPAKI-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB CCCc1nnc(SCc2cccc(Br)c2)o1 20033897 QAABDLUKMWMYMA-UHFFFAOYSA-N 313.220 4.077 0 40 DIAB O=C(COc1cccc2[nH]ccc12)Nc1cccc2ccccc12 20735697 PRAXVVSRJOGJTM-UHFFFAOYSA-N 316.360 4.339 0 40 DIAB Cc1cc(F)ccc1S(=O)(=O)Oc1ccccc1C(C)C 22842352 KPIANWSKIZXIFJ-UHFFFAOYSA-N 308.374 4.025 0 40 DIAB Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C)cc1 24750836 PZZQNWUVCOXCCQ-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB COc1cccc(CN[C@@H](C)c2cc3cccc(OC)c3o2)c1 28925802 JUEGCSBCAIVKHB-ZDUSSCGKSA-N 311.381 4.301 0 40 DIAB CCc1nnc(NC(=O)Nc2cccc(Cl)c2Cl)s1 32611067 SOOGHCNCBJCNFX-UHFFFAOYSA-N 317.201 4.051 0 40 DIAB COc1ccc(-c2noc(-c3ccc(OC)c(Cl)c3)n2)cc1 35671894 UNSUSHJQEBMQQD-UHFFFAOYSA-N 316.744 4.074 0 40 DIAB Cc1nc(CNc2c(C)cc(Br)cc2C)cs1 37772409 PAYHBQSSNZFURE-UHFFFAOYSA-N 311.248 4.443 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c(C)c1 38833325 WGMALTLQSNSRMZ-LJQANCHMSA-N 322.452 4.154 0 40 DIAB COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1OC 40007509 AMYBBCNNBSWYLN-ZDUSSCGKSA-N 303.377 4.036 0 40 DIAB Cc1ccc(CN[C@H](c2cccc(F)c2)c2nccn2C)cc1C 42204124 HDVXMIQXMRSEFY-LJQANCHMSA-N 323.415 4.055 0 40 DIAB CC(C)Oc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 44194982 WVPHIGSNJLATHO-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CC(C)c1ccc2oc(-c3ccc(Cn4cnnc4)cc3)nc2c1 45920843 ZMLWKBVHKMZBFL-UHFFFAOYSA-N 318.380 4.258 0 40 DIAB Cc1ccc2cc3c(nc2c1)O[C@H](C)CN(Cc1ccccc1)C3 57712474 YXWGLFPPMNLQRO-MRXNPFEDSA-N 318.420 4.326 0 40 DIAB O=C(Nc1ccccc1OCc1cscn1)c1cccs1 69350609 MEOLEMYVECOORP-UHFFFAOYSA-N 316.407 4.036 0 40 DIAB CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1 94993301 HVYGGZDTZMAXSM-UHFFFAOYSA-N 316.376 4.331 0 40 DIAB CCOc1ccc(C(=O)CC2(CC(=O)O)CCCCC2)cc1 95634272 PGMGUMLVGKKBDT-UHFFFAOYSA-N 304.386 4.083 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 96030477 GUBNWXDDDXQJOQ-MUIRKLTRSA-N 306.490 4.141 0 40 DIAB CCc1nc([C@@H](C)Nc2cnn(CC)c2)oc1-c1ccccc1 97377327 KTTRTSSIQAICPD-CYBMUJFWSA-N 310.401 4.294 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102026789 GCAODHPIRMXSSB-PPJKGSGRSA-N 321.492 4.150 0 40 DIAB O=c1oc2cc(Br)ccc2cc1-c1ccccc1 146469363 MVIYDJYXJRSOSF-UHFFFAOYSA-N 301.139 4.223 0 40 DIAB Cc1ccc([C@H](C)NCc2nnc(-c3cccc(Cl)c3)o2)o1 182578358 JDUJHFHQBRSKLS-NSHDSACASA-N 317.776 4.142 0 40 DIAB CC(C)N(C)Cc1cccc(CN[C@H](C)c2cccc(O)c2)c1 194871542 CAKURFBZERXJNR-MRXNPFEDSA-N 312.457 4.083 0 40 DIAB NC(=O)c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 216948407 UUMYNTDBYSZPSQ-UHFFFAOYSA-N 319.191 4.095 0 40 DIAB COc1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 224127687 ZAGFNSYDLXGSHL-MRXNPFEDSA-N 323.436 4.384 0 40 DIAB Cc1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1C 225574267 AFWYBTPZWIPWLB-HXUWFJFHSA-N 307.437 4.430 0 40 DIAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225608322 HNYLUXYMGZBMFY-IBGZPJMESA-N 321.461 4.420 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225610346 ZYLPNKFOYAFIRD-SFHVURJKSA-N 305.418 4.152 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225631915 JBRFOFVRWRFQQF-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB Cc1ccc(C)c(NC(=S)N[C@@H](C)COc2ccccc2)c1 225781272 MNSBMCAREUTUIT-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB Cc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 390828429 AZJRSJUSBDWAEH-UHFFFAOYSA-N 311.406 4.289 0 40 DIAB Cc1cccc(COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)c1 409176324 KPSVZYKWSBRUIC-UHFFFAOYSA-N 320.344 4.425 0 40 DIAB CC(C)(C)Oc1ccc(C(=O)C(F)(F)Br)cc1 575357481 FQFAHGOHAQIBDM-UHFFFAOYSA-N 307.134 4.034 0 40 DIAB CSc1ncccc1C(=O)NC1(c2cccs2)CCCC1 824958871 FZYOBSGCFUFJJH-UHFFFAOYSA-N 318.467 4.064 0 40 DIAB CO[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1ccc(F)cc1 1615084261 JIUNKDWMSXTLJH-VQIMIIECSA-N 305.437 4.038 0 40 DIAB Cc1ccccc1C(=O)N(C)c1nc(-c2ccccc2)cs1 882009 LMSVFDJJJYMJHO-UHFFFAOYSA-N 308.406 4.395 0 40 DIAB Cc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1 1387461 WYUXWTLPWIMMLN-VAWYXSNFSA-N 304.393 4.187 0 40 DIAB COc1ccc(NC(=O)CSc2ccccc2Cl)cc1 1400516 ZGROPHDWHNSQRJ-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB Cc1cccc(NC(=O)Cc2nc(-c3ccccc3)cs2)c1 1415155 IANNVZXCJGXHSE-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCC1 2652543 SJEWFQUOZVMLPB-UHFFFAOYSA-N 314.366 4.402 0 40 DIAB CN(C)[P@](=O)(Nc1ccccc1)C(Cl)(Cl)Cl 3202959 UJRQBMJWENMAGW-MRXNPFEDSA-N 301.541 4.181 0 40 DIAB O=C(/C=C/c1ccccc1)N1CCS[C@H]1c1ccc(F)cc1 4489654 DEOIYWFMEDYBSX-QKIXSCASSA-N 313.397 4.113 0 40 DIAB COc1cccc(OC)c1Nc1ccc(-c2ccccc2C)nn1 4859033 XEKFQUZPXCMBHQ-UHFFFAOYSA-N 321.380 4.213 0 40 DIAB O=C(O)Cc1sc(Nc2ccccc2)nc1-c1cccs1 5338454 KTDDUAAIHGVXDW-UHFFFAOYSA-N 316.407 4.242 0 40 DIAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1nccs1 5574415 BRYVHSXCDSBKMD-UHFFFAOYSA-N 324.361 4.060 0 40 DIAB O=C(/C=C/c1nc2ccccc2s1)N1CCCc2ccccc21 6553168 XHQVQOQYNAOCMW-VAWYXSNFSA-N 320.417 4.289 0 40 DIAB Cc1ccc(-c2ccsc2C(=O)OCc2cc(C)on2)cc1 6850509 APPIOYVKSCWSTJ-UHFFFAOYSA-N 313.378 4.377 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)cc1 8162952 FJDDVOFNPGGTHA-JKGDOXCYSA-N 309.409 4.284 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217300 QHDNNEOAUFFGGH-UHFFFAOYSA-N 312.394 4.336 0 40 DIAB Clc1c(CSc2nnnn2C2CC2)sc2ccccc12 14014337 WUCMKNZIIHARLP-UHFFFAOYSA-N 322.846 4.168 0 40 DIAB C[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1 14249749 QYXIWNOJTRDVJN-JTQLQIEISA-N 319.813 4.055 0 40 DIAB Cc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17207362 SIGAUDSYRBVCJU-UHFFFAOYSA-N 323.847 4.399 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C)c(C)c2)c1 18013880 MTMPUBIXNAZXNO-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)cc1Cl 20108439 ZICOVGWGHLOTLZ-UHFFFAOYSA-N 324.207 4.274 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1C 20462674 DLDQXKLUPSPYEV-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB CC(C)c1ccc(-c2nnc(NC(=O)Cc3ccccc3)o2)cc1 20495983 HZHHMTAWABJFMR-UHFFFAOYSA-N 321.380 4.041 0 40 DIAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1ccccc1Cl 27917667 GRZOGXGUMUWJGJ-UHFFFAOYSA-N 312.760 4.170 0 40 DIAB COc1cc(CN[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc(OC)c1 48260484 VBJLJOVEFPWEFT-BJZITVGISA-N 303.446 4.008 0 40 DIAB C[C@H](NC(=O)NCCSCc1cccs1)c1ccccc1 48311344 HHUKDSYELSHLOF-ZDUSSCGKSA-N 320.483 4.042 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccc(O)cc2)c1 69270203 ZBDVRXFJERRVOW-CYBMUJFWSA-N 301.411 4.128 0 40 DIAB CC(C)c1nnc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 69811481 ZWGWCOCREUCWLT-QGZVFWFLSA-N 324.428 4.402 0 40 DIAB CN(C(=O)[C@H]1CC=CCC1)[C@@H](c1cccc(F)c1)c1ccccn1 69921235 NEIKONAKJJSKLD-KXBFYZLASA-N 324.399 4.125 0 40 DIAB Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)Cc1ccccc1 72222367 CIKVFEOMBBNIHE-FQEVSTJZSA-N 317.436 4.075 0 40 DIAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1nc(C2CC2)cs1 72289031 ZUDTZIKURFCQSV-OSMZGAPFSA-N 305.447 4.205 0 40 DIAB CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 76056342 UCZCMIPOXXIESO-FTRWYGJKSA-N 324.468 4.137 0 40 DIAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1C[C@H]1c1cccnc1 84374545 CFJGYDBQWLLJKQ-OALUTQOASA-N 322.408 4.145 0 40 DIAB Fc1ccc2c(c1)[C@H](SCc1nnc(C3CCC3)o1)CC2 95412927 YQVAPIUSZDQHLU-CQSZACIVSA-N 304.390 4.397 0 40 DIAB CCC(=O)Nc1ccc([C@H](C)N[C@H](C)c2cnc(C)s2)cc1 96485581 WDCGXGQBNOFSSI-NWDGAFQWSA-N 317.458 4.212 0 40 DIAB CCC1(CC)Oc2ccc(NC(=O)c3ccoc3C)cc2O1 97105198 NJOFKNJROIEKOI-UHFFFAOYSA-N 301.342 4.128 0 40 DIAB c1cnc2c(CN3CCC[C@@H](c4nccs4)C3)cccc2c1 157000322 SAGPSNUOYPCZQL-MRXNPFEDSA-N 309.438 4.071 0 40 DIAB COc1ccc([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1 220016912 GBVMJYNMYOQKDM-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCC2 223231428 AXGRYLPXPSOZBT-CYBMUJFWSA-N 305.377 4.413 0 40 DIAB CC(C)c1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1 224596994 QUDSGHVXOQMLKU-UHFFFAOYSA-N 313.416 4.241 0 40 DIAB Nc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 225324065 XQOLLBWDVIRVKF-UHFFFAOYSA-N 316.404 4.111 0 40 DIAB O=C(Cc1ccccc1Cl)NCCSC1CCCCC1 225435675 ZVGJIDSIJPVPTQ-UHFFFAOYSA-N 311.878 4.065 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225651776 ORWZTUPZKVCBEZ-KBXCAEBGSA-N 307.434 4.316 0 40 DIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OC)c(C)c1 225908440 SNUMMDTVGOOGBD-GOSISDBHSA-N 322.449 4.103 0 40 DIAB FC(F)(F)c1ncnc(Cl)c1Cc1ccc(Cl)cc1 257197614 FBYAEDXQIDLBJY-UHFFFAOYSA-N 307.102 4.393 0 40 DIAB Cc1ccccc1CSc1nc(O)c2c(C)csc2n1 408597867 UYTCUWDGUNAHJS-UHFFFAOYSA-N 302.424 4.306 0 40 DIAB OCc1cc(-c2ccccc2)nc2ccc(Br)cc12 685936876 DMLSYAISUQSFQH-UHFFFAOYSA-N 314.182 4.157 0 40 DIAB Cc1cccc2sc(N3CCCC[C@H]3c3cnn(C)c3)nc12 1775974471 HBIAICLHYQJHTR-AWEZNQCLSA-N 312.442 4.070 0 40 DIAB COc1cc2c(cc1OC)C(c1ccc(C(C)(C)C)cc1)=NCC2 384228 ALFGHWCZTLIFBI-UHFFFAOYSA-N 323.436 4.395 0 40 DIAB Clc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 525857 KHLDKZKIAWXOHO-CVEARBPZSA-N 310.788 4.078 0 40 DIAB CCc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 579661 JWERISHHGPDGRL-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB O=C(c1cc2ccccc2o1)N1CCc2c([nH]c3ccccc23)C1 997039 OEMMAGDSKMFBQE-UHFFFAOYSA-N 316.360 4.113 0 40 DIAB CC(C)[C@H](CCNC(=O)c1cccs1)[C@H]1CCOC(C)(C)C1 2098617 MFCOUHMZEYYAKV-GJZGRUSLSA-N 323.502 4.345 0 40 DIAB biogenic Cc1cccc(OCCNc2ccc(C(F)(F)F)cc2N)c1 4089435 WFWCZBWSULXLMD-UHFFFAOYSA-N 310.319 4.087 0 40 DIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 4166438 KDPQTPZDVJHMET-XFKSJGNHSA-N 312.409 4.037 0 40 DIAB in-vitro O=C(Nc1ccc2ncccc2c1)c1cc2cc(F)ccc2[nH]1 5267797 KFMAKLSIKPQSLK-UHFFFAOYSA-N 305.312 4.108 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 6657113 MKFMVELVOLVHNR-SDNWHVSQSA-N 303.427 4.430 0 40 DIAB c1ccc2sc([C@H]3CCCCN3Cc3cscn3)nc2c1 8230163 XIWNUHQNTPHGGK-CQSZACIVSA-N 315.467 4.480 0 40 DIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCCC1 8429544 KLIZFECDFZOEBL-UHFFFAOYSA-N 301.386 4.247 0 40 DIAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccc(F)cc1 8436116 NBJVKOSFJFDNRQ-UHFFFAOYSA-N 324.399 4.488 0 40 DIAB Cc1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 9155553 OBEXUCXAMLNPKX-HQYIZWOGSA-N 322.499 4.113 0 40 DIAB Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)cc1 12785248 PPDSRPNSPYGARY-UHFFFAOYSA-N 308.406 4.395 0 40 DIAB COc1ccc(C)cc1NC(=O)CCOc1ccc(C)c(C)c1 12929361 GUKZTRQXPQCFBI-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](c3cccc(C)c3)n3ncnc3N2)cc1 13131636 QGEWRBICYGEBOT-ROUUACIJSA-N 304.397 4.041 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 13302422 ILQLITDRYFHAGM-UXPWSPDFSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)c1ccccc1 13676532 NVRNHPUKKLWLPF-LBPRGKRZSA-N 305.830 4.484 0 40 DIAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1C 14292000 XOXIJDXCIAXRHU-UHFFFAOYSA-N 324.207 4.240 0 40 DIAB CC(C)Oc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 14796286 OVKNLOVYCDXYFN-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)o1 15768879 JHMITTAHHZOWCY-JTQLQIEISA-N 311.303 4.406 0 40 DIAB CN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2Cl)o1 17790812 MIECOFDYEZVYBC-UHFFFAOYSA-N 315.756 4.465 0 40 DIAB C[C@H]1CCCN(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 20105321 JFWMKZIXNBXTTO-KRWDZBQOSA-N 322.452 4.195 0 40 DIAB CC(C)c1cc(NC(=O)CN(C)c2ccc3ccccc3c2)on1 22007561 QYTJEFYJOJPKDW-UHFFFAOYSA-N 323.396 4.026 0 40 DIAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)NC1CCCC1 23264022 VTCHWYYOFGWRRY-VIFPVBQESA-N 301.814 4.019 0 40 DIAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)C1CC1 24658852 KIEHSPLMAUMHQG-GOSISDBHSA-N 311.450 4.243 0 40 DIAB CCCCc1nc2ccccc2n1C[C@H](O)c1ccccc1F 28909248 REPMQUXKBMEPGK-SFHVURJKSA-N 312.388 4.252 0 40 DIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 32854791 FJVVIFVMDGVOES-UHFFFAOYSA-N 309.365 4.371 0 40 DIAB CCCNC(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1 32883829 WAFCDFOUZHPJHT-JTQLQIEISA-N 324.833 4.002 0 40 DIAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1ccc(Cl)s1 33192619 RHVLRGKCMNFOFW-QMMMGPOBSA-N 312.822 4.312 0 40 DIAB Cc1ccc(-c2nc3ccc(Br)cn3c2C)cc1 36259671 QUVNRUQXBLDYLP-UHFFFAOYSA-N 301.187 4.381 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 38606257 YWYQTGBBEZQBGO-HZCKZVNYSA-N 320.517 4.387 0 40 DIAB in-vitro CC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 44597636 LOWJJENGMKMHNY-UHFFFAOYSA-N 300.229 4.185 0 40 DIAB CCc1nnc(CSc2nc(-c3ccccc3)cs2)o1 48397651 OFUVTGXONPUBGB-UHFFFAOYSA-N 303.412 4.048 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc2ncccc2c1 71283922 BCSMGAZIXDRDHV-AWEZNQCLSA-N 306.369 4.136 0 40 DIAB Cc1nc(N(C)c2ccccc2)ccc1C(=O)c1ccccc1 72224382 ABRQJAFIVZPFHF-UHFFFAOYSA-N 302.377 4.389 0 40 DIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78876895 FFVPECXZABNKMA-QWHCGFSZSA-N 324.302 4.052 0 40 DIAB CN(Cc1ccc(C(F)(F)F)cc1)c1nccc2occc12 89355785 RODWBGRFBWWVBF-UHFFFAOYSA-N 306.287 4.483 0 40 DIAB CC[C@H](NCc1ccc(NC(=O)OC)cc1)c1cccs1 95420440 AMBFDOUHLPYPMU-AWEZNQCLSA-N 304.415 4.167 0 40 DIAB Cc1c(Cl)cccc1[C@@H](O)c1cccc(Br)c1 95730265 FOFBSCXUDWCJRU-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB Cc1c(-c2nnc3sc(-c4ccco4)nn23)oc2ccccc12 96194396 LDHRVNGHJVQMCN-UHFFFAOYSA-N 322.349 4.167 0 40 DIAB C[S@@](=O)c1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1 195553934 DEOISGKJOUQSBW-WMZHIEFXSA-N 322.433 4.021 0 40 DIAB CCOC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C)cc2)n1 215872968 UIVOFGRBAQZQLY-UHFFFAOYSA-N 320.392 4.333 0 40 DIAB Cc1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 222629458 NVMIWMXMNDADTL-UHFFFAOYSA-N 302.805 4.403 0 40 DIAB O=C(CCc1ccc(F)cc1)NCc1ccc2ccccc2c1 222819333 GZVVTCIJMSUEBX-UHFFFAOYSA-N 307.368 4.228 0 40 DIAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COC(C)C 224719578 NYFUPKCKQZTQBM-UHFFFAOYSA-N 319.445 4.027 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2)c(C)c1 225781247 AEXHZCYGQMJOSQ-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CC(C)n1c(Cl)nc2cc(C(=O)NC3CCCCC3)ccc21 225987451 BBTWBLMKCUUERM-UHFFFAOYSA-N 319.836 4.333 0 40 DIAB Cc1c(Br)cccc1-c1nc2cc(N)cc(C)c2o1 226248363 FHRWZMCCKQOPHF-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB COc1ccccc1N(C(=O)OC(C)(C)C)c1cc(C)ccn1 228967319 DMEJPJWWNQORMC-UHFFFAOYSA-N 314.385 4.472 0 40 DIAB O=C(c1ccc(F)cc1C(F)(F)F)C(Cl)(Cl)Cl 575360511 FLMKVPFQGDXHBD-UHFFFAOYSA-N 309.473 4.397 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 129810 DEPHNPPMZIRNBU-KGLIPLIRSA-N 317.816 4.293 0 40 DIAB FC(F)(F)c1nc2ccccc2n1CCOc1ccccc1 258503 NWIMGLWXRRDMGH-UHFFFAOYSA-N 306.287 4.134 0 40 DIAB Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1 1620495 JMGFBWJVTVFYKM-UHFFFAOYSA-N 308.333 4.083 0 40 DIAB CCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 2580393 PVSIQYWMCZSMFC-UHFFFAOYSA-N 306.402 4.172 0 40 DIAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1 2723874 YLAUXMILRJAHJC-UHFFFAOYSA-N 313.165 4.448 0 40 DIAB C[C@H](CNC(=O)Cc1cccc2ccccc12)c1ccccc1 3102850 CMPNBVXJURIQFO-MRXNPFEDSA-N 303.405 4.302 0 40 DIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc2ccccc2o1 3408071 PSONHICANHKNKT-UHFFFAOYSA-N 317.747 4.498 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 4666223 LEVHZPFFAUKYBO-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB Cc1cc(C)cc(C(=O)N(C)Cc2nc3ccccc3s2)c1 5406305 VRSMNDWTKDRWKV-UHFFFAOYSA-N 310.422 4.185 0 40 DIAB Cc1ccc(C)c(NC(=O)CSCc2cccc(F)c2)c1 7145881 ANZYYGOZGRPHRY-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB C[C@H](Sc1ccc(F)cc1F)C(=O)NC1CCCCCC1 7855415 LIKCQDVFOXSJFH-NSHDSACASA-N 313.413 4.284 0 40 DIAB Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 11052286 NAPDXRYOQFIVGN-AWEZNQCLSA-N 323.392 4.011 0 40 DIAB Cc1nn(C)c(C)c1NC(=O)c1ccc(C2CCCCC2)cc1 12821750 YITCAOHWBZBETP-UHFFFAOYSA-N 311.429 4.337 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710715 XPLSECNVLGDULX-CQSZACIVSA-N 315.438 4.431 0 40 DIAB C[C@@H]1CC(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1 15671188 GUJYNDMURIHLGE-LLVKDONJSA-N 318.779 4.216 0 40 DIAB CCc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 25765859 PBYWTXWKSIBCLJ-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)cc1 31470940 FKWUCENEXPMFID-MDWZMJQESA-N 306.409 4.247 0 40 DIAB COc1ccc(NC(=O)Nc2cccc(Cl)c2F)c(C)c1 51355901 CQWLHXBNWDRWLK-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB Cc1ccc2nc(Nc3nc4c(N)cc(C)cc4s3)oc2c1 57352552 JKPCHLBQOCUUBY-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB COc1ccc2oc(Nc3nc4c(C)cccc4s3)nc2c1 57352851 QQYLANNZBUGKTD-UHFFFAOYSA-N 311.366 4.498 0 40 DIAB Nc1c(Cl)cc(NC(=O)c2cc3ccccc3[nH]2)cc1Cl 58380321 TWXXVLVYJIFYEF-UHFFFAOYSA-N 320.179 4.309 0 40 DIAB CCOC(=O)c1ccc2nc(-c3cccc(F)c3)sc2c1 73740389 XEOVTXNUTJLFOY-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCCc2ccccc2)cc1 75331159 VSFHVUXZZJVMDQ-UHFFFAOYSA-N 309.438 4.219 0 40 DIAB CC(C)(C)SCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 84240938 SDHUDLBKZCYBOD-INIZCTEOSA-N 303.471 4.197 0 40 DIAB C[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1cnccn1 90114990 GBUDDTNOMROPIY-DJZPMSPPSA-N 301.821 4.178 0 40 DIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 91362138 IYUDWOAVKPWHRJ-VNQPRFMTSA-N 311.429 4.008 0 40 DIAB CC(=O)c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695645 OUDFUFBKDFPSEP-UHFFFAOYSA-N 308.303 4.036 0 40 DIAB Fc1cccc(CNCCCSC(F)(F)C(F)(F)F)c1 95918311 BNRARGPHYAPFJR-UHFFFAOYSA-N 317.298 4.194 0 40 DIAB Cc1cccc2c1[C@H](C)C[C@@H]2NCc1ccc(C2OCCO2)cc1 97032484 CKRLGTWWCJYREO-BEFAXECRSA-N 323.436 4.379 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 113968846 SYFMSDZMAFJXPA-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(Nc1c(F)cccc1F)c1cc(-c2ccc(F)cc2)on1 134723325 OBMSTEJODXOLES-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 219848367 QSTPEHMXOKPIAV-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1nncc3ccccc13)C2=O 221829089 XJNZKZAAIBPJHU-YEWWUXTCSA-N 312.438 4.116 0 40 DIAB COc1cccc(NC(=O)CCc2cccc3ccccc23)c1 222658282 QWSCAVMIZXTKCN-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB CC(C)[C@@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 225185832 NUGCDXFOXSAZCZ-SNVBAGLBSA-N 320.285 4.387 0 40 DIAB Cc1ccc(C(=O)NCc2cncc(-c3cccs3)c2)s1 225666756 NUWRVESLPHHOEE-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB CCCCC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226352195 XCLCODZQTMYCNY-UHFFFAOYSA-N 301.342 4.082 0 40 DIAB CCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616339 ISWPTTUXTGXZAD-TZMCWYRMSA-N 305.418 4.041 0 40 DIAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CC1CCCCC1 409143538 CLXUYKKNKUYMIK-XNTDXEJSSA-N 319.401 4.442 0 40 DIAB Brc1cncc(OC[C@H]2C[C@@H]2c2ccccc2)c1 575424355 ZKNVSMORQGRKIH-IUODEOHRSA-N 304.187 4.027 0 40 DIAB CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1 1754 MYCMTMIGRXJNSO-UHFFFAOYSA-N 307.393 4.405 0 40 DIAB investigational Cc1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2s1 42970 KWIAYRZVWMNTDT-UHFFFAOYSA-N 309.346 4.084 0 40 DIAB biogenic Cc1ccc2nc(-c3ccncc3)c(NC3CCCCC3)n2c1 779112 PFCQXZJJUWAWIM-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB O=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)O 1719574 QODNHPKXKPBBTG-UHFFFAOYSA-N 311.120 4.057 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)cc1 1986141 FSZSRZLKFLKKQS-BJMVGYQFSA-N 301.773 4.309 0 40 DIAB Cc1ccc(-n2c(SC(C)C)nc3ccccc3c2=O)cc1 2268951 BNUBQAKANAWNJA-UHFFFAOYSA-N 310.422 4.195 0 40 DIAB CC(C)[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 4047238 SFAMBPYBOIWAJU-QGZVFWFLSA-N 309.475 4.099 0 40 DIAB biogenic CC(C)N1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 4694875 ZVGMOMHZGIQEJB-YRNVUSSQSA-N 315.316 4.150 0 40 DIAB Cc1c(C=C(Cl)Cl)sc(=O)n1Cc1ccccc1 4944970 MFRYXAUPBARNPS-UHFFFAOYSA-N 300.210 4.043 0 40 DIAB CCc1ccc(-c2nnc(S)n2-c2ccc(Cl)cc2)cc1 4973829 VJJNJIGYLGKRFN-UHFFFAOYSA-N 315.829 4.439 0 40 DIAB COCc1c(C(=O)Nc2cc(F)ccc2F)oc2ccccc12 5676781 KFJFPPSSCVNPGL-UHFFFAOYSA-N 317.291 4.110 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)c1 5942680 ZLHYGZZQAPMNHZ-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C 6141178 ANWOYJJOBACMAG-UHFFFAOYSA-N 310.422 4.115 0 40 DIAB O=C1CSC2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N12 6475822 AJFMVGULQIHXGO-OAHLLOKOSA-N 314.797 4.006 0 40 DIAB Cn1c(SCc2ccccc2F)nnc1-c1ccccc1F 7235879 WSIFWCOILWTRMR-UHFFFAOYSA-N 317.364 4.053 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 8723215 WHSYUMBWKZAKKI-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCC(CC)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8863047 CXDLVMLZUMTAHT-KRWDZBQOSA-N 322.518 4.218 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 10744694 NHELTSVRCSEREB-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB Cc1cc(C)c2cc(CNCc3cccnc3)c(Cl)nc2c1 13534800 JWPPQNXEZABRPH-UHFFFAOYSA-N 311.816 4.190 0 40 DIAB Clc1ccc(OCC2CCNCC2)c(Cc2ccccc2)c1 14631522 GWBAPTHHRHABQY-UHFFFAOYSA-N 315.844 4.309 0 40 DIAB O=C(CCc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21 15198986 LLHHKIROFHRSBQ-MRXNPFEDSA-N 315.413 4.112 0 40 DIAB CC(C)CCOc1cccc(C(=O)Nc2cc(N)ccc2F)c1 19736642 DGTOZBWIOOSAGA-UHFFFAOYSA-N 316.376 4.085 0 40 DIAB CCN(CC)C(=S)SCc1ccc(-c2csnn2)cc1 19854907 HOCVWOKLDOPNLL-UHFFFAOYSA-N 323.512 4.065 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccccc2Cl)s1 19927559 WIPLTNZIKSDHEK-NOZJJQNGSA-N 324.858 4.272 0 40 DIAB CCSc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 20047706 NVOKKEOPVAINPC-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 29051447 WRWBCPJQPDHXTJ-IJMQKCTASA-N 304.474 4.061 0 40 DIAB biogenic Clc1ccc(Cl)c(-c2nn3c(C4CC4)nnc3s2)c1 32094596 CXWZWYZCTRCZNS-UHFFFAOYSA-N 311.197 4.037 0 40 DIAB O=C(Nc1ccncc1)c1ccccc1SCc1ccco1 32904306 OVDJNBMCGFJCKA-UHFFFAOYSA-N 310.378 4.219 0 40 DIAB COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1Cl 35671899 LBJWACVGLPZZHJ-UHFFFAOYSA-N 300.745 4.374 0 40 DIAB Cc1cc(Br)cn2cc(-c3ccc(F)cc3)nc12 36244272 BBPZJVBXHABDFN-UHFFFAOYSA-N 305.150 4.211 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccc(F)cc1 40156678 UENNDZCCVZNYIT-UHFFFAOYSA-N 322.383 4.070 0 40 DIAB Cc1ccsc1C(=O)Nc1ncc(-c2ccccc2)s1 47542952 CZFQAOHLYCMTSG-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CNc1nc2c(s1)[C@@H](c1ccc(SC)cc1)CC(O)=N2 61720739 GRPGJAKZOFQFNQ-SNVBAGLBSA-N 305.428 4.030 0 40 DIAB CCCCN1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 72218825 GKUPEHDCTKWABG-SFHVURJKSA-N 301.478 4.317 0 40 DIAB CC1(C)[C@H]2CN(C(=O)c3ccccc3Cc3ccccc3)C[C@H]21 76041082 HSXKEEYQQADHMO-KDURUIRLSA-N 305.421 4.005 0 40 DIAB CC(=O)N(c1nc(CSc2ccccc2C)cs1)C1CC1 79350791 LXCBTLPPZROIOT-UHFFFAOYSA-N 318.467 4.259 0 40 DIAB Cc1cc(Br)cc2ccn(C(=O)OC(C)(C)C)c12 97062529 UOYGFYZEZWSZSV-UHFFFAOYSA-N 310.191 4.495 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 113959970 RUBCKWOJMOKQJD-QFBILLFUSA-N 323.436 4.265 0 40 DIAB C[Si](C)(C)c1cc([Si](C)(C)C)c(Cl)c(F)c1Cl 195841362 JXPHZYDLLZLSFF-UHFFFAOYSA-N 309.360 4.223 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1cccc(Cl)c1Cl 222563744 UJIQCGRABUCMOY-UHFFFAOYSA-N 322.195 4.222 0 40 DIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 224202744 JSZXQWTYNWHEQC-UHFFFAOYSA-N 324.424 4.086 0 40 DIAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 225361025 PQMVEGHWNDYLSS-IBGZPJMESA-N 323.436 4.002 0 40 DIAB C[C@H](CCc1n[nH]c2ccccc12)N[C@H]1CCCc2occc21 541154231 IBSRACKSWQIVQD-CJNGLKHVSA-N 309.413 4.144 0 40 DIAB CCOc1cc2c(cc1OCC)[C@@H]([C@@H]1CC=CCC1)NCC2 32783 NQOAKPOUJMMSCV-AUUYWEPGSA-N 301.430 4.027 0 40 DIAB CCSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 387992 MTJNAMWWHAAVSI-UHFFFAOYSA-N 322.842 4.417 0 40 DIAB CCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1 3430690 XMEMZLCLVPTIKK-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2)cc1 3536901 GEFABWBREMEFRN-IBGZPJMESA-N 308.425 4.161 0 40 DIAB COc1ccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 4458711 QIOJWTJKSACZQN-LJQANCHMSA-N 305.381 4.148 0 40 DIAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6871699 VPVLOZWHQSGVHW-UHFFFAOYSA-N 318.355 4.268 0 40 DIAB COc1cccc(-c2nnc(SCc3ccc(C)cc3)o2)c1 7939584 DEBZHQRHBUYLCA-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cccs1 8265675 JRIHJPQCEHJTAO-CMDGGOBGSA-N 314.435 4.030 0 40 DIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NC1CCCCC1 8489585 OCZZIJTUECYLEM-LLVKDONJSA-N 320.483 4.226 0 40 DIAB O=c1[nH]c(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 8854790 JANUPDZTKCXNTJ-UHFFFAOYSA-N 316.813 4.184 0 40 DIAB CCC1=CCN(c2cc(C)ccn2)O[C@@H]1c1ccc(OC)cc1 13214753 FKGIPVYPZQTBSD-IBGZPJMESA-N 310.397 4.228 0 40 DIAB O=C(c1ccc(Cl)cc1)N1CCCSc2ccccc21 14245615 XWPJPIYBFRXLRB-UHFFFAOYSA-N 303.814 4.483 0 40 DIAB C[C@@H](CC(=O)Nc1cccc(-c2ccc(F)cc2)c1)n1cccn1 19658456 BJVLDJOCQOXWKL-AWEZNQCLSA-N 323.371 4.279 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)c1 20048133 FRFCDSXXZKJZNV-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CC(C)CCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 21196562 OVQCHKXMYOGBQJ-HXUWFJFHSA-N 321.424 4.205 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577745 XBCKTDSTHNVKDD-UHFFFAOYSA-N 312.388 4.377 0 40 DIAB C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccccc1F 21917249 BUWHEANDYQHOLZ-AWEZNQCLSA-N 310.372 4.048 0 40 DIAB Cc1ccc2c(C)c(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1 27794545 ZCFVFAOCFAXRCT-SNVBAGLBSA-N 324.380 4.415 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 30861484 LUOIUCBMHIZSDS-ZIAGYGMSSA-N 317.816 4.293 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C)c1 30870094 UVCSUPHRVVAKPL-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1 32610316 QPJXNLUAJFQFTP-MRXNPFEDSA-N 304.393 4.277 0 40 DIAB CN(C)c1ccc(NC(=O)/C=C/c2ccco2)c(C(F)(F)F)c1 32832450 IDEARQZSSOKDCC-SOFGYWHQSA-N 324.302 4.016 0 40 DIAB C[C@H](NC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)CCCC2 32863132 JFNRLQPIVXWEMK-INIZCTEOSA-N 322.452 4.468 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C2=CC(=[N+]3CCCCC3)CC(C)(C)C2)C1 33402441 DMCMMNOYIPXYFH-IAGOWNOFSA-N 303.514 4.306 0 40 DIAB COC(=O)c1c(COc2cccc3ccccc23)cccc1OC 35973548 TXJIHVYUYUJZNA-UHFFFAOYSA-N 322.360 4.214 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 36729522 WCSGIEBKCMDPGP-LJQANCHMSA-N 311.425 4.277 0 40 DIAB CC[C@@H](C(=O)Nc1cccc2ccc(OC)nc12)c1ccccc1 49027928 OQDHBGBLADKBJS-MRXNPFEDSA-N 320.392 4.376 0 40 DIAB CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 51540208 FIVNQEMFSFYVEZ-GOSISDBHSA-N 317.454 4.123 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(C)cc2Br)o1 57353741 AUAKMSSUUCKCIO-UHFFFAOYSA-N 309.159 4.194 0 40 DIAB CCc1sc(C(=O)Nc2nc(C)c(SC)s2)cc1C 58183159 KJLIJXLZSTUBNX-UHFFFAOYSA-N 312.485 4.358 0 40 DIAB CC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(C)cc1 68755279 BFRAMWBPJVDFDG-UHFFFAOYSA-N 321.376 4.358 0 40 DIAB Cc1cc(NC(=S)Nc2ccc3c(c2)OCO3)ccc1Cl 71761512 UMSJRFWWOOQXNG-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OC)c1 71844200 ZRJJKRIJMJWIIN-WOJBJXKFSA-N 323.436 4.494 0 40 DIAB CC[C@@H]1CCCCN1C(=O)NCC1(c2ccc(Cl)cc2)CC1 72093864 BCAAIJZXDAHWIS-MRXNPFEDSA-N 320.864 4.346 0 40 DIAB Cc1ccc(-c2n[nH]cc2CNc2cccc(-c3cnco3)c2)o1 95352905 ZWBDQPZBVPHDJO-UHFFFAOYSA-N 320.352 4.245 0 40 DIAB COc1cc(C2(C(=O)Nc3cccnc3C)CCCC2)ccc1C 175185715 CMZVIOVWAYEDCS-UHFFFAOYSA-N 324.424 4.158 0 40 DIAB CCCOc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1 218981715 UVZFQUVFOKFSKY-UHFFFAOYSA-N 311.425 4.146 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223217433 DDNHFOKESJSAMX-JKSUJKDBSA-N 323.436 4.128 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1Cl 223492625 CMPJTPDSAKHPBJ-CYBMUJFWSA-N 317.816 4.456 0 40 DIAB CCSc1ccccc1NC(=O)c1ccc(OC)c(C)c1 223843986 POBKHSXLWRIYCL-UHFFFAOYSA-N 301.411 4.368 0 40 DIAB Cc1cc(C)cc(NC(=O)Cc2cccc(Br)c2)c1 225611980 IPLWNMSDSFTNNO-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1cccs1 253472619 NXNRKYCTKCMQBW-LLVKDONJSA-N 300.383 4.247 0 40 DIAB O=C(/C=C/c1cccs1)N1CCc2sc(Cl)cc2C1 575616837 RTTYZXQOYPZBJY-ONEGZZNKSA-N 309.843 4.061 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 583439899 GQHYKMYMSVJXJM-UEDWAMCQSA-N 300.442 4.389 0 40 DIAB CC(C)(C)OC(=O)n1cc(Br)nc1-c1ccccc1 1857793693 MCQPORHYQGQWGL-UHFFFAOYSA-N 323.190 4.096 0 40 DIAB COc1ccc(CCCC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 366311 QTGGISXMHSCJFL-KDOFPFPSSA-N 303.446 4.021 0 40 DIAB CCc1ccccc1-n1ncc(C(=O)Nc2ccccc2C)c1C 385547 DWTNAHMMUGTDKP-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1 514076 XXTKNDZOUKYGQZ-UXBLZVDNSA-N 301.773 4.309 0 40 DIAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1C 546896 CXSANHSMIJRRAC-UHFFFAOYSA-N 324.409 4.466 0 40 DIAB Cc1ccc(N(Cc2ccccc2)C(=O)c2cccnc2)cc1 577171 ZGEMBZMCFXIEJT-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 578902 MAERZHFGNPLCBU-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB COc1cccc(CCC(=O)c2cccc(Br)c2)c1 2516505 RNLDWFPGXRUKSI-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cc(C)nc2ccccc12 3403140 NCHCPKFUGOZBPU-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 3473483 JMCRQYVKOCWPTA-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CCCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1 3899341 SXXNXMRAFXOIPO-UHFFFAOYSA-N 305.428 4.343 0 40 DIAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)o1 5016970 DONSCPOGCIGSID-INIZCTEOSA-N 308.381 4.402 0 40 DIAB O=C(Cc1cccs1)Nc1cccc(/C=C/c2ccccn2)c1 6820806 KOFLQMAFBOPGOH-MDZDMXLPSA-N 320.417 4.495 0 40 DIAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 7644579 RLSQFUQDGOVJBH-CQSZACIVSA-N 317.816 4.213 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)no2)cc1 11916419 YOEYMFMFMKQPHU-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB O=C(CSc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12 12524797 QSCOGWSEJDVUPQ-UHFFFAOYSA-N 307.378 4.019 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)c(C)c1 12883896 IBVBFVOYXQJXLI-UHFFFAOYSA-N 310.372 4.196 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2cc(F)cc(F)c2)on1 19120218 KGHHNDRUBAYODM-MRXNPFEDSA-N 306.356 4.379 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NC(C(C)C)C(C)C 20483899 ZUWCRCZYRLSLSX-AWEZNQCLSA-N 311.853 4.294 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20493673 DTJJOOBBSVBQAR-INIZCTEOSA-N 311.425 4.122 0 40 DIAB O=C(CCCSc1nc(C2CCCC2)n[nH]1)c1cccs1 21807550 SYWFSFPLCIKTAA-UHFFFAOYSA-N 321.471 4.279 0 40 DIAB O=C(NC1CCCC1)c1ccccc1OCc1ccc(F)cc1 21874151 BVHZCTHURLJAIG-UHFFFAOYSA-N 313.372 4.077 0 40 DIAB Cc1cccc(Nc2ncccc2C(=O)Nc2ccccc2)c1 22053686 MSAQYAHNDUJTIT-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB COc1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 24073669 LBHNWWWXNJMTIK-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB O=C(O)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 33559117 QPZILYADFHQFQV-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 40104657 AJMQMACLDLLXAI-PHIMTYICSA-N 316.323 4.095 0 40 DIAB O=C1COc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21 40217197 BMMUTXWAPCVKBF-UHFFFAOYSA-N 309.148 4.148 0 40 DIAB CS[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 42853368 JIQXHPWYHGTEMU-WCQYABFASA-N 320.483 4.101 0 40 DIAB CCc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 44837596 JWVPQDWTIKGYJL-UHFFFAOYSA-N 305.381 4.200 0 40 DIAB CC[C@H](NC(=O)CCCc1nc2ccccc2s1)C(C)C 48264923 AHZGGIQEMOJXTH-ZDUSSCGKSA-N 304.459 4.170 0 40 DIAB CC(=O)Nc1nc(CN(C)c2ccc(C(C)(C)C)cc2)cs1 52443054 DWWKZSBNEVRFAG-UHFFFAOYSA-N 317.458 4.035 0 40 DIAB Cc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 54669997 KPDOALIYWITQTG-LJQANCHMSA-N 319.404 4.439 0 40 DIAB CC(C)c1noc([C@@H]2CCCN2Cc2ccccc2Cl)n1 67350705 PQZPOWQUZVXEFC-AWEZNQCLSA-N 305.809 4.184 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1Cl 69476291 DQIQRUXKVRJLNA-KGLIPLIRSA-N 317.816 4.293 0 40 DIAB CCCCCNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 71849609 NBRNDBBAXLCETI-UHFFFAOYSA-N 317.355 4.083 0 40 DIAB Cc1cnc(Nc2cccc([C@@H]3CCCN3CC3CC3)n2)s1 72375231 GEGBCGDVTKOOLR-HNNXBMFYSA-N 314.458 4.137 0 40 DIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccc(Cl)cc1Cl 95095905 COTREOPTYUFECN-XVKPBYJWSA-N 301.091 4.012 0 40 DIAB CCOc1c(Cl)cccc1NCc1ccc([S@](C)=O)cc1 95428745 UTMQEFNYPIWDCH-OAQYLSRUSA-N 323.845 4.088 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1Cl 115699188 MPTLSXGFIYUVPB-GFCCVEGCSA-N 303.789 4.148 0 40 DIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224682569 OOBKFUNTLVNTII-UHFFFAOYSA-N 317.454 4.334 0 40 DIAB COc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225356711 VITXDLGGASVCFS-UHFFFAOYSA-N 324.515 4.048 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 226304570 IKCBQDYQWPBVIK-NSHDSACASA-N 318.804 4.054 0 40 DIAB CCc1ccc2occ(C(=O)N3CC[C@@H](c4ccncc4)C3)c2c1 521394425 PUFRHMGJIQQPTD-MRXNPFEDSA-N 320.392 4.020 0 40 DIAB CN(Cc1ccccc1)C(=O)CSc1ccccc1Cl 1400538 VGGAQSDVTVPMEO-UHFFFAOYSA-N 305.830 4.091 0 40 DIAB Cc1cc2sc(NC(=O)C(C)(Cl)Cl)nc2cc1Cl 3169097 TWQVOZBAOYLLEX-UHFFFAOYSA-N 323.632 4.390 0 40 DIAB Cc1cc(C)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1 3254077 YQXBEOQXFPVZKP-UHFFFAOYSA-N 311.454 4.483 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 5443952 MHPUGWXPLNBBSK-XUXNNNHQSA-N 301.405 4.160 0 40 DIAB Cc1cc(SCC(=O)N[C@H](C)C(C)C)nc2c(C)cccc12 5582153 CZKMQNOINMEGCT-CQSZACIVSA-N 316.470 4.104 0 40 DIAB O=C(c1ccccc1)N1[C@@H]2CCCC[C@@H]2S[C@@H]2CCCC[C@H]21 5946447 OVVFTWHENPMSBS-TVFCKZIOSA-N 315.482 4.498 0 40 DIAB Clc1ccc2c(n1)Sc1c(Cl)nc(Cl)nc1N2 6512930 VTVBTAFZUKRSFX-UHFFFAOYSA-N 305.577 4.040 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(C)=O 6832405 VBVWXOCJXFGPBG-UHFFFAOYSA-N 319.360 4.303 0 40 DIAB COCc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1 7078808 WOJKKCGHLKSFNV-INIZCTEOSA-N 303.427 4.022 0 40 DIAB O=C(/C=C/c1ccco1)Nc1ccc2c(c1)nc1n2CCCCC1 7725395 WOVYFRXYOYHHTE-CSKARUKUSA-N 321.380 4.008 0 40 DIAB C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 7794243 YWAQPCOCMDBVJI-LBPRGKRZSA-N 307.315 4.239 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 8041152 CKHAVGQOXCTMKN-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB COc1ccccc1CNc1ccc(Br)cc1C 9291103 VUAKMTCWTDLDNM-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB Cc1cccc(NC(=O)NCCc2ccc(C(F)(F)F)cc2)c1 9885307 GCZSXAGIQOINQV-UHFFFAOYSA-N 322.330 4.378 0 40 DIAB c1csc(-c2nc(N3CCCCC3)ncc2-c2ccncc2)c1 12666122 MBOHVSXXNILUCS-UHFFFAOYSA-N 322.437 4.257 0 40 DIAB NC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 12960516 TZKUTJQWOHHKCN-UHFFFAOYSA-N 322.311 4.081 0 40 DIAB COC(=O)/C(=C(\F)Sc1c[nH]c2ccccc12)C(F)(F)F 13712796 LWPOYWUMTSKIMZ-KHPPLWFESA-N 319.279 4.176 0 40 DIAB Cc1cc(NCc2ccccc2)cc(=O)n1CCc1ccccc1 16808059 LDQLSJGRLVTDEZ-UHFFFAOYSA-N 318.420 4.012 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C/c1nccc2ccccc12 17060888 IRRXVUZUTRHHKJ-CMDGGOBGSA-N 321.376 4.431 0 40 DIAB Cc1nn(-c2cccc(Cl)c2)c2ncc(Br)cc12 19807292 NRFCSKNMYIEGHM-UHFFFAOYSA-N 322.593 4.145 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)[C@]1(C)CC1(Cl)Cl 21926891 WVHWZWLYVNTJNO-INIZCTEOSA-N 322.235 4.382 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1C 22511496 LKHQUCPCAABTGP-SFHVURJKSA-N 311.425 4.086 0 40 DIAB COc1ccc(C)cc1NC(=O)CSCc1ccccc1F 23410843 KKRZLYSMEXBTGP-UHFFFAOYSA-N 319.401 4.015 0 40 DIAB Cc1cc2occ(CC(=O)Nc3ncccc3O)c2cc1C(C)C 32721944 NZMTTXAURSJZAO-UHFFFAOYSA-N 324.380 4.146 0 40 DIAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1Cc1ccccc1 36621763 UBYJCOQOPFVSFQ-OJOWTSHBSA-N 313.400 4.495 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2-c2ccc(C)c(C)c2)cc1 40163734 VMTXQDYCQVICOR-UHFFFAOYSA-N 311.410 4.222 0 40 DIAB FC(F)(F)c1ccc(Nc2ncc(-c3ccncn3)s2)cc1 43796826 HWJXEOYVIHLCJY-UHFFFAOYSA-N 322.315 4.363 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc43)[nH]2)o1 44291906 QNGADUJHBHATEI-UHFFFAOYSA-N 318.376 4.495 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccccc1 44850484 UZFWQDLCIKSUBW-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB O=C(N1CCCC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 53675232 JRXMUGIZUORZCY-UHFFFAOYSA-N 311.347 4.140 0 40 DIAB CCCN(CCC)C[C@@H](O)COC1CCC(C(C)(C)C)CC1 55450210 QTYAZRLLQFIOTL-LXPRWKDFSA-N 313.526 4.091 0 40 DIAB C[C@H]1CCCCN1C(=O)c1ncc(Cl)c(Cl)c1Cl 58080441 MGXHETGYJMKMCP-ZETCQYMHSA-N 307.608 4.056 0 40 DIAB CC(C)[C@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)N1CCCC1 58157602 NSZJELLPEGWZIX-OXQOHEQNSA-N 324.468 4.137 0 40 DIAB NC(=O)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 60844853 FNFLJPXKLOOQJN-UHFFFAOYSA-N 320.373 4.322 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CCC[C@@H](C(F)(F)F)C1 65538065 SUFIBYOVFGWJLQ-GFCCVEGCSA-N 323.318 4.041 0 40 DIAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc2[nH]ccc12 65547404 ITYJRAJALBCWRU-UHFFFAOYSA-N 315.376 4.140 0 40 DIAB CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2)s1 78432520 ZYTMVGWLNWLVSJ-UHFFFAOYSA-N 314.454 4.462 0 40 DIAB O=C(NCc1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80343966 VRNGUAWVAIAHOW-HZPDHXFCSA-N 320.219 4.413 0 40 DIAB CN1CCN(c2ccnc3cc(Cl)ccc23)Cc2ccccc21 83881731 NJKOCVIMZRRUTB-UHFFFAOYSA-N 323.827 4.345 0 40 DIAB CN(C(=O)c1ccnc(NCc2ccsc2)c1)c1ccccc1 85656909 GFYRHGMORLPKMK-UHFFFAOYSA-N 323.421 4.032 0 40 DIAB CSc1cccc(C(=O)c2ccc(Br)cc2)c1 95917194 NVJMEWHEZKHJSD-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB Cc1c(COC(C)C)cccc1NCc1nccn1C(C)C 96466581 NCERBYXFUNRYOW-UHFFFAOYSA-N 301.434 4.310 0 40 DIAB Cc1ccc2c(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)coc2c1 102289211 QXCLSOIVMZEQIT-LDDOYCOJSA-N 311.425 4.225 0 40 DIAB O=C1O[C@@H]2[C@@H]3c4ccccc4[C@H](c4c3ccc3ccccc43)[C@H]2O1 104147675 CALDUTDXAKUVKJ-UAFMIMERSA-N 314.340 4.335 0 40 DIAB COc1cccc(CCCNC(=O)Nc2cccc(Cl)c2)c1 222629185 MIRZBUNBPCDXMX-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB CCc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225043656 KHCLLNMLALWHOW-IBGZPJMESA-N 312.409 4.249 0 40 DIAB CCN(CC)C(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225263064 SFCWNAUTHUPWRX-UHFFFAOYSA-N 307.397 4.020 0 40 DIAB O=C1S/C(=C/c2cccs2)C(=O)N1CC1CCCCC1 409123446 HBIDCZAMSDXQCT-UKTHLTGXSA-N 307.440 4.365 0 40 DIAB CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 409386791 XSSJQDFHINHGNH-UHFFFAOYSA-N 314.332 4.283 0 40 DIAB O=C(c1ccc(F)c2ccccc12)C(F)(F)Br 575357705 XRVFSXRBCHNYLT-UHFFFAOYSA-N 303.077 4.149 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 365083 DBPOVYRITHHGRH-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CC1(C)CC(=O)c2sc(NC(=O)CC3CCCCC3)nc2C1 411109 VYJMKVMKHBXORE-UHFFFAOYSA-N 320.458 4.207 0 40 DIAB CCOC(=O)c1c(-n2c(C)ccc2C)sc2c1CC[C@@H](C)C2 1006267 FYKCCIHJNYJOMH-LLVKDONJSA-N 317.454 4.457 0 40 DIAB COc1cnc(-c2ccccn2)nc1Sc1ccc(C)cc1 1381874 TYVJSAXUBHZRDD-UHFFFAOYSA-N 309.394 4.007 0 40 DIAB Cc1csc(NC(=O)C2(c3ccccc3F)CCCC2)n1 3427360 PABUEOIXJGWIOK-UHFFFAOYSA-N 304.390 4.041 0 40 DIAB CC(C)(C)c1csc(NC(=O)CSc2ccccc2)n1 4496634 RBTNXRWXOIHLKQ-UHFFFAOYSA-N 306.456 4.171 0 40 DIAB CCOc1ccccc1CNc1ncc(-c2ccc(C)cc2)n1C 4678375 RSXMVQQVHLNRFV-UHFFFAOYSA-N 321.424 4.406 0 40 DIAB Cc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1 5410598 SDZFHAWERFDQHO-UHFFFAOYSA-N 313.470 4.030 0 40 DIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 6500048 KAYYIYDHRSEWHR-OWAZHJKWSA-N 320.473 4.091 0 40 DIAB biogenic CCOc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1OC 8324675 MRFNPVAUYAYRRA-UHFFFAOYSA-N 315.457 4.152 0 40 DIAB O=C(OCc1cc(-c2ccco2)on1)c1cc2ccccc2o1 8501356 PJQATPZVMAZNTA-UHFFFAOYSA-N 309.277 4.038 0 40 DIAB C[C@H](NC(=O)COc1cccc2ccccc12)c1cccs1 12779339 RURRBMJZWXVDMT-ZDUSSCGKSA-N 311.406 4.158 0 40 DIAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(C)n1C1CC1 12814535 MRZMEGCDPOKJRE-HOTGVXAUSA-N 300.446 4.092 0 40 DIAB COc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12853095 UOTCOGMURVXJHI-KRWDZBQOSA-N 315.800 4.230 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2C)cc1 14002689 NYCCFCIEEFRDGJ-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB CCC[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 16047135 BQOPHBYHXKUSBK-RHSMWYFYSA-N 321.424 4.115 0 40 DIAB COc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 19179750 KXTZMBDTKVRDLM-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1CC12CCC2 19349643 XEKNLZDQTJNQPJ-CYBMUJFWSA-N 316.401 4.002 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 20039116 NPFUHYCRVJUTRL-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1c2ccccc2C[C@@H]1C 20050224 DRZNNQASBBEJQL-HNAYVOBHSA-N 309.409 4.130 0 40 DIAB Cc1cccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)c1 20632836 IQMSSSLMMYGXIV-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB Fc1ccc(-c2cnc(CN3CCc4sccc4C3)o2)cc1 21419327 SEXPZSJAEMLCNF-UHFFFAOYSA-N 314.385 4.101 0 40 DIAB CCCSc1nc2ccccc2c(=O)n1CC1CCCC1 26947365 LUUMKCOJCAUHMF-UHFFFAOYSA-N 302.443 4.089 0 40 DIAB CCCn1nccc1C(=O)N(C1CCCCC1)C1CCCCC1 28241845 LMNHKNNSKOGXDP-UHFFFAOYSA-N 317.477 4.401 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CCCc1nc(C(C)C)no1 40515666 ZWWCSVBQKUQKCQ-UHFFFAOYSA-N 321.808 4.116 0 40 DIAB O=C(Cc1cc2ccccc2oc1=O)c1ccc2ccccc2c1 59474343 OUCIZQLZSNFADF-UHFFFAOYSA-N 314.340 4.372 0 40 DIAB COc1ccc(C(=O)N(C)c2ccccc2-c2ccccc2)cn1 68239877 HCESFINVLVCDCW-UHFFFAOYSA-N 318.376 4.034 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH]c1=S 72217056 AHWHZYSSYBVWFP-OAHLLOKOSA-N 314.410 4.218 0 40 DIAB CC(C)c1nc(C[S@@](=O)[C@@H](C)c2ccc(F)cc2)cs1 84631041 CDPYAFQHVQENRQ-YBTHPKLGSA-N 311.447 4.416 0 40 DIAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1c1cccc2ccccc12 107498807 QJMMGZLPQTWIDY-GEALJGNFSA-N 321.420 4.071 0 40 DIAB NC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895888 SAZFUKQRRGTRBC-FNORWQNLSA-N 322.191 4.071 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](C)c1ccccc1 224434195 SZBUTVMNDXTTDI-WMZOPIPTSA-N 311.425 4.072 0 40 DIAB Cc1cc(C)c(C(=O)NCCSCc2ccccc2)cc1C 225639994 KZFONAOKNIZNPP-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccsc1 575620940 NCNVTYAVYXABBB-LLVKDONJSA-N 301.436 4.324 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1ccc2ccccc2c1 385429 NOSCDIVKXJUENF-UHFFFAOYSA-N 302.333 4.162 0 40 DIAB Cc1ccc2cc([C@@H]3NC(=O)c4ccccc4N3)c(Cl)nc2c1 421616 FWUVGWJMHYUISN-KRWDZBQOSA-N 323.783 4.051 0 40 DIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(Cl)c1 574324 LQZHDPZFEJEBCL-MDZDMXLPSA-N 317.772 4.009 0 40 DIAB CCCC[C@@H](CC)CNC(=O)/C=C/c1ccc(OC)cc1OC 1780401 ZTQMLVAJNYSFOY-HBIYDYFMSA-N 319.445 4.050 0 40 DIAB COC(=O)/C(=C(/F)Sc1cc(C)c(O)c(C)c1)C(F)(F)F 1901996 WYVZUWOMKMJFHS-PKNBQFBNSA-N 324.295 4.018 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1C 2634123 MQKIRNXRGRXPMV-UHFFFAOYSA-N 319.404 4.363 0 40 DIAB aggregator CC[C@@H](C)c1ccccc1NC(=O)CNc1ccc(F)cc1 3257559 BBVWAMFUAZYFIZ-CYBMUJFWSA-N 300.377 4.390 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)c1 3380543 BUUGISAGYGFVPL-QGZVFWFLSA-N 320.436 4.111 0 40 DIAB Cc1ccc2c(CC(=O)Nc3ccc4c(c3)CCC4)coc2c1 3525007 ZPAYXQDLMZBYID-UHFFFAOYSA-N 305.377 4.411 0 40 DIAB Cc1cc(C)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c(C)c1 3536968 GDAHMTDTBPXSDF-INIZCTEOSA-N 308.425 4.002 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 4457073 NBXPZAHAEKDHRP-ZRRZQRFHSA-N 314.410 4.013 0 40 DIAB COc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1 4570574 NQACVRWYTUYHQZ-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB CCc1cc2cc(C)ccc2nc1SCC(=O)OC(C)C 4849315 VLEMHZLFXLXINL-UHFFFAOYSA-N 303.427 4.149 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)Cc3ccc(F)cc3)nc12 5268476 RDPANZZPTLMODI-UHFFFAOYSA-N 314.385 4.233 0 40 DIAB CCOc1ccc2nc(SC[C@H]3CC3(Cl)Cl)[nH]c2c1 5817675 UHJUIVPFOFFAAE-MRVPVSSYSA-N 317.241 4.248 0 40 DIAB CCCCC1=N[C@@H]2Sc3c(OC)ncnc3[C@H]2C2=C1CCC2 6309873 HYHRKZCFCQWYHI-CXAGYDPISA-N 315.442 4.126 0 40 DIAB COc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1 7652171 KWLWYICGPAWPCT-UHFFFAOYSA-N 320.392 4.041 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccs1 7988294 DHOAVRCEKKKODW-MRXNPFEDSA-N 310.422 4.136 0 40 DIAB Cc1cc(C)nc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 13283717 URANGSXTJXVWMX-UHFFFAOYSA-N 309.291 4.361 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 15331136 WEQWZMDSPLPPGA-VIFPVBQESA-N 311.715 4.024 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccc(Cl)cc2)s1 19927575 IDPMIYRZFADNIZ-ZANVPECISA-N 324.858 4.272 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)c1 30047619 NJOSYEZKELLEEE-INIZCTEOSA-N 300.446 4.111 0 40 DIAB Cc1cccc(-c2noc(CN(C)[C@H]3CCc4ccccc43)n2)c1 30925751 GKZKIEPOSGWMAX-SFHVURJKSA-N 319.408 4.164 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)CCc2ccsc2)cc1 31693480 DWEHVTZVFZTOTJ-GFCCVEGCSA-N 305.468 4.280 0 40 DIAB Cc1cccc(C(=O)Oc2ccc(C3SCCS3)cc2)n1 32909507 ZHUGILSPXILWJN-UHFFFAOYSA-N 317.435 4.088 0 40 DIAB Cc1nc(Cc2nc(-c3cc(F)ccc3F)cs2)cs1 40086302 AAMPCXGJPORDEJ-UHFFFAOYSA-N 308.378 4.444 0 40 DIAB c1ccc2c(N3CCCCCC3)nc(N3CCCCC3)nc2c1 41149301 SPPHUGVOBIHPNP-UHFFFAOYSA-N 310.445 4.001 0 40 DIAB CCN(C(=O)Nc1ccc(F)cc1F)[C@H](C)c1cccc(O)c1 49999251 YHSYCDYUEPLENW-LLVKDONJSA-N 320.339 4.285 0 40 DIAB Cc1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)cc1C 58245953 GAFZAXLKQZMLIY-UHFFFAOYSA-N 308.356 4.486 0 40 DIAB Clc1ccc(Cc2nc(Cl)cc(-c3cccnc3)n2)cc1 78401383 HZMAUVBHAOTTLP-UHFFFAOYSA-N 316.191 4.436 0 40 DIAB CCc1cc(C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)sc1C 95994003 AYZFTYPXHHOUIC-HZPDHXFCSA-N 323.502 4.333 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCCc2ccccc21 216246858 UVEPXUFACFOXMX-LJQANCHMSA-N 323.436 4.440 0 40 DIAB COc1cc(C)c(C(=O)NCCSC(C)(C)C)cc1C(C)C 225658531 STEDJQRHZBUJJD-UHFFFAOYSA-N 323.502 4.389 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2OC=O 253617420 ZQSXNBHXKJQHBH-MSGOCEQQSA-N 318.457 4.140 0 40 DIAB CO[C@@H](c1ccccc1)c1nnc(COc2cc(C)ccc2C)o1 521393804 JCISCXXEOOQKCA-SFHVURJKSA-N 324.380 4.001 0 40 DIAB Fc1cccc(F)c1C1(NCc2ccc3nc[nH]c3c2)CCC1 585123229 HJPGJHIGQGIBNH-UHFFFAOYSA-N 313.351 4.010 0 40 DIAB CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 126089 JDJDATZEGHGLLI-UHFFFAOYSA-N 310.397 4.195 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 362959 SESQRSYGQJTKGQ-UHFFFAOYSA-N 319.360 4.269 0 40 DIAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 1644595 HSBQNSJYZKDWEL-ZDUSSCGKSA-N 311.410 4.216 0 40 DIAB CCCCOc1cc2oc(=O)c3c(c2cc1CCC)CCC3 2299224 MSEVCUZMOJJGBJ-UHFFFAOYSA-N 300.398 4.413 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 3347302 ISQSFORRDWWGLZ-UHFFFAOYSA-N 307.821 4.142 0 40 DIAB CCC(CC)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4723571 UMMPPUOLLCJUML-SECBINFHSA-N 304.217 4.066 0 40 DIAB CCC(CC)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4723572 UMMPPUOLLCJUML-VIFPVBQESA-N 304.217 4.066 0 40 DIAB CCC[C@H](C(=O)Nc1ccc(OC)cc1OC)c1ccccc1 5460856 FDRHDORNUKOSIU-INIZCTEOSA-N 313.397 4.226 0 40 DIAB CC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 6022748 UCNDTJMWZZQJJJ-UHFFFAOYSA-N 304.802 4.352 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc4ncccc4c3)cc2c1 6954291 PINNVCXUQSLABM-UHFFFAOYSA-N 318.332 4.242 0 40 DIAB CC(C)(C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699817 JYJVWZRNWSFOIP-UHFFFAOYSA-N 317.816 4.447 0 40 DIAB COc1ccc(NC(=S)Nc2cccc3ncccc23)cc1 8395164 GCMGZGPXFILEDX-UHFFFAOYSA-N 309.394 4.052 0 40 DIAB CC(=O)c1ccc(-c2ccc(NC(=O)c3ccccn3)cc2)s1 8986766 KUAAJLPEIZTUIS-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB Cc1coc(C)c1C(=O)Nc1ncc(Cc2ccccc2)s1 9763968 JODHJRXCVZXAGN-UHFFFAOYSA-N 312.394 4.196 0 40 DIAB COc1cccc2c1N(C(=O)Cc1ccccc1)C(C)(C)C=C2C 10157741 QTLASWVIBGCMNF-UHFFFAOYSA-N 321.420 4.466 0 40 DIAB O=C(CCc1ccco1)Nc1ccc(Cl)c2ncccc12 12749387 GSLRAQYFHHPTBC-UHFFFAOYSA-N 300.745 4.053 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1C 15366665 AMSTUEFNDAAJCD-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB C[C@@H](NC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 17115581 QKXHKODJUGBYBO-GFCCVEGCSA-N 322.330 4.266 0 40 DIAB CCCc1nc2nc(-c3ccco3)cc(-c3ccccc3)n2n1 20635842 AKHFPVYRSZVIPO-UHFFFAOYSA-N 304.353 4.004 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1OC(F)F 29137623 GMPDWYSBXBWHLF-YLSINNKHSA-N 317.335 4.179 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccccc2)on1 32197366 ROPPPDPQCJMINJ-KRWDZBQOSA-N 318.376 4.149 0 40 DIAB Cc1ccc(-c2cn3cc(Br)cc(C)c3n2)cc1 36244271 AVWMPRGFWCRUFQ-UHFFFAOYSA-N 301.187 4.381 0 40 DIAB CCOc1ccc(NC(=O)/C(C#N)=C\C=C\c2ccccc2)cc1 43079400 IGYLSWPOQREVPG-XEWCJNAKSA-N 318.376 4.187 0 40 DIAB Cc1nnc2sc(-c3cc(Cl)cc(Cl)c3Cl)nn12 45920152 AIWGZCZKIKIMDP-UHFFFAOYSA-N 319.604 4.121 0 40 DIAB C[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccccc1 48167604 MVKJMHMBBCPJNJ-INIZCTEOSA-N 309.409 4.307 0 40 DIAB Cc1sc(CNC(=O)C(C)C)nc1-c1ccc(Cl)cc1 48926260 CBOAQDNPQWTWTL-UHFFFAOYSA-N 308.834 4.044 0 40 DIAB Nc1ccc(-c2nc3cccc(Cc4ccccc4)c3o2)c(O)c1 57352772 NBUXRTONJMKSAQ-UHFFFAOYSA-N 316.360 4.373 0 40 DIAB CN(C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1 58357878 WADHLDHCHVDHFU-UHFFFAOYSA-N 304.349 4.151 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1nccc2ccccc12 58366664 VAPZWQTXSLFHCD-LBPRGKRZSA-N 308.406 4.056 0 40 DIAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1O 76275229 SNUMGYYOBHMBCX-UHFFFAOYSA-N 307.777 4.065 0 40 DIAB CC(C)c1nc(CS[C@@H](C)c2ncc(C(C)(C)C)o2)no1 85228595 WOIVFXXZXMGSRN-JTQLQIEISA-N 309.435 4.473 0 40 DIAB Oc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F 90413643 FXBCIYDXVSFONE-UHFFFAOYSA-N 309.003 4.192 0 40 DIAB Cc1ccc2c(c1)C1(CC2)CCN(C(=O)OC(C)(C)C)CC1 91303133 FQBPMSCUQVUXFR-UHFFFAOYSA-N 301.430 4.210 0 40 DIAB in-vitro Fc1cc(Br)cc(OC(Cl)(Cl)Cl)c1 95215432 IODRHQJZDJRSCG-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222981783 HIGVRAUHLWWOMF-OAHLLOKOSA-N 323.436 4.455 0 40 DIAB Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225841211 RNNILUMJPQWTGG-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352297 KHMLUWWEGICRQO-UHFFFAOYSA-N 321.760 4.427 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3CCCCCC3)c(C)n2)cc1 257173333 KEJRXGPWFCJYIN-UHFFFAOYSA-N 308.425 4.382 0 40 DIAB C[C@H]1c2ccc3cccnc3c2O[C@H](C)N1C(=O)c1ccccc1 408733737 PJBWENPZWOIDDN-UONOGXRCSA-N 318.376 4.177 0 40 DIAB Cc1cccc(CSCCNC(=O)c2cccc(Cl)c2)c1 408905844 AAOCYMSVOCFLQS-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1 319022 OBFDEKFCTVMEOO-UHFFFAOYSA-N 303.361 4.399 0 40 DIAB C[C@H]1C[C@H](C)CN(c2nc(-c3ccncc3)nc3ccccc23)C1 520955 RZOQKTWQEPZBEZ-GJZGRUSLSA-N 318.424 4.174 0 40 DIAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)ccc1Cl 574417 HYEMAHRHUKPIAT-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB COc1ccc(-c2cn(-c3ccccc3)c(=S)[nH]2)cc1OC 2686548 WVIYJGYAUZWYSO-UHFFFAOYSA-N 312.394 4.219 0 40 DIAB CCOC(=O)c1sc(NC(=O)c2ccc(CC)cc2)cc1C 3229854 XQTWXNQCLQTTEJ-UHFFFAOYSA-N 317.410 4.048 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C 3482276 HRZCJLLKUXNUGH-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1ccccc1[C@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 5451775 PCUGLKJRHFBOMP-OAHLLOKOSA-N 302.377 4.093 0 40 DIAB C[C@@H](NC(=O)Cc1ccccc1F)C12CC3CC(CC(C3)C1)C2 6879198 ZACUHCZJRAYIIZ-XXWNAHEMSA-N 315.432 4.089 0 40 DIAB COc1ccc(CNc2nc(C)nc3sc(C)c(C)c23)cc1 8148622 JGXJNQINSNPSSP-UHFFFAOYSA-N 313.426 4.237 0 40 DIAB Cc1cc(OCc2nc(-c3ccc(F)cc3)no2)ccc1Cl 8220881 UKGJSGCDOXIZHN-UHFFFAOYSA-N 318.735 4.417 0 40 DIAB Clc1ccc(C(OC[C@H]2CO2)c2ccc(Cl)cc2)cc1 12480268 GKWPFUSVMXXVND-OAHLLOKOSA-N 309.192 4.498 0 40 DIAB in-vitro O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1 12620277 YKDAPGWSKDYYJB-CQSZACIVSA-N 303.814 4.307 0 40 DIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 13298426 KDPQTPZDVJHMET-DMUMMCEESA-N 312.409 4.037 0 40 DIAB CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCCNC2)cc1 14631259 CEADWIJTPPOBLJ-KRWDZBQOSA-N 309.453 4.391 0 40 DIAB Cc1ccccc1NCC(=O)Nc1ccc(Cl)c(Cl)c1 15085235 ZROSWZSSXZXEMC-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB CC1CCN(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)CC1 17162137 FEJLGENAAYQLTP-UHFFFAOYSA-N 318.420 4.431 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 32843238 JCGOYHFAMNDAGR-YXYZJKKLSA-N 301.474 4.310 0 40 DIAB CCc1ccc([C@@H]2CCCCCN2Cc2nnc(C3CC3)o2)o1 89286691 PPRHDSDAMMGJHY-HNNXBMFYSA-N 315.417 4.220 0 40 DIAB Cc1nocc1C(=O)N1CCC2(CC[C@H](C)c3ccccc32)CC1 96079684 XKKQYRFMXXBZSP-AWEZNQCLSA-N 324.424 4.054 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C2 104673611 AFBUFMBELISYHX-YEWWUXTCSA-N 305.849 4.214 0 40 DIAB C[C@H]1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]12 118924660 XHGXHTGXZKYMDE-AJHBJYRYSA-N 304.474 4.205 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 160750078 OEXQZTVCGYKVFB-UHFFFAOYSA-N 302.377 4.497 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 222564122 WFWRMWAXYBISPK-UHFFFAOYSA-N 322.195 4.222 0 40 DIAB Cc1ccc(C)c(C(=O)NCCOc2cccc3ccccc23)c1 223573846 RWALTOMECIBFLT-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB O=C(O)[C@@H](Cc1cccc2ccccc12)OCc1ccccc1 225050118 XJNLWYOCXYUWDY-LJQANCHMSA-N 306.361 4.052 0 40 DIAB Cc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225356080 BTYUAGWNUFCIFA-UHFFFAOYSA-N 308.516 4.347 0 40 DIAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccsc1 390825937 RPOAMYJJFRIZIN-UHFFFAOYSA-N 319.389 4.315 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 579652 QQFUKRCIPZGQPG-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1F 2523685 HIEGDBRJAYGLNK-UHFFFAOYSA-N 317.364 4.053 0 40 DIAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OC 3481952 QRCDSXHQZYTHHN-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccn2)N3)C1 4108148 SSJSLAWCQXIKDK-MEBBXXQBSA-N 313.426 4.087 0 40 DIAB COc1ccc([C@@H]2C=C(c3ccc(F)cc3)NC(=N)S2)cc1 5917575 UBRNDOCAUUDKEB-INIZCTEOSA-N 314.385 4.188 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 7068807 UKQGFDZDLIURDK-CQSZACIVSA-N 315.800 4.147 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 7381970 NCIHEGRPZYIGJE-GFCCVEGCSA-N 321.417 4.448 0 40 DIAB Cc1ccc(-c2noc(SCC(=O)c3ccccc3)n2)cc1 7610231 CZUJZOVIABIFSX-UHFFFAOYSA-N 310.378 4.020 0 40 DIAB CCCCNC(=S)N(C)C(c1ccccc1)c1ccccc1 7637307 GGQLVBFYSGNPNH-UHFFFAOYSA-N 312.482 4.382 0 40 DIAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 7765953 GMRGZXZOZROLNI-UHFFFAOYSA-N 317.344 4.335 0 40 DIAB CCc1ccc([C@@H](NC(=O)c2ccccn2)c2cccs2)cc1 9900948 BCWJUBYUMKMTIH-GOSISDBHSA-N 322.433 4.225 0 40 DIAB CCc1ccc(CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 10334522 IDQNRKDAAMDHEP-UHFFFAOYSA-N 317.816 4.482 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916788 KPETZJBSVHPHAQ-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CCOc1ccc(NC(=O)CCSCc2ccccc2)cc1 13687911 GSIQCNOCJLWCCJ-UHFFFAOYSA-N 315.438 4.347 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1Cl 13994489 MVCPCNUYHRRJFG-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccc(F)cc2)no1 15304089 YMUJQKWNOTXOEE-ZDUSSCGKSA-N 323.371 4.217 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccccc1 15652732 XWVBOZQJIVVWJG-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CC(C)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 21536274 RVNBCBRSXVZLJH-QGZVFWFLSA-N 306.409 4.072 0 40 DIAB CC(C)(C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258237 ZNSKLZTZXJJTQZ-UHFFFAOYSA-N 317.816 4.447 0 40 DIAB Cc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1 42309600 FRDGXTLLWUHGQB-UHFFFAOYSA-N 323.190 4.014 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccs1 44315245 HXRTVNCBFSQNAR-CHWSQXEVSA-N 305.468 4.247 0 40 DIAB CCCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 44845512 ZBGYWZDJASHRGF-UHFFFAOYSA-N 318.804 4.451 0 40 DIAB CCN(C(=O)c1ccc2c(c1)OCO2)c1ccc2ccccc2c1 58133436 CHYKHZBMSMKZFN-UHFFFAOYSA-N 319.360 4.235 0 40 DIAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(-c2cnco2)cc1 58419080 IJNOLWPGPGLAEC-UHFFFAOYSA-N 320.392 4.392 0 40 DIAB O=C(Nc1ccc(F)cc1Cl)N(Cc1ccco1)C1CC1 65594999 FBWPCWCPEWDGSX-UHFFFAOYSA-N 308.740 4.269 0 40 DIAB CC(C)(C)n1cc(-c2nc3ccccc3n2CC(F)(F)F)cn1 89761603 FNWBUWADOJFIHJ-UHFFFAOYSA-N 322.334 4.217 0 40 DIAB CCc1nn(C)cc1CNCc1ccc(Oc2ccccc2)cc1 92385760 QDYZNSFEJPFYJV-UHFFFAOYSA-N 321.424 4.065 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 95098037 QIJOSZULVJRYBA-CQSZACIVSA-N 300.402 4.282 0 40 DIAB O=C(Nc1ccccc1-c1ccccc1)c1cc(O)nc(Cl)c1 95469224 IXLKVKPOXLAKBS-UHFFFAOYSA-N 324.767 4.360 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)CCO3)C1(C)C 106757906 FHQPLJZUZCSGSW-QBIMZIAESA-N 313.441 4.037 0 40 DIAB CCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 107058465 UCZCMIPOXXIESO-QINHECLXSA-N 324.468 4.137 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1C 222784926 JWXVYIGQJLUHFG-GOSISDBHSA-N 315.388 4.089 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCC1CCCCC1 224442958 WCJOTSVBBOVTLU-HNNXBMFYSA-N 309.837 4.194 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225074403 DSCGADIQDLSCFT-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1cc(C)c(C(=O)NCc2cccc(OC(C)C)c2)cc1C 225648698 XTYFUGVZDLQKFQ-UHFFFAOYSA-N 311.425 4.329 0 40 DIAB Cc1ccc2c(/C=C/c3ccc4c(c3)OCO4)cc(=O)oc2c1 408733659 ZGTHFMWGZZEEIK-HWKANZROSA-N 306.317 4.001 0 40 DIAB CCCCOC(=O)c1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)cc1 409062938 DEBUCLGBYAXTED-ZHACJKMWSA-N 315.325 4.151 0 40 DIAB Cc1ccnc(SCn2c(=S)sc3ccccc32)n1 156296 MQSJMUHVGNAXSF-UHFFFAOYSA-N 305.453 4.281 0 40 DIAB C[C@H]1CCCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 550915 PDICMQILBCGFPZ-JTQLQIEISA-N 300.793 4.001 0 40 DIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 1858816 GVNHCEHCQBCEQK-UHFFFAOYSA-N 302.399 4.129 0 40 DIAB COc1nc2ccccc2cc1-c1noc(-c2cccs2)n1 2224169 QHVBCLVLPBAANN-UHFFFAOYSA-N 309.350 4.022 0 40 DIAB O=C(c1ccc(CN2CC=CC2)cc1)c1cc(F)cc(Cl)c1 2514915 MPQNWXMMVGMDTE-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB Cc1cccc(CSC2=NCCN2C(=O)C2CCCCC2)c1 4120175 QKDZJHDDMKAYFX-UHFFFAOYSA-N 316.470 4.007 0 40 DIAB Cc1nc(SCc2cn3cccc(C)c3n2)c2ccccc2n1 4221313 QNCKYASXNOFQPY-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB Cc1nc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2s1 5578199 HTUMVTUPIFFHRJ-UHFFFAOYSA-N 310.422 4.403 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2C)n1 6810438 CASKUWHMOYADPH-UHFFFAOYSA-N 321.833 4.111 0 40 DIAB CCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 8227195 ANOHALAMVQWJMM-UHFFFAOYSA-N 311.834 4.099 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc2c(s1)CCC2 8825679 SZPZYPJTTMBWRX-CYBMUJFWSA-N 315.463 4.204 0 40 DIAB CCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 9141919 BDXBONQEJPXWFA-UHFFFAOYSA-N 310.397 4.096 0 40 DIAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 12493098 KMNVPCQHVWLAJG-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Nc1nc(CSc2ccc(F)c(Cl)c2)nc2ccccc12 12634112 LAKYUMWHSFOWNS-UHFFFAOYSA-N 319.792 4.297 0 40 DIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CC1(Cl)Cl 12760427 KBJMIAXAZAWIIP-GFCCVEGCSA-N 306.192 4.071 0 40 DIAB O=C(COc1cccc2ccccc12)N(Cc1ccco1)C1CC1 12880659 DCPQKSBGWPYAOT-UHFFFAOYSA-N 321.376 4.003 0 40 DIAB CC[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 17886519 RUBTUTGMVNYVMB-QGGNESHTSA-N 311.469 4.439 0 40 DIAB COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1 23232887 UQXVJMKBIPJUBK-UHFFFAOYSA-N 304.777 4.013 0 40 DIAB Cc1cc(CN(C)C(=O)c2sc3ccccc3c2Cl)no1 25137121 KFOGSTXZBIUPLQ-UHFFFAOYSA-N 320.801 4.123 0 40 DIAB COC(=O)c1cccc(CSc2nc(-c3ccccc3)c[nH]2)c1 27660168 HITCIDCNCXEPGM-UHFFFAOYSA-N 324.405 4.156 0 40 DIAB Cc1cc([C@H](C)NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)s1 31951382 BWQSQSVZBINHSQ-QPUJVOFHSA-N 306.258 4.126 0 40 DIAB CCc1cccc(C)c1NC(=O)c1ccc(Cn2ccnc2)cc1 38856989 ZSQNMFPHAOLLDO-UHFFFAOYSA-N 319.408 4.055 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 40012190 KOSUTZQLHKADKS-IUODEOHRSA-N 303.427 4.056 0 40 DIAB CCN(C(=O)c1nc(-c2ccco2)sc1C)c1ccccc1 40062723 QTIMQYSFCRNJPC-UHFFFAOYSA-N 312.394 4.378 0 40 DIAB CCOC(=O)c1cc(C(F)(F)F)cnc1Oc1ccccc1 40566713 ZBLUZHPUGGHCAC-UHFFFAOYSA-N 311.259 4.069 0 40 DIAB O=[S@](Cc1cccc(F)c1)Cc1csc(C2CCCC2)n1 69743426 PKNWAKCTRSVHHZ-NRFANRHFSA-N 323.458 4.389 0 40 DIAB Cc1cccc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)cs2)c1 75136648 OIRBTSURZDWZEI-ZDUSSCGKSA-N 323.421 4.005 0 40 DIAB c1ccc(OC[C@@H](NCc2cscn2)c2ccccc2)cc1 78663130 MBMWXUNAMSYSSO-GOSISDBHSA-N 310.422 4.053 0 40 DIAB CCOC(=O)CCCOc1ccc(C(F)(F)F)cc1Cl 95733768 FLWSRJFQWSGZBV-UHFFFAOYSA-N 310.699 4.081 0 40 DIAB CCCCC[C@@H](CC)C(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 100921774 LBIKQFGVWXYZPI-WBVHZDCISA-N 314.429 4.201 0 40 DIAB O=C(O)N(Cc1ccccc1)c1ccc(Br)c(F)c1 118225463 XSOBEYRSJABYSQ-UHFFFAOYSA-N 324.149 4.273 0 40 DIAB O=C(CCc1cccc2ccccc12)NCCc1ccccc1 222656978 LOEUQLVRCCTLCW-UHFFFAOYSA-N 303.405 4.131 0 40 DIAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccccc1 222678071 NNZTXULEJQOVST-SFHVURJKSA-N 311.425 4.204 0 40 DIAB Fc1cccc(F)c1NC(=S)N[C@H]1CCCc2ccccc21 225460443 JCBVAZNKIYOUKF-HNNXBMFYSA-N 318.392 4.329 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 225633079 BQOHRYOICLVJRV-KSSFIOAISA-N 305.418 4.009 0 40 DIAB Fc1ccc(CN2CCCC[C@H]2c2ncn3ccsc23)cc1 257284801 PEJLCDGDZXBVHZ-HNNXBMFYSA-N 315.417 4.262 0 40 DIAB Cc1cc(C)c(NC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c(C)n1 519746765 DRAATBUYUVQHHF-KRWDZBQOSA-N 324.428 4.017 0 40 DIAB N=[S@](=O)(Cc1ccc(Br)cc1)c1ccccc1 1565504909 DZGXAOVCOTUSIX-KRWDZBQOSA-N 310.216 4.055 0 40 DIAB CCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 145069 QWMOLWHLMKTHGS-UHFFFAOYSA-N 304.802 4.188 0 40 DIAB CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1ccc(F)cc1 1392403 KGDGIUNOWNPYFF-KRWDZBQOSA-N 313.372 4.280 0 40 DIAB COC(=O)c1sc2cc(Br)ccc2c1Cl 2805731 WIUQXEWEHZPEDL-UHFFFAOYSA-N 305.580 4.104 0 40 DIAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1Cl 3279621 ICAMPJZXJHDSHQ-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CCn1cc(CC[C@H](C)NC(=O)c2ccco2)c2ccccc21 3765593 JFXKGIMIQNXHNV-AWEZNQCLSA-N 310.397 4.005 0 40 DIAB O=Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 4207368 HBRRKHIEUQLAJW-UHFFFAOYSA-N 302.333 4.157 0 40 DIAB CCCCCOc1ccc(N2C(=O)c3ccccc3C2=O)cc1 5410889 OEGFNFJIVFKAJP-UHFFFAOYSA-N 309.365 4.056 0 40 DIAB Cc1ccccc1C(=O)N1CCn2cccc2[C@H]1c1ccccc1 6504590 YUVDMZIGSUGYSH-HXUWFJFHSA-N 316.404 4.042 0 40 DIAB Fc1ccc(C2=Nc3ccccc3C(c3cccs3)=NN2)cc1 6557756 GGFJZRSMSMZIHG-UHFFFAOYSA-N 321.380 4.321 0 40 DIAB CC(=O)c1cccc(NC(=S)N2CCCc3cc(C)ccc32)c1 6631124 TYWKURJFXHAIID-UHFFFAOYSA-N 324.449 4.347 0 40 DIAB Cc1cc(O[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl 6988755 AMXVVDXXEGHWSV-QGZVFWFLSA-N 315.800 4.047 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 7402385 SGLOCSRWIFULPN-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB CCCc1nn2cc(-c3cccc(Br)c3)nc2s1 7994989 TZPRSMXAHWCCKJ-UHFFFAOYSA-N 322.231 4.173 0 40 DIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 8750310 SEWSKRJXMIZSBK-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB Cc1sc2[nH]c(-c3ccccn3)nc(=O)c2c1-c1ccccc1 13598001 BBQMALWNAZQCGJ-UHFFFAOYSA-N 319.389 4.022 0 40 DIAB CC(C)NC(=O)COc1ccc(Cl)cc1C1CCCCC1 14351274 SCBOYLRAORLAHO-UHFFFAOYSA-N 309.837 4.291 0 40 DIAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 14565761 NVHUQCKWBOIDDS-UHFFFAOYSA-N 320.751 4.080 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 20492819 MTGFVTSZVFAVON-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB CCCCn1nc(NC(=O)CC)c2cc3cc(C)ccc3nc21 21596594 CJSMCLDJPFBYFI-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB Cc1ccccc1-c1noc(-c2c[nH]nc2-c2ccccc2)n1 23125433 KSJASQANGOUURN-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccccc1C(F)(F)F 36748231 MFSJUFSYVADZBZ-JNZVMSIHSA-N 323.358 4.260 0 40 DIAB CSc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 40079925 HUUGLLLJBVEEHV-UHFFFAOYSA-N 322.433 4.380 0 40 DIAB COc1ccc(C)cc1N[C@@H](C)c1nnc(-c2cccs2)o1 40463467 BRQJOOWOMGEGON-NSHDSACASA-N 315.398 4.288 0 40 DIAB Cc1cc2occ(CC(=O)N[C@H]3CCc4ccccc43)c2cc1C 58157548 UDOFPHQSJOEYFV-IBGZPJMESA-N 319.404 4.396 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(F)c2C)cc1F 71325934 KYEFAGFRLLYTRN-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB Cc1cc([C@H](N)c2ccccc2)cnc1N(C)c1ccccc1 72222312 XITCQCZZTWDLSJ-LJQANCHMSA-N 303.409 4.206 0 40 DIAB CC[C@@H](c1ccccc1)[S@@](=O)Cc1cnn(-c2ccccc2)c1 84734707 QPIGEAFKQINFEQ-WMZHIEFXSA-N 324.449 4.272 0 40 DIAB CC[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 95968443 CXIGGVZEPOLYLM-KXBFYZLASA-N 306.413 4.069 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102789407 HWKFAEVJPVTXFF-ATZDWAIDSA-N 315.457 4.054 0 40 DIAB Cc1ncc([C@@H](C)N[C@H](c2cc(F)ccc2F)C2CC2)c(C)n1 152104411 ZSKAGJQJIUNGLO-ZMZPIMSZSA-N 317.383 4.174 0 40 DIAB O=C(NCCSC1CCCCC1)c1ccc(Cl)cc1F 224526825 ACSQHNXKFYLVGY-UHFFFAOYSA-N 315.841 4.275 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1F 224615941 NGLQVJRBJZODGM-GOEBONIOSA-N 309.425 4.316 0 40 DIAB CC(C)(C)NC(=S)Nc1ccc(Br)c(Cl)c1 225274739 YCTLFWOUBBHPNS-UHFFFAOYSA-N 321.671 4.187 0 40 DIAB CCOC(C)(C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225648300 WVNQDTPTQAWKAZ-UHFFFAOYSA-N 305.418 4.070 0 40 DIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c(Cl)c1 225740870 JFJPSYMWCJHSCB-INIZCTEOSA-N 313.825 4.273 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCC)c(C)c1 225896843 HACMAZICCNDKJA-SFHVURJKSA-N 322.449 4.103 0 40 DIAB COc1ccc(CNC2C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1 524734242 MGRPDMITEUROCW-RTBURBONSA-N 305.462 4.013 0 40 DIAB c1ccc(-c2cncnc2Oc2ccc(-n3cccn3)cc2)cc1 539245556 HHOJLSPGMZWRKY-UHFFFAOYSA-N 314.348 4.122 0 40 DIAB CCCc1ccc(-c2ccc(C(=O)CCC(=O)OC)cc2)cc1 575359077 REHCXMKGEMCMLE-UHFFFAOYSA-N 310.393 4.442 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCCCC1 75318 BVPNPNFRRPQTNG-FQEVSTJZSA-N 305.425 4.447 0 40 DIAB CN(C)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628141 KBGPTRHFMZERIT-WHLIDYPQSA-N 301.817 4.105 0 40 DIAB COc1nc2c(C)cccc2cc1-c1noc(-c2ccccc2)n1 2238430 BSZHMPZNPHGDDD-UHFFFAOYSA-N 317.348 4.269 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 2646017 BTGJSIZQWKLFDR-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 3225595 AZUYWOVNGVYYQS-CQSZACIVSA-N 317.429 4.262 0 40 DIAB CCc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1 3408823 OTTGMZINWAHRON-UHFFFAOYSA-N 306.768 4.092 0 40 DIAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 4543293 ZPLGHHKDFSJMIF-BDJLRTHQSA-N 312.438 4.035 0 40 DIAB Cc1cc(C)c2nc(SCC(=O)NCC(C)C)cc(C)c2c1 6824281 WZHVUXNTBLSADX-UHFFFAOYSA-N 316.470 4.024 0 40 DIAB CC(C)(C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 7407078 HDNACNKWISLXRY-UHFFFAOYSA-N 305.324 4.204 0 40 DIAB CC(=O)Nc1ccc(-c2nc(-c3ccccn3)sc2C)cc1 8225543 SKULRRCJUKJSJP-UHFFFAOYSA-N 309.394 4.139 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncccc2Cl)cc1 8734562 NVXOMMZDIKDJSE-LLVKDONJSA-N 306.818 4.163 0 40 DIAB CC(C)CNc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 10217423 OFPNGZMGVXXJNR-UHFFFAOYSA-N 324.833 4.159 0 40 DIAB O=C(Nc1ccccc1)N1CCC(CCc2ccc(O)cc2)CC1 10383201 NGIBMASNVVKUJL-UHFFFAOYSA-N 324.424 4.269 0 40 DIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1 12756246 GZYHEBNYWUSWOY-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB Cc1cccnc1NC(=O)c1cc2c(s1)CCCCCC2 12793383 AHELTZKYBFVWAU-UHFFFAOYSA-N 300.427 4.363 0 40 DIAB CC(=O)N1c2ccc(-c3cc4c(C)cccn4c3)cc2C[C@H]1C 13227669 HDBYIAXCUMCTAB-CQSZACIVSA-N 304.393 4.212 0 40 DIAB Cc1cc2cccc(Br)c2n1Cc1cccnc1 15042241 DDFRLYSWGOQHCH-UHFFFAOYSA-N 301.187 4.156 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 15186938 KSNBWMDWQXXNON-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB O=c1[nH]c(=S)[nH]c2c1[C@@H](C1CCCCC1)Cc1ccccc1-2 17835699 XLXBITNIOOSXGN-CQSZACIVSA-N 312.438 4.319 0 40 DIAB C[C@H](N[C@@H](C)c1cccnc1)c1ccc(Br)cc1 20127543 JWRVWFSOKODUGN-RYUDHWBXSA-N 305.219 4.256 0 40 DIAB CC(C)CCNC(=O)CSCc1ccc(Cl)c(Cl)c1 22533515 UDEKSHTUZNZFCO-UHFFFAOYSA-N 320.285 4.389 0 40 DIAB O=C(CCc1cccs1)NCC1(c2ccccc2)CCCC1 24762622 TYOXWGKZYYMSCN-UHFFFAOYSA-N 313.466 4.309 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)c1cc(Cl)ccn1 27992945 RRBVVEIXIWUJCL-UHFFFAOYSA-N 310.784 4.160 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Br)o2)c(C)c1 28221315 NUEOJFOBXQNXSH-NSHDSACASA-N 322.202 4.150 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N(C)C1CCC(C)CC1 30123822 OZDMOAHNBNIEDA-UHFFFAOYSA-N 318.442 4.362 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 30869877 QECAIVNFXACDAK-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB OCc1cc(Br)c(Sc2ccc(Cl)cc2)o1 34772812 SGVARELKAWCUIO-UHFFFAOYSA-N 319.607 4.339 0 40 DIAB CNC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1 41154807 NSBMILNMBPCPSM-UHFFFAOYSA-N 324.405 4.161 0 40 DIAB COc1cc(Br)c2oc(-c3ccccc3)nc2c1 45920226 SLCHSCAXRSRFSO-UHFFFAOYSA-N 304.143 4.266 0 40 DIAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CC2)cc1 68750771 RXYMYDMWCSUOHP-UHFFFAOYSA-N 317.772 4.489 0 40 DIAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OC 69830910 LWXSAGSEFLVVCH-UHFFFAOYSA-N 321.804 4.368 0 40 DIAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(Cl)c1 71761479 MXSYPFNHJGNVPX-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB Cc1cccc(C2(NC(=O)c3ccncc3Cl)CCCC2)c1 73074485 OULJJNXHSNNDHC-UHFFFAOYSA-N 314.816 4.243 0 40 DIAB COc1cccc(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 75572611 WYPCZYYMVBHEBU-KRWDZBQOSA-N 317.454 4.203 0 40 DIAB CC(=O)N1CCC(Nc2cccc(CSC(C)C)c2C)CC1 97032781 NCBDVOVRPFVICJ-UHFFFAOYSA-N 320.502 4.059 0 40 DIAB Cc1cc(Cl)ncc1NC(=O)c1cc(C)c2ccccc2n1 135878230 PEHNLFJYPITOBU-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(F)cc1 216364251 FATPWGJJAKSWAP-IZZDOVSWSA-N 303.764 4.151 0 40 DIAB CCOC(=O)c1ccc(OC)c(OCc2ccccc2Cl)c1 216804981 AYKTVSAGICJDNJ-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCCc2ccccc21 219586442 WERFAOFFWWKZEZ-IBGZPJMESA-N 309.409 4.132 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 224937223 XQGGHFWKQUSBBM-UHFFFAOYSA-N 308.425 4.030 0 40 DIAB Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)c(Cl)c1 225007684 HHTQDAZHMDQUPG-UHFFFAOYSA-N 301.817 4.400 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccccc2)o1 352769 HVQKGPMUYJUWJI-LGMDPLHJSA-N 315.328 4.291 0 40 DIAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(F)cc1 564694 DTHDEEOQLYQDQO-UHFFFAOYSA-N 301.704 4.247 0 40 DIAB COc1cccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c1 796205 PETIECJJQITDOU-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB C[C@H]1CCCc2sc3ncn4nc(-c5ccco5)nc4c3c21 2437406 JNYMBOKKOSOUPQ-VIFPVBQESA-N 310.382 4.039 0 40 DIAB CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 3402308 AVQIRAOGFMMFHD-UHFFFAOYSA-N 320.421 4.446 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1 3553860 PTAYCWKYYCJXMJ-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 3554348 DPMOEMHUFHIHTM-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB O=C(O)c1ccccc1-c1ccccc1C(=O)NC1CCCCC1 5772194 JZNVFRXZZFDDIA-UHFFFAOYSA-N 323.392 4.114 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5866308 YQALEFYKKHPJOF-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6899355 VCAAUMLCWKMYET-RWPGPIAYSA-N 311.347 4.414 0 40 DIAB Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)N3CCCC3)cc2)cc1 7243377 WAJYFHANSZNCQG-INIZCTEOSA-N 324.424 4.210 0 40 DIAB Cc1cc(-n2c(C)cc(-c3csc(NC4CC4)n3)c2C)no1 7274689 DMABUZALBIFWLN-UHFFFAOYSA-N 314.414 4.088 0 40 DIAB CC(C)C(=O)Nc1ccc(Nc2ncnc3sccc23)cc1 9220544 NLOGQKBZVFECPQ-UHFFFAOYSA-N 312.398 4.029 0 40 DIAB Cc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)c(C)c1 10715424 DTOVUPCILNFHFI-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB Fc1cccc(-c2nnc(-c3ccco3)c(-c3ccco3)n2)c1 12188479 CUEITBAPSBMSCH-UHFFFAOYSA-N 307.284 4.198 0 40 DIAB O=C(OCc1cccs1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12621649 NNQQGHIOSBWNMN-RJAIZQQDSA-N 310.846 4.369 0 40 DIAB Cc1ccc(-c2noc(-c3occc3Br)n2)cc1 12655185 UOLXKLAYSIEGGT-UHFFFAOYSA-N 305.131 4.068 0 40 DIAB O=C(CCc1nc2ccccc2s1)NC1CCCCCCC1 14247739 FZXRVXSWOOXOIJ-UHFFFAOYSA-N 316.470 4.458 0 40 DIAB Cc1nc(CNC(=O)c2sc3ccccc3c2Cl)cs1 15832300 ZJPIRGLKLBQSOJ-UHFFFAOYSA-N 322.842 4.250 0 40 DIAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccccc1 17334141 SNDQOZQNNMFCIQ-UHFFFAOYSA-N 305.377 4.121 0 40 DIAB Fc1ccc(-c2cnc(SCc3nccn3C(F)F)[nH]2)cc1 24718740 LTBLRDHGWDXARX-UHFFFAOYSA-N 324.331 4.100 0 40 DIAB Oc1ccc(-c2csc(Nc3ccc(F)cc3F)n2)c(O)c1 25061639 XNERUXZCDWJLKB-UHFFFAOYSA-N 320.320 4.243 0 40 DIAB CN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26294870 XRHXWACOGJAHNP-VXGBXAGGSA-N 320.380 4.011 0 40 DIAB C[C@H]1c2cccn2CCN1Cc1csc(Nc2ccccc2)n1 28963212 FIUVKDZWHZEHRW-AWEZNQCLSA-N 324.453 4.265 0 40 DIAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCCCCC2)cc1 32905326 XBNSZXVVJYTTDC-UHFFFAOYSA-N 321.420 4.242 0 40 DIAB CC(C)(C)c1nc2cc(NC(=O)/C=C/c3cccnc3)ccc2o1 33216146 AQHVUTOOIPYJNM-RMKNXTFCSA-N 321.380 4.172 0 40 DIAB CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 40049891 JNKMKBGVDPXLPW-HXUWFJFHSA-N 322.452 4.368 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)Nc1ccc(C)c(C)c1 51354149 JJRBKNJVUJIBGX-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCc2ccccc21 67478999 TVCCMCFNXWJMJZ-CQSZACIVSA-N 314.454 4.200 0 40 DIAB FC(F)Oc1ccccc1-c1noc(-c2ccc(Cl)nc2)n1 89262802 TYLUPBAHJJTPCK-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1nccs1 95409954 FNYXSIMXHPBKSB-WCQYABFASA-N 319.430 4.122 0 40 DIAB CCN(CC)C(=O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccccc1 98081233 HPSNYZOEAIUWIX-FQEVSTJZSA-N 322.452 4.197 0 40 DIAB CCc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)c1 101084780 UNAAGLRZOSJFIP-APWZRJJASA-N 308.381 4.019 0 40 DIAB C[C@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 118924656 XHGXHTGXZKYMDE-RFMGOVQKSA-N 304.474 4.205 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 138183919 YFEYXLOOTCLWQB-JZGRTCEGSA-N 323.436 4.302 0 40 DIAB Cc1cc(C)c(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c(C)c1 225135986 MUXFFPXMFKACGE-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OCC(C)C 225591041 MAVRSJTWOKUIMX-UHFFFAOYSA-N 324.635 4.339 0 40 DIAB CC(C)N1CCC[C@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257338835 YZCVBYWVPQGCKI-SFHVURJKSA-N 324.424 4.035 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc(C)c3)N21 260778115 RAINCGWTVZYUAZ-NXHRZFHOSA-N 323.465 4.369 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1ccccc1 408576165 SFJDRXDXWPLMBX-JKSUJKDBSA-N 313.466 4.305 0 40 DIAB c1ccc2c(CN3CCC[C@@H](c4nccs4)C3)ccnc2c1 1848355553 YMJWAXVNLUIBAR-OAHLLOKOSA-N 309.438 4.071 0 40 DIAB c1cc(-c2csnn2)ccc1-c1ccc(-c2csnn2)cc1 383873 IVJROAXRZMFFEK-UHFFFAOYSA-N 322.418 4.391 0 40 DIAB biogenic CC1(C)C=Cc2c(ccc3c2OC[C@H](c2ccc(O)cc2O)C3)O1 899797 LBQIJVLKGVZRIW-CYBMUJFWSA-N 324.376 4.001 0 40 DIAB endogenous,in-man Cc1ccccc1NC(=O)Oc1ccc(-c2csnn2)cc1 1387533 UHEBTHUXJRMSIM-UHFFFAOYSA-N 311.366 4.124 0 40 DIAB Clc1ccc(-c2nnc3c4ccccc4ncn23)cc1Cl 1400136 PVBVBMGFLAKKLQ-UHFFFAOYSA-N 315.163 4.251 0 40 DIAB CCC(=O)[C@@H](C)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1 2074651 PGMKJVNNBZNCIM-DNVCBOLYSA-N 309.409 4.115 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1ccccc1C(F)(F)F 2514631 DPAZWOXISUPYIY-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)s1 3166553 ZBXBOGDVBUZUTO-VIFPVBQESA-N 322.227 4.102 0 40 DIAB Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1 3329769 MWYJTJSJYKOZSD-UHFFFAOYSA-N 317.439 4.023 0 40 DIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)o1 3363695 HXJXGDIZRGMEAP-BCPZQOPPSA-N 318.756 4.069 0 40 DIAB CCCOc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1 5785299 YKWWEXFRGZYKLF-ZDUSSCGKSA-N 314.381 4.365 0 40 DIAB O=C(Cc1c(F)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 6336822 ZODUKZPPRRVBIT-UHFFFAOYSA-N 321.823 4.107 0 40 DIAB Fc1ccccc1C1=Nn2cc(-c3ccccc3)nc2SC1 6650919 SWMSWCNBCDAQOO-UHFFFAOYSA-N 309.369 4.047 0 40 DIAB Cc1cc(-n2c(C)cc(CN[C@@H](C)c3cccs3)c2C)no1 6651111 ISNDDXXZGCOJBA-ZDUSSCGKSA-N 315.442 4.303 0 40 DIAB COc1ccc(N(Cc2cccs2)C(=O)c2ccco2)cc1 8586673 JXXWSIQBYMVUJY-UHFFFAOYSA-N 313.378 4.197 0 40 DIAB Cc1ccnc(NC(=O)c2ccc(C3SCCS3)cc2)c1 8720325 IFXAQKHHVBAFHP-UHFFFAOYSA-N 316.451 4.121 0 40 DIAB CCc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 9064356 WUHJGTAZVKULHR-UHFFFAOYSA-N 308.425 4.492 0 40 DIAB Cc1nc(CSCCC(=O)Nc2ccccc2C)cs1 9065668 JSHUMPKKPJYDII-UHFFFAOYSA-N 306.456 4.022 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 9194891 LKCXXATZLUHUEK-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)s2)Nc2ccccc21 10950936 CKDMQOUAKJMMLO-KRWDZBQOSA-N 324.380 4.408 0 40 DIAB Fc1cc(Br)ccc1Oc1ncnc2ccccc12 14166577 TWNYDNWSCARJAY-UHFFFAOYSA-N 319.133 4.324 0 40 DIAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3O)o2)cc1 14704295 AOOUHPHIDNOTNQ-UHFFFAOYSA-N 321.332 4.107 0 40 DIAB COc1cccc(CNC(=O)c2ccccc2-c2ccccc2)c1 15941055 VCJOPDCSGNIGEG-UHFFFAOYSA-N 317.388 4.292 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 16237518 IQBFQDKKTVTVCK-OPQQBVKSSA-N 314.376 4.180 0 40 DIAB CC(C)CNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 25527969 GIDFKPNLKRXFRV-UONOGXRCSA-N 316.470 4.342 0 40 DIAB C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 26294445 QURZUVGLYNGKTO-YUTCNCBUSA-N 314.351 4.168 0 40 DIAB COc1ccc(S[C@H](C)c2nc(-c3ccco3)no2)cc1 29739664 AYBCWSUYTTYIEM-SNVBAGLBSA-N 302.355 4.192 0 40 DIAB C[C@@H](Sc1ccc(F)cc1F)c1nc(-c2ccco2)no1 29740040 CUMGICXSPCNKOI-MRVPVSSYSA-N 308.309 4.461 0 40 DIAB CC[C@@](C)(Nc1ccc(C)cc1)c1nnnn1-c1ccc(C)cc1 35622467 PWUIIFDJFXWOFU-LJQANCHMSA-N 321.428 4.016 0 40 DIAB Cc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39748019 XCEDNBBGGXNQMF-UHFFFAOYSA-N 322.452 4.154 0 40 DIAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)c(C)c1 59472441 VLSONTZSLWYEAR-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB CC(C)CCOc1cccc(NC(=O)OCC(F)(F)F)c1 69383542 MPYSFRXKONUEQT-UHFFFAOYSA-N 305.296 4.222 0 40 DIAB Cc1cccc(C)c1NC(=O)CN(C)CCC1CCCCC1 78729261 CJJVZLXEDVSBNK-UHFFFAOYSA-N 302.462 4.144 0 40 DIAB CC(C)N1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1 79030441 CVJPPNVGQUIBOP-UHFFFAOYSA-N 311.425 4.171 0 40 DIAB COc1csc(C(=O)N(C)c2c(Cl)cccc2Cl)c1 89364945 YDPGAIOENGHHGE-UHFFFAOYSA-N 316.209 4.340 0 40 DIAB O=C(C[C@@H]1CCCN1Cc1ccc(Cl)o1)c1ccc(F)cc1 97230575 DKMJEPDVHDWHSH-AWEZNQCLSA-N 321.779 4.310 0 40 DIAB CN1[C@@H](c2ccccc2)[C@@H]2CCC[C@@H]([C@@H]2O)[C@@H]1c1ccccc1 100745668 VOVYUVZGDORCCG-HGJUEJDCSA-N 307.437 4.192 0 40 DIAB Cc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1Cl 216955095 OILKDJLVQAWYIV-UHFFFAOYSA-N 311.768 4.413 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 225322087 IQBFQDKKTVTVCK-GIPNMCIBSA-N 314.376 4.180 0 40 DIAB CCCCOc1ncc(NC(=O)[C@](C)(CCC)OCC)cc1C 225895393 LDMMSPQSCSVWLO-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCCOCCCn1c(=S)n(C(C)=O)c2ccccc21 255187288 CNNCDKVNBWEZEO-UHFFFAOYSA-N 306.431 4.039 0 40 DIAB O=C(/C=C/c1cccs1)NC1(c2cccs2)CCCC1 390828484 RGXZPTSEIKGDFB-BQYQJAHWSA-N 303.452 4.409 0 40 DIAB O=C(NCc1nc(C2CCCCC2)cs1)[C@H]1CC=CCC1 390830865 NYROFSJTMPIOMU-AWEZNQCLSA-N 304.459 4.163 0 40 DIAB Cc1coc(C(=O)N(Cc2ccccc2)c2ccncc2)c1C 585083681 ICKUNXIQPHAXLW-UHFFFAOYSA-N 306.365 4.138 0 40 DIAB CCc1occc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 684657493 NWBTVGWAUJGPTA-INIZCTEOSA-N 323.396 4.004 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 38422 VKUPLRSOXZKKPR-JTQLQIEISA-N 310.180 4.399 0 40 DIAB CCOc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1 116742 CGMAUEOLPMFHOB-UHFFFAOYSA-N 314.312 4.432 0 40 DIAB O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1cccs1 363945 QFLLJCWFLUCTLM-UHFFFAOYSA-N 323.373 4.220 0 40 DIAB Cc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c3c(sc2n1)CCCC3 753852 QCJPRMJXDIUYRI-RYUDHWBXSA-N 315.486 4.361 0 40 DIAB c1ccc(Cn2ncc3c(NC4CCCCCC4)ncnc32)cc1 2587813 XVDUIDVNDGWORX-UHFFFAOYSA-N 321.428 4.009 0 40 DIAB CC[C@@]1(c2ccc(Cl)cc2)N=C(S)N(c2ccccc2)N1 2589583 KMUFVCVGOAAKNE-MRXNPFEDSA-N 317.845 4.213 0 40 DIAB CSc1ncc(Nc2nc(-c3ccccc3)cs2)cn1 3219730 GNYCKVTUXTWHSM-UHFFFAOYSA-N 300.412 4.066 0 40 DIAB c1ccc2c(COc3ccc(-c4nnco4)cc3)cccc2c1 5429317 LMTMUMPBPYDXPF-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB CCCCc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 5598711 RMHBJQPUGGHEMR-UHFFFAOYSA-N 317.454 4.392 0 40 DIAB CCCCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1 6264781 ZRVNYDZCHVOBFQ-UHFFFAOYSA-N 309.369 4.150 0 40 DIAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)c(C)c1 6340386 TZVRHTJNLHPSDN-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB CC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 6710097 YIHXTVJXAUUMHQ-UHFFFAOYSA-N 315.760 4.138 0 40 DIAB COc1cccc(NCc2n[nH]c(=S)n2C2CCCCC2)c1 6823363 YRMGQODEVIFQOJ-UHFFFAOYSA-N 318.446 4.067 0 40 DIAB CC(C)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 8157889 QKDXYXNPKUTAIC-VQHVLOKHSA-N 309.365 4.191 0 40 DIAB Cc1ccc2oc(C(=O)Nc3onc4c3CCCC4)c(C)c2c1 11915677 NUZVAEJKIMAUSX-UHFFFAOYSA-N 310.353 4.169 0 40 DIAB C/C1=C/CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2/C=C(/C)CC1 13136369 BYFVAWVWHDPHGP-ZYWAFWPCSA-N 317.473 4.097 0 40 DIAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2)n1 15637335 XDZIIIHXPJHRKT-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CCCn1nc(C)c2c(C(=O)Nc3ccccc3C)cc(C)nc21 17056112 LHUAUVZBJRELCX-UHFFFAOYSA-N 322.412 4.019 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NCc2ccc(Cl)s2)c1 20012749 QGLFSGWMWNENAR-JTQLQIEISA-N 308.834 4.211 0 40 DIAB CC(=O)c1cccc(N[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1 25051076 MFWPPOFDBBFYKS-LBPRGKRZSA-N 306.365 4.054 0 40 DIAB CCC(CC)C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27741432 ZQCUJOPBAIQSMF-INIZCTEOSA-N 322.518 4.218 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc2c3c(cccc13)CC2 28651953 FOKKVNJUDNEHHD-RDTXWAMCSA-N 322.452 4.045 0 40 DIAB Cc1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)nc1 32826556 QGCHLIZVCKXPIS-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)cc2)c1 40868541 PNAJTFAHIFKGSZ-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=C(Nc1ccccc1OC(F)F)N(Cc1ccco1)C1CC1 65607255 YLCLXQZFXPFIJY-UHFFFAOYSA-N 322.311 4.078 0 40 DIAB O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1ccc(F)cc1 72313219 PJQYGPDOXISMKX-SFHVURJKSA-N 315.363 4.261 0 40 DIAB CCCn1c(SCc2ccccn2)nnc1-c1cccc(C)c1 78243606 WRUGVSFECPDCCS-UHFFFAOYSA-N 324.453 4.351 0 40 DIAB O=C(Nc1ccc(NCc2ccco2)cc1)N1CCCCCC1 89797851 WVCSUBMDCNYDHX-UHFFFAOYSA-N 313.401 4.300 0 40 DIAB CCCc1nc(CNC2(c3nccs3)CCCC2)cs1 89960479 VIACJFBZMGCLLE-UHFFFAOYSA-N 307.488 4.111 0 40 DIAB Clc1nn(Cc2coc(-c3cccs3)n2)c2ccccc12 95455651 BVBCOFVFUYGMNZ-UHFFFAOYSA-N 315.785 4.455 0 40 DIAB CC[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 95962277 JGSYREFVTCIGOK-CQSZACIVSA-N 305.328 4.292 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@@H]1CCSc2ccccc21 97159301 GNDJXACZESXLSU-CQSZACIVSA-N 301.459 4.034 0 40 DIAB O=C(O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 98063971 HPZMCZPAIQTDMC-UHFFFAOYSA-N 301.523 4.061 0 40 DIAB CCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21 100294441 VIUNESMLZNZSGV-UHFFFAOYSA-N 307.393 4.098 0 40 DIAB aggregator O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@H]2C[C@@H]1CCCC[C@]13O4 100601161 GMYSGDXPXKUMOX-UZEMSBSCSA-N 318.457 4.131 0 40 DIAB O=C(NCc1ccco1)N(C1CC1)[C@H]1CCCc2ccccc21 104767303 OPXRYFUKFINDGH-SFHVURJKSA-N 310.397 4.031 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 109037768 ASXIXCMTCZKFRD-GBESFXJTSA-N 315.457 4.054 0 40 DIAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)cc1 197301087 MDSNMLSSBNIJMN-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccccc2)c(Cl)c1 216885663 WJIUVTBKEKBPFJ-CSKARUKUSA-N 302.757 4.105 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)NCC1CCCCC1 223407282 CUWZCCXXFZPFQY-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB O=C(O)[C@H](Cc1ccccc1F)Sc1ccc(Cl)cc1 225052789 AKXJHNIRZOCVEA-AWEZNQCLSA-N 310.777 4.267 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1C 225265307 IPRWKSSDGGONGR-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CCc1cc(Br)cc(CC)c1NC(=O)C(F)(F)F 226098175 LVXVYMJWNDZMCJ-UHFFFAOYSA-N 324.140 4.075 0 40 DIAB O=[S@](Cc1ccccc1Oc1ccccc1)c1cccc(O)c1 541761934 CHTRDXSIMQSCCR-HSZRJFAPSA-N 324.401 4.492 0 40 DIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 420345 RFCATJHADQUKLI-UHFFFAOYSA-N 302.786 4.191 0 40 DIAB C[C@@H]1CCCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 550917 PDICMQILBCGFPZ-SNVBAGLBSA-N 300.793 4.001 0 40 DIAB CCN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O 1134981 KLVCUSLQTWILPW-POHAHGRESA-N 302.182 4.050 0 40 DIAB CC(C)(C)c1cc(C(C)(C)C)c(O)c(Br)c1O 1570571 CLMSSJLNDFZYET-UHFFFAOYSA-N 301.224 4.455 0 40 DIAB O=C(c1ccccc1Cl)c1ccc2ccccc2c1C(=O)O 1599925 FFXZQOKTECJTRD-UHFFFAOYSA-N 310.736 4.422 0 40 DIAB COc1cc(OC)cc(C(=O)Nc2ccc3sccc3c2)c1 3354587 HBTBMDNUWTXJLK-UHFFFAOYSA-N 313.378 4.171 0 40 DIAB Cc1cccc(OCCCC(=O)Nc2ccc(C)c(F)c2)c1 3408817 XXDOVULWJNTRLL-UHFFFAOYSA-N 301.361 4.240 0 40 DIAB Cc1csc(SCC(=O)c2c(C)[nH]c3ccccc23)n1 3446548 ADMAPHDAQFYJEO-UHFFFAOYSA-N 302.424 4.216 0 40 DIAB O[C@]1(c2ccccc2)CCN(Cc2ccccc2)[C@H]2CCCC[C@@H]21 5008147 BIWOHGQOCMGKSL-FKBYEOEOSA-N 321.464 4.339 0 40 DIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@H](c4ccc5ccccc5c43)[C@H]2O1 5062766 CALDUTDXAKUVKJ-IYWMVGAKSA-N 314.340 4.335 0 40 DIAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(N)=O)CCCC3 6507875 UYVDBPCZVAQZES-UHFFFAOYSA-N 322.433 4.249 0 40 DIAB O=C(CCSCc1ccccc1)Nc1ccc(F)cc1F 7685430 VBCBFQTZRPKJDA-UHFFFAOYSA-N 307.365 4.227 0 40 DIAB Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc(F)cc12 7952024 PRWDHKRDYFELCD-UHFFFAOYSA-N 317.747 4.464 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCCSC1CCCCC1 10336360 BYWGYMBPBDCCOW-UHFFFAOYSA-N 311.878 4.065 0 40 DIAB COc1cccc(NC(=O)c2occc2COc2ccccc2)c1 12618477 FHARKJFQKPLXIJ-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB CCOc1cc2c(cc1NC(=O)c1sccc1C)O[C@@H](C)C2 13003575 HOKQUTBRWISTHW-NSHDSACASA-N 317.410 4.031 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)SCc1ccccc1 13670527 WSBZSNCRYMYDFS-LSDHHAIUSA-N 311.450 4.286 0 40 DIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N)cc1C 19736346 OCXLAAZRBNWRNU-CYBMUJFWSA-N 312.413 4.108 0 40 DIAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 20482220 RUJVJCHBMXGRJJ-KRWDZBQOSA-N 317.816 4.295 0 40 DIAB CC[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccc(OC)cc1 25514448 IIUSTFVMMJXTGK-SFHVURJKSA-N 322.408 4.068 0 40 DIAB Cc1ccccc1Cn1cc(NC(=O)Nc2cccc(F)c2)cn1 27920335 ZXVURTSOGMXKSP-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB CCc1nc(Nc2cccc3ccccc23)c2c(n1)c(C)nn2C 32650736 LCABHAVZAPYHLE-UHFFFAOYSA-N 317.396 4.131 0 40 DIAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCc2ccccc21 32771100 MOXZMZYCGVXMDR-LJQANCHMSA-N 322.383 4.457 0 40 DIAB Cc1cccc2c1N(C(=O)c1ccc(Cl)nc1Cl)CCC2 60098770 ZLCNIXXHCHARFD-UHFFFAOYSA-N 321.207 4.290 0 40 DIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](C(F)(F)F)S1 71286542 CQGXBFGKHRPENN-VIFPVBQESA-N 305.325 4.104 0 40 DIAB CCc1nc(CNCc2cc(Cl)cc3cccnc23)cs1 89289953 OTBWOGJGMVGAJC-UHFFFAOYSA-N 317.845 4.197 0 40 DIAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccc(Cl)cc1Cl 95095906 COTREOPTYUFECN-OIBJUYFYSA-N 301.091 4.012 0 40 DIAB CCOCC1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 95959023 LNLKYZMCKHYEMN-RDJZCZTQSA-N 309.494 4.114 0 40 DIAB Cc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 104709377 BTLFMPNCGXWJLV-UWWQBHOKSA-N 303.446 4.411 0 40 DIAB Nc1c(-c2ccc(Cl)c(Cl)c2)ncn1Cc1ccccc1 106442408 HFUHUGRDWPZSPJ-UHFFFAOYSA-N 318.207 4.487 0 40 DIAB in-vitro CN(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 222656894 FGKHMRIYEVDUPR-UHFFFAOYSA-N 303.405 4.431 0 40 DIAB CCOc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1C 225496032 SWYDZWQLMQASIQ-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB COc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865375 KWZMAILICGMDJC-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260619431 LPSXAOQQAAQIQS-UKRRQHHQSA-N 319.445 4.129 0 40 DIAB c1ccc([C@@H]2CCOC3(CCN(Cc4ccncc4)CC3)C2)cc1 2037769676 JLEBLXIDWGFOIZ-HXUWFJFHSA-N 322.452 4.010 0 40 DIAB Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1 2179521 KOSUUJNKQCCUBR-UHFFFAOYSA-N 314.772 4.402 0 40 DIAB Sc1nc(-c2ccccc2)cc2cc(-c3ccccc3)nn12 3094746 LBJYNIBFWZFPRX-UHFFFAOYSA-N 303.390 4.352 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1Cl 3218210 XADFQTPLLBDSBM-GFCCVEGCSA-N 317.841 4.410 0 40 DIAB CCOc1ccc(NC(=S)N(CC)Cc2ccccc2)cc1 3326967 QBKDYPQAIZXQSW-UHFFFAOYSA-N 314.454 4.304 0 40 DIAB O=C(Nc1cccc2ncccc12)C12CC3CC(CC(C3)C1)C2 4434617 VYTUMRULSXNZPP-UHFFFAOYSA-N 306.409 4.390 0 40 DIAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 6127227 JEIMHNAPVBKDOO-BJMVGYQFSA-N 317.772 4.009 0 40 DIAB CCc1noc(C)c1C(=O)Nc1ccc(-c2ccccc2)cc1 6653819 ZDISNZMHSWIIID-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(Br)c1 6942477 FWXCHYYMAWDRCF-UHFFFAOYSA-N 316.198 4.190 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1 7399870 JOERLKUINXTYFN-OAHLLOKOSA-N 311.425 4.068 0 40 DIAB COc1cccc(CNCc2ccco2)c1OCc1ccccc1 7523598 SOOYRQWTPYLIRA-UHFFFAOYSA-N 323.392 4.157 0 40 DIAB COc1ccc(C)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 7919768 JVISFTCIOMGQTG-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB CCCc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 8392217 UNEJXIREPOQGPW-UHFFFAOYSA-N 313.213 4.112 0 40 DIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1F 8734538 WWXOMTQSGHBBKC-UHFFFAOYSA-N 310.328 4.052 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cccc2)cc1 8745014 FBRQYPCPQZJHGV-AWEZNQCLSA-N 322.433 4.298 0 40 DIAB C[C@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccn1 8746869 VLTCRHADLZCIQL-AWEZNQCLSA-N 314.388 4.144 0 40 DIAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccccc1Cl 11804252 NOPCIDOZPNSNPX-VQHVLOKHSA-N 318.756 4.025 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)c1 12771481 NQRQKBPSXTWQHJ-HNNXBMFYSA-N 323.392 4.306 0 40 DIAB CCC[C@@H](C)NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 12992329 LKUIAVRTRITYBA-CQSZACIVSA-N 315.413 4.193 0 40 DIAB Cc1ccc(OCCCC(=O)NCCC2=CCCCC2)cc1 14400870 PRNUUCCQQSMFRH-UHFFFAOYSA-N 301.430 4.161 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(F)cc2)cc1 19931822 JWCQMRJDXSAIPV-GOSISDBHSA-N 315.388 4.352 0 40 DIAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCc2ccccc21 21555722 CCYUDXHKXSDSKF-UHFFFAOYSA-N 314.388 4.315 0 40 DIAB Cc1ccc(NC(=O)CCc2ccsc2)c(Br)c1 21890073 MOWPUXLVNIJUIY-UHFFFAOYSA-N 324.243 4.390 0 40 DIAB Cc1cc(NC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)no1 24535396 GPGUVIWNJOZECP-UHFFFAOYSA-N 313.401 4.303 0 40 DIAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccccc2)c(C)s1 28356200 IZTFLFJPXOQRNR-OLZOCXBDSA-N 302.443 4.486 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 30861502 LUOIUCBMHIZSDS-KBPBESRZSA-N 317.816 4.293 0 40 DIAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(Cl)cc1 32914019 SXSHMJXVOUWCRZ-UONOGXRCSA-N 317.816 4.123 0 40 DIAB Cc1cc(C)cc(NC(=O)NCCCCN2CCCC[C@H]2C)c1 45958326 MQOXZVNMMDVLES-QGZVFWFLSA-N 317.477 4.080 0 40 DIAB COc1ccc(OCCCC(=O)NC(C)(C)CC(C)(C)C)cc1 60622257 ITTIXPGSTYFEBN-UHFFFAOYSA-N 321.461 4.185 0 40 DIAB S=C(SCc1csc(C2CCCC2)n1)N1CCCC1 64025431 FRERSRJHLJETNK-UHFFFAOYSA-N 312.529 4.415 0 40 DIAB Cc1ccnn1-c1cccc(NC(=O)NC2CCCCCC2)c1 64356977 UBGDZTNBBMZUIN-UHFFFAOYSA-N 312.417 4.025 0 40 DIAB CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 65402435 LFSPLXNCNXHOHZ-UHFFFAOYSA-N 300.836 4.053 0 40 DIAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(CC)cc3)nc2c1 85398381 WQNSVJMOVVCBBS-UHFFFAOYSA-N 308.381 4.359 0 40 DIAB Cc1c(Br)cccc1-c1nc2cc(N)ccc2o1 88441354 GFWQHHLDHBNXPX-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 90649944 JGMOKGBVKVMRFX-MKUJHJDCSA-N 312.453 4.500 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 96183921 MFVNFASIDRQZKQ-STQMWFEESA-N 317.360 4.329 0 40 DIAB CC(C)Oc1c(Cl)cccc1NC(=O)CCc1ccncc1 96411243 APNPEWCGWJPPCG-UHFFFAOYSA-N 318.804 4.094 0 40 DIAB C[C@@H](c1ccccc1)[S@](=O)c1ccccc1Br 97002332 RCZCCBJFGUBTNS-APPDUMDISA-N 309.228 4.318 0 40 DIAB CCS[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1 118247536 XXNXGFNAEVNSQA-QGZVFWFLSA-N 300.379 4.110 0 40 DIAB CCCCc1ccc(Nc2nc(CC(=O)OCC)cs2)cc1 223448955 IONRBXPIQBMHPQ-UHFFFAOYSA-N 318.442 4.335 0 40 DIAB CCCC[C@H](C)OC(=O)c1snnc1-c1ccc(F)cc1 223841216 BHYOXWHVHUPUGB-JTQLQIEISA-N 308.378 4.080 0 40 DIAB O=C(CSCc1ccc(Cl)cc1F)N1CCCCCC1 224541563 VREDOVJDZLMNAU-UHFFFAOYSA-N 315.841 4.115 0 40 DIAB Cc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1C 225033524 ZWVZJUZGERCFJM-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1Cl 225614397 BNANPJUBWKHRPO-INIZCTEOSA-N 313.825 4.273 0 40 DIAB Fc1ccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)cc1 226308343 QMVWIYDOLPQITM-UHFFFAOYSA-N 321.400 4.438 0 40 DIAB CCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226763325 WUMPUBKSSZGGGR-UHFFFAOYSA-N 318.804 4.272 0 40 DIAB Fc1ccc(I)c2scc(Cl)c12 228941183 LFZNMUFKJVWMDD-UHFFFAOYSA-N 312.534 4.298 0 40 DIAB COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)Nc2ccccc21 409110227 UPIPSZZSYARBQU-GHXNOFRVSA-N 320.175 4.495 0 40 DIAB C[C@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(N)c2n1 685938263 NWMKUYZRONQDHI-JTQLQIEISA-N 309.335 4.215 0 40 DIAB Cc1ccccc1OCC(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001541 ZCCDOJIQYYHIEX-ROUUACIJSA-N 311.425 4.008 0 40 DIAB C1CCCCCC2(CCCCC1)OC[C@H](CN1CCCC1)O2 194386 MSSAIEVACVNALM-SFHVURJKSA-N 309.494 4.499 0 40 DIAB Cc1cccc(OC(=O)CNc2cc(Cl)ccc2Cl)c1 281052 ONTUEDXMHKWQNX-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB O=C(c1ccccc1)c1ccc(OC(=O)c2cccs2)cc1 344570 PVRXOZGPTQZUHC-UHFFFAOYSA-N 308.358 4.198 0 40 DIAB COc1ccccc1NC(=O)c1csc2c1CC[C@H](C)C2 539278 QYNZXQXMPQZCLK-NSHDSACASA-N 301.411 4.134 0 40 DIAB O=C(OCc1cccc(Cl)c1)c1ccc2ncsc2c1 4546795 JHIYTYHJDCKYLG-UHFFFAOYSA-N 303.770 4.307 0 40 DIAB c1coc(-c2nnc(CSc3nc4ccccc4s3)o2)c1 5629098 UGAWGLXQORZEJP-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1F 5998255 LSMKNDYTYPFIJH-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB O=C(Nc1ccc(F)c(F)c1F)c1cnc(Cl)c(Cl)c1 6376365 LCPUBIVRZFOQPA-UHFFFAOYSA-N 321.085 4.058 0 40 DIAB Cc1cccc(C(=O)Nc2ccccc2Br)c1C 6508227 NAOJBGCVMIXSBV-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1csc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1 7195886 XEYYUDKCMJWEDA-UHFFFAOYSA-N 317.435 4.467 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1cc2c(s1)CCCC2 7608622 SBKKFWVEMHGQAZ-UHFFFAOYSA-N 305.830 4.210 0 40 DIAB CCOc1cc(/C=C/C(=O)Nc2ccccc2C)ccc1OC 7609762 FOIUANAWEQSWIK-ZRDIBKRKSA-N 311.381 4.054 0 40 DIAB COc1ccccc1NC(=O)c1c(C)nc2ccccc2c1C 8548739 YMFGPBPRJVQVGO-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB COc1cccc(NC(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1 11561989 QLMGEZQOQXETNS-GOSISDBHSA-N 310.397 4.276 0 40 DIAB Cc1ncc(CN2C[C@@H](c3ccccc3)C3(CCCCC3)C2)n1C 12088118 AGVUDOWUQDTDMZ-FQEVSTJZSA-N 323.484 4.278 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)cc1 12996387 SAHHQCQNXMUQDG-BNCSFYMNSA-N 321.420 4.381 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2ccc(F)cc21 13001389 QBSOZADVDLUSPG-CQSZACIVSA-N 320.364 4.323 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1 15432222 WHAVDNJDBYNYFI-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cn(C)c2ccccc12 25109443 NWVDRWDFASHLGO-CQSZACIVSA-N 322.408 4.020 0 40 DIAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27580184 PJYUQOVKTAZRIR-UHFFFAOYSA-N 320.392 4.197 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)CCc3ccsc3)c2)n1 31121691 QNTDJNKLOJKRKM-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38835250 XYTGMXVEBILDJI-LJQANCHMSA-N 322.452 4.100 0 40 DIAB COCc1ccccc1NC(=O)C1(c2ccc(F)cc2)CCC1 44549960 STRITDITBDGBTD-UHFFFAOYSA-N 313.372 4.033 0 40 DIAB CN(Cc1ccccc1F)C(=O)c1cccc(C(F)(F)F)c1 49929575 QDJAMVJBCQEJSE-UHFFFAOYSA-N 311.278 4.117 0 40 DIAB O=C([C@H]1CC=CCC1)N(Cc1ccsc1)Cc1ccco1 75170174 NLXXMDAVKRWAGQ-HNNXBMFYSA-N 301.411 4.226 0 40 DIAB CC(C)[C@@H](C)S(=O)(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 78909026 GHHCFQOMVAIPOD-MNOVXSKESA-N 308.365 4.226 0 40 DIAB Fc1cc(F)cc(COc2cc(F)ccc2Br)c1 95915301 BHWGPWAMTHQEOO-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H](Cn2ccc3ccccc32)C1 96345928 WHJDOLJERWXEHS-HNNXBMFYSA-N 314.429 4.288 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C(F)(F)C(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118929315 XTSQMOANKLUKLD-GGOHVJMFSA-N 324.411 4.124 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2ccccc2)ccc1Cl 222839576 PSWBYOOEAFSCQM-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)Cc2cccc(Cl)c2)c1 224525293 FWMRQFUDKBAUMS-CQSZACIVSA-N 301.817 4.377 0 40 DIAB CC(C)Oc1ccc(NC(=O)CCCc2nccs2)c(F)c1 225802588 YAEFGWIWKBUQAZ-UHFFFAOYSA-N 322.405 4.031 0 40 DIAB C[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257280884 OMURAVGPIUXVNL-HNNXBMFYSA-N 309.409 4.284 0 40 DIAB CN1C=CC=C/C1=C/C=C1\C=Nc2ccc(Br)cc21 334139384 NZVQHCKHTZVNNJ-CVQDXMMSSA-N 313.198 4.448 0 40 DIAB Cc1nnc(SCc2ccccc2F)n1-c1ccc(F)cc1 409103688 FASJKHYYUCJJKR-UHFFFAOYSA-N 317.364 4.146 0 40 DIAB CCc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1 564369050 KWJNRRVCGQOFBJ-UHFFFAOYSA-N 311.425 4.095 0 40 DIAB Cc1ccc2oc(C(=O)N3CCCCC[C@H]3c3ccco3)cc2n1 605647921 LXWQZVNAKBDNMO-HNNXBMFYSA-N 324.380 4.487 0 40 DIAB O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@@H]1C[C@H]1F 1520658092 KQTBAQYWHXPIPI-HZPDHXFCSA-N 306.340 4.198 0 40 DIAB COc1ccc2c(Cl)c(C(=O)n3nc(C)cc3C)sc2c1 103760 RLVZLLDTGOEPRB-UHFFFAOYSA-N 320.801 4.065 0 40 DIAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccccc2)c1 281457 IKUQZVHDTIXNLO-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 349948 BBSXUTXCJYVFJQ-UHFFFAOYSA-N 320.421 4.275 0 40 DIAB O=C(O)c1cccc2ccc(-c3ccc4ccccc4n3)nc12 490081 HNUYHMNCFUCGCW-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB biogenic Fc1ccc(NC(=S)N2CCCCCCC2)cc1Cl 3255470 YPDYIPOPPGSTLW-UHFFFAOYSA-N 300.830 4.442 0 40 DIAB Cc1nc(NCc2cccnc2)c2c3c(sc2n1)C[C@H](C)CC3 3399349 HSTAJKAXKSYTCE-LLVKDONJSA-N 324.453 4.132 0 40 DIAB O=C(Nc1ccccc1OC(F)F)c1cc2c(s1)CCCC2 3524231 PJGBLVXXYJAOJE-UHFFFAOYSA-N 323.364 4.481 0 40 DIAB Cc1ccc(N(C)C(=O)Oc2cccc3ccc(C)nc23)cc1 3646235 MWIGRGMJHVFEFD-UHFFFAOYSA-N 306.365 4.487 0 40 DIAB C[C@@H](CCc1cn(C)c2ccccc12)NC(=O)c1ccc(F)cc1 3765551 ZUSZNIIMNTUODO-AWEZNQCLSA-N 324.399 4.069 0 40 DIAB CNC[C@@H](C)CN1c2ccccc2Sc2ccc(OC)cc21 5141721 CIDGBRQEYYPJEM-CYBMUJFWSA-N 314.454 4.153 0 40 DIAB in-vitro CCOc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)cc1 6584923 RATZYJSHEAFCFA-UHFFFAOYSA-N 324.336 4.118 0 40 DIAB Cc1ccc(C)c(C(=O)NCCSCc2cccs2)c1 7271426 GMYAAAJYILHMQZ-UHFFFAOYSA-N 305.468 4.028 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(F)cc1F 7782357 WRMDXSUWBDODMX-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB Cc1ccc(OCCCc2nc(-c3ccccc3C)no2)cc1 8428321 JRSOTLPWZMRDFW-UHFFFAOYSA-N 308.381 4.365 0 40 DIAB C[C@@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1 8771070 MKJVJNGOIUTWPR-LBPRGKRZSA-N 315.442 4.209 0 40 DIAB O=C(C[C@H]1C=CCC1)N[C@@H](c1ccc(F)cc1)c1cccs1 9155920 JKGXNPJKDJRKBW-UGSOOPFHSA-N 315.413 4.449 0 40 DIAB CC(=O)Nc1ccccc1OCc1ccccc1C(F)(F)F 9451672 SKPBYGSXXBTVAO-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 13710528 NZLGVQVIFJTSTR-MRXNPFEDSA-N 301.430 4.077 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1C 14006582 AZDZOTWFAJVFLH-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 14179807 UJYPMYMOQBQGIU-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB Clc1cc2c(c3ncccc13)OCN(CCc1ccccc1)C2 19358593 ZYGKVGCVMPUZOC-UHFFFAOYSA-N 324.811 4.283 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1C 20484871 ZFBNTOQUUIZOOJ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n(C2CCCC2)n1 28241895 CYJQMGVGQUGQFD-DLBZAZTESA-N 309.413 4.049 0 40 DIAB O=C(NC1CCCCCC1)c1cnn(-c2ccccc2)c1C1CC1 28274749 WCIJAUIALCSFQA-UHFFFAOYSA-N 323.440 4.202 0 40 DIAB O=C(N1CC[C@H]2CCCC[C@H]2C1)C12CC3CC(CC(C3)C1)C2 28896433 XRLSYGXRAVSIMK-KQCPESONSA-N 301.474 4.242 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1 31906805 CZDYVMPNWLROKK-UHFFFAOYSA-N 318.804 4.144 0 40 DIAB O=C(c1ccccc1F)N(Cc1cccc2[nH]ccc12)C1CC1 32103687 VFUIWWDNBRHUIF-UHFFFAOYSA-N 308.356 4.112 0 40 DIAB CCc1[nH]ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1 32913260 MVUVZTMUCRTQML-UHFFFAOYSA-N 307.353 4.017 0 40 DIAB COc1ccc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc1 36657771 OOBRJJSUZQFNSX-UHFFFAOYSA-N 308.425 4.126 0 40 DIAB CCOC(=O)Cc1ccc(-c2nc3ccccc3o2)cc1Cl 41127253 YVDLGQVLENRXQT-UHFFFAOYSA-N 315.756 4.254 0 40 DIAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 57340130 CPENLXZUDDVEDZ-UHFFFAOYSA-N 302.377 4.497 0 40 DIAB Cc1ccc(C)c(NCc2ccc(O)c(Br)c2)c1 62701193 RJVLYJRCDMEVRG-UHFFFAOYSA-N 306.203 4.384 0 40 DIAB C[C@H](Cc1ccccc1Br)N[C@H](C)c1cccnc1 90400564 UANMGTAHITXXOQ-CHWSQXEVSA-N 319.246 4.126 0 40 DIAB CCOC[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 96448448 CEIJCNVKYQTAJE-KGLIPLIRSA-N 322.474 4.001 0 40 DIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C 225642564 QBQZJKYUABFQJK-UHFFFAOYSA-N 324.424 4.002 0 40 DIAB CO[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253534261 YQVNELYVHGIKRR-YGJNQFLQSA-N 304.474 4.325 0 40 DIAB Cc1nc2sc(C(=O)Nc3ccccc3)c(N)c2c(C)c1C 95083 MPUABCIMTLEMSX-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccccc1OC 149623 FMRUEZUQGJHJOH-BUHFOSPRSA-N 309.409 4.472 0 40 DIAB CCOc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 493263 YGDUPGHTLQNMTB-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB CC(C)(C)[C@H]1COc2ccccc2N1C(=O)c1ccc(F)cc1 1392402 KGDGIUNOWNPYFF-QGZVFWFLSA-N 313.372 4.280 0 40 DIAB CN(C)Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 1688830 YMISRKZYNORDAN-UHFFFAOYSA-N 305.377 4.121 0 40 DIAB CC[C@]1(c2ccc(Cl)cc2)N=C(S)N(c2ccccc2)N1 2589582 KMUFVCVGOAAKNE-INIZCTEOSA-N 317.845 4.213 0 40 DIAB Cc1cc(C)c(C(=O)CSc2nc(C)c(C)c(C)n2)cc1C 2616401 ZOFANEYGHHKWNM-UHFFFAOYSA-N 314.454 4.302 0 40 DIAB Cc1ccc(C)c(OC(=O)C(C(F)(F)F)C(F)(F)F)c1C 3188861 RJUOLPFBCIKPAI-UHFFFAOYSA-N 314.225 4.258 0 40 DIAB biogenic Cc1noc(C)c1CSc1nnc(-c2ccccc2Cl)o1 3279452 ROUNCCFTWNWUKW-UHFFFAOYSA-N 321.789 4.287 0 40 DIAB O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCCC1 3307046 RMGKIAVGWSKKCA-UHFFFAOYSA-N 314.435 4.261 0 40 DIAB CSc1ncccc1C(=O)Nc1c(C)cccc1C(C)C 3592104 STRMBRAZWNXOEV-UHFFFAOYSA-N 300.427 4.488 0 40 DIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 3941075 UXWAXGPNSGZILN-UHFFFAOYSA-N 303.833 4.286 0 40 DIAB CCCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 5198184 MLQBGSKNFSTEBV-UHFFFAOYSA-N 310.353 4.329 0 40 DIAB Cc1noc(C)c1CSc1nnc(Nc2ccccc2)s1 5966340 AZRFYUXASWEKMI-UHFFFAOYSA-N 318.427 4.179 0 40 DIAB COc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc(OC)c1 6661533 DRPXYQTXQLFAPZ-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB c1nc(SC[C@H]2CCCCO2)c2c3c(sc2n1)CCCC3 6787349 ZWLWRNNGIUJZDY-LLVKDONJSA-N 320.483 4.231 0 40 DIAB O=C(CN1CCCc2ccccc21)Nc1cccc2ccccc12 7587969 OINNZMAZADPYER-UHFFFAOYSA-N 316.404 4.231 0 40 DIAB COc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccccc3)C2)cc1 9306457 QJPKNOHPGIBUAN-LJQANCHMSA-N 322.408 4.029 0 40 DIAB O=C(c1occc1COc1ccccc1)N1CCc2ccccc21 11367947 MBFFJGLIRVCSMZ-UHFFFAOYSA-N 319.360 4.062 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 11467622 AJIRTZBIWDRJLY-KRWDZBQOSA-N 313.422 4.049 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13689135 VWNVYPZVDXDJLH-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(F)c2)cc1Cl 13935121 UPEUTSSKVDNZCU-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Cc1nnc(SCc2noc(-c3ccc(F)cc3)c2C)s1 14119902 WXDLQYAIGKBWBW-UHFFFAOYSA-N 321.402 4.241 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSC(C)(C)C 20457121 MUEFIXQWHUGAPJ-OAHLLOKOSA-N 323.502 4.109 0 40 DIAB O=[S@](Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1 58158369 BSPHHHBQEMIJLK-OAQYLSRUSA-N 316.319 4.293 0 40 DIAB Cc1ccsc1CN(C)c1nn2cc(C(C)(C)C)nc2s1 58356887 BTZFCMVNSJICTE-UHFFFAOYSA-N 320.487 4.095 0 40 DIAB Cc1ccc(-c2nc(Cn3ccnc3-c3ccccn3)cs2)o1 65588075 ZNSKHBBJVFTCCL-UHFFFAOYSA-N 322.393 4.018 0 40 DIAB CC(C)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 71326239 JUSCZYJZIICNCQ-UHFFFAOYSA-N 314.410 4.348 0 40 DIAB CC(=O)c1c(C)cc(C)c(CN2CCC[C@H]2c2ccc[nH]2)c1C 95350738 TXUWQXBBBXRWSF-IBGZPJMESA-N 310.441 4.480 0 40 DIAB CCOC(=O)c1ccc(Oc2ccc(Br)cc2)cc1 95915980 MMTZIMQMZQYQQM-UHFFFAOYSA-N 321.170 4.418 0 40 DIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](c1ccco1)C(C)(C)C 96486906 IWYFWBBDSWRKQK-DIFFPNOSSA-N 317.433 4.017 0 40 DIAB Cc1nnc([C@@H](C)N[C@H](Cc2ccccc2)c2cccs2)o1 97373853 INHKNBYNJYPQLZ-IUODEOHRSA-N 313.426 4.074 0 40 DIAB C[C@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 118917927 OTTDRBNUMLADAX-YNVMMVBGSA-N 304.474 4.205 0 40 DIAB COc1ccc2[nH]cc(C(=O)c3cccc(C(F)(F)F)c3)c2c1 199721157 OSKBQPACHIYCHX-UHFFFAOYSA-N 319.282 4.426 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3)N21 222639797 FYDNJSLXEFDSOT-HYVNUMGLSA-N 309.438 4.061 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 224602978 VMPOCYAPUXRCKA-SJORKVTESA-N 305.462 4.403 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225610320 ZYLPNKFOYAFIRD-GOSISDBHSA-N 305.418 4.152 0 40 DIAB CCCN(C(=O)/C=C\c1ccco1)[C@@H]1CCCc2cccnc21 584908698 NWYHQGORWKUOIE-QXPKXGMISA-N 310.397 4.004 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 37082 JKOJVUSLHWSTBI-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 61771 DBQOMKVZOGDJOW-SFQUDFHCSA-N 323.367 4.468 0 40 DIAB O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 348164 MHAZCQNKLXWHEG-FQEVSTJZSA-N 314.388 4.166 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCC[C@H]1Cc1ccco1 500344 YFLRKXISNOEIDD-BLLLJJGKSA-N 318.804 4.466 0 40 DIAB CCCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 1269801 YYCCWRVAFICITM-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB O=C(C[C@H](c1ccccc1)N1CCCCC1)OCc1ccccc1 1569386 PWMHOMZHKCPYAJ-HXUWFJFHSA-N 323.436 4.347 0 40 DIAB O=C1CCCC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 2078512 GFVDTLRYSSYWJM-UHFFFAOYSA-N 315.756 4.176 0 40 DIAB Cc1cc(C)c(OS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 3098850 KVKAYMBXVDFTLR-UHFFFAOYSA-N 318.438 4.305 0 40 DIAB CCOc1ccccc1COC(=O)c1cc(C)nc2ccccc12 3366976 LQBYEZGFFDYYMO-UHFFFAOYSA-N 321.376 4.299 0 40 DIAB Brc1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@H]3C2)cc1 3852120 ZOJDOLXPTOICHP-UXWRLGMKSA-N 321.214 4.077 0 40 DIAB Cc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 4671165 WMZUMKQGKKEQBL-UHFFFAOYSA-N 304.411 4.060 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1 6287929 IKYDQSCUSJRTEP-KBVBDRTLSA-N 303.764 4.370 0 40 DIAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 6496265 DQMHIDQYWNJBOI-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2 6904693 DLFGIOABLIJWKZ-CDAMIZFSSA-N 301.474 4.145 0 40 DIAB CC[C@@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732963 YLTXTMVVPZMORB-CQSZACIVSA-N 321.442 4.161 0 40 DIAB O=C(NCCCSc1ccccc1)c1cc2ccccc2o1 8754815 RYGBMOZVUZOZNK-UHFFFAOYSA-N 311.406 4.345 0 40 DIAB Cc1cnc(NC(=O)c2cc3cc(Cl)ccc3nc2C)s1 9503900 KEHQHLMTCSKCRV-UHFFFAOYSA-N 317.801 4.214 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)o1 10321611 PUDIQVNQWMYQLB-UHFFFAOYSA-N 317.348 4.155 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(F)ccc1C)C2 11425938 ITJBAJCOWPAUGM-MRXNPFEDSA-N 301.386 4.098 0 40 DIAB Cc1c(C(=O)N2CCC(c3ccncc3)CC2)oc2ccccc12 12117388 YPELCZFAFHMTHP-UHFFFAOYSA-N 320.392 4.156 0 40 DIAB Cc1ccc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3)cc12 12493095 GMROAEWIMCSUCN-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cc1cccc(C)c1NC(=O)c1sc(-c2ccccn2)nc1C 12889815 MAYJWPWMVRPCOD-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 14159308 GHINGCSZTGEAFZ-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB Cc1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl 15085312 PPQLQJGYSVCTCX-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 15366682 BFAWJXKNZRWQIE-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 17285845 ZDHCJEIGTNNEMY-GTYQWKCWSA-N 302.458 4.269 0 40 DIAB biogenic N[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 22588080 QHUYQHXMNCGJAS-OWWWHOFVSA-N 306.453 4.445 0 40 DIAB CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc(OC)cc1 24706048 ARNVJBDZPZXSLO-IBGZPJMESA-N 311.425 4.204 0 40 DIAB CCCn1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc2ccccc21 27923707 HNHBZKJQZMUGFJ-HZPDHXFCSA-N 319.408 4.189 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(F)c1F 27924926 CFTCUYFODKHTOS-UHFFFAOYSA-N 323.368 4.116 0 40 DIAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)C1CCCCC1 28220630 HGEQCAYNLSNPSU-UHFFFAOYSA-N 317.820 4.104 0 40 DIAB CCn1nccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 28225226 OAZMLBJKRIPHQP-UHFFFAOYSA-N 318.591 4.116 0 40 DIAB O=C(O)/C(=C/c1ccc(Br)cc1)c1cccs1 33846538 NSNGEGUYVNWOBX-DHZHZOJOSA-N 309.184 4.136 0 40 DIAB COC(=O)c1ccccc1OCc1ccc(C(F)(F)F)cc1 36719670 ZVPCXMXUVHUXGP-UHFFFAOYSA-N 310.271 4.071 0 40 DIAB O=C(O)c1cccnc1Nc1ccc(Cl)c(C(F)(F)F)c1 41107507 IVWHTROUPGIXDI-UHFFFAOYSA-N 316.666 4.196 0 40 DIAB Cc1nc(S[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)oc1C 47559645 DQRDZYSCMZZZDQ-GLQYFDAESA-N 324.490 4.103 0 40 DIAB O=[S@](Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 58289490 VUNNQWPUWVYGQH-NRFANRHFSA-N 316.319 4.293 0 40 DIAB CC(=O)c1ccccc1NCc1cc(Cl)cc2c1OCOC2 69349542 HODKHYYPXKVTKT-UHFFFAOYSA-N 317.772 4.021 0 40 DIAB Cc1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 73638262 HHSKWIHRJKHHCL-UHFFFAOYSA-N 305.150 4.440 0 40 DIAB C[C@H](SCc1nc(C2CC2)no1)c1ncc(C(C)(C)C)o1 85228449 AWVLWMWMLKBBAI-VIFPVBQESA-N 307.419 4.227 0 40 DIAB Cc1nc(-c2cccc(NC(=S)NC3CCCC3)c2)cs1 225179525 FMUKQZWNDFOHIO-UHFFFAOYSA-N 317.483 4.348 0 40 DIAB O=C(c1ccc(F)cc1C(F)(F)F)C(F)(F)Br 575360321 BJVNZHVXRHRLMF-UHFFFAOYSA-N 321.014 4.015 0 40 DIAB Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 50425 OTPUIPZIPYDMAC-UHFFFAOYSA-N 304.349 4.313 0 40 DIAB Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 146628 LKGYDHJSMKOYMG-INIZCTEOSA-N 303.814 4.427 0 40 DIAB O=C(Nc1ccc2ccccc2c1)c1cc2ccccc2oc1=O 502516 ORCPBSUOEFUIAG-UHFFFAOYSA-N 315.328 4.199 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 807180 AHJRAELVJNWEIP-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB CCOC(=O)c1ccc2c3c([nH]c2c1C)-c1ccccc1CC3 1668031 JLKWYAHTRPHIID-UHFFFAOYSA-N 305.377 4.419 0 40 DIAB CCCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 2052119 YRURQWLPSORKBH-UHFFFAOYSA-N 319.257 4.387 0 40 DIAB CCc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 3159074 YTLYRPIVSHYLPW-UHFFFAOYSA-N 305.171 4.231 0 40 DIAB CCN(CC)c1ccc2cc(-c3nc(C)cs3)c(=O)oc2c1 3177591 WLISBEKZGNPZHY-UHFFFAOYSA-N 314.410 4.071 0 40 DIAB O=C(O)Cc1sc(NCc2ccccc2)nc1-c1ccccc1 3350762 DDBRUXCVUBGLCR-UHFFFAOYSA-N 324.405 4.049 0 40 DIAB COc1ccc2oc(C(=O)NCC3CCCCC3)c(C)c2c1 3528496 OMLFYHNDZXPRPW-UHFFFAOYSA-N 301.386 4.060 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1ccccc1SCCOC 4649118 LRXBXVKQTCXNFW-HNNXBMFYSA-N 323.502 4.371 0 40 DIAB Cc1nc2ccc(NC(=S)NCc3ccccc3)cc2s1 6334383 QPGFZIMIALQZHG-UHFFFAOYSA-N 313.451 4.091 0 40 DIAB O=C(/C=C/c1ccco1)N1CCC[C@H]1c1nc2ccccc2s1 6509039 JQSVSYLMHKOXFL-FEAKQIBJSA-N 324.405 4.266 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2ccccc2n1 7060723 RXWGQWPUKOLAKE-UHFFFAOYSA-N 310.784 4.160 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)cc(F)c1 7348688 FSBMLRQIZIXBID-UHFFFAOYSA-N 311.715 4.188 0 40 DIAB COCCc1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 7983791 RYBAIVHJEAWRLJ-UHFFFAOYSA-N 314.410 4.289 0 40 DIAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(C)c1 8007303 PTDJDTDGLSXZLB-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB C[C@H](c1ccccc1)c1nnc(NC(=O)C2CCCCC2)s1 8771072 MKJVJNGOIUTWPR-GFCCVEGCSA-N 315.442 4.209 0 40 DIAB CC(C)Oc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 10715473 UZSDMOSMSFXBDN-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB CC(C)(c1ccccc1)c1ccc(OCC2CCNCC2)cc1 14631470 XFJQOBJBVLEXDY-UHFFFAOYSA-N 309.453 4.391 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 17446771 IKIQZKUECYFISO-UHFFFAOYSA-N 302.377 4.233 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2c(F)cccc21 18177591 BJULTEDHXQSKML-CQSZACIVSA-N 320.364 4.323 0 40 DIAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn12 19898722 AHNNNFAWCIJNHS-UHFFFAOYSA-N 313.332 4.017 0 40 DIAB CN(C(=O)c1cn(C)c2ccccc12)[C@H]1CCCc2ccccc21 32738603 HEOCDNQZNPPAOE-FQEVSTJZSA-N 318.420 4.328 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1 40139475 DDGLXBSMVNCDAR-CHWSQXEVSA-N 304.415 4.257 0 40 DIAB COc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)cc1OC 40243487 UHWXXOVVQYLODE-OAHLLOKOSA-N 313.180 4.092 0 40 DIAB Cc1cc(C)c2ccc(NC(=O)c3ccccc3Cl)nc2n1 40818222 VKBHJCNLBNTLFN-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB CSc1ccccc1C(=O)Nc1ccc(OC(C)C)cc1 42645545 FTAHSONMQOQABG-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB C[C@@H](NC(=O)N(C)[C@H](C)c1cccc(Cl)c1)c1ccncc1 56383512 IIAOLBAHRDUGKY-CHWSQXEVSA-N 317.820 4.199 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CCC[C@@H]1C1CCCC1 56563564 JUKOQAJEFVBTJK-QGZVFWFLSA-N 309.413 4.421 0 40 DIAB CC(C)(C)n1nc(C(=O)Oc2ccc(Cl)cc2)cc1C1CC1 58394191 DGASMAOBJXULSG-UHFFFAOYSA-N 318.804 4.388 0 40 DIAB Fc1ccc(NC(=S)NCc2cccc3ccccc23)cc1 58965516 HYXSHMXMIYJGBN-UHFFFAOYSA-N 310.397 4.466 0 40 DIAB CCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 68750766 KVYARGMCLDMAQK-UHFFFAOYSA-N 305.761 4.489 0 40 DIAB O=[S@](Cc1ccccc1)Cc1csc(C2CCCC2)n1 69659509 UEPDVKXOGAJVKE-FQEVSTJZSA-N 305.468 4.250 0 40 DIAB O=[S@](Cc1coc(-c2cccc(F)c2)n1)CC1CCCCC1 72242464 XVCPOPFFDIGZHB-JOCHJYFZSA-N 321.417 4.310 0 40 DIAB CC(=O)N(c1nc(CSc2cccc(C)c2)cs1)C1CC1 79350797 BJFYWANYNWLOQH-UHFFFAOYSA-N 318.467 4.259 0 40 DIAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)c(F)c1 95945229 RMPWUAWGSDGYIB-OAHLLOKOSA-N 322.792 4.238 0 40 DIAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(F)c2)c(C)c1 96137072 LSHOVYNVJXODHY-BQYQJAHWSA-N 319.401 4.164 0 40 DIAB C[C@H](O)C/N=c1/cc(-c2ccccc2)oc2ccc(Cl)cc12 101168527 BVYUNABCYSKLSX-ZNASEZLDSA-N 313.784 4.035 0 40 DIAB Cc1cc(Br)c2[nH]c(-c3cccc(N)c3C)nc2c1 216918364 AGDUDWUBMLYVGA-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB Fc1ccccc1C[n+]1ccc(-c2nc3ccccc3s2)cc1 226307572 UDYAMJRKPQHKRM-UHFFFAOYSA-N 321.400 4.438 0 40 DIAB CCn1c(SCCC(F)=C(F)F)nnc1-c1ccco1 521394942 CJNYKLLQEVPWSW-UHFFFAOYSA-N 303.309 4.118 0 40 DIAB c1ccc(C2CC3(C2)CN(c2ncnc4ccsc24)C3)cc1 1775970437 MVQSDODAMRVVGZ-UHFFFAOYSA-N 307.422 4.075 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1 28335 MGULLFMYZCCHKQ-AAWPKVBNSA-N 309.409 4.148 0 40 DIAB Cc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)o1 176320 FQQFYVDJKQWOQR-QPEQYQDCSA-N 322.147 4.239 0 40 DIAB Cc1cc(Nc2ccccc2)n(C(=O)c2ccc(Cl)cc2)n1 323814 MBTXUUVBYJUUKG-UHFFFAOYSA-N 311.772 4.277 0 40 DIAB COc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1 1396906 GIUCPJPVQBGNBE-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 2620903 ZPZRDXHBQNYTRU-LBPRGKRZSA-N 319.788 4.145 0 40 DIAB Clc1cccc(CSc2ccc(-c3cccnc3)nn2)c1 4358278 ZZJXHXPGBMGTSE-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CCCCc1ccc(NS(=O)(=O)c2ccccc2C)cc1 4660759 PSYSEMLHZHRHRD-UHFFFAOYSA-N 303.427 4.138 0 40 DIAB COc1cccc2c(N[C@@H](C)c3ccccc3)c(C(=O)O)cnc12 5610146 OFTGVWHMBBCTCO-LBPRGKRZSA-N 322.364 4.115 0 40 DIAB O=C1CCOc2c1cc1c3c(cccc23)C(=O)c2ccccc2-1 5685273 UCMIILFJBGQHFT-UHFFFAOYSA-N 300.313 4.016 0 40 DIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)Cc1ccc(Cl)cc1 6199898 GNROCHHGHQXURX-LBPRGKRZSA-N 317.791 4.390 0 40 DIAB COc1ccccc1COC(=O)CCCc1c[nH]c2ccccc12 7339360 WEMCDCSAAXMWCP-UHFFFAOYSA-N 323.392 4.243 0 40 DIAB Cc1[nH]c2ccc(C(=O)Nc3cc(F)ccc3F)cc2c1C 7987357 FOZUDASZYHWRLA-UHFFFAOYSA-N 300.308 4.315 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H]1c1ccccc1 9957599 IJOXGYSJAWRKIS-BPOBUFBUSA-N 321.420 4.381 0 40 DIAB Fc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)n[nH]2)cc1 12414964 BVNRBSOIFHVVDE-UHFFFAOYSA-N 324.290 4.072 0 40 DIAB CC(C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12561884 LNCHTMSNDUINGW-IBGZPJMESA-N 308.425 4.242 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1nnc(C2CCCCC2)s1 14679043 RKMBNMLOJKXTLE-VAWYXSNFSA-N 313.426 4.238 0 40 DIAB OC1CCC(Nc2nc(-c3ccccc3)nc3ccccc23)CC1 15208761 CUALLZGIJMWNKR-UHFFFAOYSA-N 319.408 4.012 0 40 DIAB Cc1ccccc1[C@H](C)N[C@H](C)c1nnc(-c2ccccc2)o1 24518923 BFMGUSOGKFBVQE-LSDHHAIUSA-N 307.397 4.457 0 40 DIAB Cc1ccc(-n2ccnc2S[C@@H]2CCCCC2=O)cc1C 26044483 YBUHEULWZBVZJP-MRXNPFEDSA-N 300.427 4.093 0 40 DIAB Brc1ccc(Oc2ncnc3ccsc23)cc1 37375042 CJJWZWJQNXNKGZ-UHFFFAOYSA-N 307.172 4.246 0 40 DIAB COC(=O)c1cc(Nc2ccc(C)cc2)c2cccc(F)c2n1 38486814 VGILGSWLRIMULL-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB Cc1ccccc1NC(=O)Nc1cccc(N2CCCCC2=O)c1 38698809 AJZFQNHEFWNVGR-UHFFFAOYSA-N 323.396 4.156 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(F)cc(F)cc23)c1 40175560 JTQOIAFPFIBDOV-UHFFFAOYSA-N 314.291 4.043 0 40 DIAB CC(C)c1ccccc1OCCn1c(C=O)nc2ccccc21 41058282 ZOYMUMIBPPFQJU-UHFFFAOYSA-N 308.381 4.051 0 40 DIAB O=C(NCc1cccc(Br)c1)c1ccc(Cl)cc1 42238961 NXSFBEWUSXNXCB-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB COc1cccc(Oc2ccc(NC(=S)NC(C)C)cc2)c1 47080989 KNMSIZNIRVWDFO-UHFFFAOYSA-N 316.426 4.182 0 40 DIAB Cc1ccccc1CN(C)[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 57676254 LFAPEZVNSKLWRI-INIZCTEOSA-N 320.436 4.488 0 40 DIAB Cc1nc2cc(NC(=O)[C@@]3(C)CCCc4ccccc43)ccc2o1 58323561 BFKULHAAHQOQAJ-FQEVSTJZSA-N 320.392 4.369 0 40 DIAB COc1ccc2c(ccn2-c2ccc(Br)cc2)c1 60051801 QHCNTFMXLIXVKM-UHFFFAOYSA-N 302.171 4.402 0 40 DIAB Cc1cc(Cl)ccc1NC(=S)Nc1ccc2c(c1)OCO2 71760650 NERIAJYMHAINJP-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1CC(C)C 72219283 FSIJZPGHWNTXAP-SFHVURJKSA-N 301.478 4.173 0 40 DIAB CCC(CC)(NC(=O)CSc1ccc(C)cc1)C(F)(F)F 72306385 OYHCMGQSKAQKOJ-UHFFFAOYSA-N 319.392 4.324 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cn1 84622033 ZAQNGHOPVZGZNY-SNVBAGLBSA-N 324.833 4.075 0 40 DIAB Cc1csc([C@@H]2CCCN(Cc3cnc(C4CC4)s3)C2)n1 92788361 DXBWWSBZQMAPQR-CYBMUJFWSA-N 319.499 4.165 0 40 DIAB c1cncc(CNc2cccc(Cn3cnc4ccccc43)c2)c1 95429092 XYJJLQWBKGKGJN-UHFFFAOYSA-N 314.392 4.092 0 40 DIAB CC(C)C[C@H](C)OC(=O)c1c(F)ccc(OC(F)F)c1F 95449986 GJSKFNIRLVQRHX-QMMMGPOBSA-N 308.271 4.158 0 40 DIAB C[C@@H](Nc1ncc(Cl)cn1)c1ccccc1Br 95963388 DVHCADFATQAYKA-MRVPVSSYSA-N 312.598 4.066 0 40 DIAB CC(C)(C)c1nc(Cn2ccnc2-c2cccs2)cs1 95990766 QJJOBDRETJCAHJ-UHFFFAOYSA-N 303.456 4.414 0 40 DIAB CCN(C(=O)CCc1ccc(Cl)s1)c1nc(C)cs1 96416478 OSFQAGNCWVQYQB-UHFFFAOYSA-N 314.863 4.152 0 40 DIAB C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1csc(C2CC2)n1 96440217 SVVOUULIIFGKJY-HUBLWGQQSA-N 319.474 4.056 0 40 DIAB C[C@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1cncc(F)c1 96478827 RAEJFVAKNNPRJS-DYZYQPBXSA-N 306.331 4.301 0 40 DIAB CCCCc1c(C)nn(-c2nc(-c3ccccc3)cs2)c1O 103165660 NSISQJJBFFBAJC-UHFFFAOYSA-N 313.426 4.352 0 40 DIAB CN(C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918555 ZSTQCIVAAMTXKR-LWYCANNGSA-N 319.533 4.320 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)cc2)c1 223062423 JMVSTBYAISNCQG-UHFFFAOYSA-N 301.817 4.395 0 40 DIAB CCOC(=O)Cc1csc(Nc2cccc3ccccc23)n1 223448463 VHUDEWDKENQUAC-UHFFFAOYSA-N 312.394 4.146 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(F)cc1 224447685 NTJAGGBQSVJSQF-RHSMWYFYSA-N 309.425 4.316 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1Cl 224897710 GVLPVTPDSGPCHV-CYBMUJFWSA-N 317.816 4.456 0 40 DIAB Cc1ccccc1C(=O)N1CCS/C1=C/c1cccs1 225234544 HYOUTVJCQUCVMQ-RVDMUPIBSA-N 301.436 4.244 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225612900 AXCGQIVVSAJDPU-KSSFIOAISA-N 307.434 4.316 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1C 225629197 OSECGELSFJJPHE-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225690910 GGLITEASQMVOGM-MRXNPFEDSA-N 313.825 4.128 0 40 DIAB Cc1oc(C(C)C)cc1C(=O)Nc1ncn(C2CCCCC2)n1 286039188 KMHMJNSSRKEMLY-UHFFFAOYSA-N 316.405 4.060 0 40 DIAB Cc1ccc(-c2cccc(CC3(C(=O)O)CCOCC3)c2)c(C)c1 299851526 MXYGQJHBHHXRDN-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB CCCc1nc(-c2noc(CCc3cccc(Cl)c3)n2)co1 514818985 SNLOJECWLZHSBZ-UHFFFAOYSA-N 317.776 4.116 0 40 DIAB O=C(CCc1ccc(F)c(Cl)c1)NC1CCC(F)(F)CC1 585398226 REFZHHDVAPFYIP-UHFFFAOYSA-N 319.754 4.106 0 40 DIAB c1ccc(CNc2nc(-c3ccccn3)nc3ccccc23)cc1 530416 LVDCGGJQSCVQAI-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB CN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 1402853 JUSVFVAZYRGUAA-UHFFFAOYSA-N 305.830 4.236 0 40 DIAB CC1(C)CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O 1403385 JGOIKJJMOZWUOF-UHFFFAOYSA-N 311.225 4.097 0 40 DIAB CCC(C(=O)[C@@H](C)CN(C)C)(c1ccccc1)c1ccccc1 1577551 FGGFXBCANDWASR-KRWDZBQOSA-N 309.453 4.150 0 40 DIAB CC(=O)CCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)CC2 3844780 HWQKTPGCLSZTHV-OAHLLOKOSA-N 321.420 4.190 0 40 DIAB biogenic Clc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1 4358283 BNQFTHSENRSCHW-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB S=C(Nc1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1 6276594 UTICVEFUCKJJFX-UHFFFAOYSA-N 302.790 4.025 0 40 DIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccccc1Cl 6351680 JWRCPPXZVIETDI-LLVKDONJSA-N 323.849 4.237 0 40 DIAB COc1ccc(Nc2cc(SCc3ccco3)ncn2)cc1 6794160 QZEPWDOSQKBVJP-UHFFFAOYSA-N 313.382 4.114 0 40 DIAB O=C(CCSc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 6933596 JPJRNWYUQHQCHG-UHFFFAOYSA-N 315.413 4.435 0 40 DIAB Cn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 7197915 DNBGJZHDHJFTBD-UHFFFAOYSA-N 323.343 4.279 0 40 DIAB CCCCNc1nc2ccccc2n1Cc1cccc(OC)c1 7738593 WTNROUOYOJYVLJ-UHFFFAOYSA-N 309.413 4.305 0 40 DIAB O=C(CNc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 7971661 PBBLNSMSFVLHEJ-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB CCC[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 9052296 GYJREEFMSYTWAV-HNNXBMFYSA-N 313.397 4.163 0 40 DIAB Cc1ccc(CSc2nccn(-c3ccc(C)cc3)c2=O)cc1 9320381 KONVVZWDKAOOKJ-UHFFFAOYSA-N 322.433 4.142 0 40 DIAB O=C(O)c1ccc(CSc2cc(-c3ccccc3)ncn2)cc1 12016929 WXJQBYLTYYDEKK-UHFFFAOYSA-N 322.389 4.134 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccccc1 13708832 LQHJHSGCZYBTOB-HOTGVXAUSA-N 319.404 4.485 0 40 DIAB CCN(CC)CCN(C)Cc1coc(-c2ccccc2)c1Cl 19366043 BJVNQETYPWLVRQ-UHFFFAOYSA-N 320.864 4.374 0 40 DIAB Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(Cl)c1 20019127 DVHLXBHOGZCWMU-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)cc1 20456041 FMRJTBJOQLWYCF-QGZVFWFLSA-N 315.438 4.055 0 40 DIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)(C)C 21580462 YXLBYTCEABIAEY-UHFFFAOYSA-N 323.396 4.223 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCc2ccccc2C1 22534792 RHCWGSRVTCACMP-IBGZPJMESA-N 323.436 4.046 0 40 DIAB Cc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 28047707 XPHNGRWIXQRPOK-UHFFFAOYSA-N 311.768 4.458 0 40 DIAB CCCn1nc(C)cc1NC(=O)Nc1ccc(F)c(Cl)c1 32609923 VOCVACCOTPLACM-UHFFFAOYSA-N 310.760 4.038 0 40 DIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 32895212 ZCKJIJKINADFIS-PWSUYJOCSA-N 305.727 4.191 0 40 DIAB CN(Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1F 58167211 SWUMPDDNRJKTNT-UHFFFAOYSA-N 317.751 4.166 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1cccc2[nH]ccc12 58171049 VYGGJMSVQXZEET-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc2s1 60625355 ASVBRWCBRSDMHL-UHFFFAOYSA-N 318.785 4.216 0 40 DIAB CC(=O)c1c(-c2ccc(C)cc2)c2cc(Cl)ccc2[nH]c1=O 61957974 JVIZWKNKSFAFGB-UHFFFAOYSA-N 311.768 4.360 0 40 DIAB COC(=O)c1scc(C)c1NC(=O)Nc1ccc(Cl)cc1 71289260 LKHBDHPFRQKVPM-UHFFFAOYSA-N 324.789 4.141 0 40 DIAB Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)nc(-c2ccncc2)n1 75103494 IZFCNRXJMUSLIT-QGTPRVQTSA-N 322.456 4.252 0 40 DIAB COC1=CCC2=C(C1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302222 YHUKDDAMJMEQCF-HMSSEDMDSA-N 302.458 4.450 0 40 DIAB in-vitro CC(C)(C)[C@@H]1CCCN(Cc2nccn2CC(F)(F)F)CC1 78759392 BIFSIJLYADAHJT-CYBMUJFWSA-N 317.399 4.094 0 40 DIAB Cc1ccc(-c2cc(-c3cncc(Br)c3)[nH]n2)cc1 95094772 CNJCOCCNIZNWQP-UHFFFAOYSA-N 314.186 4.210 0 40 DIAB CCOC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C 95347959 VOSIHJUSTXLXCV-UHFFFAOYSA-N 300.141 4.134 0 40 DIAB in-vitro CC[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(F)cc1F 95981585 QONXZYWJGDAZJC-LLVKDONJSA-N 317.261 4.337 0 40 DIAB C[C@]12CC3CC(NCc4ccc(C(=O)O)cc4)(C1)C[C@](C)(C3)C2 101662392 ASFWDZXKFWCQKK-QJTDPOQLSA-N 313.441 4.223 0 40 DIAB CC(C)(C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 222717773 DDGPYOVFLWFRJL-UHFFFAOYSA-N 315.388 4.067 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(C)c1 223093343 RGMCEJREQBWQSF-HGZMWJMZSA-N 309.409 4.284 0 40 DIAB Cc1ccc(CSCC(=O)NC[C@H](C)c2ccccc2)cc1 223399514 IAYSFAXPZYEMLU-INIZCTEOSA-N 313.466 4.148 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCc1nc2ccccc2o1 224948279 CPXFTGVLIZSCMB-AWEZNQCLSA-N 302.418 4.093 0 40 DIAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(-c2ccccc2)o1 408734312 SBGDYRGLBWIWIL-UHFFFAOYSA-N 321.332 4.236 0 40 DIAB O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 233125 MCDYTRXHCNELKZ-UHFFFAOYSA-N 302.329 4.137 0 40 DIAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1Cl 551751 SGSUJULEMQNDGM-AWEZNQCLSA-N 323.179 4.284 0 40 DIAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1Br 570564 DGCUDCWUQTWEKM-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CCOc1cc(/C=C/C(=O)NC(C)(C)C)ccc1OCC(C)C 2648256 QAYPWCDZGHKSGY-PKNBQFBNSA-N 319.445 4.048 0 40 DIAB Cc1ccc(S(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 3129993 FLOOMPMPVQMTEF-UHFFFAOYSA-N 308.402 4.080 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 3524130 VHNUKJLAGBNIMO-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1 4678480 LJLFVKAMTHSBKV-UHFFFAOYSA-N 321.424 4.270 0 40 DIAB CCOCCCNCc1ccc(-c2cccc(Cl)c2C)o1 7538991 VQXMJVPPUZCIAM-UHFFFAOYSA-N 307.821 4.425 0 40 DIAB CCc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 7807598 MDDWONLWWVUVRR-UHFFFAOYSA-N 323.421 4.328 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 7850950 CMSPILYIPLWOLY-UHFFFAOYSA-N 304.393 4.077 0 40 DIAB O=C(/C=C/c1ccccc1F)N1CC=C(c2ccccc2)CC1 12993450 VCFUHFQLHDLPAF-ZHACJKMWSA-N 307.368 4.155 0 40 DIAB Cc1cccnc1NC(=O)C(c1ccccc1)c1ccccc1 13112519 UPBDTNXNZHJUMB-UHFFFAOYSA-N 302.377 4.161 0 40 DIAB CCc1ccc(CCC(=O)NCCCc2ccc(C)cc2)cc1 13670015 SRXXNODOCKTFEZ-UHFFFAOYSA-N 309.453 4.239 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 15519654 IDCYEXQNHLBQQV-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CCN(CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl 22871018 HLZZHRVERPITLD-ZDUSSCGKSA-N 323.695 4.029 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)c(C)c1 24834142 CHEPNMQNNQPKRC-UHFFFAOYSA-N 319.404 4.434 0 40 DIAB O=C(O)c1cc2c(C(F)(F)F)cc(-c3cccs3)nc2[nH]1 37593688 XAEKDJIZRXCTRY-UHFFFAOYSA-N 312.272 4.008 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 38771931 HHLQEMNUBNWREC-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 38833514 SCFSGVCFQDFUKE-LJQANCHMSA-N 322.452 4.154 0 40 DIAB Cc1cccc(C(=O)NCCCO[C@H](C)c2ccccc2)c1C 40050737 MMPGWXSVDOHRMU-QGZVFWFLSA-N 311.425 4.201 0 40 DIAB CC(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)s1 40104045 KSIBNGBPMGKQIL-SNVBAGLBSA-N 322.409 4.026 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1 40156607 FLKQCNZUYRLMDP-KBPBESRZSA-N 318.486 4.234 0 40 DIAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c2ccccc12 41096647 XCFTZJHIUHDVEF-GFCCVEGCSA-N 323.845 4.056 0 40 DIAB CC[C@@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 43729788 AEGOWUBIDKGRDB-GOSISDBHSA-N 322.408 4.167 0 40 DIAB CC(C)n1nccc1NC(=O)N(C)Cc1cccc2ccccc12 47362790 MTRJKESVVDDSDP-UHFFFAOYSA-N 322.412 4.281 0 40 DIAB COc1ccc2ccccc2c1CN[C@@H]1CCOc2ccccc21 57681660 ATDOTRXJWZIZRH-LJQANCHMSA-N 319.404 4.462 0 40 DIAB O=C(CN1CCC[C@H]1c1cccs1)c1c[nH]c2ccccc12 58160666 NPKJOTVMFYXYSC-INIZCTEOSA-N 310.422 4.249 0 40 DIAB COCCCC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 58268274 DESJCZNQKHBMMS-HNNXBMFYSA-N 312.413 4.225 0 40 DIAB CC(C)(C)OC(=O)NC(C)(C)c1cccc(Br)c1 67801337 DZJJQQBWKYPUKV-UHFFFAOYSA-N 314.223 4.209 0 40 DIAB CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)O 70426892 CJHBOPAQVKEDHQ-UHFFFAOYSA-N 300.141 4.470 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CNc2cc(Cl)ccc2C)c1C 72271176 TYTYBMYRXGHINH-UHFFFAOYSA-N 318.804 4.091 0 40 DIAB Cc1cc2c(cc1C)NC1=C(O)[C@@H](c3cccc(O)c3)OC1=N2 100368224 GEZHYURDNWVPAL-QGZVFWFLSA-N 308.337 4.006 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(C(F)(F)F)c1 102415092 IUYLMAHTDIGPIR-FPMFFAJLSA-N 311.347 4.148 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[C@H](C)c2cccs2)o1 110510321 LJGFIOPKGDDHEI-FAPKMSCLSA-N 301.411 4.355 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 113968849 SYFMSDZMAFJXPA-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CCOc1ccc2c(c1)c(C=O)c(C)n2CCc1ccccc1 217770255 YUPUJADDNRAZON-UHFFFAOYSA-N 307.393 4.404 0 40 DIAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223204679 GQJJLFBYDIPUGN-INIZCTEOSA-N 307.437 4.212 0 40 DIAB CC1=CC(C)(C)N([C@@H](C(=O)O)C(C)C)c2ccc(Cl)cc21 223209157 FVBUHOWMESBCSR-OAHLLOKOSA-N 307.821 4.451 0 40 DIAB CC(C)(C)SCCNC(=O)C1(c2ccccc2)CCCC1 224015936 KDDZBFVOGUVGIZ-UHFFFAOYSA-N 305.487 4.146 0 40 DIAB Cc1ccc2cnccc2c1NC(=O)[C@@H]1CCOc2ccccc21 1588180183 IVPZSQSXCINHLA-QGZVFWFLSA-N 318.376 4.048 0 40 DIAB Brc1ccc(-c2nnc3ccc4ccccc4n23)cc1 76983 NDSPDJUAAGYVGQ-UHFFFAOYSA-N 324.181 4.312 0 40 DIAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@]1(C)C(=O)C2 308207 UPJYLPZNLJGXSV-DLBZAZTESA-N 305.805 4.064 0 40 DIAB CC[C@@H](C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1 2205547 KAPDNUXJGFUHEW-GOSISDBHSA-N 320.436 4.329 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 3562364 RRMPJUIQFREONM-NSHDSACASA-N 324.207 4.077 0 40 DIAB CCc1cccc2sc(NC(=O)c3ccccc3OC)nc12 4325807 OIOVDOPHPYENQT-UHFFFAOYSA-N 312.394 4.120 0 40 DIAB COc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1 5158209 ZGQCLLUPNYNBQX-UHFFFAOYSA-N 305.337 4.437 0 40 DIAB Clc1ccccc1CSc1ccc(-c2cccnc2)nn1 5442345 JBJOOKAHOYMBSJ-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB CC(C)c1ccccc1NS(=O)(=O)c1ccccc1Cl 6919562 UXCCDKWEHFATOO-UHFFFAOYSA-N 309.818 4.264 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 7294670 MIZKCIZWSZFSBL-LLVKDONJSA-N 321.829 4.468 0 40 DIAB CN(Cc1cccc(Cl)c1)Cc1nc(-c2ccccc2)no1 8119941 RJIDWQSOEWHSFI-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CCC[C@@H](C)C(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732904 ZRFYWNWURPZVRC-YPMHNXCESA-N 309.431 4.017 0 40 DIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 9196501 ZJKVDAGUVQHTTD-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB Cc1cc(C)c2nc3c(cc2c1)CN(c1ccccc1)CCO3 13561483 VGNPQNZYUCDVJA-UHFFFAOYSA-N 304.393 4.251 0 40 DIAB Cc1ccc2[nH]cc(CCNCc3cccc4[nH]ccc34)c2c1 15423525 UNPPMLAZEANVMY-UHFFFAOYSA-N 303.409 4.290 0 40 DIAB c1ccc2c(CN3CCN(C4CCCCCC4)CC3)c[nH]c2c1 19889672 NKCLIJJJSAOWGC-UHFFFAOYSA-N 311.473 4.008 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)c(C)c1 20105538 VVZYCGFTFIRXTG-KRWDZBQOSA-N 311.425 4.340 0 40 DIAB Cc1nc2nc(-c3ccccc3)cc(-c3cc(F)cc(F)c3)n2n1 20800310 GDGSBUHDVJABRF-UHFFFAOYSA-N 322.318 4.045 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21 22526405 SRFHRDVXWQOWGU-KRWDZBQOSA-N 315.800 4.087 0 40 DIAB COc1ccc(OC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27580207 KJPIGWUXDRTPKE-UHFFFAOYSA-N 323.348 4.186 0 40 DIAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccccc1 30871327 NQKLQWWXGQBWMX-KRWDZBQOSA-N 317.429 4.326 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 43741634 VRSHMPIVJBOJEJ-INIZCTEOSA-N 319.404 4.404 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)NCc1ccccc1 58131396 FHIHRBGMROQCIZ-CVEARBPZSA-N 310.441 4.317 0 40 DIAB Cc1cc2occ(CC(=O)N[C@@H]3CCc4ccccc43)c2cc1C 58157547 UDOFPHQSJOEYFV-LJQANCHMSA-N 319.404 4.396 0 40 DIAB CN(Cc1ccccn1)C(=O)Nc1ccc(SC(F)F)cc1 62246002 YLEDCWDXGCLZTI-UHFFFAOYSA-N 323.368 4.060 0 40 DIAB C[C@@H](C(=O)N1CCCC[C@H]1c1nccs1)c1cccc(F)c1 72297166 GCNBLAABFYCHKV-DOMZBBRYSA-N 318.417 4.140 0 40 DIAB Cc1cc(CS[C@H](C)c2nc(-c3ccccc3)no2)no1 95418037 USSBMAQGLOYXEM-LLVKDONJSA-N 301.371 4.027 0 40 DIAB O=C(O)C1=C(C(=O)c2ccc(-c3ccccc3)cc2)CCCC1 95633954 RQFZTMBOJRGWQJ-UHFFFAOYSA-N 306.361 4.492 0 40 DIAB CCOCc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 96461436 WBOSTJBHLOTTEN-DOTOQJQBSA-N 302.418 4.020 0 40 DIAB O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)C1CCC1 96995350 FYWWZXHUBXRIRY-UHFFFAOYSA-N 309.413 4.269 0 40 DIAB [C-]#[N+]c1ccc2c(c1)CO[C@]2(CCCN(C)C)c1ccc(F)cc1 100041089 OQTWSGBVNVHGEM-HXUWFJFHSA-N 324.399 4.492 0 40 DIAB in-vitro O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1coc(-c2cccs2)n1 106520690 VNJTWKXMBWHIOS-RWMBFGLXSA-N 317.410 4.273 0 40 DIAB Cc1cccc(C(=O)Nc2cc(N3CCCCC3)c(C)cc2N)c1 216867074 KAWUYYYUXOTCHG-UHFFFAOYSA-N 323.440 4.128 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N(C)C2CCCCC2)o1 226303690 HPHNTCMLLKGMEN-UHFFFAOYSA-N 312.413 4.242 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)o1 226304679 YQHPHRCYJXBSGQ-OKILXGFUSA-N 312.413 4.240 0 40 DIAB CCc1cc(N)cc(Br)c1N1[C@@H](C)CCC[C@@H]1C 226315416 AUICPRMIIDMIOS-QWRGUYRKSA-N 311.267 4.361 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@H]4CO 253390324 XAFFBHRHOULDSM-JHSPYMOQSA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2ccccc2c1 352007 PDKNDNATKZBPSK-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1-c1ccccc1 411475 LEMNCDPTRIEGFF-LPHOPBHVSA-N 322.452 4.460 0 40 DIAB COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1 458618 HFLJUMCNZOHOTH-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB O=C(CC[C@@H]1CCCCC1=O)c1ccc(Br)cc1 538413 IEEQNZBQNPIJCS-NSHDSACASA-N 309.203 4.171 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 579665 BDYPBRXNSIXFDV-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB O=C(NCc1ccco1)c1[nH]c2ccccc2c1-c1ccccc1 1382837 OOPXDWILFLNRMQ-UHFFFAOYSA-N 316.360 4.358 0 40 DIAB Cc1noc(NC(=O)c2ccc(Cl)c(Cl)c2)c1Cl 1403435 MWELORGSKQVOFZ-UHFFFAOYSA-N 305.548 4.196 0 40 DIAB CCOC(=O)N1CCc2c(ccc3cc(OC)ccc23)[C@@H]1CC 1672619 CAZXJOOTWJFAJW-SFHVURJKSA-N 313.397 4.314 0 40 DIAB CC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 3221261 NPGFVIUAAMHPLI-UHFFFAOYSA-N 307.444 4.086 0 40 DIAB CCC(=O)Nc1ccc(-c2csc(N[C@H](C)CC)n2)cc1 3346859 KMIOAAYQRMAWTK-LLVKDONJSA-N 303.431 4.369 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1F 3608398 VZYGKJBVACOTDJ-UHFFFAOYSA-N 300.308 4.017 0 40 DIAB O=C(CCc1cccs1)Nc1ccc(OC(F)(F)F)cc1 4540154 KVECZTUQBHBIIS-UHFFFAOYSA-N 315.316 4.218 0 40 DIAB CCC(=O)O[C@]1(c2ccccc2)C[C@H](C(C)(C)C)CN(C)[C@@H]1C 4594130 HXMYADUYVHAIOZ-OXFYSEKESA-N 317.473 4.221 0 40 DIAB Cn1/c(=N\C(=O)c2cccc3ccccc23)sc2ccccc21 5691529 IAQNVSANTPGILL-FMQUCBEESA-N 318.401 4.134 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)o1 5824439 PUNIOQQVCJXPPX-NSHDSACASA-N 303.427 4.047 0 40 DIAB COc1ccc(CNC(=O)C2CCCCC2)c(C(C)(C)C)c1 6262660 DKKRUUATKRAOKO-UHFFFAOYSA-N 303.446 4.189 0 40 DIAB COC(=O)[C@@H](C)CCCC(=O)c1ccc2cc(OC)ccc2c1 6437103 JYUIVQGWHQQLSS-ZDUSSCGKSA-N 314.381 4.011 0 40 DIAB Cc1ccc(CNC(=O)Cc2coc3c(C)c(C)ccc23)cc1 6809906 UXYLSPOPFMUASX-UHFFFAOYSA-N 307.393 4.217 0 40 DIAB O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)C1CCCCC1 6813646 VWNYCICZOPTNOT-UHFFFAOYSA-N 320.396 4.144 0 40 DIAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCSC1=O 7441272 VBYCPDIGHWQSOQ-UHFFFAOYSA-N 320.458 4.041 0 40 DIAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 8086094 OAEXTXKXPYEEQD-GFCCVEGCSA-N 310.784 4.379 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 8478598 KFAYZXOCCYBUBU-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB Cc1sc(NC[C@H]2CCCO2)nc1-c1c[nH]c2ccccc12 8987587 DASSOEQXPAZYPW-GFCCVEGCSA-N 313.426 4.191 0 40 DIAB O=C(c1ccc2ccccc2c1)N(Cc1ccccn1)C1CC1 9117988 KNZZIXFJRIBSSR-UHFFFAOYSA-N 302.377 4.040 0 40 DIAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)c1 9895024 HWDHMEZOIJGIDP-JXOMPUQVSA-N 307.393 4.072 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1ccncc1 9979075 CEWXPPIJCKWQNW-SFHVURJKSA-N 321.355 4.132 0 40 DIAB CCC[C@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 12528200 MOZSMHKKKHEKPO-AWEZNQCLSA-N 319.408 4.215 0 40 DIAB Cc1ccc(Oc2ccccc2NC(=O)c2cc(C)no2)cc1 12929438 NNAJMFILDKNBOK-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB Cc1ccc(CSCCNC(=O)c2ccc(C)cc2C)cc1 17603519 HMGOUOJYPFKPEC-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3ccccc3)s2)c1 18702463 JGAWIEKARHBOBS-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1C 23157246 WPTJQRPJBCUVFJ-UHFFFAOYSA-N 319.452 4.107 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1cc2c(s1)CCC2 29830179 QFDDBZRYTQDHCW-UHFFFAOYSA-N 312.438 4.089 0 40 DIAB COC(=O)c1cc(Nc2ccccc2OC)c2cc(C)ccc2n1 38486804 BHJQOJIAMFPLRK-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB O=C(Nc1cccc(F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412092 WXTFDNAECSKUDR-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Cc1ccc(NC(=O)NC[C@@H](Nc2ccccc2)C(C)C)cc1 58053499 WXGITQSRPDDTSP-GOSISDBHSA-N 311.429 4.253 0 40 DIAB CCN(CCC(F)(F)F)C(=O)c1ccc(C(F)(F)F)cc1 69527578 BAJOLLIWGIXJOP-UHFFFAOYSA-N 313.241 4.120 0 40 DIAB O=C(c1cc2ccccc2o1)N(C[C@@H]1CCOC1)c1ccccc1 71805631 KUSWKSGETOKLRI-HNNXBMFYSA-N 321.376 4.116 0 40 DIAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2ccncc2)S1 72401060 PNSWEDHTYHAXOH-QPEQYQDCSA-N 317.320 4.078 0 40 DIAB CCOc1ccc(NCc2cc(Cl)c(O)c(OCC)c2)cc1 76275233 ZBXRZKHMGDQUIU-UHFFFAOYSA-N 321.804 4.455 0 40 DIAB O=C(Nc1cccc2ccccc12)[C@H]1CCOc2ccccc21 76764510 IEISIKJMGQXQSV-KRWDZBQOSA-N 303.361 4.345 0 40 DIAB CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1nccs1 83869860 AOMGBESPHNBYHF-HOTGVXAUSA-N 308.406 4.063 0 40 DIAB O=C(OCCSc1ccccc1)c1c(F)cccc1Cl 95466562 OBSRNACTUZXWAU-UHFFFAOYSA-N 310.777 4.428 0 40 DIAB Cc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1F 95916956 OFXGFAIFWGDGKJ-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB Cc1ccc(CC(=O)N(CC(F)(F)F)c2ccccc2)s1 95960143 PINPHADGEYYSHN-UHFFFAOYSA-N 313.344 4.195 0 40 DIAB F[C@@H](Oc1ccc(Br)cc1)[C@@H](F)C(F)(F)F 97437827 OWPBPPDASUOTOE-SFYZADRCSA-N 305.040 4.024 0 40 DIAB Cc1cnc([C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)s1 110626540 RXAYWWLQLSTREV-QSGSBWRWSA-N 302.443 4.409 0 40 DIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN 122079268 SNWGRADGFKNELG-IJMQKCTASA-N 305.506 4.109 0 40 DIAB CCCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 216269778 SYZDBUNVOPSRTA-UHFFFAOYSA-N 317.816 4.401 0 40 DIAB Cc1cccc(-c2nnc(-c3c(C)nc4ccc(Cl)cn34)o2)c1 216602649 UJCCQHZGLXGESZ-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1C 225075118 NLMSNAVXWHTAIS-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2cccs2)cc1 225703769 HOIXWSPTNYOTHK-QGZVFWFLSA-N 317.454 4.203 0 40 DIAB CCSc1ccccc1C(=O)NCCSC1CCCC1 225752270 QIHWNLRYSROJHS-UHFFFAOYSA-N 309.500 4.204 0 40 DIAB COc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)F 575243162 UPSQHYUJUKXPNY-UHFFFAOYSA-N 304.214 4.229 0 40 DIAB Cc1ccc2[nH]cc(CN3CCC[C@H](c4nccs4)C3)c2c1 2037849995 DTNBBGZBHCTBPI-AWEZNQCLSA-N 311.454 4.312 0 40 DIAB Cc1ccccc1NC(=O)CSc1nc2ccccc2s1 548522 WTBAMSYFKWTXMN-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2ccccc21 1469233 RPQDGGJOGWOPQR-ZDUSSCGKSA-N 315.800 4.005 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccnc2c(OC)cccc12 1687506 OEXGNZQIKVUSNR-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1OC 1952255 CHWSDBZVTPDRME-RMKNXTFCSA-N 317.772 4.009 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 2694431 FCQJRYIQFHLBRG-AEFFLSMTSA-N 319.489 4.204 0 40 DIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 5002772 OCLVJPDOOMNKJE-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB C[C@H]1C(=O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1 5706480 UVKYPKNCQJIGKV-KTGNWYGMSA-N 318.457 4.385 0 40 DIAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 5707318 FJEWZTKJWDXTTJ-QIIPPGSGSA-N 318.413 4.230 0 40 DIAB CCOc1ccc2nc(SC[C@@H]3CC3(Cl)Cl)[nH]c2c1 5817674 UHJUIVPFOFFAAE-QMMMGPOBSA-N 317.241 4.248 0 40 DIAB CCc1ccc2oc(C(=O)Nc3cc(C)ccc3C)cc(=O)c2c1 6811274 DMCYZQQZYSIYGX-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Fc1ccc(NC(=S)NCc2ccccc2F)cc1Cl 7642711 GZGLKITVYXZMPV-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Sc2ncccn2)cc1 7982547 ZZZRHSLYBBTDKB-QWHCGFSZSA-N 315.442 4.109 0 40 DIAB Cc1nc(Nc2cccc(Cl)c2Cl)sc1C(=O)O 8024640 IANRMIWUGREYIE-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C)c1 11636848 ZDQBCONMEMFBDH-GOSISDBHSA-N 313.397 4.108 0 40 DIAB CC(C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12985397 BENFVLQEZCBBCN-JAGHRAMZSA-N 305.421 4.056 0 40 DIAB Cc1ccc(C(=O)C(=O)Nc2cccc(OC3CCCC3)c2)cc1 23056607 GNUOYPSBQHGUOI-UHFFFAOYSA-N 323.392 4.138 0 40 DIAB Cc1cccc(Cc2cnc(NC(=O)C3CC3)s2)c1Cl 24755684 JNHUYFBDHUFXFU-UHFFFAOYSA-N 306.818 4.044 0 40 DIAB Cc1cc(Nc2nc(-c3ccc(Cl)s3)cs2)n(C)n1 24836380 LKQVLAVMULJEGM-UHFFFAOYSA-N 310.835 4.311 0 40 DIAB Cc1cccc(-n2ccnc2S[C@@H]2CCCCC2=O)c1C 26047260 IDXAZFOBJQMQGC-MRXNPFEDSA-N 300.427 4.093 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 28305012 DCHWQCVCOPGLNG-UHFFFAOYSA-N 321.380 4.116 0 40 DIAB CCCC[C@@H](CC)C(=O)Nc1cnn(Cc2ccccc2F)c1 32610529 ZVMMRDWGMHLGTB-CQSZACIVSA-N 317.408 4.225 0 40 DIAB Cc1ccnc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)c1 39892879 HFSVNLCQZRQWDN-UHFFFAOYSA-N 314.772 4.279 0 40 DIAB Cc1cc(C)c(NC(=O)NCCCOCC(C)C)c(Cl)c1 40024047 YUWHNKQTHRUZFD-UHFFFAOYSA-N 312.841 4.141 0 40 DIAB CCN(CC)[C@H](CNC(=O)Nc1ccc(F)cc1C)CC(C)C 40103542 DULULSBVESGHNZ-INIZCTEOSA-N 323.456 4.012 0 40 DIAB COC(=O)c1cc(Nc2ccccc2OC)c2cccc(C)c2n1 44165805 JASTXHMHVFSJDZ-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 58157642 UNVQYZKJPYPYHM-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)sc2c1 73740468 JDWQNSQATXLDJG-UHFFFAOYSA-N 303.770 4.403 0 40 DIAB CC(C)(C(=O)OCc1cccnc1Cl)c1cccc(Cl)c1 78833028 WXOPMPRFEDRHCL-UHFFFAOYSA-N 324.207 4.409 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3sc(Br)nc3C2)cc1 85389967 KVHPGJXZJFCAHV-JTQLQIEISA-N 322.227 4.127 0 40 DIAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)oc12 97256587 SMOFZTULECTCAF-ZDUSSCGKSA-N 309.365 4.241 0 40 DIAB Cc1ccc(C(=O)NCC23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 100871938 ZSDADPFIJFRFIV-QAQJPARQSA-N 317.860 4.303 0 40 DIAB COC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 109767736 SKPDWHULHJUATC-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCC1 113951112 UJDZOYDFZGGJAL-LJQANCHMSA-N 311.425 4.446 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 113960100 RHCQBVQFFCGXIC-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C 225651722 MZDPQVTXBWKDKT-SFHVURJKSA-N 307.434 4.318 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)o2)c(N)c1 226303760 MSQMGLJUOSWDJB-UHFFFAOYSA-N 312.413 4.242 0 40 DIAB O=C(NC1CCCCC1)c1c(Cl)cccc1Br 585099549 UMEKNRHBJXYCGB-UHFFFAOYSA-N 316.626 4.165 0 40 DIAB Fc1ccc(Oc2ccccc2)c(OCCN2CCCCC2)c1 585265235 JYBGSDWGBFHTGZ-UHFFFAOYSA-N 315.388 4.483 0 40 DIAB Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1F 1504250463 PZTQLYILXPCXHB-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB Cc1ccc(-c2nnc(-n3nc(C)cc3C)c3ccccc23)cc1 137327 VCJFLOUIZAJBAA-UHFFFAOYSA-N 314.392 4.408 0 40 DIAB Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2ccccc2F)c1 423792 CUQWIYWZHFQGHX-QGZVFWFLSA-N 301.386 4.221 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1C 516092 VXBMWJGEMAKCGY-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1C 2625001 UBPQNYWSVQUPEP-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)ccc2C)c1C 3519513 UZHVAHAOVGFCQK-UHFFFAOYSA-N 315.438 4.426 0 40 DIAB Cc1cc2cc(CNC(=O)CCCc3ccccc3)ccc2n1C 4061570 GZVQUJSJYNYQDQ-UHFFFAOYSA-N 320.436 4.126 0 40 DIAB O=Cc1cccc2c1[C@H]1c3ccccc3[C@@H]2c2c(C=O)cccc21 4557432 SAXUUZKIYGOXMA-VXKWHMMOSA-N 310.352 4.299 0 40 DIAB CCCC[C@@H](CC)CNC(=O)Cn1c(C)cc2ccccc21 4711064 VDIMHWWUHYQCDM-MRXNPFEDSA-N 300.446 4.282 0 40 DIAB Cn1ccnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 6369194 YRCDVNDQLRJZHQ-KRWDZBQOSA-N 308.406 4.136 0 40 DIAB Cc1ccc(NC(=O)c2cc3c(nc4ccccn43)s2)cc1 6508718 DMIPJPFJSALADD-UHFFFAOYSA-N 307.378 4.110 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1nc(-c2cccs2)cs1 6968504 GOTSEXHNIQWQPE-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB Cc1cccnc1NC(=O)c1ccc(SC(F)(F)F)cc1 9339368 ICLYBUNJJATEAJ-UHFFFAOYSA-N 312.316 4.254 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 10449478 DIIKOCRLBZEBOO-HNNXBMFYSA-N 311.450 4.455 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1Cl 11750014 XPHBXUSWPMFRAC-UHFFFAOYSA-N 320.219 4.455 0 40 DIAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)C(=O)O3 12222970 MVXLXNFCMWWYIW-UHFFFAOYSA-N 318.376 4.366 0 40 DIAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1 12933069 JZXYBINMWLKLTE-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1cc2ccccc2o1 12982285 SSPNBBJFIGWAHV-CYBMUJFWSA-N 316.360 4.472 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 14006941 LHWHPQNPIQGEOB-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(Cl)cc2)s1 19927585 IDPMIYRZFADNIZ-NOZJJQNGSA-N 324.858 4.272 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccccc1 20492772 GSSOVTBMACMJDF-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB CCCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1 21974210 NVHZXSLFDJZTJJ-UHFFFAOYSA-N 319.408 4.386 0 40 DIAB O=C(CCNc1ccc(Br)cc1)c1ccccc1 26959137 JRGVMWDDZUSPML-UHFFFAOYSA-N 304.187 4.134 0 40 DIAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)C1CCCCC1 28230460 XPYIVEFAENQHAA-UHFFFAOYSA-N 317.820 4.104 0 40 DIAB O=C(Sc1nccn1Cc1ccccc1)c1ccc(F)cc1 32109757 WWQGGHFXHHMVBD-UHFFFAOYSA-N 312.369 4.003 0 40 DIAB CN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 32512299 WTIUZIKYZLCUBC-SFHVURJKSA-N 319.408 4.246 0 40 DIAB Cc1cc(C(=O)CSc2ccc(Br)cc2)c(C)[nH]1 35054781 JGTFKBIZXZPWNY-UHFFFAOYSA-N 324.243 4.369 0 40 DIAB Cc1cc(Br)ccc1NC(=O)N1CCC(C)CC1 40103640 JDFWFYDAIWXBDY-UHFFFAOYSA-N 311.223 4.021 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N1CCCCCC1 44596099 YVIZYABKROXFHH-UHFFFAOYSA-N 300.229 4.329 0 40 DIAB Cc1noc(C)c1NC(=O)CCc1cccc(Cl)c1Cl 58190919 DBYCUKRVOQLNCC-UHFFFAOYSA-N 313.184 4.170 0 40 DIAB CC(C)CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CC1 71854439 BGPWLYIDRGDKOM-UHFFFAOYSA-N 301.361 4.346 0 40 DIAB c1ccc(CC[C@@H]2CCCN2c2cnc3ccccc3n2)cc1 84528498 HEBWQBKNRHHKBS-KRWDZBQOSA-N 303.409 4.231 0 40 DIAB COC[C@H](N[C@@H]1C[C@H](C)Sc2ccccc21)c1ccco1 95968848 SYQUNUCFCQBUAN-CFVMTHIKSA-N 303.427 4.182 0 40 DIAB Cc1cccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1 102048208 UJLHEHJSCJIHPJ-LJQANCHMSA-N 316.408 4.259 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1C 113960736 HYJXMLFFGZCWBO-OXQOHEQNSA-N 323.436 4.265 0 40 DIAB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)s1 222568578 YRFNEPXNVNFBJU-CQDKDKBSSA-N 315.467 4.041 0 40 DIAB COc1cccc(N(C)C(=O)c2ccc(Cl)cc2Cl)c1 222945246 HWLLOAKRQBWYIM-UHFFFAOYSA-N 310.180 4.279 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cn1 225905511 WSYKBZLTAPPJNW-SFHVURJKSA-N 322.449 4.184 0 40 DIAB Cc1nnc(SCc2cncc(F)c2)n1[C@@H]1CCC[C@@H](C)C1 330031550 ADTMGPGLWBRDHC-IAQYHMDHSA-N 320.437 4.164 0 40 DIAB CSc1ccccc1C(=O)N1CCc2sc(Cl)cc2C1 575616606 RHRXJKOXVDLXII-UHFFFAOYSA-N 323.870 4.322 0 40 DIAB CN(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775971246 PSODJFPLQWUISU-OALUTQOASA-N 310.441 4.000 0 40 DIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1 96580 LILYNSRYQIPAPH-UHFFFAOYSA-N 306.390 4.161 0 40 DIAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1 203493 YURSTMZQCGYFHR-UHFFFAOYSA-N 319.389 4.315 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)c(C)c1 570453 OKSZDHXSKARVCQ-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB COc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 1387525 UOQKUUTWLBEAIW-UHFFFAOYSA-N 320.270 4.450 0 40 DIAB COP(=O)(OC)O[C@@H](C(=O)c1ccccc1)c1ccccc1 1689476 IWZCVLNJYYISAM-MRXNPFEDSA-N 320.281 4.028 0 40 DIAB CC(C)c1cc(N2CCN(C)CC2)cc2c1[nH]c1ccccc12 2596439 VYKZIDJHEXFDIE-UHFFFAOYSA-N 307.441 4.196 0 40 DIAB CCSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 2626119 BXOSWVNXKLLIHX-ZDUSSCGKSA-N 310.422 4.118 0 40 DIAB CCOc1cc(NC(=O)c2ccccc2C)ccc1OC(F)F 2796021 FWFDBTMBELKMKX-UHFFFAOYSA-N 321.323 4.247 0 40 DIAB O=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCCC1 3262092 JPIKAGRWLZYIBW-UHFFFAOYSA-N 324.833 4.022 0 40 DIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)s1 3328368 DQOMHXWBOSARSW-UHFFFAOYSA-N 322.238 4.164 0 40 DIAB CCn1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2ccccc21 5266148 KUONCEIJEOCEDV-UHFFFAOYSA-N 322.412 4.371 0 40 DIAB COc1ccc(NC(=S)Nc2ccccc2SC)cc1 6897181 OEXRMNBDDKWJIE-UHFFFAOYSA-N 304.440 4.226 0 40 DIAB Cc1ccc(NC(=O)Cc2cccc(F)c2)c(Br)c1 8944157 CGRMYUSJWBVWCZ-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB CCOc1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 9816262 LDLXFMPEYMZWFW-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB Cc1cccc(C)c1OP(=O)(O)Oc1c(C)cccc1C 9970227 APOXBWCRUPJDAC-UHFFFAOYSA-N 306.298 4.478 0 40 DIAB CCCCN(CCCC)CCCOc1ccc(C(=O)O)cc1 11962651 SPPUXULYIUEQMC-UHFFFAOYSA-N 307.434 4.056 0 40 DIAB in-vitro CCc1ccccc1NC(=O)C(C)(C)Oc1ccc(F)cc1 12553285 FKUICLAAEZIMTC-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1Cl 12815352 UDBCRVGFTYBTQA-AWEZNQCLSA-N 303.814 4.307 0 40 DIAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)s2)cc1 13549530 WSRIJVXZCZARLU-UHFFFAOYSA-N 310.382 4.158 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3C)n[nH]2)cc1 14266344 CATFRIOEAPSFMW-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB CC(=O)Nc1ccc(Nc2ncnc3ccsc23)cc1Cl 14328005 LEEAADVKAJNXGB-UHFFFAOYSA-N 318.789 4.047 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)C(Cl)(Cl)Cl 16401169 PYTMBSDYMPHFOQ-UHFFFAOYSA-N 306.498 4.014 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20037957 OBHLQLRENPLITF-UONOGXRCSA-N 317.816 4.293 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)c1ccccc1 20158266 UOFWOSJLJJXUPH-GFCCVEGCSA-N 310.372 4.035 0 40 DIAB Cc1nc(NC(=O)c2cc(Cl)cc(Cl)c2)sc1C 21359737 XWQBBVBJRLERMF-UHFFFAOYSA-N 301.198 4.319 0 40 DIAB CC(C)C(=O)Nc1ccc(Nc2ncnc3ccsc23)cc1 32853439 NXWUQEGDCQPHTI-UHFFFAOYSA-N 312.398 4.029 0 40 DIAB O=C(N1CCC[C@H](C(F)(F)F)C1)C12CC3CC(CC(C3)C1)C2 40461969 JFVRFBLQOQDPTQ-IXUJDMMCSA-N 315.379 4.004 0 40 DIAB Cc1ccc(NC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1 45951925 BXKWPNNOEDRYFA-GFCCVEGCSA-N 320.339 4.479 0 40 DIAB COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccsc1 46031268 DJIFXFMNHPORKF-INIZCTEOSA-N 316.426 4.264 0 40 DIAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 59351888 SXEDCPZETSPCHA-SRXBQZRASA-N 315.800 4.239 0 40 DIAB Cc1cc(N(C)Cc2ccccc2)ncc1[C@H](O)c1ccccc1 72223399 AFUNFNXSBFZBPJ-OAQYLSRUSA-N 318.420 4.108 0 40 DIAB CC(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 72353795 ZNLNPEVBSHKHTI-FQEVSTJZSA-N 322.452 4.015 0 40 DIAB CCc1nn(C)cc1CN[C@H](C)c1cc(Cl)ccc1Cl 92375664 PABRGWQGIBRWNY-SNVBAGLBSA-N 312.244 4.140 0 40 DIAB CCc1cnccc1C(=O)N1CCCc2cc(Cl)cc(C)c21 95468157 VOTOOUZYCCGECR-UHFFFAOYSA-N 314.816 4.199 0 40 DIAB CCN(CC(F)(F)F)C(=O)CC12CC3CC(CC(C3)C1)C2 97263548 FUAPKJZUMWILFO-UHFFFAOYSA-N 303.368 4.004 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(Br)c1 101373954 GBPRVFZFHHLXPS-IJLUTSLNSA-N 308.219 4.132 0 40 DIAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1 102729404 OCZCJYXEFOMHMI-INIZCTEOSA-N 310.353 4.206 0 40 DIAB CCc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 223698752 YPYWWQVHTXKEDT-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB COC1(C(=O)Nc2ccc(OC(C)C)cc2)CCC(C)CC1 225639649 WICUYDZOEDIMJC-UHFFFAOYSA-N 305.418 4.008 0 40 DIAB CCNc1cc(C)c2oc(-c3cc(OC)cc(OC)c3)nc2c1 226283636 HZGDHMHEZVAEKQ-UHFFFAOYSA-N 312.369 4.252 0 40 DIAB CCN(CC)CC(=O)N1c2ccccc2Sc2ccccc21 214 BPWOKDWTZDTHNX-UHFFFAOYSA-N 312.438 4.158 0 40 DIAB O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccccc1 301811 ZWCLIAUJIDVIDD-IBGZPJMESA-N 300.361 4.458 0 40 DIAB c1ccc(-c2nnc(-c3cccnc3)nc2-c2ccccc2)cc1 494065 JPZBMJQHBVWLBN-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB CCOc1cnc(-c2c(-c3c(F)cccc3Cl)noc2C)o1 1404523 OGXOOSZCWUJVNQ-UHFFFAOYSA-N 322.723 4.496 0 40 DIAB CN[C@H](C)[C@@H](Nc1cc(OC)cc2cccnc12)c1ccccc1 1656112 LNRSSOUKXAJCEX-AUUYWEPGSA-N 321.424 4.005 0 40 DIAB O=S(=O)(c1ccccc1)c1ccccc1Nc1ccccc1 3065547 ZSVKFQDYFLOTJD-UHFFFAOYSA-N 309.390 4.263 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 3373187 AROMFYUZCXOHMV-LJQANCHMSA-N 309.409 4.281 0 40 DIAB Cc1ccc(C)c(SCC(=O)Nc2ccc(F)cc2F)c1 3499274 SQIOMHASGNHERV-UHFFFAOYSA-N 307.365 4.312 0 40 DIAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(N=O)c2ccccc21 4616592 TVSOZIYRALRJMJ-FZKQIMNGSA-N 309.369 4.061 0 40 DIAB Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(Br)c1 4997299 GBPRVFZFHHLXPS-TUAOUCFPSA-N 308.219 4.132 0 40 DIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CCC[C@H]12 5103716 FIYKELYEIQYSKX-STOLFRJFSA-N 304.474 4.349 0 40 DIAB Nc1nccc(/C(=C\c2ccccc2)Oc2ccc(Cl)cc2)n1 5946184 WQJGMXWYAIGQFY-SFQUDFHCSA-N 323.783 4.289 0 40 DIAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC 9059996 PHQGXCWQOAIZAU-UHFFFAOYSA-N 324.428 4.407 0 40 DIAB Cc1ccc([C@@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 9087820 VMAXSTGDCWQRBZ-KRWDZBQOSA-N 306.434 4.283 0 40 DIAB Cc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1 10110624 QORFMTPLIBNOLT-MRXNPFEDSA-N 313.466 4.225 0 40 DIAB Cc1ccc2[nH]c(SCc3nc4ccccc4nc3C)nc2c1 12551487 RIMNXUBSBNRBGI-UHFFFAOYSA-N 320.421 4.415 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccn1 12687404 ZTHHEXXARPJBNI-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1csc(C)n1 12808456 HKSBDDILEWHBGR-NNTXTVRGSA-N 318.467 4.062 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCc2ccccc21 12949596 ALPVNEZSRGLDDI-IXYLRAAXSA-N 309.453 4.192 0 40 DIAB Cc1[nH]c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2c1C 12982523 GDNCSYSFSRSTOP-ZDUSSCGKSA-N 306.409 4.318 0 40 DIAB CCCCC/C=C/C[C@@H](O)[C@H](O)CCCCCCCC(=O)O 13336178 XEBKSQSGNGRGDW-JSMQFAGNSA-N 314.466 4.050 0 40 DIAB endogenous,in-man Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 13648211 BJMKKGHWNZZYLT-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB C[C@@H]1C[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@@]23O[C@@H]2[C@H](C)C[C@@H]13 14984485 YQSKKSGGHGINRZ-UVFFFCKLSA-N 304.474 4.013 0 40 DIAB C[C@@H]1CCCN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)[C@@H]1C 19496687 RYNAYTUYWPFNAP-CKEIUWERSA-N 313.445 4.035 0 40 DIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccccc2)c1C 19558093 CQMFLRPIMZNIIU-KRWDZBQOSA-N 322.412 4.019 0 40 DIAB CSc1ccc([C@H](C)NC(=O)c2cc(F)cc(F)c2)cc1 20029689 ZTOGDIUQKCYYMT-JTQLQIEISA-N 307.365 4.178 0 40 DIAB Fc1ccc(-n2nc(Cl)nc2-c2cccc(Cl)c2)cc1 22125829 RFVYMBPBHNLHFQ-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB Clc1ccc(CSc2nnc(-c3cccnc3)o2)s1 22225819 RRQRSSQRXQQGTR-UHFFFAOYSA-N 309.803 4.139 0 40 DIAB Cc1cc(C(=O)CSC2=Nc3ccccc3CS2)c(C)[nH]1 22416963 UGRHGBVXBBYDGC-UHFFFAOYSA-N 316.451 4.482 0 40 DIAB N[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 22588090 QHUYQHXMNCGJAS-VCJJEUFXSA-N 306.453 4.445 0 40 DIAB C[C@H]1Cc2ccccc2N1CCC(=O)Nc1ccccc1Cl 28710143 OIGZAPHHGUNUCB-ZDUSSCGKSA-N 314.816 4.120 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 30856751 SFCNLEVOCGSTNB-LJQANCHMSA-N 323.436 4.184 0 40 DIAB Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 38056020 JJPBYGQJFYZTID-UHFFFAOYSA-N 300.745 4.156 0 40 DIAB in-vitro c1ccc(C[n+]2cn(COC3CCCCC3)c3ccccc32)cc1 39029426 YFMPGPLBZBXXIO-UHFFFAOYSA-N 321.444 4.284 0 40 DIAB CC(C)c1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41122832 RQKJSGUSWILLBV-OAHLLOKOSA-N 319.449 4.217 0 40 DIAB Cc1nc2ccccc2nc1CSc1nncc2ccccc12 44156760 WASORNULRFGVQE-UHFFFAOYSA-N 318.405 4.174 0 40 DIAB COc1cc(Br)c2oc(-c3ccccc3F)nc2c1 45920270 WNUGOCIVZBTUQX-UHFFFAOYSA-N 322.133 4.405 0 40 DIAB COc1ncccc1NC(=O)c1sc2ccccc2c1Cl 49055995 DOJXHBMHKQSKBW-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Cc1nn(C)c2c1[C@H](c1ccc(C(C)C)cc1)SCC(O)=N2 49548088 RGRQRMSWCXZZBE-INIZCTEOSA-N 315.442 4.276 0 40 DIAB CC(C)Cc1noc(CN(C)[C@@H](C)c2ccccc2Cl)n1 52162660 CFFLMLBJRMWOIY-LBPRGKRZSA-N 307.825 4.115 0 40 DIAB CCn1c(Sc2cnc3ccccc3n2)nc2ccccc21 58583164 ZHMIAUVBIJRHAU-UHFFFAOYSA-N 306.394 4.151 0 40 DIAB Cc1cccnc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72211162 UWNUHLOHOVMKGA-QGZVFWFLSA-N 310.397 4.254 0 40 DIAB CC(C)(C)[C@H](NC(=O)c1ccncc1Cl)c1ccccc1 73847196 VUSAJSGNAGCBMU-OAHLLOKOSA-N 302.805 4.252 0 40 DIAB C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(-n2ccnc2)cc1 78395104 AOIJVIFDXAUOFV-OAHLLOKOSA-N 309.388 4.204 0 40 DIAB Cc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)nc1 225495981 GBTNYXPABISHSW-MRXNPFEDSA-N 313.470 4.464 0 40 DIAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1ccccc1 226356011 MJZNBIORVJBGAK-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1 408719044 HIPVGZSDOOKVBO-UHFFFAOYSA-N 307.736 4.294 0 40 DIAB CCc1cnccc1-c1noc(C[C@H](C)c2ccccc2C)n1 547150191 CWINMFYUFBNRRM-AWEZNQCLSA-N 307.397 4.349 0 40 DIAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccoc1 575413988 DRIDBKLBPJQZAY-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB Clc1ccc(Sc2nc3ccccc3n3cnnc23)cc1 1384947 ZWPPEKVCEXTVJA-UHFFFAOYSA-N 312.785 4.082 0 40 DIAB COC(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 2536611 QWTDJJZWIBJNQO-UHFFFAOYSA-N 322.360 4.236 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cccc(OC(F)F)c1 3275149 MYLATEUEVXHVRU-UHFFFAOYSA-N 320.320 4.150 0 40 DIAB CCOC(=O)c1sc(SCC)c2c1CC(C)(C)CC2=O 4286363 JDZHCMKRPNLTTD-UHFFFAOYSA-N 312.456 4.192 0 40 DIAB O=C(CSc1ccccn1)n1c2c(c3ccccc31)CCCC2 4676744 LNVORCFNTRYRCA-UHFFFAOYSA-N 322.433 4.348 0 40 DIAB Cc1ccc(F)cc1NC(=O)COc1c(C)cc(Cl)cc1C 5688179 QEMRPPCXDXRMCR-UHFFFAOYSA-N 321.779 4.422 0 40 DIAB CC(C)Oc1ccc(C(=O)NCCSC2CCCCC2)cc1 8040892 LEIMVYWLOWJRSZ-UHFFFAOYSA-N 321.486 4.270 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(Cl)cc1 8084583 UNSSPXXIXJKWRM-CYBMUJFWSA-N 319.857 4.180 0 40 DIAB Clc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 9197907 DUYYXDUWWOIRPU-UHFFFAOYSA-N 301.802 4.417 0 40 DIAB Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1 11885800 SVHRHIAVTBGMID-UHFFFAOYSA-N 309.390 4.413 0 40 DIAB CCC[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1 12147324 DCCUKBWOXFCISN-CQSZACIVSA-N 317.458 4.011 0 40 DIAB Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 12679028 DMSUQMWEYKZPOX-HNAYVOBHSA-N 308.425 4.063 0 40 DIAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12914724 MYEKEAIZZKUUGF-UHFFFAOYSA-N 324.355 4.286 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)NCC12CC3CC(CC(C3)C1)C2 14014135 IMMYLHCNFHWPQB-HILYYZTDSA-N 324.468 4.364 0 40 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c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCC2)cc1 72215971 XADLMMXPZFBVHA-LJQANCHMSA-N 307.441 4.019 0 40 DIAB CC(C)CN(C)C(=O)Nc1ccccc1N(C)C1CCCC1 84510899 IFSRVQWBYJOVEZ-UHFFFAOYSA-N 303.450 4.185 0 40 DIAB c1cncc(-c2csc(Nc3cnc4ccccc4c3)n2)c1 92197205 ZGVFPYDPZQRETN-UHFFFAOYSA-N 304.378 4.497 0 40 DIAB CCO[C@@H](C)c1nc(C(=O)N2CCC[C@H]2C2CCCC2)cs1 95399639 WYRSGARHNWUARO-WFASDCNBSA-N 322.474 4.035 0 40 DIAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 95917317 JBTKVSZHHCTWTC-UHFFFAOYSA-N 318.328 4.439 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 103109270 LAATVQURGJINLT-AAVRWANBSA-N 323.889 4.373 0 40 DIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106526927 OZLZGUXDBDHJOA-TTZDDIAXSA-N 301.430 4.154 0 40 DIAB Cc1csc(C(=O)NCc2cncc(-c3ccsc3)c2)c1 206942367 FHHSSESSAWSDRZ-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB CCc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223252195 OWGOFLMAMMVOGN-HNNXBMFYSA-N 307.437 4.158 0 40 DIAB CN(CCCC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225004966 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C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)c[nH]1 32341961 CLAHWVHGCMTUJN-SECBINFHSA-N 319.817 4.111 0 40 DIAB CC(=O)Nc1ccc(NC(=O)NCCCCCCC(C)C)cc1 40023771 AGQJHSXCIQZVPS-UHFFFAOYSA-N 319.449 4.373 0 40 DIAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1cccc(C(F)(F)F)c1 43879486 JWKYUZAQKFDNFR-CMPLNLGQSA-N 314.303 4.169 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CCCCCC1 44880117 LGQRKZOCGJBUTC-QGZVFWFLSA-N 303.446 4.300 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C 44900422 SEHSDRSYSXKUJF-SFHVURJKSA-N 311.425 4.086 0 40 DIAB COc1cc(Br)c2oc(-c3ccc(F)cc3)nc2c1 45920288 VHNMCZKLCNPTMW-UHFFFAOYSA-N 322.133 4.405 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1ccc[nH]1 48367307 QPXVXVXEHVHMBF-CQSZACIVSA-N 309.196 4.299 0 40 DIAB CC1CCC(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)CC1 72328835 ZNXJPRYPZZLKAC-UHFFFAOYSA-N 317.820 4.039 0 40 DIAB CC12C[C@@H]3C[C@@H](C1)CC(CNC(=O)c1ccc(F)cc1)(C3)C2 100916496 UFZNEEQLMUNJPZ-IHWOHKJGSA-N 301.405 4.162 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)cc1F 113971028 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HYSVMVTWWRPBEP-UHFFFAOYSA-N 310.422 4.038 0 40 DIAB CN(C)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 1703261 VIYHZLKFDRLOIF-UHFFFAOYSA-N 317.432 4.231 0 40 DIAB Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2C)c1 3426509 YSLKJCCXSUJKBS-UHFFFAOYSA-N 303.789 4.364 0 40 DIAB CCc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 4271864 MGGFLXHEAGVYFL-UHFFFAOYSA-N 307.422 4.393 0 40 DIAB COC(=O)c1cccc(CSc2ccc3ccccc3n2)c1 5627593 KFESUGFGKRVWCE-UHFFFAOYSA-N 309.390 4.314 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 6763998 AQRDCUPITNPXGL-ZWNOBZJWSA-N 300.324 4.406 0 40 DIAB C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 7222360 UHHOAALKKLOJMA-JTQLQIEISA-N 309.196 4.433 0 40 DIAB CC(=O)[C@@H](C)OC(=O)CSc1cccc2cccc(Cl)c12 7981102 HAJUHWXCHHADAT-LLVKDONJSA-N 322.813 4.106 0 40 DIAB CC(C)Sc1ccccc1C(=O)NCCSC(C)(C)C 8050924 XGECOIDUTWUMTC-UHFFFAOYSA-N 311.516 4.449 0 40 DIAB O=C1C[C@@H](c2ccccc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 8994947 GMNFJWKJGLQLQF-AWEZNQCLSA-N 323.783 4.204 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 9816815 UVRHLUQUTATTCO-GFCCVEGCSA-N 319.788 4.145 0 40 DIAB Cc1cnc(NC(=O)c2ccc(SC(F)(F)F)cc2)s1 10626371 RGSDSYMFMXDEDS-UHFFFAOYSA-N 318.345 4.316 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(F)cc1 11595227 XWDFVELGQAHBIL-UHFFFAOYSA-N 311.765 4.142 0 40 DIAB C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3nccs3)c2C1 14461903 INEJHAFQSOILJA-LLVKDONJSA-N 323.421 4.068 0 40 DIAB COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1 15084681 ONJTVDKKZPYERG-CQSZACIVSA-N 313.422 4.110 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C)ccc1OC 20485434 BFHTUWGUMBJWJT-INIZCTEOSA-N 313.397 4.108 0 40 DIAB O=C1CCCN1c1ccc(-c2csc(-c3ccco3)n2)cc1 25204743 KYDXYJUVLJXMNO-UHFFFAOYSA-N 310.378 4.197 0 40 DIAB CCCCCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 29726430 HWUVGVSWKBKAOS-SFHVURJKSA-N 311.429 4.051 0 40 DIAB c1ccc2c(c1)SCC[C@H]2NCc1ccc(-n2ccnc2)cc1 32735858 RIOQZDDVGMOIMD-GOSISDBHSA-N 321.449 4.199 0 40 DIAB CC(C)c1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=O 37326842 BWDMGOCEMILONJ-UHFFFAOYSA-N 316.710 4.480 0 40 DIAB CC(C)c1ccc(SCC(=O)N[C@H](C)Cc2ccco2)cc1 40120374 YOAAMCGNRCJXLF-CQSZACIVSA-N 317.454 4.243 0 40 DIAB C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2O1 41155824 LCAXNOJYZSSGKV-CQSZACIVSA-N 309.409 4.412 0 40 DIAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc2cc[nH]c2c1 43031094 KWLGPFXIPUSORA-LLVKDONJSA-N 314.335 4.279 0 40 DIAB CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 59843198 QWDMMRWTELJNFP-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB CCN(C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72212803 AXHJWLDWGDEWNG-LJQANCHMSA-N 309.457 4.265 0 40 DIAB CC(C)N(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CC1 84597205 XJFPMBZKYYMJES-UONOGXRCSA-N 311.347 4.208 0 40 DIAB CS[C@H]1CCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 96409418 JCLIORCNMVOCKF-MNOVXSKESA-N 317.376 4.109 0 40 DIAB Cc1nnc(CSCCCc2ccc(C(F)(F)F)cc2)o1 96467884 XQIKWAJJZBBGCW-UHFFFAOYSA-N 316.348 4.263 0 40 DIAB C[C@@]1(CC(=O)O)[C@H]2CC[C@@]3(C)CCC[C@@H]3[C@@H]2CC[C@@H]1CC(=O)O 103213847 PVBHAUBUOVCYIN-YVKNDGFWSA-N 322.445 4.185 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223197545 AMRHYSNNVIQSGC-CVEARBPZSA-N 323.436 4.128 0 40 DIAB Cc1nc(-c2cccc(NC(=S)NCC(C)C)c2)cs1 225179362 JWDVRHVQVCZVIG-UHFFFAOYSA-N 305.472 4.061 0 40 DIAB CC[C@H](C)NC(=S)Nc1c(C)cc(Br)cc1C 225192524 ACCCWELEGRBNTR-JTQLQIEISA-N 315.280 4.151 0 40 DIAB Cc1ccccc1[C@H](C)NC(=S)Nc1c(F)cccc1F 225753662 KYBGTOSYICQVOL-NSHDSACASA-N 306.381 4.321 0 40 DIAB CO/C([O])=C1/SC=C[C@@H]1OCc1cccc(C(F)(F)F)c1 521838257 PIKXXLVWWFVXDO-NSHDSACASA-N 317.308 4.097 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2oc1=O 145353 YNBJZAQZOBHUPV-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccccc1 538659 BKCLCCAXJXPQSI-UHFFFAOYSA-N 323.421 4.213 0 40 DIAB Cc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1C 573502 HJZMNCYBKPKQRC-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB CCCCc1c(SCC(=O)O)nc2ccc(C)cc2c1C 2340854 KZCPEVLJWAACMT-UHFFFAOYSA-N 303.427 4.371 0 40 DIAB c1cc2c(cc1OC1CCCCC1)c1c3n2CCN[C@@H]3CCC1 4794858 UNOCVRGWLFGNQA-GOSISDBHSA-N 310.441 4.333 0 40 DIAB CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 4798342 LTLDIMVGDAUTKD-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1ccc(Cl)cc1 5066483 ZUAIXFPKIUQWRR-SJLPKXTDSA-N 310.784 4.457 0 40 DIAB O=C(Nc1ccc(Br)cc1Cl)C1CCCC1 6260108 HFSKNGQSLNBTDW-UHFFFAOYSA-N 302.599 4.231 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)ccc1F 10373035 VTPVTRNBTIYSIQ-UHFFFAOYSA-N 317.791 4.331 0 40 DIAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccs1 12771606 SBCBHLRAIJRTBV-NSHDSACASA-N 323.845 4.436 0 40 DIAB CCCOc1ccc(NC(=O)c2ccccc2)c2cccnc12 15840886 JTJHXSSCKBZYOF-UHFFFAOYSA-N 306.365 4.276 0 40 DIAB Cc1cccc(OCCCC(=O)NCC2(c3ccccc3)CC2)c1 21524182 XNTOANLXPMYPAY-UHFFFAOYSA-N 323.436 4.002 0 40 DIAB COc1ccc(-c2nc(Cl)n(-c3ccc(Cl)cc3)n2)cc1 22125337 OPFLVLHVVRJXRK-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB COc1cccc(CCCc2ccc(Cl)cc2)c1C(=O)O 28540946 BQIIYASLNCRKCG-UHFFFAOYSA-N 304.773 4.222 0 40 DIAB O=C(c1ccc2ccccc2n1)N(Cc1cccs1)C1CC1 30303894 KIOHODPXIPZWSO-UHFFFAOYSA-N 308.406 4.101 0 40 DIAB O=C(c1ccccc1F)N(Cc1ccc2cc[nH]c2c1)C1CC1 32094838 KMHOONGXHJFRLH-UHFFFAOYSA-N 308.356 4.112 0 40 DIAB O=C(CCc1ccco1)Nc1ccc2c(c1)Cc1ccccc1-2 32995993 JTOFVPAVPTYTCL-UHFFFAOYSA-N 303.361 4.422 0 40 DIAB CC(C)c1nnc(Sc2nc3ccccc3s2)n1C1CC1 37133008 WUZKRKPYBVTOOJ-UHFFFAOYSA-N 316.455 4.497 0 40 DIAB O=C(NCc1cccc(Br)c1)c1ccccc1Cl 42238956 VMLYVXVCHPNUFD-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB CN(C(=O)c1ccccc1OCc1ccccc1)C1CCCC1 44849253 NALMQFXALNWZOW-UHFFFAOYSA-N 309.409 4.280 0 40 DIAB CC(C)CCO[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 58017464 VHERMOQOBYRODS-MNOVXSKESA-N 303.855 4.030 0 40 DIAB CC(C)N(CC(=O)N[C@H](C)c1ccccc1Cl)C1CCCC1 65475413 KMEZCLJSZQIBKL-CQSZACIVSA-N 322.880 4.170 0 40 DIAB CCSc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cn1 69370174 RZMIFHYHTFVQNB-CABCVRRESA-N 316.401 4.075 0 40 DIAB Cc1cc(N2CCCCC2)nc2sc3c(Cl)ncnc3c12 71282551 RBJRJQVVSFCQSW-UHFFFAOYSA-N 318.833 4.192 0 40 DIAB O=C(CCC1CCCC1)NCc1ccccc1OC(F)(F)F 71813030 IRFKFSTZVOYLHM-UHFFFAOYSA-N 315.335 4.172 0 40 DIAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2sccc2C)cc1 74518703 LUWCPGBRRLNNGG-HZPDHXFCSA-N 315.438 4.015 0 40 DIAB CCOc1cc(C=O)c(Cl)cc1OCc1ccccc1F 95094978 JPQQKLJEWSRFPB-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB CC(C)Cc1ncc(CN[C@H]2c3ccccc3C[C@@H]2C)s1 97020286 VXBVVYIZJQXZAU-SCLBCKFNSA-N 300.471 4.365 0 40 DIAB CCc1cc(/C(O)=C\c2ccc3ccccc3n2)c(O)cc1O 100742243 CSMLOQOMPLQKDF-VCHYOVAHSA-N 307.349 4.265 0 40 DIAB biogenic C[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 102427082 WOLSOMJOZHEZHZ-OWTLIXCDSA-N 311.347 4.260 0 40 DIAB Cc1ccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)cc1 102800224 MTCUFVSFIUGLBJ-IBGZPJMESA-N 316.408 4.259 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C)ccc1C 222897923 XEIASAGQYHYZGK-IBGZPJMESA-N 309.409 4.119 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(C)cc2[C@H](C)CC1(C)C 260622207 RVKSKGVWWFXSCP-RHSMWYFYSA-N 303.446 4.285 0 40 DIAB CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2ccccc2)c1C 362323713 ZHKGLCFGPKPTRR-QWHCGFSZSA-N 300.406 4.045 0 40 DIAB Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3cc(C)n(C)n3)c2C)c1 502472559 NLDGYAWLRBRFCV-HNNXBMFYSA-N 323.444 4.013 0 40 DIAB O=C1CCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139819 NVSZUEYKAZDGCT-ZJOUEHCJSA-N 305.421 4.024 0 40 DIAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccccc1 554960 JESGOQZMDKGIDS-HNNXBMFYSA-N 322.389 4.333 0 40 DIAB C=C(c1c(C)cccc1OC(C)=O)c1c(C)cccc1OC(C)=O 1707792 QXIYNDLLVFGQTO-UHFFFAOYSA-N 324.376 4.216 0 40 DIAB COc1ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c(O)c1 4643796 PHVCTCMUHCZPPA-UHFFFAOYSA-N 316.744 4.237 0 40 DIAB CCOc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 5121386 WNSUMDQBJSDHPE-UHFFFAOYSA-N 319.426 4.010 0 40 DIAB Cc1ccccc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl 5420752 UDGQBQHSPHHUAT-UHFFFAOYSA-N 314.694 4.315 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1C(F)(F)F 5825604 YZXHZXFUHOUOCU-NSHDSACASA-N 323.314 4.205 0 40 DIAB O=C(CSC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 7417621 ONIHLDPOOKDUTG-UHFFFAOYSA-N 301.455 4.327 0 40 DIAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 7636261 CVFGSGLQJLQTLM-HNNXBMFYSA-N 321.159 4.478 0 40 DIAB CCc1ccccc1NC(=O)c1cc(F)ccc1Br 7808096 JIMSBCQGVCOMEA-UHFFFAOYSA-N 322.177 4.403 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2nc1C 8706237 HUIADPNFYAWNBZ-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB CCCC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1 12137011 PDSMMOHMLCETNO-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB C[C@H](CNC(=O)COc1ccc2ccccc2c1)c1ccccc1 13012158 FZSYGEOVJHXHAX-MRXNPFEDSA-N 319.404 4.139 0 40 DIAB c1ccc(Cn2ccnc2CN2CCSc3ccccc32)cc1 26899690 BQQGFTBRVZUSQO-UHFFFAOYSA-N 321.449 4.044 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 30861491 LUOIUCBMHIZSDS-UONOGXRCSA-N 317.816 4.293 0 40 DIAB C[C@H](NC(=O)CCOc1ccccc1Cl)c1cccs1 32816156 NWUXMILKTYZWLG-NSHDSACASA-N 309.818 4.048 0 40 DIAB Cc1cc(C)n(CCNc2nc3c(C(C)C)cccc3s2)n1 36657572 PNJMHDVYBYVOIL-UHFFFAOYSA-N 314.458 4.345 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccccc1-c1cccs1 37132607 RMAWANCDAYHRAI-UHFFFAOYSA-N 312.394 4.201 0 40 DIAB O=C(CCC1CCCC1)Nc1cccc(N2CCCCC2=O)c1 38698556 HBXRSGYYDGUUIT-UHFFFAOYSA-N 314.429 4.112 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c(C)c1 38833373 ANICCYRPIYJMLQ-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB CC(C)Oc1ccccc1NC(=O)N1CCc2ccccc2C1 48193620 JKPDDNVMWGLOCL-UHFFFAOYSA-N 310.397 4.064 0 40 DIAB O=C(c1ccc2ncccc2c1)N1CCCCc2ccccc21 58005990 YWIDLVXFSHWSCN-UHFFFAOYSA-N 302.377 4.218 0 40 DIAB CCN(C(=O)C1CC1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 69779764 VDNNDKXBMVFOBQ-LJQANCHMSA-N 308.425 4.046 0 40 DIAB Cc1cc(Br)c(OC(C)C)c(Br)c1 90413148 CGCHJWUPIIIFGW-UHFFFAOYSA-N 308.013 4.307 0 40 DIAB C[C@@]1(c2nc(CCCc3ccccc3)no2)CC1(Cl)Cl 95963381 LHRBHWZRXFXSOK-AWEZNQCLSA-N 311.212 4.080 0 40 DIAB Cc1noc(C)c1CCCN[C@@H]1CCSc2ccccc21 95969130 ZHJRLHNEVOUQKL-MRXNPFEDSA-N 302.443 4.051 0 40 DIAB O=C(N[C@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1 95976203 VGYDBIQPMFTFIF-LLVKDONJSA-N 313.310 4.049 0 40 DIAB CCC(=O)NCC12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100486652 IHTDNNSQYYKQEL-FBIZOPLVSA-N 311.469 4.359 0 40 DIAB Fc1cccc2ncnc(NCCc3cccc(Cl)c3)c12 108199549 HLBNTDIOBSMMHB-UHFFFAOYSA-N 301.752 4.077 0 40 DIAB c1ccc(-c2nsc(N[C@H]3CCO[C@@H]3c3ccccc3)n2)cc1 195533514 QJBYPLUWEPHYEQ-JKSUJKDBSA-N 323.421 4.147 0 40 DIAB O=Cc1cn(C(=O)OCc2ccccc2)c2c(Cl)cccc12 199814578 FTTPFYWBKCTXDE-UHFFFAOYSA-N 313.740 4.292 0 40 DIAB C[C@@H](CNC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 224124718 XPJIHENXTMGYNK-KRWDZBQOSA-N 322.452 4.210 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1 225712734 JMVFRHZUAILXIF-HNAYVOBHSA-N 319.445 4.399 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251055200 TWZWHAWDMUHRRH-YRBFXIGRSA-N 315.457 4.056 0 40 DIAB c1ccc([C@H](CN[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C2CC2)cc1 576591992 ZONGNLZNJUCIRF-IVAOSVALSA-N 313.485 4.365 0 40 DIAB Cc1ccc2oc(-c3ccc(Br)c(N)c3)nc2c1 31388 DZDXXYQOQQSHMR-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 354417 MPJRDZGBNJINKI-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCc3ccccc32)c1 509013 PUOBDEJIJCPMSR-UHFFFAOYSA-N 323.436 4.477 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 580730 ZKDQDUXWENMQCD-LLVKDONJSA-N 324.207 4.077 0 40 DIAB CCC(CC)c1nnc(NC(=O)c2cccc(Cl)c2)s1 804638 DFSNLHAJBWAIQL-UHFFFAOYSA-N 309.822 4.347 0 40 DIAB COc1ccc2cc(-c3n[nH]cc3C)ccc2c1Br 1388041 UZDJXJDZRDGCSP-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB O=C1NN=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl 1397716 LDIYOSADHQQGOG-ZDUSSCGKSA-N 319.191 4.001 0 40 DIAB CCCC(CCC)NCCOC(=O)[C@H](CC)c1ccccc1 1710534 RELYJPKUNBLODF-GOSISDBHSA-N 305.462 4.282 0 40 DIAB CCCC(CCC)C(=O)NCCc1c[nH]c2cc(OC)ccc12 2126886 XFOIOLGFEYYALI-UHFFFAOYSA-N 316.445 4.052 0 40 DIAB biogenic O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)cc1 3207905 OQDSOHYNCNSWJH-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB Cc1cccc(-c2nc(C)c(CCNC(=O)C(C)(C)C)s2)c1 4392500 WFYWQRFFGJEKBD-UHFFFAOYSA-N 316.470 4.132 0 40 DIAB COc1ccc(-c2cn3cc(-c4ccccc4)nc3n2C)cc1 4678386 NZBYOUQKTQKTEL-UHFFFAOYSA-N 303.365 4.015 0 40 DIAB Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1Cl 6152684 MUJXPVIHXWOTHG-UHFFFAOYSA-N 324.833 4.125 0 40 DIAB O=C1c2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2)o1 6242900 BXTPKNLRDTWTFF-OAHLLOKOSA-N 322.389 4.026 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CC1 6329659 HBKUOVJERALWMD-UHFFFAOYSA-N 313.209 4.465 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7957223 KYBOSKQJQLPZRO-WFASDCNBSA-N 301.361 4.394 0 40 DIAB Cc1occc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280617 ATCFDZXVRXWOGH-UHFFFAOYSA-N 323.377 4.217 0 40 DIAB Cc1ccc(-c2nc(C)cc(Nc3cccc(C(=O)O)c3)n2)cc1 8702975 VFSRMAHKXCQLKP-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(F)c1 9677664 KMVARWIRRCKQCX-MRXNPFEDSA-N 301.386 4.098 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13708289 SFKCPNLPQVEUHP-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB Cc1cc(C)c2c(C)c(C(=O)NCc3csc(C)n3)oc2c1 15832316 ZXQJLJCBFVMXEB-UHFFFAOYSA-N 314.410 4.053 0 40 DIAB S=C(Nc1ccccc1)Nc1ccc(N2CCCCC2)cc1 16220625 BFMGNYLLTXMLFU-UHFFFAOYSA-N 311.454 4.486 0 40 DIAB Nc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 20193932 LTPUHDOGSCNPCR-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB O=C(CCc1ccccc1)Nc1ccc(F)cc1Br 20430214 BAINZFNQUPDTHL-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 20461137 OOYRXUHCIRCXOH-UHFFFAOYSA-N 319.857 4.481 0 40 DIAB CC[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 21392689 YEHDTEZPMOEVOP-KDOFPFPSSA-N 311.450 4.013 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(F)ccc1F 22567135 QKMQJVYDHGMFFV-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23954771 CTKVQCOIVDSSET-CVEARBPZSA-N 323.436 4.210 0 40 DIAB Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cn1 31803667 DBUOXKQHDIHDIL-INIZCTEOSA-N 300.427 4.113 0 40 DIAB CCCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622922 XNRMSYRPLAAQJP-UHFFFAOYSA-N 321.380 4.451 0 40 DIAB COC(=O)c1c(/C=C/c2ccc(Cl)s2)cccc1OC 35973608 JSUHMXZNGNTSTN-VOTSOKGWSA-N 308.786 4.367 0 40 DIAB Cn1ccc2c(C(=O)Nc3nc4ccccc4s3)cccc21 36354119 RSIGULVJXKMYNH-UHFFFAOYSA-N 307.378 4.040 0 40 DIAB Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccccc1 38651788 KEHASBZLAZZTCH-UHFFFAOYSA-N 318.405 4.366 0 40 DIAB COC[C@@H](C)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 40161602 YHIPYKZXLGQYGJ-SECBINFHSA-N 316.348 4.276 0 40 DIAB Cc1cc(CSc2ncc(C(F)(F)F)cc2Cl)no1 48397353 RHEXPDVJVHMKML-UHFFFAOYSA-N 308.712 4.343 0 40 DIAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc[nH]1 57897390 BWCXGFXSLHLDHO-UHFFFAOYSA-N 304.440 4.136 0 40 DIAB Cc1cc(C)cc(NC(=O)CSCc2ccccc2F)c1 58685515 GVMFNQLSZLBPCV-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1noc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 63447538 DBLLRXZOKJBQCO-UHFFFAOYSA-N 320.392 4.452 0 40 DIAB COCc1ccccc1NC(=O)Nc1cccc([C@@H](C)OC)c1 72282544 GAWNCOSXPOPUTP-CYBMUJFWSA-N 314.385 4.184 0 40 DIAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2)C1 72404278 GUBWZKWNQDXVJR-CQSZACIVSA-N 309.394 4.117 0 40 DIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633951 LDLXKVUCPJXHNF-MSOLQXFVSA-N 308.377 4.427 0 40 DIAB C[S@@](=O)c1ccc(CNc2ccc(-c3ccccc3)cn2)cc1 97147939 DTJOMLOSCLHKTH-QHCPKHFHSA-N 322.433 4.098 0 40 DIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(Cc2ccncc2)cc1 104495916 CYRXBNXWVLIHDR-GUDVDZBRSA-N 320.436 4.437 0 40 DIAB CCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 196479839 VRGDYSGFSNBMMO-UHFFFAOYSA-N 317.816 4.449 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCC[C@H](C)C1 216866630 FEVPBAIAYZMUKA-AWEZNQCLSA-N 323.440 4.066 0 40 DIAB Cc1ccc(C(=O)Nc2cc(N3CCCCC3)c(C)cc2N)cc1 216867459 VZDWQWLMYUWENJ-UHFFFAOYSA-N 323.440 4.128 0 40 DIAB COc1ccc(Cl)cc1C(=O)NC(C)(C)Cc1ccccc1 225042382 VNANICBMRICWNH-UHFFFAOYSA-N 317.816 4.100 0 40 DIAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1 225087420 SWQKSGZTWJBQAJ-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225637282 GNPHZALVPCVCAE-IFXJQAMLSA-N 319.445 4.318 0 40 DIAB CC(C)Oc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 225680721 KLJQHZRYGFIXOP-UHFFFAOYSA-N 321.779 4.448 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1 225687407 MHXWDGHIWDYNKS-GOSISDBHSA-N 307.434 4.255 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 226266042 RLBSMLNMUGAPNI-OAHLLOKOSA-N 323.440 4.208 0 40 DIAB Brc1ccc(-c2nnc(Cc3ccccc3)o2)cc1 41695 JFBSIECKBRXIKV-UHFFFAOYSA-N 315.170 4.090 0 40 DIAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 483182 JMCDFPHJKJDGRR-JLHYYAGUSA-N 323.392 4.249 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC(F)F)cc1 3353813 IFSLGZNWNGFQLX-INIZCTEOSA-N 317.335 4.095 0 40 DIAB Cc1cccc(-c2nn(-c3ccccc3Cl)cc2C(=O)O)c1 3395024 RPVPRXSRLYNONQ-UHFFFAOYSA-N 312.756 4.199 0 40 DIAB Cc1cc2occ(CC(=O)N3CCc4ccccc43)c2cc1C 3417671 DYPUKCVRBQHSHI-UHFFFAOYSA-N 305.377 4.181 0 40 DIAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccs1 4471758 JGHIAFLYTGHNLE-WJDWOHSUSA-N 305.358 4.246 0 40 DIAB C[C@H]1CCc2sc(C(=O)Nc3ccc(F)cc3F)cc2C1 7781389 FADPNTLSSPCENZ-VIFPVBQESA-N 307.365 4.403 0 40 DIAB O=C(CCc1ccsc1)Nc1ccc(Br)cc1 8263009 PLNCXQQYIPBWTL-UHFFFAOYSA-N 310.216 4.082 0 40 DIAB CCOc1cc(Sc2ccc(C)cc2)c(C=O)cc1OC 8729789 UIODIINXOZZXIQ-UHFFFAOYSA-N 302.395 4.366 0 40 DIAB COc1cccc2cc(C(=O)Nc3cccc(Cl)c3)oc12 8960585 WSDRCIFWKGJFPH-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB O=C(Nc1onc2c1CCCC2)c1ccc(-c2ccccc2)cc1 8976539 WJCNPFUTRQBFOH-UHFFFAOYSA-N 318.376 4.473 0 40 DIAB Cc1ccccc1NC(=O)CCCc1nc(-c2ccccc2)no1 9196488 KPKDFOTVKATRHG-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1F 11428744 IHFIUAPAOIBBTR-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc2ccccc2c(=O)s1 12274435 KEHYZTVOHFVARZ-UHFFFAOYSA-N 323.417 4.385 0 40 DIAB Cc1cc(C)c2nc(C)cc(NC(=O)Cc3cccs3)c2c1 12421873 NFFNUBPNYLHYOW-UHFFFAOYSA-N 310.422 4.403 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1Cl 13709616 SAJQWYXIUIZNIM-JTQLQIEISA-N 310.180 4.399 0 40 DIAB Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 15833335 OXPVPPYLQFMMJI-UHFFFAOYSA-N 318.829 4.398 0 40 DIAB CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 19927349 XHWUWAGKYIOKNU-QGZVFWFLSA-N 301.386 4.167 0 40 DIAB Cc1ccc(-c2nnc([C@@H](C)N(C)Cc3cccs3)o2)cc1 23805090 CJNFFRJUOHOSND-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB O=C(Nc1c(F)cccc1F)c1ccccc1C(F)(F)F 28210979 LDLMVHODIQWJPM-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CC(C)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292942 GRZRSQXTDJTDCG-UHFFFAOYSA-N 306.768 4.063 0 40 DIAB O=c1ccc2cc(Cc3ccccc3)c(Br)cc2o1 30714817 DSPYHVHBXYJKJX-UHFFFAOYSA-N 315.166 4.146 0 40 DIAB Cc1ccc(CN(C)C(=O)COc2ccc(C(C)C)cc2)cc1 30869420 CEIYGGGAGCHSHX-UHFFFAOYSA-N 311.425 4.156 0 40 DIAB CCc1cccc2c(C3=CCN(C(=O)C(C)(C)C)CC3)c[nH]c12 32754799 KBDAHJSBWZIIEJ-UHFFFAOYSA-N 310.441 4.392 0 40 DIAB CCOc1ccccc1NC(=O)c1cccnc1SC(C)C 32933507 FGADNBHBUXTQEQ-UHFFFAOYSA-N 316.426 4.233 0 40 DIAB O=C(Nc1cccc(F)c1)Nc1cccc(Br)c1 38076472 AWGCZGFBKKPXIL-UHFFFAOYSA-N 309.138 4.232 0 40 DIAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccn1 48348309 HFTMEAOBAWEXCK-UHFFFAOYSA-N 310.184 4.052 0 40 DIAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccccc1C)n2C 49728954 KAGILYIQNRRSJO-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB O=C(CSCc1ccccc1F)NC1CCCCCCC1 58685525 IWTWATVOKBVXIB-UHFFFAOYSA-N 309.450 4.288 0 40 DIAB O=C(O)c1cc(-c2ccc(Cl)cc2)nc2onc(C3CC3)c12 62710597 VPWCURVURMCATF-UHFFFAOYSA-N 314.728 4.119 0 40 DIAB C[C@@H](OC(=O)Cc1cccs1)c1nc2ccccc2s1 95347410 CBXIQODGXVQZSJ-SNVBAGLBSA-N 303.408 4.205 0 40 DIAB CCN(Cc1ccncc1)c1cc(Br)ccc1F 95915624 KQJYMWBIKRSOIH-UHFFFAOYSA-N 309.182 4.010 0 40 DIAB CN(C(=O)c1ncncc1Cl)c1ccccc1-c1ccccc1 95971593 ADIOXNNQJARFQO-UHFFFAOYSA-N 323.783 4.074 0 40 DIAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccsc1 97083045 KLWYQRVMGTXTCY-CQSZACIVSA-N 318.446 4.237 0 40 DIAB c1ccc2oc(NCc3ccc(Oc4cnccn4)cc3)nc2c1 97231816 DODRGBKTHFEJIF-UHFFFAOYSA-N 318.336 4.022 0 40 DIAB CCc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 113832346 YTPRCLPNMGURKX-FOWTUZBSSA-N 309.390 4.490 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)NCCSC2CCCC2)cc1 224373313 SEVIVVNKOLTZDW-CQSZACIVSA-N 323.527 4.268 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1 225624145 MEBZATSGDQEAAS-GOSISDBHSA-N 307.434 4.236 0 40 DIAB CCOc1ccccc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 253473070 RFHODCBTTYAIES-AWEZNQCLSA-N 323.392 4.193 0 40 DIAB OCc1sc2cc(Br)ccc2c1C(F)(F)F 396266474 MPBDODYQSVGLJA-UHFFFAOYSA-N 311.122 4.175 0 40 DIAB CC(C)Cn1c(Sc2ccccn2)nnc1-c1ccccc1 409116978 MSMAOUGYGAURDG-UHFFFAOYSA-N 310.426 4.147 0 40 DIAB c1ccc2c(c1)cnn2[C@@H]1CCN(c2nc3ccccc3s2)C1 511317629 YXQTYWGBHSZXIH-CQSZACIVSA-N 320.421 4.097 0 40 DIAB FC(F)C1(c2nc(-c3ccc4[nH]ccc4c3)no2)CCCC1 570126040 CZPLHFIVLNVTPN-UHFFFAOYSA-N 303.312 4.295 0 40 DIAB CC(=O)Oc1ccc2occ(C(=O)c3cc4ccccc4o3)c2c1 36624 PORSTBIOCFIVSN-UHFFFAOYSA-N 320.300 4.335 0 40 DIAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 362322 IKTZATIYHLZIOR-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1 422789 QKRHAQCEPFJVCU-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(C)C 574881 SQFMWXLQYGAQHP-MHWRWJLKSA-N 323.392 4.223 0 40 DIAB O=c1oc2ccccc2cc1-c1csc(Nc2ccccn2)n1 784498 FKYLOFDETIXNHJ-UHFFFAOYSA-N 321.361 4.055 0 40 DIAB CCCCc1c(SCCC(=O)O)nc2ccccc2c1C 2304509 UHLGMYVRSGJKSX-UHFFFAOYSA-N 303.427 4.453 0 40 DIAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=O 3372715 JCVNKBACDVSPGX-UHFFFAOYSA-N 303.576 4.013 0 40 DIAB Cc1ccc(CNC(=O)CCCc2nc3ccccc3s2)cc1 3554550 BPJSZVFXIULZQO-UHFFFAOYSA-N 324.449 4.244 0 40 DIAB CCCCC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4062978 SHLZIRLNWVFVKV-UHFFFAOYSA-N 311.410 4.487 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 4065273 PDURHSVIPFCADB-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB O=C(NCc1ccco1)c1ncoc1-c1ccc2ccccc2c1 5002073 KYHILUQFCNMKTN-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB COc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 5353395 MSGOISFBWFNHJB-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB CCCCOc1ccc(C(=O)NC(C)C)cc1OCCCC 5466347 SCAYIZSZVBIAQN-UHFFFAOYSA-N 307.434 4.183 0 40 DIAB CCc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504904 WXJFQWYPCLAGHD-UHFFFAOYSA-N 308.425 4.492 0 40 DIAB Cc1nc2ccc(NC(=O)c3cc4c(s3)CCC4)cc2s1 7670222 UZRVGLRZERJGHI-UHFFFAOYSA-N 314.435 4.407 0 40 DIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)cc1 8480517 ZKRIHDQYKFPOPX-INIZCTEOSA-N 317.360 4.021 0 40 DIAB CSc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 11232219 CGAPHORSZMURAA-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1 11914503 QWPMCVVEFIIKKG-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)s1 12854058 YOWFCXRQGPKXOT-GFCCVEGCSA-N 307.415 4.163 0 40 DIAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)oc2c1ccc1ccccc12 14201168 LZGSEVOQMKTRTL-STQMWFEESA-N 323.392 4.144 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 20048136 FRFCDSXXZKJZNV-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20138815 XWLPHJZFUOXQBQ-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB COc1ccc(Cl)cc1NC(=O)C1(c2ccc(F)cc2)CC1 21695729 NYNYRDXHMFWXFA-UHFFFAOYSA-N 319.763 4.158 0 40 DIAB Cc1ccsc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 32931244 PRHSWGVHCLCOQN-CYBMUJFWSA-N 303.427 4.335 0 40 DIAB CCc1n[nH]c(SCc2ccccc2Oc2ccccc2)n1 40038998 ZXYRNCYAAGUMGW-UHFFFAOYSA-N 311.410 4.452 0 40 DIAB COC(=O)c1ccc(-c2cc(C)c(Br)c(C)c2)o1 45888683 HEDKBOIPJLPUNA-UHFFFAOYSA-N 309.159 4.113 0 40 DIAB CCc1ccc(NC(=O)c2cc(-c3ccccc3C)on2)cc1 46085634 IWXRJPYHMRLDJO-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]1c1ccsc1 52803638 FNRJSDNSXYYKNR-BLLLJJGKSA-N 318.417 4.051 0 40 DIAB COc1ccc2cc(C(=O)N(C)c3cc(C)cc(C)c3)[nH]c2c1 65861568 ZBXIEEVPDSVZHC-UHFFFAOYSA-N 308.381 4.070 0 40 DIAB CCCN(C(=O)Cc1c(C)noc1C)[C@H](CC)c1ccccc1 71800846 GDYNYLQHJZGMFG-GOSISDBHSA-N 314.429 4.224 0 40 DIAB CC(C)Oc1ccccc1C[S@@](=O)Cc1cccc(F)c1 78556128 MUHGZBYRYFXXIX-OAQYLSRUSA-N 306.402 4.062 0 40 DIAB CCOc1ccc(-c2nc(-c3cccc(C)c3)n[nH]2)cc1OCC 85385204 LNALWVLSQVUXBZ-UHFFFAOYSA-N 323.396 4.245 0 40 DIAB CC(=O)c1ccc(O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1F 89126826 GTQUCLZJMWXCCS-NSHDSACASA-N 305.349 4.454 0 40 DIAB CC(C)c1ccc(NC(=O)NCC2(O)CCCC2)c(C(C)C)c1 95948545 YSVUMJRHKQAHTM-UHFFFAOYSA-N 318.461 4.360 0 40 DIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 102999268 HYTKPAJFUFMASA-LUXYFRNMSA-N 310.441 4.041 0 40 DIAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1C 225441791 ZHHHBEFNYHUGRC-KRWDZBQOSA-N 301.817 4.458 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)CCCC2 225629613 ZFPMUYWUVSZNCO-HXUWFJFHSA-N 305.421 4.373 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1conc1-c1ccccc1 225872489 KESCAELZVYYZNB-OAHLLOKOSA-N 320.392 4.093 0 40 DIAB Cc1cccc(C(=O)NCCSCc2ccccc2Cl)c1 408577345 ZMWDMEHHBPHJNA-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCC[C@H]2NC[C@@H]2CCCOC2)cc1 553770359 OXGVKAREAZRYSV-FFZOFVMBSA-N 317.473 4.126 0 40 DIAB FC(F)C1(c2nc(-c3nccc4ccccc34)no2)CCCC1 585084006 RZLNCYWMBFWYGP-UHFFFAOYSA-N 315.323 4.362 0 40 DIAB O=C(CSc1nc2ccccc2s1)Nc1ccc(F)cc1 185800 RGAPNWPSQQRTQO-UHFFFAOYSA-N 318.398 4.166 0 40 DIAB CC(C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 251172 UXJCDSNRRKMGRL-UHFFFAOYSA-N 301.773 4.166 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 579746 HRKLMMSGNCTGRI-JTQLQIEISA-N 310.180 4.399 0 40 DIAB Cc1cc2nc(-c3cccc(Cl)c3)cc(C(F)(F)F)n2n1 1394528 GVDYLHZMBNUKMI-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)c1 3380547 BUUGISAGYGFVPL-KRWDZBQOSA-N 320.436 4.111 0 40 DIAB Cc1cccc(CN2CCC(N(C)Cc3ccccc3)CC2)c1 4351159 IOBQRLGTNWEFBX-UHFFFAOYSA-N 308.469 4.091 0 40 DIAB COc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1 4678990 DHMOISAEYOUHRW-UHFFFAOYSA-N 321.424 4.325 0 40 DIAB O=c1sc2ccccc2n1CCOc1ccc2ccccc2c1 5234815 BVLSABSNRWCDQY-UHFFFAOYSA-N 321.401 4.295 0 40 DIAB C[C@@H](Nc1ncnc2sccc12)c1ccc(-n2ccnc2)cc1 5265226 YLNDAAYBAFAVRY-GFCCVEGCSA-N 321.409 4.050 0 40 DIAB Cc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)cc1C 5317818 LTMVWXOCOVSFMC-UHFFFAOYSA-N 318.442 4.320 0 40 DIAB O=C(Cc1ccccc1)NC(c1ccccc1)c1ccccc1 5462264 FNOLFYLSHDEZII-UHFFFAOYSA-N 301.389 4.135 0 40 DIAB Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccccc2)c(C)c1 5552480 BECVHLRYOOJYGP-MDZDMXLPSA-N 324.449 4.138 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1F 6793033 PIUGYDCSWBTUJA-UHFFFAOYSA-N 318.298 4.006 0 40 DIAB Fc1ccccc1NC(=S)N1CCC(c2ccccc2)CC1 6864106 RYUGWQKRBQAFIJ-UHFFFAOYSA-N 314.429 4.402 0 40 DIAB Fc1ccc(NC(=S)NCCSCc2ccccc2)cc1 7971047 SKSKVWMNUKHGBG-UHFFFAOYSA-N 320.458 4.046 0 40 DIAB Cc1cc(CNC(=O)CCc2ccc(Cl)cc2)ccc1F 10552682 YWRXFFVQIWQJIP-UHFFFAOYSA-N 305.780 4.037 0 40 DIAB CCN(CC)C(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12909672 ZQMBVKHYZYJDJL-UHFFFAOYSA-N 319.474 4.088 0 40 DIAB C[C@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)C1 13097640 SQEALPKCAIFTQP-NSHDSACASA-N 323.849 4.215 0 40 DIAB Cc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2)c1 13674528 OYSOIZJSKXIQRN-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB Cc1ccc(Cl)cc1Nc1nc2ccccc2c2nnc(C)n12 16347731 VCAAZBBLHCVCMA-UHFFFAOYSA-N 323.787 4.291 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@H](c2ccc(F)cc2)CC3=O)cc1 17055231 DGDBZEBTBOPYQK-HNNXBMFYSA-N 320.367 4.233 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1F 20104584 JPGYVZAFZMVJHY-HNNXBMFYSA-N 305.324 4.069 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1 25297296 LEXRPFNOSFQCSR-ZDUSSCGKSA-N 319.351 4.396 0 40 DIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(F)c1 27143587 LNUZKMUYYZXCHH-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB Cc1sc(-n2cccc2)c(C(=O)N[C@@H](C)c2ccco2)c1C 39978550 ONBGZQPVRWZJEX-LBPRGKRZSA-N 314.410 4.240 0 40 DIAB Cc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 41097563 MLLGWMQXHRCZGP-YOEHRIQHSA-N 310.447 4.334 0 40 DIAB O=C(c1cccs1)N(Cc1ccsc1)Cc1ccccn1 44445931 YQGVBQBTBIROPG-UHFFFAOYSA-N 314.435 4.047 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C)c(C)c2)c(C)c1 44900098 MDUHXRMSEBPBGU-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCCOc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1OC 48374931 GRZDUJWLKRAHBB-LSDHHAIUSA-N 317.429 4.018 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1ccsc1 49550189 AUOJDROXBOHKKP-LBPRGKRZSA-N 307.444 4.124 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2C)cc1 51354268 FOWYFQFDLVHVJK-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB COc1ccc(N)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 57340344 BCXPTRRJOMQIIK-IZZDOVSWSA-N 310.397 4.053 0 40 DIAB O=C(NCc1ccc(F)c(Cl)c1)c1cc2c(s1)CCCC2 57416275 VICDMARLZYLFSD-UHFFFAOYSA-N 323.820 4.349 0 40 DIAB Cc1ccc(N(C)C(=O)c2sc(C(C)(C)C)nc2C)cc1 60352063 IGJHBGMPSPMYLD-UHFFFAOYSA-N 302.443 4.334 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccccc2)cc1 60871890 WVSYAGSEVDJBIR-OAHLLOKOSA-N 313.466 4.360 0 40 DIAB c1ccc(CN2CCCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 72215949 GTWVOMKEKDIKRC-FQEVSTJZSA-N 321.468 4.409 0 40 DIAB Cc1cnc2ccccc2c1N1CCO[C@@H](c2ccc(F)cc2)C1 76093058 BPHDXWMFWVUIIF-LJQANCHMSA-N 322.383 4.260 0 40 DIAB Clc1ncnc2oc(-c3ccc(Br)cc3)cc12 89224399 VTVXSAJCMNXOGN-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB C[C@H](CSC(C)(C)C)Nc1ccc2c(c1)NC(=O)CS2 97037148 GFHCQBSPAFEKEV-SNVBAGLBSA-N 310.488 4.063 0 40 DIAB COCc1ccc([C@H]2CCCN2C(=O)Nc2cscc2C)o1 97161755 AFQXMLBTUOSJKP-CQSZACIVSA-N 320.414 4.165 0 40 DIAB Cc1ccccc1O[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225093057 JBWJJSFYETYUBQ-HNNXBMFYSA-N 324.298 4.089 0 40 DIAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 225446060 QXCNWTVQALQZQE-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225633598 MPXSFKCAJYAVAM-DNVCBOLYSA-N 319.445 4.255 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225727993 RJYOUBYQFSLFSC-AWEZNQCLSA-N 307.434 4.316 0 40 DIAB CCCCOc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1 226274547 HJSFHCXPXDMGHK-CQSZACIVSA-N 313.397 4.171 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)c(F)c1 253472150 JURSWDJLQXRYSK-LLVKDONJSA-N 315.319 4.072 0 40 DIAB O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 126429 STVVIBPFTMJJIZ-UHFFFAOYSA-N 311.362 4.185 0 40 DIAB Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(C)(C)C)cc1 345677 RXRPXLCSHUWHJE-UHFFFAOYSA-N 317.454 4.297 0 40 DIAB O=C(O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 3165305 PJSNDFWBSLYBJB-UHFFFAOYSA-N 306.346 4.210 0 40 DIAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 3581257 ZITWAEWOXWUDFE-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@@H]1CCCC[C@H]1Cc1ccco1 4940672 KXEYICQCKZUATP-FJHQEINZSA-N 309.409 4.211 0 40 DIAB Cn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc21 5265708 YEONMIVDKVGTFC-UHFFFAOYSA-N 313.788 4.153 0 40 DIAB CC[C@](C)(CCNC(=O)C1CCCCC1)c1ccccc1OC 5305876 LSSZGJATAMKLDX-HXUWFJFHSA-N 317.473 4.450 0 40 DIAB O=C(/C=C/c1ccco1)N(Cc1ccco1)Cc1cccs1 5937638 ILWSYJMLNCXPJU-BQYQJAHWSA-N 313.378 4.176 0 40 DIAB CCC(C)(C)NC(=O)c1cc(Br)ccc1Cl 6305982 CBZDIRJXUHJGLO-UHFFFAOYSA-N 304.615 4.021 0 40 DIAB Cc1csc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)n1 7968945 KOXXJBZZVATNHN-ZDUSSCGKSA-N 308.834 4.483 0 40 DIAB Cc1ccc(C)c(CSCc2nc3ccsc3c(=O)[nH]2)c1 9585648 WPGQXWFHCAKHCO-UHFFFAOYSA-N 316.451 4.035 0 40 DIAB O=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1 10110158 LAISMBVOKOLHEW-UHFFFAOYSA-N 319.857 4.181 0 40 DIAB CSc1ccc(NC(=O)COc2ccccc2Cl)cc1 11229153 QFZOLPMYIWXKDC-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB O=C(/C=C\c1ccccc1)OCc1cc(-c2ccc(F)cc2)on1 12725948 ZBHUHJFCZGHJJS-WDZFZDKYSA-N 323.323 4.237 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc2ccccc2s1 12818746 IDFYPJDLVOEFOJ-ZDUSSCGKSA-N 322.433 4.207 0 40 DIAB C[C@H]1CCCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2 14163067 SULJZIWIHKLCNG-LBPRGKRZSA-N 313.422 4.322 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1ccccc1OCCC(C)C 19736405 PHEYIMCVITXETQ-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB O=C(Nc1cccc(F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 24961188 YQNIDWNOVHGFRG-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n(C2CCCC2)n1 28241900 CYJQMGVGQUGQFD-IRXDYDNUSA-N 309.413 4.049 0 40 DIAB Cc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1 28404190 VWDIGGTUEOTGNB-UHFFFAOYSA-N 311.406 4.066 0 40 DIAB O[C@H](c1ccccc1)[C@@H](NCCc1ccccc1)c1ccccc1 31962123 SLMTURVZZPYFOH-FCHUYYIVSA-N 317.432 4.294 0 40 DIAB CC(C)Cn1c(Cc2ccc(Cl)cc2Cl)n[nH]c1=S 32579450 YUGLOPILABVCQI-UHFFFAOYSA-N 316.257 4.494 0 40 DIAB O=C(c1ccc(-c2ccc3ccccc3c2)s1)N1CCOCC1 36357944 LAKUYPRXHBPZCW-UHFFFAOYSA-N 323.417 4.041 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nc2c(s1)CCCCC2 40034660 RMNDWLBFADQZHZ-XQQFMLRXSA-N 304.459 4.177 0 40 DIAB Cc1nc2ccc(NC(=O)N(C)C3CCCCC3)cc2s1 40103277 ZNIDRCKLTUERCV-UHFFFAOYSA-N 303.431 4.401 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(C)cc1 44903838 JATUBNRLMQZNOK-GOSISDBHSA-N 311.425 4.119 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(N(C)C)c(C)c2)C1(C)C 58406876 KORLCIVXVZRRHX-WBVHZDCISA-N 300.446 4.238 0 40 DIAB CCc1ccsc1C(=O)NCC(C)(C)c1cccc(C)c1 60184679 WEYWQKLVXBQUIE-UHFFFAOYSA-N 301.455 4.327 0 40 DIAB Clc1cccc(N2CCN(c3cccc(Cl)c3)CC2)c1 95934551 XHOCKWIJWIXZQZ-UHFFFAOYSA-N 307.224 4.320 0 40 DIAB in-vitro CC1(C)CC(=O)Nc2ccc(NC(=O)CCC3CCCC3)cc21 96182965 OVLGTGDODBCKHK-UHFFFAOYSA-N 314.429 4.215 0 40 DIAB Cc1csc(C2=C(O)CN([C@@H](C)CCCC(C)C)C2=N)n1 102043838 FANMQQTYMKMYBL-LBPRGKRZSA-N 307.463 4.228 0 40 DIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118927773 AVCFDKPWPTVYSF-SZTHHFOZSA-N 304.474 4.349 0 40 DIAB CCOc1cccc(NC(=O)COc2cccc3ccccc23)c1 218912746 UNFVIQGRIJCLND-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc(C)c(C)c1 222756935 CAXDJHFNAWQCLE-IBGZPJMESA-N 311.425 4.258 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225633277 ZVIQQEMSMUOWKB-DNVCBOLYSA-N 319.445 4.399 0 40 DIAB CO[C@H](c1ccccc1)c1nnc(COc2cc(C)cc(C)c2)o1 521393789 ZXFGPEBAVGKFNM-GOSISDBHSA-N 324.380 4.001 0 40 DIAB Cc1cc(C(=O)C(F)(F)C(F)(F)F)ccc1Br 575243236 XKNOENMBQMMHNY-UHFFFAOYSA-N 317.051 4.138 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)c(C)c1 571022 FWPQWAYWTCQSAJ-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(CC1CC1)CC3 1611769 PSWCBSBDTUQQIX-NRSPTQNISA-N 311.469 4.164 0 40 DIAB CCCCCNC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1786434 KLGGIXBOUVHVRD-UHFFFAOYSA-N 311.853 4.422 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 2764076 XPXIICYRWDNJET-DLBZAZTESA-N 311.425 4.257 0 40 DIAB COc1ccc([C@@H]2SC(=O)CN2c2ccc(Cl)cc2)cc1 3173480 CCQNFFSRVXMKKF-INIZCTEOSA-N 319.813 4.127 0 40 DIAB CCCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 3403944 CZCRNIRCKIKBRT-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB c1nc(SC[C@@H]2CCCCO2)c2c3c(sc2n1)CCCC3 6787348 ZWLWRNNGIUJZDY-NSHDSACASA-N 320.483 4.231 0 40 DIAB Cc1cc(C)cc(NC(=S)NCCCOC2CCCCC2)c1 7011133 AUJMXKKECOKLQF-UHFFFAOYSA-N 320.502 4.329 0 40 DIAB O=C(C1CCC1)N1CCc2sccc2[C@@H]1c1cccs1 7947119 JESMTTWCBGGTJB-OAHLLOKOSA-N 303.452 4.084 0 40 DIAB COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3o2)cc1 8122628 CFYIVEMXIXFBEL-UHFFFAOYSA-N 315.756 4.025 0 40 DIAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)cc1 10165961 CFXRWRCRAJCMKF-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB Cc1ccc(Cl)cc1NCc1cc2cccc(C)c2[nH]c1=O 12492346 PUGBIANIPGDTCW-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc2cccnc12 15835444 NCDBKGQHDOIURG-MRXNPFEDSA-N 324.355 4.170 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)Nc1ccc(Cl)cc1 18174222 XENSMZVRUQTRMP-NSHDSACASA-N 304.777 4.231 0 40 DIAB C1=CC[C@@H](CN2CCN(Cc3cccc4ccccc34)CC2)CC1 19880295 ROAYTCQGBNKYLT-LJQANCHMSA-N 320.480 4.314 0 40 DIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1O 29769673 VUYJJBWEYMLCII-UHFFFAOYSA-N 312.756 4.155 0 40 DIAB O=C(Nc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1 31343538 DMISOMYGVIVVIJ-UHFFFAOYSA-N 308.164 4.181 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2ccccc2)cn1 31773473 DUTTTYYLAGYKRW-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB C[C@H]1c2cccc(C(=O)Nc3cccc4cccnc34)c2O[C@@H]1C 32820216 YOTPAIYBUWDRQD-CHWSQXEVSA-N 318.376 4.372 0 40 DIAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccsc1 32845985 MSVHRSKIFNFRLS-UHFFFAOYSA-N 322.389 4.253 0 40 DIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2ccsc2)C1 36359727 IZYBFGLBHQCGLZ-ZDUSSCGKSA-N 313.357 4.197 0 40 DIAB Cc1cnc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)s1 42218626 PGBMFTNWNSZUNV-INIZCTEOSA-N 324.405 4.210 0 40 DIAB C[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 44874332 FJYBPSAYQPCJKT-QWHCGFSZSA-N 311.360 4.288 0 40 DIAB O=C(NCCSC1CCCC1)c1ccc(Cl)cc1Cl 46450160 LYFNTIDJSWGNHA-UHFFFAOYSA-N 318.269 4.399 0 40 DIAB CCn1nc(C)c2ncnc(N[C@@H](C)c3ccc(C(C)C)cc3)c21 57280197 YNACCSBNZTYPKJ-ZDUSSCGKSA-N 323.444 4.451 0 40 DIAB Cc1cccc2c1ccn2CC(=O)Nc1ccc2cc[nH]c2c1 62001295 GEEKYUFBCXBJMD-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB biogenic Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(O)cc2)c1C 65489845 FKUDCSPSVVAHBS-UHFFFAOYSA-N 315.438 4.357 0 40 DIAB Cc1ccsc1CN(C)c1ncnc2c1oc1ccccc12 69573228 BQHMHRDVACFRFY-UHFFFAOYSA-N 309.394 4.382 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)C1C2CC3CC(C2)CC1C3 69665954 FFZIVPBQNBPJMT-UHFFFAOYSA-N 321.367 4.299 0 40 DIAB CCC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@@H]1c1cccnc1 69737949 PDCMQJCRBWHSHZ-HSALFYBXSA-N 320.436 4.111 0 40 DIAB CCc1ccc([C@H](C)N[C@H](C)CC(=O)Nc2ccccc2)cc1 78739046 ILQKCPWRQAHCKN-CVEARBPZSA-N 310.441 4.317 0 40 DIAB Cc1cccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1Cl 84219353 NYBPPVTXTACADE-CYBMUJFWSA-N 318.808 4.131 0 40 DIAB Cc1nccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 89735803 HBLINZUTSZMAAR-UHFFFAOYSA-N 323.343 4.382 0 40 DIAB COc1ccc(N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 95462734 ZJOLVXRBJSAVJU-MRVPVSSYSA-N 312.200 4.152 0 40 DIAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccsc1 96759118 MANNSFJFPTZBBQ-KPKJPENVSA-N 314.435 4.081 0 40 DIAB CC[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 97017080 FMCKBCIIHZGDEY-DNVCBOLYSA-N 323.440 4.010 0 40 DIAB CC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(C)cc1 97134723 ISVZHMXVFJXFQW-UHFFFAOYSA-N 307.349 4.125 0 40 DIAB C[C@H](NC(=O)c1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 100604106 IGMNBLIBHADVHT-SFTQSGBHSA-N 322.246 4.004 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C[C@@H]2CCCN3CCCC[C@H]23)C1 102454260 BMRXTFOKVYWSJF-XFKSJGNHSA-N 304.522 4.152 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 103109262 LAATVQURGJINLT-SYQHCUMBSA-N 323.889 4.373 0 40 DIAB Fc1cccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1 199800811 GVHCVFWFUHXMNW-UHFFFAOYSA-N 321.787 4.152 0 40 DIAB O=C(N1[C@H]2C=CC[C@H]1CC2)C1(c2ccc(Cl)cc2)CCCC1 211136237 CTUQIZSSWUHKGJ-IRXDYDNUSA-N 315.844 4.471 0 40 DIAB CCC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 223299799 TZWWOCZLNWYQER-SNVBAGLBSA-N 303.830 4.017 0 40 DIAB Cc1ccc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1C 225077885 KNLVTRQIRFFBRU-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCCCNC(=S)Nc1ccc2nc(CC)sc2c1 225207773 HQKIEGQSRUGSNW-UHFFFAOYSA-N 307.488 4.335 0 40 DIAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(CC)OC)cc1C 225604368 VFTWZVZEXSITJB-RDTXWAMCSA-N 307.434 4.234 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)c1ccccc1F 390831836 VJBNMFXFADZDAK-CYBMUJFWSA-N 309.450 4.352 0 40 DIAB CCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)c2ccccc21 409111003 HRZIHVGFIAFFFV-LGMDPLHJSA-N 323.392 4.001 0 40 DIAB Cc1cc(=O)n([C@H](C)c2ccccc2)n1[C@H](C)c1ccccc1 1710541 IVSYXCFWNOBBAM-IAGOWNOFSA-N 306.409 4.177 0 40 DIAB CCCCOc1ccc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc1 2024659 ZRPACSQAKAOBDY-NBVRZTHBSA-N 321.376 4.210 0 40 DIAB O=C1OC(c2cccs2)=N/C1=C/c1ccc(Cl)c(Cl)c1 3248344 PJEVEXPZJZJDRZ-YRNVUSSQSA-N 324.188 4.399 0 40 DIAB CC(C)(C)c1csc(NC(=O)c2ccc(F)cc2Cl)n1 3326636 MZTGDHMIHXYRHX-UHFFFAOYSA-N 312.797 4.485 0 40 DIAB Cc1ccc(-c2cnc(NCc3ccccc3F)n2C)cc1C 4678941 CFOLRCNUIFRNCB-UHFFFAOYSA-N 309.388 4.455 0 40 DIAB CC(=O)O/C(=C\C=C(/OC(C)=O)c1ccccc1)c1ccccc1 4701674 DRVVPODMTGSYAF-AXPXABNXSA-N 322.360 4.195 0 40 DIAB O=C(CCOc1ccccc1)NCC1(c2ccccc2)CCCC1 5346662 PYZOKDNRKNXWSL-UHFFFAOYSA-N 323.436 4.084 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nccn1C 5359370 BCAAUHQOEMKKLA-OLZOCXBDSA-N 317.458 4.053 0 40 DIAB CC(C)CSc1nc2sccc2c(=O)n1-c1ccccc1 6907532 BSRXIULJCWLPOO-UHFFFAOYSA-N 316.451 4.195 0 40 DIAB CC(C)[C@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 7925026 DNDFGAXDHSDWFM-INIZCTEOSA-N 307.846 4.458 0 40 DIAB O=C(NC1CCCCC1)c1ccc(-n2cnc3ccccc32)cc1 8136110 YYWYAIIMGASHSN-UHFFFAOYSA-N 319.408 4.088 0 40 DIAB CCCCN(CC)Cc1c(C)nc2c(C)c(C)ccc2c1O 8714061 ZVKXVZASIAVMPG-UHFFFAOYSA-N 300.446 4.488 0 40 DIAB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C 11290244 CJCAPMJIWBBSSZ-GZTJUZNOSA-N 320.392 4.166 0 40 DIAB Cc1cccc(-c2cc(=O)[nH]c(SCc3ccccc3)n2)c1 12016199 VSCUWDQNJHCOHE-UHFFFAOYSA-N 308.406 4.038 0 40 DIAB CSc1ccc(CN(Cc2sccc2C)C[C@@H](C)O)cc1 13991533 SBHVDRLJWPVXSY-CQSZACIVSA-N 321.511 4.161 0 40 DIAB CC(=O)c1ccc(Nc2ncnc3c2oc2ccccc23)cc1 17207710 PBTVTHDWIQBZEY-UHFFFAOYSA-N 303.321 4.322 0 40 DIAB c1ccc(CNN(Cc2ccccc2)Cc2ccccc2)cc1 19167531 BHRIPICYVGSYCY-UHFFFAOYSA-N 302.421 4.394 0 40 DIAB Cc1cccc(OCCNC(=O)c2ccc(Cl)cc2Cl)c1 21785877 KXKDFNCUURPRRZ-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB COc1ccc(SCCC(=O)N[C@@H](C)c2ccccc2)cc1 27026687 JFVIKBJOMKUBMN-AWEZNQCLSA-N 315.438 4.055 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=S)N1CCC(C)CC1 33769549 QMOHOIQYGHDTIM-UHFFFAOYSA-N 318.269 4.409 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(CC)cc2)cc1 44844799 HFJPCUBVYFZQAH-UHFFFAOYSA-N 312.369 4.070 0 40 DIAB CC(C)N(Cc1cccc(Cl)c1)Cc1nc(C2CC2)no1 47959385 MFPRCIRMSHZDLL-UHFFFAOYSA-N 305.809 4.011 0 40 DIAB O=C(Nc1ccc(F)cc1F)Nc1cc(Cl)ccc1F 51354111 VNYJACURMBIGDA-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CCOc1ccc(-c2cc3c(SC(C)C)nccn3n2)cc1 57510862 OIFJIAZEUNZDLJ-UHFFFAOYSA-N 313.426 4.296 0 40 DIAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1ccco1 69660844 VLUZNFGHDNMQBW-HNNXBMFYSA-N 306.365 4.078 0 40 DIAB Cc1cc(N[C@@H](CN(C)C)c2ccccc2)c2ccccc2n1 89583058 LEMCKLLHDPKKQK-FQEVSTJZSA-N 305.425 4.258 0 40 DIAB O=C(NCCc1cccc2ccccc12)c1scnc1C1CC1 89737682 NVIPNQRANZXEHI-UHFFFAOYSA-N 322.433 4.146 0 40 DIAB CCOC(=O)c1cccc(-c2cccc(Br)c2)c1 95915978 LCHYISNZCBQRAI-UHFFFAOYSA-N 305.171 4.293 0 40 DIAB COc1cc(CN[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc(OC)c1 102908932 VBJLJOVEFPWEFT-YJLNNSPDSA-N 303.446 4.008 0 40 DIAB CC(C)(C)c1cc([C@@H]2OC(=N)C(O)=C2O)cc(C(C)(C)C)c1O 104240541 MPEGYWCXTIWOPC-HNNXBMFYSA-N 319.401 4.363 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 113959805 NPHYJFQVZUDGKB-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 118913573 UGIARLNNAPRCPF-KMPQGQSXSA-N 316.485 4.205 0 40 DIAB in-man CC[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C 225590956 DAAMYBVTMKVDFK-SECBINFHSA-N 324.635 4.481 0 40 DIAB Cc1cccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)c1 226309397 UBIGIZYSYKWIEQ-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB CC1=Nc2c(C)cccc2[C@H](OCC(=O)Nc2cccc(C)c2)C1 227148549 QWQUZZMAELZOOE-GOSISDBHSA-N 322.408 4.496 0 40 DIAB O=C(c1cc2ccccn2c1)N1CCCC[C@H](c2ccccc2)C1 390827326 GCGWCPQOLYALEJ-SFHVURJKSA-N 318.420 4.349 0 40 DIAB CCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1C 242549 QNOLNLREDQYIIY-UHFFFAOYSA-N 313.831 4.407 0 40 DIAB COc1c(C(=O)Nc2ccc(Cl)cn2)ccc2ccccc12 262033 MHCXLDUAGUGLKF-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CCN(CC)C(=O)CSc1nc2c(C)cc(C)cc2cc1C 412443 XWXNRKLDNOWMGW-UHFFFAOYSA-N 316.470 4.121 0 40 DIAB CCO[C@H](Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl 1621044 ZCWZJTVHQILIHZ-SECBINFHSA-N 304.000 4.452 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(C)c1 2753313 QZNKPNXKCDTODN-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1CCC1=CCCCC1 4852034 ONGPFVRFURUAGI-UHFFFAOYSA-N 305.377 4.326 0 40 DIAB Cc1ccccc1NS(=O)(=O)c1ccc2cccc3c2c1CC3 5234728 TXUQAHPFESJQBU-UHFFFAOYSA-N 323.417 4.048 0 40 DIAB Cc1cc(O)ccc1Nc1ncnc2sc3c(c12)CCCC3 5336905 ONVBACJGXCJBOX-UHFFFAOYSA-N 311.410 4.328 0 40 DIAB Cc1ccc2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2n1 5468564 BYCSSSJBCMKPTQ-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB CC[C@H]1CCCCN1c1nc(-c2cccnc2)nc2ccccc12 5656868 LPVLEAXAGOGEPL-INIZCTEOSA-N 318.424 4.461 0 40 DIAB COc1ccc(C(=O)CCCCn2cnc3ccccc32)cc1 5738447 BQGDHXYVJSHOKF-UHFFFAOYSA-N 308.381 4.098 0 40 DIAB O=C(NCc1ccc(Cl)cc1)C1C2CC3CC(C2)CC1C3 6600986 FPLUDJQVLOLSIF-UHFFFAOYSA-N 303.833 4.029 0 40 DIAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCCCCC1 7378141 PMFNDIBNANTDJI-LLVKDONJSA-N 315.244 4.196 0 40 DIAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 8480526 QGRHXHNOZSLZPH-MRXNPFEDSA-N 301.361 4.184 0 40 DIAB Cc1cccc(NC(=O)CCCc2nc(-c3ccccc3)no2)c1 9196495 MGKYPEOHTXEMEZ-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB Cc1ccc(NC2=NN=C(c3c(F)cccc3F)CS2)cc1 9596361 PRUZLZPYXDXPMY-UHFFFAOYSA-N 317.364 4.192 0 40 DIAB C[C@@]12CC3CC(NCc4ccc(C(=O)O)cc4)(C1)C[C@](C)(C3)C2 10436625 ASFWDZXKFWCQKK-LGMBCPCJSA-N 313.441 4.223 0 40 DIAB Cc1ccc(CSc2nc(-c3cccc(C)c3)cc(=O)[nH]2)cc1 12016205 NLEONIJECPFOTI-UHFFFAOYSA-N 322.433 4.346 0 40 DIAB Cc1sc2ncnc(NCc3nccc4ccccc34)c2c1C 12516108 WZUPNYNUQKVPNG-UHFFFAOYSA-N 320.421 4.468 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ncccc3C)ccc2c1 12523486 YLDFVJBHLFLYAN-CQSZACIVSA-N 320.392 4.294 0 40 DIAB O=C(Nc1cccc(O)c1)c1ccc(OCc2ccccc2)cc1 14638885 WMBHTOFSYDCGNF-UHFFFAOYSA-N 319.360 4.224 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 15306070 NXPDYGPMEBWXJZ-LLVKDONJSA-N 321.829 4.468 0 40 DIAB O=C(NCCCSc1ccccc1)c1ccc2ccccc2n1 18082958 NDTYXPMXDATPDW-UHFFFAOYSA-N 322.433 4.147 0 40 DIAB COc1cc(CN[C@@H](C)c2ccccc2Cl)cc(OC)c1 21805805 PNTUBSGNYJMLHX-LBPRGKRZSA-N 305.805 4.208 0 40 DIAB CCOC(=O)N(C)[C@@H](C)c1cccc(OCc2ccccc2)c1 22051356 AILWQHZCBRQEHX-HNNXBMFYSA-N 313.397 4.415 0 40 DIAB in-vitro CCc1nc(COC(=O)c2cc3c(F)cccc3s2)cs1 22886242 XTEDEBBAEFQSRU-UHFFFAOYSA-N 321.398 4.416 0 40 DIAB CCc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 25368399 DGTMLMACYKEJOX-ZDUSSCGKSA-N 315.438 4.377 0 40 DIAB FC(F)(F)c1ccc2nc(C(F)(F)F)nc(Cl)c2c1 26894550 HHQVIRZSUUHSTF-UHFFFAOYSA-N 300.589 4.321 0 40 DIAB C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 28779011 KPNCBMXHVCRECC-ZDUSSCGKSA-N 314.454 4.293 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 30758809 ZXEWUXNCQWQYSV-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)cc1F 40069872 DLKJCXQALGEFRA-NSHDSACASA-N 321.779 4.321 0 40 DIAB CCCc1ccccc1NC(=O)CCCc1nc(C(C)C)no1 40548549 LHWFKPXRGMJVGX-UHFFFAOYSA-N 315.417 4.107 0 40 DIAB CC[C@@H](C)c1ccc(OCCn2c(C=O)nc3ccccc32)cc1 41058283 VIZRKVRDYBAMHX-OAHLLOKOSA-N 322.408 4.441 0 40 DIAB CCCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 44845704 BXQZBTGDXXKLDL-UHFFFAOYSA-N 318.804 4.451 0 40 DIAB Cc1cc([C@@H](C)NC(=S)NCc2cccs2)c(C)s1 46103230 BCMBTILIHSVWMA-SNVBAGLBSA-N 310.513 4.152 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C 59351209 OPRYOOFHSNCKFE-SJORKVTESA-N 311.425 4.257 0 40 DIAB CCOc1ccccc1C[S@@](=O)[C@H](C)c1ccccc1F 69703121 VDHXROYGDFSVBE-ASSNKEHSSA-N 306.402 4.234 0 40 DIAB Cc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72211318 HBPAUABQPNBSHT-SFHVURJKSA-N 310.397 4.254 0 40 DIAB CCc1nn(C)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 91163752 MQUOMHFDHGUZBB-UHFFFAOYSA-N 321.380 4.027 0 40 DIAB Cc1ccc(SC2(C(=O)NCC(F)(F)F)CCCC2)cc1 95964225 JWAWQBVKLBUVOE-UHFFFAOYSA-N 317.376 4.078 0 40 DIAB Cc1cc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)c2ncccc2c1 97038504 DAYKRWNQNOTUMP-PSLXWICFSA-N 324.449 4.454 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 104819854 OULKJLLVMHCPLP-SDDRHHMPSA-N 323.820 4.122 0 40 DIAB Cc1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)nc1 223909089 YOPSPBJOIXGROJ-UHFFFAOYSA-N 323.421 4.137 0 40 DIAB Cc1ccc(NC(=S)NCCCSCc2ccco2)cc1 225592529 BWBGFHDYOIHQAL-UHFFFAOYSA-N 320.483 4.198 0 40 DIAB CCOc1ccccc1Nc1nc2c(s1)CCc1ccccc1-2 408885844 FVJGVJYIEWRSJF-UHFFFAOYSA-N 322.433 5.051 0 40 DIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 550743 ARBYJWIZNXNAEM-AWEZNQCLSA-N 302.761 4.021 0 40 DIAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12 4089224 FDDKOGGAQLAYGN-HXUWFJFHSA-N 301.393 4.227 0 40 DIAB biogenic CCc1cccc2c(C(=O)CSc3nc(C)cs3)c[nH]c12 5101443 XZCZRYGXMRYMCG-UHFFFAOYSA-N 316.451 4.470 0 40 DIAB CC(=O)c1ccc(OC(=O)CCCc2c[nH]c3ccccc23)cc1 7656361 CSDLXPKRKUJDBL-UHFFFAOYSA-N 321.376 4.299 0 40 DIAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 9141953 GCJODAITLPWMFD-UHFFFAOYSA-N 310.397 4.232 0 40 DIAB CSc1ccc(Cl)c(C(=O)N[C@H]2CCc3ccccc32)c1 12946481 FCORUYWTIROMRN-INIZCTEOSA-N 317.841 4.479 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)NCCC2CCCC2)cc1 12986503 DFZBVUXYBWIEMQ-CQSZACIVSA-N 304.434 4.026 0 40 DIAB Fc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 13682950 QXMBXJKZICZBOQ-UHFFFAOYSA-N 324.233 4.441 0 40 DIAB CCCOc1ccccc1C(=O)Nc1cccc2cccnc12 15835451 HNOWURMQMSMKAE-UHFFFAOYSA-N 306.365 4.276 0 40 DIAB Cc1nc2ccccc2nc1CN1CCC(c2ccccc2)CC1 16265194 MRIVTETXXBNDEH-UHFFFAOYSA-N 317.436 4.318 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCCC1 20041610 HKDKYIYHLVRXPD-CQSZACIVSA-N 303.446 4.152 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(F)c1 25052476 RCHAFELNGVEGOE-NSHDSACASA-N 307.752 4.194 0 40 DIAB CC(C)OCCCNC(=O)N[C@H](C)c1ccc2ccccc2c1 40068875 GRYIHAXYGWZORU-OAHLLOKOSA-N 314.429 4.015 0 40 DIAB CCC[C@@H](C)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 42512709 USOWDNMWLPOCSG-NEPJUHHUSA-N 322.499 4.347 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 45120407 JIRGTWLKTWNDAO-CRAIPNDOSA-N 324.424 4.221 0 40 DIAB CC(C)c1ccc2oc(-c3ccc(-n4cnnc4)cc3)nc2c1 45920433 BZHBEQXDXRKTBV-UHFFFAOYSA-N 304.353 4.199 0 40 DIAB CC(C)c1noc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)n1 46820010 QSGFMISEJMGLGZ-SNVBAGLBSA-N 312.373 4.385 0 40 DIAB COc1cccc(SCc2ccn(-c3cccc(F)c3)n2)c1 60279105 LDWOAINHXZIQBA-UHFFFAOYSA-N 314.385 4.312 0 40 DIAB CC[C@@H](Nc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C 72207633 FVHWIJLPMPZHJQ-HZPDHXFCSA-N 306.450 4.426 0 40 DIAB Clc1cc2cc(I)ccc2nc1Cl 95098178 JMVHKKUGSLVHHA-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB CC(C)[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccncc1 95399978 GVVHIGVRJVUCNO-GOSISDBHSA-N 321.424 4.040 0 40 DIAB COCCCSc1ccc(NCc2ccc(C)cn2)cc1 95429115 WQWBTYLNXOETRS-UHFFFAOYSA-N 302.443 4.131 0 40 DIAB C[C@H](NC(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102181410 PKTSXEJRWIXWOK-TZQJONAQSA-N 322.246 4.004 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccccc2)c1 113935330 XYXDMURQUZMZFC-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB Nc1ccc(-c2noc(-c3ccccc3Cl)n2)c(Cl)c1 225175589 MHISQVYQNJBNHC-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CC(=O)c1ccc(CCNC(=O)c2cccc3ccccc23)s1 225670816 ZITJCZQCTLJIHH-UHFFFAOYSA-N 323.417 4.076 0 40 DIAB COC1(c2nc(Cc3ccccc3Cl)cs2)CCOCC1 225745886 NCRYUZXMPXQDMX-UHFFFAOYSA-N 323.845 4.039 0 40 DIAB CC(C)c1ccc2oc(-c3ccc(OCC(=O)O)cc3)nc2c1 226295359 HBAQYYBMFVOVQD-UHFFFAOYSA-N 311.337 4.082 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260529685 YFEYXLOOTCLWQB-IAAVTCLWSA-N 323.436 4.302 0 40 DIAB O=C(c1ccccc1Br)N1CCCc2ccccc21 258641 FPZMTKSGVFVPQL-UHFFFAOYSA-N 316.198 4.042 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 363169 FLNSJPYODCDGSI-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CSc1ccccc1NC(=O)CCOc1cc(C)ccc1C 6285142 QEJGLILAQAKENC-UHFFFAOYSA-N 315.438 4.433 0 40 DIAB CC(C)Oc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 6364796 QJERZPWKABKPSE-UHFFFAOYSA-N 313.441 4.172 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7223311 VUEOUDVIVPHWHM-GFCCVEGCSA-N 322.330 4.453 0 40 DIAB CN(Cc1ccc(Cl)cc1)Cc1nnc(-c2ccccc2)o1 7915816 FGAFQVKTKISTBV-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CC(CNC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 8117266 HPGFJUOGKQXOGC-UHFFFAOYSA-N 315.416 4.423 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1ccc2ccccc2c1 8271512 BOCBNOSFHWNIHU-UHFFFAOYSA-N 303.317 4.338 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 12631401 BQMDLHXMSHJXHO-ZDUSSCGKSA-N 319.426 4.010 0 40 DIAB Cc1cccc(NC(=O)c2sc(-c3ccccn3)nc2C)c1 12926706 NFPKBVOLIPUJHV-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB OC12C[C@H]3C[C@@H](C1)CC(NCc1cccc4ccccc14)(C3)C2 13728189 BDHKDYWJCUETSZ-XBLGPDGASA-N 307.437 4.013 0 40 DIAB CCN1C(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)c2ccccc21 15018038 YXNZFDRWBOTMNN-HNNXBMFYSA-N 319.326 4.398 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC)c1 20488927 DCCCHOPGRJFAIZ-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB Cc1cccc(NC(=O)c2cccnc2Nc2ccccc2)c1 22072425 JWCRJCUMOGWHJF-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB CCCCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C 22990788 MIWBRGXMRBHBOY-UHFFFAOYSA-N 308.834 4.302 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cccc3cccnc23)c(C)c1 23040624 SSEZGGQQCMPRQC-UHFFFAOYSA-N 304.393 4.124 0 40 DIAB CCN(C(=O)c1cc(Cl)ccn1)c1nc2ccccc2s1 26907666 XAZKETXUHTVLJS-UHFFFAOYSA-N 317.801 4.011 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1sccc1-n1cccc1 32895297 IBKNLPGTLPOCAJ-UHFFFAOYSA-N 316.813 4.122 0 40 DIAB COCc1ccccc1NC(=O)Cc1coc2c(C)c(C)ccc12 44549074 JAGWPRIWWFOWRJ-UHFFFAOYSA-N 323.392 4.377 0 40 DIAB CCN(CC)c1ccc(NC(=O)NC2CCCCC2)c(C)c1 55158399 KUZQBXAFLOTXQJ-UHFFFAOYSA-N 303.450 4.295 0 40 DIAB CCSc1nnc(SCc2ccc(OC)c(F)c2)s1 58065798 RIJDMJJNFHJNCX-UHFFFAOYSA-N 316.448 4.090 0 40 DIAB O=C(CNCc1ccccc1Cl)Nc1cccc2ccccc12 58123233 XNUVQXHHQQHEIY-UHFFFAOYSA-N 324.811 4.222 0 40 DIAB Cc1ccc([C@@H](C)N(C)c2nccc(C(F)(F)F)n2)c(C)c1 58439147 HXAUVGSJPLSLGM-GFCCVEGCSA-N 309.335 4.310 0 40 DIAB Cc1cc(N)cc2nc(-c3ccccc3Br)oc12 70461456 YODFTDIQZQEGCK-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N1CCCC1 72218790 YPUPGRWSEBXAJS-HXUWFJFHSA-N 321.468 4.327 0 40 DIAB Cc1cccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nccs2)c1 72292354 XZUMOBQDWNPTEG-GOEBONIOSA-N 314.454 4.309 0 40 DIAB CCc1onc(C)c1NC(=O)c1oc2c(C)ccc(C)c2c1C 89398044 SGLWLZUWIVRNQR-UHFFFAOYSA-N 312.369 4.469 0 40 DIAB CC[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1nccs1 95409956 FNYXSIMXHPBKSB-DGCLKSJQSA-N 319.430 4.122 0 40 DIAB CC(=O)Nc1cc(Cl)sc1C(=O)c1ccc(Cl)cc1 96190705 CQAROODAKDAKSD-UHFFFAOYSA-N 314.193 4.244 0 40 DIAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1CCc1ccccc1 100099138 ZBOJBBVVBRWXGZ-YFVAEKQCSA-N 319.448 4.390 0 40 DIAB C[C@H]1C[C@@H]2CC(=O)[C@H](C)C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 118935729 NBCSMIORBHVFQN-SAASNSDGSA-N 318.501 4.451 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222775464 MORBEUMCOOLUHW-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223197603 AMRHYSNNVIQSGC-HZPDHXFCSA-N 323.436 4.128 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c1 223311523 NAGRAIWPUKXBEV-KRWDZBQOSA-N 311.425 4.118 0 40 DIAB Cc1ccc(C(=O)NCCCc2ccc(F)cc2)c(Cl)c1 225001352 CYEXSTRXVZKKCL-UHFFFAOYSA-N 305.780 4.150 0 40 DIAB CCOc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 225116357 YFFXZLNNUNUXIO-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(O)c1 408585673 HCGRSFLWHUQLIJ-UHFFFAOYSA-N 319.788 4.477 0 40 DIAB CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)c2ccccc21 409120856 WJXYDNMOLSXTRS-LGMDPLHJSA-N 307.393 4.301 0 40 DIAB CC(=O)Oc1ccc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 519859 SRZZJSRTPWVXAD-DPUAZZCKSA-N 300.398 4.148 0 40 DIAB c1ccc2c(c1)nc1nc3c(c(NCC4CCCCC4)n12)CCC3 1368922 VEGBDHFAVXGIKC-UHFFFAOYSA-N 320.440 4.363 0 40 DIAB Cc1ccc2nc(-c3ccc(Cl)cc3Cl)oc(=O)c2c1 1720604 SESXEBSQROFYNL-UHFFFAOYSA-N 306.148 4.470 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)ccc1OC(F)F 3207634 DERXAPRNFLRPRU-WQLSENKSSA-N 321.710 4.434 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)c(Cl)c1 3357646 VIHKFRNFKORXJJ-NSHDSACASA-N 306.768 4.227 0 40 DIAB Cc1nc(-c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)cs1 4051673 SOOXDIZJATUGDZ-UHFFFAOYSA-N 323.632 4.010 0 40 DIAB Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 5544690 GALQZRYGCAMFEY-UHFFFAOYSA-N 310.397 4.232 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 5579309 FCGNGQWGUIPQQN-UHFFFAOYSA-N 323.417 4.048 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 6231877 JOMYYBNDOIXYHU-OALUTQOASA-N 309.409 4.038 0 40 DIAB COc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1F 6547140 PPLGUCCBKLPDRX-UHFFFAOYSA-N 320.389 4.087 0 40 DIAB Cc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1C 6586644 CKYNPBRVJDJDCQ-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 6758865 CTPBGMJSEHDYQA-UHFFFAOYSA-N 317.344 4.277 0 40 DIAB biogenic CCOC(=O)c1ccc(-c2ccc(CN[C@@H](C)CC)o2)cc1 7520108 ONILNRBPZXCBKZ-ZDUSSCGKSA-N 301.386 4.011 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)NCCc1ccccc1 7995995 RLBHJNXBYBMQRK-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1noc2ccccc12 9667592 PUXXNELAWMFWPS-UHFFFAOYSA-N 310.397 4.373 0 40 DIAB O=C(C[C@H]1C=CCC1)Nc1ccc(-n2cnc3ccccc32)cc1 10427413 HHRNTPCPZHGVRQ-HNNXBMFYSA-N 317.392 4.320 0 40 DIAB O=C(OCc1cccc2cccnc12)c1cc2ccccc2[nH]1 11283450 FTYFPODNRBVWRI-UHFFFAOYSA-N 302.333 4.073 0 40 DIAB O=C(O)C/C(=C/c1ccccc1F)c1nc2ccccc2s1 12791293 XRJYDEOXLXMHJM-XFXZXTDPSA-N 313.353 4.451 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1C 14215356 FDHZNGMIAMDQAS-AWEZNQCLSA-N 317.816 4.213 0 40 DIAB c1ccc2c(c1)OC[C@H](CSc1cccc3cccnc13)O2 16524996 RLAWSJFCUYXNDX-CQSZACIVSA-N 309.390 4.167 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1 22500217 QPMSFZMUOCMBEH-KGLIPLIRSA-N 315.438 4.053 0 40 DIAB O=C(Nc1ccccc1)c1cc2cc(Br)ccc2[nH]1 24745371 HZQZGJUXQMEAKA-UHFFFAOYSA-N 315.170 4.183 0 40 DIAB CC(=O)c1cccc(NC(=O)Nc2cccc3ncccc23)c1 27926136 PRAGRSZGFORESS-UHFFFAOYSA-N 305.337 4.081 0 40 DIAB Cc1cc([C@@H](C)NC(=O)NCc2ccc(F)cc2)c(C)s1 28356117 RPBGIPBOHKHJDP-LLVKDONJSA-N 306.406 4.064 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 30872345 VDGJAPCKRSTTEE-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CC[C@@H](NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2 32841220 AOXONUZUOGCJNE-MUGCCGGLSA-N 316.445 4.074 0 40 DIAB Cc1ccccc1CN1CCC(Cn2cnc3ccccc32)CC1 36708857 XVZKJFFBORDXMU-UHFFFAOYSA-N 319.452 4.257 0 40 DIAB O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1Cl 40287709 VKGNTHZNWGAOJK-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cc1C 42203743 YUBGQCMHEJHLLO-IBGZPJMESA-N 323.415 4.055 0 40 DIAB CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 44443086 FMJNMSAAMWLLPE-HXUWFJFHSA-N 323.436 4.383 0 40 DIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccccc1 44844253 FBYFEGOBBLMABP-ZWKOTPCHSA-N 315.388 4.251 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccc(Nc2ccccc2)cc1 48234706 QZUNUJVTOZSQQQ-UHFFFAOYSA-N 321.380 4.216 0 40 DIAB COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2C)o1 57353766 OSXNFDSYJVJHST-VMPITWQZSA-N 321.170 4.204 0 40 DIAB Cc1nc2cc(NC(=O)[C@]3(C)CCCc4ccccc43)ccc2o1 58323559 BFKULHAAHQOQAJ-HXUWFJFHSA-N 320.392 4.369 0 40 DIAB CCO[C@@H](C)c1nc(CSCc2cnc(C)s2)cs1 76861083 YYIPXGNFFOQKHZ-VIFPVBQESA-N 314.501 4.439 0 40 DIAB Cc1cc(C)c([C@H](O)c2ccc(Br)cc2)cc1C 86493247 LFGYFQQFXVJXKR-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2cccs2)c1 95420467 XQMZYHSYNSWXSK-UONOGXRCSA-N 316.470 4.127 0 40 DIAB O=C(NCc1ccccc1-c1ccsc1)c1cc(C2CC2)on1 96383268 SFRKKMXJXXGJKW-UHFFFAOYSA-N 324.405 4.211 0 40 DIAB C[C@H](SCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 97151268 PTFSEZLQMGCWPG-ZDUSSCGKSA-N 315.413 4.037 0 40 DIAB C/C(=C\C(=O)Nc1c(C)noc1C)c1ccc(C(F)(F)F)cc1 98055690 GGQSOHGMVWUBID-CMDGGOBGSA-N 324.302 4.352 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc2ccccc2c1 222747159 UZWUDQXNJKPPMX-XYOKQWHBSA-N 305.352 4.309 0 40 DIAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1C 225071754 IDHHSJPEJYZVAT-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 225706201 GAPUTNSMVUHYCB-UHFFFAOYSA-N 317.429 4.296 0 40 DIAB O=C(Nc1ccccc1Cl)c1snnc1-c1cccs1 225788108 QKJHNIBIWMCYER-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB O=c1oc2ccccc2nc1Nc1ccc(Cl)cc1Cl 255189819 SIAULRKTLVUNOZ-UHFFFAOYSA-N 307.136 4.238 0 40 DIAB O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 1597710 JEVYVLLSVHNREX-UHFFFAOYSA-N 315.221 4.108 0 40 DIAB C/C(C(=O)O)=C(\Cl)c1c(C)cc(C)c(Br)c1C 1651885 YEGQXLHJORQHOM-FMIVXFBMSA-N 317.610 4.429 0 40 DIAB CCCCOC(=O)COc1c(Cl)ccc(Cl)c1Cl 1732337 ZNWXSBFFVLUDFZ-UHFFFAOYSA-N 311.592 4.369 0 40 DIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccccc1 2347389 ACGSRYMRMSSSMQ-UHFFFAOYSA-N 313.788 4.186 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C 3482278 HRZCJLLKUXNUGH-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 3555848 SPWDCMGOECEYMK-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cl)c2C)c1C 8988639 OKFARKKANBODNS-UHFFFAOYSA-N 304.777 4.048 0 40 DIAB Cc1nc(Oc2cccnc2)c2c3c(sc2n1)CCCCC3 12770493 GTSXGENCKDXHHB-UHFFFAOYSA-N 311.410 4.456 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)cc1 13671056 NJTMGXZTWDKQJA-MRXNPFEDSA-N 320.436 4.268 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)C1 15085190 QQTBAIIREMQQAS-IINYFYTJSA-N 315.413 4.486 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1 15331007 WKTIQLKEFGYTLN-LLVKDONJSA-N 307.752 4.194 0 40 DIAB CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2 19318730 QEMGEYUWBIRNCA-UHFFFAOYSA-N 311.256 4.040 0 40 DIAB COc1ccc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 19872927 AMMJYTZFCRMCER-UHFFFAOYSA-N 322.339 4.149 0 40 DIAB CN(Cc1ccsc1)C(=O)CCCc1c[nH]c2ccccc12 21935631 HOZCNLKRPJINDP-UHFFFAOYSA-N 312.438 4.211 0 40 DIAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc(F)cc1 30862563 FLFHYQLZICTZJJ-AWEZNQCLSA-N 317.429 4.326 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnsc1Cl 36396282 HKIUNROFLDYSJR-VIFPVBQESA-N 307.806 4.131 0 40 DIAB O=C(CCC1CCCC1)Nc1cccc(OC[C@H]2CCCO2)c1 36739609 ZNMPBQHHYRDSDW-GOSISDBHSA-N 317.429 4.153 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@H](CO)c1ccccc1-2 38304717 CNBJGFZEJYGYLZ-KRWDZBQOSA-N 311.381 4.138 0 40 DIAB CC(C)(C)CNCc1cn(-c2ccccc2)nc1-c1ccncc1 67249458 FLHWKJSYNAZCEN-UHFFFAOYSA-N 320.440 4.070 0 40 DIAB Cc1nc(SCc2nnc(-c3cccc(Cl)c3)o2)oc1C 70037813 VBYJCPSRBXUICV-UHFFFAOYSA-N 321.789 4.287 0 40 DIAB Cc1cc2c(nc1C)oc1c(N(C)Cc3ccccc3)ncnc12 71283427 XWWHLPDOVYABBF-UHFFFAOYSA-N 318.380 4.024 0 40 DIAB CC(C)Oc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211928 GXMIQASMVJOJIF-OAHLLOKOSA-N 320.433 4.331 0 40 DIAB COc1ccccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72221464 LZRBMUGPOFNBDL-KRWDZBQOSA-N 311.381 4.169 0 40 DIAB CCCC[C@@]1(CCNC(=O)c2ccco2)CCOC(C)(C)C1 96114906 JCLOCBITMZCKKK-GOSISDBHSA-N 307.434 4.165 0 40 DIAB biogenic O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1OCc1ccccc1 100098443 KDIQITOWQMAWPZ-ZHALLVOQSA-N 321.420 4.184 0 40 DIAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@@H]1O 118930970 FDGQIVOIHOIMNK-JLOIIDPSSA-N 304.474 4.205 0 40 DIAB Cc1cccc(CSCCNC(=O)c2ccccc2Cl)c1 219036227 NRQDVSOVIGCLQM-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CNCCCNc1ccnc2ccc(Oc3ccccc3)cc12 222681904 YSUHERJDFJPYPJ-UHFFFAOYSA-N 307.397 4.049 0 40 DIAB Cc1ccc(C(=O)N2CCS/C2=C/c2cccs2)cc1 225234597 WNRUNAMLMGKUAU-RVDMUPIBSA-N 301.436 4.244 0 40 DIAB CCCCOc1c(C)cc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645822 DSLSZIFGGVUYSM-LJQANCHMSA-N 319.445 4.236 0 40 DIAB CCc1ccc(CC(=O)N[C@H](CC)c2ccc(OC)cc2)cc1 225853495 LPOGGDOUFHURAN-LJQANCHMSA-N 311.425 4.068 0 40 DIAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2)n1 225917298 WUJLPIBYISXBKP-UHFFFAOYSA-N 318.380 4.089 0 40 DIAB CC(=O)Oc1ccccc1-c1csc(Nc2cccc(C)c2)n1 409375192 GYRAZMNAAORHPZ-UHFFFAOYSA-N 324.405 4.787 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@@H](c2cccs2)C1 823399213 FLUYPUXRTVTTFF-CYBMUJFWSA-N 316.426 4.168 0 40 DIAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 130147 UBGYHBYLTQHPNX-UHFFFAOYSA-N 316.360 4.191 0 40 DIAB Cc1cc(C)n2cc(CSc3ccc(Cl)cc3)nc2n1 176233 HPXSDJCJKZQLRF-UHFFFAOYSA-N 303.818 4.292 0 40 DIAB O=C(O)[C@H]1C(c2ccccc2)=C1c1ccc(Br)cc1 1569919 MVQZSULREFKYFP-HNNXBMFYSA-N 315.166 4.074 0 40 DIAB CCCCN1CC[C@@H](CNc2ccnc3cc(Cl)ccc23)C1 2048046 POCBOQIQIWTVTO-AWEZNQCLSA-N 317.864 4.422 0 40 DIAB C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2242735 YWYQTGBBEZQBGO-JLCOGKTCSA-N 320.517 4.387 0 40 DIAB biogenic CSc1ccccc1C(=O)c1ccc(CN2CC=CC2)cc1 2514891 WZFGLOGPLKYKSZ-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB CCOc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 2887369 WTGZJQZUAZUYTM-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB FC(F)Oc1ccc(Cl)cc1CSc1ncccn1 3293500 GAXHNONNGWRSRG-UHFFFAOYSA-N 302.733 4.024 0 40 DIAB CCC(CC)C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 4033178 KFRCSJQWUIDIHH-UHFFFAOYSA-N 322.412 4.079 0 40 DIAB O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1ccccc1Cl 4664600 TVTBAMWCYNLAKW-CRAIPNDOSA-N 310.784 4.457 0 40 DIAB CC[C@@H](C)NC(=O)c1cc2sccc2n1Cc1ccccc1 4970947 HCNNRURFUJELFO-CYBMUJFWSA-N 312.438 4.279 0 40 DIAB CC(C)C(NC(=O)CSCc1ccccc1Cl)C(C)C 6255619 NVTJCNBVJDTLFK-UHFFFAOYSA-N 313.894 4.370 0 40 DIAB CC(C)(C)C1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 6857311 KWXQMHOVLRMRRC-DQPZFDDXSA-N 315.457 4.479 0 40 DIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1F 7797102 TVOJOMOWVOFLOF-UHFFFAOYSA-N 324.380 4.300 0 40 DIAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=S)NC1CC1 8083106 RVGBHDLEGYZNLN-UHFFFAOYSA-N 320.845 4.069 0 40 DIAB c1cnn(-c2ccc(CSc3ncnc4sccc34)cc2)c1 8394953 QSUPIHWYVAJUJK-UHFFFAOYSA-N 324.434 4.169 0 40 DIAB Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 8747685 BCISRIRPQKPWKO-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB COc1ccc(SCCCC(=O)Nc2ccc(F)cc2)cc1 10218042 VAUFIPMDNHRZSO-UHFFFAOYSA-N 319.401 4.345 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2 12567173 DLFGIOABLIJWKZ-MLRXMUJOSA-N 301.474 4.145 0 40 DIAB O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 13166680 VIWLAZSPFNNYTJ-UHFFFAOYSA-N 317.344 4.304 0 40 DIAB Cc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCC2)c1 17743710 RVYIYTOOIHEXKG-UHFFFAOYSA-N 323.440 4.259 0 40 DIAB O=C(CCCc1nc2ccccc2[nH]1)NC1CCCCCCC1 29053547 USYKIUHLBHFRMW-UHFFFAOYSA-N 313.445 4.115 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C)c1 30860539 GGDKONUBXUUZGW-SFHVURJKSA-N 311.425 4.086 0 40 DIAB CSc1ccc(Cl)c(C(=O)N[C@H](C)CCc2ccco2)c1 32716958 MBKMAWSGPJTCER-LLVKDONJSA-N 323.845 4.406 0 40 DIAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 32914021 SXSHMJXVOUWCRZ-ZIAGYGMSSA-N 317.816 4.123 0 40 DIAB O=C(O)CCCCCCC(=O)c1cc(F)c(F)cc1Cl 43214185 UHBADGURWYJNAV-UHFFFAOYSA-N 304.720 4.226 0 40 DIAB CCOC1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 71820668 LIJGKJALYISMHF-UHFFFAOYSA-N 321.804 4.036 0 40 DIAB S=c1[nH]c2ccccc2c2nc(-c3cc4ccccc4o3)nn12 72312812 YIHXTCAEPPJPER-UHFFFAOYSA-N 318.361 4.353 0 40 DIAB COCc1nc(CN[C@@H](c2ccccc2C)C(C)(C)C)cs1 80347565 XELAJPIBUJVFFE-KRWDZBQOSA-N 318.486 4.475 0 40 DIAB CCc1ccc(CN[C@@H](c2cccnc2)c2cccc(OC)c2)o1 95415470 YBXCISGOUCGDJD-HXUWFJFHSA-N 322.408 4.125 0 40 DIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633952 LDLXKVUCPJXHNF-ROUUACIJSA-N 308.377 4.427 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccnc1)Cc1ccco1 106556884 GQESIZNNWUABDI-RYQLBKOJSA-N 324.424 4.030 0 40 DIAB CCOc1ccc(C(=O)NCCC(C)C)cc1COCC(C)C 224741595 GXCXPBIBJMZUBW-UHFFFAOYSA-N 321.461 4.034 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(C)n1)c1ccc(C)c(C)c1 225712693 OGCBPYVQIOQICE-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C 263606553 QZPGVFRDAIWANC-KDDXTAFZSA-N 318.457 4.140 0 40 DIAB CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 200544 ZHXBRLQKSGXFNC-GFCCVEGCSA-N 310.422 4.492 0 40 DIAB O=C(COc1ccc(-c2ccccc2)cc1)NC1CCCCC1 516358 UIVQISOCHNHNHD-UHFFFAOYSA-N 309.409 4.181 0 40 DIAB COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CCC3)cc1 1100607 UYZRKVPFPIGCRV-UHFFFAOYSA-N 320.392 4.181 0 40 DIAB CCCCC(CCCC)N[C@@H](C)COC(=O)c1ccc(N)cc1 1995915 RDCLDFKWBAJYMF-HNNXBMFYSA-N 320.477 4.153 0 40 DIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(F)cc1Cl 2514914 ZNAYLCICDZEAEY-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CCCCC(=O)Nc1nn(CCC)c2nc3c(C)cccc3cc12 2605443 BSTHYEGYDWNTOS-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB COc1cccc(-c2cc(C(F)(F)Cl)n3nc(C)cc3n2)c1 2786487 SUNLPYKGQUWPLZ-UHFFFAOYSA-N 323.730 4.001 0 40 DIAB O=C(Nc1ccccc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 4610895 MMOSXTJWJAFEOQ-JZAZDWQXSA-N 324.251 4.481 0 40 DIAB C[C@H]1CCC[C@H](NC(=O)/C=C/c2c(F)cccc2Cl)[C@@H]1C 4652578 CRIVOBJCBMEMDD-WBWGRYSWSA-N 309.812 4.433 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccc(F)cc2)C1 6754907 CXUBYVJUPMZQOF-YOEHRIQHSA-N 306.450 4.423 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 6779075 OOSOYQPEFMHAGR-UHFFFAOYSA-N 313.397 4.353 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C(C)C)C(C)C 8499612 CCFDOXHLSXLKLT-HNNXBMFYSA-N 311.853 4.294 0 40 DIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)C1CCC1 8705674 WPGUSMRSNLPXIB-LJQANCHMSA-N 305.377 4.439 0 40 DIAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(F)cc1 9419662 XEEQWKLVAZYAKH-HNNXBMFYSA-N 324.311 4.003 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)s1 9884233 QISZXRMXHHHXKV-UHFFFAOYSA-N 313.300 4.222 0 40 DIAB O=C(CCc1ncc(-c2ccccc2)o1)NC1CCCCCC1 11430127 IBOODLBYPNZFHZ-UHFFFAOYSA-N 312.413 4.113 0 40 DIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)C1CCCC1 12525528 QRQXDZWKUCSTQV-UHFFFAOYSA-N 311.410 4.192 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 13709711 RYLRBMVJSPAKIU-LLVKDONJSA-N 324.207 4.077 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)C[C@H](C)C[C@H]2[C@H]1c1ccco1 17173051 XCUSOXGYBWDEPN-YAMWDKFFSA-N 324.380 4.262 0 40 DIAB CN(C)c1ccc(NC(=O)c2sccc2-c2ccccc2)cn1 22394579 GXQXBKVVTZZORF-UHFFFAOYSA-N 323.421 4.128 0 40 DIAB Cc1ccc(CN(C)C(=O)CSCc2ccccc2C)cc1 22522773 ZAXOHVZIAQPLQO-UHFFFAOYSA-N 313.466 4.195 0 40 DIAB CC(C)OCc1ccccc1CNC(=O)/C=C/c1cccs1 30370443 FBYIYEHZFDKRJA-MDZDMXLPSA-N 315.438 4.003 0 40 DIAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 30861452 GUKVULRXQXQXRZ-IBGZPJMESA-N 319.404 4.486 0 40 DIAB Cc1nc(-c2ccc(NC(=O)CCc3cccs3)cc2)co1 32776584 IILFYZYJARDUPZ-UHFFFAOYSA-N 312.394 4.283 0 40 DIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCC1CC1 36391598 GVUQUFRWUSHUPJ-SECBINFHSA-N 301.217 4.106 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1cc2sccc2n1C 40798627 XBIRAYHDKJVGOL-UHFFFAOYSA-N 320.801 4.154 0 40 DIAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCC1 47166707 UPTAJAFVHRJXCG-UHFFFAOYSA-N 318.392 4.083 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1 48301320 UCBHMKMIMCWLIO-UHFFFAOYSA-N 305.381 4.248 0 40 DIAB COC[C@@H](C)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 58328617 ULUYSVXTMGXUAO-GFCCVEGCSA-N 318.442 4.155 0 40 DIAB Cc1ncc(NC(=O)CSc2ccccc2)c(C)c1Cl 72265140 CPUSJLBCRNXWAL-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB Nc1c(Cl)cc(-c2nc3cc(Cl)cnc3o2)cc1Cl 78406888 BEPCRIMBMSWAKB-UHFFFAOYSA-N 314.559 4.432 0 40 DIAB CCC1CCC(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 78884851 OOWZKVOCMCLULQ-CLRIEMFWSA-N 305.384 4.440 0 40 DIAB Clc1ncnc2oc(-c3ccccc3)c(Br)c12 88385271 WWQPJSOHSIWQNE-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB c1cncc(Oc2cccc(OCc3noc4c3CCCC4)c2)c1 95455649 QJIPUYMADMRUJG-UHFFFAOYSA-N 322.364 4.320 0 40 DIAB CC(C)n1ccc(CNc2cccc(Oc3ccccn3)c2)n1 97009816 WUXRBZZCSSNBIX-UHFFFAOYSA-N 308.385 4.263 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2c(C)cc(C)cc2C)C(=O)O)c1 225136309 JJNVFLGDDOTKCL-LJQANCHMSA-N 312.409 4.303 0 40 DIAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1OCc1ccccc1 247735107 KDIQITOWQMAWPZ-JENIJYKNSA-N 321.420 4.184 0 40 DIAB Cc1cnc(C2(C)CCN(C(=O)c3sccc3C)CC2)s1 257330943 XQSMEFVHMWYQIX-UHFFFAOYSA-N 320.483 4.015 0 40 DIAB CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Cl)c1OC 408557532 OMCZCUZGJACXMP-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB O=C(Cc1cccs1)c1ccccc1OC(F)(F)C(F)F 575360793 MWWNPXGBYBYYDF-UHFFFAOYSA-N 318.291 4.410 0 40 DIAB COc1ccc(C(=O)C(Cl)(Cl)Cl)cc1C(F)(F)F 575361098 QOFOXELBJCFTSA-UHFFFAOYSA-N 321.509 4.267 0 40 DIAB CSc1cccc(Nc2cc(C3CCOCC3)nc(C)n2)c1 1888876405 CMGUHQNWONXHFZ-UHFFFAOYSA-N 315.442 4.145 0 40 DIAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)C 103660 QHWZINULBWYNFL-UHFFFAOYSA-N 310.353 4.098 0 40 DIAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 217143 RWXOSSPUSSXDCV-AWEZNQCLSA-N 304.393 4.430 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 1801459 KVQBRFWISVPSAT-UHFFFAOYSA-N 317.772 4.159 0 40 DIAB CCN(CC)C(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C 2209690 WAROTAWKSWTWMZ-GOSISDBHSA-N 305.462 4.472 0 40 DIAB O=C(CC1CCCC1)OCC(=O)c1ccc(Cl)cc1Cl 3240086 HDPCIBZRVPWYFI-UHFFFAOYSA-N 315.196 4.300 0 40 DIAB Cc1ccccc1[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543272 ZSAWYNDCMMBLEW-HWPZZCPQSA-N 312.438 4.035 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1 4723576 ZSUQIINNYKVJGS-UHFFFAOYSA-N 324.424 4.400 0 40 DIAB Cn1ccnc1Sc1nc(-c2ccccc2)nc2ccccc12 5265973 NMXHMAQIVBKUJA-UHFFFAOYSA-N 318.405 4.182 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 5861490 NKZNFKZYLCAWBI-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 8388640 IYSTVDSCZIURKA-INIZCTEOSA-N 315.369 4.308 0 40 DIAB C[C@H]1CCc2nc(NC(=O)Nc3ccccc3F)sc2C1 8405373 QSXJEATYESAXOF-VIFPVBQESA-N 305.378 4.051 0 40 DIAB C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 8729005 JDUMRWVYRLTFMV-QMMMGPOBSA-N 313.159 4.019 0 40 DIAB Cc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccccc1 9317722 JZSWKOYTSRXQNE-UHFFFAOYSA-N 322.408 4.248 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1F 12633628 QDPZAXOTAWIBAC-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB Cc1nc2cc(NC(=O)COc3ccc(C(C)C)cc3)ccc2o1 12997899 GFJGRPBSQZNDGX-UHFFFAOYSA-N 324.380 4.277 0 40 DIAB Fc1cc(F)c(F)c(/C=C2/COC(c3ccccc3)=N2)c1F 17252418 UEXVHOOOQDTOAF-POHAHGRESA-N 307.246 4.061 0 40 DIAB CC(=O)Nc1ccc(Sc2cc(C)nc(C(C)C)n2)cc1 24990804 JIEXMALKZDISJN-UHFFFAOYSA-N 301.415 4.018 0 40 DIAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC=CCC1 25283211 COEUMWLWBXIFLY-PMACEKPBSA-N 305.421 4.443 0 40 DIAB Cc1ccsc1CNC(=O)c1cc2c(s1)CCCCC2 25717402 PJNNGVGSYPOOQB-UHFFFAOYSA-N 305.468 4.317 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)cc1C 28577388 OCBHIWTUOAXIAY-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB Cc1ccccc1CC(=O)Nc1cccnc1Oc1ccccc1 32832651 AECOXPSMSMJJHU-UHFFFAOYSA-N 318.376 4.364 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1 37124728 MEPLPOSWQPGIRQ-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 40040713 NBSYSPUTHCUZQT-ZWKOTPCHSA-N 302.462 4.340 0 40 DIAB C/C=C/C=C/C(=O)Nc1ccc2sc(C(=O)OCC)cc2c1 40082402 XSBMLKXYAMJIQA-TWTPFVCWSA-N 315.394 4.149 0 40 DIAB O=C(NC1CCCCC1)N(Cc1ccsc1)Cc1ccco1 42382096 YISCVMIJXQGYNW-UHFFFAOYSA-N 318.442 4.386 0 40 DIAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCCCCC1 44838732 XPCRRZSYRUFECC-UHFFFAOYSA-N 319.408 4.246 0 40 DIAB CSc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 44845522 BWGDWBIPMAFJEZ-UHFFFAOYSA-N 306.818 4.384 0 40 DIAB CCc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3O)nc2c1 70462049 OZGHXMJTMKNKCM-UHFFFAOYSA-N 324.380 4.357 0 40 DIAB CCCc1nc(C)sc1C(=O)Nc1cc(Cl)ccc1O 72402546 CLCCVOUPDFQUIP-UHFFFAOYSA-N 310.806 4.015 0 40 DIAB Cc1cc2[nH]c(-c3cncc(Br)c3)nc2cc1Cl 73636331 SQJKPCGNENRWRF-UHFFFAOYSA-N 322.593 4.349 0 40 DIAB C[C@@H](CC(=O)Nc1ccccc1[C@@H](C)O)c1cccc(F)c1 95993506 AVFGURFUZHQDMW-QWHCGFSZSA-N 301.361 4.011 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 100849287 HRNXETQNTHIERV-JWWGGVBKSA-N 323.436 4.113 0 40 DIAB O=C(CC1CCC(c2ccccc2)CC1)NCc1cscn1 108164567 ZCGKBDDYWPGXOB-UHFFFAOYSA-N 314.454 4.123 0 40 DIAB O=C(Nc1cccc(CN2CCCCC2)c1)[C@H]1C[C@H]2CC[C@H]1C2 109029266 LWCXTMKXMIDPQH-IEZWGBDMSA-N 312.457 4.047 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)c(C)c1 113969425 VLETXZRQFAHSPI-CQSZACIVSA-N 317.816 4.213 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(C)cccc2C(C)=CC1(C)C 223217977 CKRLIVHHZPHGCX-MRXNPFEDSA-N 301.430 4.339 0 40 DIAB COc1ccc(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223461857 PJBFKFRZKVXFTI-INIZCTEOSA-N 311.425 4.040 0 40 DIAB CCN(Cc1ccccn1)C(=O)[C@@H](C)c1cccc(CC(C)C)c1 585081826 JEJDNAQHFYWAIV-KRWDZBQOSA-N 324.468 4.432 0 40 DIAB Fc1ccccc1CSc1nnc(COc2ccccc2)o1 268632 DFSMQWNXSRYVAG-UHFFFAOYSA-N 316.357 4.080 0 40 DIAB C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1-c1ccccc1 411476 LEMNCDPTRIEGFF-APWZRJJASA-N 322.452 4.460 0 40 DIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)C 548153 LELGUTJFXHZIHF-UHFFFAOYSA-N 317.410 4.186 0 40 DIAB O=C(c1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)c1ccccc1 988684 KAFIRIBTVAQVNC-RDGPPVDQSA-N 302.373 4.191 0 40 DIAB COc1ccc(C(=O)c2ccccc2C(=O)c2ccccc2)cc1 1704249 AUIPSSMZCNTJBM-UHFFFAOYSA-N 316.356 4.157 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(OC(F)F)cc1 3303622 SCDBWROCPZMOJV-ZWNOBZJWSA-N 314.401 4.153 0 40 DIAB CCc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 4696232 TZRBHMGBLNOTDH-UHFFFAOYSA-N 310.397 4.096 0 40 DIAB COc1cccc(NC(=O)c2ccoc2COc2ccccc2)c1 5033161 PGUPQHAZYSSMLT-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB C[C@@H]1CCc2sc(C(=O)N3CCCc4ccccc43)cc2C1 6510677 DRTVQGWWIXLFMT-CYBMUJFWSA-N 311.450 4.466 0 40 DIAB Cc1nc2c(C)cccc2c(O)c1CN(C)Cc1ccccc1 8714596 VIZHTTLFWLNKDQ-UHFFFAOYSA-N 306.409 4.189 0 40 DIAB Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 10964676 FGGKVKUBYDJXEB-HNNXBMFYSA-N 301.386 4.101 0 40 DIAB CCCCOc1ccc(-c2nonc2NC(=O)CCCC)cc1 11914178 DAIZOMVJSSTJSL-UHFFFAOYSA-N 317.389 4.044 0 40 DIAB O=C(Cc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 12807610 LEMKVVIEYRACRH-OAHLLOKOSA-N 317.841 4.236 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 15967019 LXARTFHPKFRUNN-JTQLQIEISA-N 324.207 4.493 0 40 DIAB CC[C@@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 16033431 HPBMJTIXAXDVLJ-BXKDBHETSA-N 311.838 4.061 0 40 DIAB N[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 19365771 QHUYQHXMNCGJAS-MMHMDJKXSA-N 306.453 4.445 0 40 DIAB CCC(CC)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28405281 RWUDILYHYRLCEH-UHFFFAOYSA-N 300.377 4.190 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1 38752765 LFZWSDPXCRWEIH-OAHLLOKOSA-N 303.789 4.160 0 40 DIAB Brc1ncccc1Oc1nc2ccccc2s1 43220374 HAIQTYDWJLZALP-UHFFFAOYSA-N 307.172 4.246 0 40 DIAB CCSc1ccccc1NC(=O)c1ccc(OC)c(F)c1 55703878 WQVFPZBBIOQKQD-UHFFFAOYSA-N 305.374 4.199 0 40 DIAB Cc1ccccc1OC(=O)c1cccnc1Oc1ccccc1 57948554 QXBUZRZDNVHKQQ-UHFFFAOYSA-N 305.333 4.402 0 40 DIAB Cc1ccc(-c2nc(CN(C)C3Cc4ccccc4C3)cs2)o1 69418425 GNTIVCTUPSLWOC-UHFFFAOYSA-N 324.449 4.311 0 40 DIAB Cc1ccc(F)cc1NC(=S)Nc1ccc(N(C)C)cc1 71761569 SPYCHVKQODKAEP-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB C[C@H](O)c1cccc(OCc2csc(C3CCCC3)n2)c1 72313880 WTRYDQKBEXKKRM-LBPRGKRZSA-N 303.427 4.433 0 40 DIAB CCCC[C@@H](CC)C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 95418240 LMKLPCFMDRXSKF-UONOGXRCSA-N 307.409 4.120 0 40 DIAB Cc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F 95916948 KXUCBZISOZUFRU-UHFFFAOYSA-N 304.189 4.061 0 40 DIAB O=C(CCc1ccccc1)N[C@H]1CCCc2c1[nH]c1ccccc21 96230926 GGIJBHMLDLOWHW-IBGZPJMESA-N 318.420 4.294 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(C)cc2)cc1 113969060 YYVUZSFAJISNMG-LJQANCHMSA-N 311.425 4.031 0 40 DIAB O=C(O)c1cc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2c1 216921893 SEZMPJJNJSCZMR-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB Cc1ccccc1OC[C@H](C)NC(=O)Nc1ccc(Cl)cc1 222635856 IAIYOJIUIYOALI-ZDUSSCGKSA-N 318.804 4.237 0 40 DIAB COc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 222980019 FUEYIKTXRMTOCR-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB Cc1cccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c1C 225022465 RZKJPICKWOAPJA-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCc1nc(C)c(C(=O)Nc2nc3c(C)cc(C)cc3s2)o1 331812409 XSYJIEANTMVATP-UHFFFAOYSA-N 315.398 4.024 0 40 DIAB CO[C@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(F)c1 1615085790 VKDZZVOVDIVSJY-APWZRJJASA-N 305.437 4.038 0 40 DIAB CCn1c(-c2ccccc2)nn(CNc2ccccc2)c1=S 68068 PUTKZEUQMUHPQL-UHFFFAOYSA-N 310.426 4.171 0 40 DIAB CC(C)(C)C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1 144162 QXUATCXNZUEPAJ-UHFFFAOYSA-N 321.380 4.325 0 40 DIAB Cc1ccccc1-c1nnc(SCc2ccccc2F)o1 199304 AOOGMVPVDBJWOO-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1cnc2ccccc21 204745 JHAMRUNAIBVEDT-GFCCVEGCSA-N 314.772 4.106 0 40 DIAB COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1C 276165 NYDVJHDLTJPWFB-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2ccccc2c1 352006 PDKNDNATKZBPSK-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB Cc1ccc(OC(=O)c2ccccc2Br)c(C)c1 364283 QHYJKPLFHLTZLH-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB Cc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)s1 2747208 BSEUICZFZHDTBI-UHFFFAOYSA-N 319.389 4.157 0 40 DIAB O=C(C1c2ccccc2Oc2ccccc21)n1cc(Cl)cn1 2761637 RQMDSTWXQNPBHD-UHFFFAOYSA-N 310.740 4.115 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCC[C@H](C)C1 2795808 IGPYIFUVNQMBFG-ZDUSSCGKSA-N 309.837 4.066 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 3881780 GCKMFJBGXUYNAG-XHYRXIGBSA-N 302.458 4.269 0 40 DIAB biogenic CCCCc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1 6264752 KCKCBJDMVIOEFR-UHFFFAOYSA-N 322.412 4.030 0 40 DIAB Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CCCCC3 6509779 ROQRDOXEPQTUIA-UHFFFAOYSA-N 310.422 4.160 0 40 DIAB COCc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1 7078812 WOJKKCGHLKSFNV-MRXNPFEDSA-N 303.427 4.022 0 40 DIAB COc1ccc(C)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 8849049 VVQCXJIUEWHYTA-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccccc3)n2)cc1 9196453 QFCYMNNSFDFIDW-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccsc1 11261338 XZBQSJLZKDMJDN-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB CC[C@@H](C)n1c(S)nnc1COc1ccc(C(C)(C)C)cc1 11692605 DNANMRXBHBBJQT-GFCCVEGCSA-N 319.474 4.414 0 40 DIAB CC(C)Oc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1 12138170 IIXRVDGLUXXBQS-KRWDZBQOSA-N 300.402 4.111 0 40 DIAB CC(=O)c1cc(C(=O)NC2(c3ccccc3)CCCC2)cs1 12197436 NUGMQXMADQLART-UHFFFAOYSA-N 313.422 4.150 0 40 DIAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCCC1 12625251 VWOLCSMMAQWTEF-UHFFFAOYSA-N 313.372 4.424 0 40 DIAB CCOc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 14023149 DDNGBTUMFSLILC-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB Cc1cccc(OCCCC(=O)Nc2ccc(F)c(F)c2)c1 15588712 BBVZEIRADDTYTE-UHFFFAOYSA-N 305.324 4.071 0 40 DIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)C(C)C)n1 19690771 QCSULHPZEMNCCP-IBGZPJMESA-N 308.425 4.377 0 40 DIAB CCOc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 20538237 FLWFDBTXIPQBDE-LBPRGKRZSA-N 302.349 4.107 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1 22500214 QPMSFZMUOCMBEH-UONOGXRCSA-N 315.438 4.053 0 40 DIAB CNc1nc(S[C@H](C)C(=O)c2ccccc2)nc2ccccc12 29424968 JBFIUCOTISXPLF-GFCCVEGCSA-N 323.421 4.035 0 40 DIAB Cc1noc(C)c1C(=O)N[C@@H](c1cccs1)C1CCCC1 31805436 HOKLVEMYWZGILY-OAHLLOKOSA-N 304.415 4.014 0 40 DIAB Cc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 34803495 BTLFMPNCGXWJLV-QGPMSJSTSA-N 303.446 4.411 0 40 DIAB CC(C)(C)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35040416 WORNLWNZWDYCGG-DHZHZOJOSA-N 311.859 4.340 0 40 DIAB Cc1ccsc1C(=O)NCc1ccc(F)cc1C(F)(F)F 36391553 RTEGXDTVHPSNIS-UHFFFAOYSA-N 317.307 4.144 0 40 DIAB Nc1ccc(Cl)cc1C(=O)c1ccccc1OC(F)(F)F 36452103 LNPGNFSAXVACTB-UHFFFAOYSA-N 315.678 4.052 0 40 DIAB Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36621120 DWHLLCDRHNPLQF-GOSISDBHSA-N 312.388 4.181 0 40 DIAB CC(C)(c1ccccc1)c1ccc(O[C@H]2CCNC2)c(Cl)c1 42775478 IYKINRYPTWJTQZ-INIZCTEOSA-N 315.844 4.407 0 40 DIAB CCC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44900859 AXUVBIKSTHOXNJ-INIZCTEOSA-N 322.452 4.168 0 40 DIAB CCc1cc(-c2ccc(C(=O)OC)o2)cc(C)c1Br 45889478 QNOROHVTWBREND-UHFFFAOYSA-N 323.186 4.367 0 40 DIAB CCCC(C)(C)NC(=O)c1sc(-c2cccs2)nc1C 65403161 BMVSAKHEOHLJDP-UHFFFAOYSA-N 308.472 4.489 0 40 DIAB CCSCc1ccc(C(=O)Nc2cccnc2Cl)cc1 79431884 JYMKKZUMMBYUQO-UHFFFAOYSA-N 306.818 4.240 0 40 DIAB CC(C)(C)OC(=O)N1CCC2(C=Cc3ccc(F)cc32)CC1 91303085 QPWSKWZWNXUMOX-UHFFFAOYSA-N 303.377 4.121 0 40 DIAB in-vitro CC(C)C[C@@H](NC1CCN(Cc2cscn2)CC1)C(C)(C)C 95462762 KRVLSTDMBIGIQJ-QGZVFWFLSA-N 323.550 4.158 0 40 DIAB c1ccc(-c2ccc(CNc3c[nH]nc3-c3ccccn3)o2)cc1 95467788 OZVAROYNPXDHEB-UHFFFAOYSA-N 316.364 4.344 0 40 DIAB O=C(NCc1csc2ccccc12)N[C@@H]1C[C@H]1c1ccccc1 95955042 GKLOYYLFCVYAKR-DLBZAZTESA-N 322.433 4.257 0 40 DIAB C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc2ccccc2n1 95967680 GOKCWFVCCZJLHQ-HUUCEWRRSA-N 306.409 4.222 0 40 DIAB c1cnc2ccc(CN3CCC[C@@H](c4nccs4)C3)cc2c1 127598227 HNGCKCSTRXPZQO-MRXNPFEDSA-N 309.438 4.071 0 40 DIAB O=C(Cc1cccs1)N1CCS[C@H](c2cccs2)CC1 219488796 GZUQSVFHXMVSBL-AWEZNQCLSA-N 323.508 4.059 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(C)c1 223093281 RGMCEJREQBWQSF-LVMGUKCRSA-N 309.409 4.284 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2C(C)=CC1(C)C 223218333 PUCVHKCGBSSHEJ-INIZCTEOSA-N 317.429 4.039 0 40 DIAB Cc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c(C)c1 225025275 HPSCPBFFJSJCJK-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CO[C@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225646012 AGBIXIPZLVBDFO-IBGZPJMESA-N 319.445 4.092 0 40 DIAB O=C(CSc1ccnc(-c2ccccc2)n1)c1ccccc1 1554502630 VFJNYQZUXOCCNF-UHFFFAOYSA-N 306.390 4.119 0 40 DIAB CC(C)(C)OC(=O)Nc1cnc2cccc(Br)c2c1 1857789552 IXQSZADYGIJAMC-UHFFFAOYSA-N 323.190 4.344 0 40 DIAB Cc1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 75198 CGSSQGOOBTYQOQ-UHFFFAOYSA-N 313.356 4.459 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 579758 XRFNGEKXMZNTNM-GFCCVEGCSA-N 319.788 4.145 0 40 DIAB O[C@@]1(c2ccccc2)C[C@H](c2ccccc2)c2ccccc2O1 1670040 UOEOPLWOLUQXHF-CTNGQTDRSA-N 302.373 4.446 0 40 DIAB CCCCn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc21 2400416 UQMRTQJDPDJABA-UHFFFAOYSA-N 324.428 4.369 0 40 DIAB CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2573382 BHJVKDVTAPXZBW-UHFFFAOYSA-N 301.802 4.310 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OCC 5559762 VTPJDUIETHVZSE-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB CCc1ccc(Oc2nnnn2-c2ccccc2)c(C(C)(C)C)c1 5959765 APWXAZGFGVIMNY-UHFFFAOYSA-N 322.412 4.315 0 40 DIAB CC(C)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 6316340 ZUYAKPNULHKNRV-UHFFFAOYSA-N 309.818 4.264 0 40 DIAB O=C(/C=C/c1cccs1)Nc1cccc(Br)c1 6330650 IWDSBSJUEGBDTN-VOTSOKGWSA-N 308.200 4.163 0 40 DIAB CC(C)[C@@H](CCNC1CCN(C)CC1)c1ccc(Cl)cc1 6670269 VGJCPUJNUJHWDU-GOSISDBHSA-N 308.897 4.154 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 6824448 AQRDCUPITNPXGL-GWCFXTLKSA-N 300.324 4.406 0 40 DIAB O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCC12CC3CC(CC(C3)C1)C2 6904744 DLFGIOABLIJWKZ-HRENGJMASA-N 301.474 4.145 0 40 DIAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccncc2)cc1 7884811 UVACRXIRDAHAFD-IBGZPJMESA-N 315.376 4.161 0 40 DIAB CCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1OCC 8287557 BMMLIWVWYMYJLD-UHFFFAOYSA-N 317.360 4.266 0 40 DIAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccco1 8359886 CDQNJAYFYURBEK-ZDUSSCGKSA-N 311.406 4.402 0 40 DIAB c1ccc2[nH]c(-c3nn4c(C5CCCCC5)nnc4s3)cc2c1 9051374 VQVAEPRKUBNDSB-UHFFFAOYSA-N 323.425 4.382 0 40 DIAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCCCCC1 9647083 DDMPMXXKFPJBOF-UHFFFAOYSA-N 319.408 4.042 0 40 DIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1CC1(Cl)Cl 12760432 KBJMIAXAZAWIIP-LBPRGKRZSA-N 306.192 4.071 0 40 DIAB COc1cccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1 12821295 WAPWNZFIIGJYGI-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CC(=O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 12884591 RPOIDNDIESVFKB-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB O=C1O/C(=C(\c2cccc3ccccc23)[N+](=O)[O-])c2ccccc21 13306221 RNFNTHSUWQWBCK-ISLYRVAYSA-N 317.300 4.113 0 40 DIAB CCc1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)cc1 13932645 KOIFXDXMZBIYGF-CYBMUJFWSA-N 314.454 4.305 0 40 DIAB CC(CNC(=O)c1ccco1)(c1ccccc1)c1ccccc1 14188271 HQRUHGQEZUCPFH-UHFFFAOYSA-N 305.377 4.016 0 40 DIAB COc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)cc1OC 15606156 SNJYZKXCKYKFQE-UHFFFAOYSA-N 323.751 4.057 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl 15976989 BCPMSPMHXWPIQQ-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 20042384 LORPVBPYFIDPJE-HNNXBMFYSA-N 311.878 4.469 0 40 DIAB CC(C)CCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20136727 ASWHJHRKBOBDPQ-UHFFFAOYSA-N 304.173 4.066 0 40 DIAB COc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 21933988 XDNMGGOLFNOQFL-CQSZACIVSA-N 309.409 4.065 0 40 DIAB O=C(CCN1CCCCC1)Nc1ccccc1-c1ccccc1 22197380 FNWSTDUWRTXMFE-UHFFFAOYSA-N 308.425 4.168 0 40 DIAB Cc1ccc(Cl)c(OCc2noc(-c3ccsc3)n2)c1 31640673 JSQFEAVVZLTEGQ-UHFFFAOYSA-N 306.774 4.339 0 40 DIAB Clc1ccc(OCC2CCNCC2)c(-c2ccccc2)c1 42775501 WXVALTUXLIJHDF-UHFFFAOYSA-N 301.817 4.385 0 40 DIAB O=C(NCc1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1 46543676 UJPDQKKSSLXZRL-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB CCN(C(=O)c1csc(-c2ccccn2)n1)c1ccccc1C 58265088 UUDXQFIABVUCNO-UHFFFAOYSA-N 323.421 4.180 0 40 DIAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc2ccccc12 71280826 OFSQSKBSVXSCKT-OAHLLOKOSA-N 321.380 4.034 0 40 DIAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCc2ccccc21 72222909 FTMRSNVQJAHKAI-HXUWFJFHSA-N 315.420 4.132 0 40 DIAB O=C(CSc1cnccn1)c1ccc2c(c1)-c1ccccc1C2 74789446 BDLFCJHRRAVRMI-UHFFFAOYSA-N 318.401 4.023 0 40 DIAB Cc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1C 78933728 KILBGADYBKVNMK-IBGZPJMESA-N 308.425 4.456 0 40 DIAB C[C@H](c1nc2ccccc2s1)[C@@H](C)Sc1nnc(N)s1 79020073 LREUHJGXGSXFBH-JGVFFNPUSA-N 322.484 4.014 0 40 DIAB O=C(Nc1cccc(-c2ncco2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1 89779610 COOIFZPGRLEHMY-IAGOWNOFSA-N 322.339 4.223 0 40 DIAB C[C@H](NCc1ccnc2[nH]ccc12)c1cccc(C(F)(F)F)c1 95462175 JIMVJPQTKVRBHG-NSHDSACASA-N 319.330 4.433 0 40 DIAB CC(=O)c1csc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)c1 95973284 ICDWDSFDQXDPQG-ZBEGNZNMSA-N 313.422 4.319 0 40 DIAB O=C(Nc1cccs1)N1CCS[C@@H](c2ccccc2)CC1 211143944 RAHBGRWQMYTXMF-CQSZACIVSA-N 318.467 4.460 0 40 DIAB COc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1C 222817907 JKHCKHIKTSJVPK-UHFFFAOYSA-N 305.377 4.087 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2C)cc1COC(C)C 224423103 RIXMGWNGIGBHFC-UHFFFAOYSA-N 313.397 4.181 0 40 DIAB Cc1cc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)cc1C 225646253 XIMARACPOPOQAR-UHFFFAOYSA-N 311.425 4.329 0 40 DIAB CCCCCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226351957 CRDZDZNARFBMMB-UHFFFAOYSA-N 315.369 4.472 0 40 DIAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1CCc1ccccc1 247758763 ZBOJBBVVBRWXGZ-HFSMHLIXSA-N 319.448 4.390 0 40 DIAB CCOc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775971561 VCQYZPHKIPFVKZ-IRXDYDNUSA-N 311.425 4.333 0 40 DIAB CC(C)(C)c1ccc(C(=O)N2CCOC23CCCCC3)cc1 99675 XPYQLYWLQJUQPA-UHFFFAOYSA-N 301.430 4.117 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 579712 FQEOKDNKGGZGSB-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1 1937417 NYHGZIXUQPPHTF-MDZDMXLPSA-N 316.198 4.409 0 40 DIAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 2492879 OXMUJJPXNUBXPP-RFAUZJTJSA-N 316.401 4.441 0 40 DIAB O=C(c1cc(F)cc(F)c1)c1cccc(CN2CCCCC2)c1 2515036 WWQYXMDZOYXDOT-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 4896392 QMCLGDBCODWMRX-GHSJJHLASA-N 316.441 4.060 0 40 DIAB CC(C)(C)c1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 5032417 DAYHNAYCKSWMEX-UHFFFAOYSA-N 324.409 4.410 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)NC12CC3CC(CC(C3)C1)C2 5676993 RVDJOXVKXSFFMR-XXWNAHEMSA-N 310.441 4.116 0 40 DIAB O=C(COc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 6242382 FQIOQRORFCNDDT-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB Cc1cccc(NC(=S)NCCSCc2ccccc2)c1 7369735 JOZSPSCDEKDFPF-UHFFFAOYSA-N 316.495 4.215 0 40 DIAB C[C@@H](NC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl 7381055 OIRVCYZCZNUSMJ-SNVBAGLBSA-N 315.244 4.243 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(COc2ccccc2)o1 8085257 PZYSAQDNRYYLLI-UHFFFAOYSA-N 313.397 4.311 0 40 DIAB COc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1 10219226 LPYYSIUOJJRHPL-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB COc1ccc(NC(=O)CCc2ccc(C)cc2)cc1Cl 10339108 NMTRGZLNDIZUFH-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB COc1ccc(Cl)cc1Nc1nc(SC)nc2c1CCC2 12016504 SFOOADSJYHPJHW-UHFFFAOYSA-N 321.833 4.093 0 40 DIAB Cc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 14206325 UVLZGIJXPWMINK-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1cccc(OCCC(C)C)c1 19736424 LAZKHNYEALYOBN-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB Cc1ncc(C(=O)Nc2ccccc2Oc2ccccc2)c(C)n1 19937119 OILQSCBDIHRQIY-UHFFFAOYSA-N 319.364 4.138 0 40 DIAB Cc1[nH]c2ccccc2c1CC(=O)Nc1nc2ccccc2s1 24667741 DPCGSRPGMNMLQN-UHFFFAOYSA-N 321.405 4.267 0 40 DIAB CNC(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 24759451 SOMTYFADDDCXNF-RUDMXATFSA-N 312.756 4.011 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 24958712 AVXVVTIZXNIKQV-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB Cc1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)nc1 32488956 CKTHZSCZOLVNEC-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB O=C(CSc1ccccc1Cl)N[C@H]1CCc2ccccc21 32843544 PTQSSJGCIPIJDV-HNNXBMFYSA-N 317.841 4.236 0 40 DIAB Cc1nc(CN[C@H](C)c2ccc(Br)cc2)cs1 40418844 MDMJTWRCMBRJOD-SECBINFHSA-N 311.248 4.065 0 40 DIAB C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccccc1Cl 42337665 POEMOLKDGZEAAV-BZNIZROVSA-N 310.224 4.378 0 40 DIAB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccccc1 44842546 VIEJBIIEYFMCNH-SFHVURJKSA-N 313.466 4.496 0 40 DIAB COc1ccc(NC(=O)N[C@@]2(C)CCCc3ccccc32)cc1 58245303 DDZGJLZBMBYPJN-IBGZPJMESA-N 310.397 4.068 0 40 DIAB Cc1cccc(C)c1OCCC(=O)Nc1ccc2ccccc2n1 65585808 FSABOUSGOJKEEP-UHFFFAOYSA-N 320.392 4.259 0 40 DIAB CN(C(=O)[C@@H]1CC=CCC1)[C@H](c1cccc(F)c1)c1ccccn1 69921244 NEIKONAKJJSKLD-DNVCBOLYSA-N 324.399 4.125 0 40 DIAB COCc1ccccc1NC(=O)Nc1cccc([C@H](C)OC)c1 72282543 GAWNCOSXPOPUTP-ZDUSSCGKSA-N 314.385 4.184 0 40 DIAB CC(C)(O)CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95964622 ZLIRVNHBRRWPCU-UHFFFAOYSA-N 316.241 4.264 0 40 DIAB CC[C@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2 170218248 ILGZYQJKFLDGIP-SFHVURJKSA-N 313.466 4.437 0 40 DIAB CC[Si](CC)(CC)c1c(F)cc(Br)cc1F 195898824 YPYLZFDKARZCCA-UHFFFAOYSA-N 307.254 4.443 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCCc2ccccc21 219586371 WERFAOFFWWKZEZ-LJQANCHMSA-N 309.409 4.132 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1cc(Cl)ccc1Cl 222563929 VHWDUXFKMOPGIY-UHFFFAOYSA-N 322.195 4.222 0 40 DIAB CCOCc1cc(C(=O)Nc2ccccc2C)ccc1OCC 224693493 PIHCLXRLNBBHSQ-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCCC1 225706098 AXLCDUSZTIPIAI-AWEZNQCLSA-N 305.418 4.152 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1)C1CC1 225722395 WDMWATKLJHXLGX-ACJLOTCBSA-N 305.418 4.008 0 40 DIAB CCn1c(CNCc2ccc(OC)cc2)ccc1CC(C)C 226020448 MTAZPKAAWNVZBF-UHFFFAOYSA-N 300.446 4.005 0 40 DIAB O=C(COCc1ccccc1)c1cc(F)cc(C(F)(F)F)c1 394722642 MCCZKOSYIZXNRT-UHFFFAOYSA-N 312.262 4.244 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1ccccc1 408576162 SFJDRXDXWPLMBX-HOTGVXAUSA-N 313.466 4.305 0 40 DIAB S=C(Nc1ccc2conc2c1)N1CC[C@@H](c2ccccc2)C1 409202416 RXLHLQJUOFJPCD-CQSZACIVSA-N 323.421 4.014 0 40 DIAB O=S(=O)(c1ccc2ccccc2c1)[C@H]1C[C@H]1c1ccccc1 399865 VDIAJAOJFDLKAO-OALUTQOASA-N 308.402 4.170 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1cccc(Cl)c1 2517222 MSORHYXMDDKFRB-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB O=C(NCc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 3093755 HQAKEQFBRJGYFW-UHFFFAOYSA-N 319.379 4.274 0 40 DIAB CCCCCCC(=O)[C@@H]1O[C@@H]1CCCCCCCCC(=O)O 4410611 UMXHXBIKJIORIB-AEFFLSMTSA-N 312.450 4.499 0 40 DIAB Clc1cccc(-c2nn3c(-c4cccs4)nnc3s2)c1 4511845 IZTPOTRTJAZCSG-UHFFFAOYSA-N 318.814 4.235 0 40 DIAB C[C@@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1 5530893 WOSYBQOLZHTIIG-MRXNPFEDSA-N 305.830 4.415 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 5981571 JIEZSDBKBOUKKC-UHFFFAOYSA-N 308.425 4.233 0 40 DIAB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(C)c2)cc1 8276660 IBIDQSFQMZABNL-HNNXBMFYSA-N 310.393 4.376 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 8495553 PLRRSKDXQBXCRR-INIZCTEOSA-N 309.837 4.336 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1 8498615 YVPPAJIUZWZLFM-INIZCTEOSA-N 319.788 4.145 0 40 DIAB Cc1ccccc1/N=C/c1c(OCC(=O)O)ccc2ccccc12 8570798 UZYRTAKJEOSHDO-CIAFOILYSA-N 319.360 4.362 0 40 DIAB O=C(NCCc1ccccc1)c1cc(F)c(Cl)cc1Cl 8986779 QWCZFHUJYNWWAF-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB CCOc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 9251028 VUSWNSOREXTNTO-UHFFFAOYSA-N 313.372 4.029 0 40 DIAB CC1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1 11240031 PSDJQZIRYFFVOU-UHFFFAOYSA-N 317.820 4.039 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(F)cc1Cl)C2 11376539 VDRQZKUENBGMAY-HNNXBMFYSA-N 321.804 4.443 0 40 DIAB CC(C)Cn1c(S)nnc1COc1ccc(C(C)(C)C)cc1 11692601 SPUHUCHVBIKPGL-UHFFFAOYSA-N 319.474 4.099 0 40 DIAB Cc1ccc2[nH]c(=O)c(CNc3cccc(Cl)c3C)cc2c1 12492459 BTJNQRJTBIXTHA-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCCCCC1 12543575 CDJWHBOXVOYDGP-UHFFFAOYSA-N 324.424 4.212 0 40 DIAB Cc1cccc(C)c1NC(=O)Cc1nc(-c2ccccc2)oc1C 12814349 CELFYWYZKCNWMH-UHFFFAOYSA-N 320.392 4.448 0 40 DIAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(C)cc1 13816316 SWPKSGYOAILYGZ-CQSZACIVSA-N 314.454 4.441 0 40 DIAB Cc1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)n1 17032245 JTNASCSMUJFNPE-UHFFFAOYSA-N 311.332 4.218 0 40 DIAB c1ccc(C2N3[C@@H](c4ccccc4)N[C@H](c4ccccc4)N23)cc1 19167223 TXHUTFVKKSFFFY-KIRVNFFNSA-N 313.404 4.219 0 40 DIAB CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)cc1 20040871 DTRQWTUKQMRKQB-IBGZPJMESA-N 311.425 4.122 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1 20106509 ZQXMEZOXGLOQAJ-CYBMUJFWSA-N 301.361 4.355 0 40 DIAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccs1 20139444 CUFPRSFEDAYUBY-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB CC1CCN(C(=O)c2sc3c(N)cccc3c2Cl)CC1 20160162 QZUOTYMQEIEQJF-UHFFFAOYSA-N 308.834 4.009 0 40 DIAB CC(=O)c1cccc(NCC(=O)Nc2cccc(C(C)C)c2)c1 22694993 CUHPHBMBWUDREQ-UHFFFAOYSA-N 310.397 4.063 0 40 DIAB O=C(c1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29226325 RWELARNWKDDYAB-OAQYLSRUSA-N 313.400 4.475 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1 30856059 HWNMMZUGKRLWLJ-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB CC[C@H](NC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2 32841221 AOXONUZUOGCJNE-QBNKABOXSA-N 316.445 4.074 0 40 DIAB O=C(Nc1cccs1)Nc1nc2c(F)cc(F)cc2s1 38671432 AUANCTRWUMOBCZ-UHFFFAOYSA-N 311.338 4.280 0 40 DIAB CN(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 39330321 YIZBTRDXJOFLIH-UHFFFAOYSA-N 323.223 4.368 0 40 DIAB in-vitro Cc1ccc(Oc2ccc(NC(=O)c3ccco3)cn2)cc1C 40122692 XWJHLAYQYXHILY-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB Cc1ccccc1NCCC(=O)N(C)Cc1cccc(Cl)c1 40159650 VBOYGCSFAUGHGH-UHFFFAOYSA-N 316.832 4.109 0 40 DIAB Cc1ccc(C)c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 40525209 AUJMQYGXYYNZER-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB Clc1cc(Cl)c(OCC[C@H]2CCCNC2)cc1Cl 42772320 HSKSSGATUILFKU-SECBINFHSA-N 308.636 4.415 0 40 DIAB COc1cccc(NC(=O)CS[C@H](C)c2ccc(F)cc2)c1 45091037 CKTFNUXHZWBODU-GFCCVEGCSA-N 319.401 4.267 0 40 DIAB C/C=C/C(=O)Nc1ccccc1-c1ccc(-c2ccn[nH]2)cc1 67605390 LODRCZWTOYDXGY-GORDUTHDSA-N 303.365 4.258 0 40 DIAB CCc1ccc(NCCC(=O)c2cc3ccccc3oc2=O)cc1 72422415 WOJVLZHYKFVZAZ-UHFFFAOYSA-N 321.376 4.040 0 40 DIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 89522667 PEZAAVONMWCGRI-AWEZNQCLSA-N 318.808 4.049 0 40 DIAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1cccc(Cl)c1Cl 95095897 AMEMVQAREBLVMN-WKEGUHRASA-N 301.091 4.012 0 40 DIAB CC(C)C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 95949717 WZWHHZCLRSANTB-RDTXWAMCSA-N 323.440 4.294 0 40 DIAB Cc1cccnc1CSCc1csc([C@@H]2CCCO2)n1 95991027 AKFDNYUEGGIFOY-AWEZNQCLSA-N 306.456 4.131 0 40 DIAB c1csc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193987 GWXZQIQHZMLDOJ-UHFFFAOYSA-N 324.390 4.328 0 40 DIAB Brc1ccc(C2OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)cc1 100217121 ZOJDOLXPTOICHP-UYSYKMHKSA-N 321.214 4.077 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1C 109767118 JONXFFJCEFZENS-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB Cc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1Cl 224115797 AHUQAKXMAXLWCZ-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1CCCCC1 224130636 AIRMEMMMEBQHLM-HNNXBMFYSA-N 317.473 4.448 0 40 DIAB CCCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OC 224411813 NAJFHRRRMSQDCY-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1CCCCC1 225203489 QAUCBPQVNKHRCV-HNNXBMFYSA-N 315.457 4.029 0 40 DIAB CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1C 225441747 ZHHHBEFNYHUGRC-QGZVFWFLSA-N 301.817 4.458 0 40 DIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C)c1 225746028 YXTCEPYAZQPYNU-SFHVURJKSA-N 307.434 4.318 0 40 DIAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 226077 NUCIOKCGONGUES-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB Oc1cccc(Cn2c(-c3cccc(O)c3)nc3ccccc32)c1 462806 MASQLINNHLINPX-UHFFFAOYSA-N 316.360 4.163 0 40 DIAB CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1 551087 RTRGJXSHTFYFDT-UHFFFAOYSA-N 316.426 4.356 0 40 DIAB Cc1cccnc1NC(=O)C1c2ccccc2Oc2ccccc21 997249 ZLQKQXUVVJEOBM-UHFFFAOYSA-N 316.360 4.266 0 40 DIAB CC[C@H](c1cccc(OC)c1)[C@@H](C(=O)O)c1ccc(OC)cc1 1724400 YSWXNSSNXKEMCA-MSOLQXFVSA-N 314.381 4.066 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 2625159 KGZRGDNZZAFHOQ-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1C(F)(F)F 3407467 AOSNKDGTBIEGPD-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB Cc1nc(C)c(-c2csc(Nc3ncccc3C)n2)s1 4458444 ZQHYUOOGLVKSQZ-UHFFFAOYSA-N 302.428 4.330 0 40 DIAB COc1cc(NC(=O)Nc2cccc(Cl)c2)cc(OC)c1 6169970 YYLVNSYDWQVDSG-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB COC(=O)c1cc(-c2cccc(OC)c2)nc2ccc(C)cc12 6279252 HPPUCKOFWFCKMT-UHFFFAOYSA-N 307.349 4.005 0 40 DIAB O=C(/C=C/c1nc2ccccc2s1)Nc1cc(F)ccc1F 6376536 FGOVOPCHVOCNSP-BQYQJAHWSA-N 316.332 4.226 0 40 DIAB Cc1cnc(NC(=O)c2ccccc2OCc2ccccc2)s1 6969093 IOKUFBVTLZWQPH-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(N2CCCCC2)cc1 7504576 COGCMZOLUWDGMG-UHFFFAOYSA-N 300.446 4.130 0 40 DIAB CC[C@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524701 SCKAFJMISVPZKW-CYBMUJFWSA-N 314.212 4.114 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1ccc(COC(C)C)cc1 7541655 UOJXAMMANWCSIX-UHFFFAOYSA-N 301.361 4.311 0 40 DIAB Cc1cc(NC[C@H](c2ccccc2)N(C)C)nc2ccccc12 7735874 AJLYMXUBVHRIBI-LJQANCHMSA-N 305.425 4.258 0 40 DIAB CC(C)C(NC(=O)COc1ccccc1C(C)(C)C)C(C)C 8477874 MEADPZCJBIWZPS-UHFFFAOYSA-N 305.462 4.160 0 40 DIAB Cc1ccc2oc(Nc3nc(O)cc(-c4ccccc4)n3)nc2c1 8973834 ZSUJHRAMBUDSCS-UHFFFAOYSA-N 318.336 4.042 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Br)o2)c(Cl)c1 9155316 KKFPSKCPMKSBFR-UHFFFAOYSA-N 314.566 4.256 0 40 DIAB CC(=O)Nc1ccc(NC(=O)CCC(C)C)c(C(F)(F)F)c1 12776301 SCGAPKNYAXTGDM-UHFFFAOYSA-N 316.323 4.039 0 40 DIAB O=C(O)c1cccnc1Nc1ccc(OCc2ccccc2)cc1 13090312 DVFPUGJZPOFUGH-UHFFFAOYSA-N 320.348 4.102 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cc(-c3ccccc3)no2)cc1 13624995 XAFIJQVIHVKKDR-FMIVXFBMSA-N 320.348 4.002 0 40 DIAB Sc1nc(-c2ccc(Br)cc2)nc2ccccc12 13685343 MKWVNTQJXOEFFY-UHFFFAOYSA-N 317.211 4.348 0 40 DIAB in-vitro Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)c(C)c1 14393193 LDQLYTAVHIDQOU-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CC12CCC2 19334829 ZGWKSHYXZAZERJ-CQSZACIVSA-N 316.401 4.002 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(F)c1 20029681 ZXLFBAACKKURCQ-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 20040066 XNDZQHCDICHCMH-UHFFFAOYSA-N 310.441 4.018 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C)cc1 20490369 HTBXHHJZRMVCGX-MRXNPFEDSA-N 317.816 4.122 0 40 DIAB O=C1c2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C[C@@H]1O 22056054 KVZFTTORFMNPDL-WFASDCNBSA-N 307.176 4.073 0 40 DIAB COc1c(Cl)cc(-c2nc3cc(N)ccc3[nH]2)cc1Cl 22124678 XJISZTMRZKOIQV-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB CC(C)n1nccc1NC(=O)c1cc(Cl)sc1Cl 22289921 DGVANTIMMOGVDJ-UHFFFAOYSA-N 304.202 4.085 0 40 DIAB Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)c(C)o1 24969666 HZPUZUSCIXRAJA-UHFFFAOYSA-N 300.745 4.350 0 40 DIAB Oc1ccc(SCc2nnc(-c3ccc(Cl)cc3)o2)cc1 38078763 ZEEZILJOQGBWEN-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB O=C(c1ccccc1F)N1CCSc2ccc(Cl)cc21 40071178 MIKTWIGEKGPJBT-UHFFFAOYSA-N 307.777 4.232 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2cccs2)o1 40139477 DDGLXBSMVNCDAR-OLZOCXBDSA-N 304.415 4.257 0 40 DIAB Cc1cccc(NC(=S)N[C@H](C)COc2ccccc2C)c1 63790283 NTAYTYNLDPTVOM-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 73638572 YNVUEXJVIXGXKU-UHFFFAOYSA-N 306.394 4.082 0 40 DIAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1 76555549 QSQVQKMQRPAPAT-LJQANCHMSA-N 324.424 4.339 0 40 DIAB Brc1cc(CSC[C@@H]2CCCCO2)cs1 195540188 QGSLQDVICUGGOB-JTQLQIEISA-N 307.278 4.313 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[C@H](C)C2)c1 224378603 KBBKUPCOVGEDRI-HOTGVXAUSA-N 303.446 4.144 0 40 DIAB Cc1cccnc1-c1noc(-c2ccc([C@@H]3CCCOC3)cc2)n1 329596269 VRZBNOMWHNQPTD-MRXNPFEDSA-N 321.380 4.001 0 40 DIAB Cc1ccccc1C(=O)NCc1nc(C2CCCCC2)cs1 390829340 DSLMDDBOQCAKQZ-UHFFFAOYSA-N 314.454 4.429 0 40 DIAB c1ccc([C@@H]2C[C@H](Nc3ccc(-c4cnco4)cc3)CCN2)cc1 518339176 QFRKFRMZBCNLQO-MOPGFXCFSA-N 319.408 4.247 0 40 DIAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(F)cc1 266470 NWJICWDUTQURFJ-UHFFFAOYSA-N 314.337 4.462 0 40 DIAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccco1 556587 RQUZVOBZCIKRPE-UHFFFAOYSA-N 304.777 4.176 0 40 DIAB CC(C)C(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 560774 SYQGYMPYTAZVQU-UHFFFAOYSA-N 320.392 4.119 0 40 DIAB CCOc1ccccc1NC(=O)Nc1ccccc1OCC 2166349 LICRXIXPUKEQLJ-UHFFFAOYSA-N 300.358 4.128 0 40 DIAB O=C(CN1CCCCCCC1)Nc1cc(Cl)cc(Cl)c1 3456267 KZEBJTMQOJMCMY-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1ccccc1Cl 3602883 FZJMGDRDQPDMRG-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 4696323 QRAAITMEMUOTSN-UHFFFAOYSA-N 314.360 4.207 0 40 DIAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 6515653 YCTVOFZUXXLTPH-CMDGGOBGSA-N 310.397 4.168 0 40 DIAB COc1ccc([C@H](NC(=O)c2ccc(F)cc2F)C(C)C)cc1 7922893 FSWAQXTZDDMHDQ-QGZVFWFLSA-N 319.351 4.101 0 40 DIAB CC[C@@H]1c2ccsc2CCN1c1ncnc2sccc12 8324342 MMXLFWVQEHRDST-GFCCVEGCSA-N 301.440 4.267 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)NCCSC1CCCCC1 8480459 SYCKFHCINRWDDQ-KRWDZBQOSA-N 321.486 4.026 0 40 DIAB c1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 9530939 JZPOFHNXOHVOEY-UHFFFAOYSA-N 317.377 4.001 0 40 DIAB COc1cccc2cc(C(=O)NCCCc3cccc(C)c3)oc12 10110809 GUYBSICFFMMHAH-UHFFFAOYSA-N 323.392 4.112 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCCC3)cc2)c(C)c1 10330878 TUPLZTBKVDGSKZ-UHFFFAOYSA-N 322.452 4.460 0 40 DIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC=CCC1 10427317 ZSBOGPUIPHYUOH-HNNXBMFYSA-N 317.392 4.320 0 40 DIAB Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1F 12422264 OXXIWDDBAKEUAW-UHFFFAOYSA-N 316.357 4.032 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Nc2cccc3ccccc23)c1 12561219 HRTJTDVINYPVSH-AWEZNQCLSA-N 320.392 4.288 0 40 DIAB COCCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccccc1 13564309 DFWDCHUBKNBNAF-FMQUCBEESA-N 324.449 4.404 0 40 DIAB CCn1nc(C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 13656593 NFRHXLYCWZGCEY-UHFFFAOYSA-N 321.380 4.256 0 40 DIAB CC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1 14095322 IPYGFSLTNLWAIQ-UHFFFAOYSA-N 322.339 4.137 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 14573258 QHKXRLGCBQJQJZ-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1csc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 15007173 NDHAYFQVXOYKSV-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB O=C(Nc1ncccn1)c1sc2cc(Cl)ccc2c1Cl 21210944 NRUWMXQCHNCDLM-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(C(F)(F)F)cc1 30116367 DZXXBFJJIOXPBU-SNVBAGLBSA-N 313.344 4.187 0 40 DIAB CSc1cccc(NS(=O)(=O)/C=C/c2ccc(C)cc2)c1 55548311 GMCBXHCGNLMAJR-ZHACJKMWSA-N 319.451 4.130 0 40 DIAB CC(C)c1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c(=O)c2c1 57771597 KLRJCSLYPGPJGP-UHFFFAOYSA-N 317.392 4.119 0 40 DIAB CCN(C(=O)[C@H]1Cc2ccccc2S1)c1cc(C)cc(C)c1 58169263 SVOZANLAYATZTP-GOSISDBHSA-N 311.450 4.373 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CCC[C@H](C(F)(F)F)C1 65538061 SUFIBYOVFGWJLQ-LBPRGKRZSA-N 323.318 4.041 0 40 DIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccccn2)cc1C 71836510 YGUKEUZTCWKERY-NLWGTHIKSA-N 320.436 4.166 0 40 DIAB CCCN1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219179 RMTRZWIRCAXBTP-SFHVURJKSA-N 301.478 4.317 0 40 DIAB CCN1CC=C(c2nc3ccc(Br)cc3s2)CC1 73638879 GQLDKHSOPNEADO-UHFFFAOYSA-N 323.259 4.168 0 40 DIAB c1ccc2c(c1)oc1c(N[C@H](c3nccs3)C3CC3)ncnc12 76061033 MQNWISURXKHQJJ-ZDUSSCGKSA-N 322.393 4.396 0 40 DIAB CC(C)(C)c1csc(C2CCN(C(=O)c3ccco3)CC2)n1 89725231 SNAUIVMJOKPERR-UHFFFAOYSA-N 318.442 4.053 0 40 DIAB C[C@@H](NC(=O)c1cncc2ccccc12)c1cccc(F)c1F 95980714 BMMUPMWRBKRUET-LLVKDONJSA-N 312.319 4.004 0 40 DIAB Cc1ccccc1[C@@H](NCc1noc(-c2ccoc2)n1)C(C)C 95985099 QGWDZMISXJEWTJ-KRWDZBQOSA-N 311.385 4.125 0 40 DIAB Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1ccccc1 100522662 DATPGJYGBPRLHB-UHFFFAOYSA-N 307.378 4.042 0 40 DIAB C[C@H](NCc1csc(-c2ccccn2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108058353 BRMCZKBPVDKMGT-YXWQFLTLSA-N 313.470 4.119 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCc2ccccc2C1 216386978 PVWWBGQBIDOMFZ-IBGZPJMESA-N 323.436 4.046 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1 223032190 CDANVZOXWATWIC-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CCCCOc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1 226274556 HJSFHCXPXDMGHK-AWEZNQCLSA-N 313.397 4.171 0 40 DIAB Cc1nc(-c2ccc(C(=O)Nc3cccc(O)c3)cc2)cs1 349941288 WQARIGGLUCPITF-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB CCSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 409107054 PXRMJKLRHRVUHK-UHFFFAOYSA-N 313.401 4.109 0 40 DIAB COC(=O)c1cc(C)nc(Oc2ccc(-c3ccccc3)cc2)n1 552884392 UDTPBZLLEPFWQU-UHFFFAOYSA-N 320.348 4.031 0 40 DIAB COC(=O)c1c(/C=C/c2cc3ccccc3[nH]2)cccc1OC 613844417 FMAFQRILRTXEAG-ZHACJKMWSA-N 307.349 4.134 0 40 DIAB Cc1ccc(N2COc3ccc(Br)cc3C2)cc1 111223 WFJUPMOVSRCBIR-UHFFFAOYSA-N 304.187 4.114 0 40 DIAB Cc1ccc2cc(C)c3nnc(SCc4cccnc4)n3c2c1 416398 OTCYQSKOEIEDNY-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB C[C@H]1Oc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O 1328528 LWQMBBWDXKPHEZ-LLVKDONJSA-N 321.298 4.020 0 40 DIAB CCCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 2080117 VJPAJSYCTZRHLF-LLVKDONJSA-N 318.244 4.457 0 40 DIAB CC(C)CC[C@H](CCN1CCCC1)c1ccc2c(c1)OCO2 2343038 WLFDIVSMVXWZBA-MRXNPFEDSA-N 303.446 4.421 0 40 DIAB CC(=O)c1cccc(NC(=O)c2csc3c2CC[C@H](C)C3)c1 2708112 QUJSVIBXHZXQQK-NSHDSACASA-N 313.422 4.328 0 40 DIAB O=C(CSc1nccc2ccccc12)Nc1ccc(F)cc1 4139531 IZUYNWLDLWGWID-UHFFFAOYSA-N 312.369 4.105 0 40 DIAB CSc1nc2ccccc2n1C(=O)/C=C/c1cccs1 4275651 OYIAWWHVADEFEU-CMDGGOBGSA-N 300.408 4.173 0 40 DIAB CCCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)cc1 4539039 KQUNMAORKQRHRL-HXUWFJFHSA-N 322.408 4.173 0 40 DIAB S=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1 4589193 FWXMFQQWIVSAMX-UHFFFAOYSA-N 304.846 4.259 0 40 DIAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(N=O)c2ccccc21 4616593 TVSOZIYRALRJMJ-SCLBCKFNSA-N 309.369 4.061 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 5548240 FAZRBVDIHGORCI-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1ccc(-n2c(=O)c(-c3cccs3)nc3ccccc32)cc1 6558870 WGKWSLAQNWZOTM-UHFFFAOYSA-N 318.401 4.423 0 40 DIAB CN1C(=O)Cc2cc(-c3csc(-c4ccsc4)n3)ccc21 8102922 JAEAWNOLCIHXIR-UHFFFAOYSA-N 312.419 4.058 0 40 DIAB Cc1c(C(=O)OCc2nc3ccccc3o2)oc2ccccc12 8573764 VTRNCJJEGLBRFF-UHFFFAOYSA-N 307.305 4.239 0 40 DIAB CC[C@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)O 8732918 PYKXQAKATHEIJD-LBPRGKRZSA-N 309.431 4.017 0 40 DIAB CC(C)COc1cccc(NC(=O)c2ccc(F)cc2F)c1 12137894 NVHGRSQBJQAPFK-UHFFFAOYSA-N 305.324 4.252 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3C)cc2c1 12493161 HJCXMQZYQHJOGB-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 12768650 WZWHYMXNZGEHFA-SMDDNHRTSA-N 314.351 4.083 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C)cc1 12904675 NRRKDIIZUSLLEX-RDPWEWGOSA-N 321.420 4.381 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1 12974922 BBUNFPIVALHJNI-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CCCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(O)c1Cl 18222806 AKGFPQJRPGRAON-UHFFFAOYSA-N 319.767 4.155 0 40 DIAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 18245064 NGNHDKYUZUOJMK-HZPDHXFCSA-N 319.360 4.266 0 40 DIAB Nc1ccc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 19771856 GDURUTGUMYHQNP-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@H](C)C1 20490410 URJKFHTXVUQXNI-HNAYVOBHSA-N 311.425 4.256 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)cc1 20493910 SNDRKHQGEZAUAA-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB C[C@@H](NCc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 22076469 PZQNNDCAUSTISI-FOIQADDNSA-N 307.393 4.158 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)c(C)c1 28463458 KYDNSFWJQAALJP-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB O=C(CCC1CCCC1)Nc1cccc(OC[C@@H]2CCCO2)c1 36739608 ZNMPBQHHYRDSDW-SFHVURJKSA-N 317.429 4.153 0 40 DIAB O[C@H](Cc1ccc(Br)cc1)c1ccc(Cl)cc1 37532325 DEDQKJKPEJJKKD-CQSZACIVSA-N 311.606 4.379 0 40 DIAB in-vitro CC(=O)c1ccc(OC(=O)c2cnc(-c3ccccc3)s2)cc1 40128206 JDXIAOFZGADWAH-UHFFFAOYSA-N 323.373 4.232 0 40 DIAB CCOc1ccc(C(=O)Nc2ccnn2C2CCCCC2)cc1 40159721 IZXSABYMAAUHPH-UHFFFAOYSA-N 313.401 4.039 0 40 DIAB CN(Cc1ccsc1)C(=O)Nc1ccc(C(F)(F)F)cc1 43278267 BXBDRDPGVMNEKU-UHFFFAOYSA-N 314.332 4.431 0 40 DIAB O=C(NCc1ccc(F)cc1Cl)Nc1ccccc1Cl 44845540 BBYPUWQSRFOZMK-UHFFFAOYSA-N 313.159 4.454 0 40 DIAB Cc1ccc(CN(C)C(=O)CCSc2ccc(C)cc2)cc1 44900735 BRDOBQSWORIIPX-UHFFFAOYSA-N 313.466 4.444 0 40 DIAB Cc1ccc2cc3c(nc2c1C)OCCN(Cc1ccccc1)C3 57710202 VGPGJZCXWQHGGU-UHFFFAOYSA-N 318.420 4.246 0 40 DIAB C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl 75107186 ILMOLADZJLPHSM-OCCSQVGLSA-N 317.791 4.497 0 40 DIAB CC(C)(C)OC(=O)N1CC[C@@H](Sc2ccc(Cl)cc2)C1 79439713 MEYYYYJAZMMAHH-CYBMUJFWSA-N 313.850 4.442 0 40 DIAB CC(C)(C)OC(=O)N(Cc1ccc(C(=O)O)cc1)C1CCCC1 83348293 ZDODNOMMABQISZ-UHFFFAOYSA-N 319.401 4.065 0 40 DIAB [O-][n+]1ccccc1SCCCOc1cccc2ccccc12 84598613 PLFPLOWNLXQBHR-UHFFFAOYSA-N 311.406 4.034 0 40 DIAB COC(=O)Nc1ccc(CN[C@@H](C)c2ccc(Cl)s2)cc1 95420438 QKIBAABBDWFCEH-JTQLQIEISA-N 324.833 4.431 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586374 USXUQLHXRPSZBC-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccccc1 222976123 OUBZGTMBOPPFLV-QFBILLFUSA-N 311.425 4.338 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 260812502 DMGVFFUMIXHRDH-DOXZYTNZSA-N 319.445 4.398 0 40 DIAB COc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1O 417883 UQWQFRARGXGMHQ-UHFFFAOYSA-N 323.396 4.070 0 40 DIAB CC(C)CN(CC(C)C)C(=O)c1ccc(Br)cc1 3158389 GAVKUOOZJJJOIC-UHFFFAOYSA-N 312.251 4.203 0 40 DIAB Fc1cccc(-c2nnc(S)n2-c2ccc(Cl)cc2)c1 4973837 YLMSIYVHOSQBTF-UHFFFAOYSA-N 305.765 4.016 0 40 DIAB COc1ccc(C)cc1CSc1nc(-c2cccs2)n[nH]1 5315747 OIBYDIXZOSTJJC-UHFFFAOYSA-N 317.439 4.143 0 40 DIAB CC(=O)Oc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O 5606179 BMSVQNSWDDIQQK-UHFFFAOYSA-N 314.724 4.039 0 40 DIAB c1cc2c(cc1-c1nnc(SCC3CCCCC3)o1)OCO2 6035618 KEJKBHQRZRQURL-UHFFFAOYSA-N 318.398 4.138 0 40 DIAB Cc1n[nH]c2c1[C@H](c1ccc3ccccc3c1)S[C@H](C)C(=O)N2 6678459 CVDLSEXVSGVCDF-BZNIZROVSA-N 323.421 4.035 0 40 DIAB Cc1[nH]c2ccc(C(=O)NCc3cccc(Cl)c3)cc2c1C 6758439 MJIODMJALXSWQW-UHFFFAOYSA-N 312.800 4.368 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1C 7547588 GEUIDNZIBORCNX-GOSISDBHSA-N 324.424 4.176 0 40 DIAB CCc1ccc(OCCn2c([C@@H](O)CC)nc3ccccc32)cc1 7547885 FSYLTZILMORDEW-IBGZPJMESA-N 324.424 4.121 0 40 DIAB Cc1ccc(OCCC(=O)Nc2cccc(Cl)c2C)cc1 7670202 BLJDSWVJBSCCIX-UHFFFAOYSA-N 303.789 4.364 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1C 8918999 SNCAWKLVRMZNPT-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 12935959 QSUAFIYTWBPQKL-INIZCTEOSA-N 303.764 4.360 0 40 DIAB CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)cc1 14306004 XADLINZDTIJUOG-MRXNPFEDSA-N 321.779 4.369 0 40 DIAB Cc1ccc(Sc2ncccc2C(=O)NCCC(C)C)cc1 14831099 BXRVHYJZBDILJS-UHFFFAOYSA-N 314.454 4.317 0 40 DIAB Oc1ccc(-c2nc3ncccn3c2NC2CCCCCC2)cc1 15414259 AQNUREBFIXNXSA-UHFFFAOYSA-N 322.412 4.237 0 40 DIAB COc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 19477865 VPWXGIFFWZIIBP-UHFFFAOYSA-N 321.174 4.102 0 40 DIAB Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)nc2ccccc12 19714193 NVJGGNQNIVRQMN-QGZVFWFLSA-N 316.404 4.173 0 40 DIAB Cc1cc2c(c(C)c1Cl)CN(CCc1ccc(F)cc1)CO2 19848814 NHDPGXSLYXIUBR-UHFFFAOYSA-N 319.807 4.491 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1 20035060 QOWLNOCLTFESJP-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB C/C=C/c1ccc(OCc2nc3ccc(C)cc3[nH]2)c(OC)c1 21658816 PUNLQIVFCJIYGT-SNAWJCMRSA-N 308.381 4.492 0 40 DIAB biogenic Cc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)cc1C 26044776 FMWOTOUMSPAATB-KRWDZBQOSA-N 314.454 4.483 0 40 DIAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccccc2)no1 32922756 RCWIVBMNIZBDHK-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB CCN(C(=O)c1c(-c2ccccc2)noc1C)C1CCCCC1 39361383 AWMLOIHTRQOQBL-UHFFFAOYSA-N 312.413 4.445 0 40 DIAB Cc1cccc(NC(=O)CCc2csc(-c3ccncc3)n2)c1 41182979 ICCGEHGFDDOPCH-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB CC(C)c1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1 46882745 WYXVJJUQKLZDHJ-UHFFFAOYSA-N 307.397 4.258 0 40 DIAB Cc1cccc(CN(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 58017360 DSWJNGNARUPDDL-UHFFFAOYSA-N 319.452 4.430 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1Cl 60873433 DQIQRUXKVRJLNA-ZIAGYGMSSA-N 317.816 4.293 0 40 DIAB COc1ccc2oc(C)c(C(=O)N3c4ccccc4C[C@@H]3C)c2c1 65610953 IAHNBFVGWGCGCB-LBPRGKRZSA-N 321.376 4.341 0 40 DIAB C[C@@H](c1ccncc1)N1CCC(N[C@H](C)c2cccs2)CC1 90667860 HTBRMQZBDPHVJK-CABCVRRESA-N 315.486 4.019 0 40 DIAB O=C(c1ccc2ccccc2c1)N1CC=C(C(F)(F)F)CC1 95441539 BYZGYYXLILJMKM-UHFFFAOYSA-N 305.299 4.174 0 40 DIAB CC[C@@H](NC1CCSCC1)c1nc(C(F)(F)F)cs1 95968792 MKMXTQMSMBXLFV-SECBINFHSA-N 310.410 4.098 0 40 DIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](c1ccco1)C(C)(C)C 96486907 IWYFWBBDSWRKQK-APPDUMDISA-N 317.433 4.017 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1C 113960733 HYJXMLFFGZCWBO-OXJNMPFZSA-N 323.436 4.265 0 40 DIAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225133112 PMLNUTZOSBRCRO-LJQANCHMSA-N 323.436 4.212 0 40 DIAB CC(C)[C@H](C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 225229866 HONOJNWAIDYYTJ-JTQLQIEISA-N 320.285 4.387 0 40 DIAB O=C(c1ccc(Br)cc1Cl)C(F)(F)Cl 307707642 HSOBQCKAUBNTQG-UHFFFAOYSA-N 303.917 4.117 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)cc1 408528583 JKEJPDALTSAJID-UHFFFAOYSA-N 324.767 4.325 0 40 DIAB Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 127343 QBGIEWLTLCNRED-UHFFFAOYSA-N 312.372 4.361 0 40 DIAB COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 559734 OEUYZSMNIUPRSD-UHFFFAOYSA-N 324.424 4.184 0 40 DIAB Cn1c(=O)c(Oc2cc(Cl)cc(Cl)c2)nc2ccccc21 1382200 YXQFPFUKTDCPOJ-UHFFFAOYSA-N 321.163 4.033 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1 2664967 RZJUZYWEVXOWOG-UHFFFAOYSA-N 302.736 4.142 0 40 DIAB CCCCOC(=O)c1ccc(NC(=O)C2CCC(C)CC2)cc1 3108380 VYXJADAZWAXHQQ-UHFFFAOYSA-N 317.429 4.408 0 40 DIAB Clc1ccccc1CSc1nc(-c2ccccc2)n[nH]1 3550381 TYLQPGNONMXWOM-UHFFFAOYSA-N 301.802 4.417 0 40 DIAB Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1 4150170 HLHPYEQIFQNYFU-UHFFFAOYSA-N 321.409 4.213 0 40 DIAB COc1ccccc1-c1nc(S)c2c(n1)Oc1ccccc1C2 6009594 PXZUZVCSVGVCPZ-UHFFFAOYSA-N 322.389 4.137 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 6220476 ZYACVRDNANTWGW-SECBINFHSA-N 314.237 4.475 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C 6278293 IKNVCYTUBINTMM-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1ccc(-c2coc3cc4oc(=O)ccc4cc23)cc1OC 6624061 MCXCNKODGVMICM-UHFFFAOYSA-N 322.316 4.223 0 40 DIAB biogenic C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1 6980167 MUQBXVCFEDRIAC-MRXNPFEDSA-N 316.404 4.091 0 40 DIAB COC(=O)c1ccc(-c2ccc(CNC3CCCCC3)o2)cc1 7538705 CMKFCXCHBSRJPF-UHFFFAOYSA-N 313.397 4.156 0 40 DIAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 7706029 HGIYSPLYRNHPEJ-AWEZNQCLSA-N 311.400 4.124 0 40 DIAB COc1cc(CNC2CCCC2)ccc1OCc1cccs1 8472325 QRMBTVVCBJJBHE-UHFFFAOYSA-N 317.454 4.368 0 40 DIAB CSc1ccc(CN(C)C(=O)Nc2ccccc2F)cc1 9218356 DQQFPVALOFWOCO-UHFFFAOYSA-N 304.390 4.212 0 40 DIAB CC(C)[C@@H](NC(=O)N1CCc2sccc2C1)c1cccs1 9865827 ZVHSPUIHCIJCQR-OAHLLOKOSA-N 320.483 4.275 0 40 DIAB O=C(O)/C=C/c1ccccc1OCc1c(F)cccc1Cl 11887595 KTEHZTCZSNSMEM-CMDGGOBGSA-N 306.720 4.156 0 40 DIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H](C)C1 14168767 OQXTWBQFKULHGW-SNVBAGLBSA-N 306.456 4.052 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1F 15801061 DUVDMFRYROTMQW-LLVKDONJSA-N 307.365 4.225 0 40 DIAB CCc1nnc(NC(=O)c2oc3c(Cl)cccc3c2C)s1 15963199 VKHZGUVGUIUQPQ-UHFFFAOYSA-N 321.789 4.061 0 40 DIAB Cc1ccccc1/C=C/C(=O)Nc1nnc(-c2ccccc2)s1 18703325 NYWFHTKUEHZLTK-VAWYXSNFSA-N 321.405 4.165 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1F 22510174 JZBHVGQYXWDNHI-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB Cc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cn1 27759666 VKOMLABAYMAFMM-UHFFFAOYSA-N 300.361 4.214 0 40 DIAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2cc(C)ccc2c1 36636351 JZEANQOABOZANI-QGZVFWFLSA-N 317.454 4.101 0 40 DIAB COc1ccc([C@H]2CCN(C(=O)Nc3cccc(C)c3)C2)cc1 38566768 YNMJJYSEIZFKGO-INIZCTEOSA-N 310.397 4.025 0 40 DIAB Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c(Cl)c1 40105494 MPBNISIRMXHGIO-CJNGLKHVSA-N 324.852 4.365 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccnc2SC2CCCC2)C1 40156608 FLKQCNZUYRLMDP-ZIAGYGMSSA-N 318.486 4.234 0 40 DIAB Cc1ccc(CNNc2nc3c(Cl)cccc3s2)cc1 40542193 LZVBFLMYVTUUEV-UHFFFAOYSA-N 303.818 4.375 0 40 DIAB O=C(O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127158 OVXSJARAAGARCQ-UHFFFAOYSA-N 322.147 4.429 0 40 DIAB COc1ccc(/C=C/C(=O)NC(C)(C)CC(C)(C)C)cc1OC 57682120 CXCHRZOUMWAKFX-PKNBQFBNSA-N 319.445 4.048 0 40 DIAB O=C(Nc1cnc2ccccc2c1)Nc1cccc2cccnc12 65786720 CKWSSIYSYSVOSX-UHFFFAOYSA-N 314.348 4.427 0 40 DIAB CC(C)c1noc([C@@H](C)Sc2ccc3c(c2)OCCCO3)n1 84631099 JOOMFNHYCNYZOH-LLVKDONJSA-N 320.414 4.208 0 40 DIAB Cc1cc(OCc2noc3c2CCCC3)c2cccc(C)c2n1 95464685 VRDDCZRNCOMWNS-UHFFFAOYSA-N 308.381 4.297 0 40 DIAB CCOc1cc(C)ccc1CN[C@@H](C)c1cnn(C(C)C)c1 95969296 MAWCCNLOHOTERM-HNNXBMFYSA-N 301.434 4.022 0 40 DIAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(C(F)(F)F)cc1 100449381 VVCQMWSCLCCYFG-UMSPYCQHSA-N 314.303 4.169 0 40 DIAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cccc3ccccc23)C1 106551679 FSIXEABZFZUHLX-OWCLPIDISA-N 310.441 4.145 0 40 DIAB CC1(C)C[C@@H](NC(=O)CCc2ccccc2)c2ccccc2O1 121848280 WULAHWFQAGKHJK-QGZVFWFLSA-N 309.409 4.038 0 40 DIAB O=C(O)c1cccnc1Nc1ccc(Oc2ccccc2)cc1 196185110 DCODTKOVRHORRK-UHFFFAOYSA-N 306.321 4.316 0 40 DIAB CCCCN(CCCC)C(=O)c1ccc2nc(Cl)n(C)c2c1 222545194 LAJQGDLKDPCITQ-UHFFFAOYSA-N 321.852 4.269 0 40 DIAB CCc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225043253 PKYUBTKDQUFCRD-IBGZPJMESA-N 312.409 4.447 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1 569065 ZABZQUHVOCIAEK-CYBMUJFWSA-N 312.438 4.327 0 40 DIAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 574425 HDXBNASENZJUTH-UHFFFAOYSA-N 313.397 4.010 0 40 DIAB CCCC(=O)c1cc(CP(=O)(OCC)OCC)oc1C 1887709 WVEBAXZOMLODRP-UHFFFAOYSA-N 302.307 4.337 0 40 DIAB O=C(/C=C/c1ccccc1)OCCCC(F)(F)C(F)(F)F 2273241 XPNJMRVGBZLDDA-BQYQJAHWSA-N 308.246 4.221 0 40 DIAB Cc1ccsc1/C=C1\SC(=N)N(c2ccc(F)cc2)C1=O 3903063 JMVBZSIAWHLFTN-BPBFFJPSSA-N 318.398 4.251 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 4313804 IITBYMTWEXVUNF-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB C[C@@H](CCc1ccccc1)N1C(S)=N[C@H]2C=C(Cl)C=C[C@H]21 4363914 DGQPNDLUJBWOAD-VBNZEHGJSA-N 318.873 4.039 0 40 DIAB COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1OC 6377810 OZROZGWCOMPNBC-UHFFFAOYSA-N 319.445 4.495 0 40 DIAB [O-][n+]1c2c(n(O)c1C1CCCCC1)-c1cccc3cccc-2c13 6528428 HFLSDFOLTVKZEQ-UHFFFAOYSA-N 306.365 4.207 0 40 DIAB Cc1c(C(=O)NC(C)(C)C)oc2ccc(Br)cc12 7238833 KILCOBADSBITRU-UHFFFAOYSA-N 310.191 4.032 0 40 DIAB COc1ccc(-c2cc(NC(=O)C3CCC3)ccc2OC)cc1 7638998 NAHNMIDREYGMDI-UHFFFAOYSA-N 311.381 4.109 0 40 DIAB CCOc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1 7768511 OSDSMBDNTKREGA-UHFFFAOYSA-N 316.382 4.157 0 40 DIAB c1ccc2c(c1)oc1c(SC[C@H]3CCCCO3)ncnc12 8393362 RFUKQVCJKCQWFN-LLVKDONJSA-N 300.383 4.037 0 40 DIAB O=C(O)CCCc1c(-c2ccccn2)[nH]c2c(Cl)cccc12 8436789 ALIRYPMTWVLJAX-UHFFFAOYSA-N 314.772 4.291 0 40 DIAB CC(C)N1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 13691452 DIJPHZDEXKVRPA-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic Oc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)cnn12 15108164 FZRUKURIQYFEHQ-UHFFFAOYSA-N 321.767 4.422 0 40 DIAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 16014190 KWFQNVPGHHWHFY-IUODEOHRSA-N 322.433 4.482 0 40 DIAB CSc1ncccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C 18136035 RPFOYCXPZPUAQK-HNNXBMFYSA-N 318.417 4.070 0 40 DIAB COc1cc(C)c(NC(=O)Nc2cccc(Cl)c2)cc1OC 18176654 ADQZKGZJSSUOSD-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB Cc1cc(C(=O)Nc2cccc(Br)c2)sc1C 24006533 HFKOLVRUWSSUFX-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB Cc1ccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Cl 25167126 ASSOUPGYVYBMGV-UHFFFAOYSA-N 323.868 4.079 0 40 DIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1C 27383953 PZXXNWCPQYQHCW-HNNXBMFYSA-N 324.424 4.084 0 40 DIAB COc1ccc(F)cc1C(=O)c1ccc(Br)cc1C 36829465 RBLHCWHXKUJXOE-UHFFFAOYSA-N 323.161 4.136 0 40 DIAB Clc1cccc(Cl)c1-c1nc2cc3c(cc2[nH]1)OCCO3 36964439 WWZOJYZFMWMOFK-UHFFFAOYSA-N 321.163 4.308 0 40 DIAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c(C)c1 38833326 WGMALTLQSNSRMZ-IBGZPJMESA-N 322.452 4.154 0 40 DIAB CN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 40082768 FDNBJQRDEBGLEU-UHFFFAOYSA-N 311.772 4.007 0 40 DIAB O=C(NCc1ccccc1C(F)(F)F)Nc1ccc(F)cc1 44845334 PLLBVDZYCJINRN-UHFFFAOYSA-N 312.266 4.166 0 40 DIAB C[C@H](N(C)C(=O)c1ccc(-n2cc[nH]c2=S)cc1)C(C)(C)C 52448590 ZXKFJVUUYGSGFO-LBPRGKRZSA-N 317.458 4.041 0 40 DIAB CCOC(=O)c1ccc(N[C@@H](C)c2ccc(SC)cc2)nc1 71844446 YDJLFRIGLJWOJQ-LBPRGKRZSA-N 316.426 4.153 0 40 DIAB O=C(Nc1c(F)cccc1F)N1CCC(c2ccsc2)CC1 77103862 LDMPPCMCICLGSX-UHFFFAOYSA-N 322.380 4.438 0 40 DIAB Cc1oc(-c2ccccc2)nc1CCNCc1ccc(F)cc1 78758026 ZCDVSRBQBQKYRN-UHFFFAOYSA-N 310.372 4.121 0 40 DIAB CC(C)(C)SCCCC(=O)N1CCC[C@@H]1c1ccncc1 95435861 CHCVZFJDCJXMGF-OAHLLOKOSA-N 306.475 4.057 0 40 DIAB Clc1nc2ccccc2c(Cl)c1I 95611732 JPTQLEFVXKAWDY-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CCCC[C@@H]1C 95942303 WCXUJDUXMGBZEZ-SWLSCSKDSA-N 313.401 4.350 0 40 DIAB Cn1c(C(=O)NC2CCCCCC2)cc2c1c1ccccc1n2C 96037259 YTZUHFJHGSCQGZ-UHFFFAOYSA-N 323.440 4.123 0 40 DIAB COc1ccc(CC(=O)NCc2ccc3ccccc3c2)cc1C 222817744 UVOMLHJVDGWYGC-UHFFFAOYSA-N 319.404 4.016 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2F)cc1COC(C)C 224424186 OXANNNZSAPIXGA-UHFFFAOYSA-N 317.360 4.012 0 40 DIAB Cc1cccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225017732 SHHRWRWWXBVCLX-SFHVURJKSA-N 312.409 4.367 0 40 DIAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225469173 JWPOPIIYIVVDEQ-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1O 1565504884 ZYUBAIGTGFMEPF-UHFFFAOYSA-N 324.767 4.360 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Cl 49796 HEAVOBMAHAYADT-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cc1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 109536 ZNEBIGIOXZDJPT-INIZCTEOSA-N 319.408 4.196 0 40 DIAB O=C(Nc1ccc(F)cc1)/C(Br)=C/c1ccccc1 113595 ZXLZBMGXFRVFDE-UVTDQMKNSA-N 320.161 4.200 0 40 DIAB Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 185966 LRHPFSWHODARMH-UHFFFAOYSA-N 320.421 4.193 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1C 567848 NZOQODNWQIOVKE-JTQLQIEISA-N 300.427 4.137 0 40 DIAB COc1ccccc1Oc1ncnc2sc3c(c12)CCCC3 1098268 YDCKOLBKMYSQTP-UHFFFAOYSA-N 312.394 4.371 0 40 DIAB CO[C@H](c1ccccc1)c1c(-c2ccccc2)nn(C)c1Cl 1392097 GNFHAMHITFBPIH-QGZVFWFLSA-N 312.800 4.476 0 40 DIAB CC(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 3427530 NKNUMMPCFHXEOO-UHFFFAOYSA-N 306.409 4.264 0 40 DIAB CCOc1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1 5673341 YQUWAFSKGWMTDI-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 5897710 PHFNCTGMCPDDEZ-AATRIKPKSA-N 315.844 4.438 0 40 DIAB Cc1cc(C)cc(OCCNC(=O)Nc2cccc(Cl)c2)c1 6188787 WZSKJVLMXSFNEZ-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB CC(=O)c1c(C)n(CCOc2ccc(F)cc2)c2ccccc12 6721279 RXSUFOUOAUOFAT-UHFFFAOYSA-N 311.356 4.370 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 6828739 ZNPZZRYCWATNQP-IGJMFERPSA-N 315.269 4.468 0 40 DIAB c1ccc(-c2nc(NN3CCCCC3)nc3ccccc23)cc1 7814547 RCXOIQVZKWHKQV-UHFFFAOYSA-N 304.397 4.110 0 40 DIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)CCC2 8276354 MULAFQBATNBLPK-UHFFFAOYSA-N 317.791 4.240 0 40 DIAB CSc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 8394093 ZAUKWPCJYDIUIB-OAHLLOKOSA-N 315.463 4.375 0 40 DIAB Cc1cccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c1C 11693147 GZLXEBDMDDOPEG-UHFFFAOYSA-N 324.355 4.279 0 40 DIAB Cc1cccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 13004535 SWLGUYIFIVUMBJ-HNNXBMFYSA-N 316.401 4.493 0 40 DIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccco1 13005535 DVROZSDFBSHZCA-UHFFFAOYSA-N 310.378 4.144 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Sc2ccccc2)c1 13676377 FOKIMRWEKRHBML-ZDUSSCGKSA-N 301.411 4.205 0 40 DIAB CCc1cccc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1 15191421 YTNFXVOGYHIMKL-UHFFFAOYSA-N 323.223 4.440 0 40 DIAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnn2-c1ccccc1 20632677 VKBGAJXTNZGBEA-AWEZNQCLSA-N 322.795 4.438 0 40 DIAB Cc1cc(C)cc(N[C@H](C)C(=O)NCCC2=CCCCC2)c1 28874696 QXJJXNAKKHFZQY-MRXNPFEDSA-N 300.446 4.111 0 40 DIAB O[C@H]1CCCc2c(OCCCOc3ccc(F)cc3)cccc21 32741503 SRSLXSCMQMGJOG-SFHVURJKSA-N 316.372 4.043 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)c1 38756113 DNHROVYWESDTBG-SJORKVTESA-N 311.425 4.257 0 40 DIAB O=C(c1ccoc1)N(Cc1cccnc1)c1ccc(Cl)cc1 40122707 NMZFKGYIBILKSK-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB Clc1ccc(-c2nn3c(-c4ccsc4)nnc3s2)cc1 66087731 LMMFQVRBSFRKPG-UHFFFAOYSA-N 318.814 4.235 0 40 DIAB COc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 71416012 GKSTYSPLFFWIEG-GOSISDBHSA-N 313.422 4.091 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(Cl)c1 71761493 LGVDLUUXDYBVPG-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB O=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Cc1ccccc1 72220445 GIKQVOHQNIPQHM-UHFFFAOYSA-N 312.756 4.019 0 40 DIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NC(C)C)(C4)C2)C3)cc1 100648894 FTYKJOBQOANJJP-AMZMEHNNSA-N 311.469 4.358 0 40 DIAB CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 105572112 KGCDZNYGOHQKOX-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB O=C(c1ccoc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206995773 OBRNMIXJTFYYFQ-OAHLLOKOSA-N 321.829 4.253 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1 225719077 UNRAWUXZBAZJJY-UHFFFAOYSA-N 313.466 4.057 0 40 DIAB O=c1oc2ccccc2cc1-c1nnc(Nc2ccccc2)s1 194724 IHAYMHWGAWTJAC-UHFFFAOYSA-N 321.361 4.055 0 40 DIAB CCOC(=O)CSc1nc2cc(C)c(C)cc2cc1CC 412701 MUBLJFBRUHARDJ-UHFFFAOYSA-N 303.427 4.069 0 40 DIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1C 429398 IZWNGNNFNMTTGN-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB CCOC(=O)CCCCC(=O)c1ccc(Cl)c(Cl)c1 2580272 FYTFCGZSFPKBTC-UHFFFAOYSA-N 303.185 4.300 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCC1CCCCC1 3443692 PVPSYPUKACVKGL-ZDUSSCGKSA-N 309.837 4.112 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc(OC(F)F)cc2)c(C)c1 3547882 KEEUFHAEHAGIJG-UHFFFAOYSA-N 305.324 4.466 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 3549937 JMZSJOWMRGOORP-LJQANCHMSA-N 316.404 4.351 0 40 DIAB COc1ccc(-c2cc(C(=O)O)c3c(C)cc(C)cc3n2)cc1 3756939 FUGWGYHTXVNMDM-UHFFFAOYSA-N 307.349 4.225 0 40 DIAB Cc1cc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)ccc1C(C)C 5006171 AKQJFRFSGLFOOG-BZSNNMDCSA-N 319.489 4.121 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 6377764 KWXSXUMZUYLCJX-SECBINFHSA-N 311.715 4.024 0 40 DIAB Cc1cc(=O)oc2cc(OCc3nc4ccccc4s3)ccc12 6421231 WLCSEHMLCUTJCH-UHFFFAOYSA-N 323.373 4.290 0 40 DIAB CCOc1ccccc1NC(=O)CSCc1cccs1 7398490 PTYXXVFBVJNUMR-UHFFFAOYSA-N 307.440 4.019 0 40 DIAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1ccc(Cl)cc1 8086165 AQULJRXVLIVNGO-CYBMUJFWSA-N 315.800 4.180 0 40 DIAB O=C(c1cccs1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12159810 IFEKIJINHCXTAS-VHRNVKJDSA-N 315.413 4.438 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2)cc1C 13930830 DXEGNMDZNGGUQF-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB CC(C)N(CCNC(=O)c1ccc(-c2ccccc2)cc1)C(C)C 16600091 PIKKXLPHGUGVOT-UHFFFAOYSA-N 324.468 4.202 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20493674 DTJJOOBBSVBQAR-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC(C)C 21580455 LKLMKDJITQWBIA-UHFFFAOYSA-N 323.396 4.223 0 40 DIAB Cc1noc(C)c1COC(=O)c1cc(C2CC2)nc2ccccc12 24195379 PEIFJIBFNCIXNY-UHFFFAOYSA-N 322.364 4.074 0 40 DIAB CCc1ccc(C(=O)Nc2cnn(Cc3cccc(C)c3)c2)cc1 28574468 MYLRBXFKJAYAPU-UHFFFAOYSA-N 319.408 4.055 0 40 DIAB Cc1ccc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1 32616764 UGLCQIBBNUJABP-UHFFFAOYSA-N 304.393 4.047 0 40 DIAB CN(CCc1ccccn1)C(=S)Nc1ccc2ccccc2c1 44052095 ALJXBDPZYSZBHO-UHFFFAOYSA-N 321.449 4.106 0 40 DIAB CCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 57477024 AWQAVZQGEHYYFB-UHFFFAOYSA-N 305.381 4.200 0 40 DIAB O=c1[nH]c(SCCc2ccccc2)nc2c1oc1ccccc12 67259851 DCRBFZAODJVWRG-UHFFFAOYSA-N 322.389 4.004 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 68846612 IYHMLTNPGLEMNK-KGLIPLIRSA-N 317.816 4.027 0 40 DIAB Cc1cc(C)c2oc(-c3ccc(N)cc3Br)nc2c1 73639315 YSPIBPFZZNKYIZ-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB CC(C)c1sc(Cl)nc1C(=O)N1CCc2ccccc2C1 95476387 FBANLQQVCHQSSV-UHFFFAOYSA-N 320.845 4.118 0 40 DIAB CC(C)=CCc1cc(CCCc2cc(O)cc(O)c2)ccc1O 95630244 HTNHTFRNGHVXBF-UHFFFAOYSA-N 312.409 4.487 0 40 DIAB biogenic,in-vitro CSc1ccc([C@H](O)c2ccccc2Br)cc1 95730113 BPUDMUHOYFHWOC-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB C[C@H](Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)nc1 95940747 UBVVQNVTOPIUFP-ZDUSSCGKSA-N 312.804 4.153 0 40 DIAB CC(C)(C)[C@@H](NC[C@@H](O)c1ccco1)c1cc2ccccc2o1 95996223 HMYDAORUHYSJSZ-KDOFPFPSSA-N 313.397 4.436 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100620937 XIXOIPGLZLFHTF-WNOSKKOXSA-N 324.424 4.205 0 40 DIAB CCOc1cc(C(=O)Nc2ccccc2)cc(Cl)c1OCC 107947681 WBPQNLKAUZOPGR-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(OC(C)C)cc1 216958128 IAQXTMWWVXZORD-UHFFFAOYSA-N 321.376 4.238 0 40 DIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C 223599130 AIPAZTYMRAIGKU-INIZCTEOSA-N 311.425 4.040 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccccc1 223860160 DHBGODSCTVFQAO-OAHLLOKOSA-N 303.789 4.230 0 40 DIAB O=C(c1cc(F)ccc1F)N1CCS/C1=C/c1cccs1 225234221 WIVDGTSWDHMNIV-NTEUORMPSA-N 323.389 4.214 0 40 DIAB CC(C)CCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258766 LNIFFBPUQPEMDY-UHFFFAOYSA-N 307.397 4.006 0 40 DIAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1CC1 225335272 WZYZVMGCTKVUJA-UHFFFAOYSA-N 314.479 4.428 0 40 DIAB CC(C)CCNC(=S)Nc1ccc(OC2CCCC2)cc1 225380941 CHHDQXWGSLMBKC-UHFFFAOYSA-N 306.475 4.341 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)c(C)c1 225394893 POYMCWNBNGSAKC-QGZVFWFLSA-N 315.388 4.332 0 40 DIAB CCOC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 226235746 HYGHJGHCRXEASE-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB c1ccc(Cc2ccc(Oc3ncnc4c3CCC4)cc2)cc1 590493292 YNSUHRQRJVVFRU-UHFFFAOYSA-N 302.377 4.348 0 40 DIAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 44273 SJYUXSHSBAFKKC-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CC(C)(C)Cc1nnc(NC(=O)CCCc2ccccc2)s1 380368 KGPOFCIFMNKLFE-UHFFFAOYSA-N 317.458 4.088 0 40 DIAB O=Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 566964 MSJNUNCHBHLTMZ-UHFFFAOYSA-N 302.329 4.385 0 40 DIAB CCOC(=O)CCCCCCC(=O)c1ccccc1OCC 2580386 NNYDNDIHIRTHDT-UHFFFAOYSA-N 306.402 4.172 0 40 DIAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)c1cccc(Cl)c1 2662882 ZBWLOPCHXAAKEW-WSKFYRRCSA-N 320.797 4.229 0 40 DIAB C[P@@](=O)(O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 4844144 KMHLVUNYCANPKI-MRVPVSSYSA-N 322.141 4.141 0 40 DIAB CCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 5108897 LEUBDBCKBYDXCH-UHFFFAOYSA-N 306.365 4.128 0 40 DIAB COc1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 5677244 ZRWUXTXECMCTGA-XXWNAHEMSA-N 313.441 4.030 0 40 DIAB Cc1ccc2c(CC(=O)Nc3ccc(F)c(F)c3)coc2c1 5679763 WCGWAXAYTRWZLU-UHFFFAOYSA-N 301.292 4.201 0 40 DIAB Cc1cc(-c2ccc(F)cc2)nc2c1c(C)nn2-c1ccccn1 6831380 KGAOVAAKNTYRCM-UHFFFAOYSA-N 318.355 4.238 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1 7653371 HXVAZOIPPYHFFN-CYBMUJFWSA-N 301.361 4.103 0 40 DIAB CCc1ccc2c(CC(=O)Nc3cc(F)ccc3F)coc2c1 8156398 KGJFYEIUZGIAGT-UHFFFAOYSA-N 315.319 4.455 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)[C@@H](C)CC)C(=O)O 8732874 DVZFLLLAPXEAKB-FZMZJTMJSA-N 309.431 4.017 0 40 DIAB c1ccc2c(C3=NN=C(NC4CCCC4)SC3)cccc2c1 9417580 BZZHTMFCSXRYPQ-UHFFFAOYSA-N 309.438 4.179 0 40 DIAB Cn1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 10847224 OAPICVCRNUQQHO-UHFFFAOYSA-N 324.409 4.021 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 11914846 BXXBFEIVGGFTBZ-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1C 12392709 DIARHDMAMHWEDO-UHFFFAOYSA-N 315.388 4.032 0 40 DIAB C[C@@H](CNC(=O)COc1ccc2ccccc2c1)c1ccccc1 13012157 FZSYGEOVJHXHAX-INIZCTEOSA-N 319.404 4.139 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C 22839573 RQOYXIBTUQGBBN-HIFRSBDPSA-N 323.383 4.143 0 40 DIAB CC(C)Oc1ccccc1NC(=O)Cc1ccccc1Cl 32285040 JRFVUTKRNAZQNS-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc[nH]1 58104618 NFWCYUSAHMWWMT-LJQANCHMSA-N 321.424 4.182 0 40 DIAB CC(C)Oc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1 58324790 IREKYNYCXCJPBZ-UHFFFAOYSA-N 323.396 4.277 0 40 DIAB Cc1cc(C)c(NC(=O)COc2ccc(C(C)C)cc2)c(N)c1 70462882 KZVIEEKQELBVHF-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc2c(c1)CCCC2 71922668 PESMVQFOUXTIGP-HNNXBMFYSA-N 311.473 4.368 0 40 DIAB COCCn1c(S[C@@H]2CCCc3ccccc32)nc(C)c1C 71961796 WFZUQUWPIPNHSD-QGZVFWFLSA-N 316.470 4.316 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72214929 LHQGLWKRMJDLCJ-UHFFFAOYSA-N 317.433 4.205 0 40 DIAB CC(=O)N1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217695 TVAXMOAGYFWZQD-QGZVFWFLSA-N 312.438 4.306 0 40 DIAB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 72328809 MXMUZWFETBAPPU-UHFFFAOYSA-N 319.408 4.130 0 40 DIAB Cc1csc([C@H](C)NCc2ccc(OCC(C)C)cc2)n1 84268044 YHCUWVPBPCVCGS-AWEZNQCLSA-N 304.459 4.337 0 40 DIAB CC[C@@H](c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1 95977324 ZBDNWQRPKLKPTK-KRWDZBQOSA-N 307.397 4.320 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 96621552 WMEBHGFBUCCJKK-UHFFFAOYSA-N 323.314 4.465 0 40 DIAB COCc1ccccc1NCc1cc(Cl)c(OC)c(OC)c1 97393990 FZCWNPAUHVTMOE-UHFFFAOYSA-N 321.804 4.116 0 40 DIAB CCCCc1ccc(NC(=O)COc2ccccc2F)cc1 222774782 QYUBAMQIKCXDOW-UHFFFAOYSA-N 301.361 4.186 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1OC 224612728 NLBLABRCJOYXLA-CVEARBPZSA-N 321.461 4.185 0 40 DIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1C 225907246 XZKKMNLXQVWKBA-SFHVURJKSA-N 322.449 4.103 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@@H]4CO 253390323 XAFFBHRHOULDSM-IGVOXGPPSA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(O)cc3)c2c1 81069 ZARIPISOROLMDZ-UHFFFAOYSA-N 322.364 4.169 0 40 DIAB CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1280025 NQUQIAYCNLKMTR-XTPGNIOPSA-N 316.441 4.265 0 40 DIAB O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccc(Cl)cc12 2440426 OIWYNVXOBNWPBA-RMKNXTFCSA-N 324.811 4.193 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 3524131 VHNUKJLAGBNIMO-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 3552119 ONCKPPCRKAAJHT-UHFFFAOYSA-N 313.397 4.254 0 40 DIAB CSC1=NC(/C=C/c2ccc(F)cc2Cl)=CC(C)(C)N1 4039834 JXZAKXRFKDMKAG-FNORWQNLSA-N 310.825 4.477 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Br)cc2F)c1 4070170 AKTOSPPPJQBMMI-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCN(CC)CCOC(=O)[C@]1(C2CCCCC2)CC=CCC1 4896168 FXXLEWYHZLZWQG-LJQANCHMSA-N 307.478 4.178 0 40 DIAB CC(=O)Nc1ccc(-c2csc(-c3cccs3)n2)cc1 5156847 LRRFKONPFVPAGZ-UHFFFAOYSA-N 300.408 4.497 0 40 DIAB COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)c(OC)c1 6288971 YMLDJHICQCSZIJ-UHFFFAOYSA-N 319.445 4.495 0 40 DIAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1 7583994 PVVMQPWWETYXQP-LBPRGKRZSA-N 318.417 4.272 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1 7755647 OJCJVEQRCHKUJG-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1cc2c(s1)CCCCC2 9460187 ANESZHWIPQFBRQ-UHFFFAOYSA-N 318.467 4.215 0 40 DIAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 11767748 KZOSZSYDFBBIKC-UHFFFAOYSA-N 321.380 4.082 0 40 DIAB COc1ccccc1-c1nnc(SCc2ccc(C)cc2)o1 12177542 ASGBYLKIUMNUAO-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB C[C@H](CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1 12776732 JGQSWQXLDQMKHE-OAHLLOKOSA-N 317.392 4.276 0 40 DIAB CCOc1ccc(Oc2ccc(Br)cc2N)cc1 14631014 PBIIYWDEEACWCJ-UHFFFAOYSA-N 308.175 4.222 0 40 DIAB O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccs1)C1CC1 30840892 RILMEWIHPIBXAC-UHFFFAOYSA-N 314.385 4.173 0 40 DIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c2ccccc12 32736146 WRYUZYUVRQWXIJ-UHFFFAOYSA-N 319.408 4.411 0 40 DIAB COc1cccc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)c1 45091035 CKTFNUXHZWBODU-LBPRGKRZSA-N 319.401 4.267 0 40 DIAB Cc1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 48272056 JEXYFIILSXKFJE-SECBINFHSA-N 312.398 4.052 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C 59351210 OPRYOOFHSNCKFE-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB C[C@@H](c1cccc(-c2nccc(C(F)(F)F)n2)c1)N1CCCC1 65500167 NDMMOHBDSZSHLR-LBPRGKRZSA-N 321.346 4.319 0 40 DIAB CC(C)c1nc(C[S@](=O)Cc2cccc(Cl)c2)cs1 78394568 VSZHYSJUBCVYEG-IBGZPJMESA-N 313.875 4.369 0 40 DIAB Cc1cc(C)c([C@@H](O)c2ccc(Br)cc2)cc1C 86493249 LFGYFQQFXVJXKR-INIZCTEOSA-N 305.215 4.456 0 40 DIAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@H]1c1nc(C2CC2)no1 89813478 RAENOSSIBMQFMX-WDEREUQCSA-N 310.275 4.117 0 40 DIAB Fc1ccc(-c2cc(-c3cncc(Br)c3)[nH]n2)cc1 95094773 OSXNZPDFJVQNNM-UHFFFAOYSA-N 318.149 4.040 0 40 DIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 95393202 LHLGUKVJIPLZOY-IAGOWNOFSA-N 306.365 4.187 0 40 DIAB CCOCc1cc(CN(C2CC2)[C@@H](C)C(C)C)ccc1OC 95453801 SNSVPBUEADQCER-HNNXBMFYSA-N 305.462 4.241 0 40 DIAB COc1ccc(CSCc2nnc(C)n2C2CC2)cc1Cl 95459956 VJSCFMMHXGYOJF-UHFFFAOYSA-N 323.849 4.017 0 40 DIAB C[C@]12CC[C@H]3[C@@H](C=CC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 118918610 NJVFRSJSXBLKOW-GCOKGBOCSA-N 314.469 4.245 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)NC(C)(C)CC(C)(C)C)c1 224266536 WLWIJHCNYZBPCH-UHFFFAOYSA-N 305.462 4.322 0 40 DIAB O=C(Cc1ccccc1Cl)NCCCc1ccccc1Cl 225438877 GHBIKXJHMDJOTH-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)nc1 225495952 GBTNYXPABISHSW-INIZCTEOSA-N 313.470 4.464 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)cc1 225617404 OVRKVRZNEGCUMK-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CC[C@@H](NC(=O)NC1CCCCC1)c1ccc(OC)c(C)c1 225758857 QTFOBNZLCQBQEH-MRXNPFEDSA-N 304.434 4.087 0 40 DIAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225872600 PVPQPBYSOPFOFP-FQEVSTJZSA-N 323.436 4.212 0 40 DIAB Cc1cc(C)nc(Oc2ccc(-n3ncc4ccccc43)cc2)n1 572636334 FPUZUNUHYGJIDZ-UHFFFAOYSA-N 316.364 4.225 0 40 DIAB COc1ccccc1NC(=S)Nc1ccc(C)c(Cl)c1 93865 WXHTYXHVPIWRGC-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 146624 IYINNXMMWPRFOQ-MRXNPFEDSA-N 319.813 4.127 0 40 DIAB COc1cccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c1 387280 ZRXUUQBSFAZRGO-UHFFFAOYSA-N 320.392 4.308 0 40 DIAB COc1cc(N[C@H](C)CCCNC(C)C)c2nccc(C)c2c1 1600858 KLAQASCBCFSTSS-OAHLLOKOSA-N 315.461 4.130 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1F 1738367 LXOYFVYBGMDUJY-UHFFFAOYSA-N 313.159 4.454 0 40 DIAB Cc1ccccc1NC(=O)Oc1ccc2c(C)cc(=O)oc2c1 1739643 KJKFHENVXXUDHN-UHFFFAOYSA-N 309.321 4.021 0 40 DIAB Cc1cccc(C)c1OCCCCn1c(CO)nc2ccccc21 1926885 YDAXDZHHVJVWGJ-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2cc(C)ccc2C)cc1 2517535 JAYAIZJCFGYHOU-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1ccc(C(=O)Oc2nc(-c3ccccn3)sc2C)cc1 3116644 RJVSWDYDOULNFE-UHFFFAOYSA-N 310.378 4.041 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CSC(=O)c1ccccc1 3275360 XBQWVQRWHLOUTC-UHFFFAOYSA-N 319.813 4.161 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3[C@@H]1CC=C(C)C[C@@H]1C 4029032 SSBXMBLMSWKYIH-ZBQZNYHESA-N 310.441 4.356 0 40 DIAB biogenic COCCNc1c(-c2ccc(Cl)cc2)nc2cccc(C)n12 4848473 BSOQMKBTHQQBBQ-UHFFFAOYSA-N 315.804 4.021 0 40 DIAB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1Cl 5175338 DNVUZNIROCQQAN-CMDGGOBGSA-N 319.744 4.175 0 40 DIAB Cc1ccc(C)c(OCCn2c(C)c(C=O)c3ccccc32)c1 5895841 MRBYGWLSDZTHNW-UHFFFAOYSA-N 307.393 4.458 0 40 DIAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3N)c2cc1C 6624177 PMGPGCPTCUXOMX-UHFFFAOYSA-N 305.333 4.405 0 40 DIAB biogenic COc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 6671306 YLYLYDUVNDSPEF-UHFFFAOYSA-N 324.405 4.444 0 40 DIAB CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 8128822 ZVHQORPNPMFUTD-KBXCAEBGSA-N 314.404 4.202 0 40 DIAB Cc1occc1C(=O)OCC(=O)c1sc2ccccc2c1C 8252313 XPZWKKUYSWXXSU-UHFFFAOYSA-N 314.362 4.151 0 40 DIAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 10111712 LHMSCJXLVVXGSU-OAHLLOKOSA-N 311.425 4.240 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 10294122 BKIJBDQGGDMDIY-CQSZACIVSA-N 315.438 4.346 0 40 DIAB Cc1nc(/C=C/C(=O)N(Cc2ccco2)c2ccccc2)cs1 12919651 SBUHGHVXDJRULL-MDZDMXLPSA-N 324.405 4.291 0 40 DIAB Cc1ccc(Cn2c(CN3CCCCC3)nc3ccccc32)cc1 13943960 ZYEVAUNOPYAOCJ-UHFFFAOYSA-N 319.452 4.379 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCc2ccccc21 14190501 RNOXDUZYXOWUKW-INIZCTEOSA-N 320.219 4.340 0 40 DIAB Cc1c(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc12 15453910 BCMRUFDJBDKKAR-UHFFFAOYSA-N 309.756 4.033 0 40 DIAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccoc2)cc1 23011998 YWRVBJPVZADYPX-UHFFFAOYSA-N 321.336 4.176 0 40 DIAB C[C@H](Nc1nccc(C(F)(F)F)n1)c1cc2ccccc2o1 24054639 YRFXAHQQSPDQDN-VIFPVBQESA-N 307.275 4.415 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28303547 SXBPPQMFUVZHRF-UHFFFAOYSA-N 317.801 4.148 0 40 DIAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 30861445 GUKVULRXQXQXRZ-LJQANCHMSA-N 319.404 4.486 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)NC[C@H](C)c1ccccc1 32924160 RKIQRNFTLCDFAP-LBPRGKRZSA-N 302.443 4.108 0 40 DIAB COC(=O)c1c(CCc2cc3ccccc3o2)cccc1OC 35973565 QYYNTHQBIKKUBW-UHFFFAOYSA-N 310.349 4.013 0 40 DIAB COc1cc(-c2nc3ccc(F)cc3s2)cc(OC)c1OC 45920040 HKMQVEOXPJTLCD-UHFFFAOYSA-N 319.357 4.128 0 40 DIAB CCOc1ccc(-c2cc(SCc3cccnc3)ncn2)cc1 49026039 SHAYXNLZOVOSME-UHFFFAOYSA-N 323.421 4.230 0 40 DIAB Nc1ccc2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352658 XOTFWJPAPRPEGY-UHFFFAOYSA-N 316.773 4.417 0 40 DIAB CCN(C(=O)[C@@H]1Cc2ccccc2S1)c1cc(C)cc(C)c1 58169262 SVOZANLAYATZTP-SFHVURJKSA-N 311.450 4.373 0 40 DIAB COc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1 58173742 ZTXNTXJSCXKJJP-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB Cc1nnc([C@H](C)N[C@H](C)c2cc(F)c(Cl)cc2Cl)o1 71902386 GKWQQQGPFMAPBR-RQJHMYQMSA-N 318.179 4.236 0 40 DIAB Cc1cccnc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72211161 UWNUHLOHOVMKGA-KRWDZBQOSA-N 310.397 4.254 0 40 DIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2C2CC2)on1 72340350 NKWDZNXVWDEMSW-UHFFFAOYSA-N 324.359 4.069 0 40 DIAB c1ccc([C@@H]2CN(CC3CCCCC3)C[C@H]2c2cc[nH]n2)cc1 72395169 WOVHQXQLMMXWRV-RBUKOAKNSA-N 309.457 4.173 0 40 DIAB Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21 95098038 WRELXZYMFSHNAL-HNNXBMFYSA-N 314.429 4.293 0 40 DIAB Oc1c(Br)ccc2c(OC(F)(F)F)cccc12 95486403 NQNRDINAJWHNOP-UHFFFAOYSA-N 307.065 4.207 0 40 DIAB O[C@H](c1ccc(Br)cc1)c1ccc(Cl)c(F)c1 95730307 AEKGORLUMGXQML-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB Cc1ccccc1[C@H](NCc1noc(-c2ccoc2)n1)C(C)C 95985098 QGWDZMISXJEWTJ-QGZVFWFLSA-N 311.385 4.125 0 40 DIAB c1ccc2c(CN3CCN([C@@H]4C[C@@H]5CC[C@@H]4C5)CC3)cccc2c1 100814562 PJPDUEXDCPPVHM-SFGWALBWSA-N 320.480 4.146 0 40 DIAB C[C@H](NC(=S)N[C@H](C)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102307122 BTLFZBTVLJYAIR-QZCUMHFISA-N 302.487 4.036 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C 113970626 JCVLQKKKQVBKRT-LJQANCHMSA-N 311.425 4.086 0 40 DIAB COc1ccc(C(=O)CCc2cnc3ccccc3c2)cc1OC 199729324 QDTGLLBDSOTLIO-UHFFFAOYSA-N 321.376 4.068 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1Cl 222570919 ZEDTZDGLMCGHHD-UHFFFAOYSA-N 324.211 4.468 0 40 DIAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224707208 AXPHDBYKKJXXFU-UHFFFAOYSA-N 323.845 4.118 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225822737 CWCADZVHZKPGSN-LJQANCHMSA-N 315.413 4.382 0 40 DIAB CCCCC(=O)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226351965 JUIVIOHAJRRSGB-UHFFFAOYSA-N 301.342 4.082 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1c(F)cccc1F 390832312 YOUJQQIHHJLYNV-UHFFFAOYSA-N 313.303 4.155 0 40 DIAB O[C@@H]1O[C@@H](c2ccccc2)[C@H](c2ccccc2)C1(Cl)Cl 241076 NLYQASMQWRHYBV-SOUVJXGZSA-N 309.192 4.034 0 40 DIAB Cc1ccc(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 332943 IOZSUMAYGKWYGZ-UHFFFAOYSA-N 320.175 4.411 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 383551 HIKMEGALMGLENL-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB Cc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 426635 YVHSRTXFORQCTF-ZDUSSCGKSA-N 312.413 4.386 0 40 DIAB CSc1nc(Cl)c2c3c(sc2n1)CO[C@@H](C(C)C)C3 521166 WPSFDDOLRVVJIT-MRVPVSSYSA-N 314.863 4.164 0 40 DIAB CCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 533866 FFNDQAITXYXHQB-UHFFFAOYSA-N 318.380 4.065 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2c(C)cccc2C)c2ccccc12 807217 CSDNLVIDONXVRM-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB C=CC(=O)Oc1ccc(C(=O)Oc2ccc(CCCC)cc2)cc1 1921538 SCMITPNPFWCURP-UHFFFAOYSA-N 324.376 4.340 0 40 DIAB biogenic Cc1cccc(-c2nnc3sc(Cc4ccccc4C)nn23)c1 2183281 KDPDJUZCZXRFGO-UHFFFAOYSA-N 320.421 4.060 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(C(C)C)cc2)cc1OC 3093862 OEHJUDRGMCLKPF-UHFFFAOYSA-N 313.397 4.008 0 40 DIAB C[C@@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2[C@H](C)c2ccccc21 4044399 KOXAUIJMWHCIOC-QFSBIZTOSA-N 321.376 4.150 0 40 DIAB biogenic COc1ccccc1Nc1ccccc1C(=O)N1CCCCC1 5586927 JGDACOGXDMGYSD-UHFFFAOYSA-N 310.397 4.065 0 40 DIAB O=C(N/C=C/c1ccccc1Cl)NCc1ccc(Cl)cc1 5764069 MEXNBNHGPGJNGI-MDZDMXLPSA-N 321.207 4.464 0 40 DIAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 6204442 AGIDTODJMXAOMS-HXUWFJFHSA-N 318.420 4.442 0 40 DIAB COc1ccc(-c2onc(C)c2-c2ccccc2OC)c(O)c1 6719893 HFGUIAXNDPLYII-UHFFFAOYSA-N 311.337 4.040 0 40 DIAB biogenic Cc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12784540 ILWQHTTWOKZEOU-UHFFFAOYSA-N 321.380 4.278 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1 12911774 NHZVOXKIAQNDTJ-CYBMUJFWSA-N 309.365 4.323 0 40 DIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1 13038973 HAAFIBRCJOWUOS-UHFFFAOYSA-N 316.832 4.027 0 40 DIAB Cc1c2c(nc3cc4c(cc13)OCO4)-c1ccccc1CCC2 13097728 PGPWTKAGMBWMHT-UHFFFAOYSA-N 303.361 4.428 0 40 DIAB Cc1ccccc1CSCC(=O)N1c2ccccc2C[C@@H]1C 13671791 QSUCYDXSJVVCFL-HNNXBMFYSA-N 311.450 4.206 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(N)cc1 17052842 JVASNCDHVHAJNY-ZDUSSCGKSA-N 314.454 4.259 0 40 DIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccccc2)c1C 19558096 CQMFLRPIMZNIIU-QGZVFWFLSA-N 322.412 4.019 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1OC 20484001 IFAJOKAWOXOJMQ-INIZCTEOSA-N 313.397 4.108 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccccc1 20492827 BQWVHIZEPJBJHH-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1 28779007 KPNCBMXHVCRECC-CYBMUJFWSA-N 314.454 4.293 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)Nc3cccc(F)c3)sc2C1 32611087 LZJJAXSKZGRTAO-SECBINFHSA-N 305.378 4.051 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 38563738 KAYYIYDHRSEWHR-VQEKSIRZSA-N 320.473 4.091 0 40 DIAB biogenic Brc1ccc(-c2csc(-c3cnccn3)n2)s1 48640750 MKVDPZGEMKWPTJ-UHFFFAOYSA-N 324.228 4.091 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)CSC/C=C/c2ccccc2)[C@@H]1C 58051345 QNPBJQMDZKYAIY-OXUMXOESSA-N 317.498 4.374 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 72305077 NAYHZJRKRPMAEK-UHFFFAOYSA-N 304.349 4.187 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc[nH]c1=S 84358145 KDNCAEZQHIYQCX-UHFFFAOYSA-N 313.407 4.120 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@H]3c3ccco3)cc2)oc1C 95381749 QSJTWJQRWGNVCR-CVEARBPZSA-N 322.364 4.294 0 40 DIAB Fc1ccc([C@@H](NC2CCCCCCC2)c2ncon2)cc1F 95988504 TUZAUBAKZAVGGS-MRXNPFEDSA-N 321.371 4.140 0 40 DIAB CCC[C@@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 97212272 NDVOPQIHBLDDFG-SECBINFHSA-N 306.303 4.497 0 40 DIAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(C)cc2C)c1 223126554 ATTRTLIRLIHTJD-UHFFFAOYSA-N 309.453 4.287 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1F 223503691 CTIJOSWDBNENKH-AWEZNQCLSA-N 315.388 4.251 0 40 DIAB Cc1cc(C)c(C[C@H](Oc2ccccc2Cl)C(=O)O)c(C)c1 225135904 ASODDDJDERUYQK-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 225346971 IKPGIDCIZJNNDI-FIXISWKDSA-N 312.240 4.231 0 40 DIAB CCCOC(C)(C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225728308 JFUIIMONKCBNIY-UHFFFAOYSA-N 307.434 4.234 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1C 225781382 VSEHFUCDXAXGED-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCCc1ccccc1 409137518 VQVTUUIVBUOXNL-SAPNQHFASA-N 323.417 4.356 0 40 DIAB Cc1cc(Br)cc(C)c1C(=O)Cc1ccccc1 575362347 HXDAEAMKIDTIJZ-UHFFFAOYSA-N 303.199 4.491 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@H](c2cccs2)C1 823399214 FLUYPUXRTVTTFF-ZDUSSCGKSA-N 316.426 4.168 0 40 DIAB Cc1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 130353 VZRQOVHPJHIRJW-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB C[C@H]1CN(C(=O)c2ccccc2)c2cc(Br)ccc21 1719415 AHARVCBBKCFORH-NSHDSACASA-N 316.198 4.213 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)c(C)n2)cc1C 2625459 FOZCUPGXGAICAI-OAHLLOKOSA-N 314.454 4.382 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 2764077 XPXIICYRWDNJET-SJORKVTESA-N 311.425 4.257 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1ccc(Br)s1 3236502 XUSNUDZFDGPARL-UHFFFAOYSA-N 318.142 4.041 0 40 DIAB CCOc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1 3405963 WGWXPBJDWHCOCY-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1ccc(Br)cc1 3481116 STOBZWBDTAAQON-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)s1 4063469 AHQCVFFTTIHGKL-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4081895 YLFRRPUBVUAHSR-UYPUKZBLSA-N 314.469 4.435 0 40 DIAB biogenic Cc1cccc(-c2cc3nc4c(c(NCC5CC5)n3n2)CCC4)c1 4966855 ICFDDONNULRAIG-UHFFFAOYSA-N 318.424 4.015 0 40 DIAB O=C(O)[C@](O)(C1CCCCC1)[C@H]1CC[C@@H]2CC[C@H]3CCC[C@H]1[C@H]23 5086011 FTUOSGAHGSJYBU-DJRCMAJPSA-N 320.473 4.235 0 40 DIAB CCc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 5823283 DALDMAAFNXFGOM-UHFFFAOYSA-N 309.438 4.277 0 40 DIAB COc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1 6587605 WBIFEFSOLIODTR-UHFFFAOYSA-N 304.802 4.289 0 40 DIAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3)oc2c1 6811237 HICZRGIRZBYIGL-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1Cl 7215070 CUSHZTUPBYJCIM-CQSZACIVSA-N 322.191 4.247 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 7242266 RDQJQBFYYUNGQW-AWEZNQCLSA-N 308.425 4.177 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1c(C)cccc1C 7547696 FHTOMMPJKVRDLR-GOSISDBHSA-N 324.424 4.176 0 40 DIAB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 8570758 SJEMVLORRUZFMI-LFIBNONCSA-N 309.390 4.232 0 40 DIAB COc1ccccc1C(=O)Nc1nc(-c2cccs2)cs1 9318845 BTJNLGOBQWLWNW-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB CCOCCOc1ccccc1NC(=O)c1ccccc1Cl 10506325 ACPVYQHNDSASJP-UHFFFAOYSA-N 319.788 4.008 0 40 DIAB c1ccc(OCc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12800676 VYZHBWOVRAQTTG-UHFFFAOYSA-N 309.390 4.324 0 40 DIAB COC(=O)c1ccc(CN(C)[C@H](C)c2cc3ccccc3o2)cc1 12898246 GLYKJIZWDLEJQV-CQSZACIVSA-N 323.392 4.412 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)cc1 13671057 NJTMGXZTWDKQJA-INIZCTEOSA-N 320.436 4.268 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)c1cccc2cccnc12 14170283 XNALBCBHJJLVFC-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB Cc1c(Cl)c(CN(C)Cc2ccco2)nc2ccccc12 22130843 FOMVWKFAEPPEKL-UHFFFAOYSA-N 300.789 4.422 0 40 DIAB Cc1ccc(-c2nc(C(=O)NC(C3CC3)C3CC3)cs2)cc1 22885909 XBNJLGGYGAIHNI-UHFFFAOYSA-N 312.438 4.037 0 40 DIAB Fc1cc2ncn(Cc3cccc(Br)c3)c2cc1F 24427494 FAKSYVYWECLVTA-UHFFFAOYSA-N 323.140 4.125 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1Cc1ccco1 25441309 SWCPLTIWMWIHHP-UGSOOPFHSA-N 314.429 4.055 0 40 DIAB CC(C)OCc1ccccc1CNC(=O)c1cc2ccccc2[nH]1 30369236 ZXYKWZAULWJTMU-UHFFFAOYSA-N 322.408 4.023 0 40 DIAB CC(C)[C@@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 32803505 DQWWPLDNOMQSGD-SJLPKXTDSA-N 312.413 4.354 0 40 DIAB O[C@@H](CN1CCC[C@@H]1c1cccs1)c1ccccc1Cl 36395343 ZKGAVHXHAOLNLC-CABCVRRESA-N 307.846 4.272 0 40 DIAB Cc1cccc(C)c1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 40395178 NCKYAEJLUXUWIM-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1cccc2c1ccn2CCC(=O)Nc1ccc2cc[nH]c2c1 44919133 KPMYKPSJQMWIEX-UHFFFAOYSA-N 317.392 4.460 0 40 DIAB CCOc1ccccc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 49467994 UJBKNNWSTZTRRW-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB CCOc1ccc(-c2c[nH]c(COCc3ccccc3)n2)cc1 65372777 MOXUTZOPGWUBGF-UHFFFAOYSA-N 308.381 4.192 0 40 DIAB COCc1cc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1F 78089192 XZHVQEBNBOLUCH-UHFFFAOYSA-N 315.388 4.372 0 40 DIAB O=C(Nc1ccccc1)N1CCC2(CCc3ccccc3O2)CC1 85557814 RHKNKIIFFZIDNY-UHFFFAOYSA-N 322.408 4.078 0 40 DIAB CC(=O)Nc1ccc(N[C@H](C)c2occc2Br)cc1 97045607 XDVKBDHYHMJPAP-SECBINFHSA-N 323.190 4.174 0 40 DIAB CCc1nc([C@H](C)Nc2cnn(CC)c2)oc1-c1ccccc1 97377328 KTTRTSSIQAICPD-ZDUSSCGKSA-N 310.401 4.294 0 40 DIAB CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 136879742 BYQLYGRDILHOFF-XAMWDVODSA-N 318.457 4.321 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1F 224616039 NGLQVJRBJZODGM-HOCLYGCPSA-N 309.425 4.316 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2cc(C)cc(C)c2)cc1 225773751 HLPAHWFXGCVFOG-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226763508 ZCHMUXSRFQQBDX-BQYQJAHWSA-N 300.789 4.191 0 40 DIAB CCOC(=O)[C@@H]1C(=C(C)C)[C@@]1(C)C(=O)c1ccc(Cl)cc1 108569 ONNCEAVOIAMVSY-WMLDXEAASA-N 306.789 4.058 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1cnc2ccccc21 204743 JHAMRUNAIBVEDT-LBPRGKRZSA-N 314.772 4.106 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 288461 KUGQSLOETCRSPW-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB CC(C)(C)c1csc(SCC(=O)Nc2ccccc2)n1 1018815 GGAFJZVKEPHEQI-UHFFFAOYSA-N 306.456 4.171 0 40 DIAB CCOC(=O)c1cc2sccc2n1Cc1cccc(F)c1 1338124 NIUVJVLEKUTZQZ-UHFFFAOYSA-N 303.358 4.067 0 40 DIAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cccc(Cl)c1 1512856 AGGYKIFREHTPLF-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(F)(F)F 1930583 RCNRWLDOKVJVBJ-JXMROGBWSA-N 309.262 4.496 0 40 DIAB Cc1cccc(OCCC(=O)OCc2ccc(Cl)cc2)c1 3264462 SAQWDVHUTCUPOW-UHFFFAOYSA-N 304.773 4.161 0 40 DIAB Cc1ccc(C)c(Cn2cc(SC(=N)N)c3ccccc32)c1 3866087 LMXCCNQFERNKFU-UHFFFAOYSA-N 309.438 4.292 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 5549194 SHSZNSUQZHBERG-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1nc(COC(=O)Cc2coc3cc(C)c(C)cc23)cs1 5628108 VLRYHFKDIAQKGH-UHFFFAOYSA-N 315.394 4.100 0 40 DIAB Clc1ccc([C@@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 5896985 WRZDVQCCPIAANP-STQMWFEESA-N 316.817 4.139 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(F)cc1 7007594 NFRTYSLFJVFKKF-LBPRGKRZSA-N 324.355 4.280 0 40 DIAB Cc1cc(-c2csc(N)n2)c(C)n1CCc1cccs1 7363167 SGFRQPWXXAKJTR-UHFFFAOYSA-N 303.456 4.115 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 7794129 MCAOEEXKBMTMMG-UHFFFAOYSA-N 322.330 4.332 0 40 DIAB CCCCCCNC(=O)c1sc(-c2ccccc2)nc1C 7995881 AEAGKFJKVJLNEL-UHFFFAOYSA-N 302.443 4.429 0 40 DIAB CC[C@H]1CCCCN1Cc1c(C)nc2ccc(OC)cc2c1O 8700909 WOCYBRKWOIYLEN-AWEZNQCLSA-N 314.429 4.022 0 40 DIAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccs1 12786266 RIOQMHLAJDCNNH-VIFPVBQESA-N 315.316 4.138 0 40 DIAB c1ccc(CN2CCN(Cc3ccccc3)C2c2ccc[nH]2)cc1 19324284 YOQOUNZQPUXLON-UHFFFAOYSA-N 317.436 4.031 0 40 DIAB Cc1c(-c2cncn2CCCN2CCCCC2)[nH]c2ccccc12 19719637 NTPNTMBLGOKXCW-UHFFFAOYSA-N 322.456 4.216 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 20194280 JHDZTROOJXQLPA-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 20451526 KVIOFNGKDKJWER-LJQANCHMSA-N 309.409 4.283 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1 20632929 RTOZBBSFNZSDHQ-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cccc2)c1 21137299 LNGYRSQLKSRZMS-UHFFFAOYSA-N 313.360 4.278 0 40 DIAB O=C1CCc2c(OCc3cccc(Br)c3)cccc21 32865492 DIDVDGMVJRAXBS-UHFFFAOYSA-N 317.182 4.157 0 40 DIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 32895210 ZCKJIJKINADFIS-ZYHUDNBSSA-N 305.727 4.191 0 40 DIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1Br 37975941 PTWAHXGMLOUQQS-UHFFFAOYSA-N 303.159 4.001 0 40 DIAB O=C(O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 39004669 FIAKLGDVKKJABU-UHFFFAOYSA-N 313.784 4.360 0 40 DIAB Cc1csc(CNC(=O)Nc2cccc(Cl)c2Cl)n1 43263989 VFODYSOQUMBIDT-UHFFFAOYSA-N 316.213 4.080 0 40 DIAB C[C@@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccs1 43485844 CTQSCQIPQXKXLW-CYBMUJFWSA-N 315.442 4.231 0 40 DIAB c1cc(-c2noc(CN3CCC[C@@H]3c3ccsc3)n2)cs1 46088676 JDBZEAWVSQPIHX-CYBMUJFWSA-N 317.439 4.197 0 40 DIAB Cn1c(C(=O)N2CCC(c3ccccc3)CC2)cc2ccccc21 55116869 QZUOWLFYFWEGHX-UHFFFAOYSA-N 318.420 4.198 0 40 DIAB Nc1cc(N)cc(-c2nc3cccc(Cc4ccccc4)c3o2)c1 57352792 NIHJFVYWHKXZCN-UHFFFAOYSA-N 315.376 4.250 0 40 DIAB S=C(NCc1cccs1)N[C@@H]1CCc2cc(Cl)ccc21 63791400 LXMRBSNETWXFID-CQSZACIVSA-N 322.886 4.053 0 40 DIAB Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1CC=CCC1 66554097 UDFPQKRBGLXRPH-CQSZACIVSA-N 312.438 4.091 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccc(C)cc1F 71326061 ANCKAQCXADQOGM-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CC(C)Oc1cc(C(=O)N[C@@H](C)c2ccncc2)cc2occc12 72240168 GHZOKHSNTCOUEH-ZDUSSCGKSA-N 324.380 4.106 0 40 DIAB CC(C)c1[nH]c2ncccc2c1CN(C)CCc1ccccc1 72393353 MPJPXDSOXJIPKJ-UHFFFAOYSA-N 307.441 4.361 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2nccs2)o1 75543878 DUCTYXILZIICAP-JQWIXIFHSA-N 305.403 4.050 0 40 DIAB Cc1cc(Br)c2[nH]c(-c3cccc(F)c3)nc2c1 216914837 BFTQMDJZFHAVPT-UHFFFAOYSA-N 305.150 4.440 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2C(C)=CC1(C)C 223211312 NXSFEUSTYRPQDL-MRXNPFEDSA-N 305.393 4.025 0 40 DIAB Cc1cc(C)c(C[C@H](Sc2ccccc2)C(=O)O)c(C)c1 225137331 XHAHYFUMKCBXMM-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB CC(C)Oc1cccc(NC(=S)NCCc2ccccc2)c1 225282498 BZMPYNCOIPCPCD-UHFFFAOYSA-N 314.454 4.003 0 40 DIAB CCOC(=O)c1ccc(Nc2cccc3ccccc23)c(N)c1 225421389 NJHFCSRLTYGKAK-UHFFFAOYSA-N 306.365 4.342 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225605443 VUMIIIPTJZAEGO-RDTXWAMCSA-N 307.434 4.254 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccccc1 245171771 XULKSIZPQGHCGO-HNNXBMFYSA-N 305.377 4.193 0 40 DIAB O=C(NCCCc1cc2ccccc2o1)c1cccc(Cl)c1 390828967 CLSNZZIWXIVFTQ-UHFFFAOYSA-N 313.784 4.449 0 40 DIAB CCc1cnccc1[C@H](C)NCc1nc(C(C)C)n2ccccc12 580199712 WXOHTLFUHQMNED-HNNXBMFYSA-N 322.456 4.266 0 40 DIAB COc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3O2)cc1OC 57865 VWGNKHPAHTYIRK-MRXNPFEDSA-N 318.756 4.064 0 40 DIAB biogenic,in-vitro CC(C)n1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 200819 GUBRWNXUTUHYNA-CQSZACIVSA-N 307.397 4.108 0 40 DIAB Fc1ccc(CSc2nnc(COc3ccccc3)o2)cc1 356526 WRRGDTAQDUOZNB-UHFFFAOYSA-N 316.357 4.080 0 40 DIAB CCOc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 1268614 AXIRSZUWYJEQOE-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 2090751 TTWYUPSVWLOIRF-IOXPTURASA-N 316.441 4.060 0 40 DIAB biogenic O=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCCC1 2296889 SERYCXRSRQRYQY-BUHFOSPRSA-N 305.421 4.328 0 40 DIAB O=C(Nc1ccc(O)c2ncccc12)C12CC3CC(CC(C3)C1)C2 4538019 GWYLANKVOBBILX-UHFFFAOYSA-N 322.408 4.095 0 40 DIAB COCc1cc(C)nc2sc3c(-c4ccccc4)n[nH]c3c12 4625978 ABIWWCFBDFDIGK-UHFFFAOYSA-N 309.394 4.294 0 40 DIAB CC(C)(C)SCC(=O)NCc1ccc(Cl)cc1Cl 12765198 ARLOQLQYSQEUBM-UHFFFAOYSA-N 306.258 4.141 0 40 DIAB CC[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 12770570 OQPIEESQVFGLKW-MRVPVSSYSA-N 310.369 4.381 0 40 DIAB Fc1cc(Cl)ccc1NC(=S)Nc1ccc2c(c1)OCO2 13792437 YIJHVAMVZYFOLE-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)c1cnc2ccccc2n1 14020422 HWQWMJOQMHHNGH-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736507 ZVBGGGZYOLJADR-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1sc2c(N)cccc2c1Cl 20160167 YNIMEGOCLDNFOJ-SECBINFHSA-N 308.834 4.152 0 40 DIAB CCc1nnc(-c2cc3ccccc3n2Cc2ccccc2)o1 22714344 HAVHVOZCVQJUDI-UHFFFAOYSA-N 303.365 4.302 0 40 DIAB CCC[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 23456882 DEONRFLKBWKNTB-UJJTZGENSA-N 313.441 4.039 0 40 DIAB CCc1ccc(CN(C)C(=O)N[C@@H](C)c2cccs2)cc1 26245623 YPSXENVREMGGRR-ZDUSSCGKSA-N 302.443 4.213 0 40 DIAB CCCCc1ccc(NC(=O)c2nn(CC)cc2Cl)cc1 28222883 LNFZCVXNSSVCCF-UHFFFAOYSA-N 305.809 4.151 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 30755637 FDTBFXSTVALAQH-GFCCVEGCSA-N 319.351 4.494 0 40 DIAB CC(C)(NC(=O)[C@H]1CC=CCC1)c1ccc(Br)cc1 32398970 YNXXTNUJVWCPGY-LBPRGKRZSA-N 322.246 4.157 0 40 DIAB Fc1cccc(Nc2ncnc3ccc(Br)cc23)c1 32540960 ALKMBIXEONKULX-UHFFFAOYSA-N 318.149 4.275 0 40 DIAB in-vivo Cc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)oc1C 33725772 GNQARYINXQSVGF-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)cc1 36390857 AZVKACPROYWSMN-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB O=c1nc2n(c3sc4c(c13)CCCCCC4)Cc1ccccc1-2 36611875 NKKRYWFCHLVBQY-UHFFFAOYSA-N 322.433 4.146 0 40 DIAB COc1cc(/C=C/c2nc3ccccc3o2)cc(OC)c1OC 39243616 QWLQRLBALXFDRK-CMDGGOBGSA-N 311.337 4.024 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1F 41091285 ZKTIQDNFXLVDCG-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB Cn1c(S[C@H]2CCCc3ccccc32)nnc1-c1cccnc1 47221745 MBLCDQYMBXVUPD-INIZCTEOSA-N 322.437 4.047 0 40 DIAB Cc1ccc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)[nH]c2c1 59052452 KESYMVMIMARJIC-UHFFFAOYSA-N 319.408 4.164 0 40 DIAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC1CCCC1 59323003 KAXRXTFSZGIWCM-UHFFFAOYSA-N 318.269 4.285 0 40 DIAB Cc1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)c(Cl)c1 62372496 IHLORAHGTCICLF-UHFFFAOYSA-N 306.797 4.244 0 40 DIAB Cc1ccccc1C(=O)NCc1sc(-c2ccccc2)nc1C 66554020 HYWZIZPYDGSGCQ-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB C[C@H](Nc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 72207700 WQPKSDKSNQDIEE-AWEZNQCLSA-N 304.434 4.134 0 40 DIAB Cc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 72328946 WPYKEBNDEYWTIR-CYBMUJFWSA-N 323.371 4.015 0 40 DIAB Oc1ccc(Cn2ccnc2-c2c(F)cccc2Cl)cc1 82736906 AGDMWVWJYSEARX-UHFFFAOYSA-N 302.736 4.097 0 40 DIAB Oc1c(Br)ccc2cc(OC(F)(F)F)ccc12 95611611 NEDQVJCKZWBUGO-UHFFFAOYSA-N 307.065 4.207 0 40 DIAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccsc1 96120193 ZDZHSULZFRPMPE-UHFFFAOYSA-N 313.344 4.016 0 40 DIAB COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)o1 97147908 BQOYGBSKNFVJQO-HNNXBMFYSA-N 319.788 4.057 0 40 DIAB Cc1cc(O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 102621611 UDLJMOTYNCNAEH-UHFFFAOYSA-N 315.376 4.001 0 40 DIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999221 CQYWEMBOCPBRBK-BLTAXRJOSA-N 311.347 4.260 0 40 DIAB Cc1nc(C(C)C)ncc1-c1nnc(-c2ccc(Cl)cc2)o1 216607167 DDJSNNAMVHPXSZ-UHFFFAOYSA-N 314.776 4.279 0 40 DIAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224687760 KKFBCINTATWHHH-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccc(Cl)cc2F)cc1 224854069 VZVPBJMAZDAAIR-UHFFFAOYSA-N 305.780 4.150 0 40 DIAB CCOC(C)(C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225648570 BUJHWQBKOPEXSA-AWEZNQCLSA-N 307.434 4.234 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225728106 CRJVDLJVJFCUHS-UHFFFAOYSA-N 319.445 4.460 0 40 DIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C)c1 225746006 YXTCEPYAZQPYNU-GOSISDBHSA-N 307.434 4.318 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2ccc(C)cc2C)cc1 225815534 DAMKYVZUNNFFED-UHFFFAOYSA-N 313.466 4.063 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 226322410 ZPFVSFQNTOQICM-KPKJPENVSA-N 323.392 4.334 0 40 DIAB COc1ccc2ccccc2c1C(=O)COCc1ccccc1 394639682 SOAQDQZWKXCYLV-UHFFFAOYSA-N 306.361 4.248 0 40 DIAB COc1ccc(O)c(-c2c[nH]nc2-c2ccc(Cl)cc2)c1 524734670 AVSWZIMQNAHVQN-UHFFFAOYSA-N 300.745 4.111 0 40 DIAB CCC(C)(C)NC(=O)c1c(-c2ccccc2Cl)noc1C 620531 WYLCCWDNTICSTD-UHFFFAOYSA-N 306.793 4.222 0 40 DIAB CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2cccc3ccccc23)C1(C)C 3102255 WXFDAEOCHFJGBI-RDJZCZTQSA-N 309.409 4.420 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 3217753 MXMVILAVYUVPKY-GFCCVEGCSA-N 317.841 4.410 0 40 DIAB O=Cc1ccc(OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 3257595 LBWCAJOYAMDPHD-UHFFFAOYSA-N 309.148 4.068 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1 3403195 BPPKVHUDDDOLIQ-ZDUSSCGKSA-N 321.342 4.457 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F 3444257 TUJIIJSXSLRJTO-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB COc1ccccc1NC(=O)CSc1ccc(C)c(C)c1 3605509 XUZJLSJWAPSLDI-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 3608079 ZORVYARBSXQCAT-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C 4101973 AZADNRHRHIYHGB-UHFFFAOYSA-N 307.375 4.147 0 40 DIAB O=c1[nH]c2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl 4248175 DNWBQZMPXFFMSV-SOFGYWHQSA-N 317.175 4.400 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5383367 JGMOKGBVKVMRFX-WCAYHLDQSA-N 312.453 4.500 0 40 DIAB CCCNC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5951918 NXPLFSCPWOYRAK-UHFFFAOYSA-N 316.788 4.103 0 40 DIAB Cn1c(SC(=O)c2ccc(Cl)cc2)nc2ccccc21 7343480 DRBMDQSVSKDDPX-UHFFFAOYSA-N 302.786 4.159 0 40 DIAB O=C(CCC1CCCCC1)Nc1ccc(N2CCCC2=O)cc1 7639999 AOLQPHXPFXEHGW-UHFFFAOYSA-N 314.429 4.112 0 40 DIAB COc1ccc(-c2ccc3cnn(Cc4cccs4)c3n2)cc1 8037883 QKDSZRNLNRSPHJ-UHFFFAOYSA-N 321.405 4.217 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1 9064432 FRZVORJEMZKIDU-ZDUSSCGKSA-N 300.427 4.379 0 40 DIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 12617330 RXDCUSXGFGVFQP-VXGBXAGGSA-N 324.346 4.013 0 40 DIAB c1csc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)c1 12745610 XFWTZLUVRTZMBL-LLVKDONJSA-N 317.439 4.197 0 40 DIAB CC(=O)c1ccc(N[C@@H](C)c2nnc(-c3cccs3)o2)cc1 12789970 OGUSGRCNPHHGHC-JTQLQIEISA-N 313.382 4.174 0 40 DIAB CCC(CC)NC(=O)N[C@@H](c1ccccc1)c1cccs1 12866722 IKKFSLUPZGBPDB-INIZCTEOSA-N 302.443 4.325 0 40 DIAB O=C(Nc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CC1 12935050 WMJGEBLYBZYXQU-UHFFFAOYSA-N 302.324 4.161 0 40 DIAB COc1cc(C(=O)O)ccc1OCc1ccc(C(C)C)cc1 13420133 QIYDFSRLGZAHAO-UHFFFAOYSA-N 300.354 4.096 0 40 DIAB Cc1sc2nc(-c3cccnc3)[nH]c(=O)c2c1-c1ccccc1 13597916 DWSZFPQPFNDSKK-UHFFFAOYSA-N 319.389 4.022 0 40 DIAB Cc1ccccc1C(=O)NCCCc1ccc(OC(C)C)cc1 13667994 STFHHYPYIMPVQQ-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB O=C(NC1CCCCC1)C1=Cc2cc(Cl)ccc2OC=C1 15838552 LKKQYXMCJVYDFT-UHFFFAOYSA-N 303.789 4.078 0 40 DIAB Cc1c(C(=O)NCc2cccnc2)oc2c1ccc1ccccc12 17168653 REOABGPVTKHLTG-UHFFFAOYSA-N 316.360 4.219 0 40 DIAB Cc1ncccc1C(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19582979 JFOLOAGRAKOEPF-YRPNKDGESA-N 320.436 4.092 0 40 DIAB Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 20193494 QFWKXAJSUMIKOX-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1Cc2ccccc2O1 24780317 OVPKVAYNYZTEQR-KRWDZBQOSA-N 321.401 4.357 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2F)c(C)c1 28221267 WEZICTXNWPHUEE-LBPRGKRZSA-N 304.340 4.464 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OC 31095015 RPDVGQGUYFOBOF-AWEZNQCLSA-N 316.426 4.298 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2cccc3cccnc23)C1(C)C 32076159 WGKRKUILWWALSA-MSOLQXFVSA-N 322.452 4.132 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1cccc2cnncc12 33722855 DKGSIHSLCZFMLN-UHFFFAOYSA-N 316.474 4.131 0 40 DIAB CC(C)c1ccc(/C=C2/SC(=S)N=C2O)cc1[N+](=O)[O-] 34138192 DYEABDOWJYMFEK-IZZDOVSWSA-N 308.384 4.047 0 40 DIAB Clc1cc(I)c2nccc(Cl)c2c1 40566600 FKOSDCAERUFQBB-UHFFFAOYSA-N 323.948 4.146 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)cc2C)cc1F 44194833 SSPOWVPWJXFQRR-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB CCn1c(-c2ccc(O)c(Br)c2)nc2ccccc21 48526502 QBCSTTNGAUROMX-UHFFFAOYSA-N 317.186 4.191 0 40 DIAB Cc1nc(Cl)cc(Oc2ccc(F)cc2Br)n1 52835054 VIDVVIWJFAOISO-UHFFFAOYSA-N 317.545 4.132 0 40 DIAB Cc1ccccc1C(=O)CSc1nccn1-c1ccccc1 57486250 UPXKDIUFPYFOBK-UHFFFAOYSA-N 308.406 4.156 0 40 DIAB O[C@@H](CSCc1cc(-c2cccs2)on1)c1ccccc1 65477776 UUCQXOBDPYATQP-AWEZNQCLSA-N 317.435 4.370 0 40 DIAB COc1c(Cl)cc(C(C)C)cc1C(=O)N1CCC(C)CC1 72206561 DTCVIKPIUMJVTI-UHFFFAOYSA-N 309.837 4.344 0 40 DIAB Cc1cc(=S)[nH]cc1[C@H]1CCCCN1C(=O)c1ccccc1 72218357 CJPWJXVDFXSYLR-MRXNPFEDSA-N 312.438 4.420 0 40 DIAB Cc1nnc([C@H](C)N[C@@H](Cc2ccccc2)c2cccs2)o1 97373851 INHKNBYNJYPQLZ-WFASDCNBSA-N 313.426 4.074 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc3ccccc3o1)C2=O 100928284 ZRDLWQKYARPLAE-IXBGWNDUSA-N 301.411 4.314 0 40 DIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102292380 HGRAYTWTPLWEEQ-IONDEXAJSA-N 307.437 4.323 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1c(C)ccnc1C 332141781 KUBCENFKFUCQMS-MRXNPFEDSA-N 324.424 4.156 0 40 DIAB C[C@H]1Oc2c(ccc3cccnc23)[C@@H](C)N1C(=O)c1ccccc1 408733738 PJBWENPZWOIDDN-ZIAGYGMSSA-N 318.376 4.177 0 40 DIAB O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 69906 UQAQVHFSVMUPRG-UHFFFAOYSA-N 321.612 4.480 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)n1cnc2ccccc21 140860 YFQPEAYZAUNOKQ-NOZJJQNGSA-N 309.196 4.268 0 40 DIAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1C 385028 LBQIKKFEBKJIES-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Clc1ccccc1CNc1ncnc2c1[nH]c1ccccc12 538764 FDFOOTFIGKKUFJ-UHFFFAOYSA-N 308.772 4.377 0 40 DIAB CCOC(=O)c1sc(-c2ccccc2)nc1C(F)(F)F 1397263 REXPFHVYNJGBAB-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB OCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1615372 GFIWWODRDJUREQ-UHFFFAOYSA-N 309.407 4.358 0 40 DIAB CC[C@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 2653635 ZJLRGLOBTUSCEA-HNNXBMFYSA-N 322.408 4.095 0 40 DIAB O=C(OCc1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 3009614 NXCLFFSIQOXBII-UHFFFAOYSA-N 316.356 4.275 0 40 DIAB COCCn1cc(NC(=O)Nc2cccc(C)c2)c2ccccc21 5266469 UXGNVOVFQGJAOK-UHFFFAOYSA-N 323.396 4.240 0 40 DIAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@]12CC(C)=C(C)CS2 5602931 CAAQFTZFEXECTI-MRXNPFEDSA-N 320.845 4.275 0 40 DIAB CCC[C@@H](C)C(=O)Nc1ccccc1SCCCC(=O)O 8732902 BNJHYOVZQQCGMI-GFCCVEGCSA-N 309.431 4.018 0 40 DIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3c(C)cccc3C)oc2c1 9194368 ZVZDLIRKEGQTKD-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(F)c1 9677663 KMVARWIRRCKQCX-INIZCTEOSA-N 301.386 4.098 0 40 DIAB Cc1ccc(C)c(C(=O)NCCOc2ccc3ccccc3c2)c1 10995131 POZISTBJZKOOAL-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)o1 12604393 WJVHLAFZFIREHT-UHFFFAOYSA-N 317.348 4.384 0 40 DIAB COC(=O)c1ccc(CN(C)[C@@H](C)c2cc3ccccc3o2)cc1 12898242 GLYKJIZWDLEJQV-AWEZNQCLSA-N 323.392 4.412 0 40 DIAB C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 13617622 ADBLCXKVLSFZLV-FRVJLOGJSA-N 315.363 4.192 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 16850087 ZPBQRXGAGKWRND-UHFFFAOYSA-N 323.421 4.376 0 40 DIAB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 18131719 ZERRUXNUAORLFY-INIZCTEOSA-N 303.789 4.230 0 40 DIAB CC[C@H](NC(=O)CSc1ccc(OC)cc1)c1ccccc1 20491188 HGAQYWOJYWRLCQ-KRWDZBQOSA-N 315.438 4.055 0 40 DIAB O=C(O)c1cc(/C=C/c2ccc(F)cc2)nc2cc(F)ccc12 31855790 LVXZSUDJCUXGLQ-XVNBXDOJSA-N 311.287 4.382 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C)c1C 38773093 IPXCLGSEXJQKOO-GOSISDBHSA-N 313.397 4.108 0 40 DIAB COc1ccc([C@@H]2CCCCCN2Cc2nc(C)c(C)o2)cc1 40158340 YONMCUHZZSEBCY-SFHVURJKSA-N 314.429 4.417 0 40 DIAB C[C@H](NCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 58164005 RFEYJAUQEFHKPM-HNNXBMFYSA-N 310.441 4.101 0 40 DIAB Cc1ccccc1C[S@](=O)Cc1ccccc1C(F)(F)F 69807551 XDCXKTJRFOYYDO-OAQYLSRUSA-N 312.356 4.463 0 40 DIAB COc1ccc(CCCC(=O)Nc2ccc(F)cc2)c(C)c1 75287255 SFYZJSJAFZSSPX-UHFFFAOYSA-N 301.361 4.104 0 40 DIAB O=C(NCc1ccccc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80343970 VRNGUAWVAIAHOW-JKSUJKDBSA-N 320.219 4.413 0 40 DIAB CCNC(=O)c1ccc(O[C@@H]2CCCc3ccc(F)cc32)cc1 89977516 BJGLWAWFWDNSSO-GOSISDBHSA-N 313.372 4.032 0 40 DIAB CCCNc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCO1 95418973 HSFDRXFSJAGUJJ-CYBMUJFWSA-N 310.825 4.060 0 40 DIAB CC(C)n1ccc(=O)nc1S[C@H](C)c1cccc(Cl)c1 95948590 GCKHMUQIZOTTKT-LLVKDONJSA-N 308.834 4.331 0 40 DIAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccco1 96117307 HFGOXLQHQIBSNZ-CYBMUJFWSA-N 314.772 4.222 0 40 DIAB Cc1c(CNC(=O)N(C)[C@H](C)c2cccnc2)oc2ccccc12 96406877 QSJKPCZLNRTFFL-CQSZACIVSA-N 323.396 4.039 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586373 USXUQLHXRPSZBC-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB O=C(N1CCc2ccccc21)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100986056 GMDBBQFBAAHMAN-IHWOHKJGSA-N 315.844 4.154 0 40 DIAB C[C@@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]21 118926658 FHSSMFXPNPSOIA-RFMGOVQKSA-N 304.474 4.205 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223219057 JRZIODGUNWWWTN-YOEHRIQHSA-N 303.446 4.429 0 40 DIAB Cc1ccccc1C1(NC(=S)Nc2ccncc2)CCCC1 225874265 KIGHCNSPPOJYQR-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CCc1nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2n1C 225897573 HVMLGXQNYLCRCM-UHFFFAOYSA-N 321.424 4.313 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 409018538 XDUSDOVVPLUXFO-YWEFTTLKSA-N 307.440 4.243 0 40 DIAB O=C1S/C(=C/c2ccoc2)C(=O)N1Cc1ccc(Cl)cc1 409243753 YCBOYJHQMFNMRD-NTUHNPAUSA-N 319.769 4.170 0 40 DIAB O=C(Nc1scc(-c2ccccc2)c1C(=O)O)c1ccccc1 98583 MYVVMRPFGROVOK-UHFFFAOYSA-N 323.373 4.366 0 40 DIAB CCc1ccccc1NC(=O)c1ccc(Br)cc1 341902 UBLHTDUQXAYQMA-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB O=C(NCc1ccco1)/C(=C\c1ccccc1)c1ccccc1 466589 NQUWMPRBCHXJLW-RGEXLXHISA-N 303.361 4.137 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 560100 RRKTZVYOKPLEPL-CYBMUJFWSA-N 313.397 4.470 0 40 DIAB CSc1ccccc1NC(=O)c1ccc(Br)cc1 563007 UCEOJWVMLFFJTO-UHFFFAOYSA-N 322.227 4.423 0 40 DIAB Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1 848388 UEXJSXOCLTUFMK-UHFFFAOYSA-N 314.435 4.356 0 40 DIAB Clc1cc(CSc2ccccc2)nc(-c2ccncc2)n1 1387485 XVEYTXJXYGGKLG-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC1CCCC1 3403086 PNEMROOIJJNZPT-UHFFFAOYSA-N 323.820 4.101 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 4039840 KQQOPXJGPFQABO-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2c(F)cccc2Cl)[C@@H]1C 4652579 CRIVOBJCBMEMDD-LPBBKHDWSA-N 309.812 4.433 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(C)c(F)c2)c1 6966840 RBCNWLWVAFXYJV-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB C[C@H](NC1CCCCC1)C(=O)Nc1cc(Cl)ccc1Cl 7381054 OIRVCYZCZNUSMJ-JTQLQIEISA-N 315.244 4.243 0 40 DIAB CC(=O)Nc1ccc(-c2csc(-c3ccsc3)n2)cc1 8102631 UUCORQRFFPHFHA-UHFFFAOYSA-N 300.408 4.497 0 40 DIAB CCNCc1cccc(OC)c1OCc1ccccc1Cl 8227310 DHRIYJWQTIWTJE-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)cc1C 8324537 KZTYPOCLHSVLOS-AWEZNQCLSA-N 315.438 4.205 0 40 DIAB Cc1ccc(C)c(OCCC(=O)N[C@H](C)c2ccc(F)cc2)c1 8428210 POXGREVIZWCWOS-OAHLLOKOSA-N 315.388 4.089 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 8480519 ZKRIHDQYKFPOPX-MRXNPFEDSA-N 317.360 4.021 0 40 DIAB CCCc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 8995810 NCSKIUVXIZADSD-UHFFFAOYSA-N 316.213 4.050 0 40 DIAB CCC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 15589399 GYMDYLTYFXVURW-MRXNPFEDSA-N 313.397 4.226 0 40 DIAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)nc2c1 17323792 YMVLOMOMUSEUTD-ZDUSSCGKSA-N 320.392 4.043 0 40 DIAB c1ccc(C2N3[C@H](c4ccccc4)N[C@@H](c4ccccc4)N23)cc1 19170640 TXHUTFVKKSFFFY-YSSFQSMKSA-N 313.404 4.219 0 40 DIAB C[C@H]1CCC[C@@H](NC(=O)c2ccccc2Br)[C@@H]1C 19518064 DSLGRQCCJXUQJF-MISXGVKJSA-N 310.235 4.004 0 40 DIAB Cc1nc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)co1 22538159 MSDIFUBIZKPYJE-UHFFFAOYSA-N 305.548 4.196 0 40 DIAB CC(C)c1nnc2sc(-c3cccc(Cl)c3Cl)nn12 32070728 SQBFKCBDQBPERG-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB O=C(CCC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 32980023 MEXOYBDSNAPGTD-UHFFFAOYSA-N 321.298 4.307 0 40 DIAB Cc1ccc2oc(C(=O)N3CCOC34CCCCC4)c(C)c2c1 35671069 PQUXAGPWRXEULM-UHFFFAOYSA-N 313.397 4.182 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 40079784 BLWWVMGKRUGSCT-KRWDZBQOSA-N 318.420 4.239 0 40 DIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCCCc2ccccc21 40133911 CZXUDOABYZHVLO-UHFFFAOYSA-N 321.207 4.372 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 47219390 AKKANLAAPVNAHV-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCONC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 49346506 CMIDCIVKFFYAIO-UHFFFAOYSA-N 316.209 4.403 0 40 DIAB CCC[C@@H](C)NC(=O)CSCc1c(F)cccc1Cl 57684099 PWTHKPNCYSPRCI-SNVBAGLBSA-N 303.830 4.017 0 40 DIAB CCCn1ccc2cc(NC(=O)NCc3ccccc3)ccc21 58007123 CWWZBBZGFVQRLM-UHFFFAOYSA-N 307.397 4.373 0 40 DIAB C[C@@H]1CN(c2ccccc2CNc2ccc(F)cc2)C[C@@H](C)O1 89936860 OFTDESNYWQFRMO-HUUCEWRRSA-N 314.404 4.051 0 40 DIAB CC(C)(C)c1nc(-c2ccc(NCc3cscn3)cc2)no1 95428818 YJINPHLYSAYZBF-UHFFFAOYSA-N 314.414 4.103 0 40 DIAB CC(=O)c1ccc(Cl)c(NC(=O)c2ccc3ncccc3c2)c1 95966634 OFPSSHGXSAKHMN-UHFFFAOYSA-N 324.767 4.343 0 40 DIAB COC(=O)c1cc2cc(-c3ccc(OC)cc3)sc2s1 98181487 QPHKIWIXXNXEPR-UHFFFAOYSA-N 304.392 4.425 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2SCC)cc1 219956235 HHFONDXVKQQBOW-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1C 225626813 CHAFTEJFUFIYMC-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB O=C(NCc1cccc2ccccc12)C1(c2ccccc2)CC1 225988639 GEQFXLKUZPPKLF-UHFFFAOYSA-N 301.389 4.188 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(F)c(F)c1 253472151 JURSWDJLQXRYSK-NSHDSACASA-N 315.319 4.072 0 40 DIAB CCN(CC)CCOc1cccc(F)c1Oc1ccccc1 585264994 AVOSIRQQRCEZQU-UHFFFAOYSA-N 303.377 4.339 0 40 DIAB ClC(Cl)(Cl)COc1ccc(Br)cc1 1083811133 ZMOKQPZSFHDTQL-UHFFFAOYSA-N 304.398 4.198 0 40 DIAB Cc1nn(-c2ccc(F)cc2)c2oc(=O)cc(-c3ccccc3)c12 37767 DOTZIFLTVHDYKU-UHFFFAOYSA-N 320.323 4.093 0 40 DIAB COc1cc(NC(=O)c2oc3ccccc3c2C)cc(OC)c1 414661 KLVOBDGOBWSMIH-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB CN(C)CCCOC1(Cc2ccc(F)cc2)CCCCCC1 1584570 HWBQLCUKVXTSPS-UHFFFAOYSA-N 307.453 4.430 0 40 DIAB O=C(O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1 1689962 KMWYWXCIJWCOFD-UHFFFAOYSA-N 317.348 4.026 0 40 DIAB in-vitro CCCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 1819800 MMRDJSGDJYJGHK-UHFFFAOYSA-N 306.409 4.427 0 40 DIAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CCCC3 2388563 JRZBGFHJUKMXIK-UHFFFAOYSA-N 323.421 4.010 0 40 DIAB CCN(C(=O)c1ccc(Br)cc1)C1CCCCC1 2742503 DVUGBGYMIUSEBE-UHFFFAOYSA-N 310.235 4.244 0 40 DIAB CSc1cccc(NC(=O)CCCOc2ccccc2)c1 3548754 AZQCEXCEALQQJH-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB COc1ccc2cc(Nc3ccc4c(c3)OCCO4)ccc2c1 3847566 PDGGSIHDQBIBNP-UHFFFAOYSA-N 307.349 4.363 0 40 DIAB biogenic Cn1nc(/C=C/c2ccccc2Cl)nc1-c1ccccc1O 4786450 MKVCXACOVZZYQM-ZHACJKMWSA-N 311.772 4.012 0 40 DIAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1F 5245580 ZOYMOJFAIACSIF-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB Cc1ccc2cccc(OCC(=O)Nc3c(C)cccc3C)c2n1 5468581 ZHOQGEHGUQSJOV-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCSc2ccccc21 6649143 VNADROUIDVQMCS-KRWDZBQOSA-N 322.433 4.064 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)no1 6761907 WMBBHEJDRPJERU-STQMWFEESA-N 318.804 4.368 0 40 DIAB COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1 6809884 NPUFUSQJCIRFEK-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB Fc1ccc(NC(=S)NCCc2ccccc2)cc1Cl 7558104 BPUUHDOQZDZLGD-UHFFFAOYSA-N 308.809 4.008 0 40 DIAB Cc1ccc(SCC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1 8726694 LTNRSPKOJOQRTK-UHFFFAOYSA-N 318.442 4.320 0 40 DIAB O=C(Nc1cccc(F)c1)c1occc1COc1ccccc1 8727391 CRGRRKZKKJQROP-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB O=C(C[C@@H]1C=CCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 9416827 RPUFEVQVGOBCRW-CYBMUJFWSA-N 323.421 4.358 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ccsc1 11572391 CTMOYZPLNFHOKT-UHFFFAOYSA-N 314.454 4.228 0 40 DIAB O=C(/C=C\c1ccccc1)OCc1cc(-c2cccs2)on1 12236716 XQHJLTFGJYPGBK-HJWRWDBZSA-N 311.362 4.160 0 40 DIAB CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCc2ccccc21 24969039 MJNDILVHXMGXOI-KRWDZBQOSA-N 317.791 4.168 0 40 DIAB COc1ccc([C@@H](NC(=O)c2ccoc2C)c2ccccc2)cc1 25448670 NHEDVOKBAMJGFH-IBGZPJMESA-N 321.376 4.116 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1cccs1 32988688 DWLLUABBNAPSFN-WFASDCNBSA-N 319.401 4.018 0 40 DIAB O=C(OCc1ccccc1OC(F)F)c1c[nH]c2ccccc12 36710057 DRKGMPUFJVSATR-UHFFFAOYSA-N 317.291 4.126 0 40 DIAB CN(C)C(=S)c1ccc(-c2ccc(Cl)cc2Cl)o1 40542482 BAJJZLSYBHBPAJ-UHFFFAOYSA-N 300.210 4.491 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)N(Cc1ccccc1)C1CC1 45376208 YCJVHJYVSYOLKP-UHFFFAOYSA-N 320.436 4.092 0 40 DIAB COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccsc1 46031266 DJIFXFMNHPORKF-MRXNPFEDSA-N 316.426 4.264 0 40 DIAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 46082666 FCNLVBXDVMRONM-UHFFFAOYSA-N 322.330 4.170 0 40 DIAB CN(Cc1noc(-c2ccc(Cl)cc2)n1)Cc1cccs1 58186096 YJZAVYPJAWHIEJ-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB CCCCCC[C@H](CC)C(=O)N1CCC(c2nc(C)no2)CC1 69946913 MCXDUDQTQAPBDQ-HNNXBMFYSA-N 321.465 4.081 0 40 DIAB Clc1cnccc1CN1CC[C@@H](CSc2ccccc2)C1 75964618 ZAKYCCAESPTJEA-CQSZACIVSA-N 318.873 4.349 0 40 DIAB c1ccc2oc(NCc3ccnc(N4CCCCCC4)c3)nc2c1 95393113 JXQKYXINPJQJFJ-UHFFFAOYSA-N 322.412 4.215 0 40 DIAB Cc1cc(CN(C)[C@H](C)c2cccc(-c3ccncc3)c2)no1 95459793 PPHLPAPJTWQXCL-OAHLLOKOSA-N 307.397 4.238 0 40 DIAB CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 105581258 RBUIRFMMOKXJSA-ILXVDBEPSA-N 301.430 4.087 0 40 DIAB C[C@@H](O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118931413 UZBALNKEQDFPSB-HEEAJRSSSA-N 320.517 4.387 0 40 DIAB NC1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(F)cc2)C1 222548392 KEXDTMJKRURDGT-AWEZNQCLSA-N 324.186 4.356 0 40 DIAB Cc1cc(O[C@H](C)C(=O)NCC2CCCCC2)cc(C)c1Cl 224140159 WJTSEAUNDBNINS-CQSZACIVSA-N 323.864 4.421 0 40 DIAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(C)ccc1C 224684034 OWKKISRACMJSND-UHFFFAOYSA-N 324.424 4.086 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225632982 BQOHRYOICLVJRV-RDTXWAMCSA-N 305.418 4.009 0 40 DIAB CC(C)(C)OC(=O)N1CC/C(=C/c2ccccc2)C(F)(F)C1 396139333 RWRYFXWAAVWEGS-KAMYIIQDSA-N 309.356 4.346 0 40 DIAB O=C(NCCc1ccc(-c2ccsc2)s1)[C@H]1CC=CCC1 575414086 RCUUGWRRGPTCQM-ZDUSSCGKSA-N 317.479 4.492 0 40 DIAB O=C(Cc1ccsc1)N[C@@H](c1ccsc1)c1cccs1 575414652 HDZCPJNOFZJOPR-HNNXBMFYSA-N 319.476 4.319 0 40 DIAB CC(=O)Nc1ccc(OC(=O)Nc2cccc3ccccc23)cc1 401490 SUTUKDHFQKLVFY-UHFFFAOYSA-N 320.348 4.409 0 40 DIAB CCCC[C@H](CC)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2061900 IUHLYTFCDZAKRU-ZDUSSCGKSA-N 302.370 4.223 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(C)c(C)c1 2517637 ZVHRRRYXDCTUBU-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3606545 ZEXIOKMXUNVBMN-HXUWFJFHSA-N 323.436 4.348 0 40 DIAB CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4040487 NQUQIAYCNLKMTR-LYYPEUCTSA-N 316.441 4.265 0 40 DIAB CC(C)(C)c1csc(NC(=O)CSc2ccc(F)cc2)n1 4496728 FGYZLQBOGLHRLC-UHFFFAOYSA-N 324.446 4.311 0 40 DIAB Cc1cc(OCC(=O)Nc2ccc3cn[nH]c3c2)ccc1C(C)C 5267029 YUJFWTRNZPEIBL-UHFFFAOYSA-N 323.396 4.012 0 40 DIAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 6911098 JSLJIDLKABUSHD-UHFFFAOYSA-N 309.196 4.068 0 40 DIAB Cc1ccc2nc(CNc3cccc(C(F)(F)F)c3)cn2c1 7998471 WWDSAIIGWIOOBL-UHFFFAOYSA-N 305.303 4.274 0 40 DIAB Cc1nc(Sc2nnc(C3CC3)o2)c2c(C)c(C)sc2n1 8198697 SYKXEHZEMXOWSC-UHFFFAOYSA-N 318.427 4.028 0 40 DIAB Cc1ccc(C)c(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 8395760 RWJKSPOQVDYNAA-SFHVURJKSA-N 322.452 4.154 0 40 DIAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1cccs1 8726901 VUCNTQJVOHGCRH-CQSZACIVSA-N 324.449 4.333 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1 9190349 ABHSTJRFIMIPSW-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccccc2)no1 12595450 JGCADWCBDZKCRG-AWEZNQCLSA-N 305.381 4.078 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)c1cccs1 12783867 OVKBJCFTWOJPBR-RYUDHWBXSA-N 323.845 4.355 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 12988582 QMZWWGDNJBVARN-RISCZKNCSA-N 314.351 4.083 0 40 DIAB CCOc1ccc(NC(=S)NCCCc2ccccc2)cc1 13544307 SSCACFNNUBRQSY-UHFFFAOYSA-N 314.454 4.005 0 40 DIAB Cc1cnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 13735201 DNIVUEKDMHOBGE-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)CC2CCCC2)c(C)c1 14228775 GIIKNWLAGGUYAC-HNNXBMFYSA-N 317.429 4.062 0 40 DIAB CC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 14909427 CKVUHRQIMYWBRO-UHFFFAOYSA-N 322.408 4.189 0 40 DIAB CCc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 15544398 SCIXWMZUBTVCAT-UHFFFAOYSA-N 321.420 4.339 0 40 DIAB COc1cc2ccccc2cc1C(=O)N1c2ccccc2C[C@H]1C 16022849 PXLMFCRXOSITEF-CQSZACIVSA-N 317.388 4.440 0 40 DIAB Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1 18159403 UUKHMCQBTJVIKW-UHFFFAOYSA-N 300.745 4.117 0 40 DIAB c1ccc([C@H]2C[C@H]3c4ccccc4OC4(CCCC4)N3N2)cc1 19171721 XYMAJJUMIAREDB-MSOLQXFVSA-N 306.409 4.342 0 40 DIAB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccccc1 20462712 MNINOSJRWXIGOX-HNNXBMFYSA-N 309.365 4.323 0 40 DIAB CCC[C@@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246026 UIPSRJKOGMCPKJ-SNVBAGLBSA-N 321.421 4.253 0 40 DIAB Cc1ccc(C)c(-n2ccnc2SCC(=O)c2ccccc2)c1 26047462 GSIGRCFAIRAYHS-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1 30758473 XZINABVQHVEMJD-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 30848963 ATPZTJMTOXFIRF-HOTGVXAUSA-N 313.466 4.494 0 40 DIAB CC[C@]12CCCN(CCc3c([nH]c4c(OC)cccc34)CC1)C2 32275646 BIOVFIIYODPMOE-FQEVSTJZSA-N 312.457 4.157 0 40 DIAB biogenic,in-vitro CSc1cccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 32740550 GETLMPBPUYGYGP-UHFFFAOYSA-N 323.421 4.221 0 40 DIAB Cc1cc(N)cc2sc(Nc3nc4cccc(C)c4o3)nc12 57352666 KOBAPJZMFRCPBG-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB CC(C)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 58698308 ABEOPUFXIKLELV-UHFFFAOYSA-N 301.430 4.196 0 40 DIAB CNc1nc2c(s1)[C@H](c1c(F)cccc1Cl)CC(O)=N2 61719545 CQBLLNXLEGNJNV-LURJTMIESA-N 311.769 4.101 0 40 DIAB Cc1noc(C)c1CNc1cccc(OCC(F)(F)F)c1C 68963296 XVIFDYRSQGIZHT-UHFFFAOYSA-N 314.307 4.153 0 40 DIAB Cc1cc(F)ccc1NC(=S)Nc1ccc(N(C)C)cc1 71761146 KKMUXUJJBUGTMR-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB Cc1nc(C(=O)Nc2cc(Cl)ccc2O)c(C(C)C)s1 72402182 WSOIUUMJXRJOJX-UHFFFAOYSA-N 310.806 4.186 0 40 DIAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)c1cnccn1 84594977 ZXDUMXUMEUUIKW-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB COc1cccc(Cl)c1CNc1ccc(F)c(NC(C)=O)c1 89785110 NAHCUDVBKHPIHO-UHFFFAOYSA-N 322.767 4.058 0 40 DIAB COc1c(C)cc([C@@H](O)c2ccc(Br)cc2)cc1C 95730322 PHHUFPSJCYUOJV-HNNXBMFYSA-N 321.214 4.156 0 40 DIAB O=C(CCc1ccccc1F)N(Cc1ccsc1)C1CC1 96120294 WVMBBYAFWHPQRK-UHFFFAOYSA-N 303.402 4.011 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C1 96183948 FACWEGAGIFSMGG-GFCCVEGCSA-N 303.333 4.083 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c1 113951183 UOCZFXCIPXRQFO-QGZVFWFLSA-N 317.360 4.021 0 40 DIAB CCCC(CCC)OC(=O)c1snnc1-c1ccc(F)cc1 223841436 UPNCPGKLWFYFBH-UHFFFAOYSA-N 322.405 4.470 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 224071188 CAHAEDZHENCPQL-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB CCSc1ccccc1C(=O)N[C@H](C)c1ccccc1OC 224110617 MTHSIVCYWLDHRZ-CYBMUJFWSA-N 315.438 4.298 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCC2CCCCC2)c1 224426798 AZVDJAWGUNFLSZ-INIZCTEOSA-N 303.446 4.076 0 40 DIAB Cc1cc(C)cc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225036473 DFFHJJWTZIKZHC-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CC1=Nc2c(C)cccc2[C@@H](OCC(=O)Nc2cccc(C)c2)C1 227148553 QWQUZZMAELZOOE-SFHVURJKSA-N 322.408 4.496 0 40 DIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3C)S2)cc1 408773585 VKAZEOZGLPZMEE-GTVARFKMSA-N 324.449 4.157 0 40 DIAB Cc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)s1 656271123 KGWJMNIQPNCDCM-UHFFFAOYSA-N 323.465 4.379 0 40 DIAB Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 411387 KXIXEXLOARLYNM-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB Cc1ccc([C@@H](CC(=O)Nc2nccs2)c2ccco2)cc1 509437 JOISWSVPICNUFD-CQSZACIVSA-N 312.394 4.205 0 40 DIAB CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 1732128 FNEXNZUHBCBQTI-UHFFFAOYSA-N 311.592 4.369 0 40 DIAB CC(C)(C)NC(=O)c1cccc(COc2ccccc2Cl)c1 2752249 FHHUHANCDHAKGH-UHFFFAOYSA-N 317.816 4.447 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@@H]1CCCC[C@@H]1Cc1ccco1 4940661 KXEYICQCKZUATP-JXGFJBPRSA-N 309.409 4.211 0 40 DIAB C[C@H]1CCc2c(C(=O)NCCC3=CCCCC3)csc2C1 5070232 RJZLLDWOSDZJIK-ZDUSSCGKSA-N 303.471 4.493 0 40 DIAB Cc1cc(OC(=O)Cc2nc3ccccc3[nH]2)ccc1C(C)C 5387223 KEYCMDZZXSJFEO-UHFFFAOYSA-N 308.381 4.143 0 40 DIAB Cc1ccc(Cl)c2c1N(Cc1ccccc1Cl)C(=O)C2=O 6757128 PFMSFGZCZRORMP-UHFFFAOYSA-N 320.175 4.031 0 40 DIAB Cc1cccc(CNC(=O)CSCc2ccccc2Cl)c1 10447491 VTLNSEZPMCXOEX-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1Cl 11425403 ACISXXCXLRTJCG-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12815892 NUXZWLRQTKRDQQ-CABCVRRESA-N 324.424 4.162 0 40 DIAB Clc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13132075 MEYFTBIXXHZJJB-HOTGVXAUSA-N 310.788 4.078 0 40 DIAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2)cc1 14258406 LMXBUNBGQTWYFW-UHFFFAOYSA-N 310.397 4.240 0 40 DIAB CCOc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1 15835272 JYNHTRQYDIOSBO-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB COc1cccc(COC(=O)Nc2cccc(Cl)c2)c1OC 16228198 QRWBOZHYELUQET-UHFFFAOYSA-N 321.760 4.106 0 40 DIAB CCOC(=O)/C=C(\Nc1ccccc1Cl)c1ccccc1 16969010 FDOLBUGWLGKMOY-VBKFSLOCSA-N 301.773 4.356 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccccc1 20492775 GSSOVTBMACMJDF-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCCCC2)cc1 27664378 XIASEDNBTGOJFU-LJQANCHMSA-N 316.489 4.074 0 40 DIAB COc1cc(C)ccc1OC(=O)c1cc2ccc(C)cc2nc1C 33153392 GCOQMOATMBJIFM-UHFFFAOYSA-N 321.376 4.388 0 40 DIAB CCCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 45684554 NBWLGDWTQWTRQC-UHFFFAOYSA-N 322.202 4.125 0 40 DIAB CC[C@@H]1c2ccsc2CCN1Cc1ccc2c(c1)OCCO2 58378512 CNRNBUFTIYOSQF-OAHLLOKOSA-N 315.438 4.029 0 40 DIAB C[C@H](C1CC1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 58439211 MFOOUNWMMCYLTJ-SNVBAGLBSA-N 320.845 4.334 0 40 DIAB CC(=O)N(C)c1ccc(N[C@H](C)c2cc(F)ccc2F)cc1 71902618 DSGZPCYLFBFCSD-LLVKDONJSA-N 304.340 4.121 0 40 DIAB CC(C)N(C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(C)C 78612619 WYEZFUOAOCMMOT-LSDHHAIUSA-N 313.363 4.454 0 40 DIAB C[C@@H](Cc1ccccc1Br)N[C@@H](C)c1cccnc1 90400551 UANMGTAHITXXOQ-STQMWFEESA-N 319.246 4.126 0 40 DIAB O[C@@H](c1ccc(Cl)c(F)c1)c1ccccc1Br 95730061 PEDMLGKCJFWVSF-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Cc1cc(F)cc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1 95916968 NGGLFLUBADUBHW-UHFFFAOYSA-N 304.189 4.061 0 40 DIAB CC/C=C\C/C=C\CC(=O)[C@@H](O)CCCCCCCC(=O)O 100240526 NJAYHLDXCVDTEV-BGZLHHJDSA-N 310.434 4.034 0 40 DIAB 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CC(C)c1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 356172 SJWFLDYGJWLUED-LICLKQGHSA-N 309.340 4.294 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(OC(F)F)c1 374275 YWJPZXBIVRZRDP-UHFFFAOYSA-N 303.308 4.029 0 40 DIAB CC(C)C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 508244 LNDCSPQHVRXQNW-KRWDZBQOSA-N 307.397 4.080 0 40 DIAB Cc1sc2c(c1C)c(=O)nc1n2Cc2ccc3ccccc3c2-1 1274855 SHBVMGXHJWLNSY-UHFFFAOYSA-N 318.401 4.257 0 40 DIAB FC(F)(F)c1nnc(-c2ccccc2)nc1NC1CCCCC1 1390238 FLZMQROTPQEFBJ-UHFFFAOYSA-N 322.334 4.302 0 40 DIAB CCN(CC)CCN(C(=O)Oc1ccccc1)c1ccccc1 1598106 CSQOOURBIGCYKG-UHFFFAOYSA-N 312.413 4.034 0 40 DIAB Cc1ccsc1C(=O)NCc1ccc(Cl)cc1Cl 3343550 JLIUKCULVMRCII-UHFFFAOYSA-N 300.210 4.293 0 40 DIAB CC(C)c1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 4558821 JRULJXYAUZWXJW-UHFFFAOYSA-N 316.213 4.221 0 40 DIAB Cc1ccccc1C1=N/C(=C\c2ccc3ccccc3c2)C(=O)O1 4714054 ALEYGQJTNIRNJG-UYRXBGFRSA-N 313.356 4.493 0 40 DIAB CCn1cc(NC(=O)N2CCc3ccccc32)c2ccccc21 5266113 VFANYWBAAOOIPC-UHFFFAOYSA-N 305.381 4.256 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 5699802 ZKHWJEKLAPXDQT-LLVKDONJSA-N 309.287 4.111 0 40 DIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccncc2)N3)C1 6247098 JOLZASFSZCJYLS-BONVTDFDSA-N 313.426 4.087 0 40 DIAB O=C(Cc1ccsc1)Nc1nc(-c2ccc(F)cc2)cs1 6342099 MDOYFSPPBHUSAU-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB COc1ccccc1NC(=O)Cc1coc2c(C)c(C)ccc12 6809883 OVFCUPWITMGLNX-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc2ccccc2c1 7223758 WQIWKZXBSSXIFY-AWEZNQCLSA-N 320.392 4.288 0 40 DIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 7242466 RVTJFHWHFRXCNR-GFCCVEGCSA-N 314.816 4.268 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1C 7584000 LOVWRFRHPSYJRL-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2Cl)cc1C 8493663 OMNZVYHBRBHNRU-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(Cl)c1 10542373 IIJWXNUGBNXVCV-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1 11613713 CDYWMVZLIRKMHQ-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB CC(C)[C@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 12525533 BUXITISMWBPAMD-AWEZNQCLSA-N 323.425 4.377 0 40 DIAB CN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 12736026 SJWOJDUUALVKEG-UHFFFAOYSA-N 302.786 4.226 0 40 DIAB C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(C)O 13424376 XDCSRNLDRQBFAD-XNFNUYLZSA-N 309.453 4.438 0 40 DIAB O=Cc1c(-c2cccs2)[nH]c2ccc(Br)cc12 19724868 UDEWVAQNMBKVEX-UHFFFAOYSA-N 306.184 4.471 0 40 DIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1ccccc1 20632665 UPYBIQBHRLMKHH-AWEZNQCLSA-N 322.795 4.438 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C 22839578 RQOYXIBTUQGBBN-ZFWWWQNUSA-N 323.383 4.143 0 40 DIAB C[C@@H](NC(=O)CCc1cccnc1)c1ccc(Cl)cc1Cl 23555740 HHSRZFSOZLVMDU-LLVKDONJSA-N 323.223 4.198 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 24958005 HZNSKHRQRNWZBB-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Fc1ccccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 29824836 IXXVOYOJAWZWQB-OAHLLOKOSA-N 310.372 4.347 0 40 DIAB COc1ccc2c(CC(=O)NCCCC3CCCC3)coc2c1 31636063 JSAUJFLUBWQYLV-UHFFFAOYSA-N 315.413 4.071 0 40 DIAB O=C(c1ccccc1)[C@H](NCc1ccccc1)c1ccccc1 31924219 SQQWTTDNPOMJNY-HXUWFJFHSA-N 301.389 4.400 0 40 DIAB Cc1nc2ccccc2nc1N1CCC(c2ccc(O)cc2)CC1 32771219 FOBSXTRHVYOWEB-UHFFFAOYSA-N 319.408 4.028 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1cccs1 32988682 DWLLUABBNAPSFN-IUODEOHRSA-N 319.401 4.018 0 40 DIAB COc1ccc(Br)cc1CNc1ccccc1C 34937767 YXIPUVZOANKVMF-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB Cc1cc(Br)oc1C(=O)N(CCC(C)C)C1CC1 44480102 CLZRCOKYZBVDKT-UHFFFAOYSA-N 314.223 4.001 0 40 DIAB CN(C)C(=O)Cc1nc(-c2ccccc2)c(-c2ccccc2)s1 55049336 UGWBGGWPPXAPNS-UHFFFAOYSA-N 322.433 4.108 0 40 DIAB CC[C@H](Sc1nnc(-c2cccnc2)n1C)c1ccccc1 58209906 MOHKUDBPKOQZQE-HNNXBMFYSA-N 310.426 4.121 0 40 DIAB COc1c(Br)cc(C(C)C)cc1Br 59847545 PUEPRZHVZWBYOJ-UHFFFAOYSA-N 308.013 4.344 0 40 DIAB O=C([C@H]1CC=CCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840034 PFIIVDSDPDBZEN-INIZCTEOSA-N 308.425 4.230 0 40 DIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)Nc1ccccc1 77118918 YNSVAFZELQZRGI-LJQANCHMSA-N 320.392 4.085 0 40 DIAB Nc1cc(-c2csc(N3CCCCCC3)n2)ccc1Cl 95097241 CGKZFRLRIISJOQ-UHFFFAOYSA-N 307.850 4.426 0 40 DIAB Cc1nc(CNc2ccccc2O[C@@H](C)c2ccccc2)no1 95409880 WHXYTQJVOIVTKT-ZDUSSCGKSA-N 309.369 4.130 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCCc2ccccc21 222991447 FXNHIHFYWASHBM-HXUWFJFHSA-N 323.436 4.440 0 40 DIAB CC(C)Oc1cccc(CCCNC(=O)NC2CCCCC2)c1 225756586 DYWPZRLCGJERDN-UHFFFAOYSA-N 318.461 4.038 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H]2CCCN3CCCC[C@H]23)C1 253486958 BMRXTFOKVYWSJF-AJYBTWMASA-N 304.522 4.152 0 40 DIAB O=C(OCc1ccccc1)N1CCC(CNc2ccccc2)CC1 1857793843 GDWOMLWJDXGFGW-UHFFFAOYSA-N 324.424 4.147 0 40 DIAB O=C(CSCc1ccc(F)cc1)NCc1ccccc1Cl 262639 FDADTMKHKKEIRS-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB CCOc1ccc(C(=O)Oc2ccc3ccc(O)cc3c2)cc1 365212 KUMXIJONOGHLEQ-UHFFFAOYSA-N 308.333 4.163 0 40 DIAB O=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 2638843 JILIUZPPXVQBRU-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1c(F)cccc1Cl 3334581 RMEGRDJVZXCZQP-OAHLLOKOSA-N 303.764 4.287 0 40 DIAB Cc1cccc(NC(=O)N(C)CCOc2ccc(Cl)cc2)c1 3359282 WJMJVYWOKHUOKD-UHFFFAOYSA-N 318.804 4.191 0 40 DIAB Cc1cc2oc(=O)cc(CN(C)c3ccccc3)c2cc1Cl 3582759 KJYLUNSOHMTXBA-UHFFFAOYSA-N 313.784 4.391 0 40 DIAB Clc1cccc(CSc2ccc(-c3ccncc3)nn2)c1 4392130 KVAKLXWMSJHXFN-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB O=C(Nc1cccnc1)/C(=C/c1ccccc1)c1ccccc1 4688371 FJIRQBGBXRFKPF-XMHGGMMESA-N 300.361 4.261 0 40 DIAB CCOc1ccc(CNc2ccc(Br)cc2)cc1 4712289 WLBLGUIPOWVQSQ-UHFFFAOYSA-N 306.203 4.460 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1cc(F)c(F)cc1Cl 5611274 SXKXJZXJVYDZTM-UHFFFAOYSA-N 307.727 4.359 0 40 DIAB CCOc1ncccc1C(=O)Nc1cc(Cl)ccc1Cl 6152121 GNVXVXQQFBHOSE-UHFFFAOYSA-N 311.168 4.039 0 40 DIAB Cc1ccc2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 7342802 PPYUJVQEHGFFDG-UHFFFAOYSA-N 304.349 4.262 0 40 DIAB CC(=O)c1ccc(-c2ccc(C(=O)Oc3ccccc3)o2)cc1 7657686 JCTLNWGJHHXVFB-UHFFFAOYSA-N 306.317 4.368 0 40 DIAB CC[C@@H](C)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 7969378 YITIZNZCPDTEMD-BEFAXECRSA-N 311.425 4.141 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C 8480541 PKFJLBWNTUOITF-CQSZACIVSA-N 317.816 4.041 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)c1nc(Cl)ccc1Cl 8750236 VVNILIIRMLIVCQ-UHFFFAOYSA-N 321.207 4.290 0 40 DIAB O=C1C[C@H](c2ccccc2Cl)c2c(-c3ccccc3)n[nH]c2N1 8995492 WQCNDUZLACZGFS-CYBMUJFWSA-N 323.783 4.204 0 40 DIAB Cc1ccc(NC(=O)C2CCCCC2)cc1N1CCCCC1=O 10221005 KAYRJQJMWQLYOP-UHFFFAOYSA-N 314.429 4.031 0 40 DIAB Cc1cc(C)cc(C(=O)NCCCCOc2ccc(F)cc2)c1 12392664 IMLMOHFICNAOTL-UHFFFAOYSA-N 315.388 4.032 0 40 DIAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc2ccccc2[nH]1 12532906 MBAIQWDIEVHRAY-UHFFFAOYSA-N 323.396 4.012 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1F 13010214 OTJMYAARSLEWAO-CYBMUJFWSA-N 311.356 4.334 0 40 DIAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3o2)c1 13167830 BZWJASMDXRAAAV-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB CC(C)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 13249099 GNBQQWZYTSKIHL-UHFFFAOYSA-N 303.402 4.174 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 13709822 VBTCWNYUXJMDGF-LLVKDONJSA-N 321.829 4.468 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2)cc1 15540893 GRNHEJMHPFIOJG-LJQANCHMSA-N 309.409 4.289 0 40 DIAB Cc1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)cccc1C(=O)O 20145123 DATURFIDVMVRLC-FMIVXFBMSA-N 323.392 4.469 0 40 DIAB C[C@H]1CCc2nc(NC(=O)c3ccc4ccccc4n3)sc2C1 21797916 YMWWCZLNAAWTEV-NSHDSACASA-N 323.421 4.068 0 40 DIAB C[C@@H]1CCc2sc(C(=O)Nc3nc4c(s3)CCC4)cc2C1 23040840 NBDHDXVZJJFFOF-SECBINFHSA-N 318.467 4.070 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCCC[C@H]1C 23177772 XHVNYFIINRTCEU-PWSUYJOCSA-N 304.415 4.020 0 40 DIAB Cc1ccc(Cn2cc(NC(=O)Nc3cccc(F)c3)cn2)cc1 27920039 XZGWTQLPXOTFGX-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738313 ZPSRISJRCMBPTJ-LBPRGKRZSA-N 319.364 4.109 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1 32739217 ZSTMLWRAODEUBL-UHFFFAOYSA-N 317.410 4.184 0 40 DIAB COc1cccc(CO)c1OCc1c(Cl)cccc1Cl 35413055 POYKYLICYNHYOQ-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(-n2cccc2)cc1 40079786 BLWWVMGKRUGSCT-QGZVFWFLSA-N 318.420 4.239 0 40 DIAB Fc1ccc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1 42132388 WUCYSNRRSSRVLV-HNNXBMFYSA-N 310.372 4.347 0 40 DIAB COc1ccccc1-c1ccccc1C(=O)N1CCCCCC1 47988463 SILRBLWTMSIJIH-UHFFFAOYSA-N 309.409 4.378 0 40 DIAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(C)c(C)c2)c1 51354151 DAVWAQRCKFJHPC-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB Cc1cc2nc(SC(=O)c3ccccc3)nc(C)c2cc1C 59431808 DKUXGFWIPMMBNC-UHFFFAOYSA-N 308.406 4.488 0 40 DIAB CCN(CC)C(=O)c1ccc(-c2nc3ccccc3s2)cc1 59842887 YLFRRSCZYSJFDT-UHFFFAOYSA-N 310.422 4.445 0 40 DIAB O=[S@@](Cc1ccccc1)Cc1csc(C2CCCC2)n1 69659512 UEPDVKXOGAJVKE-HXUWFJFHSA-N 305.468 4.250 0 40 DIAB COCc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1 69663166 PPUDAEDAHSDSLQ-UHFFFAOYSA-N 323.314 4.042 0 40 DIAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2cccs2)CC1 75157031 OHAOQPNFKNPQAS-UHFFFAOYSA-N 319.857 4.350 0 40 DIAB COc1ccc(F)c(NCc2ncc(-c3cccs3)o2)c1 88535581 ZZGAQSVWJHMVHP-UHFFFAOYSA-N 304.346 4.163 0 40 DIAB Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1 95534166 UDNZQGHCLQMZIX-KRWDZBQOSA-N 320.440 4.126 0 40 DIAB C[C@@H](COc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 224651594 QAJWJMNEMCVDCZ-KRWDZBQOSA-N 323.436 4.082 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)c(Cl)c1 225004667 QSPSSCUEDCALND-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCCCC1 225687016 BXSGOPAKSDSMEC-IBGZPJMESA-N 315.457 4.125 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c(C)n1 225895134 TXKHTEZGBZYESD-GOSISDBHSA-N 322.449 4.103 0 40 DIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccnc1)N2 247359568 DQNTZNICYJAPSG-IAEISPRFSA-N 320.392 4.076 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)Cc2ccc(C)s2)c2ccccc2n1 523148916 FEUKXYIRXOOODJ-LBPRGKRZSA-N 324.449 4.274 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)Nc1nccs1 1775972042 AELBJPVHMMHLDR-NSHDSACASA-N 313.492 4.061 0 40 DIAB Cc1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc1 1889302858 SRUHRDCLIXTDKJ-UHFFFAOYSA-N 300.365 4.033 0 40 DIAB CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 107815 QZQVNIGHLYUJII-UHFFFAOYSA-N 315.760 4.282 0 40 DIAB Cc1cccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c1 177252 GGEFTKHXYAXEGY-PDGQHHTCSA-N 305.377 4.463 0 40 DIAB CCc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 222814 BQHRCBDCITXMDN-ROUUACIJSA-N 322.387 4.126 0 40 DIAB CSc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 312977 DRNFDTUPGWUQBM-UHFFFAOYSA-N 318.401 4.261 0 40 DIAB CCOC(=O)c1cc(C(=O)OCC)c2c(C)cc(C)cc(C)c1-2 384109 BKXQPVPFNODCNO-UHFFFAOYSA-N 314.381 4.070 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1CCCO1 467336 KIYDTTKIKIXTLO-HNNXBMFYSA-N 324.405 4.081 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2cccc3ccccc23)cc1 3148483 CDBPYISHDKUGBE-CQSZACIVSA-N 305.377 4.339 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCc2ccccc21 3327943 NGFUUZWQIRMJSP-AWEZNQCLSA-N 304.393 4.110 0 40 DIAB Cc1ccc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 5154838 VQCZRSOMQCTCOR-UHFFFAOYSA-N 308.406 4.038 0 40 DIAB O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(CO)cc1 6082304 FXTHCNSVVKYPNZ-UHFFFAOYSA-N 318.372 4.203 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1 6244361 DYOWIFNFWULWKV-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB Nc1nc(CSc2ccc3ccccc3n2)nc2ccccc12 8166099 DNJVPSMABIQTHR-UHFFFAOYSA-N 318.405 4.053 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1 9368178 MVJSMEHGNQNKDU-WRSAYESZSA-N 310.397 4.380 0 40 DIAB CCOc1ccccc1NC(=O)CCc1ccccc1Cl 10457818 ZKOGEZYKLGHPLM-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB O=C(Nc1cccc2ccccc12)N(Cc1ccncc1)C1CC1 11006537 BWZHSEUKPHUWBU-UHFFFAOYSA-N 317.392 4.431 0 40 DIAB CC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 11309233 HZCWDSWWDNXHOT-GOSISDBHSA-N 322.408 4.167 0 40 DIAB Cc1cccc(CSc2nnc(COc3ccccc3)o2)c1 12249444 FQDKFSXTUOIUBZ-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12 12859321 SOBBYUFDLDJFKX-UHFFFAOYSA-N 319.191 4.060 0 40 DIAB CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1ccncc1 13285709 HVYSXVMZOFOGLT-UZYVYHOESA-N 323.465 4.468 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCCc2ccccc21 13994779 UAXHHOGSPSKPOF-GOSISDBHSA-N 309.409 4.132 0 40 DIAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F 14679276 PANZANQYSOZPHY-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB COC(=O)c1ccccc1SCc1nc2ccccc2nc1C 15108498 MZUILEPRUHULHH-UHFFFAOYSA-N 324.405 4.017 0 40 DIAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1F 17064735 ZZMMMBJRHMYGOV-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 18177222 SWBQBFVUPAQVCX-UHFFFAOYSA-N 313.159 4.454 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 20459773 IBZDNTSGIWIWJE-ZIAGYGMSSA-N 317.429 4.325 0 40 DIAB COc1ccc(C(=O)O)cc1COc1cccc2ccccc12 24549328 IXQPVYOPPCKLLC-UHFFFAOYSA-N 308.333 4.126 0 40 DIAB Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCCC2 29570044 YMKSODDTUCIDIF-UHFFFAOYSA-N 305.830 4.484 0 40 DIAB CC[C@H](C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 29808638 NCSHQSMFPFITGX-AWEZNQCLSA-N 311.429 4.210 0 40 DIAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)c1ccc(F)cc1 32911133 IXIZJXGTTCUKBI-SNVBAGLBSA-N 312.373 4.203 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 32915463 AEDFFWWYGWEWFU-KRWDZBQOSA-N 317.454 4.339 0 40 DIAB C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc2ccccc12 32986382 HWBLXBDDIABIPT-HZMBPMFUSA-N 308.208 4.211 0 40 DIAB Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@@H]1[C@H](C2)C1(C)C 37858829 HRJHJSVXCGLCEV-LIRRHRJNSA-N 303.409 4.333 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)o1 40082243 ZRSNVFYUFWHOPM-UHFFFAOYSA-N 300.745 4.296 0 40 DIAB Clc1cc(-c2ccccc2)ccc1OC[C@@H]1CCCNC1 42774988 SQMCCKVIUMPBOB-CQSZACIVSA-N 301.817 4.385 0 40 DIAB CC1(C)COC(CCCCC(=O)c2ccc(Cl)cc2)OC1 43214493 MKFNOHTWZNGJRS-UHFFFAOYSA-N 310.821 4.482 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 44841920 QTYVIVBSUPDYQA-KRWDZBQOSA-N 322.452 4.476 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)Nc1cc(F)ccc1F 51354430 KLPRVZPZGPMBIJ-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CC1CCC(N(C(=O)CCc2ccccc2F)C2CC2)CC1 58701625 NNTJRUGIRGQZKB-UHFFFAOYSA-N 303.421 4.328 0 40 DIAB Cc1ccc(CNCc2ccc(Br)cc2)cc1F 70160118 FMSHKHBEVVEDTB-UHFFFAOYSA-N 308.194 4.186 0 40 DIAB CCOC(=O)/C=C/c1c(-c2ccc(C)cc2)nc2cc(C)ccn12 71405447 UWJOCKIQZMTJGY-MDZDMXLPSA-N 320.392 4.194 0 40 DIAB CC(C)c1nn(C)c(Cl)c1CNC[C@@H](C)c1ccccc1 71809758 CUEKYZWZQQDMPP-CYBMUJFWSA-N 305.853 4.090 0 40 DIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2)cn1 72215082 LZCRGBAWRYWLEX-ZFWWWQNUSA-N 319.449 4.046 0 40 DIAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)n1 72273750 FSJYPWZMHFXBDP-AWEZNQCLSA-N 304.415 4.029 0 40 DIAB Cc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(C)C)n[nH]2)cc1 72309643 IVRLXAHETZPXJN-ZDUSSCGKSA-N 300.406 4.066 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N2CCC23CCC3)ccc1C(C)C 72311368 YWAGBWFRLVZVEX-OAHLLOKOSA-N 301.430 4.041 0 40 DIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2)o1 75544137 NZWARFWYGYKYPN-BBRMVZONSA-N 313.401 4.242 0 40 DIAB CC(C)C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 95949714 WZWHHZCLRSANTB-KSSFIOAISA-N 323.440 4.294 0 40 DIAB CCS(=O)(=O)c1cc[nH]c1-c1ccc(-c2ccccc2)cc1 96532702 KGVVTEVSNNZMPM-UHFFFAOYSA-N 311.406 4.142 0 40 DIAB CCc1nnc(CN[C@@H](C)c2ccc(Cl)c3ccccc23)o1 185389881 XWPJOFZKZDDXTR-NSHDSACASA-N 315.804 4.289 0 40 DIAB FC(F)c1nnc(NCc2cnc(C3CCCC3)s2)s1 195562793 SLVIGICZLOEABJ-UHFFFAOYSA-N 316.402 4.202 0 40 DIAB CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCCC1 225708625 BFCVWAHSXYWVFK-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB CC1(C)CN(C(=O)Nc2ccc(F)cc2)Cc2ccccc2O1 581362643 ZBGMFDIPKHWPHL-UHFFFAOYSA-N 314.360 4.031 0 40 DIAB C[C@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 251120 CQUBGBZSMXDPTM-INIZCTEOSA-N 324.424 4.149 0 40 DIAB COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 408760 BJYVONFMVDPYCK-UHFFFAOYSA-N 324.332 4.055 0 40 DIAB biogenic CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc3ccccc23)C1(C)C 3102257 WXFDAEOCHFJGBI-WBVHZDCISA-N 309.409 4.420 0 40 DIAB Cc1cccc(-c2cnn(-c3cccc(C(F)(F)F)c3)c2N)c1 3133762 NGPMHAWHXTUKPI-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB COc1cccc(OC)c1OC(=O)c1ccc(C(C)(C)C)cc1 3418001 RDWSJXKITAFAEM-UHFFFAOYSA-N 314.381 4.221 0 40 DIAB O=C(Nc1ccc2sccc2c1)c1coc2ccccc2c1=O 4194669 ASRNQQWHUBTBCW-UHFFFAOYSA-N 321.357 4.260 0 40 DIAB COc1ccc(Cl)c2sc(NC(=O)c3ccccc3)nc12 5256557 XZFRRQHDHYEWBL-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 5873191 RNUBJZNPLIGDOB-RDTXWAMCSA-N 311.450 4.361 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 5951092 WBRHVWUXYQFGDJ-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB Cc1nc2ccc(NC(=O)CCOc3ccccc3)cc2s1 6998317 WDSUNLODYPNGOK-UHFFFAOYSA-N 312.394 4.012 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(F)cc2)c1 8371121 GXJRJJJCSQROND-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1cc(N)cc(-c2nc3cc(Cl)cc(Cl)c3o2)c1O 8703362 JKBJTNHUJZSHHH-UHFFFAOYSA-N 309.152 4.398 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 10364821 MBUFCFGBFUEYOK-UHFFFAOYSA-N 318.214 4.329 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1cccc(C)c1C 12534249 YVMUXYIAHWVGDE-HNNXBMFYSA-N 312.413 4.060 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F 12787571 FOUAWMLHGCTKHQ-JATZPVMKSA-N 303.764 4.370 0 40 DIAB Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1C 12916480 NBCXDRGAFRPNAR-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12918696 KTSNERTWWSIQGS-KRWDZBQOSA-N 315.800 4.230 0 40 DIAB CC(C)C(NC(=O)[C@H](C)Oc1cccc2ccccc12)C(C)C 13709068 SULMSSGHCRQUPX-HNNXBMFYSA-N 313.441 4.404 0 40 DIAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc1 14138746 HIQSLPACDZSJBO-HNNXBMFYSA-N 322.452 4.375 0 40 DIAB CSc1ccc(CN2CCN(C3CCCCCC3)CC2)cc1 19359603 SFXOCNGWIGTBHY-UHFFFAOYSA-N 318.530 4.249 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2cccc(Cl)c2)s1 19927562 PFXYOOGPKLQLML-ZANVPECISA-N 324.858 4.272 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccc2c3c(cccc13)CC2 27247911 WPYODNXCVJGPMZ-UHFFFAOYSA-N 301.389 4.428 0 40 DIAB Cc1cc(/C=C/C(=O)NCC2CC2)c(C)n1C1CCCCC1 27466708 DJHRFUMCNGRQBX-ZHACJKMWSA-N 300.446 4.150 0 40 DIAB Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39755900 LNKMAKUYJPEYCN-UHFFFAOYSA-N 322.452 4.154 0 40 DIAB O=C(O)c1cc2c(OCc3ccc(Cl)cc3)cccc2[nH]1 40352031 XZHGAOIMMHDLOQ-UHFFFAOYSA-N 301.729 4.099 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40525608 MJOUIZUSYWEWIJ-SNVBAGLBSA-N 320.742 4.455 0 40 DIAB CCOc1cccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c1 44903096 MZVAPTDESRXUMQ-UHFFFAOYSA-N 311.425 4.313 0 40 DIAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 55447334 WFUIYIUJIBJPJN-CYBMUJFWSA-N 306.818 4.082 0 40 DIAB O=C(O)c1c(Br)c2ccccc2n1-c1ccccc1 57347406 AJYPAJLLDFVWRM-UHFFFAOYSA-N 316.154 4.091 0 40 DIAB CCN(CC)C(=O)/C=C/c1cccc(OCc2ccccc2)c1 58474868 IKWVVAMUVZBIMG-BUHFOSPRSA-N 309.409 4.147 0 40 DIAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1N1CCCCC1 72219181 DMFYMBVLHYTBMO-GOSISDBHSA-N 301.478 4.316 0 40 DIAB C[C@H](OC(=O)CC(C)(C)C)c1nc2cc(Cl)ccc2n1C 75104063 BKBYSFRJWVADSQ-JTQLQIEISA-N 308.809 4.267 0 40 DIAB COc1cccc(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 75107502 HGZVRDMESLISHZ-OXJNMPFZSA-N 323.436 4.032 0 40 DIAB COc1ccc(C)c2c(Nc3ccc(C(=O)O)cc3)cc(C)nc12 78401738 WSGSDBUJAQVKJQ-UHFFFAOYSA-N 322.364 4.302 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccco3)cc2)oc1C 95381747 QSJTWJQRWGNVCR-HOTGVXAUSA-N 322.364 4.294 0 40 DIAB Cc1c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc2c(F)cccc12 105764112 XSHQCIDZIKURRF-PWNZVWSESA-N 315.388 4.435 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 113960819 ZDUANKOHXOIJNU-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 219274526 RCQWLUFIHPWGKV-SFHVURJKSA-N 323.436 4.265 0 40 DIAB O=C(c1ccsc1)N1CCS[C@H](c2cccs2)CC1 219500484 FECRKSUAHUKYTN-ZDUSSCGKSA-N 309.481 4.130 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1=CCCCC1 224621315 SZNQUQGZLMADPO-MRXNPFEDSA-N 307.821 4.114 0 40 DIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCCCC1 225757113 KCKWWQAQFBSMQZ-OAHLLOKOSA-N 302.462 4.375 0 40 DIAB COc1ccc2cc(C(=O)COCc3ccccc3)ccc2c1 382704901 RSPVNIJRKAFDKQ-UHFFFAOYSA-N 306.361 4.248 0 40 DIAB Brc1ccc2ncnc(NC3CCCCC3)c2c1 140118 COQRJFLWTCXBCI-UHFFFAOYSA-N 306.207 4.137 0 40 DIAB CCC(=O)N(CC(C)C)c1nc(-c2ccc(OC)cc2)cs1 419004 WHHMCSNQJFJXQF-UHFFFAOYSA-N 318.442 4.218 0 40 DIAB CC(=O)OCCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1726042 GPAXMNGNOCBZMH-NSHDSACASA-N 306.793 4.032 0 40 DIAB C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 2647703 IWWCXZAGAOEOAG-LLVKDONJSA-N 324.207 4.250 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(OC)cc12 3148964 FUPRESGGKITVQE-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccs1 3318766 XIIIXCJVQLXLEV-LBPRGKRZSA-N 317.410 4.057 0 40 DIAB COc1ccc(N[S@](=O)c2ccc(-c3ccccc3)cc2)cc1 5536803 DOXHNDPWVBHLCQ-QHCPKHFHSA-N 323.417 4.497 0 40 DIAB CCOc1ccc(NC(=S)N2c3ccccc3C[C@H]2C)cc1 5559564 WXVWLXPREXKLLL-CYBMUJFWSA-N 312.438 4.233 0 40 DIAB CC(C)c1ccccc1NC(=O)Cn1cc(C=O)c2ccccc21 5945013 KLEFFFGXDAZMCG-UHFFFAOYSA-N 320.392 4.216 0 40 DIAB O=C(Nc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 6376597 GZGZQMASIKAQDS-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)CCC2 6471308 KJDWYRHFMMQEMJ-UHFFFAOYSA-N 319.326 4.375 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)N1CC=C(c2ccccc2)CC1 7989199 NETCPGLTVUTDLX-UHFFFAOYSA-N 316.404 4.026 0 40 DIAB c1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)nc1 8186226 YUEJUSNZEDUZFM-UHFFFAOYSA-N 310.378 4.033 0 40 DIAB CCc1ccc(-c2n[nH]c(SCc3ccccc3F)n2)cc1 8484071 FRHKIAXABGOYNN-UHFFFAOYSA-N 313.401 4.466 0 40 DIAB CCCCC1CCC(C(=O)Nc2noc3ncccc23)CC1 11694950 DSXFKPZDZLLGBZ-UHFFFAOYSA-N 301.390 4.158 0 40 DIAB Cc1ccnc(NC(=O)c2ccccc2Nc2ccccc2)c1 12517073 AYDNCUXVBWLTOZ-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@H]1CC=CCC1 12520601 ZAIFHKAJFAWUQO-AWEZNQCLSA-N 323.421 4.358 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc2ccccc2c1 12926150 GNHSVNSEDFEMRX-HNNXBMFYSA-N 319.404 4.268 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689081 KFNJBDQZKJVAGN-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@H](c2ccc(O)cc2)CC(=O)N3)C1 15085177 CBXGBCJPIFTWIN-HZMBPMFUSA-N 313.422 4.053 0 40 DIAB CCC[C@@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 16047133 BQOPHBYHXKUSBK-WMLDXEAASA-N 321.424 4.115 0 40 DIAB Cc1nc2nc3ccccc3n2c(O)c1Cc1ccc(Cl)cc1 18240742 QMJAYMDEXSVPSS-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB CCN(CC)C[C@@H]1c2ccccc2[C@H](CNc2ccccc2)N1C 19365210 BFTKLTXWDUKHIE-LEWJYISDSA-N 323.484 4.168 0 40 DIAB CC(C)CNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 25527960 GIDFKPNLKRXFRV-KBPBESRZSA-N 316.470 4.342 0 40 DIAB CCc1ccccc1NC(=O)c1cc2cc(OC)ccc2nc1C 25802227 YSEJHDFZKOGHQT-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1)c1ccccc1OC(F)F 27358956 AGVOGAVXKFERDW-CQSZACIVSA-N 305.324 4.169 0 40 DIAB CCC(=O)Nc1ccc([C@H](C)NCc2sccc2C)cc1 30640814 GYTYJCOFHGOCIJ-ZDUSSCGKSA-N 302.443 4.256 0 40 DIAB Cc1nc(NC(=O)CCc2ccco2)sc1-c1ccccc1 31968070 ANLSXYZRGKRVRI-UHFFFAOYSA-N 312.394 4.283 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1 40059893 OKDZNKMFPRLSFW-GFCCVEGCSA-N 305.324 4.087 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccccc1 44844258 FBYFEGOBBLMABP-QZTJIDSGSA-N 315.388 4.251 0 40 DIAB C[C@H](CCc1ccccc1)CC(=O)N1CCC[C@H]1c1ccncc1 58223471 RZHVEMTYAQWHET-XLIONFOSSA-N 322.452 4.404 0 40 DIAB CCCN(C)c1ccc(C(=O)N[C@H](C)c2cccc(F)c2)cc1 58305529 ASDDBDLWFLLCMV-CQSZACIVSA-N 314.404 4.163 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 71624260 BAGDSBRGWXVOOH-ZDUSSCGKSA-N 323.820 4.170 0 40 DIAB Cc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211267 ANETUVXHWIUUTI-GOSISDBHSA-N 310.397 4.254 0 40 DIAB CC(C)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216662 BBQZKWDVLNILBK-GOSISDBHSA-N 301.478 4.397 0 40 DIAB Cc1cc(Cl)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1 72217876 LMZMZJFROQXNNX-INIZCTEOSA-N 314.816 4.411 0 40 DIAB Cc1cc(N(C)Cc2ccccc2)ncc1[C@H](N)c1ccccc1 72223405 OQQGINUPDZVWFP-OAQYLSRUSA-N 317.436 4.075 0 40 DIAB CCOC(=S)SCC(=O)c1ccc(-c2ccccn2)s1 95092977 KNOSTOGHNPBKAD-UHFFFAOYSA-N 323.464 4.047 0 40 DIAB C[C@@](NCc1cnc(Cl)s1)(c1ccccc1)C(F)(F)F 95462587 TXENPBZZZGXYLJ-GFCCVEGCSA-N 320.767 4.364 0 40 DIAB COc1ccc(C(=O)CCc2ccc3ccccc3n2)cc1F 199732398 LYMMPLQAEUICCZ-UHFFFAOYSA-N 309.340 4.198 0 40 DIAB CCCOc1ccc(NC(=O)C(C)(C)OCC)c2ccccc12 225815906 HRVLMTQBKDFIML-UHFFFAOYSA-N 315.413 4.382 0 40 DIAB COc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(C)C 260802928 RLDONGTYUJVAEQ-ZQIUZPCESA-N 301.430 4.045 0 40 DIAB O=C(c1ccc(Br)c(Cl)c1)C(F)(F)Cl 306798021 ZYSYNPIZXKYLBF-UHFFFAOYSA-N 303.917 4.117 0 40 DIAB CC(C)(O)Cc1ccc(N)cc1-c1cccc(C(F)F)c1F 585124257 YNLUANOHPVYXOH-UHFFFAOYSA-N 309.331 4.326 0 40 DIAB Cc1cc(S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1Cl 41259 VEZJPRMEUDKIIN-UHFFFAOYSA-N 315.221 4.443 0 40 DIAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 367083 QXFRVPSPNKYJDB-UHFFFAOYSA-N 323.436 4.327 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)NC1CCCCCCC1 483926 JBIDVSHIZLAAOT-UHFFFAOYSA-N 312.413 4.493 0 40 DIAB O=C(O[C@@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 1641788 IJIHPPHWXPHTRG-LJQANCHMSA-N 322.408 4.056 0 40 DIAB O[C@]1(c2ccccc2)C[C@@H](c2ccccc2)c2ccccc2O1 1670043 UOEOPLWOLUQXHF-PZJWPPBQSA-N 302.373 4.446 0 40 DIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(F)cc1Cl 2514580 KVIIPMYFVUNDRU-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1C(C)C 3538733 HNPUVFYIKWLZLB-UHFFFAOYSA-N 313.441 4.457 0 40 DIAB Cc1ccc(NC(=O)c2cccc(F)c2)c(Br)c1 3603707 RLAGAVNULGFFTB-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccco1 4176266 ZGLPDUXZNOSFQY-UHFFFAOYSA-N 320.373 4.393 0 40 DIAB Cn1ccnc1SC(=O)Nc1ccc(Cl)c(Cl)c1 4663860 OMEDJQZFQJZMGX-UHFFFAOYSA-N 302.186 4.051 0 40 DIAB CSc1ccccc1NC(=O)CSCc1ccccc1 4836594 LNJJXXPBYFGKHE-UHFFFAOYSA-N 303.452 4.280 0 40 DIAB Cc1oc2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c2c1C 5322567 FWURJQHNYJBITB-UHFFFAOYSA-N 320.396 4.452 0 40 DIAB CSc1ccccc1NC(=O)COc1ccc(C)c(C)c1 5443599 YXIPUUCIFOVUPH-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc2ccccc2c1 6416400 URDUBRBMKZDYSH-UHFFFAOYSA-N 323.417 4.129 0 40 DIAB O=C(Nc1ccc2[nH]ncc2c1)Nc1cccc2ccccc12 6449037 WAYPBZSABCVCHS-UHFFFAOYSA-N 302.337 4.360 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3cc(C)no3)cc2)cc1 7007268 NWHDDZOQQIKRBH-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB Cc1ccc(-c2nc3ncccn3c2Nc2ccccc2)cc1 7499038 ULUKCIJQZABCEU-UHFFFAOYSA-N 300.365 4.448 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1ccc2nc(C)sc2c1 7670322 QHNZBBNPXMFZES-JXMROGBWSA-N 324.405 4.265 0 40 DIAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(C)o1 7735667 JMYFWGNYCNRIIG-UHFFFAOYSA-N 313.353 4.190 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 7790268 JBPHZDVKLRIQAR-AWEZNQCLSA-N 319.470 4.183 0 40 DIAB O=C(NOCc1ccccc1)c1cccc(Oc2ccccc2)c1 8096660 KUHQDWZXIFTBAV-UHFFFAOYSA-N 319.360 4.341 0 40 DIAB Cc1ccccc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 8209688 HQWKFRPLRVWMQV-UHFFFAOYSA-N 306.390 4.280 0 40 DIAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O 8602993 GCKMFJBGXUYNAG-IOXPTURASA-N 302.458 4.269 0 40 DIAB biogenic COc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 11556834 NSJFSSIFOHYNMS-AWEZNQCLSA-N 324.424 4.457 0 40 DIAB Cc1cccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)c1 12493108 SKYZALBTKIHECR-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cc1noc(C)c1CN(C)[C@H](C)c1nc2ccccc2s1 12771680 OMZBGBPNEQTOEJ-LLVKDONJSA-N 301.415 4.094 0 40 DIAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NC(C)C)(C4)C2)C3)cc1 12946645 FTYKJOBQOANJJP-AGXSTUJCSA-N 311.469 4.358 0 40 DIAB Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=O)CC(C)(C)C2 16740285 JGRRMARKUYXSAI-UHFFFAOYSA-N 315.344 4.135 0 40 DIAB Cc1ccc(-n2ccnc2S[C@@H]2CCCCCC2=O)c(C)c1 26035552 DBZIAVOXIYKDNZ-QGZVFWFLSA-N 314.454 4.483 0 40 DIAB CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cccs1 36394041 FKDDUMVRTGSNKA-INIZCTEOSA-N 316.401 4.496 0 40 DIAB O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccccc1F 36619736 SASHFOGNHZHHLL-QGZVFWFLSA-N 317.791 4.385 0 40 DIAB COc1cccc(SCc2noc(-c3ccsc3)n2)c1 44148321 BJWGRRIGNDUKDH-UHFFFAOYSA-N 304.396 4.099 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(F)cc1 44900124 CGOJBLDBONATBP-YOEHRIQHSA-N 315.388 4.169 0 40 DIAB Fc1ccc(CNc2nnc(SC3CCCC3)s2)cc1 60346732 SIVCEVPSYMBBMK-UHFFFAOYSA-N 309.435 4.324 0 40 DIAB S=C(NCc1ccc2c(c1)CCC2)Nc1ccc2c(c1)CCC2 64892761 YZKSVDDVWFQHJX-UHFFFAOYSA-N 322.477 4.151 0 40 DIAB O=C(O)c1ccccc1CN1CC[C@@H](c2ccccc2Cl)C1 67834384 AVGPORRCVQNLET-CQSZACIVSA-N 315.800 4.028 0 40 DIAB CCCN(C(=O)Cc1c(C)noc1C)[C@@H](CC)c1ccccc1 71800845 GDYNYLQHJZGMFG-SFHVURJKSA-N 314.429 4.224 0 40 DIAB Cc1cc([C@H]2CCCCN2CC(C)C)cnc1N1CCCC1 72218823 DPAKOYXLGLBLHL-GOSISDBHSA-N 301.478 4.173 0 40 DIAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nccs1)c1cccc(F)c1 72297164 GCNBLAABFYCHKV-IUODEOHRSA-N 318.417 4.140 0 40 DIAB O=C(O)c1cc2ccccc2n1CCOc1ccccc1Cl 83255370 WBDZYSFFVPWTJI-UHFFFAOYSA-N 315.756 4.072 0 40 DIAB in-vitro C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1nc2c(s1)CCC2 95450963 QQUIADPCFWZFLX-NXEZZACHSA-N 308.397 4.322 0 40 DIAB COc1c(C)cc([C@@H](O)c2cccc(Br)c2)cc1C 95730216 UVMAVRJJRWDGRS-HNNXBMFYSA-N 321.214 4.156 0 40 DIAB Cc1cc(C)n(C[C@H](C)CN[C@@H]2CC(C)(C)Cc3occc32)n1 95967319 ZJNQTUBSEBZFSC-CXAGYDPISA-N 315.461 4.032 0 40 DIAB CC(C)CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102120510 SYSBYEYBFKXIOK-UHFFFAOYSA-N 313.426 4.028 0 40 DIAB C[C@H](NC(=O)Nc1ccc(Cl)cc1F)[C@@H]1C[C@@H]2CC[C@@H]1C2 102378153 PYPUEKBHSVPLLO-WGBDABJCSA-N 310.800 4.425 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 113959653 FMRODRRJSMYYSA-RDTXWAMCSA-N 315.388 4.169 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1 140586087 QVVJENQHQZHYFG-AWEZNQCLSA-N 301.817 4.020 0 40 DIAB CCN(CC)C(=O)c1ccc(CN2CCCc3ccccc32)cc1 216387960 KVIHZOREXSVDIT-UHFFFAOYSA-N 322.452 4.121 0 40 DIAB FC(F)(Br)C(F)(F)CCCOc1ccccc1 221299161 DFBXDPGTNKSDPH-UHFFFAOYSA-N 315.104 4.469 0 40 DIAB Cc1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1 223372349 XCUBMZPLLUDCLW-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(Cl)c1 225003902 DAHFBDULUHXMFX-UHFFFAOYSA-N 308.208 4.274 0 40 DIAB CC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225791967 KHVNTPLIUCJYKE-IBGZPJMESA-N 315.413 4.381 0 40 DIAB COC(=O)c1ccc(CCc2ccccc2)n1Cc1ccccc1 226028900 ASKQAXZDXJYTGW-UHFFFAOYSA-N 319.404 4.108 0 40 DIAB CC(C)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257202752 ANGKOQKVCZMWDR-MRXNPFEDSA-N 304.821 4.464 0 40 DIAB Cc1csc(-c2ccc([C@H]3CCCN(C(C)C)C3)nc2)n1 257241773 HZNVHJJKZGQSGX-HNNXBMFYSA-N 301.459 4.101 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCCCc2ccccc21 502684527 PQURBZFTNWFESG-UHFFFAOYSA-N 316.404 4.460 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)Nc1nccs1 1775972038 AELBJPVHMMHLDR-LLVKDONJSA-N 313.492 4.061 0 40 DIAB O=C(Oc1ccccc1)Oc1cc2oc(=O)sc2cc1Cl 62740 DOBZIQMASWIFOK-UHFFFAOYSA-N 322.725 4.086 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl 997319 YTWWZHRNBDGITK-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB COCC/N=c1\cc(-c2ccccc2)oc2cc(C)cc(C)c12 1892331 CXNQPLWVYLWYEX-HEHNFIMWSA-N 307.393 4.264 0 40 DIAB Cc1cccc(OP(N)(=O)Oc2cccc(C)c2C)c1C 2290801 KPJTZJXAANQOFU-UHFFFAOYSA-N 305.314 4.445 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2c(C)cccc2C)cc1 2517587 UUGAPKWPBAFTID-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB O=C(NC1CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2748212 DUGBOGLJMFYDLM-UHFFFAOYSA-N 322.795 4.447 0 40 DIAB Cc1ccc(NC(=O)CC[C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 3846443 FCOGMMQNZJTDOD-YRNRMSPPSA-N 313.441 4.355 0 40 DIAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccccc1F 4691310 FXENCDXNBOLNPB-MDWZMJQESA-N 319.382 4.124 0 40 DIAB O=C(NCCc1ccco1)c1cccc2c1oc1ccccc12 4783937 ZBGXCNWASFWMJU-UHFFFAOYSA-N 305.333 4.152 0 40 DIAB C[C@H]1CCCCN1P(c1ccccc1)N1CCCC[C@H]1C 5328660 IXYQVEWDGLGTQK-QRTHJKPMSA-N 304.418 4.373 0 40 DIAB CC(C)(C)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7053946 HUGBZGCBMWZAGO-BUHFOSPRSA-N 315.438 4.397 0 40 DIAB c1cn(-c2ccc(CNCC34CC5CC(CC(C5)C3)C4)cc2)cn1 7984352 IRUZDLYDSNWHHW-UHFFFAOYSA-N 321.468 4.178 0 40 DIAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1 9157759 YZCNMZPOKNNPPR-GFCCVEGCSA-N 304.340 4.021 0 40 DIAB O=C(Cc1ccccc1Cl)N1CCCSc2ccccc21 14242306 MSTATNGSZKDOBG-UHFFFAOYSA-N 317.841 4.412 0 40 DIAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccccc3F)c2n1 15835235 ZTIWDPRFQXBKHN-CYBMUJFWSA-N 324.355 4.088 0 40 DIAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C 20169389 LXUSKGIXOLRPLI-WTLGNFPFSA-N 318.505 4.240 0 40 DIAB Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 20193552 UDSOYXWIVUDVOU-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB CC(C)(C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 22533884 JPSPAOWVGORDOB-UHFFFAOYSA-N 322.452 4.168 0 40 DIAB O=C(NCc1ccccc1)Nc1ccc2oc(C3CC3)nc2c1 27351537 VSFFWRNJMXIOBD-UHFFFAOYSA-N 307.353 4.027 0 40 DIAB CC(C)c1cc(CN2[C@H](C)COC[C@H]2C)cc(C(C)C)c1O 31648047 CABIFKLIZMZVIX-HUUCEWRRSA-N 305.462 4.248 0 40 DIAB O=C(/C=C/c1ccccc1OC(F)F)NCCC1=CCCCC1 36652184 YULZKRHHHSUJQZ-ZHACJKMWSA-N 321.367 4.308 0 40 DIAB O=C(NCc1ccc(Br)cc1)c1ccc(Cl)cc1 42418622 QAKLFFYRYQHLEN-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1Cl 67341936 RLTFIURSVSOWPK-UHFFFAOYSA-N 312.756 4.126 0 40 DIAB Cc1occc1C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 69491882 SGXHARHSBDBCGI-UHFFFAOYSA-N 311.341 4.014 0 40 DIAB CC(C)(C)c1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 70461298 OPRPEVQNIPYAMY-UHFFFAOYSA-N 318.380 4.373 0 40 DIAB CC(=O)N1CCC[C@H](c2ccc(-c3ccccc3Cl)cn2)C1 72365134 IXIYDASSIGTJRZ-HNNXBMFYSA-N 314.816 4.128 0 40 DIAB Cc1ncsc1C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 95440394 AQPHMWGRANEASF-LLVKDONJSA-N 323.487 4.173 0 40 DIAB Cc1cc(OCc2nnc(-c3ccccc3)n2C)ccc1Cl 95444781 BOAHZFONNZMYQO-UHFFFAOYSA-N 313.788 4.023 0 40 DIAB Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@@H]4CCC[C@H]3C4)c2c1 95502857 OJWDHNNOFWUAHG-CVEARBPZSA-N 308.425 4.175 0 40 DIAB Clc1ccccc1[C@@H]1C=C(c2cccs2)Nc2ncnn21 100834943 NZTGOTNUKXQXND-ZDUSSCGKSA-N 314.801 4.049 0 40 DIAB O=C1N/C(=C/c2nc3ccccc3s2)Sc2ccccc21 102229261 FIYOCXDAYOJWFH-DHDCSXOGSA-N 310.403 4.130 0 40 DIAB CCOP(=O)(OCC)O[C@H](c1ccc(F)cc1)C(F)F 222064047 FQKRJJOWTIARCK-LLVKDONJSA-N 312.224 4.330 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225020071 QMENRYJAAMFFHE-GOSISDBHSA-N 312.409 4.367 0 40 DIAB O=C(CSCc1ccc(Cl)cc1F)NC1CCCCC1 225278574 HOXUXTJFBROEIV-UHFFFAOYSA-N 315.841 4.161 0 40 DIAB CCc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1 225387269 NQPRZBBCYCCGRU-UHFFFAOYSA-N 312.482 4.477 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225686516 HQWSUPFFEAMDRD-GOSISDBHSA-N 307.434 4.234 0 40 DIAB CCc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1 225782075 IHNZXTAPJFKGLV-CQSZACIVSA-N 314.454 4.003 0 40 DIAB CCNc1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1 226283594 MHETVMSUJGBKTJ-UHFFFAOYSA-N 312.369 4.252 0 40 DIAB NC(=O)/C=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 352064151 ZTYAWRTVBJEEJS-RQOWECAXSA-N 316.571 4.405 0 40 DIAB C[C@@H](CCc1n[nH]c2ccccc12)N[C@H]1CCCc2occc21 541154230 IBSRACKSWQIVQD-BBRMVZONSA-N 309.413 4.144 0 40 DIAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(C(F)(F)F)cc1 101622 HHCMKNGNVCTEOH-GXDHUFHOSA-N 317.266 4.050 0 40 DIAB CCOc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 118537 JOOGHWPVFBLZGH-UHFFFAOYSA-N 304.415 4.214 0 40 DIAB Nc1cc(C(F)(F)F)ccc1Sc1ccccc1C(=O)O 346778 NIYWIBJHMDTRHB-UHFFFAOYSA-N 313.300 4.137 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 5559918 RSDFFDMBLRLCOO-UHFFFAOYSA-N 301.773 4.019 0 40 DIAB Oc1ccc(CSc2nc3ccccc3o2)c2cccnc12 5949161 PRKZHAXVRWAXAG-UHFFFAOYSA-N 308.362 4.374 0 40 DIAB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1F 6059166 YTLDTAHIMMGAQP-UHFFFAOYSA-N 313.353 4.306 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12653162 WLQOPAUMPGYQCV-SEFVSHJNSA-N 323.477 4.156 0 40 DIAB O=C(Nc1cccc2cccnc12)c1cc(Cl)ccc1F 14018679 UYJFADNZZDJBCY-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB Cc1c(Cl)c(CSc2nncs2)nc2ccccc12 14115128 MEEKPXHHAORJGU-UHFFFAOYSA-N 307.831 4.340 0 40 DIAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccc2)on1 14200607 SKVQGQIEGHWHAL-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CC(C)NCC(C)(C)N[C@@H](Cc1ccccc1)c1ccccc1 19365960 ZLCYZVOOTXAXCK-FQEVSTJZSA-N 310.485 4.337 0 40 DIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 20490338 VBCDWYNUVUSLHX-HXUWFJFHSA-N 322.452 4.164 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C1 24987010 OEMSPEZQQRCNLN-KBPBESRZSA-N 319.404 4.016 0 40 DIAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2)c(C)s1 28356223 IZTFLFJPXOQRNR-QWHCGFSZSA-N 302.443 4.486 0 40 DIAB O=C(CCc1ccccc1)Nc1cccc(CN2CCCCC2)c1 31621140 BHSVZRCNFZVZNS-UHFFFAOYSA-N 322.452 4.244 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1nc2ccccc2s1 36709757 IUAGYYVENJFHQP-AWEZNQCLSA-N 308.406 4.104 0 40 DIAB CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCc2ccccc21 40097589 ACNPGIBJVNHZAW-MRXNPFEDSA-N 302.324 4.116 0 40 DIAB O=C(c1ccc(Cl)cc1F)N1CCCc2ccc(F)cc21 40117268 YBIGBJMICQPISZ-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc(OC(F)F)c1 45950681 GRZKXSYWGIJRQC-JTQLQIEISA-N 324.302 4.310 0 40 DIAB Cc1csc(SCc2nc3ccccc3n2C(F)F)n1 48643499 ULDXEVMNXRXSBQ-UHFFFAOYSA-N 311.382 4.489 0 40 DIAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)no1 53248300 CTLXZAMZUXIDAG-QMMMGPOBSA-N 314.172 4.173 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccccc1SCC 55703744 MFRUWKYHUUYVHQ-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB Cc1cc(Br)cc(C)c1NC(=O)Cc1ccccc1 59476026 ZOZCOADZNYBJRL-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB c1cc2c(cc1-c1csc(NCC3CCC3)n1)OCCCO2 63630337 JJWKSMJKNVNICV-UHFFFAOYSA-N 316.426 4.183 0 40 DIAB Cc1ccc(NC(=O)N(C2CC2)[C@H](C)c2cccnc2)cc1C 71921438 WABSWFNLNWMNJW-OAHLLOKOSA-N 309.413 4.456 0 40 DIAB CCCCN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214324 YJHDZVGZRJEOCJ-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB CC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@@H]1c1ccccc1 80450305 XRSXSKQBQSEBGC-PBHICJAKSA-N 324.424 4.208 0 40 DIAB Fc1ccc(-n2cc(CNc3ccc(Cl)cc3)cn2)cc1 89793156 ZGGYRJSTFKHURF-UHFFFAOYSA-N 301.752 4.277 0 40 DIAB C[C@@H](Cc1ccccc1Br)N[C@H](C)c1cccnc1 90400559 UANMGTAHITXXOQ-QWHCGFSZSA-N 319.246 4.126 0 40 DIAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1n[nH]c2ccccc12 95349265 KXPPUZFSTZLVKU-UHFFFAOYSA-N 309.413 4.108 0 40 DIAB Cc1cc(Cl)cc2nc(SCc3nnc(C4CC4)o3)oc12 96409189 RZDXLFDSWLBYCG-UHFFFAOYSA-N 321.789 4.342 0 40 DIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1Cl 96586329 TZPVFFRXAAEDBS-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2snnc2c1 107897126 HCJLSYRIWHXZFX-UHFFFAOYSA-N 322.503 4.193 0 40 DIAB O=C(c1ccncc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206879011 JSZGODVIOFYLQT-MRXNPFEDSA-N 314.816 4.145 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1OC 224612682 NLBLABRCJOYXLA-JKSUJKDBSA-N 321.461 4.185 0 40 DIAB Brc1ccc2c(c1)CCCN2Cc1ccccc1 256053879 TZZDCNWUFOLVFP-UHFFFAOYSA-N 302.215 4.402 0 40 DIAB CC[C@@H](C)CNC(=O)CCCOc1ccc(Cl)cc1Cl 408907973 CXJOPAQTUSFUII-LLVKDONJSA-N 318.244 4.315 0 40 DIAB C[C@H]1Cc2ccccc2N(C(=O)c2cccc(-n3cccc3)c2)C1 591279805 CJNFNKFPXMFCGN-INIZCTEOSA-N 316.404 4.316 0 40 DIAB COc1cccc2c(Nc3ccc4c(c3)OCCO4)cc(C)nc12 142073 YFSUVKNRVAXITR-UHFFFAOYSA-N 322.364 4.067 0 40 DIAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc2ccccc12 315793 SYNSWMIOHVBZPT-PDGQHHTCSA-N 317.319 4.323 0 40 DIAB COc1cccc(-c2nnc(SCc3ccc(F)cc3)o2)c1 417706 FHSGDADYRNYLAM-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2c(C)cccc2C)c1 505944 VXGAMOXSSNIDBE-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c2c1CCCC2 521114 CGAFUKHGBRRBDA-UHFFFAOYSA-N 322.433 4.297 0 40 DIAB CC(=O)O[C@@H](c1cccc(Cl)c1)C(Cl)(Cl)Cl 1689863 PVPSWSJMTSJBKM-VIFPVBQESA-N 301.984 4.314 0 40 DIAB CCc1ccc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)cc1 2740874 QAXYWVVGPAPTMA-UHFFFAOYSA-N 301.340 4.444 0 40 DIAB CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 3344696 KJBNFSOBKCEDIY-OGWOLHLISA-N 301.430 4.030 0 40 DIAB Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)c1 4076027 GMMAFLMNTBEKDK-BQYQJAHWSA-N 324.405 4.287 0 40 DIAB CC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353817 OWAYVFZMJRXNLE-UHFFFAOYSA-N 322.364 4.260 0 40 DIAB Clc1ccc(SCCN2CCc3ccccc3C2)cc1 4472949 UXFVOZGUWDNLPF-UHFFFAOYSA-N 303.858 4.490 0 40 DIAB Cc1noc(C)c1COC(=O)Cc1ccc(-c2ccccc2)cc1 5471930 PZVQILWKTUXDNU-UHFFFAOYSA-N 321.376 4.244 0 40 DIAB Cc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 5552742 PWILHSWDCOATJC-RPGBBNPCSA-N 311.362 4.385 0 40 DIAB C[C@H]1CCc2c(sc3nc(/C=C/c4ccccc4)[nH]c(=O)c23)C1 5881389 WNRQIDFIHGAIDK-OANVXVOSSA-N 322.433 4.280 0 40 DIAB CNc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1 6044398 QHOKRYUWHHKKFG-UHFFFAOYSA-N 320.400 4.017 0 40 DIAB Cc1sc(NC2CC2)nc1-c1ccc(Br)cc1 7274640 YVSGSUULRFMPSZ-UHFFFAOYSA-N 309.232 4.455 0 40 DIAB Oc1cccc2c(NC(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)cccc12 7786939 NWTJRMZDIJZYEF-OZVIIMIRSA-N 312.438 4.020 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F 8268523 NIURSQSMXKJRPS-JQWIXIFHSA-N 300.324 4.406 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1 8480438 CEEVPLGYBGROKL-CQSZACIVSA-N 317.816 4.041 0 40 DIAB Cc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1C 8583040 OGISDQLSVSAMOL-UHFFFAOYSA-N 321.428 4.177 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 11052321 KMQRAOBQYPVPKV-CQSZACIVSA-N 323.392 4.011 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccccc2Cl)cc1 13932631 RPKYURIYWGMZMY-NSHDSACASA-N 320.845 4.396 0 40 DIAB CCOc1ccc2oc(C(=O)N3CCC[C@H](C)C3)c(C)c2c1 14166405 ILBHGCVEHWVHSO-LBPRGKRZSA-N 301.386 4.012 0 40 DIAB Cc1cccc(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)c1 15053091 ZPBOJWOHGAGSMW-QFULKBQASA-N 312.369 4.190 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1cccc2cccnc12 21552284 VEKHRORSFUHNKJ-UHFFFAOYSA-N 320.392 4.205 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1 22530467 HSCUBOFKQLOXKH-RDTXWAMCSA-N 315.388 4.169 0 40 DIAB Cc1ccc(-n2ncc(C(=O)Nc3cccc(C)c3C)c2C)cc1 29507959 IXRLMQCQOCDADM-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 30848958 ATPZTJMTOXFIRF-CVEARBPZSA-N 313.466 4.494 0 40 DIAB CC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 40095199 ZMUPZQVBIYEBCY-LLVKDONJSA-N 311.223 4.103 0 40 DIAB Cc1nc(CSc2nc(/C=C/c3ccccc3)n[nH]2)cs1 65551987 SFUMEDBCLQAMRI-BQYQJAHWSA-N 314.439 4.032 0 40 DIAB CSc1cccc(NC(=S)Nc2ccc(N(C)C)cc2)c1 71761298 CDVKDZXHGGXXAA-UHFFFAOYSA-N 317.483 4.283 0 40 DIAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccco1 72401545 VHXUDQWSPGHSTQ-UHFFFAOYSA-N 319.320 4.201 0 40 DIAB Clc1nc2ccccc2n1-c1cccc(Br)c1 95915570 HWWZLNAGZPHMTB-UHFFFAOYSA-N 307.578 4.441 0 40 DIAB CCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(C)c(C)c1 96025075 MBCNNOFLGFWTTQ-UHFFFAOYSA-N 322.412 4.005 0 40 DIAB CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)c1ccccc1 96954046 QBGLFOAOTXJMSQ-KRWDZBQOSA-N 310.441 4.407 0 40 DIAB Cc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223663851 LPMOWLJLDVMZEK-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 224066101 YPCBBXGETMIOKS-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB Cc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2N)cc1 225178790 QPDVBMRYDIMKMP-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1C 225788597 SBOIRZJVPRPZEL-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCC(CC)[C@H](NCc1nc(C2CC2)nn1C)c1cccs1 570714552 OZZRKKVVWUVJRQ-INIZCTEOSA-N 318.490 4.021 0 40 DIAB Clc1cnc(NC[C@H](c2ccsc2)c2ccco2)nc1 1775970125 CIRILYBMFQCGBL-GFCCVEGCSA-N 305.790 4.029 0 40 DIAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1888853551 ALICKGPXMVRKCF-PMACEKPBSA-N 310.441 4.108 0 40 DIAB CN(C(=O)C1CCCCC1)c1nc(-c2ccc(F)cc2)cs1 413058 OVOVRBJGNCPUOD-UHFFFAOYSA-N 318.417 4.492 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc(CN2CCCCC2)cc1 514988 RBCCVOQPSIGCGO-SDNWHVSQSA-N 320.436 4.324 0 40 DIAB COc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1 1036571 XTGTWCLXAMUWNL-UHFFFAOYSA-N 313.407 4.195 0 40 DIAB COc1cccc(-c2nn3cc(-c4ccccc4)nc3s2)c1 1414397 RYVRSEPRRFOWPQ-UHFFFAOYSA-N 307.378 4.133 0 40 DIAB COc1ccc(Nc2nc(Cl)nc3ccccc23)c(OC)c1 3274120 DQZUXAMIONYCIA-UHFFFAOYSA-N 315.760 4.044 0 40 DIAB CC(C)(C)c1ccc(OCCCC(=O)OCc2ccco2)cc1 3411546 UTKGQZGTHFYHEE-UHFFFAOYSA-N 316.397 4.480 0 40 DIAB CCCn1c(C)c(C(=O)OCc2ccccc2)c2cc(O)ccc21 3639352 JCXDKIHRMOSFOL-UHFFFAOYSA-N 323.392 4.422 0 40 DIAB CCC(=O)O[C@@]1(c2ccccc2)C[C@@H](C(C)(C)C)CN(C)[C@@H]1C 4594141 HXMYADUYVHAIOZ-MDYRTPRTSA-N 317.473 4.221 0 40 DIAB COCCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 5477576 PAEJXBXBNGUXEV-UHFFFAOYSA-N 314.454 4.195 0 40 DIAB O=C(NCc1ccco1)/C(=C/c1cccs1)c1ccccc1 5771960 LGHYYPULOHQBAM-SFQUDFHCSA-N 309.390 4.198 0 40 DIAB COc1ccc(CCNCc2cc(C)n(CC(C)C)c2C)cc1 6650962 BKJOLDXQYJIQJA-UHFFFAOYSA-N 314.473 4.102 0 40 DIAB O=C(Nc1noc2ccccc12)c1cccc(Cl)c1Cl 6810193 QVUWTGUMLGWBHM-UHFFFAOYSA-N 307.136 4.387 0 40 DIAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc12 7043153 QJKKSFDPFVMOBS-JLTOFOAXSA-N 318.420 4.406 0 40 DIAB C[C@@H](SCC(=O)Nc1c(F)cccc1F)c1ccccc1 7211442 IZEAYXHERVASMF-LLVKDONJSA-N 307.365 4.398 0 40 DIAB C[C@H](SC1CCCC1)C(=O)Nc1ncc(Cl)cc1Cl 8206880 HGBBPNYWEGYQOH-QMMMGPOBSA-N 319.257 4.391 0 40 DIAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1 8329153 QDMODULBVXFBSN-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB CC1CCC(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 8341107 HGZZUBXPCNHMRH-UHFFFAOYSA-N 323.440 4.058 0 40 DIAB Clc1ccccc1-c1nnc(SCc2cccnc2)o1 12139711 QJDQCBPAYVQNRB-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2s1 12587402 QHGRAOZSRLWGFT-TXEJJXNPSA-N 320.483 4.178 0 40 DIAB Cc1cc(C(=O)NCCSc2ccccc2)c(C)n1C(C)C 12844887 UTAYTXWBGLRBKB-UHFFFAOYSA-N 316.470 4.208 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)c1csc(-c2cccs2)n1 12919903 RCMBLAJZFAWIKB-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(Br)cc1 17055922 OCINFMUKTHNZGE-YHDXHSTISA-N 322.246 4.252 0 40 DIAB Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1C(=O)O 18195813 DUSHOWJQWJMRKV-UHFFFAOYSA-N 323.392 4.144 0 40 DIAB Cn1ccc([C@H]2CCCCCN2Cc2c(F)cccc2Cl)n1 19291047 FTLHJZMIMWZYGQ-QGZVFWFLSA-N 321.827 4.330 0 40 DIAB COc1cc(CN[C@@H](C)c2cccc(Cl)c2)cc(OC)c1 20016094 GVWGXIVDLBXQII-LBPRGKRZSA-N 305.805 4.208 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCc2ccccc2C1 20488096 BHPAMPSYZLPGIB-MRXNPFEDSA-N 323.436 4.162 0 40 DIAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2)CC3=O)cc1 20632974 UAGBZHVGCDMDFW-KRWDZBQOSA-N 316.404 4.402 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc(-n3cccn3)cc2)c(C)c1 21796355 YTNIOVIBRLUAGG-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Cc1cc(NC(=O)CCSCc2ccc(C(C)C)cc2)no1 24835159 SQYBPOJHYWRDKY-UHFFFAOYSA-N 318.442 4.368 0 40 DIAB Cc1cc(C)n(-c2cccc(NC(=O)CCc3ccccc3)c2)n1 40089737 PTPRSQIKILFZJI-UHFFFAOYSA-N 319.408 4.060 0 40 DIAB CCCCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1 62715082 PCVQHFORJDVAQN-AWNIVKPZSA-N 311.381 4.223 0 40 DIAB O=[S@@](Cc1ccc(F)cc1)Cc1csc(C2CCCC2)n1 69818043 ULEQWSVAFOIACV-OAQYLSRUSA-N 323.458 4.389 0 40 DIAB CCc1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 71861493 CVOLNRNFLJOWBJ-UHFFFAOYSA-N 319.404 4.097 0 40 DIAB CCc1cccc(NC(=O)Nc2cc(-c3nnco3)ccc2C)c1 71915058 AAAIJMSFUMFKBL-UHFFFAOYSA-N 322.368 4.251 0 40 DIAB O[C@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 72225412 MHBSGHYUTPKNHG-LJQANCHMSA-N 307.418 4.456 0 40 DIAB CC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1 72295647 OGEYYAWOJTXNLI-AAEUAGOBSA-N 319.430 4.012 0 40 DIAB Cc1ccc2c(ccn2CCC(=O)Nc2ccc3[nH]ccc3c2)c1 72324658 MVEXWDDQOKWHOV-UHFFFAOYSA-N 317.392 4.460 0 40 DIAB biogenic CCCC[C@@H](CC)CCNC1CCN(C(=O)c2ccoc2)CC1 89953323 CVDKEVGYQIJRAG-MRXNPFEDSA-N 320.477 4.080 0 40 DIAB CS[C@H](C)CCC(=O)OCc1cc2ccccc2nc1Cl 95459577 CHNGKKMTSUQKKX-LLVKDONJSA-N 323.845 4.463 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1 225364415 QEHVWCOTBYZTHW-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCCC1 225710399 QBXPYANTHCURNY-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB CCn1c(SCc2csc(C)c2)nnc1-c1cccnc1 585119167 UYVIESIBMNNKGP-UHFFFAOYSA-N 316.455 4.022 0 40 DIAB Cc1cc(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 278233 NZTULLANRUVUNR-UHFFFAOYSA-N 300.741 4.334 0 40 DIAB Oc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 411603 XXCBTIPUMUXZSV-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB CCc1cc(=O)oc2cc(C)cc(OCc3cccc(OC)c3)c12 488524 PDEMCMNMUWWULC-UHFFFAOYSA-N 324.376 4.251 0 40 DIAB biogenic O=C(CSc1ccccc1)Nc1nc2ccccc2s1 574069 FKJKXJFDLCILPH-UHFFFAOYSA-N 300.408 4.027 0 40 DIAB Cc1ccc2c(-c3nnnn3-c3ccc(Cl)cc3)c[nH]c2c1C 982047 HOYXIDNSNPLEGH-UHFFFAOYSA-N 323.787 4.081 0 40 DIAB CC(C)[C@H](CCNC(=O)c1cccs1)[C@@H]1CCOC(C)(C)C1 2098620 MFCOUHMZEYYAKV-CABCVRRESA-N 323.502 4.345 0 40 DIAB biogenic O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCCC1 2515579 PGJWXBPTXOJGPL-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCCC1 4072165 HEOCDHPJAKFEQM-UHFFFAOYSA-N 321.833 4.377 0 40 DIAB CCOc1ncccc1C(=O)Nc1cccc(Cl)c1Cl 4950427 KXXOEYSCALKEAQ-UHFFFAOYSA-N 311.168 4.039 0 40 DIAB CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 5378488 OLMOWMFEPWSZNB-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB COc1cc(C)c(NC(=O)C[C@@H](C)c2ccccc2)cc1OC 6258869 ZHTQMCLHMDOKJC-CYBMUJFWSA-N 313.397 4.145 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 8492798 FEKIGIHWGJCUHH-CQSZACIVSA-N 307.752 4.275 0 40 DIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3)ccc21 9137290 ZFFHENTWCBTQFZ-UHFFFAOYSA-N 322.408 4.018 0 40 DIAB CCCCCC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 9483499 QGQNILBSICSYPZ-ZDUSSCGKSA-N 302.418 4.265 0 40 DIAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Cc1ccccc1 10157722 TXJZXACIZLEYSR-UHFFFAOYSA-N 321.420 4.466 0 40 DIAB Cc1c(O)ccc2c(CN(C)[C@@H](C)c3ccccc3)cc(=O)oc12 12979311 OCUVKVIVKKZXSB-AWEZNQCLSA-N 323.392 4.000 0 40 DIAB O=C(NCc1cccs1)c1ccc2[nH]c3c(c2c1)CCCC3 13005929 RIIDSAUODWSMSK-UHFFFAOYSA-N 310.422 4.038 0 40 DIAB Cc1cnc(NC(=O)c2ccc(C3SCCS3)cc2)s1 14662277 KQEDKDXIRHKZHU-UHFFFAOYSA-N 322.480 4.182 0 40 DIAB Cc1ncccc1C(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19582988 JFOLOAGRAKOEPF-FYQPLNBISA-N 320.436 4.092 0 40 DIAB COc1ccccc1[C@H]1SCC(=O)N1c1cc(C)cc(C)c1 19927239 GTGKGDPHZCPHOM-GOSISDBHSA-N 313.422 4.091 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4cccc(C)c4)c3C2)cc1 20632800 DVANYKMNCGQSQP-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)cc1 24664700 MUHGUIDQHCQBFR-KPKJPENVSA-N 315.800 4.020 0 40 DIAB C[n+]1c(/C=C/c2coc3ccccc3c2=O)sc2ccccc21 28294704 AHBDATNRMRLBMJ-ZHACJKMWSA-N 320.393 4.003 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC)cc1 31094990 XNTBFSVAZFTFRS-OAHLLOKOSA-N 316.426 4.298 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2F)on1 40087703 MJXMBOKOEPEKLB-LBPRGKRZSA-N 322.339 4.072 0 40 DIAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(C)C 44885089 ASHPEIGUAUVFKF-MRXNPFEDSA-N 311.425 4.202 0 40 DIAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F 58304695 JDMQJDOEGMABKA-OAQYLSRUSA-N 316.319 4.293 0 40 DIAB CCc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1 59472446 QLQZDNSRTZERNM-UHFFFAOYSA-N 306.365 4.108 0 40 DIAB CCC[C@@H]1CCCN(C(=O)c2nc(OCC)ccc2Cl)CC1 61296169 MJFANIVXRXKGRO-CYBMUJFWSA-N 324.852 4.176 0 40 DIAB COc1cccc(NC(=O)NCc2cccc3ccccc23)c1 63776828 RKPGYPRRHMSDBM-UHFFFAOYSA-N 306.365 4.170 0 40 DIAB FC(F)(F)c1cccc(Oc2ncc(Br)cn2)c1 67119737 XXAHBNITIXGYKP-UHFFFAOYSA-N 319.080 4.050 0 40 DIAB C[C@H](Nc1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207666 BAPREOKBLLXDJF-HOCLYGCPSA-N 304.434 4.277 0 40 DIAB CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357524 XLBYJDVNOCGMRG-KRWDZBQOSA-N 320.358 4.458 0 40 DIAB Cc1ccc(C)c(C[S@](=O)Cc2csc(C(C)C)n2)c1 78394554 OJSSWBRHRFHLBN-HXUWFJFHSA-N 307.484 4.332 0 40 DIAB Cc1nc(CNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)oc1C 79018191 OLOBZJGMNQXPDV-MRXNPFEDSA-N 320.820 4.001 0 40 DIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1cccc2[nH]ccc12 84325610 TVKSDBYWURGCSD-UHFFFAOYSA-N 322.412 4.249 0 40 DIAB O=[S@@](Cc1ncc(-c2ccccc2)s1)CC1CCCC1 95462872 TXBAIUITWVCIIB-FQEVSTJZSA-N 305.468 4.249 0 40 DIAB Cc1cc(Cl)ccc1[C@H](O)c1cccc(Br)c1 95730195 QIDAEWVGOGVRNM-CQSZACIVSA-N 311.606 4.493 0 40 DIAB Cc1cc2ncn(-c3cccc(Br)c3)c2cc1C 95915569 DTFLLSWWSXFMNF-UHFFFAOYSA-N 301.187 4.405 0 40 DIAB CC(C)c1ocnc1C(=O)Nc1cc(C(F)(F)F)ccc1F 95956691 LHPDUTIIQLNDDO-UHFFFAOYSA-N 316.254 4.208 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(CO)[C@@H](CC[C@@H]12)C3 100060810 XEQHVCXFKPCQNM-XZFDSJMBSA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 102736130 IZRHPMPVKKSEMF-SQFISAMPSA-N 314.388 4.081 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 102935293 OULKJLLVMHCPLP-UTUOFQBUSA-N 323.820 4.122 0 40 DIAB O[C@H](CN1CCC[C@@H]1c1ccccc1)c1ccccc1Cl 106074771 OZDUOFPLUCZIBS-QZTJIDSGSA-N 301.817 4.211 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 160633764 NNWMTLRHAZSSRP-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222601965 VGMOUHKYQMIKNL-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB O=C(O)[C@H](Cc1ccccc1Cl)Oc1cccc(Cl)c1 225055926 VOIPJIGQPRRZOQ-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB Cc1ccncc1CN1CCc2c(sc3ccc(F)cc23)C1 1772570664 ATNGVPCHSCNOMP-UHFFFAOYSA-N 312.413 4.302 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 175168 WUJMHXOCNPCCRH-SECBINFHSA-N 306.818 4.174 0 40 DIAB Cc1cccc(-n2ncc3c(Nc4ccccc4C)ncnc32)c1 551160 ZZFYZAATFVPJHW-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1 1011374 ZAHGPYDHKRVXMS-MDWZMJQESA-N 319.382 4.124 0 40 DIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)cc1 1425994 ZJPVJLAPGPPXRE-UHFFFAOYSA-N 313.328 4.120 0 40 DIAB Cc1ccc(C2=C[C@H](c3ccccc3Cl)N3N=NNC3=N2)cc1 1826967 XRYVXIKZEMMXSN-MRXNPFEDSA-N 323.787 4.288 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2cc(C)ccc2C)c1 2517534 RDYSLCVJMZHUAS-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1ccc2c(c1)Cc1c(S)nc(-c3cccc(O)c3)nc1O2 2716042 KKJDNFLIHIFQKX-UHFFFAOYSA-N 322.389 4.143 0 40 DIAB CCc1ccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 2795380 WMZMAVOWRNHEMX-UHFFFAOYSA-N 321.323 4.111 0 40 DIAB C[C@H](Nc1ccccc1-c1ccccc1)C(=O)N1CCC[C@@H](C)C1 3435370 FAGNHOOULOGNLN-SJORKVTESA-N 322.452 4.413 0 40 DIAB Clc1ccc(CSc2nnc3ccccn23)cc1Cl 4192906 QTXSKPSZMSWSQT-UHFFFAOYSA-N 310.209 4.328 0 40 DIAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 4656407 BZZPEIJLOJYSQW-JTQLQIEISA-N 322.177 4.079 0 40 DIAB CCc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1 4678464 AEUDGHHZUTXRIK-UHFFFAOYSA-N 321.424 4.270 0 40 DIAB CN1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 4744326 CMARNPIDSNAMJM-MSOLQXFVSA-N 301.817 4.150 0 40 DIAB in-man Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Cl)cc3)c2c1 5792876 RPLFVFQWGPWBTR-UHFFFAOYSA-N 323.787 4.081 0 40 DIAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC1(Cl)Cl 7344708 BQQBKLLESZFEFP-CQSZACIVSA-N 320.219 4.410 0 40 DIAB C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 7794247 YWAQPCOCMDBVJI-GFCCVEGCSA-N 307.315 4.239 0 40 DIAB C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 8199593 MVAKTKIXOXJJAM-LBPRGKRZSA-N 313.788 4.241 0 40 DIAB O=C(NCCCSc1ccccc1)Nc1ccccc1F 9218349 RTKMORZUBJBVPG-UHFFFAOYSA-N 304.390 4.130 0 40 DIAB CCCCn1nc(NC(=O)CCC)c2cc3ccc(C)cc3nc21 9411265 SXLWCXGFNJQUDD-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB Cc1ccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 9711030 HKNWYGRSELNIQT-CQSZACIVSA-N 308.381 4.302 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1ccccc1 9895583 WXUMEIAFWFFHFM-INIZCTEOSA-N 308.406 4.274 0 40 DIAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3ccccc3)n2)cc1 9939302 DHTDTOXVIWXFRN-UHFFFAOYSA-N 323.421 4.114 0 40 DIAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCc2ccccc21 12922819 PBAJTQZWNURHBZ-HNNXBMFYSA-N 322.433 4.033 0 40 DIAB Cc1ccc2c(CC(=O)N[C@H]3CCc4ccccc43)coc2c1C 14372692 KNUDVZQCNIJSAY-IBGZPJMESA-N 319.404 4.396 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 14737895 PMGNLFIRLNUUSN-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB COc1ccccc1NC(=O)N(C)Cc1ccc(Cl)s1 18179822 VYQVTJNABNRGMA-UHFFFAOYSA-N 310.806 4.074 0 40 DIAB COc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)c(OC)c1 22695536 FREQRPOEBRBHAU-UHFFFAOYSA-N 316.740 4.334 0 40 DIAB CCN[C@@H](C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1 23425268 AAUMWNSHXIIZSU-LJQANCHMSA-N 306.409 4.264 0 40 DIAB CCOc1ccccc1-c1csc(NC(=O)CC(C)C)n1 28232513 OHAYAXLAEPBQLI-UHFFFAOYSA-N 304.415 4.193 0 40 DIAB O[C@@H](c1ccccc1)[C@@H](NCCc1ccccc1)c1ccccc1 31962127 SLMTURVZZPYFOH-VXKWHMMOSA-N 317.432 4.294 0 40 DIAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 35903279 ZPSMCWBCXWNNIV-LBPRGKRZSA-N 305.780 4.289 0 40 DIAB O=C(NCc1cccc(O)c1)Nc1cccc(Cl)c1Cl 49255262 OSKSATJWDXSQMX-UHFFFAOYSA-N 311.168 4.021 0 40 DIAB CSc1sc(NC(=O)c2ccc(F)cc2Cl)nc1C 58439305 KQXNKQKBDMXURO-UHFFFAOYSA-N 316.810 4.218 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(OC)cc(C)cc23)c1 64874668 RQTJEMKVHJCHFY-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB CCc1ccc(CCOc2ccc(Br)cc2)nc1 67665307 DOZJKXJBAFQCPO-UHFFFAOYSA-N 306.203 4.028 0 40 DIAB in-vitro COc1ccccc1NC(=S)Nc1cccc(Cl)c1F 71326174 NAAUSEHKOBCTJK-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CCC[C@@H](N[C@@H]1CCCN(c2ccccc2)C1)c1ccccn1 95980741 KRUHQHKDTUHBQG-YLJYHZDGSA-N 309.457 4.181 0 40 DIAB CC(=O)c1ccc2ccccc2c1OC[C@H](O)c1ccccc1 97139500 FADQKZRQWFGTSF-IBGZPJMESA-N 306.361 4.155 0 40 DIAB Cc1nc(C2CC2)ncc1-c1nnc(-c2ccccc2Cl)o1 216609322 OYNLTPQMDPYRLX-UHFFFAOYSA-N 312.760 4.033 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)c(C)c1 225394933 POYMCWNBNGSAKC-KRWDZBQOSA-N 315.388 4.332 0 40 DIAB C[C@@H](O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 226273109 MWDWJWYLUKFIOF-SECBINFHSA-N 310.180 4.299 0 40 DIAB CCc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260766435 JZZFSPWCMXTJIL-JEBQAFNWSA-N 323.465 4.233 0 40 DIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C)c1 408596183 PYNDJMLEVLTLSP-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@@H](CC2CC2)C1 514625647 IHWNWQYSIVUUKP-LBPRGKRZSA-N 302.805 4.084 0 40 DIAB CC(C)Sc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 521394000 UEWZBGHTSDQRSC-UHFFFAOYSA-N 315.394 4.138 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1 281551 IMIGGDMARNWAEW-LBPRGKRZSA-N 305.830 4.137 0 40 DIAB CCSc1nnc(-c2cccs2)n1-c1ccccc1OC 2618447 GZOQIYLVQAEKLX-UHFFFAOYSA-N 317.439 4.116 0 40 DIAB CSc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 2632369 SRWHIXYPWVPPPP-UHFFFAOYSA-N 313.209 4.363 0 40 DIAB CC(C)c1ccccc1NC(=O)COc1ccccc1Cl 3602925 LWZPMXGYJITFOV-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB O=C(c1cccc(Cl)c1)N1CCS[C@H]1c1ccc(F)cc1 4929234 ZWNJJTUTHAITBI-INIZCTEOSA-N 321.804 4.367 0 40 DIAB Cc1csc(SCc2nc(-c3ccccc3Cl)no2)n1 7180597 LQENBWIGUSXJRY-UHFFFAOYSA-N 323.830 4.447 0 40 DIAB CC1(C)Cc2cccc(OCc3nnc(-c4ccccc4)o3)c2O1 7777420 AKXAEAHYQAOWHO-UHFFFAOYSA-N 322.364 4.029 0 40 DIAB CN(Cc1ccsc1)C(=O)Nc1nc2ccccc2s1 9977083 VJXWZTSBOOWRHW-UHFFFAOYSA-N 303.412 4.022 0 40 DIAB CSc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 10542392 GQDQEPLGRCTAPF-UHFFFAOYSA-N 319.857 4.425 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)c(Cl)c1 16471667 NOWDPTSLQZPHTP-HNNXBMFYSA-N 306.192 4.411 0 40 DIAB Cc1nc(NC(=O)c2cc(C3CC3)nc3ccccc23)sc1C 20722323 SCVZMJHRCGEIHU-UHFFFAOYSA-N 323.421 4.438 0 40 DIAB Fc1ccccc1-c1c2c(nc3ccc(Cl)cc13)CCNC2 24632317 ZUFNUXNRGNOBRX-UHFFFAOYSA-N 312.775 4.340 0 40 DIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc[nH]c1=S 32830417 NXFVDGHPUKYCCX-UHFFFAOYSA-N 311.366 4.015 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 40095563 GWFZAECCVSSJSI-HUUCEWRRSA-N 302.418 4.129 0 40 DIAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F 40144944 CBVKSPBZYIRILM-JTQLQIEISA-N 316.763 4.451 0 40 DIAB CN(Cn1nc(-c2cccs2)[nH]c1=S)C1CCCCCC1 48310548 BGKVUIHIYHYSCC-UHFFFAOYSA-N 322.503 4.281 0 40 DIAB c1ccc(-n2ccc(CN3CCC[C@H]3c3ccsc3)n2)cc1 58162872 JIUYFLNNCJJZHJ-SFHVURJKSA-N 309.438 4.271 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 59351216 NGJPLVPRZYDFNW-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1C[C@H]1c1ccco1 70014790 CDAFCLNMLYKGOO-ZJUUUORDSA-N 316.407 4.207 0 40 DIAB Cc1cc(Nc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223311 ILPNEYVDCAPCPQ-UHFFFAOYSA-N 313.401 4.158 0 40 DIAB Cc1csc([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72232488 ZPLSPFNDIOOGEW-INIZCTEOSA-N 314.454 4.138 0 40 DIAB CCC[C@H](NC(=O)c1csc(C)n1)c1ccc(F)cc1F 79102253 BCRNAOBWSVCERD-ZDUSSCGKSA-N 310.369 4.001 0 40 DIAB C[C@@H]1CCc2ccccc2[C@H]1Nc1nccc(C(F)(F)F)n1 95447239 LGWIBPBCQNGZPC-YGRLFVJLSA-N 307.319 4.231 0 40 DIAB Cc1cc(Cl)ccc1[C@H](O)c1ccccc1Br 95730064 LMWMQOIMCSYIJH-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB Cc1noc(C)c1CN[C@H](C)c1ccc(-c2cccnc2)cc1 95985872 ZVCGNOBNIWWTLP-CYBMUJFWSA-N 307.397 4.204 0 40 DIAB CC/C(=C\C(=O)N1CCn2cccc2[C@H]1C)c1ccc(C)cc1 96035187 YOMJIHCEOKMORL-WECAROLCSA-N 308.425 4.193 0 40 DIAB C[C@@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1cccs1 96478033 FSLPSEPLOUOABO-SMDDNHRTSA-N 314.376 4.010 0 40 DIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccs1 96759067 YISMYYJXOBLQMS-NTMALXAHSA-N 314.797 4.056 0 40 DIAB CCC(=O)Nc1ccc(NCc2cc(F)cc(F)c2)cc1C 97229818 MGYMJORDMYPQKB-UHFFFAOYSA-N 304.340 4.234 0 40 DIAB CCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1 225043217 PKYUBTKDQUFCRD-LJQANCHMSA-N 312.409 4.447 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](CO)C3 252463599 HHAMKMUMKLXDFQ-YNZDMMAESA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro CCC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624737 UJWCEDFSTBUNEC-DOMZBBRYSA-N 305.418 4.041 0 40 DIAB Cc1nnc(SCc2cccc(F)c2)n1-c1ccc(F)cc1 409105959 KGKXDMZJIDHQJH-UHFFFAOYSA-N 317.364 4.146 0 40 DIAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(OC)cc3)c2c1 144077 XTEGPKHRFGBFIF-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@H](C)C2 483434 ULZDBUJYAFPCTO-NSHDSACASA-N 323.458 4.034 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 579662 BDYPBRXNSIXFDV-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CN(C)[C@H]1C[C@@](c2cccs2)(C2CCCCC2)CCC1=O 1577546 KGFHLVDDNFZNTD-MAUKXSAKSA-N 305.487 4.249 0 40 DIAB O=C1N[C@@H](c2ccc(Oc3ccccc3)cc2)Nc2ccccc21 3241083 IGZBXTSDZBGWQI-IBGZPJMESA-N 316.360 4.333 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)OCc1cccc(Cl)c1 3273473 NELLJIWIKPPYPH-UHFFFAOYSA-N 313.784 4.497 0 40 DIAB Cc1cc(C)c(NC(=O)/C=C/c2cnc3ccccc3n2)c(C)c1 3324848 KSTHYPFLWRUIOI-CMDGGOBGSA-N 317.392 4.207 0 40 DIAB CC(=O)CCc1ccc(OC(=O)c2cc3ccccc3o2)cc1 3428170 BIJNRWUTCBSYFA-UHFFFAOYSA-N 308.333 4.174 0 40 DIAB Cc1cc(C)n2cc(-c3sccc3Cl)c(C(=O)O)c2n1 4084134 PFBBKLAVIBLPAV-UHFFFAOYSA-N 306.774 4.031 0 40 DIAB O=C(Nc1ncnc2sccc12)c1cc(Cl)ccc1Cl 5299423 QQYAQFVEUVVSMY-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB Cc1cccc2sc(NC(=O)/C=C/c3cccs3)nc12 6868260 JYTNYPVCDUSXFT-BQYQJAHWSA-N 300.408 4.318 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nncs1 7784209 NFJGBAJCVOCTGX-LLVKDONJSA-N 321.471 4.089 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)N3CCC(C)CC3)ccc2c1 7981072 YFKCFNDKFUZKLE-HNNXBMFYSA-N 311.425 4.210 0 40 DIAB Cc1csc(Sc2nc(C)nc3sc4c(c23)CCC4)n1 7983859 ARSDSVUQUBWZDD-UHFFFAOYSA-N 319.480 4.405 0 40 DIAB CCOc1ccc(C(=O)c2oc3ccccc3c2N)cc1Cl 8324611 VHLZUEFLYZIWTH-UHFFFAOYSA-N 315.756 4.298 0 40 DIAB O=C(CCc1cccs1)N[C@H]1CCSc2ccccc21 8394663 MTYLFOBQQFVNLX-AWEZNQCLSA-N 303.452 4.034 0 40 DIAB CSc1cccc(C(=O)Nc2ccc3scnc3c2)c1 10217627 HGUVVAOUYPRGMV-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB CC(C)C(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1 12292279 CVHFZDDIPHYPKP-UHFFFAOYSA-N 302.443 4.452 0 40 DIAB CC(=O)c1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)s1 12824618 DCKFWWVJKFDEOZ-OAHLLOKOSA-N 315.438 4.468 0 40 DIAB O=C(O)c1cccnc1SCc1cccc(C(F)(F)F)c1 13188582 ZZELLHXCVQSQMC-UHFFFAOYSA-N 313.300 4.091 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13789823 PEHIZLDZZUZDGW-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1cc(C)ccc1F 13840285 WWXZXYILFDAFJU-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Fc1ccc2[nH]cc(CCNCc3cccc4[nH]ccc34)c2c1 15423532 RMHOSFGSOHRWJP-UHFFFAOYSA-N 307.372 4.121 0 40 DIAB Fc1ccccc1CN[C@@H](Cc1ccsc1)c1nccs1 19349525 DFXKXUJANXVYSY-HNNXBMFYSA-N 318.442 4.417 0 40 DIAB O=C(O)c1cnc2ccc(Cl)cc2c1Nc1cccc(O)c1 19793874 FHXDJNSRFUSASC-UHFFFAOYSA-N 314.728 4.036 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(F)cc2Br)c1 20430056 KIAODVAWKRUCQF-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB C[C@@H](NC(=O)c1cccnc1Cl)c1ccc2c(c1)CCCC2 24315952 KJWJFULKGRVIBW-GFCCVEGCSA-N 314.816 4.105 0 40 DIAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)cc1C 27557165 LVVRGRQZWWNRPK-HNNXBMFYSA-N 314.404 4.074 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCCO2 41450550 FIWNVNRIDODCIP-UHFFFAOYSA-N 318.760 4.064 0 40 DIAB C[C@H](NC(=O)c1ccccc1SCc1ccco1)C1CC1 44890143 REPXRACHYYDRQP-LBPRGKRZSA-N 301.411 4.100 0 40 DIAB Cn1c(C(=O)O)ccc1-c1cc(C(F)(F)F)ccc1Cl 67299919 YSAZPCYNXFTXJR-UHFFFAOYSA-N 303.667 4.063 0 40 DIAB CC(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462014 ZQVXIHYUAREZGS-UHFFFAOYSA-N 310.353 4.282 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72214931 WZXQEGHZRYHBLE-OAHLLOKOSA-N 319.449 4.046 0 40 DIAB COc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 73633919 ABGVIZTUWMPHLT-UHFFFAOYSA-N 317.186 4.309 0 40 DIAB OCc1ccc2nc(-c3cccc(Br)c3)sc2c1 73740287 OECDHKPWBNEODB-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB CCOc1ccc(-c2nc(-c3ccc(C)cc3)n[nH]2)cc1OCC 85385199 GCHXODLNQSYXTR-UHFFFAOYSA-N 323.396 4.245 0 40 DIAB Cc1nnc(CSCCCOc2ccc3ccccc3c2)o1 95965647 ORBIZQYZSYFDSG-UHFFFAOYSA-N 314.410 4.234 0 40 DIAB O=C(c1scc(-c2ccccc2)c1-n1cccc1)n1cccn1 96511578 CSIWKYVQYAVEJA-UHFFFAOYSA-N 319.389 4.091 0 40 DIAB Oc1nc(/C(Cl)=C\c2cccnc2)nc2ccc(Cl)cc12 96919963 SZBIKRIEBNNVNY-WUXMJOGZSA-N 318.163 4.121 0 40 DIAB CC(C)c1ccc([C@H]2Nc3nonc3N=C3CCCC(O)=C32)cc1 101973532 QRMKGCFJJXHMKW-MRXNPFEDSA-N 324.384 4.428 0 40 DIAB C[C@H](NC(=S)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102595581 BTLFZBTVLJYAIR-JBJRXJHCSA-N 302.487 4.036 0 40 DIAB CCc1ccccc1NC(=O)CSCc1ccc(OC)cc1 113935244 JPOPLYIJZUJWRD-UHFFFAOYSA-N 315.438 4.130 0 40 DIAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1 214039096 NIDPEFXOTWQTGF-KSTYKBLMSA-N 321.401 4.479 0 40 DIAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3)nc2c1 216920770 DEKLJAQRIKFRSH-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB CCC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223217330 ISWPTTUXTGXZAD-JSGCOSHPSA-N 305.418 4.041 0 40 DIAB O=C(NC1CCCCCCC1)c1cc(-c2ccc(F)cc2)on1 224069220 FYSGSKBXAASEPZ-UHFFFAOYSA-N 316.376 4.323 0 40 DIAB CCCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OC 224411733 JDFJKRLJPYPKAY-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCC1CCCCC1 224446799 NHTNXYFJBOFROH-INIZCTEOSA-N 309.837 4.194 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608721 QBPUYXZPCLFSMW-IBGZPJMESA-N 321.461 4.482 0 40 DIAB COC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCC1 225627304 CTRMDBGRHBKEPJ-UHFFFAOYSA-N 319.445 4.236 0 40 DIAB Cc1ccccc1CSc1nnc(Cc2ccccc2C)[nH]1 226299380 XTPVQIKMOLDHST-UHFFFAOYSA-N 309.438 4.305 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)o1 226305205 ZFYQJHOKCCCDEI-CHWSQXEVSA-N 312.413 4.240 0 40 DIAB Cc1cc(N[C@@H](c2cccnc2)c2c(C)[nH]c3ccccc23)no1 79302 SUYGBHZVJJAAIY-IBGZPJMESA-N 318.380 4.369 0 40 DIAB O=Cc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 462345 XXVPOEGBQKITPG-UHFFFAOYSA-N 305.164 4.204 0 40 DIAB CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC[C@@H](C)C2 483435 ULZDBUJYAFPCTO-LLVKDONJSA-N 323.458 4.034 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(C)c2C)c1 505942 SPMOSFTYYRWDEP-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB Cc1ccc2c(c1)[C@H](O)C[C@H](C)N2C(=O)c1ccc(Cl)cc1 1315220 AZGHPONYURSMKP-YVEFUNNKSA-N 315.800 4.121 0 40 DIAB CN(C(=O)CSCc1ccccc1Cl)c1ccccc1 1402850 NKOZVLZHGHPZCM-UHFFFAOYSA-N 305.830 4.236 0 40 DIAB Cc1cc(OCC(=O)NC2CCC(C)CC2)ccc1C(C)C 2633051 CBIYOPDIBPXKKY-UHFFFAOYSA-N 303.446 4.192 0 40 DIAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCC1 2637238 ORMXBBUAIYWMFA-UHFFFAOYSA-N 302.462 4.358 0 40 DIAB CCCCCC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 3127276 PKICEZFLDNWJNS-UHFFFAOYSA-N 324.424 4.135 0 40 DIAB Cc1cc(C)cc(NC(=O)C2(c3cccs3)CCOCC2)c1 4478927 GKDIUTVPBIKIRM-UHFFFAOYSA-N 315.438 4.052 0 40 DIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCc2ccccc2)cc1 5903448 WXWUNXSZZVRYAR-SDNWHVSQSA-N 307.437 4.356 0 40 DIAB Cc1cccc(NC(=S)N(C)CCOc2ccccc2)c1C 6335603 GAGJHNYVOIVVRC-UHFFFAOYSA-N 314.454 4.011 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(F)c1 6851496 AEKBPLPZZXXVPW-UHFFFAOYSA-N 300.308 4.017 0 40 DIAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccco1 7018420 SHFJFKWNIWOILV-UHFFFAOYSA-N 320.392 4.164 0 40 DIAB Fc1ccc(-c2nnc(COc3cccc(Cl)c3)o2)cc1 8344639 CTBIXTGMQBVJLA-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB Cc1c(-c2csc(NC[C@@H]3CCCO3)n2)oc2ccccc12 9609312 RNIYLZOZCCWUPA-LBPRGKRZSA-N 314.410 4.456 0 40 DIAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Cl 12342198 UZHMQBMKYWOFAJ-IHRRRGAJSA-N 309.837 4.148 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCC1 12637750 IUWABEYTZPAMEK-UHFFFAOYSA-N 314.816 4.121 0 40 DIAB COC(=O)c1ccc(C)c(NC(=O)c2cccc3ccccc23)c1 12763811 DDPPDHQMOFGHEI-UHFFFAOYSA-N 319.360 4.187 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCc3ccccc32)c1 12768812 SWRSZMCHZINITK-IBGZPJMESA-N 323.436 4.301 0 40 DIAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 12771200 WUXMUZDNRWPKKB-UHFFFAOYSA-N 322.433 4.391 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1C 12885161 SPBMEYINQLSBIX-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB C[C@@]1(c2ccncc2)Nc2ccccc2-c2nc3ccccc3n21 13127278 ZRZMLKAZUBVMMI-HXUWFJFHSA-N 312.376 4.245 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC)cc1OC 15964901 KNXJSONXCHGFBQ-ZDUSSCGKSA-N 313.397 4.470 0 40 DIAB C[C@H]1C[C@@H](C)CN(c2csc3ccc(Cl)cc3c2=O)C1 17245016 WAGMNCXFFLMXIP-PHIMTYICSA-N 307.846 4.397 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)cc1 20493909 SNDRKHQGEZAUAA-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccccc3)o2)cc1 20495949 QZPLLSGCXWXAKB-UHFFFAOYSA-N 307.353 4.112 0 40 DIAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1C 27580190 DXNUXVQMHXJQQL-UHFFFAOYSA-N 320.392 4.231 0 40 DIAB O=C(c1ccccc1)N(Cc1ccccc1F)c1ccccn1 27992362 PTTMEZCVKNBTLA-UHFFFAOYSA-N 306.340 4.068 0 40 DIAB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccccc1 30852672 WAJQKASSMVGZQQ-IBGZPJMESA-N 311.425 4.422 0 40 DIAB C[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1Cl 32803531 LWFRGQQLMJLQEW-ABAIWWIYSA-N 318.804 4.371 0 40 DIAB Cc1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 33429137 UAGUDOKWIMRRLT-ZHACJKMWSA-N 301.349 4.245 0 40 DIAB CCCN(Cc1ccsc1)C(=O)NCc1ccc(F)cc1 44447392 MVLVHXWCKHNZCE-UHFFFAOYSA-N 306.406 4.009 0 40 DIAB Cc1cc(C)c2oc(-c3cc(-n4cnnc4)ccc3Cl)nc2c1 45887586 AKSWSPNODKGYHJ-UHFFFAOYSA-N 324.771 4.346 0 40 DIAB Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 58645160 QWUVZYHYIOKLML-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB O=C(CCc1ccccc1Cl)NCCCc1ccccc1 60386989 VWCBCIBMLWQVCD-UHFFFAOYSA-N 301.817 4.022 0 40 DIAB CCCNc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72213163 ORJFPMQOBSOSOH-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB Cc1cc(NCc2ccccc2)ncc1[C@@H](N)c1ccccc1 72223379 XYQHEWDJPSMBMT-FQEVSTJZSA-N 303.409 4.050 0 40 DIAB Cc1csc(C2(NC(=O)Nc3cccc(F)c3)CCCC2)n1 78821447 RJOFFLBZCGOMGD-UHFFFAOYSA-N 319.405 4.182 0 40 DIAB CCOCc1ccccc1NC(=O)Nc1cc(OC)ccc1C 89988703 SJJLRRNYLHOVSR-UHFFFAOYSA-N 314.385 4.184 0 40 DIAB O=C(/C=C/c1ccco1)N(Cc1ccoc1)Cc1cccs1 90612070 CBTKSCHJBDIIDG-AATRIKPKSA-N 313.378 4.176 0 40 DIAB O=C(O)CCCN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 157064538 OHNLYZDDBGPJOX-CQSZACIVSA-N 315.335 4.097 0 40 DIAB O=C(Cc1ccccc1Cl)NCc1ccc2ccccc2c1 222822284 DUPBTPZWRAPNEB-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 224609191 HCDRDEGBMNXRAY-OAHLLOKOSA-N 305.462 4.402 0 40 DIAB O=C(O)[C@@H](Cc1ccc(F)cc1)Oc1ccc2ccccc2c1 225054831 CALRWIKWKBRDOT-GOSISDBHSA-N 310.324 4.054 0 40 DIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1C 225364368 MVNUQYWUNRIIAB-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB COc1cc(C)c(C(=O)N(C)Cc2ccccc2)cc1C(C)C 225654579 ICXBKPYOSOCUQC-UHFFFAOYSA-N 311.425 4.399 0 40 DIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861037 YHFSZCOGXSTGPP-UHFFFAOYSA-N 324.424 4.158 0 40 DIAB Cc1cc(N)cc(Cl)c1NC(=O)c1cccc(OC(C)C)c1 226763208 CNPFHDCAYWATPX-UHFFFAOYSA-N 318.804 4.270 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CCCCCCC1 408678051 DTYIQQAKTSNIEY-SFHVURJKSA-N 303.446 4.382 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1c(F)cccc1Cl 575607980 GTHRJZREZPHQJH-UHFFFAOYSA-N 319.719 4.262 0 40 DIAB O=C(Cc1ccccc1Cl)NCc1ccc(-c2ccoc2)o1 575609691 DQSOVOINQYHHDW-UHFFFAOYSA-N 315.756 4.052 0 40 DIAB C[C@H]1C[C@H](c2ccc(Cl)c(N)c2)CN(C(=O)OC(C)(C)C)C1 1625361850 IVARZESEJKRXJQ-AAEUAGOBSA-N 324.852 4.283 0 40 DIAB c1ccc2oc(NCC3(c4ccsc4)CCOCC3)nc2c1 1775970432 MTXHNUJUFVNANG-UHFFFAOYSA-N 314.410 4.050 0 40 DIAB COc1cccc(NC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c1 1775976206 WAZAANROOHPWQS-IRXDYDNUSA-N 312.413 4.190 0 40 DIAB Cc1noc(C)c1COC(=O)C(c1ccccc1)c1ccccc1 3320782 JLJNDDLQIIFHSQ-UHFFFAOYSA-N 321.376 4.167 0 40 DIAB O=C(Cc1ccsc1)NC(c1ccccc1)c1ccccc1 3368811 UYMGADAYWRJAID-UHFFFAOYSA-N 307.418 4.196 0 40 DIAB COc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 3607660 KNOSCIBXODNMKQ-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccccn1 4123459 PWDICYFTCVZFHK-HXUWFJFHSA-N 314.392 4.468 0 40 DIAB CC1(C)C[C@@H](NCC[C@@H](c2ccccc2)c2ccco2)CCO1 4834884 MTBSKVFOKRVVFD-ROUUACIJSA-N 313.441 4.349 0 40 DIAB Cc1ccc(C)c(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1 5034396 DYVAWLRSTCSOSV-MDZDMXLPSA-N 305.377 4.274 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1 5264450 DCSGGMYPYYHOTP-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB C/C=C/C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5462514 MBZIMUDYLDDSGY-KRXBUXKQSA-N 319.360 4.137 0 40 DIAB Cc1ccc(NC(=O)COc2cccc(OCC(C)C)c2)cc1 5541543 YJZPWZUHSLLQGV-UHFFFAOYSA-N 313.397 4.047 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cc2c(s1)CCCC2 8278265 XVQIKDKHQQAEMQ-UHFFFAOYSA-N 313.378 4.125 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 8405106 OKEZJUAEALQDPY-UHFFFAOYSA-N 323.392 4.218 0 40 DIAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NC1CC1 11660846 NSQDYLAEGGJLCQ-UHFFFAOYSA-N 322.383 4.185 0 40 DIAB Cc1cc(OCC(=O)NC2CCC(C)CC2)cc(C(C)C)c1 13165416 WWQSVUTXKKFMTH-UHFFFAOYSA-N 303.446 4.192 0 40 DIAB O=C(NCCSCc1ccc(Cl)cc1)C1CCCCC1 13716895 MTNFDKCQMLPINE-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB Cc1ccccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 14167274 JTZRLOHLECWSSB-UHFFFAOYSA-N 308.362 4.220 0 40 DIAB Cc1nn2c(nc(N3CCCCCC3)c3ccccc32)c1Cl 14245859 OARYYUCICBTYEU-UHFFFAOYSA-N 314.820 4.225 0 40 DIAB Cc1ccccc1[C@@H]1CC(=O)c2cnn(-c3ccc(F)cc3)c2C1 17055221 XEZHGDOHCASNEU-AWEZNQCLSA-N 320.367 4.233 0 40 DIAB CC(C)COC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20160536 PHASQKJJYXSVLW-UHFFFAOYSA-N 322.360 4.273 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1SC 20493639 LCMJFZNLSGVPAP-CYBMUJFWSA-N 315.438 4.377 0 40 DIAB CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)ccc1C 31875026 DSQDNIYADWPWAV-UHFFFAOYSA-N 305.809 4.241 0 40 DIAB Cc1ccc(NC(=O)c2csc(Br)c2)c(C)c1 32779820 BCZIIDYGWHGVPI-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB Cc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1 48069368 BIIMUEYITZAAOJ-UHFFFAOYSA-N 324.243 4.091 0 40 DIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 57331544 RXDCUSXGFGVFQP-RYUDHWBXSA-N 324.346 4.013 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 59351610 NLAOTBWMEAALRR-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB Cc1ccnc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c1 72211215 CUDQJFHQXAEPAY-SFHVURJKSA-N 310.397 4.254 0 40 DIAB CCSc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cn1 72303324 JZJBOYAAYOOSAG-SUMWQHHRSA-N 312.438 4.027 0 40 DIAB CN(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 78582487 OFQGDCYXFDECRX-UHFFFAOYSA-N 319.857 4.232 0 40 DIAB Cc1sc2ncnc(N[C@@H](C)c3nc4ccccc4[nH]3)c2c1C 95348624 WEFQCXFYCLXEBT-JTQLQIEISA-N 323.425 4.358 0 40 DIAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(Cl)c(F)c1 95945228 RMPWUAWGSDGYIB-HNNXBMFYSA-N 322.792 4.238 0 40 DIAB Cc1cc(=O)oc2c(C)c(O)c(-c3cc4ccc(F)cc4[nH]3)cc12 96343869 YJKYLIDTXIJKTI-UHFFFAOYSA-N 323.323 4.403 0 40 DIAB CN(Cc1ccc(Cl)c(Cl)c1)c1cncc(Cl)n1 97091639 FFAODSDQXNWXNO-UHFFFAOYSA-N 302.592 4.073 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccccc1Cl)C2 103422885 HZUDWFYGQNPAEI-PNPHSEOMSA-N 321.848 4.050 0 40 DIAB CCc1ccc(CC(=O)Nc2cc(Cl)ccc2OC)cc1 222799652 ASPXBLMHHCXPQC-UHFFFAOYSA-N 303.789 4.092 0 40 DIAB CCN(CCCNC(=O)c1cc(C)ccc1C)c1ccc(C)cc1 225054308 CKVXNLGZQLVOJG-UHFFFAOYSA-N 324.468 4.258 0 40 DIAB CCc1nc2ccc(NC(=S)NC3CCCCC3)cc2s1 225206254 UYXNFTJDLTWMDZ-UHFFFAOYSA-N 319.499 4.478 0 40 DIAB O=C(O)c1ccc(CCc2ccccc2)n1Cc1ccc(F)cc1 226028973 YYCLVFDUYXIGIS-UHFFFAOYSA-N 323.367 4.159 0 40 DIAB c1ccc(-c2nc(CNc3cc4c(cn3)CCCC4)cs2)nc1 516521525 RXYFUIWZFRUDMS-UHFFFAOYSA-N 322.437 4.091 0 40 DIAB O=C(NC[C@@H](c1ccco1)c1cccs1)Nc1cccs1 585146715 GSJZNLDLTXDEBP-NSHDSACASA-N 318.423 4.356 0 40 DIAB COc1ccc(Cl)cc1C(=O)NCC(C)(C)c1ccsc1 1565519125 CTMKJDSBXOOKKN-UHFFFAOYSA-N 323.845 4.118 0 40 DIAB CN(Cc1nc(-c2ccccc2)cs1)C(=O)c1ccccc1 33524 PREKAWCPJQQBMV-UHFFFAOYSA-N 308.406 4.082 0 40 DIAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2CCC=CCC[C@@H]12 552889 NVXYQEIQUDSTGK-ZIAGYGMSSA-N 320.230 4.380 0 40 DIAB CCOc1ccc(OCCC(=O)Nc2ccccc2Cl)cc1 2638845 CWYKVKDIMBJKKS-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB COc1cccc(O)c2c(C)[n+](-c3cc(C)cc(C)c3)c(C)c1-2 4427773 DHHVRYYFVNHNCI-UHFFFAOYSA-O 308.401 4.016 0 40 DIAB Cc1csc(NC(=O)c2ccccc2Oc2ccccc2)n1 5678611 UXAKBCSJZLXJSN-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB O=C(NCc1ccccc1)c1ccc(C2SCCS2)cc1 6337401 JZDKTIIELKAQAR-UHFFFAOYSA-N 315.463 4.095 0 40 DIAB CC(=O)Nc1ccc(OCCCOc2ccc(Cl)cc2)cc1 8286427 XVVYKSKOBMHREX-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)cc1 15575991 ZOABESMFLXDZTK-CBHXRGPZSA-N 321.420 4.381 0 40 DIAB CC(=O)Nc1ccc(CNc2ccc(Br)cc2)cc1 19922994 JTPODRSSXKIBMK-UHFFFAOYSA-N 319.202 4.020 0 40 DIAB CCc1c(C)n(C2CCCCCC2)c2nc3ccccc3n2c1=O 20798414 UVUDGGXGGDZMFN-UHFFFAOYSA-N 323.440 4.415 0 40 DIAB O=C(Nc1cccc2ccccc12)N(Cc1ccccn1)C1CC1 32740591 CACALHSNJPTASU-UHFFFAOYSA-N 317.392 4.431 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)cc1F 38753004 IYLCNOZRYAGXAB-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB c1ccc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49169304 CNKAFHICRPYXHR-KRWDZBQOSA-N 311.429 4.106 0 40 DIAB biogenic,in-vitro CCOc1ccccc1CNC(=S)Nc1ccc(C)cc1C 53521455 GPMMAKYIAZBZNQ-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1cc(NC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)no1 66349149 HPAQXKOPRIIKTO-UHFFFAOYSA-N 324.340 4.123 0 40 DIAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1CC(C)C 72218943 YTPFBLLRLMEPNK-GOSISDBHSA-N 301.478 4.173 0 40 DIAB Cc1nc(Oc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224194 LDNZWRXMQGJUNQ-UHFFFAOYSA-N 314.385 4.207 0 40 DIAB O=C(c1cccc(Cl)c1)N1CCC(c2ccsc2)CC1 75157109 LXBAOZZJFHWRLQ-UHFFFAOYSA-N 305.830 4.421 0 40 DIAB CCCc1nc(C)c(C(=O)N(C2CCCCC2)C2CC2)s1 84759019 DNQLLPAMLKIQBP-UHFFFAOYSA-N 306.475 4.341 0 40 DIAB CC(C)Oc1ccc(Cc2cc(-c3ccccc3)nnc2O)cc1 95477145 MPJSUAJWAAZGKX-UHFFFAOYSA-N 320.392 4.227 0 40 DIAB O=C(c1ccc2ncsc2c1)N(Cc1ccsc1)C1CC1 96120287 WIZRMHNCOZQZNX-UHFFFAOYSA-N 314.435 4.163 0 40 DIAB Cc1c2c(nc3ccccc13)CN(c1ccc(Cl)cc1)C2=O 96319288 MWIVLRUPVZVUGX-UHFFFAOYSA-N 308.768 4.357 0 40 DIAB Cc1cc(Br)c2nc(Br)sc2c1 96327069 SJTCFJOBMFPSAW-UHFFFAOYSA-N 307.010 4.130 0 40 DIAB O=C(O)c1sc(Cl)cc1OCc1ccc(Cl)cc1 96510920 JPSIUJKXWFJRRK-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB CC(=O)c1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C 199831380 MXFUMJAFLBXISM-UHFFFAOYSA-N 319.279 4.135 0 40 DIAB COc1ccc(NC(=O)Nc2ccc3sc(C)nc3c2)cc1 202583757 UJIRZBDUSWWQFP-UHFFFAOYSA-N 313.382 4.257 0 40 DIAB Cc1ccccc1CNC(=O)CCc1cccc2ccccc12 222661324 PTAVFPFGKACLLJ-UHFFFAOYSA-N 303.405 4.397 0 40 DIAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)c1 225177043 QDGIIJLBLKZHJP-UHFFFAOYSA-N 317.314 4.449 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(OC2CCCC2)cc1 225726513 WLKLFITVOFHLGU-UHFFFAOYSA-N 305.418 4.152 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nc(C)n2C 225893900 UGSSUJFNEXUOOI-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1 409206980 XXMBLIBMKSVFMJ-VXPUYCOJSA-N 322.433 4.112 0 40 DIAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NC1CCCCCC1 36351 JHEXNANCEAYZDG-AAEUAGOBSA-N 304.261 4.417 0 40 DIAB O=C(c1cc(F)c(F)cc1Cl)N1CCCc2ccccc21 291486 GLZFHOGTCIRQTN-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccnc1 557849 FNRPDGXJUFTLFD-SNAWJCMRSA-N 323.179 4.049 0 40 DIAB FC(F)(F)c1nc(SCc2ccccc2)nc2c1CCC2 582502 CPHPBPJDJJEHSB-UHFFFAOYSA-N 310.344 4.276 0 40 DIAB CCOc1ccc(NC(=O)CSc2ccccc2C)cc1 2632927 MCRLAVMVFJJVKA-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1 3160108 NJBLUNMQEZGATC-DHZHZOJOSA-N 302.171 4.101 0 40 DIAB CC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3479687 QVDGEALIQVBFGP-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2 3885005 YOJABMSUQZRPTE-WYMLVPIESA-N 301.345 4.420 0 40 DIAB COc1cc2c(cc1OC)-c1cc(-c3ccccc3)cn1CC2 4084644 ZFHIWADTJXSVRE-UHFFFAOYSA-N 305.377 4.395 0 40 DIAB biogenic CCC[C@@H](O)[C@@H](CC)N[C@@H](Cc1ccccc1)c1ccccc1 4777499 WCMLBOIVUKMLBK-QHAWAJNXSA-N 311.469 4.500 0 40 DIAB Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c(F)c1 5628659 KPJRCJWYPFCSEN-UHFFFAOYSA-N 316.357 4.006 0 40 DIAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1 6180894 YSNZRQCRIIRDRU-BQYQJAHWSA-N 318.756 4.025 0 40 DIAB Cc1cc(C)c(C(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1C 9045355 OGQXSBVMESXCLJ-MJGOQNOKSA-N 315.457 4.033 0 40 DIAB biogenic Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1ccccc1 10310934 PWRMCPRDMQFLRX-GOSISDBHSA-N 308.425 4.079 0 40 DIAB O=C(CSc1nc2ccccc2o1)c1ccc(F)cc1F 14142295 NQDOZAMMKIBAGJ-UHFFFAOYSA-N 305.305 4.081 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1 14738188 FDHQLTLSQAFCKE-CYBMUJFWSA-N 317.816 4.159 0 40 DIAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 15413722 LUBNRIPHWWNQSB-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB COc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 15973853 RQWPMCHDZCMYDY-UHFFFAOYSA-N 319.428 4.167 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)c2ccccc2C)c1 16241005 ZQOLPPGDVNAOGM-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 20221029 DNABNGOQRYZJRU-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(SC)c1 22511743 HJHYGWRZGPOYRR-CYBMUJFWSA-N 315.438 4.377 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1 24872476 AIVXVSBJAVRGRH-INIZCTEOSA-N 311.425 4.122 0 40 DIAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cc(Cl)c[nH]1 25604688 OJIVRLAILJTMCO-HNNXBMFYSA-N 316.813 4.249 0 40 DIAB O=c1cc(-c2ccccc2)c2ccc(Oc3ncccn3)cc2o1 32666467 CDHUCSJZJNCXGD-UHFFFAOYSA-N 316.316 4.042 0 40 DIAB CCCCOc1ccc(CNCCCOC(C)C)cc1OCC 36612737 ASIVNHUVOLVGBC-UHFFFAOYSA-N 323.477 4.169 0 40 DIAB Clc1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 37400480 YVEZWCJVKCMIOH-UHFFFAOYSA-N 321.163 4.308 0 40 DIAB C[C@H](NC(=O)CCNc1ccccc1)c1ccccc1Cl 40069614 VOVFJAUPYINLDX-ZDUSSCGKSA-N 302.805 4.019 0 40 DIAB COc1ccc(CN[C@@H](C)c2cccc3ccccc23)cc1O 48324794 PTPHKWHMVUFOBD-AWEZNQCLSA-N 307.393 4.405 0 40 DIAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1 58327058 NXAWSSFIPCTEJX-UHFFFAOYSA-N 320.392 4.046 0 40 DIAB CCc1cc2c(Nc3c(C)nn(C(C)C)c3C)ncnc2s1 83820567 MPPVROKBFTWBDZ-UHFFFAOYSA-N 315.446 4.392 0 40 DIAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1ccoc1 89646866 ASGSXFKJOVVJKV-UHFFFAOYSA-N 316.357 4.187 0 40 DIAB Fc1ccc2c(c1)[C@@H](SCc1nnc(C3CCC3)o1)CC2 95412928 YQVAPIUSZDQHLU-AWEZNQCLSA-N 304.390 4.397 0 40 DIAB CCc1cc(C(=O)N(CC(F)(F)F)C2CCC2)sc1C 95963978 IYBUPFABEAKPRK-UHFFFAOYSA-N 305.365 4.176 0 40 DIAB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1Cl 100758739 WUEIAKFRNLDGMZ-ROUUACIJSA-N 319.832 4.372 0 40 DIAB CCN[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935691 ULMJJEKBONMJLW-VTZQMFNYSA-N 317.517 4.288 0 40 DIAB Cc1cc(C)n(-c2nc3c(C)cc(Br)cc3s2)n1 216769255 PUMKBAFWBDKKDY-UHFFFAOYSA-N 322.231 4.170 0 40 DIAB O=C(c1ccc(Br)s1)c1coc2cc(O)ccc12 218709800 SXLLWDOXTAQJSA-UHFFFAOYSA-N 323.167 4.193 0 40 DIAB Cc1ccc(C)c(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219275851 LWNYGGSOUFMWPS-GOSISDBHSA-N 323.436 4.265 0 40 DIAB CC[C@H](NC(=O)c1ccccc1F)c1ccc(OC)c(C)c1 224852142 FXNDSGGCAJTQAG-INIZCTEOSA-N 301.361 4.024 0 40 DIAB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)c2ccccc21 409118841 QFXLVDNYAAAMOW-SSZFMOIBSA-N 323.392 4.001 0 40 DIAB COc1ccccc1[C@@H]1Nc2c(C)cccc2-c2cc(C)nn21 818103 LJEDXARQLGGUKX-LJQANCHMSA-N 305.381 4.148 0 40 DIAB COc1cc(Nc2ncnc3cc(Cl)ccc23)cc(OC)c1 1387066 VRDFWBGQAAMFCT-UHFFFAOYSA-N 315.760 4.044 0 40 DIAB c1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc23)cc1 2215698 NHWJHOXZLQDTMA-UHFFFAOYSA-N 323.359 4.007 0 40 DIAB Cc1ccc([C@H](CC(=O)NCc2ccco2)c2ccco2)cc1 2356683 ZNWQLZOANJQIBK-KRWDZBQOSA-N 309.365 4.019 0 40 DIAB CCCCCOc1ccc(C(=O)CCCC(=O)OCC)cc1 2580401 PLGFBDKHVOJADC-UHFFFAOYSA-N 306.402 4.172 0 40 DIAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CCCC2 3200088 OLCRCVNZVRBHCP-UHFFFAOYSA-N 323.458 4.178 0 40 DIAB CC[C@H]1CCCCN1C(=O)CSCc1ccc(Cl)cc1 3257935 DAMAHWBTDSQGCW-HNNXBMFYSA-N 311.878 4.364 0 40 DIAB C[C@H]1Cc2ccc3c(c2[C@H](c2ccc4c(c2)OCO4)[C@@H]1C)OCO3 5029680 HTUIKPYRGODLDO-IUUKEHGRSA-N 324.376 4.104 0 40 DIAB CC(C)(CO)NCc1ccc(-c2ccc(Cl)cc2Cl)o1 6883166 HYNCMQJCNLFZRR-UHFFFAOYSA-N 314.212 4.114 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)c1 7402729 CWBDRBAQOYDCHY-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7957226 KYBOSKQJQLPZRO-SWLSCSKDSA-N 301.361 4.394 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c1 9194350 FMZFYRMLJNQOIZ-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)N1CCSc2ccccc21 9503100 HEDVYYUAYLEWMG-UHFFFAOYSA-N 323.339 4.458 0 40 DIAB C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1 12533149 VOUHJBFOVGEMJR-OAHLLOKOSA-N 318.376 4.365 0 40 DIAB O=C(CCC1CCCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 12546038 VFVWDNXJCYZAJK-UHFFFAOYSA-N 323.440 4.149 0 40 DIAB O=C1CCC(c2ccc(Cl)cc2)=NN1c1ccc(F)cc1 12944167 BGAWIVZEUPCEHE-UHFFFAOYSA-N 302.736 4.010 0 40 DIAB O[C@@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 14929244 RNYDSULXEGZJTK-SJORKVTESA-N 324.449 4.167 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)cc1C 15835434 OBDIWGMGHHQBOY-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB C[C@@H]1CN(Cc2csc(-c3ccccc3Cl)n2)C[C@@H](C)O1 17056363 DSKBWPUVUPZXOI-VXGBXAGGSA-N 322.861 4.073 0 40 DIAB CCc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19523476 GBYOZGRWZPBBCJ-YHELAOLJSA-N 321.468 4.101 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCCC(C)(C)C1 20111685 IUZTYTVOSWYMCA-MRXNPFEDSA-N 303.446 4.109 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccccc2)c1 21555570 RIRWRMICHUHUDT-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 21700987 SIVQVLDZXHSOOY-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB O=C(COc1ccc(F)cc1F)Oc1ccc2ccccc2c1 24539435 AKMUDZPGPJCFHF-UHFFFAOYSA-N 314.287 4.102 0 40 DIAB O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCCC1 28247663 MOKBIWVVDFCMRV-UHFFFAOYSA-N 304.781 4.296 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 31082552 BFGPUERDVVLMLI-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(F)cc(F)c1 32903506 HTJXSGWSRABJQA-KRWDZBQOSA-N 318.367 4.061 0 40 DIAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C)c(C)c3)C2)cc1 38566780 DFSDYUGGWHRDEF-KRWDZBQOSA-N 324.424 4.333 0 40 DIAB CCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 44900678 YQNTYCGMGCOTOV-GOSISDBHSA-N 313.397 4.054 0 40 DIAB COc1cc(-c2ccccc2)sc1C(=O)N1CCCCC1 48167101 LLSXMZGBSPVSTR-UHFFFAOYSA-N 301.411 4.050 0 40 DIAB C[C@H](NC(=O)c1cccnc1S)c1csc2ccccc12 71879560 DHRRHPYPUOBOGE-JTQLQIEISA-N 314.435 4.076 0 40 DIAB CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72348584 OSSOYFJZFLBUOO-OAHLLOKOSA-N 300.833 4.135 0 40 DIAB COc1ccc2[nH]cc(-c3cnc4cc(C)c(C)cc4n3)c2c1 77024297 RYSROPMYYYKLKY-UHFFFAOYSA-N 303.365 4.404 0 40 DIAB CC(C)(C)SCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 84240936 SDHUDLBKZCYBOD-MRXNPFEDSA-N 303.471 4.197 0 40 DIAB Cc1sc(N)c(-c2nc(-c3ccc(Cl)cc3)no2)c1C 101290795 IVTGCMIYQBYKAJ-UHFFFAOYSA-N 305.790 4.318 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)c1 222857988 UDNILDLCGCPRHG-INIZCTEOSA-N 319.404 4.232 0 40 DIAB CCOc1ccc(-c2nc(-c3ccc(N)cc3Cl)no2)cc1 225175858 GYZFYYXFSWMBKQ-UHFFFAOYSA-N 315.760 4.038 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 225633340 ZVIQQEMSMUOWKB-HNAYVOBHSA-N 319.445 4.399 0 40 DIAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226347821 JGCHYVIEIUVIRN-UHFFFAOYSA-N 312.756 4.435 0 40 DIAB C[C@H]1[C@H](C)CCCN1Cc1c([C@H]2CCCO2)[nH]c2ncccc12 247883608 RYNAYTUYWPFNAP-JKIFEVAISA-N 313.445 4.035 0 40 DIAB Clc1nc(Cl)c2cc(Cl)c(Br)cc2n1 514253346 GDQRQHIERHLVDA-UHFFFAOYSA-N 312.381 4.353 0 40 DIAB Cc1ccccc1[C@@H]1CCCN1Cc1ccc2c(c1)ncn2C 539409675 SXGOFVVNTRUKIR-IBGZPJMESA-N 305.425 4.219 0 40 DIAB CCc1ccc(OC(=O)c2ccc(Br)cc2)cc1 1017013 CAFLBGUDIJJNIM-UHFFFAOYSA-N 305.171 4.231 0 40 DIAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl 3438327 PBYWZNYOJACPOH-SECBINFHSA-N 314.237 4.475 0 40 DIAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 4662713 BEUNGZJVPASQTK-LBPRGKRZSA-N 307.390 4.140 0 40 DIAB CC1CCN(c2ncnc3c2oc2ccc(Cl)cc23)CC1 5255341 ZSGRMALERMJGQO-UHFFFAOYSA-N 301.777 4.266 0 40 DIAB CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 5602202 PJUMEOWQWKXNLX-UHFFFAOYSA-N 301.389 4.115 0 40 DIAB CCc1ccc2oc(C(=O)Nc3c(C)cccc3C)cc(=O)c2c1 6811285 MKXXHBGMUWTHBD-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(F)c(F)c2)c1 7209049 RARYWDMRLPJUBP-UHFFFAOYSA-N 321.392 4.454 0 40 DIAB CCOc1ccc(CNCc2ccccc2Cl)cc1OCC 8324916 BEQHLCCCEISDKI-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB Cc1cc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)no1 8708028 NKEGLBQNMPHZAO-UHFFFAOYSA-N 308.341 4.371 0 40 DIAB O=C(Nc1ccccc1N1CCCCC1)NC1CCCCC1 9157822 SYQVCERMGGGOBP-UHFFFAOYSA-N 301.434 4.131 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C)ccc1C 11636851 STHIEXGXWSSHGF-SFHVURJKSA-N 313.397 4.108 0 40 DIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)SC2CCCCC2)cc1 12771264 XBVKRLKSVYJKGL-GFCCVEGCSA-N 305.443 4.282 0 40 DIAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2)cc1 13094754 GNOJSFCQFSPZKZ-DHZHZOJOSA-N 309.365 4.160 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 13930837 AEPRDHCIIUCJKB-CQSZACIVSA-N 314.454 4.360 0 40 DIAB Cc1cc(-c2ccc(N3CCOCC3)c(F)c2)nc2ccccc12 15453935 BSGXHCCLZBXMPZ-UHFFFAOYSA-N 322.383 4.186 0 40 DIAB CCC[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 16047134 BQOPHBYHXKUSBK-YOEHRIQHSA-N 321.424 4.115 0 40 DIAB Cc1ccc2/c(=N/CCCC(=O)O)cc(-c3ccccc3)oc2c1 19793966 VYRZDWDBCRPCGP-HEHNFIMWSA-N 321.376 4.174 0 40 DIAB CC[C@@H](C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20487850 KHAARCRTSNORLU-MRXNPFEDSA-N 322.452 4.168 0 40 DIAB Oc1ccc(OCCCCCCOc2ccc(O)cc2)cc1 21300011 GAUXFYRABTWLKY-UHFFFAOYSA-N 302.370 4.116 0 40 DIAB Cc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)[nH]1 32759627 VLMVTOCZOHHHKM-UHFFFAOYSA-N 301.349 4.277 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)N[C@@H]1CCOc2ccccc21 40023898 DXNRXSJMEMHPEE-CYBMUJFWSA-N 320.751 4.124 0 40 DIAB Cc1cc(C)c(NC(=O)N[C@H](C)c2ccccn2)c(Cl)c1 40477701 UAFAOYZEHHPKNP-GFCCVEGCSA-N 303.793 4.235 0 40 DIAB C[C@@H](NCc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1 69845904 IJXTUUWBJQMBTQ-SNVBAGLBSA-N 319.817 4.302 0 40 DIAB Cc1nc(NCc2ccccc2)ccc1[C@H](O)c1ccccc1 72224414 JPHDESLBZDXIRS-HXUWFJFHSA-N 304.393 4.084 0 40 DIAB CCc1ccc2oc(-c3ccc(N)cc3Br)nc2c1 73639314 BWQZHQLNGZRRJI-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB CCc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c1C(=O)O 78405474 VKXKESBOEWUONT-UHFFFAOYSA-N 312.196 4.412 0 40 DIAB CCC1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 78884846 OOWZKVOCMCLULQ-HOAMVYINSA-N 305.384 4.440 0 40 DIAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)OC(=O)C1CC1 95960722 UKFHWCWVSGJLQD-SNVBAGLBSA-N 305.374 4.272 0 40 DIAB CC(=O)N(C)c1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1 95963257 XMMDTPQZTUPANG-GFCCVEGCSA-N 315.417 4.128 0 40 DIAB C[C@H](NCCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 95995442 PHMREHRVUUJDDC-SIKLNZKXSA-N 322.496 4.119 0 40 DIAB O=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1 114440830 TYMIFYJJOPYXBG-UHFFFAOYSA-N 307.393 4.421 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)NCCC2=CCCCC2)cc1 222879464 SDMPQPFKHZEUAQ-IBGZPJMESA-N 315.457 4.413 0 40 DIAB Cn1c(-c2ccc(Cl)cc2)csc1=NCc1ccco1 575628185 KUCSZCKFRZVDEQ-UHFFFAOYSA-N 304.802 4.101 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 365120 LVCCZHLUKTXYPL-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cn1c(NCc2ccc(Cl)c(Cl)c2)nc2ccccc21 858830 PEJXJYQDRSYCMZ-UHFFFAOYSA-N 306.196 4.492 0 40 DIAB CC(C)(C)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 2648945 BVXDKGPCVOJOCF-QGZVFWFLSA-N 323.392 4.224 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C 3317501 MAKJJIJSXSQEQJ-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccncc1 5636338 WQSYWHZUYUXMFO-NWDGAFQWSA-N 320.845 4.093 0 40 DIAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1F 7116753 HOMYSYGDMZGKPR-UHFFFAOYSA-N 314.385 4.016 0 40 DIAB O=C(c1ccccc1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 7507264 OAWFHCHLHOLEMK-LJQANCHMSA-N 321.401 4.036 0 40 DIAB Fc1ccc(NC(=S)NC2CCCCCC2)cc1Cl 7572169 QALIVMNDEGMPQT-UHFFFAOYSA-N 300.830 4.488 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(C)c(C)s2)c1 7685857 NAOLHUPFRNSOIQ-UHFFFAOYSA-N 318.442 4.209 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cc2ccccc2cc1O 8447732 WBDXWOXPCKAVPG-UHFFFAOYSA-N 319.316 4.044 0 40 DIAB Cc1ccc(CN(C(=O)c2ccccc2)c2ccccn2)cc1 11915858 RYTMDBQLKPOMCW-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccccc2C)no1 12589650 WFACPIUSGIEKLD-UHFFFAOYSA-N 319.408 4.306 0 40 DIAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccnc(Cl)c2)cc1 12813568 RLSKKRBSVFSLDL-CYBMUJFWSA-N 316.832 4.425 0 40 DIAB CC(C)OCc1ccc(C(=O)Nc2cccc3cccnc23)cc1 12994436 SPDFYECXUCINKF-UHFFFAOYSA-N 320.392 4.412 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccccc2)CC3=O)cc1 17030811 FYPFNMBQVXDWDW-MRXNPFEDSA-N 302.377 4.093 0 40 DIAB CCOCCOc1ccc(NCc2cccc(OCC)c2)cc1 19738431 VQIRNTDXGQZEDW-UHFFFAOYSA-N 315.413 4.113 0 40 DIAB Cc1cc(C)c2cc(C(=O)NCC3(c4ccccc4)CC3)[nH]c2c1 21525337 ICQDTQWTWXYFFE-UHFFFAOYSA-N 318.420 4.246 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1 22975992 BXVXPTHBJYKGNA-APWZRJJASA-N 311.425 4.338 0 40 DIAB Cc1ccc(CSc2nc(N)c3c(C)c(C)sc3n2)cc1 24834040 NGDQFJGRJOZBSF-UHFFFAOYSA-N 315.467 4.491 0 40 DIAB c1ccc([C@@H](CNc2nc3ccccc3o2)N2CCCC2)cc1 26081913 GEGSGTRFUFJXAA-QGZVFWFLSA-N 307.397 4.077 0 40 DIAB CC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 29106596 QZKUVUUHWRICJU-NWDGAFQWSA-N 302.443 4.342 0 40 DIAB COc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)cc1OC 34266260 UNJUJIMIVAHKLM-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC(C)NC(=O)c1cc2occc2n1Cc1ccccc1Cl 36360539 MLKBJMNLTCYCLL-UHFFFAOYSA-N 316.788 4.074 0 40 DIAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccco3)o2)cc1 39538311 UYTALKFCNJDVOP-AWEZNQCLSA-N 324.380 4.053 0 40 DIAB CCOC(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 45920054 HZNCTTIITYCNGO-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB Cc1ccc2nc(-c3cncc(Br)c3)sc2c1 45923507 BXCWPHMKYMRCBF-UHFFFAOYSA-N 305.200 4.429 0 40 DIAB O=C1CCCc2nc(-c3ccccc3Br)sc21 50329721 KFMDXWVXJKARCP-UHFFFAOYSA-N 308.200 4.092 0 40 DIAB in-vitro CCOc1cccc2cc([C@@H](C)NCc3cscn3)oc12 57627760 BTWZTICXUOYXJV-LLVKDONJSA-N 302.399 4.139 0 40 DIAB CN(Cc1ccccc1)C1=CC(=[N+]2CCCCC2)CC(C)(C)C1 58158308 WNMVXGAPMUPKLJ-UHFFFAOYSA-N 311.493 4.460 0 40 DIAB Cc1ccc(CN(CCc2ccccc2)C(=O)C2CCC2)s1 61091335 VGUHJOCONYAGDA-UHFFFAOYSA-N 313.466 4.428 0 40 DIAB Cc1cc(N)cc2nc(-c3ccc(Br)cc3)oc12 62562632 FIVUBPMAXKUYPV-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB COc1ccccc1CNC(=O)/C=C/c1cc2ccc(C)cc2o1 67339804 CJUNAXLSGSLKPW-MDZDMXLPSA-N 321.376 4.079 0 40 DIAB Cc1nnc([C@@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)o1 72281414 DXBAFVAEEMVLIX-CQSZACIVSA-N 322.412 4.188 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cnc(-c2ccccc2)s1 76221912 RHSWFEGWSGJRDO-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)Cc1ccon1 96468543 UPPYUPYHUKFDAZ-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216804806 KZXGPXRUTQWEFI-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CC(C)c1ccc(CCCNC(=S)Nc2ccncc2)cc1 225807798 JTKVOVIFCNTUFI-UHFFFAOYSA-N 313.470 4.124 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 225874449 NLOVLHMLJHSJOI-GFCCVEGCSA-N 319.807 4.461 0 40 DIAB CC(=O)N(c1ccccc1O)c1cnccc1Oc1ccccc1 247905278 CAJZEUJTBNLSGP-UHFFFAOYSA-N 320.348 4.264 0 40 DIAB Cc1ccc2nc(SC(=O)c3ccc(Cl)cc3)[nH]c2c1 408625443 YFOOZLUGUXTUMC-UHFFFAOYSA-N 302.786 4.457 0 40 DIAB CC(C)C[C@@H]1CCCCN1Cc1c(Cl)cccc1C(=O)O 573974977 HMCVKFOYTYTPQJ-ZDUSSCGKSA-N 309.837 4.439 0 40 DIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccs1 103588 NWMMGIPXVZNWHD-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB O=C(O)CCSc1nc2ccccc2n1C1CCCCC1 267144 QPHBYFQFLMXRFV-UHFFFAOYSA-N 304.415 4.108 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)Oc2ccc(F)cc2)ccc1Cl 464917 JZLGSWIDSYFOJJ-NSHDSACASA-N 308.736 4.160 0 40 DIAB Cc1ccc(C(=O)Nc2cccc([C@@H](O)c3ccccc3)c2)cc1 482095 CVWCFLJVTABREW-FQEVSTJZSA-N 317.388 4.329 0 40 DIAB CCCCCC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1 2373721 DCUBSJDFLQBTSL-UHFFFAOYSA-N 323.396 4.215 0 40 DIAB COc1ccc(C)c2sc(NC(=O)C3CCCCC3)nc12 2713922 ONUIASSIERJVNF-UHFFFAOYSA-N 304.415 4.132 0 40 DIAB O=C(O)CC1(CC(=O)Nc2cccc(Cl)c2)CCCCC1 3264370 JFDPVSSDCYRFAN-UHFFFAOYSA-N 309.793 4.094 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NC2CCCCCC2)c1 3362670 YUOCMBQQXFREIT-UHFFFAOYSA-N 303.446 4.336 0 40 DIAB c1ccc(C2=NN[C@@H]3c4ccccc4-c4ccccc4N3C2)cc1 3954445 FAYPZHNTUGZDIX-NRFANRHFSA-N 311.388 4.180 0 40 DIAB in-vitro O=C(NCCc1ccccc1)C1c2ccccc2-c2ccccc21 4107009 XOOBEYDFZRCLSE-UHFFFAOYSA-N 313.400 4.158 0 40 DIAB CC(C)N1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 4545305 YOYJVYFTZPPAGG-GXDHUFHOSA-N 303.427 4.429 0 40 DIAB Cc1nc(NCCc2ccccc2)c2oc3ccccc3c2n1 5219197 GSTOGURAJLSWLR-UHFFFAOYSA-N 303.365 4.339 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F 5583749 LTNYCPPHZJETTB-UHFFFAOYSA-N 318.657 4.145 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 6757984 HUHIHXIVLUSSHE-UHFFFAOYSA-N 306.365 4.240 0 40 DIAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1 8060379 INJMMNBTGICPOK-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB Cc1ccc(F)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 8705201 PLWKICYXBPUOQS-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)c1ccc(Cl)c(Cl)c1 8715552 KGVSNENHIDVPNE-ZJUUUORDSA-N 301.169 4.067 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)cc2c1C 9548507 NCMJKHWOUKMNNC-NVXWUHKLSA-N 310.441 4.437 0 40 DIAB COc1cccc(/C=C/C(=O)O)c1OCc1ccc(Cl)cc1 11822297 BCIJYKCJLMKEPP-JXMROGBWSA-N 318.756 4.025 0 40 DIAB O=C(NCc1cc(-c2ccccc2)on1)c1cc2ccccc2o1 12235465 JOHKQAMZBLUCBG-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1 13670619 DCWWVHIRWBVFQX-OAHLLOKOSA-N 311.425 4.414 0 40 DIAB O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(F)cc1 15016057 GXKFTGCVCJWJET-QPEQYQDCSA-N 318.145 4.081 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 15079624 MCIGVLPMMMQGKO-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB COc1ccc(SCC(=O)Nc2cccc(SC)c2)cc1 15519607 DAMCITPSPVOUHZ-UHFFFAOYSA-N 319.451 4.148 0 40 DIAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccccc1Cl 16449334 FOBCXOHNMVQUHV-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB c1ccc(-c2nc3ccccc3nc2CN2CCCCC2)cc1 16492028 FOLPROHTKZCZHU-UHFFFAOYSA-N 303.409 4.283 0 40 DIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N)cc1C 19736347 OCXLAAZRBNWRNU-ZDUSSCGKSA-N 312.413 4.108 0 40 DIAB CN(CCC(=O)Nc1cccc2ccccc12)C1CCCCC1 22197565 JJIALZFMWMVORD-UHFFFAOYSA-N 310.441 4.433 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)cc1C 22317846 INMPKJHTHSLBKR-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB Cc1ccn(-c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 28219889 VKGQPHLVKWGZCS-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)s1 28303941 XQCYCNNPLASKMW-CQSZACIVSA-N 310.422 4.338 0 40 DIAB Cc1cccc(N[C@H](C)C(=O)NCCC2=CCCCC2)c1C 28744050 ZWDOCAXAYZNTJP-MRXNPFEDSA-N 300.446 4.111 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 30859720 PBFPNZYRHGTVIU-UHFFFAOYSA-N 308.208 4.195 0 40 DIAB CCONC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 32848366 MGMOBFXXCXRKHH-UHFFFAOYSA-N 324.405 4.158 0 40 DIAB C[C@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1 40062477 YBHXDNNKXFRIBD-HNNXBMFYSA-N 324.424 4.447 0 40 DIAB Cc1ccc(CCC2CCN(C(=O)Nc3cccnc3)CC2)cc1 58423574 FLEUDZZXMQNCMQ-UHFFFAOYSA-N 323.440 4.267 0 40 DIAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3)c2)c(C)c1 64580893 AVFAIVRGSNGBEG-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Cc1c(F)cccc1NC(=S)Nc1ccc(N(C)C)cc1 71760529 FLEIPMBSBNTNRU-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72348583 OSSOYFJZFLBUOO-HNNXBMFYSA-N 300.833 4.135 0 40 DIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccsc1 96759080 DMIGTNVLLYBWPO-XFFZJAGNSA-N 314.797 4.056 0 40 DIAB CCCSc1nnc(C)c(/C=C/Nc2ccc(Cl)cc2)n1 100185992 BUZOJPYSFJFREV-CMDGGOBGSA-N 320.849 4.418 0 40 DIAB CCNC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 212692659 JCLNOKIPQVGKST-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB O=C(NCCCc1ccc(F)cc1)Nc1cccc(Cl)c1 222629002 WOEIPRBJQNSELJ-UHFFFAOYSA-N 306.768 4.233 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2ccc(OC3CSC3)cc2)c1 225053004 IHGBOWNBYCQGFP-UHFFFAOYSA-N 313.422 4.050 0 40 DIAB CCCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225627760 IRJCEMAYJZDCFG-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OCC)cc2)CCCCC1 225656342 HUQHBYIHZSHBIT-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB Cc1cccc(C2(NC(=S)Nc3ccncc3)CCCC2)c1 225874288 NGXOIKIMGIRREJ-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CC(C)[C@H]1CCCC[C@H]1NC(=S)c1nc(Cl)c(Cl)[nH]1 255188956 MTYNSTGPOLPLHR-RKDXNWHRSA-N 320.289 4.196 0 40 DIAB Oc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCCC3 408994396 ZLEQYQVRRMMDBK-UHFFFAOYSA-N 312.394 4.038 0 40 DIAB Cc1ccccc1[C@H]1CCCN1Cc1ccc2c(c1)ncn2C 539409676 SXGOFVVNTRUKIR-LJQANCHMSA-N 305.425 4.219 0 40 DIAB COC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 143463 NJQBXJRIJXWMSL-UHFFFAOYSA-N 311.381 4.023 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 309400 BGLRYPKWFGDVHV-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB Cc1nc(Cl)sc1C(=O)Oc1ccc2ccccc2c1 385416 IHDXLUBKRSJQBI-UHFFFAOYSA-N 303.770 4.477 0 40 DIAB Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 386987 TZVOHUOWCRKMGJ-UHFFFAOYSA-N 308.364 4.113 0 40 DIAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H]1CCCCN1 1543424 QKZSZFVFMKGBCO-QGZVFWFLSA-N 317.325 4.437 0 40 DIAB CCNc1nc(Cl)nc(C(Cl)(Cl)Cl)c1Cl 1757517 JZFWWELARDHFGT-UHFFFAOYSA-N 309.411 4.042 0 40 DIAB CCCCOCCCNc1ncnc2c1[nH]c1ccc(C)cc12 2407345 VBEVOUSUVADSTH-UHFFFAOYSA-N 312.417 4.038 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCCc2ccccc21 2630184 ITXUHRYENNJKAK-MRXNPFEDSA-N 315.800 4.156 0 40 DIAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc[nH]1 2637717 CQLTWBRLZUENRO-UHFFFAOYSA-N 320.723 4.057 0 40 DIAB CCc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)c1 4852743 UNAAGLRZOSJFIP-LPHOPBHVSA-N 308.381 4.019 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1C 7951122 UXGIPQKTBAGACU-UHFFFAOYSA-N 308.425 4.085 0 40 DIAB Cc1csc(NC(=O)c2ccc(C3SCCS3)cc2)n1 7968943 LQYLUPWMASMPBF-UHFFFAOYSA-N 322.480 4.182 0 40 DIAB O=C(NCCc1ccccc1)c1ccc(-c2ccccc2F)o1 7987479 WDVFZUTWOFBQRJ-UHFFFAOYSA-N 309.340 4.058 0 40 DIAB O=C(c1cc2c(F)cccc2s1)N1CCc2ccccc2C1 8744875 SPPSONLHSNUHSX-UHFFFAOYSA-N 311.381 4.239 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccccc1 9895538 MCYKJBWDGLFEET-HXUWFJFHSA-N 318.420 4.464 0 40 DIAB CCc1cc2c(Nc3ccc(N(C)C)cc3)nc(C)nc2s1 9970666 DCAPVMXEYBFFOS-UHFFFAOYSA-N 312.442 4.372 0 40 DIAB C[C@H](NC(=O)c1cccc2ncccc12)c1ccc(Cl)cc1 10087182 YOVGYYYDFVVERN-LBPRGKRZSA-N 310.784 4.379 0 40 DIAB c1ccc(-c2nn3c(-c4cccnc4)nnc3c3ccccc23)cc1 12390067 VUBCQYQUGJMGRP-UHFFFAOYSA-N 323.359 4.007 0 40 DIAB Cc1cccn2cc(COC(=O)c3cc4ccccc4s3)nc12 12535473 UWSCMZJEOKOMRV-UHFFFAOYSA-N 322.389 4.214 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1c[nH]c2ccccc12 12805955 LHXGKWMVKDZICB-MRXNPFEDSA-N 308.406 4.135 0 40 DIAB Cc1nc(NN2CCCCC2)c2c(-c3ccccc3)csc2n1 13096536 YXMLJAPUMBBCNN-UHFFFAOYSA-N 324.453 4.480 0 40 DIAB O=C(c1ccc(COc2ccccc2)o1)N1CCc2ccccc21 13985497 BIGWVFVQXYMCAI-UHFFFAOYSA-N 319.360 4.062 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 20457242 HVIFMJDZLXFFGR-QGZVFWFLSA-N 311.425 4.004 0 40 DIAB COCc1cccc(N[C@H](C)c2nnc(-c3ccccc3)o2)c1 28371740 RTFOXZPCVAJXIA-CYBMUJFWSA-N 309.369 4.056 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 32854045 AXRUABCXTZTSME-QGZVFWFLSA-N 320.396 4.240 0 40 DIAB CC(C)Sc1ccc(CC(=O)NCc2ccsc2)cc1 38586334 CRKOEKIRHSQGKG-UHFFFAOYSA-N 305.468 4.108 0 40 DIAB COc1cccc(SCc2noc(-c3ccc(F)cc3)n2)c1 40057498 VSSSHALCFOOVFX-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB CC(C)OCCCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 40068874 GRYIHAXYGWZORU-HNNXBMFYSA-N 314.429 4.015 0 40 DIAB CC(C)CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 43675497 HBWCLAAJBLXHIF-CQSZACIVSA-N 319.449 4.227 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 48230444 AWEGSVQLMQFKNE-SNVBAGLBSA-N 320.742 4.455 0 40 DIAB C[C@@H](C1CC1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 58439209 MFOOUNWMMCYLTJ-JTQLQIEISA-N 320.845 4.334 0 40 DIAB Cc1cc(N)c2oc(-c3ccc(Br)cc3)nc2c1 62562630 IAELONSXRBYPFZ-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB COc1cccc(Nc2ccnc3cc(OC)c(OC)cc23)c1 65005264 XRZMFQQRICVCID-UHFFFAOYSA-N 310.353 4.004 0 40 DIAB CCn1c([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)nc2ccccc21 69514619 FJKAGFYSRFYPFS-YJBOKZPZSA-N 323.440 4.076 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1NC1CCC1 72213906 UHCMYHIMYHNNKH-SFHVURJKSA-N 321.424 4.023 0 40 DIAB Cn1c(C(=O)Nc2ccc3[nH]ccc3c2)cc2cc(F)ccc21 72404016 VDXKSBZONOJZSA-UHFFFAOYSA-N 307.328 4.051 0 40 DIAB CC(C)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccn1 76453009 GMTXKGOKAOYMMR-HNNXBMFYSA-N 324.758 4.140 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nc3ccccc3o1)C2=O 100928281 ZRDLWQKYARPLAE-LGFNAOKASA-N 301.411 4.314 0 40 DIAB CCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OC 108014996 ULIJOJREUMZJGJ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)NCC2CCCCC2)cc(C)c1Cl 224140103 WJTSEAUNDBNINS-AWEZNQCLSA-N 323.864 4.421 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225617477 NXZKJAKWNRZTNG-KSSFIOAISA-N 307.434 4.398 0 40 DIAB Cc1cccc(C)c1NC(=O)c1snnc1-c1cccs1 225787753 OBAICHXHFGDPAQ-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CC(=O)OC(C)(C)C(=O)c1ccc(-c2ccccc2)c(F)c1 575357258 ADYLIRWUWCJNIH-UHFFFAOYSA-N 300.329 4.017 0 40 DIAB CC(C)CCOc1ccc(C(=O)CCN2CCCCC2)cc1 340683 QXCGBYNEYRXFEK-UHFFFAOYSA-N 303.446 4.170 0 40 DIAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 365085 DBPOVYRITHHGRH-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccco2)on1 425679 WAKDFUVTMCWFBT-UHFFFAOYSA-N 323.135 4.494 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 579741 FEJBQYHIZUJTOG-JTQLQIEISA-N 310.180 4.399 0 40 DIAB COc1ccc2c(CNc3ccc(C)cc3C)cc(=O)oc2c1 2125110 ARPJSSAQFGBMGD-UHFFFAOYSA-N 309.365 4.031 0 40 DIAB biogenic CN(C)CCC[C@@](C)(O)[C@@H](Cc1ccccc1)c1ccccc1 2187349 VOSQYSATOBJONB-LEWJYISDSA-N 311.469 4.106 0 40 DIAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCCC1 2515569 UQTVSKMPGZXHKZ-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB CCOc1ccc(OCCC(=O)Nc2ccc(Cl)cc2)cc1 3549446 QFPRLTKTTHKDIU-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1F 5680536 MOJMLPVJRKGZHE-RMKNXTFCSA-N 320.161 4.240 0 40 DIAB Cc1cc(C)n(-c2nc3ccccc3nc2Cc2ccccc2)n1 5697920 ZSSYGTZMTUWITI-UHFFFAOYSA-N 314.392 4.023 0 40 DIAB Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)s1 6279122 UVWOYYCBMBSVRG-UHFFFAOYSA-N 308.406 4.164 0 40 DIAB CS[C@@H](C(=O)O)c1cc(-c2c(Cl)cccc2Cl)no1 6425280 UGASFHWHGCTSCA-LLVKDONJSA-N 318.181 4.137 0 40 DIAB O=C(c1ccccc1)c1ccc(OCC(=O)c2cccs2)cc1 6910416 RRKGHJOWHFPTQE-UHFFFAOYSA-N 322.385 4.241 0 40 DIAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(F)c2)c1 7208957 BBLRLWBXDKQLMR-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB CCCCCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 7389340 XUEQRTQWIYUYGM-UHFFFAOYSA-N 323.396 4.086 0 40 DIAB Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)c(C)c1 7595988 QVLNKAXTSATIIG-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB CCN(C(=O)[C@@H]1CC=CCC1)c1nc2c(C)cccc2s1 7719546 PIIGNLBHFPPSHY-CYBMUJFWSA-N 300.427 4.314 0 40 DIAB O=C(c1c2c(nc3ccccc13)CCCC2)N1CCCCCC1 7780325 LFNZOJSYUITZFS-UHFFFAOYSA-N 308.425 4.130 0 40 DIAB COc1ccccc1N(C(=O)Nc1ccc(C)cc1)C1=NCCC1 10166029 KWOCXBHPUYCHPQ-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB CC1(C)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2O1 10542953 SJZYHKVSCFPKCR-OAHLLOKOSA-N 315.800 4.372 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 12556233 MQGXHBCGCDCTKM-CQSZACIVSA-N 324.424 4.013 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)CCOc1ccccc1 12936135 KZCOWCOPUZSPOQ-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB Cc1cc(C(=O)NCCCO[C@@H](C)c2ccccc2)sc1C 12971555 QVOMCUFLLKDJOH-AWEZNQCLSA-N 317.454 4.263 0 40 DIAB CCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 13456746 DSXJJVAVIOTERY-SREVYHEPSA-N 314.381 4.282 0 40 DIAB CC(/C=C1\N=C(c2ccccc2Cl)NC1=O)=C\c1ccccc1 16136535 CGRVQHBWPQGRDH-YMGXUNRSSA-N 322.795 4.204 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccnc1 20482946 LSFBUFWSOWPMQS-SFHVURJKSA-N 306.365 4.031 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H]1c1ccccc1 22328557 BYQZVXPXOVTQJH-INIZCTEOSA-N 303.764 4.456 0 40 DIAB CC[C@@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1 29280074 DUGYSSUKMGOBSX-QGZVFWFLSA-N 305.381 4.209 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 30872167 SJCZVODFXHHZON-OQRGYWNNSA-N 309.409 4.203 0 40 DIAB Cc1ccc2c(CNc3cc(F)ccc3F)cc(=O)oc2c1C 40007964 LQJFFJMUFDLQMT-UHFFFAOYSA-N 315.319 4.300 0 40 DIAB O=C(NC(C1CC1)C1CC1)c1ccc(SC(F)(F)F)cc1 40039666 MCKGHAYGQOHPBQ-UHFFFAOYSA-N 315.360 4.217 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 44901697 JKULXNQGTCSCPD-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB Cc1ccc(C)c(C[S@@](=O)Cc2nc3ccccc3s2)c1 57991767 GHFDIEKURGPLTR-NRFANRHFSA-N 315.463 4.362 0 40 DIAB CCCN(C)c1ccc(C(=O)N[C@@H](C)c2cccc(F)c2)cc1 58305528 ASDDBDLWFLLCMV-AWEZNQCLSA-N 314.404 4.163 0 40 DIAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 70462826 SGGURKNOLUUFLX-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CC(=O)N1CCC[C@H](c2cccc(-c3ccccc3Cl)n2)C1 72357556 SGXFQDJPFRJSKG-AWEZNQCLSA-N 314.816 4.128 0 40 DIAB CC[C@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1 84734715 QPIGEAFKQINFEQ-XXBNENTESA-N 324.449 4.272 0 40 DIAB CC(C)c1ccc([C@@H](C)Oc2ccc(N(C)C(N)=O)cc2)cc1 95941897 OFHBKULXIALBIN-CQSZACIVSA-N 312.413 4.465 0 40 DIAB CC1(C)CCC(N[C@@H](Cc2ccncc2)C(F)(F)F)CC1 95968499 XKIUDMVJMXZFNV-AWEZNQCLSA-N 300.368 4.113 0 40 DIAB Cc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 98072757 TYXCTRHZBUPEHB-UHFFFAOYSA-N 314.186 4.005 0 40 DIAB Nc1cc(Br)cc(-c2nc3ccccc3s2)c1 166681998 GKQTWOGQNWSLCJ-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCCc2ccccc21 216246903 UVEPXUFACFOXMX-IBGZPJMESA-N 323.436 4.440 0 40 DIAB CCc1ccccc1C[C@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225040221 YAPPGSASMLCBLF-KRWDZBQOSA-N 318.800 4.286 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)NCCc1ccccc1 225343517 KNDCNPOTPUFTDT-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB CCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCC)c(C)c1 225907481 HNVWRNQHJNBIKB-GOSISDBHSA-N 322.449 4.103 0 40 DIAB Cc1cccc(-n2ncc3c(NC4CCCCCC4)ncnc32)c1 426469 OKOFUTGEKUGDDL-UHFFFAOYSA-N 321.428 4.259 0 40 DIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COc2ccc(Cl)cc2)C1 473052 UCCJILGZCPQSDC-KSSFIOAISA-N 321.848 4.146 0 40 DIAB O=C(/C=C/C=C/c1ccccc1)Nc1nc2c(s1)CCCC2 1786336 GHFRBCGXKQXAQC-GODDPXKCSA-N 310.422 4.230 0 40 DIAB O=C(CSc1ccccc1)Nc1cccc(C(F)(F)F)c1 3325546 UECQRNPOVKXVGV-UHFFFAOYSA-N 311.328 4.436 0 40 DIAB O=C(Cc1csc(-c2ccccc2)n1)NCC1CCCCC1 3344355 ZTMVWLSQHNGZNS-UHFFFAOYSA-N 314.454 4.049 0 40 DIAB Brc1cccc(CSc2nc3ncccc3[nH]2)c1 5458421 PRJPSNHKFPDYSU-UHFFFAOYSA-N 320.215 4.013 0 40 DIAB CCOc1ccc(OCC)c(NC(=O)c2ccc(Cl)cc2)c1 5673337 AORWMHXADXEHSQ-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB COc1cc(CN[C@@H]2CCSc3ccccc32)cc(OC)c1 8329005 RKASSCYNURAJEG-QGZVFWFLSA-N 315.438 4.031 0 40 DIAB O=C(c1ccccc1Cl)N(Cc1ccco1)c1ccccn1 8586555 XRCJBWZEBSXOAC-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)Nc1nc2ccccc2s1 9962280 BLSUOFPOIULSTA-GFCCVEGCSA-N 311.410 4.487 0 40 DIAB CCn1c(NC(=O)c2ccc(OC(C)C)cc2)nc2ccccc21 10237350 DRZCYDAPGRKXJO-UHFFFAOYSA-N 323.396 4.096 0 40 DIAB CC(C)c1ccc(CCC(=O)Nc2ccc(C(=O)O)cc2)cc1 10328659 RVAMWIWZMSQDTO-UHFFFAOYSA-N 311.381 4.080 0 40 DIAB O=C1N[C@H](c2ccc(-c3ccc(F)cc3)s2)Nc2ccccc21 10950933 CKDMQOUAKJMMLO-QGZVFWFLSA-N 324.380 4.408 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 11554036 CAAAECPOKVRTTH-UHFFFAOYSA-N 305.736 4.081 0 40 DIAB Cc1cccc(N[C@H](c2ccc(C(C)C)cc2)P(=O)(O)O)c1 12526546 XNJSPVRQWUYJHT-KRWDZBQOSA-N 319.341 4.407 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 13856387 RPWMZIXVNIVNQK-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CC(=O)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 14258080 VRRFLXUDXWQQGV-UHFFFAOYSA-N 300.745 4.415 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 15519653 IDCYEXQNHLBQQV-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB Fc1ccccc1COc1ccc(Cl)cc1CNC1CC1 16449936 UHLPUTYVVHGMKV-UHFFFAOYSA-N 305.780 4.310 0 40 DIAB CC[C@@H](C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)c1ccccc1 16694493 WIFHAFODCFZSSN-KUHUBIRLSA-N 321.424 4.009 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C 22006559 KMRRSZRBKNWLFC-SJLPKXTDSA-N 310.441 4.065 0 40 DIAB C[C@@H]1CN(C[C@@H]2CCCCCCCCCCC2=O)C[C@@H](C)O1 31723550 KSYWAODCCAPCLX-KURKYZTESA-N 309.494 4.196 0 40 DIAB C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccc(Cl)cc1 31881294 GYWGMBVOZPGPMX-NSHDSACASA-N 323.770 4.428 0 40 DIAB C[C@@H]1Oc2c(C(=O)Nc3cccc4cccnc34)cccc2[C@H]1C 32820218 YOTPAIYBUWDRQD-STQMWFEESA-N 318.376 4.372 0 40 DIAB Cc1ccc(-c2csc3c(=O)n(CCC(C)C)cnc23)cc1 38487458 IVNLAQWSLMEPQV-UHFFFAOYSA-N 312.438 4.480 0 40 DIAB Cc1ccccc1NC(=O)N(C)Cc1ccc(Br)o1 43135018 MPYNPHCSDVKERV-UHFFFAOYSA-N 323.190 4.014 0 40 DIAB CCOC(=O)CCCCCC(=O)c1cc(F)c(F)cc1Cl 43214397 LMXVHUKVKJRHBL-UHFFFAOYSA-N 318.747 4.315 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)NCCC2=CCCCC2)c1 44106516 XMSRZBURXPDQDP-UHFFFAOYSA-N 315.417 4.047 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(OC)cc1 44900643 QWPWPFDFCZJJSN-MRXNPFEDSA-N 315.438 4.298 0 40 DIAB O=C(NCc1cccs1)Nc1ccccc1SC(F)F 47466434 RAQPZIHREXOUIP-UHFFFAOYSA-N 314.382 4.385 0 40 DIAB CCCOc1ccc([C@@H](C)NC(=O)c2ccsc2)cc1OC 48501027 JIGGSVOFKHKXDM-GFCCVEGCSA-N 319.426 4.037 0 40 DIAB Cc1nccn1-c1ccc(CNc2nc3ccccc3o2)cc1F 58413084 LCXDUXAISGDSOQ-UHFFFAOYSA-N 322.343 4.073 0 40 DIAB CCCn1c(SCc2ccccc2C)nc2ccccc2c1=O 59094188 ZABQVNZWDSXTME-UHFFFAOYSA-N 324.449 4.407 0 40 DIAB COc1ccc(N[C@H](C)c2nnc(C)o2)cc1Cc1ccccc1 71902393 SWPXIZOBEJDEAX-CYBMUJFWSA-N 323.396 4.151 0 40 DIAB Cc1csc(C2(NC(=O)[C@H](C)c3cccs3)CCCC2)n1 78121236 MXSUCWUHOGPFIO-GFCCVEGCSA-N 320.483 4.202 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 78579369 IDQDQZFTMZCGIP-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB C[C@@H]1CC(C)(C)c2ccccc2N1Cc1nccn1C(F)F 96002343 LYQBEAGSZUJGPM-GFCCVEGCSA-N 305.372 4.355 0 40 DIAB CC1(C)CCc2ccccc2[C@@H]1NC1CCN(CC(F)F)CC1 97033756 NWXJMWPDVBVHIW-SFHVURJKSA-N 322.443 4.019 0 40 DIAB Cc1cc(C(=O)O)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 216726593 ALEMXQARPOFKEQ-UHFFFAOYSA-N 312.365 4.344 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608650 PSOPOEYKCMCRJG-SFHVURJKSA-N 307.434 4.092 0 40 DIAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CC1CCCCC1 409123086 DRHSXOWHISATGG-XNTDXEJSSA-N 319.401 4.442 0 40 DIAB O=C1c2ccccc2C(=O)N1Sc1cc(Cl)ccc1Cl 497163 KPSSHPJZTYSEAP-UHFFFAOYSA-N 324.188 4.297 0 40 DIAB CC(C)(C)[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 534246 VFGRIFARWUEUKG-UHFFFAOYSA-N 310.248 4.451 0 40 DIAB CC[C@@H](c1ccc(OC)cc1)[C@@](O)(CC)c1ccc(OC)cc1 1640779 SVTHZCYFDSJXPQ-VQTJNVASSA-N 314.425 4.495 0 40 DIAB COc1cccc(NC(=O)CCCOc2ccc(C)cc2C)c1 1913906 UWOWVVYPPLNCRS-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2ccc(C)cc2C)cc1 2517483 HHKDXRRCFCPVPB-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1sc(NC(=O)C(F)(F)F)nc1-c1cccc(Cl)c1 2888727 FPDXWKHTXYZUQP-UHFFFAOYSA-N 320.723 4.273 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)c(C)c1 3330294 BSGHWDPDOVJABQ-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB Cc1ccc(NC(=O)CNc2cccc3ccccc23)cc1F 3441284 VTJNNVATGBFLLM-UHFFFAOYSA-N 308.356 4.338 0 40 DIAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3cccs3)c2c1 4599808 DCRGSCFJKCUWET-UHFFFAOYSA-N 312.438 4.014 0 40 DIAB COCCSc1ccccc1C(=O)N[C@H](C)CCCC(C)C 4649115 WCBFPZMNZQILFX-OAHLLOKOSA-N 323.502 4.370 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 5292727 AWNAEZQMYTZCIB-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CC[C@@H](C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 6753138 PMZYNPMJXVPNIZ-OAHLLOKOSA-N 321.424 4.012 0 40 DIAB Cc1cnc(NC(=O)c2ccccc2Oc2ccccc2)s1 7060816 UGEMSPSODNAPMZ-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB CC[C@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699810 BUUHBWNAYROUSM-ZDUSSCGKSA-N 317.816 4.447 0 40 DIAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 8007481 BSHJXRPNBHAWNE-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)[C@@H](C)CC)C(=O)O 8732875 DVZFLLLAPXEAKB-SMDDNHRTSA-N 309.431 4.017 0 40 DIAB COc1ccccc1CNC(=O)CCc1ccc(C(C)C)cc1 10364517 ZOYAZGXBBNDYQE-UHFFFAOYSA-N 311.425 4.068 0 40 DIAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)C1CCCCC1 12154137 NVXOUZQFXIRZBR-HNNXBMFYSA-N 323.868 4.098 0 40 DIAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OC(C)C 12401631 VPQQUCWVYCDMOV-LBPRGKRZSA-N 317.410 4.018 0 40 DIAB Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1C 12556344 VLIGHWXFKDHGHZ-UHFFFAOYSA-N 323.421 4.404 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 12770808 HTDNUBZIWBEVFT-PXRVVVIRSA-N 311.381 4.372 0 40 DIAB O=C(NCCCCOc1ccccc1)c1ccc(F)cc1Cl 14161230 ZUOHVVLAYKSNDT-UHFFFAOYSA-N 321.779 4.068 0 40 DIAB Cc1c(C)c(C)c(C(=O)CSc2nncs2)c(C)c1C 14199121 LHOPDJJKVCYEIX-UHFFFAOYSA-N 306.456 4.055 0 40 DIAB Cc1ccc(NC(=O)NCCSCc2ccsc2)cc1 18177418 MBCJVAVEFFSHIV-UHFFFAOYSA-N 306.456 4.111 0 40 DIAB CC(C)(C)c1n[nH]c(SCc2cc(F)cc3cccnc23)n1 31620587 GGDWITQZVJBYLA-UHFFFAOYSA-N 316.405 4.082 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)c1cccs1 32201169 LJGFIOPKGDDHEI-JVFKPQOYSA-N 301.411 4.355 0 40 DIAB O=C(Nc1ccccc1SC(F)F)OCC(F)(F)F 32628876 QVBWTLPJKCENNA-UHFFFAOYSA-N 301.236 4.112 0 40 DIAB in-vitro COc1ccc(CNc2ccc(F)cc2)cc1Br 35038532 UFKOSPYCNHWBMZ-UHFFFAOYSA-N 310.166 4.209 0 40 DIAB COCCC[C@]1(c2ccccc2)Oc2ccccc2N=C1OC 35823946 AGRIYSKXHHAPIS-LJQANCHMSA-N 311.381 4.078 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCCc1nc(C(C)C)no1 40515706 DDKTVKMFURMNSV-UHFFFAOYSA-N 321.808 4.116 0 40 DIAB O=C(NCCC1=CCCCC1)c1cc(-c2ccc(F)cc2)c[nH]1 42384281 YNLZEEJBHSGRGK-UHFFFAOYSA-N 312.388 4.441 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1 48312042 ZFRSMKDKKIVYCQ-MRXNPFEDSA-N 310.784 4.239 0 40 DIAB Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1CC=CCC1 66554096 UDFPQKRBGLXRPH-AWEZNQCLSA-N 312.438 4.091 0 40 DIAB CC(C)Oc1cc(C(=O)NC2CCCCC2)cc2occc12 72240177 DKWCHPDPLLEOQK-UHFFFAOYSA-N 301.386 4.283 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc(F)cc1 72411079 ZJWACOPMFNITSG-CYBMUJFWSA-N 311.422 4.317 0 40 DIAB CC(C)(C)OC(=O)NCCCCCC(=O)c1ccc(F)cc1 75629576 PAHISZHEBZSWAE-UHFFFAOYSA-N 309.381 4.094 0 40 DIAB FC(F)Oc1cccc(-c2noc(-c3cccnc3Cl)n2)c1 89262770 UQZIVUMTJOTIOO-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB CN(C)c1sc(C(=O)c2cccnc2)cc1-c1ccccc1 95921793 MQUHZQAIANTAIE-UHFFFAOYSA-N 308.406 4.107 0 40 DIAB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 97165275 PBGSLYTYVRUBRQ-GOSISDBHSA-N 316.360 4.271 0 40 DIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)C1CCCCC1 222972200 UGFFWTPGACDWMV-LLVKDONJSA-N 322.246 4.307 0 40 DIAB CCCCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1 225127600 OYSVCDNACMSTJB-LJQANCHMSA-N 312.409 4.412 0 40 DIAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1OCc1ccccc1 247735109 KDIQITOWQMAWPZ-LNLFQRSKSA-N 321.420 4.184 0 40 DIAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2)O[C@@H]2CCC[C@@H]12 257248726 JEXMVGGPVUJCFJ-YLFCFFPRSA-N 321.848 4.111 0 40 DIAB O=C(NCC1(c2c(F)cccc2F)CCCC1)c1ccccc1 500150174 MJDWNKYSBKWABF-UHFFFAOYSA-N 315.363 4.207 0 40 DIAB CCC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C 575473148 IZHCBPDWNMXIJU-UHFFFAOYSA-N 311.381 4.017 0 40 DIAB CCOC1CC2(CCN(Cc3ccc(C(C)(C)C)s3)C2)C1 585084554 UUSDDWKZPFTYIK-UHFFFAOYSA-N 307.503 4.437 0 40 DIAB CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)CC3(F)F)cc1 650599570 UXPFOMKZYMZLIC-UHFFFAOYSA-N 307.384 4.246 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 2065809 HCGXNERQXYLYQM-UHFFFAOYSA-N 312.365 4.171 0 40 DIAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@H](CC)C2 2752616 SEBKFTAHSBLODE-NSHDSACASA-N 323.458 4.034 0 40 DIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(N(C)C)cc1 3367724 GPGOAYJJSCHJAH-UHFFFAOYSA-N 324.468 4.322 0 40 DIAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1 3561419 NFVUTFNRVCWNOV-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB O[C@](CCN1CCCCCC1)(Cc1ccccc1)c1ccccc1 6580880 WQEUYXOZRDYRAH-JOCHJYFZSA-N 323.480 4.383 0 40 DIAB COC(=O)c1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 7538695 VWKBFMIJUKSNQQ-UHFFFAOYSA-N 321.376 4.023 0 40 DIAB Cc1nc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2s1 8185744 ZYNOSYSBWJKIOI-UHFFFAOYSA-N 315.398 4.277 0 40 DIAB C[C@@H](c1ccccc1Cl)N1C(=O)NC2(CCCCCC2)C1=O 8882252 OCIMFUDBPASIMF-LBPRGKRZSA-N 320.820 4.046 0 40 DIAB COc1ccccc1-c1n[nH]c(-c2ccccc2OC)c1Cl 12357843 IXCUSEASJFSXHI-UHFFFAOYSA-N 314.772 4.414 0 40 DIAB O=C(NCCSCc1ccccc1F)c1cccc(Cl)c1 13675382 LESQJJRFCHOPCM-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 13736991 KAXQAXVKWBLJFJ-UHFFFAOYSA-N 324.258 4.078 0 40 DIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 14876758 PANBHYKUJKZXHG-UHFFFAOYSA-N 321.351 4.284 0 40 DIAB CC(C)(C)c1cc2nnc(-c3cc(F)ccc3F)n2nc1Cl 22053678 GZXWCQOQLLVREN-UHFFFAOYSA-N 322.746 4.020 0 40 DIAB in-vitro Cc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2C)c(C)c1 22185853 GIISPCNXOHTKQW-HNNXBMFYSA-N 313.466 4.443 0 40 DIAB Cc1ccc(C)c(Sc2ncccc2C(=O)N2CCCC2)c1 22505313 MYBUDAVGEJPMBZ-UHFFFAOYSA-N 312.438 4.086 0 40 DIAB C[C@H](Sc1ncc2ccccn12)C(=O)c1ccc2c(c1)CCC2 26371393 BKUGYLVDRLFBFL-ZDUSSCGKSA-N 322.433 4.187 0 40 DIAB O=C(O)c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)ccc1O 26543975 JRQWFUKEPPMDIK-UHFFFAOYSA-N 316.662 4.430 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CN 28294662 SNWGRADGFKNELG-BCPGGHEJSA-N 305.506 4.109 0 40 DIAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccncc1 30392309 IKVNSEYNTGYECD-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc(Cc2ccncc2)cc1 104495910 CYRXBNXWVLIHDR-QRVBRYPASA-N 320.436 4.437 0 40 DIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108924835 CQYWEMBOCPBRBK-YXMPFFBPSA-N 311.347 4.260 0 40 DIAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1 226349389 OMKPZLBEDDMJSU-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB O=C(CCc1ccc(F)c(Cl)c1)N1CCC(=C2CC2)CC1 238870360 MTEWXQNHUZEDGZ-UHFFFAOYSA-N 307.796 4.125 0 40 DIAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cc2ccccc2[nH]1 253471673 DXYYMYKGQKGTMU-CYBMUJFWSA-N 318.376 4.275 0 40 DIAB Cc1cc2cc([C@H](C)NCC(C)(C)CCCO)oc2cc1C 539038921 PHSUCXSFJYPTRS-HNNXBMFYSA-N 303.446 4.499 0 40 DIAB Cc1ccc2[nH]c(CNC[C@@H]3COc4ccccc43)cc2c1C 585083561 FRHLCICRHWBREI-OAHLLOKOSA-N 306.409 4.051 0 40 DIAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1 411220 LNGXYBVBEFQSBB-UHFFFAOYSA-N 323.421 4.116 0 40 DIAB CCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 535324 WEMOBKWXWYYAEQ-UHFFFAOYSA-N 322.408 4.018 0 40 DIAB CCOc1cccc2sc(NC(=O)c3cccs3)nc12 567752 IRLLWNWVBDMAIB-UHFFFAOYSA-N 304.396 4.009 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccccc2Cl)cc1 985356 AIKVJNMXSHIMGF-UHFFFAOYSA-N 302.805 4.439 0 40 DIAB O=C(Cn1c2c(c3ccccc31)CCCC2)Nc1ccc(F)cc1 2887314 FVKUAXJARHMCPY-UHFFFAOYSA-N 322.383 4.298 0 40 DIAB COc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 3210006 CTSFGCKCCDBXID-UHFFFAOYSA-N 324.814 4.272 0 40 DIAB Cc1ccc(C)c(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 3446424 LFLZJKJKCBHJJA-UHFFFAOYSA-N 318.372 4.496 0 40 DIAB C[C@@H]1CC[C@](C)(C(=O)CCOC(=O)c2ccccc2)C1(C)C 3846203 IPBDLLZTLRWMHS-AUUYWEPGSA-N 302.414 4.265 0 40 DIAB biogenic O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1 4138296 SQXWVERQJSRMCY-UHFFFAOYSA-N 319.408 4.368 0 40 DIAB O=c1oc(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3 7036894 FVPKDJYLYRUMRR-KHPPLWFESA-N 309.390 4.299 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cc(=O)c2ccccc2o1 7406828 AKBDKNJOKSKQEX-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB COC(=O)c1ccc(Oc2ccnc3cc(Cl)ccc23)cc1 8147939 GJCFRKUURPLNRC-UHFFFAOYSA-N 313.740 4.467 0 40 DIAB O=C(NCc1ccc(Cl)cc1)Nc1nc2ccccc2s1 10037116 SOMHXEWDSBPARQ-UHFFFAOYSA-N 317.801 4.271 0 40 DIAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccccc1F 14784321 NZNRRUQNMJLHEP-UHFFFAOYSA-N 316.401 4.076 0 40 DIAB FC(F)(F)c1ccc(NC(=S)NCCc2ccccc2)cc1 16237489 JPFXHQLDEQYXEI-UHFFFAOYSA-N 324.371 4.235 0 40 DIAB Fc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1 19334650 FZWKHHSJEGRKPE-HNNXBMFYSA-N 318.442 4.417 0 40 DIAB COC(=O)[C@@H](c1ccccc1Cl)N1CCCc2ccccc21 24224714 KCJPRLCVVCFSTK-QGZVFWFLSA-N 315.800 4.007 0 40 DIAB COC(=O)c1cc(Nc2cccc(Cl)c2)c2ccccc2n1 38486571 OTPUPGJSWHAAPT-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1C 40478322 UBZLJVDOZWPOHE-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB CCc1nc(CSCc2c(Cl)ccc3cccnc23)no1 67993741 PVPAREWSCJJRDK-UHFFFAOYSA-N 319.817 4.267 0 40 DIAB CC(C)Cc1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 69979342 MEZXRFWOPKLEDY-UHFFFAOYSA-N 320.820 4.018 0 40 DIAB CCN(C(=O)CCCc1ccccn1)[C@H](C)c1ccc(F)cc1 71903469 SKGPRSXTVJQVTQ-OAHLLOKOSA-N 314.404 4.153 0 40 DIAB CC(C)c1cnc(-c2ccc(NC(=O)Cc3cccnc3)cc2)o1 71909702 DWXRHGRZJGODJA-UHFFFAOYSA-N 321.380 4.041 0 40 DIAB Brc1ncccc1[C@H]1CCCN1Cc1ccccc1 72211600 MXEXISDTVUUKCH-OAHLLOKOSA-N 317.230 4.181 0 40 DIAB Cc1cc(C)cc(N(Cc2cc(C)no2)Cc2cc(C)no2)c1 73787763 OFMGLNSNWWSYJA-UHFFFAOYSA-N 311.385 4.103 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C)c1 113969827 HQHYUBZNWYZUBO-SFHVURJKSA-N 311.425 4.086 0 40 DIAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 169942552 WZBSDIUWUAVBRN-UHFFFAOYSA-N 313.372 4.285 0 40 DIAB CCc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225043927 WYGJODDJQHFREW-FQEVSTJZSA-N 320.388 4.477 0 40 DIAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)NCC)cc1 225493296 CCXVBUWVZKRIMO-UHFFFAOYSA-N 311.429 4.105 0 40 DIAB Cc1cccc(NC(=O)c2snnc2-c2cccs2)c1C 225787641 ZZAOYABUFUGIOI-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB NC(=O)/C=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 252508797 XUDYEWIUBKBCPR-ZZXKWVIFSA-N 315.678 4.117 0 40 DIAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(F)c(Cl)c1)OC2(C)C 257289578 PZGYRBVQVUTRMQ-PXLMAEHWSA-N 312.812 4.352 0 40 DIAB CCOC(=O)[C@H]1C(=C(C)C)[C@@]1(C)C(=O)c1ccc(Cl)cc1 108567 ONNCEAVOIAMVSY-RHSMWYFYSA-N 306.789 4.058 0 40 DIAB COc1cccc(-c2nc(-c3cc(C)nc4ccccc34)no2)c1 1423715 CEHIBCYIBTVOJY-UHFFFAOYSA-N 317.348 4.269 0 40 DIAB CCC[C@H](O)[C@H](CC)N[C@@H](Cc1ccccc1)c1ccccc1 1665867 WCMLBOIVUKMLBK-ACRUOGEOSA-N 311.469 4.500 0 40 DIAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 3191637 WVJIXLNZIMOQCA-DYVFJYSZSA-N 307.397 4.080 0 40 DIAB O=C(COc1ccccc1Cc1ccccc1)NC1CCCCC1 3451109 YEPCVNDGSPAQBR-UHFFFAOYSA-N 323.436 4.105 0 40 DIAB O=C(Cc1ccccc1)Sc1nccc(-c2ccccc2)n1 5946815 KKZBCUQCLOAXGL-UHFFFAOYSA-N 306.390 4.005 0 40 DIAB COc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F 6566673 QVILTBLFPZDWBC-UHFFFAOYSA-N 307.324 4.148 0 40 DIAB O=C(Nc1ccc2ncccc2c1)c1ccc(N2CCCC2)cc1 7383730 NXTQODXKOVMNCK-UHFFFAOYSA-N 317.392 4.087 0 40 DIAB CCc1ccc(NC(=S)NCc2ccccc2Cl)cc1 7528533 GJQDFTSWCBUAPD-UHFFFAOYSA-N 304.846 4.389 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)N3CCC(C)CC3)ccc2c1 7981075 YFKCFNDKFUZKLE-OAHLLOKOSA-N 311.425 4.210 0 40 DIAB O=C(c1csc(-c2cccs2)n1)N1CCc2ccccc21 8133659 FJFDAWBMXJKDQQ-UHFFFAOYSA-N 312.419 4.075 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 10294126 BKIJBDQGGDMDIY-AWEZNQCLSA-N 315.438 4.346 0 40 DIAB Cc1cc(C(=O)NC2CCCCCC2)c(C)n1Cc1ccco1 12818267 SLKSLQQJPQJPSY-UHFFFAOYSA-N 314.429 4.199 0 40 DIAB Cc1cccc2nc(-c3ccccn3)n(CCc3ccccn3)c12 13213017 HIWZAJACCOKWJB-UHFFFAOYSA-N 314.392 4.044 0 40 DIAB O=C(CCSCc1ccccc1)Nc1c(F)cccc1F 13688114 AKIPPFFEWJNEOZ-UHFFFAOYSA-N 307.365 4.227 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)NCC12CC3CC(CC(C3)C1)C2 14014132 IMMYLHCNFHWPQB-LFPRZYRFSA-N 324.468 4.364 0 40 DIAB O=C(NCC12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccs1 16778682 LKMPOLAGRXIPAY-RJAIZQQDSA-N 309.862 4.056 0 40 DIAB CC(=O)c1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1 18178956 SMOXMUZOLZQYCW-UHFFFAOYSA-N 302.761 4.495 0 40 DIAB COCCOc1ccccc1CNc1ccccc1OC(C)C 19737490 GRILWOMMXLUVDE-UHFFFAOYSA-N 315.413 4.111 0 40 DIAB CCN(Cc1ccccc1)c1ccc(Br)cc1N 20486168 GHOWWJYCGVYPLY-UHFFFAOYSA-N 305.219 4.058 0 40 DIAB Cc1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1 21799562 KKNBATINRAWWRR-UHFFFAOYSA-N 318.785 4.216 0 40 DIAB c1ccc2c(c1)oc1c(Sc3nccn3C3CC3)ncnc12 22137083 SIQLDUDCRBFABW-UHFFFAOYSA-N 308.366 4.059 0 40 DIAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc2ncccc12 23227816 DKDRIUJJJQLLEY-UHFFFAOYSA-N 324.355 4.170 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 27277917 YTVSILKTFCCTHG-QMTHXVAHSA-N 318.804 4.189 0 40 DIAB CCN(CNC(=O)c1ccccc1)c1cccc2ccccc12 39379260 LMXMIUYRLPSWCO-UHFFFAOYSA-N 304.393 4.054 0 40 DIAB O=C(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1 41127083 VMADIUPEUXGXEU-UHFFFAOYSA-N 322.433 4.128 0 40 DIAB Fc1ccc(NCc2c[nH]nc2-c2c(F)cccc2F)cc1F 95988521 CFNZLUGSICIEKZ-UHFFFAOYSA-N 321.277 4.245 0 40 DIAB Cc1cccnc1CSCc1csc([C@H]2CCCO2)n1 95991028 AKFDNYUEGGIFOY-CQSZACIVSA-N 306.456 4.131 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)CCc1c[nH]c3ccccc13)C2 102956422 GMTDNUUDMZFYMG-FQELHTAISA-N 324.468 4.432 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1cccs1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169682041 GCAODHPIRMXSSB-GATYQTQLSA-N 321.492 4.150 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1 225498866 IJLLMYZRNDTIEZ-IBGZPJMESA-N 309.409 4.362 0 40 DIAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccccc1 408827167 KKHPWTSIWZXNTQ-UHFFFAOYSA-N 323.421 4.410 0 40 DIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1cccs1 575618625 AFTJCNQBWVECNY-LLVKDONJSA-N 301.436 4.324 0 40 DIAB CC(C)C[C@H](N)COc1ccc(F)cc1Oc1ccccc1 585263902 DGNCVEFTRQFWDS-HNNXBMFYSA-N 303.377 4.370 0 40 DIAB O=C(O)c1cccc(Nc2ccc(-c3cccc(F)c3)cn2)c1 2362797578 KKOXSIYMBNNBQU-UHFFFAOYSA-N 308.312 4.330 0 40 DIAB C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1-c1ccccc1 411473 LEMNCDPTRIEGFF-QFBILLFUSA-N 322.452 4.460 0 40 DIAB Clc1c(CSc2nc3ccccc3o2)nc2ccccn12 499708 KJHWKDQUKVWXNT-UHFFFAOYSA-N 315.785 4.421 0 40 DIAB O=C(NCc1cccnc1)c1cc2sc3ccccc3c2s1 3238238 BJJKSAMLHZRXQO-UHFFFAOYSA-N 324.430 4.441 0 40 DIAB COC(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 5155613 LSIWVLPBKKFIQH-RUDMXATFSA-N 313.740 4.438 0 40 DIAB COc1cc(OC)cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1 5577679 UHIRVNYOEFJITR-UHFFFAOYSA-N 313.397 4.254 0 40 DIAB Nc1nnc(SCc2ccccc2Oc2ccccc2)s1 5636376 QOZAEOKAOMDGDC-UHFFFAOYSA-N 315.423 4.205 0 40 DIAB O=C1c2cccc3cccc(c23)N1CCOc1ccccc1F 6128194 SJVBHHGUOMJWKT-UHFFFAOYSA-N 307.324 4.018 0 40 DIAB O=C(NCc1ccc(F)cc1)c1sccc1-c1ccccc1 8315777 AXGDQMPNZXRYET-UHFFFAOYSA-N 311.381 4.484 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cccc(NC(C)=O)c1 9479377 XKIPMNVLAISRMS-UHFFFAOYSA-N 310.397 4.022 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3F)n[nH]2)cc1 9677787 FZQQOECERXTPPU-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB CCOc1ccccc1NC(=O)CCc1ccc(Cl)cc1 10412665 BDLWPOAKHSKGPS-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C)c1C 11636943 CFDKCVMFGXMUCO-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc2nc1C 12372667 QLTRCKARDKMNRT-ZNMIVQPWSA-N 309.413 4.011 0 40 DIAB COC(=O)c1c(Nc2ccc(C)cc2)sc2c1CCCC2 16293530 HCBWUWCLFMZWJV-UHFFFAOYSA-N 301.411 4.466 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl 20047477 WGENRDKYSSAQTG-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB O=C(CCc1ccsc1)Nc1cccc(Br)c1 21887316 JMKGKNJFAJWINL-UHFFFAOYSA-N 310.216 4.082 0 40 DIAB Cc1ccc2nc(Oc3ccc(Cl)c(Cl)c3)cc(=O)n2c1 24990812 MXOGWXQSIHPJOT-UHFFFAOYSA-N 321.163 4.102 0 40 DIAB CC[C@@H](C)NC(=O)Cn1c(-c2ccc(C)cc2)csc1=S 25377351 YLXOKIVQLXDJMP-GFCCVEGCSA-N 320.483 4.169 0 40 DIAB C[C@H]1C[C@@H]1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 27386601 KJYHOOMZMJIDSX-ZBEGNZNMSA-N 314.768 4.132 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 30756818 VLZDWUIALXYGQJ-KRWDZBQOSA-N 311.425 4.004 0 40 DIAB CCc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38833680 XHVHMBNGNUOVBD-UHFFFAOYSA-N 319.408 4.055 0 40 DIAB O=C(CSc1ccc(F)cc1)N(Cc1ccsc1)C1CC1 44446583 VTVQQPMGMSSLOW-UHFFFAOYSA-N 321.442 4.171 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)c(N)c2)c1 57340499 VCUZIPQJBUNOJL-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB CC[C@@H]1CCCCN1Cc1ncc(-c2ccc(OC)cc2)o1 60105679 OSTAULSTMSIVAC-OAHLLOKOSA-N 300.402 4.115 0 40 DIAB O=C(Nc1cccc(CSc2ccccn2)c1)N1CCCC1 69879182 TYOXDYFYOIUDLD-UHFFFAOYSA-N 313.426 4.002 0 40 DIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1Oc1ccccc1 72222115 UDRJQSIXGXZAAB-UHFFFAOYSA-N 314.385 4.207 0 40 DIAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(C)c1 75437306 JTVPZUFCHGJFNH-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB Cc1cc(-c2csc(NC(=O)c3ccoc3C)n2)c(C)o1 79852222 AYJYKXKJWTTZNJ-UHFFFAOYSA-N 302.355 4.174 0 40 DIAB FC(F)(F)CNCc1ccc(Br)c2ccccc12 85395146 OGXFOMWTCUMYGX-UHFFFAOYSA-N 318.136 4.254 0 40 DIAB Cc1nc(-c2ccco2)sc1CNC(=O)Nc1cccs1 90593461 RFTFJZLVMQNIIS-UHFFFAOYSA-N 319.411 4.095 0 40 DIAB Cc1nc(NC(=O)c2cc(-c3ccco3)cs2)sc1C 96183671 LKUBDJUPHNGAGV-UHFFFAOYSA-N 304.396 4.334 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100892278 LUYZKGYQJBGNGT-QZTJIDSGSA-N 319.832 4.372 0 40 DIAB Cc1cccc([C@@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)c1 102048202 UJLHEHJSCJIHPJ-IBGZPJMESA-N 316.408 4.259 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H](C)c1ccccc1 224437502 FFCTXUQTRBPYNU-VQIMIIECSA-N 311.425 4.072 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 224603026 VMPOCYAPUXRCKA-DLBZAZTESA-N 305.462 4.403 0 40 DIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225690334 JLFLVBHFRFHCQM-SFHVURJKSA-N 307.434 4.092 0 40 DIAB Cc1ccccc1C(=O)NCc1ccnc(-c2ccsc2)c1 225754102 DLYQWALSIURUEW-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226862292 FRLXBYGGJDEHCG-UHFFFAOYSA-N 323.417 4.048 0 40 DIAB CC(C)[C@@H]1CCCC[C@@H]1NC(=S)c1nc(Cl)c(Cl)[nH]1 255188955 MTYNSTGPOLPLHR-IUCAKERBSA-N 320.289 4.196 0 40 DIAB O=C(N[C@@H](c1ccsc1)c1cccs1)[C@@H]1CC=CCC1 575414672 IJMGLNFIARXHNR-DOMZBBRYSA-N 303.452 4.372 0 40 DIAB Cc1nc(-c2ccccn2)nc(N2CCC[C@H]2c2ccco2)c1C 604757900 NGHGZISUMPZXLY-INIZCTEOSA-N 320.396 4.090 0 40 DIAB O=C(NCCC1=CCCCC1)c1cccc(Br)c1 291630 IWTRAQNMHFDTST-UHFFFAOYSA-N 308.219 4.069 0 40 DIAB CC[n+]1c(/C=C/c2ccc(OC)cc2OC)ccc2ccccc21 5163601 PMZFTPMTPYFXPY-JLHYYAGUSA-N 320.412 4.335 0 40 DIAB O=C(NCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 5466790 GRLMMMADMSNOJC-UHFFFAOYSA-N 305.352 4.423 0 40 DIAB O=C(NCc1cccs1)Nc1cccc(C(F)(F)F)c1 6471635 BXEMBBWLPOYUPM-UHFFFAOYSA-N 300.305 4.089 0 40 DIAB CN(C)Cc1ccc(CNC(=O)CCCC2CCCCC2)cc1 6847227 ANOFNYBQULIXJV-UHFFFAOYSA-N 316.489 4.115 0 40 DIAB Cc1cc(C)cc(NC(=O)NCCCn2ccc3ccccc32)c1 9221045 SBRXUDCYRBBBEI-UHFFFAOYSA-N 321.424 4.470 0 40 DIAB Cc1cccc(OCC(=O)Nc2cccc(OC(C)C)c2)c1C 10156217 CGHWPXWDWNBPHK-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB COc1cccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2)c1 10166009 ZIKWFNOZVUYDDT-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 12546282 TTXSZPIUMBLQMQ-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB CC[C@H](C)[C@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 12743757 URHSHUWATLGRQD-LIRRHRJNSA-N 324.424 4.413 0 40 DIAB Cc1cc(C)cc(-c2ccccc2CC2(C(=O)O)CCOCC2)c1 12759892 ZGKPXCQUTOWLJS-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB Cc1cccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 12907301 LWDBBGCQPQJAKG-UHFFFAOYSA-N 308.381 4.307 0 40 DIAB Cc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 13670013 WMBNDUJNFUKTFI-JLHYYAGUSA-N 313.828 4.411 0 40 DIAB Cc1cc(C)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 14291479 SBAOTTIDUSSQDN-UHFFFAOYSA-N 323.845 4.207 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 15366683 BFAWJXKNZRWQIE-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB N/C(=N\Cc1ccco1)SCc1ccc(Cl)c(Cl)c1 15520172 SOXRDIZUZDBXTM-UHFFFAOYSA-N 315.225 4.335 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 15800424 DWBJIXZUCMHBNT-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB O=C1CS[C@H](c2ccccc2Cl)N1c1ccc(F)cc1 17197936 XJYLMYKDTUUHDF-OAHLLOKOSA-N 307.777 4.258 0 40 DIAB COc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)no2)cc1 20896733 HIEAKCAFLOYVCQ-UHFFFAOYSA-N 323.348 4.186 0 40 DIAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1 25533159 KEEIJRMVCOLNJV-UHFFFAOYSA-N 322.330 4.047 0 40 DIAB CN(Cc1ccccc1NC(=O)C1CCC1)C1CCCCC1 32876323 NQOSHJSHUSKSDF-UHFFFAOYSA-N 300.446 4.190 0 40 DIAB Cc1noc(C)c1CSCc1cn2cc(Cl)ccc2n1 36874590 ONRXKACQIUPVND-UHFFFAOYSA-N 307.806 4.026 0 40 DIAB C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)c(F)c1 40097609 IKSJNKBGNVIBLD-QMMMGPOBSA-N 312.266 4.126 0 40 DIAB O=C(Nc1cccc2c1CCCC2)N1CCc2ccccc2C1 40098220 TXJLUHWEJZSUHU-UHFFFAOYSA-N 306.409 4.156 0 40 DIAB CCc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478316 RJBFAEJLFYQIDI-UHFFFAOYSA-N 309.344 4.031 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)Cc1cccc2cccnc12 48323960 LJNZSTCVROQGGX-UHFFFAOYSA-N 324.811 4.089 0 40 DIAB CSC(SC)=C1CCC[C@H]2C1=NN[C@@H]2c1ccccc1 51329753 KZGYSMOCJQUBEP-TZMCWYRMSA-N 304.484 4.425 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc[nH]1 58104631 NFWCYUSAHMWWMT-IBGZPJMESA-N 321.424 4.182 0 40 DIAB COc1c(CN[C@@H](C)c2cc(C)sc2C)c(C(C)C)nn1C 58404215 AUVXCUSSIBIZGQ-LBPRGKRZSA-N 321.490 4.081 0 40 DIAB Cc1cc(N[C@@H](C)CCc2ccccc2)nc(-c2ccncc2)n1 60217753 QYWSQEGMIBJDLC-HNNXBMFYSA-N 318.424 4.280 0 40 DIAB CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 71405990 YFVLMDMKIYVMJP-UHFFFAOYSA-N 319.213 4.110 0 40 DIAB Brc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72211542 JUPLTAIGZMZQGA-OAHLLOKOSA-N 317.230 4.181 0 40 DIAB O=C(c1nccc2ccccc12)N(CCC(F)(F)F)CC1CC1 84281128 ZQDBUIUEYWWZJW-UHFFFAOYSA-N 322.330 4.039 0 40 DIAB CCCc1noc([C@H](C)Nc2ccc(N3CCCCC3)cc2)n1 84759045 VCBMOMOOUYMRSM-AWEZNQCLSA-N 314.433 4.186 0 40 DIAB O=C([C@@H]1CC=CCC1)N1CCC(CSCc2ccco2)CC1 85472477 CQKSMOKFQPGJRJ-MRXNPFEDSA-N 319.470 4.108 0 40 DIAB O=C(Nc1ccccc1)c1ccc(NCc2cscn2)cc1 195148691 FRSYJWUWKHECEM-UHFFFAOYSA-N 309.394 4.008 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1 195559881 KDXPRDVRXSGOII-TXDAXLQXSA-N 315.457 4.093 0 40 DIAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1CC1 225384664 QXJLPKIUIKZXKM-UHFFFAOYSA-N 317.772 4.489 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c2ccccc12 225839794 IOHHECBLTIMTPB-IBGZPJMESA-N 315.413 4.382 0 40 DIAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)c1 225931106 VHNHTVMMAWSZIF-UHFFFAOYSA-N 309.409 4.454 0 40 DIAB COC(=O)/C=C/c1ccc(-c2ccc(Br)c(C)c2)o1 226256573 DPFORPBUVLRIQS-VMPITWQZSA-N 321.170 4.204 0 40 DIAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257243337 IGMXGKAICVPBDO-CBFGRJNTSA-N 315.457 4.156 0 40 DIAB CC1(C)C=Cc2c(ccc3c2OC/C(=C2/C=CC(O)=C[C]2O)C3)O1 1560403741 NQJYGESCHYONFC-UHFFFAOYSA-N 323.368 4.018 0 40 DIAB Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1 332919 KROZZNJSPUEKDD-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(C(=O)Oc2cc(Cl)nnc2-c2ccccc2)cc1 344213 JPZOWHBUGKWUEC-UHFFFAOYSA-N 324.767 4.325 0 40 DIAB c1ccc(CCc2ccc(OCCN3CCCCC3)cc2)cc1 1583778 ABTZZBQZXXTIID-UHFFFAOYSA-N 309.453 4.337 0 40 DIAB CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 1599371 LEOONQIJGJGQKE-UHFFFAOYSA-N 324.829 4.405 0 40 DIAB O=C(CN1CCCCCCC1)Nc1ccc(Cl)cc1Cl 3455795 YGARLIVHXQPKFF-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB Cc1ccc([C@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 5121190 SJKXFJMFSUITOL-NRFANRHFSA-N 300.357 4.457 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 5434412 UGIARLNNAPRCPF-DTDSOPBBSA-N 316.485 4.205 0 40 DIAB in-man CCC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 5556307 GGOQIDYQXGWUJT-GOSISDBHSA-N 310.397 4.167 0 40 DIAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 6590566 JQAXMWYOHGDVRQ-CQSZACIVSA-N 304.802 4.099 0 40 DIAB COc1ccc(Cn2c(CC(C)C)nc3ccccc32)cc1OC 7542429 VMESRVVWGWTYEH-UHFFFAOYSA-N 324.424 4.300 0 40 DIAB O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 8265098 SPOPMQHVDRCOJX-UHFFFAOYSA-N 319.379 4.465 0 40 DIAB Cc1ccc(F)cc1NC(=O)CCc1ncc(-c2ccccc2)o1 11425825 DJMPTRBMFBKLJE-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)c1c2nnc2nc(-c3ccc(F)cc3)cn12 12115561 APPVXLHMGIABLK-ORAYPTAESA-N 322.387 4.105 0 40 DIAB O=C(NCCCn1ccc2ccccc21)c1ccccc1Cl 12562697 PVIFWPSAISCPHP-UHFFFAOYSA-N 312.800 4.115 0 40 DIAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708285 NNCRJSJREQILAJ-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 14013492 FPCAWRMQWABBJI-KRWDZBQOSA-N 313.397 4.190 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Br)[C@@H]1C 19518063 DSLGRQCCJXUQJF-JTNHKYCSSA-N 310.235 4.004 0 40 DIAB O=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 19943842 CXTWZFVECMYNHN-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccccc2)cc1 20050827 GVGVAYRVFKAFPV-LJQANCHMSA-N 311.425 4.141 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)Cc2cc(C)ccc2C)cc1 20459930 QHNNNBFJTIPEGJ-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB Cc1ccccc1CNC(=O)c1occc1COc1ccccc1 21381299 REUBARKOSMZPLD-UHFFFAOYSA-N 321.376 4.097 0 40 DIAB Cc1ccc(CNC(=O)N(C)[C@@H](C)c2cccs2)cc1F 23174559 FDUXGKKIDSDVKF-LBPRGKRZSA-N 306.406 4.098 0 40 DIAB Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)oc2ccccc12 24183120 ISAAAYHGYQGWMO-NSHDSACASA-N 311.303 4.156 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 24958037 SOEGLQDJYZWHRL-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB Cc1cc2cc(NC(=O)[C@H](C)OCc3ccccc3)ccc2[nH]1 25129278 MNWJFWNJUXFGQZ-AWEZNQCLSA-N 308.381 4.020 0 40 DIAB C[C@@H](CNC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 29202753 VYZFTEVOWKBXSA-KRWDZBQOSA-N 307.437 4.418 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)Nc3ccc(F)cc3F)sc2C1 32611085 UFRMFVRSIJIYJY-MRVPVSSYSA-N 323.368 4.190 0 40 DIAB CCOCCCNC(=O)c1sc2cc(C)ccc2c1Cl 32611740 UUVCMMOJTGPSEX-UHFFFAOYSA-N 311.834 4.020 0 40 DIAB Cc1cc(C)c(NC(=S)NC(=O)/C=C\c2ccccc2)c(C)c1 33318657 BECVHLRYOOJYGP-KTKRTIGZSA-N 324.449 4.138 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 36623275 GFGVEQIZRHOBJT-ZIAGYGMSSA-N 315.388 4.033 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccccc1 39970393 MOXSYYDAHBPJQX-QGZVFWFLSA-N 312.438 4.059 0 40 DIAB CCOc1ccccc1NC(=O)N(Cc1ccsc1)C1CC1 44446766 ZIMQVJZZRPAIQR-UHFFFAOYSA-N 316.426 4.343 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C)c(C)c1 44845406 WXYNAPKSDJLOMF-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCCc1ccccc1NC(=O)c1cccc(Cn2ccnc2)c1 45732751 UQSLWJGZWALVAD-UHFFFAOYSA-N 319.408 4.136 0 40 DIAB COC(=O)CCc1ccc(OCc2ccc(Cl)cc2)cc1 57312125 RONCYAVMLAVDAV-UHFFFAOYSA-N 304.773 4.025 0 40 DIAB Cc1nc(NCc2ccccc2)ccc1[C@@H](N)c1ccccc1 72224421 ZBJXICCBSBFANG-FQEVSTJZSA-N 303.409 4.050 0 40 DIAB Cc1csc(NC(=O)c2ccc(-c3cccs3)nc2C)n1 75476751 NXJZXRBDBMDLLH-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccncc2)o1 75544139 NZWARFWYGYKYPN-XJKSGUPXSA-N 313.401 4.242 0 40 DIAB CCn1nc(C)c(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1C 89473147 XHGJWSNCSIHNOI-AWEZNQCLSA-N 314.433 4.053 0 40 DIAB CC(C)N(C)c1cccc(NC(=O)c2scnc2C2CC2)c1 89807006 AXDFXJDALKWCNM-UHFFFAOYSA-N 315.442 4.117 0 40 DIAB COc1ccc2c(ccn2-c2cccc(Br)c2)c1 95915575 LFAZKJFVNDBOCX-UHFFFAOYSA-N 302.171 4.402 0 40 DIAB O=C1C(O)=C/C(=N\c2ccc(F)c(Cl)c2)c2ccccc21 103661223 PYSZRQKJIGSQMB-XMHGGMMESA-N 301.704 4.238 0 40 DIAB CN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918554 ZSTQCIVAAMTXKR-QKSWPAOXSA-N 319.533 4.320 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc(OC)cc1 224156964 DIPOILYUUOYIDQ-QAPCUYQASA-N 321.461 4.185 0 40 DIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CC1CCCCC1 409140646 HGJMHWMVNRWFEC-RVDMUPIBSA-N 301.411 4.303 0 40 DIAB CC[C@@H](Sc1ccccc1)C(=O)Nc1nocc1C1CC1 1533969592 IQVIKWLMBBLAFF-CQSZACIVSA-N 302.399 4.061 0 40 DIAB O[C@@]12CCCC[C@@H]1N(Cc1ccccc1)[C@@H](c1ccccc1)C2 1547139827 RIWFQVVQINEPLK-QHAWAJNXSA-N 307.437 4.307 0 40 DIAB O=C(NCc1cc(-c2ccoc2)cs1)Nc1cccs1 1775970013 XDUCYMJMGDGKAS-UHFFFAOYSA-N 304.396 4.391 0 40 DIAB C[C@H](C(=O)c1ccccc1)n1ccc2cc(Cl)ccc2c1=O 38334 WNPKVDVLMGLNKJ-GFCCVEGCSA-N 311.768 4.099 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1noc2c1CCCCC2 426567 NPCBLXUMODDDKJ-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1 479507 FWXNEABOUHAYNA-UHFFFAOYSA-N 319.426 4.010 0 40 DIAB O=C(c1ccc(Cl)c(F)c1F)N1CCCc2ccccc21 796969 PXOLDKKHOORBMM-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB CC(=O)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 937018 YFIHYAZMGBMQHH-UHFFFAOYSA-N 314.724 4.039 0 40 DIAB CCCCOc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1 2066139 FVXYZPGSMOSRTQ-UHFFFAOYSA-N 314.381 4.483 0 40 DIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 2661285 RHCFNTITLQSYKP-LJQANCHMSA-N 324.424 4.351 0 40 DIAB Cc1nc(Nc2ccc(O)cc2)c2c3c(sc2n1)CCCC3 4331356 UPZBDIGFGBVZKQ-UHFFFAOYSA-N 311.410 4.328 0 40 DIAB CCc1sc2[nH]c(=S)n(C3CCCCC3)c(=O)c2c1C 5925221 OMYONDCRILBWPC-UHFFFAOYSA-N 308.472 4.497 0 40 DIAB CC(C)c1ccc(NC(=O)[C@H](C)NC2CCCCCC2)cc1 7043381 IGPXYDIIFGZSJT-HNNXBMFYSA-N 302.462 4.449 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(F)cc(F)c1 7670491 GALLNCOIFGKDSN-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1F 7684204 NEGVQUURASNROZ-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC 8040670 QMCAFAXAXZZRIO-OAHLLOKOSA-N 319.788 4.145 0 40 DIAB Cc1nc(SCc2nc3ccccc3o2)c2ccccc2n1 8395043 YWVCJMHIGHWGLO-UHFFFAOYSA-N 307.378 4.372 0 40 DIAB O=C(N[C@H](c1ccc2c(c1)CCC2)c1cccs1)c1ccoc1 12625060 XMQHCIBVQTUCEF-GOSISDBHSA-N 323.417 4.349 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCc3ccccc32)c1 12768807 SWRSZMCHZINITK-LJQANCHMSA-N 323.436 4.301 0 40 DIAB Brc1cccc(CN2CCc3ccccc3C2)c1 14217422 ZCNDLMAMTUCHGV-UHFFFAOYSA-N 302.215 4.007 0 40 DIAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccn1 14253634 RXAYAOIAXDGWSC-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1 14737896 PMGNLFIRLNUUSN-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2)c(C)c1 20048239 RPMSJSQSLQZUEG-INIZCTEOSA-N 313.466 4.414 0 40 DIAB CCCCCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 21524473 ZXHYRGIVZJFTCP-KRWDZBQOSA-N 313.445 4.300 0 40 DIAB CSc1ccc(CN2Cc3ccccc3NC2=S)cc1 21658458 QAZMDNBGYWNNTA-UHFFFAOYSA-N 300.452 4.121 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 22314634 KKEDVJXQKSGTJZ-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1ccccc1F 25107703 RTNNOTWCVJOTCW-XTZCOPOCSA-N 313.372 4.067 0 40 DIAB O=C(Cc1cccs1)Nc1cccc(OC2CCCC2)c1 29028159 ROGPTMLJSMPVMC-UHFFFAOYSA-N 301.411 4.251 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)N1CCOc2ccccc21 33167907 ZGGZWBIFOCXUEW-UHFFFAOYSA-N 308.164 4.033 0 40 DIAB Cc1ccc(-c2ccc(/C=C\[N+](=O)[O-])o2)c(Br)c1 33317316 KLIIHHLSQXBJIS-SREVYHEPSA-N 308.131 4.265 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 40156830 IENJLXVQQFRRFB-UHFFFAOYSA-N 304.390 4.048 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 42000950 LPFREVUQFHGDFT-QAPCUYQASA-N 323.436 4.483 0 40 DIAB Cc1nc(-c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cs1 42649352 QXHQSKZNDSYETK-RUDMXATFSA-N 321.405 4.165 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)c(C)c1 63568201 SIWPRAVNQDXQNR-UHFFFAOYSA-N 302.443 4.264 0 40 DIAB Cc1ccc([C@@H](C)N(C)Cc2noc(-c3cccs3)n2)s1 65538517 OGXBEUFLHRXQQW-LLVKDONJSA-N 319.455 4.361 0 40 DIAB Cc1noc([C@@H](C)SCc2cc(-c3cccs3)on2)n1 76323142 MKSCGCOYIUAQLX-MRVPVSSYSA-N 307.400 4.089 0 40 DIAB Cc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 95393208 LHLGUKVJIPLZOY-IRXDYDNUSA-N 306.365 4.187 0 40 DIAB O[C@H](CN[C@H](c1ccccc1)C1CCCCC1)c1ccncc1 95462856 IBEIWNMJNNKDNT-WOJBJXKFSA-N 310.441 4.026 0 40 DIAB COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c(Cl)s1 96190572 BLMXJOXYGMYMCG-UHFFFAOYSA-N 315.177 4.073 0 40 DIAB CSc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1F 96435410 KZXWNUVKRASPNK-QMMMGPOBSA-N 323.393 4.035 0 40 DIAB CCCCc1c(O)c2ccccc2n(Cc2ccccc2)c1=O 100249993 UGORMPYEOUOURD-UHFFFAOYSA-N 307.393 4.098 0 40 DIAB biogenic,in-vitro Cc1nc2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2s1 102098595 UNRQYLHXHJEGEC-UPJWGTAASA-N 300.427 4.370 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1coc(-c2cccs2)n1 106520688 VNJTWKXMBWHIOS-AVGNSLFASA-N 317.410 4.273 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC(C(C)C)C(C)C 113951682 PTCNRCRIUXTORV-MRXNPFEDSA-N 305.462 4.258 0 40 DIAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cscn1 156583260 IWAXSOOZUBUUNA-UHFFFAOYSA-N 323.588 4.061 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N2CCCc3ccccc32)cc1C 219508773 LHSMPSCUVWAHPU-MRXNPFEDSA-N 309.409 4.050 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1 223317973 VSVWFLFAUGODEC-KRWDZBQOSA-N 311.425 4.118 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225017617 WCOQSUOVGRZFGH-GOSISDBHSA-N 312.409 4.367 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225694010 VSKNJDDDYYYMKY-SFHVURJKSA-N 307.434 4.316 0 40 DIAB CC[C@@H](NC(=S)Nc1cc(C)ccn1)c1ccc(C)cc1C 225717318 AYDVUTZTCJHIBO-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB C[C@H]1CCCN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)[C@H]1C 247883605 RYNAYTUYWPFNAP-GRDNDAEWSA-N 313.445 4.035 0 40 DIAB CCCc1sc(-n2cccc2)nc1C(=O)Nc1ccccc1 1565524359 KFWZODZBEKBECB-UHFFFAOYSA-N 311.410 4.139 0 40 DIAB COc1ccc(Cl)cc1C(=O)Oc1cccc2cccnc12 178991 MERSMUKFXKVJFX-UHFFFAOYSA-N 313.740 4.116 0 40 DIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(C(F)(F)F)cc1 191857 VSQBUVFFLIGXDE-UHFFFAOYSA-N 322.311 4.067 0 40 DIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 354398 BQRZBROLZJDECZ-UHFFFAOYSA-N 323.845 4.438 0 40 DIAB CCC[C@@H](C)c1s/c(=N/C(=O)c2ccc(C)cc2)n(C)c1C 406232 MUULCPUPAJPGED-NIVDNSEKSA-N 316.470 4.348 0 40 DIAB O=C(Cc1ccccc1)Nc1nc2ccc(Cl)cc2s1 568686 UQYGABXATWBOMZ-UHFFFAOYSA-N 302.786 4.131 0 40 DIAB COC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3179083 YDKVALYTSJBETL-UHFFFAOYSA-N 310.459 4.252 0 40 DIAB CCCCN(CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C 3381059 LUGKPWICKMNDAN-GOSISDBHSA-N 321.505 4.154 0 40 DIAB CCC(C)(C)NC(=O)c1cccnc1Sc1ccc(C)cc1 3438917 IVJQNROULGLRPG-UHFFFAOYSA-N 314.454 4.460 0 40 DIAB COc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 5335851 QCDDPTJRGRGYPF-UHFFFAOYSA-N 318.336 4.037 0 40 DIAB CCC(CC)C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 5856973 RZVBAIMNYGDNDA-UHFFFAOYSA-N 304.415 4.193 0 40 DIAB COc1ccc([C@H]2C=C(c3ccc(F)cc3)NC(=N)S2)cc1 5917621 UBRNDOCAUUDKEB-MRXNPFEDSA-N 314.385 4.188 0 40 DIAB CC(=O)N(Cc1cccc(Br)c1)c1ccc(F)cc1 6363258 NUFXXEPMBNMQBY-UHFFFAOYSA-N 322.177 4.141 0 40 DIAB CCCCc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 6559191 CTLMHFBKBLRUPU-UHFFFAOYSA-N 310.397 4.240 0 40 DIAB COc1cccc(CO)c1OCc1ccc(Cl)cc1Cl 8495470 VBUFEWZBDCTJGR-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB Cc1nc2c(C)cc(Cl)cc2c(O)c1CN1CCC(C)CC1 8717234 YQODLJUUBWLBHC-UHFFFAOYSA-N 318.848 4.443 0 40 DIAB COc1ccc(NC(=O)c2ccc(SC(C)C)cc2)cc1 10253327 PAKQYIYPQKBFKV-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB CC(C)(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12441544 GCPOWJGLRONERV-IBGZPJMESA-N 323.436 4.198 0 40 DIAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(F)cc1 20459771 IBZDNTSGIWIWJE-UONOGXRCSA-N 317.429 4.325 0 40 DIAB Cc1cccc(OCCC(=O)NCc2ccc(Cl)cc2)c1C 24479464 LGXLBVXZNKRUFS-UHFFFAOYSA-N 317.816 4.042 0 40 DIAB CCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 24751799 SWCWDDQJTQLJGV-UHFFFAOYSA-N 309.287 4.247 0 40 DIAB C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)s1 33193456 HPLLJVARTCVZBZ-SSDOTTSWSA-N 301.745 4.171 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 36462205 BNUOCVTVOYWNJC-LFGUEBOJSA-N 304.474 4.061 0 40 DIAB in-vitro COc1ccc2oc(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 41156403 GEIFISDLAXEGTL-GFCCVEGCSA-N 309.365 4.241 0 40 DIAB CC[C@@H](Nc1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C 72207657 XMMGPYMFOVOAET-HZPDHXFCSA-N 304.434 4.277 0 40 DIAB CCCCN1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216707 XDWSHOUFWJHGDI-GOSISDBHSA-N 301.478 4.399 0 40 DIAB O=C(CC(C1CC1)C1CC1)N1CCCC[C@@H]1c1nccs1 72285948 UULZIBLJIIOJQJ-OAHLLOKOSA-N 304.459 4.023 0 40 DIAB C[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 84651529 YSKDCNYJCKYMMV-GXTWGEPZSA-N 323.362 4.130 0 40 DIAB COc1ccc(C(C)(C)c2cc(Br)ccn2)cc1 95629703 JVEQBYWFAVOVSV-UHFFFAOYSA-N 306.203 4.179 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccccn1)CC2 186104994 OEHLIVGBMPKWIX-IFXJQAMLSA-N 323.440 4.253 0 40 DIAB COc1c(Cl)cc(-c2nc3ccc(N)cc3o2)cc1Cl 216735025 KGRGJECNKFAWLR-UHFFFAOYSA-N 309.152 4.392 0 40 DIAB O=Cc1ccc2oc(-c3ccc(Br)cc3)nc2c1 216789683 XDXFWMYUUXQSSU-UHFFFAOYSA-N 302.127 4.070 0 40 DIAB O=C(O)[C@H](Cc1ccccc1F)Oc1cccc2ccccc12 225052407 YDRSJPNEXGQZFP-SFHVURJKSA-N 310.324 4.054 0 40 DIAB O=C(O)[C@H](Cc1ccccc1Cl)Oc1ccccc1Cl 225055831 HYSTZQHVRNIFDF-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1Cl 225202738 QGKWTNWTWWINBH-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB CCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264664 KCHWMDPZHVHZFU-UHFFFAOYSA-N 313.788 4.023 0 40 DIAB Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)c(Cl)c1 226347147 AVFVTFBSQAMREK-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CCCCCN1C(=O)S/C(=C\c2ccc(CC)cc2)C1=O 409218330 UCDPGAGPZHVUME-QINSGFPZSA-N 303.427 4.476 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1c(F)cccc1Cl 575611323 UTBBSJYDFZKFDV-UHFFFAOYSA-N 319.719 4.262 0 40 DIAB CCc1sc(COC(C)C)nc1-c1ccc(NC(C)=O)cc1 585091554 FDUVCTDYRJHECQ-UHFFFAOYSA-N 318.442 4.256 0 40 DIAB CCn1c(SC2CCSCC2)nnc1-c1cccs1 585119231 YMQLFNQOGLTCID-UHFFFAOYSA-N 311.501 4.014 0 40 DIAB CCC[C@H](Nc1ccc(F)c(F)c1)n1nnc2ccccc21 31591 QTCUTLVKHHQVEA-MRXNPFEDSA-N 302.328 4.120 0 40 DIAB CC1=NN(c2nc(-c3ccc4ccccc4c3)cs2)C(=O)C1 125474 BWEPPDYGLGQGBE-UHFFFAOYSA-N 307.378 4.076 0 40 DIAB Cc1cccc(C)c1OC(=O)c1cc(F)c(Cl)nc1Cl 166939 LOFOCNHDNDBHDL-UHFFFAOYSA-N 314.143 4.364 0 40 DIAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 247049 MCCXVGYSWHWHDK-CQSZACIVSA-N 317.454 4.024 0 40 DIAB COC(=O)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 555536 QVFIWFMVNFWAQS-UHFFFAOYSA-N 317.747 4.269 0 40 DIAB Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2)c1 802333 KRQOERZXEMQIOW-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB COc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1 3284212 DOODWMIHZZWQCX-UHFFFAOYSA-N 319.364 4.039 0 40 DIAB Cc1csc(SCC(=O)Nc2cccc3ccccc23)n1 3413853 NSOJEKFJWFYLQY-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB COc1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 3481849 UWZBHWYIWDXNOH-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 6786399 YJFFNJXNGZLBKV-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB O=Cc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 11735068 MRZMRCMCMCMHME-UHFFFAOYSA-N 305.164 4.204 0 40 DIAB Cc1nc2ccccc2n1Cc1cccc(Br)c1 12544400 BGFKDOPCYUBTAA-UHFFFAOYSA-N 301.187 4.156 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc(Cl)c2)c1 14573501 OYWVCLQTYGLXQO-CQSZACIVSA-N 317.816 4.213 0 40 DIAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(F)cc1 14738419 UREHOTWYNXOXIP-CQSZACIVSA-N 323.367 4.235 0 40 DIAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccccc1C 16241028 STBLARGUJMJTHU-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)c[nH]c12 16406562 XAQGUMPRYBSGQH-UHFFFAOYSA-N 301.345 4.193 0 40 DIAB COc1ccc(S[C@H](C)C(=O)NC2CCCCCC2)cc1 18543888 AQWZCASHTMKKOF-CYBMUJFWSA-N 307.459 4.015 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1Cc1ccccc1 25518231 PJXSAISZPKYFCX-KRWDZBQOSA-N 304.393 4.015 0 40 DIAB Cc1ccc(-n2ccnc2S[C@H]2CCCCCC2=O)c(C)c1 26035556 DBZIAVOXIYKDNZ-KRWDZBQOSA-N 314.454 4.483 0 40 DIAB CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27584001 MWGAYMDASWGHAG-QGZVFWFLSA-N 322.880 4.173 0 40 DIAB CCC(CC)c1nc(-c2ccc(CCNC(C)=O)cc2)cs1 28334213 XLKYFUAUUUNLJL-UHFFFAOYSA-N 316.470 4.392 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1F 30549962 DOFVJGSOWBPYRA-SECBINFHSA-N 309.793 4.300 0 40 DIAB CC(C)[C@@H](NC(=O)[C@H](C)OCc1ccccc1)c1cccs1 32715684 BSKWABVKTYDBPF-WMLDXEAASA-N 317.454 4.167 0 40 DIAB CC[C@H](C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 38753930 XKQSXMPDLWZWPO-VIFPVBQESA-N 306.258 4.141 0 40 DIAB C[C@@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccccc1 40062479 YBHXDNNKXFRIBD-OAHLLOKOSA-N 324.424 4.447 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1 48202479 NGSXVZNLMDWQTO-UHFFFAOYSA-N 319.364 4.084 0 40 DIAB COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccccc3)c2c1 49581092 BVACXZYLXCMRAA-VAWYXSNFSA-N 321.376 4.205 0 40 DIAB C[C@H](SCc1nc2ccsc2c(=O)[nH]1)c1cccs1 71915143 QIZDUFKASVSKNG-QMMMGPOBSA-N 308.453 4.041 0 40 DIAB Cc1cc(N(C)Cc2ccccc2)ncc1C(=O)c1ccccc1 72223394 ODOZOCFQZUAHTQ-UHFFFAOYSA-N 316.404 4.257 0 40 DIAB Cc1nc(N(C)c2ccccc2)ccc1[C@H](O)c1ccccc1 72224387 UESGYDBROIBEGF-HXUWFJFHSA-N 304.393 4.240 0 40 DIAB c1ccc2cc(-c3nc4ccc(-n5cnnc5)cc4o3)ccc2c1 73640041 HOXJMONLJJPEFU-UHFFFAOYSA-N 312.332 4.229 0 40 DIAB CC(C)CNc1nnc(SCc2cnc(Cl)s2)s1 79107301 KTXASUOKYJQLRT-UHFFFAOYSA-N 320.896 4.008 0 40 DIAB Fc1ccc(Br)cc1OC(Cl)(Cl)Cl 95215739 JHOQKQRDIOXKQC-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB COc1ccc(Oc2cc(CN[C@H](C)c3ccco3)ccn2)cc1 95420517 CBKYUXWAOHBBGZ-CQSZACIVSA-N 324.380 4.326 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1 216485346 OPUABKZTROSCIA-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1ccc(Cl)cc1 225441456 IGEJBLORBUBZAC-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CC[C@@H](C)Nc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 228927779 ZSVXVARTULLUBP-MRVPVSSYSA-N 312.204 4.132 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C)ccc1OC 408680586 NWIRCVGGNIRDJC-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB COc1cc2c(cc1NC(=O)c1cccc(Cl)c1)CCCC2 408924471 JARJLPYEHPWSKV-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1C[C@H]2CC[C@H]1C2 514995858 MDCLEVNDCZMVNH-COPLHBTASA-N 300.789 4.263 0 40 DIAB C[C@H]1CC(C)(C)c2cccc(NCc3cc4c(cn3)OCCO4)c21 1560598006 JLQLSXAFOQCPSI-ZDUSSCGKSA-N 324.424 4.250 0 40 DIAB Cc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 199789 SLDCEGIZDRNNIU-UHFFFAOYSA-N 305.131 4.068 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 562955 WIMBZLDBMZLWHY-IZZDOVSWSA-N 321.298 4.366 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccccc3)on2)C1 815046 HNBCEGYOHPWBOB-FOIQADDNSA-N 324.424 4.382 0 40 DIAB O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1F 1340629 KNFHIKWQDDGTFV-UHFFFAOYSA-N 313.376 4.027 0 40 DIAB O=c1ccn(Cc2ccc(F)cc2)c2cc(C(F)(F)F)ccc12 3106289 YJRIPGWSVKFUET-UHFFFAOYSA-N 321.273 4.208 0 40 DIAB O=S(=O)(c1ccccc1)c1ccc2c(c1)Oc1ccccc1N2 3148903 CEFLTYORKNHCKD-UHFFFAOYSA-N 323.373 4.369 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 3249144 LHSGOALMBTXDJU-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB O=C(NC(=S)SCc1ccc(Cl)cc1)c1ccccc1 3285217 VRKQWZLNOBRAPI-UHFFFAOYSA-N 321.854 4.288 0 40 DIAB CC(C)(C)c1csc(-c2cnn(-c3ccc(F)cc3)c2N)n1 3331672 WAHWAQUSYARFMW-UHFFFAOYSA-N 316.405 4.015 0 40 DIAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H]1CCCN1 3823281 QOTDIUAVPXJUEG-INIZCTEOSA-N 303.298 4.047 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(C(C)C)cc1 4163634 VQGSWORVXSDWGS-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]12C 4722532 JKSYUQKNAOZGAO-SLHNCBLASA-N 316.441 4.204 0 40 DIAB in-vitro O=C(NC1CCCC1)c1ccc2noc(-c3ccccc3)c2c1 5034794 VCPMQTPUFBRWIK-UHFFFAOYSA-N 306.365 4.167 0 40 DIAB CCC(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 5296835 SNPNIZRNCROJMI-JTQLQIEISA-N 312.649 4.001 0 40 DIAB Cc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1 5342364 MZEAJESBFNEPLP-UHFFFAOYSA-N 304.393 4.047 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 6328428 DDDYATKEVWFHSJ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB COc1ccc(/C=C/C(=O)O[C@@H](C)c2ccccc2)cc1OC 6406469 CPEOAPNORCUMAD-WONIAPNHSA-N 312.365 4.021 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c(C)c1 7510332 NQKQPUXOUOOPSM-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB CCCN1C[C@@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21 9214248 YEHCICAEULNIGD-XCRHUMRWSA-N 314.498 4.271 0 40 DIAB CCN1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 9236567 IZPUEHWIMXNVHA-OQLLNIDSSA-N 319.426 4.183 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)Cc1ccc(NC(C)=O)cc1 9366638 CWCZAUCJVJMYQN-CQSZACIVSA-N 324.424 4.340 0 40 DIAB Cc1ccc(NCc2nnc(S)n2-c2cccc(C)c2C)cc1 13534432 ZNRYNMIDLGONKG-UHFFFAOYSA-N 324.453 4.093 0 40 DIAB Cc1ccc(SCCC(=O)NCCCc2ccccc2)cc1 13676510 VYKGEPYYCROROC-UHFFFAOYSA-N 313.466 4.226 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 13932676 JHQUWQWXEFVCIT-CQSZACIVSA-N 314.454 4.360 0 40 DIAB Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccco2)c1 14198772 USQJEXRZWNKANM-UHFFFAOYSA-N 310.353 4.415 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1csc(-c2ccccc2)n1 14373386 ICNMNWYFTVLUNK-INIZCTEOSA-N 320.417 4.227 0 40 DIAB COc1ccc(COc2ccc(C)cc2Br)cc1 20018110 OFAJHXKBYXPWDE-UHFFFAOYSA-N 307.187 4.345 0 40 DIAB O=C(O)c1oc2ccccc2c1COc1ccccc1Cl 20433640 ZNXLPPWUYISSRD-UHFFFAOYSA-N 302.713 4.363 0 40 DIAB in-vitro CSc1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1 21695625 ZHQXFGVPSHAMQR-UHFFFAOYSA-N 301.386 4.218 0 40 DIAB O=C(NCCSCc1ccccc1)c1cccc(Cl)c1 21930819 MALZPYMDKYAFNN-UHFFFAOYSA-N 305.830 4.003 0 40 DIAB O=C(Cc1cccs1)Nc1nc(-c2cccc(F)c2)cs1 25321836 NVKKKBRDKHQENS-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB COc1ccccc1CCNC(=O)C1CCC(C(C)(C)C)CC1 32986570 YJNNODGALORVOT-UHFFFAOYSA-N 317.473 4.206 0 40 DIAB CC1=C(c2ccc(Cl)cc2)[N+](=O)[C@@](C)(c2ccccc2)N1O 38344751 FLMBULUSTQVAGO-KRWDZBQOSA-N 315.780 4.385 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1noc(C(C)(C)C)n1 40153355 ZVGSPNMKPRPPET-LBPRGKRZSA-N 313.401 4.306 0 40 DIAB O=C(NCc1ccc(Br)cc1)c1cccc(Cl)c1 42418625 RUBQGRRMTMFHIW-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB CCCCOc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 43209876 SQYSJOCYZOJXKK-UHFFFAOYSA-N 312.365 4.022 0 40 DIAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(F)(F)F 57316756 PKWGXCMZWUCDQF-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CN(C(=O)CNc1cccc(OC2CCCC2)c1)c1ccccc1 57996517 QEDKKCFEGHDFJD-UHFFFAOYSA-N 324.424 4.083 0 40 DIAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 68846610 IYHMLTNPGLEMNK-ZIAGYGMSSA-N 317.816 4.027 0 40 DIAB Cc1ccccc1NC(=O)NC[C@H](O)c1cccc2ccccc12 70636283 QVBOTWCVSITQDB-IBGZPJMESA-N 320.392 4.003 0 40 DIAB CC[C@@H](C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)on1 72295646 OGEYYAWOJTXNLI-YPMHNXCESA-N 319.430 4.012 0 40 DIAB Cc1cc([C@@H](O)c2cccc(Br)c2)ccc1Cl 95730205 DHZXBQNYWFEYKE-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc2[nH]ccc2c1 95959227 YPQGMJDRWFPBDU-CABCVRRESA-N 321.424 4.154 0 40 DIAB C[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 96316011 OLZKROHTNRKMIX-LLVKDONJSA-N 304.187 4.191 0 40 DIAB CC1(C)[C@H]2CN(C(=O)c3ccccc3Cc3ccccc3)C[C@@H]21 101274939 HSXKEEYQQADHMO-OALUTQOASA-N 305.421 4.005 0 40 DIAB Clc1ccc([C@H](N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1Cl 108373390 ARHWSQONRPKMJL-RAEVTNRLSA-N 312.240 4.354 0 40 DIAB O=C(C1CC=CC1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163715533 ZKFVZKMXCTWMIV-UHFFFAOYSA-N 318.420 4.206 0 40 DIAB CCCc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 223370895 ALQGOAPOYSZXDY-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB Cc1cccc(C)c1NC(=O)c1ccnc(OC2CCCC2)c1 244970211 HOCMJIOXSDSBOA-UHFFFAOYSA-N 310.397 4.272 0 40 DIAB c1cc2c(-c3noc([C@@H]4C[C@H]4C4CCCCC4)n3)cc[nH]c-2n1 569191262 UWJLQLXXWPFZDP-LSDHHAIUSA-N 308.385 4.248 0 40 DIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1 206534 YLJJQRKKVBQQFV-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Cl)cc2)cc1 350353 YPHLUJRTMSQQOF-AWEZNQCLSA-N 323.726 4.072 0 40 DIAB CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc32)cc1 386938 ZWRZMOOSKFCSPP-UHFFFAOYSA-N 316.360 4.163 0 40 DIAB CC(C)Oc1cccc(C(=O)Nc2cccc3cccnc23)c1 556649 VVNKCFGZAMBRDT-UHFFFAOYSA-N 306.365 4.274 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 579654 QQFUKRCIPZGQPG-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)o1 3266286 LYGRNBTYIUNQHN-UHFFFAOYSA-N 321.764 4.216 0 40 DIAB O=C(NCCOc1ccccc1F)Nc1cccc2ccccc12 3434536 SNDNZSVZCDQPRD-UHFFFAOYSA-N 324.355 4.179 0 40 DIAB O=C(CSc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 3489531 DJXJWCDLENWPIN-UHFFFAOYSA-N 320.797 4.086 0 40 DIAB O=C(CSCc1ccccc1)Nc1ccccc1OC(F)F 3601956 UAYLSRYXRQAGNS-UHFFFAOYSA-N 323.364 4.160 0 40 DIAB Cc1cccc(NC(=O)NCc2ccc3c(c2)cc(C)n3C)c1 4061608 SKXJUTLQYXPXGT-UHFFFAOYSA-N 307.397 4.117 0 40 DIAB C[C@]1(O)C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 4743893 CQZAVYPFAQQMBG-XXHSLLPRSA-N 316.485 4.061 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2 5442893 FFHCFOSFLQYCGC-IXYLRAAXSA-N 309.453 4.397 0 40 DIAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@]12CC(C)=C(C)CS2 5602928 CAAQFTZFEXECTI-INIZCTEOSA-N 320.845 4.275 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CC(C)(C)C 6353235 UVWNYOGRFBPMFH-LBPRGKRZSA-N 301.386 4.027 0 40 DIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(Cl)c1 6422938 SNHGMSDXHHPHFE-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F 8222116 NIURSQSMXKJRPS-ZYHUDNBSSA-N 300.324 4.406 0 40 DIAB CCOc1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 10295199 FOPUREOMKDEUFS-UHFFFAOYSA-N 313.397 4.191 0 40 DIAB CCOc1cccc(NC(=O)CCc2ccccc2Cl)c1 10458297 ZGIQDVHQKJKPCA-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB C[C@@H]1CCN(C(=O)c2cccc(F)c2)c2ccccc2S1 14700624 UUPIFJTWUSINSQ-GFCCVEGCSA-N 301.386 4.357 0 40 DIAB CC(C)C(=O)N(C)[C@H](c1ccccc1)c1c[nH]c2ccccc12 15670866 FNNOWYKYJIUIGI-LJQANCHMSA-N 306.409 4.372 0 40 DIAB COc1c(Cl)cc(Cl)cc1CNCCc1ccccc1 22074315 HOWGHMFKYBXAFS-UHFFFAOYSA-N 310.224 4.334 0 40 DIAB Cc1nc(N)sc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 22121278 ZRUYQCMOZCEUFW-UHFFFAOYSA-N 314.414 4.048 0 40 DIAB C[C@@H](Nc1ccc2c(c1)CCC2)c1nnc(-c2ccccc2)o1 24518461 VRTWCCBOUCUYEZ-CYBMUJFWSA-N 305.381 4.398 0 40 DIAB CC(C)CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28218979 SFTKPBHMQLPCSM-UHFFFAOYSA-N 307.397 4.069 0 40 DIAB COc1ccc(CSc2nc3ccc(N)cc3s2)cc1 59040709 PRFDTBLWGCOUHS-UHFFFAOYSA-N 302.424 4.179 0 40 DIAB CSc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72216917 XFMCPSZBKYNBLN-INIZCTEOSA-N 312.438 4.171 0 40 DIAB Cc1nccc(C(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C)n1 72302992 YOWCJVCFNFISLH-INIZCTEOSA-N 319.493 4.488 0 40 DIAB Cc1csc([C@H]2CCCN(Cc3cnc(C4CC4)s3)C2)n1 92788362 DXBWWSBZQMAPQR-ZDUSSCGKSA-N 319.499 4.165 0 40 DIAB CC(C)C[C@@H]1C[C@H](Nc2ncccc2C(F)(F)F)CCO1 95990649 TUGJGASTIVRGHQ-VXGBXAGGSA-N 302.340 4.106 0 40 DIAB Cc1ccn2c(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1 216606684 GLURTFAAEYHXDW-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB CCc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 224926859 AYLCROKSIUVCTM-UHFFFAOYSA-N 322.452 4.421 0 40 DIAB Cc1cccc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225076561 SKZMBXPTTJEYGN-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225603851 NXVDIJXTHSIVLT-GOSISDBHSA-N 305.418 4.070 0 40 DIAB CO[C@H](CSc1nnc(C(F)(F)F)s1)c1ccccc1 225777570 HLXSLBMZFWMADU-SECBINFHSA-N 320.361 4.037 0 40 DIAB Cc1cccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)c1 226039220 MLHLZGIREWPDCE-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@H]4CO 252463598 HHAMKMUMKLXDFQ-XNBPFSFRSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro O=C1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139779 KRJQERWTNABLPQ-ONTIZHBOSA-N 319.448 4.414 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCCCC1 75310 BVPNPNFRRPQTNG-HXUWFJFHSA-N 305.425 4.447 0 40 DIAB CCOc1ccc([C@H]2Nc3ccccc3C(C)(C)O2)cc1OC 98201 JXDGMHOBNZPQMU-SFHVURJKSA-N 313.397 4.470 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(Br)cc1F 383515 LWGNMKXVNHTSAI-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCOc1nc(-c2ccccc2)ccc1-c1noc(C(C)C)n1 498710 ZOMKJJMWVUQNGH-UHFFFAOYSA-N 309.369 4.321 0 40 DIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1OC 510048 NSJVBRIUAWFZGF-SFHVURJKSA-N 322.408 4.091 0 40 DIAB CCOc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 1016978 SLARLWAZZWQLKB-UHFFFAOYSA-N 321.170 4.067 0 40 DIAB O=C(Nc1ccccc1)OCCc1ccc(Br)cc1 1598731 YUTIIQHGAHXSST-UHFFFAOYSA-N 320.186 4.240 0 40 DIAB CCc1cccc(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1 2796859 QIAFAZMUZROPNK-UHFFFAOYSA-N 321.323 4.111 0 40 DIAB O=C(NC1CCCCCCC1)c1cccc(Br)c1 3093813 INJPZRNOYJSXNR-UHFFFAOYSA-N 310.235 4.292 0 40 DIAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1F 3328523 PLKKLRZRVWBSAA-UHFFFAOYSA-N 314.385 4.025 0 40 DIAB Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(C)cc3C)n2)cc1 3335022 MMFVANFGFKEPET-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB O=C(Nc1cnc2ccccc2c1)c1cc2cc(F)ccc2[nH]1 5305154 XSHSXYIKNGGLQQ-UHFFFAOYSA-N 305.312 4.108 0 40 DIAB Cc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 5756264 XEVNZNZDCJMOQI-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB CCn1c2ccccc2c2cc(CNCc3ccncc3)ccc21 6871197 MPCSKWKGPXQPGE-UHFFFAOYSA-N 315.420 4.499 0 40 DIAB C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 8168509 KEDKNIJREPGZLT-GFCCVEGCSA-N 322.235 4.456 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCSc2ccccc21 8943384 GMYPHOKFKBYMGE-UHFFFAOYSA-N 312.419 4.049 0 40 DIAB Cc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 10964671 FGGKVKUBYDJXEB-OAHLLOKOSA-N 301.386 4.101 0 40 DIAB Cc1ccc(-c2cc(=O)[nH]c(SCc3ccccc3)n2)cc1 12016163 KNUYUANEDXODEY-UHFFFAOYSA-N 308.406 4.038 0 40 DIAB O=C(Nc1ccccc1F)c1cc(C2CC2)nn1-c1ccccc1 12798068 QOLZPNUVVBVPCK-UHFFFAOYSA-N 321.355 4.141 0 40 DIAB C[C@H]1CCc2c(sc3nc(C4CCCCC4)[nH]c(=O)c23)C1 13535057 QWTKLSQYJMPLGD-JTQLQIEISA-N 302.443 4.157 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cc(F)ccc2Br)c1 19198953 OZDQMKNQVAPRQU-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB COc1cc2c(cc1CN[C@H](C)c1ccccc1F)O[C@@H](C)C2 25363164 XQMKRVMBTHPWGB-QWHCGFSZSA-N 315.388 4.009 0 40 DIAB O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2s1 25561680 NAUSWBWHCCDNIU-UHFFFAOYSA-N 300.408 4.488 0 40 DIAB O=C(CCc1ccccc1Cl)NCc1ccc(Cl)cc1 29688347 KOJHCNNOVBOCTL-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB Cc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)n1 39892878 UDDISIYVTSXFQY-UHFFFAOYSA-N 314.772 4.279 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2cc(Cl)ccc2Cl)c1 43209887 KIFNEOKVXFXQAN-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CCOc1ccc(C(F)(F)F)cc1NCc1cc(C)on1 60089363 UMGQPBGTTXCNPO-UHFFFAOYSA-N 300.280 4.013 0 40 DIAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213500 PZIHCZVHGJDIED-ZFWWWQNUSA-N 319.449 4.364 0 40 DIAB c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 72216031 XRFFUUNCGQGQEM-HXUWFJFHSA-N 321.468 4.409 0 40 DIAB O=[S@](CCc1ccccc1)Cc1c(Cl)cccc1Cl 75467141 ZAXRTZFRKKMAFE-IBGZPJMESA-N 313.249 4.485 0 40 DIAB COc1cc(Cl)ccc1C(=O)N[C@H]1CCCc2sccc21 95944831 WPOBTHSJKRUIIM-ZDUSSCGKSA-N 321.829 4.218 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc2[nH]ccc2c1 95959228 YPQGMJDRWFPBDU-GJZGRUSLSA-N 321.424 4.154 0 40 DIAB O=C(O)c1sc(Cl)c(Cl)c1OCc1ccccc1 96511029 INWLJQJVQHYFRK-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB O=C1c2ccccc2[C@@H]2C3=C(O)CCCC3=Nc3ccccc3N12 102710463 NLTDDVRALMUCGE-LJQANCHMSA-N 316.360 4.470 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(Cl)cc1 113954023 XXPLMXVECDQKJP-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc2ccccc12 222871226 BTNAHOOWFCLLAN-INIZCTEOSA-N 319.404 4.232 0 40 DIAB COc1cc(C)c([C@H](C)NC(=O)c2cccnc2)cc1C(C)C 223387463 SVPUPLHQHNVTLE-AWEZNQCLSA-N 312.413 4.013 0 40 DIAB CCOc1ccc(CCCNC(=O)c2cc(C)ccc2C)cc1 223443104 OQIHZIWFPWIJTL-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB Cc1ccc(Nc2ccc(NC(=S)NCC(C)C)cn2)cc1 223879755 PIAKYXGHRHHMSK-UHFFFAOYSA-N 314.458 4.076 0 40 DIAB CCOC(=O)c1ccc(OCc2ccccc2)c(OC(C)C)c1 224241676 BFNLVRJTVBKNCY-UHFFFAOYSA-N 314.381 4.230 0 40 DIAB O=C(Cc1ccccc1Cl)NCCCc1ccc(Cl)cc1 225438925 PIRLNUUDZQVCRX-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225645933 IATVAZIPURPISL-IFXJQAMLSA-N 319.445 4.234 0 40 DIAB CCCc1ccc(C(=O)NCc2cncc(-c3ccco3)c2)cc1 575414431 KYWWDYSQUPSXBY-UHFFFAOYSA-N 320.392 4.224 0 40 DIAB c1ccc(-c2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 137083 JTMQMWCWSWYWPR-UHFFFAOYSA-N 322.433 4.314 0 40 DIAB CCN(C(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 932758 XVYRLDJXWJUVEA-UHFFFAOYSA-N 306.818 4.226 0 40 DIAB CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1 2014009 AYUAYHAZNQPDLH-UHFFFAOYSA-N 308.381 4.125 0 40 DIAB Cc1cccc2sc(NC(=O)Cc3c[nH]c4ccccc34)nc12 2651571 RPNOVESNYZCHEF-UHFFFAOYSA-N 321.405 4.267 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1C 2919764 IWESXAMWELZRNZ-OALUTQOASA-N 318.424 4.350 0 40 DIAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(C)c2)cc1 8276658 IBIDQSFQMZABNL-OAHLLOKOSA-N 310.393 4.376 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2cccs2)C(C)C)c1C 8754968 VZVZKNWXRSZSCW-HNNXBMFYSA-N 318.442 4.023 0 40 DIAB C[C@@H](NC(=O)c1ccoc1)c1cc(F)c(Cl)cc1Cl 9256200 SLSAKFNAOSKIOT-SSDOTTSWSA-N 302.132 4.217 0 40 DIAB CC(C)[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1cccs1 12200407 AKISSULMZIFOQU-MRXNPFEDSA-N 317.429 4.432 0 40 DIAB CCN(CC)Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1 12872332 TVPCKEHZFYZMPR-UHFFFAOYSA-N 324.468 4.075 0 40 DIAB CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 14016853 ZXISJEYPFXCNAE-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB O=C(C1CCCC1)N1CCc2sccc2[C@H]1c1ccccc1 14199858 WXFVMTKGXXIIQD-GOSISDBHSA-N 311.450 4.412 0 40 DIAB Cc1ccc(C(=O)NCCCSc2ccc(F)cc2)s1 18022387 GJCVBOBXTRXXIB-UHFFFAOYSA-N 309.431 4.108 0 40 DIAB Nc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1 19772010 OZGQAFIJSWXQKD-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2Cl)c(C)c1 20041348 KPEMBWORTFIRJG-CQSZACIVSA-N 317.816 4.213 0 40 DIAB CC(C)CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22878419 POKVKTPFMNBJAC-ZFAMOUDISA-N 319.448 4.446 0 40 DIAB COc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1Cl 24833176 ZDTLDALVFCUIHR-HNNXBMFYSA-N 315.800 4.407 0 40 DIAB COc1ccc2nc(C)c(C(=O)Oc3cccc(C)c3)cc2c1 25765336 AWOQPZGKHFBQNT-UHFFFAOYSA-N 307.349 4.079 0 40 DIAB C[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1Cl 32803533 LWFRGQQLMJLQEW-NHYWBVRUSA-N 318.804 4.371 0 40 DIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 32895213 ZCKJIJKINADFIS-JQWIXIFHSA-N 305.727 4.191 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 36387086 GDCGIJPZHXBFGC-HEHGZKQESA-N 312.413 4.205 0 40 DIAB Cc1cc(C(F)(F)F)nc(NCc2ccccc2Cl)n1 36613592 KVWURSOKNZAFFS-UHFFFAOYSA-N 301.699 4.069 0 40 DIAB Cc1cc(-c2nc(Nc3ncccn3)sc2C)ccc1F 67322014 VEXUGZNKWVAUHD-UHFFFAOYSA-N 300.362 4.100 0 40 DIAB COc1cccc(CSc2cc(C)nc(-c3ccccn3)n2)c1 68694914 MVHMGVODIKXOGM-UHFFFAOYSA-N 323.421 4.148 0 40 DIAB COc1ccccc1-c1cc(-c2ccc(C)c(C)c2)nc(N)n1 71978310 KCTRPWONBFHQAJ-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB Cc1cc(N2CCc3ccccc32)ncc1[C@H](N)c1ccccc1 72223953 QXZFLKSLQXVKOY-OAQYLSRUSA-N 315.420 4.132 0 40 DIAB CC(C)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 72273626 NRWUWVSFKMJBEQ-IBGZPJMESA-N 319.404 4.159 0 40 DIAB Fc1cc(Br)ccc1OC(Cl)(Cl)Cl 95215574 LZNPRKCRLCWTHI-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB CC[C@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 95968445 CXIGGVZEPOLYLM-BEFAXECRSA-N 306.413 4.069 0 40 DIAB Cc1cc(C)c([C@@H](C)NCc2ccc([S@@](C)=O)cc2)c(C)c1 97227511 XAVYDQIZCBQCFK-ZHRRBRCNSA-N 315.482 4.200 0 40 DIAB Fc1cc(F)c(NCc2csc([C@H]3CCCO3)n2)cc1F 97236946 DBSBEEFNYPVRCG-CYBMUJFWSA-N 314.332 4.024 0 40 DIAB Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@@H]1[C@@H](C2)C1(C)C 100498777 HRJHJSVXCGLCEV-KUHUBIRLSA-N 303.409 4.333 0 40 DIAB COc1ccccc1[C@@H](C)N(C)Cc1csc([C@H](C)OC)n1 106923299 VQUWMANJTMOBDI-OLZOCXBDSA-N 320.458 4.052 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCC1CCCCC1 224472893 FAWBNDTWUBZFGH-QGZVFWFLSA-N 303.446 4.157 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCCCC1 225323000 ZDJGWOVYYHKKFQ-UHFFFAOYSA-N 300.229 4.329 0 40 DIAB COc1ccc(NC(=S)NC2CCCCCC2)cc1Cl 225353138 CVPYEVJGJVIXAE-UHFFFAOYSA-N 312.866 4.358 0 40 DIAB CCCO[C@](C)(C(=O)Nc1cc(C)c(OCC)c(C)c1)C1CC1 225673998 QTAPHXXEQUWJQE-IBGZPJMESA-N 319.445 4.236 0 40 DIAB CNc1ccc2oc(Cc3ccc(Br)cc3)nc2c1 226271205 BPIMDPALSHRZIS-UHFFFAOYSA-N 317.186 4.223 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1cncc2ccccc12 521374734 FLXXNBOUOAXZDA-UHFFFAOYSA-N 323.421 4.213 0 40 DIAB COC(=O)c1cc2c(OCc3ccccc3)ccc(Cl)c2[nH]1 521398872 VESDPQKUBVDVRK-UHFFFAOYSA-N 315.756 4.187 0 40 DIAB CCOc1cc2c(cc1OCC)[C@@H]([C@H]1CC=CCC1)NCC2 32785 NQOAKPOUJMMSCV-IFXJQAMLSA-N 301.430 4.027 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 574422 HWSJCYSFKJPJII-UHFFFAOYSA-N 307.752 4.113 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccncc2)n1 1397242 KSZSEPAWPMTOQV-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB O=C(Oc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)Oc1ccccc1 1600492 UWCBUHNOZSDFEU-QZTJIDSGSA-N 324.376 4.004 0 40 DIAB Cc1ccccc1[C@@H]1c2c(C)cccc2C(=O)C[C@@H]1CC(=O)O 1602001 MYVGZIGBDHZWOU-JLTOFOAXSA-N 308.377 4.113 0 40 DIAB O=C(Cc1ccccc1)Nc1nc(-c2cccs2)cs1 2639361 MLXGVMSDMPAVLJ-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB CCCCOc1cccc2c1CCN(Cc1ccccc1)C2=O 2716318 PTGWDPQBUCRXNG-UHFFFAOYSA-N 309.409 4.064 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)COc2cccc3ccccc23)c1C 5111739 ZKIKJCJXTYYBCI-UHFFFAOYSA-N 321.376 4.249 0 40 DIAB CCCCOc1ccc(C(=O)N2CCCC2)cc1OCCCC 5420707 ZVMMGPFMIQPQDT-UHFFFAOYSA-N 319.445 4.280 0 40 DIAB COc1ccccc1-n1cnnc1S[C@H](C)c1ccccc1 6534657 UPFUUZONPYJDNT-CYBMUJFWSA-N 311.410 4.129 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 6881673 MGOQPXDGDJNUQM-IVKJLDKCSA-N 313.441 4.089 0 40 DIAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 7071680 WMVZAVIXIFSLTF-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(Cl)c(Cl)c1 7737332 VYTIFZCBASFWQZ-AWEZNQCLSA-N 318.200 4.213 0 40 DIAB O=C(NCCSc1ccc(Cl)cc1)c1ccccc1F 8125352 LGQZQBWHONPKTQ-UHFFFAOYSA-N 309.793 4.001 0 40 DIAB CCc1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1 12814306 FDJBUWZKQJRHCU-VAWYXSNFSA-N 302.377 4.449 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCc2ccccc21 12825327 AFAXQSLCFKRANB-HNNXBMFYSA-N 315.800 4.407 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 12906013 DFYSTSKFWFAXJJ-IBGZPJMESA-N 320.392 4.154 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1Cl 15583660 YMANDCJIGKJJCJ-LBPRGKRZSA-N 305.830 4.137 0 40 DIAB CC(=O)Oc1c(-c2nc3ccccc3nc2C)oc2ccccc12 16265585 BXTHEXWTXAQRPU-UHFFFAOYSA-N 318.332 4.277 0 40 DIAB CC1(C)CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C1 19461217 IUTSVPIHARNMEA-INIZCTEOSA-N 313.445 4.036 0 40 DIAB Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)cc2C)c1 24748364 NADPACXVCJTZOZ-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB Cc1cc(C(=O)NCCCCOc2ccc(Cl)cc2)c(C)o1 24751808 YCXSVUZJWOMFNH-UHFFFAOYSA-N 321.804 4.139 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 30547754 WSWWIOBDJBKEQS-CYBMUJFWSA-N 324.449 4.308 0 40 DIAB CSc1nnc(S[C@H](C)C(=O)c2cc(C)ccc2C)s1 36821726 PIQZCOQWEUBTLL-SNVBAGLBSA-N 324.496 4.240 0 40 DIAB CC[C@H](N)c1ccccc1OCc1ccccc1Br 37698601 LHOVOWOEPOGJJZ-HNNXBMFYSA-N 320.230 4.438 0 40 DIAB CC(=O)N(C)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 58224357 QIEZWLLWXLSCRC-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccncc1)C1CC1 65487937 VASRTMBSSWWDFN-UHFFFAOYSA-N 319.767 4.071 0 40 DIAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 72320872 JKVLCPHWQSUQLK-DZKIICNBSA-N 315.436 4.058 0 40 DIAB biogenic,in-vitro O=C([C@@H]1CC=CCC1)N(CCc1ccccc1)Cc1ccccn1 75170143 MHPKVBRCFZUECX-LJQANCHMSA-N 320.436 4.009 0 40 DIAB CCCC(O)(CCC)CC(=O)N(C)Cc1ccccc1Cl 84740384 HNWVZCVJQBRRRO-UHFFFAOYSA-N 311.853 4.020 0 40 DIAB COc1cc(OC)c(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1Cl 102935295 OULKJLLVMHCPLP-IJLUTSLNSA-N 323.820 4.122 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccccc2)cc1 222870774 KOYDAPFPSWQQLU-DNVCBOLYSA-N 311.425 4.284 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1C 224754674 MQXHKVLYPZISPS-HNNXBMFYSA-N 311.425 4.447 0 40 DIAB CC(C)NC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225468008 NCTKQQBZIGTMPJ-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB C[C@@H]1CN(Cc2cccc(O)c2Cl)[C@H](c2ccccc2)CO1 508750294 YVGIPOIZYJFAAN-CJNGLKHVSA-N 317.816 4.008 0 40 DIAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]1c1ccccc1 2737545 FEQBJIFBTZDROW-KGLIPLIRSA-N 320.219 4.413 0 40 DIAB Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccco3)nc21 2740904 BYYAACCBVQBXEN-UHFFFAOYSA-N 307.275 4.125 0 40 DIAB O=C(c1ccc(Cl)cc1)c1cnc2c(F)cc(F)cc2c1O 3906925 LILGKOOATHOHAZ-UHFFFAOYSA-N 319.694 4.103 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCCCC1 4123477 ZDKFSRSOBMBSMR-FQEVSTJZSA-N 305.425 4.447 0 40 DIAB CSc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 4517375 QJTHVEKFALYSDI-SNVBAGLBSA-N 318.467 4.242 0 40 DIAB CCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1 5182398 CFJWROJZAKKVBC-UHFFFAOYSA-N 301.415 4.055 0 40 DIAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 5309364 ZUXAGJIXOWJSQD-UHFFFAOYSA-N 311.381 4.204 0 40 DIAB Cc1ccccc1-c1noc(COc2ccc3c(c2)CCC3)n1 5347690 MJPAERBKBUOAGX-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CCCCc1nnc(NC(=O)c2oc3ccccc3c2C)s1 6235413 NNWFKPRXHGRAAM-UHFFFAOYSA-N 315.398 4.188 0 40 DIAB COc1ccc2oc(C(=O)Nc3cc(F)ccc3C)c(C)c2c1 6388772 ZSBBZOJCSJRGCD-UHFFFAOYSA-N 313.328 4.450 0 40 DIAB Cc1ccccc1CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 6626435 RXMRVUXDYLSHTD-UHFFFAOYSA-N 321.420 4.350 0 40 DIAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3Cl)cc2c1C 6669940 RMYUXSUYNRHSAJ-UHFFFAOYSA-N 312.800 4.368 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 6811358 CCPZEPYBJNBWJT-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1cccc(CC(=O)Nc2ccc(Br)c(C)c2)c1 8382881 GFVJLPINFGOYLX-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB O=c1ccc2ccc(OCc3cc(-c4ccccc4)on3)cc2o1 8924682 IBCUHGJETUIRRA-UHFFFAOYSA-N 319.316 4.027 0 40 DIAB Cc1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 9002116 UAMDPZQYDVLEDC-UHFFFAOYSA-N 308.366 4.164 0 40 DIAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3ccco3)cs2)cc1 18209969 GDEZOXXDLZQEJI-GFCCVEGCSA-N 312.394 4.203 0 40 DIAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 26637638 INMHLHXXMGDXDU-AWEZNQCLSA-N 317.429 4.494 0 40 DIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccoc2C)cs1 26884395 SRRNGKRMDOMLHT-UHFFFAOYSA-N 324.405 4.223 0 40 DIAB C[C@H](SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1 30721497 OIPBWERABLMESV-LURJTMIESA-N 312.382 4.021 0 40 DIAB CC(C)N1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O 32115788 SQFQSPQLWLPKTL-XFFZJAGNSA-N 315.316 4.150 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)c3cc(C)c(C)s3)c2)n1 33125921 DHPPQFKTRNNLNH-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB O[C@@H](Cc1ccc(Br)cc1)c1ccc(Cl)cc1 37532324 DEDQKJKPEJJKKD-AWEZNQCLSA-N 311.606 4.379 0 40 DIAB in-vitro Cc1c(C(=O)Nc2ccc(SC3CCCC3)cc2)cnn1C 40072320 KCUQLEOKWCEGQE-UHFFFAOYSA-N 315.442 4.016 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 59351214 WGFGMGGLNSYYQX-SJORKVTESA-N 311.425 4.257 0 40 DIAB COC(=O)c1cc(OCc2ccc(C)cc2C)c2ccccc2n1 65033054 AHIKNNWGGOLWJR-UHFFFAOYSA-N 321.376 4.217 0 40 DIAB Cc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72211266 ANETUVXHWIUUTI-SFHVURJKSA-N 310.397 4.254 0 40 DIAB CC(C)S(=O)(=O)Cc1ccc(N[C@@H](C)c2ccccc2)cc1 72290450 KNOVGDFQFBJUSH-HNNXBMFYSA-N 317.454 4.183 0 40 DIAB COc1ccccc1[C@H](C)N(C)Cc1csc([C@@H](C)OC)n1 72310602 VQUWMANJTMOBDI-QWHCGFSZSA-N 320.458 4.052 0 40 DIAB Cc1cccc2nc(Cc3ccc(Br)cc3)oc12 73638711 QMRCCBPQZFIZIE-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB CC(C)(C)c1nnc(CNc2cc(-c3ccco3)ccc2F)o1 86211309 RGSRIURKGYDPAU-UHFFFAOYSA-N 315.348 4.378 0 40 DIAB CC(C)c1nc(C[S@](=O)[C@H](C)c2ccccc2F)cs1 89893568 JJYVPUISXUGVDJ-BIBXISHDSA-N 311.447 4.416 0 40 DIAB CC(C)[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccccn1 96418140 SLQAHQHHISCQMR-SFHVURJKSA-N 321.424 4.040 0 40 DIAB O=C(CNc1cccc2ccccc12)N1CCC[C@H]2CCCC[C@H]21 96969205 FIEGSPUWQRHVFU-YLJYHZDGSA-N 322.452 4.433 0 40 DIAB Cc1nc(C(=O)O[C@@H](C)c2nccs2)c(-c2ccccc2)o1 97136954 YJIDPQIPJUUOKU-JTQLQIEISA-N 314.366 4.025 0 40 DIAB Cc1cc(C)c([C@H](C)NCc2ccc([S@](C)=O)cc2)c(C)c1 97227509 XAVYDQIZCBQCFK-KSFYIVLOSA-N 315.482 4.200 0 40 DIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1C[C@H]2C=C[C@H]1C2 102090142 JICZKJJTRCULNU-WSHAZVDXSA-N 316.404 4.403 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1ccc(C)cc1 113959995 GZZZBOQWQQKKJD-YOEHRIQHSA-N 315.388 4.169 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223225134 JXZRGYKHCKLWAV-ZFWWWQNUSA-N 319.445 4.431 0 40 DIAB Cc1ccccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225016323 AOEWGKPZRZSDJR-IBGZPJMESA-N 306.361 4.223 0 40 DIAB Cc1cc(Br)cc2sc(Br)nc12 225307921 YLZGLBZREOUEAW-UHFFFAOYSA-N 307.010 4.130 0 40 DIAB CC(C)Oc1ccccc1NC(=S)Nc1ccc(F)cc1 225460721 XBQMHCWQMFCOOF-UHFFFAOYSA-N 304.390 4.422 0 40 DIAB C[C@H](NC(=O)c1ccc2sc(Cl)nc2c1)c1ccccc1 225977358 NREBBHGMLLNMMC-JTQLQIEISA-N 316.813 4.441 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 260905642 RHFZGILALATDSM-SLEUVZQESA-N 312.240 4.231 0 40 DIAB Cc1ccc(C2=N/C(=C/c3ccc4ccccc4c3)C(=O)O2)cc1 58894 NGKXGSJZKZTKJK-CPNJWEJPSA-N 313.356 4.493 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CCc2ccccc21 140068 VPMMVEONLTVGLR-BXUZGUMPSA-N 310.224 4.167 0 40 DIAB NC(CSCc1ccccc1)CSCc1ccccc1 1743629 PLVMFUPNOBBYJN-UHFFFAOYSA-N 303.496 4.181 0 40 DIAB O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CCCN2CCCC[C@H]12 4577400 GRDMMPXVOYPCJQ-XJKSGUPXSA-N 322.836 4.153 0 40 DIAB biogenic COc1ccc(Cl)c2sc(NC(=O)c3cccs3)nc12 5256575 SFOYAFNCDWOLNC-UHFFFAOYSA-N 324.814 4.272 0 40 DIAB COc1cc(NC(=O)Cc2cccc3ccccc23)cc(OC)c1 6385869 GFWBHHAMGWUKHV-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1cccs1 7990504 YMXHKRBZUYDXHI-MRXNPFEDSA-N 308.406 4.274 0 40 DIAB Cc1sc2ncnc(NCCc3ccc(F)cc3)c2c1C 8177839 ZFKHDKTZHVKPGN-UHFFFAOYSA-N 301.390 4.102 0 40 DIAB Cc1cc(SCC(=O)c2ccc(C(C)C)cc2)nc(C)n1 12016872 HKVPXSRVHZAYFF-UHFFFAOYSA-N 300.427 4.192 0 40 DIAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1 12980793 GQADKWCWSYFAAV-UHFFFAOYSA-N 323.367 4.335 0 40 DIAB CCCCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14258437 MGPQHDZGEJTZQJ-UHFFFAOYSA-N 324.424 4.387 0 40 DIAB O=C(Nc1ccc2nsnc2c1)c1cccc2ccccc12 15841245 OFBBVAIEYZKLKQ-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB Cc1ccc(C)c(C(=O)NCCSCc2ccccc2F)c1 17604100 AWHOSQRQNRTWRP-UHFFFAOYSA-N 317.429 4.106 0 40 DIAB FC(F)(F)c1cnc(N2CCc3ccccc3C2)c(Cl)c1 20387557 YUKKQLSTIWQAJP-UHFFFAOYSA-N 312.722 4.317 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1C 20481356 OBQIENVOQIXORQ-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C 22006555 KMRRSZRBKNWLFC-WMZOPIPTSA-N 310.441 4.065 0 40 DIAB C[C@@H](NCc1ccc(-c2ccccc2)o1)[C@H](O)c1ccccc1 22076472 PZQNNDCAUSTISI-QRWLVFNGSA-N 307.393 4.158 0 40 DIAB Oc1cccc2ccc(N3CCC(Cc4ccccc4)CC3)nc12 22405355 KUYSWJINQATVSO-UHFFFAOYSA-N 318.420 4.400 0 40 DIAB FC(F)(F)c1ccc2c(Cl)nc(C(F)(F)F)nc2c1 26894554 QZMMXNPFCLSURE-UHFFFAOYSA-N 300.589 4.321 0 40 DIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1F 27878038 QCYHHSPGZFKKMR-JQWIXIFHSA-N 323.717 4.330 0 40 DIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C)c(F)c2)n1 31543771 LYOOPBJQUVDOEC-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB Cc1cccc(Oc2ccccc2NC(=O)c2cnc(C)cn2)c1 32997803 WVJKQTTZVCCHPF-UHFFFAOYSA-N 319.364 4.138 0 40 DIAB CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 33889430 ASARAWRSNVJSBQ-JQZTVVIASA-N 300.442 4.172 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)nc2C)cc1 44676305 JEUSTCYXKSIALI-UHFFFAOYSA-N 309.291 4.361 0 40 DIAB Nc1cc(Cl)cc(Br)c1NC1CCCCC1 45886138 RXNDJDSNJAGVHG-UHFFFAOYSA-N 303.631 4.429 0 40 DIAB Cc1ccc2c(CN(C)Cc3cccs3)cc(=O)oc2c1C 57024649 YPBDKENKJHJLDT-UHFFFAOYSA-N 313.422 4.103 0 40 DIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cc3ccccc3[nH]2)o1 65522121 DLUZKVUOZYMCDQ-YTQJUZQYSA-N 320.392 4.214 0 40 DIAB C[C@H](c1cccc2ccccc12)N(C(=O)Cc1ccon1)C1CC1 73055008 TWYHEHMPAMDPQA-CQSZACIVSA-N 320.392 4.123 0 40 DIAB CCCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Cl 76275154 KNYBVEPMSCABJJ-UHFFFAOYSA-N 319.788 4.439 0 40 DIAB CCc1c[nH]nc1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 79022869 WWDSZQRVAWRFNI-UHFFFAOYSA-N 323.183 4.013 0 40 DIAB CC(C)c1ocnc1C(=O)Nc1ccnc(Oc2ccccc2)c1 79310342 PDAZNXJTJHVEEN-UHFFFAOYSA-N 323.352 4.238 0 40 DIAB C[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 84651527 YSKDCNYJCKYMMV-JSGCOSHPSA-N 323.362 4.130 0 40 DIAB CC1(C)NC(=O)c2c(nc(-c3ccccc3)c3c2CCCC3)S1 95117550 ODHBIZMRVUSZNR-UHFFFAOYSA-N 324.449 4.199 0 40 DIAB COC(=O)c1cc(SCc2nc(C)c(C)o2)ccc1Cl 96466056 JKJMNTQKSGAHMR-UHFFFAOYSA-N 311.790 4.024 0 40 DIAB Cc1nc(C2=C(O)CN(C3CCCCCCC3)C2=N)sc1C 102721586 UOWQPQDCPRJPGR-UHFFFAOYSA-N 319.474 4.435 0 40 DIAB BrC1(Br)[C@@]23CC=CC[C@@]12CCCC3 104130029 GSITYKYIQRKAAY-AOOOYVTPSA-N 306.041 4.383 0 40 DIAB Cc1ccc(C(=O)N2CCS[C@H](c3ccco3)CC2)cc1F 219416623 HXYUIDYBSDGPOC-INIZCTEOSA-N 319.401 4.048 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COC 224684271 OSRQTEXDPQKSMJ-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CCOP(=O)(OCC)O[C@@](C)(c1ccccc1)C(F)F 306145749 PACXEIBKRJRHNM-ZDUSSCGKSA-N 308.261 4.365 0 40 DIAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2C)cc1 409198202 ZQOUHDMLJXNLLP-VXPUYCOJSA-N 322.433 4.112 0 40 DIAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 355534 CNEIANKZNDCOBY-GFCCVEGCSA-N 308.381 4.332 0 40 DIAB CCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 1892704 DGQUSOAHCBPMFH-UHFFFAOYSA-N 303.402 4.260 0 40 DIAB O=C(CCCC(=O)OC/C=C/c1ccccc1)Nc1ccccc1 3169157 WZEKXDMYBLGWKQ-DHZHZOJOSA-N 323.392 4.052 0 40 DIAB CN(C)CCCN1C[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C1 4946260 BTJLGJXSCRPCIT-FXELSEDVSA-N 316.533 4.177 0 40 DIAB O=c1[nH]c(=S)[nH]c2c1[C@H](C1CCCCC1)Cc1ccccc1-2 5687450 XLXBITNIOOSXGN-AWEZNQCLSA-N 312.438 4.319 0 40 DIAB O=C(O)c1ccccc1SCc1ccc(Br)cc1 6222349 ITEYFCUZWSWOKH-UHFFFAOYSA-N 323.211 4.440 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1 6567082 XQJYNKHIFPEFQZ-UHFFFAOYSA-N 318.380 4.006 0 40 DIAB CCCCN(C)Cc1c(C)nc2c(C)c(Cl)ccc2c1O 8717943 HKGVOOFCUPTGOW-UHFFFAOYSA-N 306.837 4.443 0 40 DIAB Cc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 14679079 VXXAQLGMLOVHPE-UHFFFAOYSA-N 301.415 4.147 0 40 DIAB O=C(NCCSc1ccccc1)c1cc2ccccc2s1 15136971 WBGGRLYQOOUASL-UHFFFAOYSA-N 313.447 4.423 0 40 DIAB COc1ccc2c(c1)CC1=C2CC[C@@]2(C)C1=CCC[C@H]2OC(C)=O 16321661 JGFILNAUHJYOTK-RTWAWAEBSA-N 324.420 4.457 0 40 DIAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(C)s3)o2)c1 17709892 SCXKTSFYHGBIHY-VIFPVBQESA-N 318.427 4.058 0 40 DIAB CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736508 WQQJMFKGQHQBTF-UHFFFAOYSA-N 318.804 4.209 0 40 DIAB C1=CC[C@H](CN2CCN(Cc3cccc4ccccc34)CC2)CC1 19880291 ROAYTCQGBNKYLT-IBGZPJMESA-N 320.480 4.314 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 22538089 TWECQYZTJIVVJO-ZDUSSCGKSA-N 301.361 4.024 0 40 DIAB CC[C@H]1CCc2sc(C(=O)Nc3cccc(C)n3)cc2C1 27655580 BHWPAZPAMOGTCP-LBPRGKRZSA-N 300.427 4.219 0 40 DIAB CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38833639 XDOJTDOJYPRKJL-IBGZPJMESA-N 322.452 4.100 0 40 DIAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1cnn(C)c1 54851022 GWXFZMYUHMOOLX-UHFFFAOYSA-N 313.445 4.238 0 40 DIAB Nc1nc(Cl)cc(N2CCC[C@H]2c2cccc3ccccc23)n1 57148558 OMMRFNQAWFTVNY-HNNXBMFYSA-N 324.815 4.207 0 40 DIAB CCn1ncc2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc21 58087504 UNPMCRYULCTFJI-CQSZACIVSA-N 307.397 4.189 0 40 DIAB CCc1cc2c(N(Cc3ccsc3)C3CC3)ncnc2s1 64115564 PTOZBAGJTOTAFM-UHFFFAOYSA-N 315.467 4.484 0 40 DIAB COc1cccc(OC)c1[C@H]1CCCCN1C(=O)OC(C)(C)C 72221446 NRTIHBKVMOYJNV-CYBMUJFWSA-N 321.417 4.166 0 40 DIAB CC(C)[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95949125 AGSWPYSWOJUEHQ-IACUBPJLSA-N 313.363 4.312 0 40 DIAB CC(C)c1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 102564597 KHXGRNUSQSCJOM-IBGZPJMESA-N 316.408 4.458 0 40 DIAB CC(C)C(NC(=O)COc1ccc(C(C)(C)C)cc1)C(C)C 113946249 JHULOVPUOGBYMG-UHFFFAOYSA-N 305.462 4.160 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 216739153 MHLWADXUSIDHNG-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB CC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223199697 GJQXVEFKMLVVEN-MRXNPFEDSA-N 301.430 4.257 0 40 DIAB C[C@@H]1CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(F)cc21 223233677 KZEDDYYVUXNQFR-LLVKDONJSA-N 317.360 4.409 0 40 DIAB CCCc1ccc(C(=O)NCc2cccnc2-c2ccco2)cc1 225659600 OAKOXVACURQLQW-UHFFFAOYSA-N 320.392 4.224 0 40 DIAB COc1ccccc1NC(=O)NCCCc1ccccc1Cl 225768732 YULBXVBBVBEDNB-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB CC(C)Oc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1 225867379 CEXCRXHHURWVNO-UHFFFAOYSA-N 318.486 4.483 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251055199 TWZWHAWDMUHRRH-XSWJXKHESA-N 315.457 4.056 0 40 DIAB CC(C)N1CCC[C@@H](c2ccc(-c3ccccc3C(=O)O)cn2)C1 257266893 MFAFDOJEDKKCTE-MRXNPFEDSA-N 324.424 4.035 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)nn2)cc1C 408526999 DEESOXQBVLBPRZ-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB CSc1cc(C)n(Cc2ccccc2)c(=S)c1C(C)=O 344315 CQGNDNJUVOERLG-UHFFFAOYSA-N 303.452 4.499 0 40 DIAB O[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)Oc2ccccc21 1023937 VBRFJCHHHLDPTG-LEWJYISDSA-N 302.373 4.446 0 40 DIAB O=c1c(Cc2cccnc2)cc2sccc2c2ccsc12 1410532 YTMQINFKHWCAAO-UHFFFAOYSA-N 309.415 4.462 0 40 DIAB CC(C)c1ccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)cc1 1714389 GESMGZANQJBLDS-SFQUDFHCSA-N 305.377 4.157 0 40 DIAB O=C(Nc1nccs1)c1cc(-c2ccco2)nc2ccccc12 2620905 AONFLTXJKGUEML-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB aggregator Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 2658946 DZVQXXMUMDMNND-LBPRGKRZSA-N 321.323 4.002 0 40 DIAB Cc1cc(Cl)ccc1OCC(=O)n1c(C)nc2ccccc21 2757162 QHKPMSKVQPYKMN-UHFFFAOYSA-N 314.772 4.026 0 40 DIAB Cc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1 4120003 FFIINSIQTMUNMJ-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB S=C(NCc1cccc(Cl)c1)Nc1ccc(Cl)cc1 4651103 BGVKELMECDYYSU-UHFFFAOYSA-N 311.237 4.480 0 40 DIAB Cc1ccc(/C=C/c2nn3c(-c4cccs4)nnc3s2)cc1 4776351 ODCWLFAHTBSEHY-CMDGGOBGSA-N 324.434 4.393 0 40 DIAB CCc1cccc(OCCSc2ccc(NC(C)=O)cc2)c1 6602928 RDIKELUCPVDRLU-UHFFFAOYSA-N 315.438 4.379 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)cc2)C1=O 6657293 KCIDWPJWQVUVTE-PKVLTRFUSA-N 319.426 4.310 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2[C@H]2CCCC[C@H]2C)cc1 6680152 CHCRBWOCGQHFCL-RISCZKNCSA-N 303.431 4.367 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCCCC1 6831388 JSUWLSUHDZZVRL-JLHYYAGUSA-N 324.399 4.468 0 40 DIAB Cc1cc(COC(=O)c2ccc(-c3ccccc3Cl)o2)no1 7932346 XYSJHSKCGUHONR-UHFFFAOYSA-N 317.728 4.253 0 40 DIAB Cc1ccc(C)c([C@H](C)CNC(=O)c2cccc3cccnc23)c1 9314990 WJJKZASTASESFC-MRXNPFEDSA-N 318.420 4.385 0 40 DIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cccc2ccccc12 12186450 SHQYWKYPVMUKHC-LAUBAEHRSA-N 315.420 4.200 0 40 DIAB COc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12853101 UOTCOGMURVXJHI-QGZVFWFLSA-N 315.800 4.230 0 40 DIAB Clc1ccc(CSC2=N[C@@H]3CCCC[C@@H]3N2)c(Cl)c1 14196644 AGKZKKKAAZXHSZ-BETUJISGSA-N 315.269 4.497 0 40 DIAB COc1ccc(C(C)=O)cc1CN1c2ccccc2CC[C@H]1C 15303995 UOJCFKCHWCQWDL-CQSZACIVSA-N 309.409 4.239 0 40 DIAB COc1ccc(NCc2nc3ccccc3nc2C)cc1Cl 16265215 KELCSVBHFWPEIL-UHFFFAOYSA-N 313.788 4.212 0 40 DIAB COc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1F 18131249 ZEKYDSYXIVTJSJ-QGZVFWFLSA-N 315.388 4.352 0 40 DIAB CCOC(=O)c1cc2ccccc2nc1COc1ccccc1C 19909755 RIRCFLSPRHESGT-UHFFFAOYSA-N 321.376 4.299 0 40 DIAB CC(C)C[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1 21835717 DSBDESKZFBBYAJ-SFHVURJKSA-N 315.388 4.108 0 40 DIAB FC(F)(F)c1ccnc(Sc2nc3ccccc3s2)n1 24052581 DAILQSAIAPFEOA-UHFFFAOYSA-N 313.329 4.256 0 40 DIAB Cc1cc(C)c(NC(=O)Cn2cc(C=O)c3ccccc32)c(C)c1 33508992 ILQAPPFYHYGFLC-UHFFFAOYSA-N 320.392 4.018 0 40 DIAB CCc1ccc(-c2cn3nc(-c4ccccc4)cnc3n2)cc1 38151028 KDDRHXQVNUBFHT-UHFFFAOYSA-N 300.365 4.021 0 40 DIAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2ccncc2)cc1C 71835231 XCJJLNQNSBDVRO-XUVXKRRUSA-N 320.436 4.166 0 40 DIAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1Cc1ccccc1 72218767 JAZIMHBHWOMFCS-LJQANCHMSA-N 309.457 4.183 0 40 DIAB CC[C@@H](C)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)on1 72295644 OGEYYAWOJTXNLI-DGCLKSJQSA-N 319.430 4.012 0 40 DIAB CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(F)cc1 78040296 IYDRQQWEPNPRHL-UHFFFAOYSA-N 310.328 4.147 0 40 DIAB C[C@@H](CC(=O)N1CCc2c([nH]c3ccccc23)C1)c1ccccc1 89916694 HUSIHMIBVNWYLO-HNNXBMFYSA-N 318.420 4.246 0 40 DIAB CC(C)N(Cc1cccnc1)Cc1cc(-c2ccccc2)no1 95977254 OTJIEYRCHNTMTK-UHFFFAOYSA-N 307.397 4.147 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(CO)[C@@H](CC[C@@H]12)C3 100060809 XEQHVCXFKPCQNM-KPWCVIRISA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro CCOc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1 225108293 PBVFMDYWQHSLHR-KRWDZBQOSA-N 316.422 4.182 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225686501 HQWSUPFFEAMDRD-SFHVURJKSA-N 307.434 4.234 0 40 DIAB C[C@H](Oc1cccc2ccccc12)c1nc([C@H]2CCCOC2)no1 554832485 UJBFQTULAMZFTK-ZFWWWQNUSA-N 324.380 4.257 0 40 DIAB Cc1c(C2CC2)[nH]c2ccc(OCc3ccccc3)cc2c1=O 685938445 SFRFLBLFDKONPW-UHFFFAOYSA-N 305.377 4.293 0 40 DIAB O=C(Nc1nccnc1-c1ccccc1)C1CCCCCCC1 1525337881 SZUGPHGNPMYXNC-UHFFFAOYSA-N 309.413 4.443 0 40 DIAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2Cl)cc1 144497 HCRASOABGVONEU-FMIVXFBMSA-N 302.757 4.358 0 40 DIAB CCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCO4)c2c1 149802 QSEGWKFXAUKLFA-UHFFFAOYSA-N 322.364 4.414 0 40 DIAB O=C(Nc1ccccc1Cl)c1csc(-c2cccnc2)n1 172365 RQNRKBPJNOGFQG-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB COc1cc(NC(=O)c2ccc(C)cc2C)c(OC)cc1Cl 557918 POFDUGPIQGVOOX-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)O)cc1 798277 RWVVACUFRALMQN-UHFFFAOYSA-N 303.383 4.016 0 40 DIAB Cc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)N2)cc1 1441675 BNMZKHRNDDTHHJ-UYRXBGFRSA-N 312.372 4.066 0 40 DIAB O=C(CC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 1465712 WOFGBFLCVNUIHR-UHFFFAOYSA-N 308.164 4.205 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1cccc(C(F)(F)F)c1 2514632 OQSPXIRQPHIVAQ-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB O=C(NCc1cccs1)C1(c2ccc(Cl)cc2)CCC1 3353144 XDDYQBDRMBGVBZ-UHFFFAOYSA-N 305.830 4.140 0 40 DIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(F)c1 3483552 MPQCUULQLLLEGK-UHFFFAOYSA-N 316.332 4.341 0 40 DIAB CC(C)N1CC[C@@H](CC(O)(c2ccccc2)c2ccccc2)C1 4537370 MBVRSTMYIZMMCP-SFHVURJKSA-N 309.453 4.043 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCCc1ccccc1 4657681 WSRLUIPSVUMHCH-UHFFFAOYSA-N 313.441 4.062 0 40 DIAB CC[C@H](CO)NCc1ccc(-c2cc(Cl)ccc2Cl)o1 4942872 WHYMIYDTVBPNCA-LLVKDONJSA-N 314.212 4.114 0 40 DIAB O=C(O)C/C(=C\c1c(F)cccc1F)c1nc2ccccc2o1 5110262 LYRBWYYBMFFDQZ-CSKARUKUSA-N 315.275 4.121 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1 6509190 JWEGIWPDAKYNAQ-NSHDSACASA-N 323.223 4.140 0 40 DIAB CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1 7176717 DEOHHYYSDRQMJW-GFCCVEGCSA-N 320.483 4.063 0 40 DIAB O=C(Nc1cccc(Cl)c1)[C@H]1COc2ccc(Cl)cc2C1 7944616 MQYDXYFSCPRHHD-LLVKDONJSA-N 322.191 4.183 0 40 DIAB COc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1 12157438 HZEBCQQMFHBCEN-UHFFFAOYSA-N 301.411 4.207 0 40 DIAB CCc1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 12764932 YLNWKKYCYYECCO-OUKQBFOZSA-N 317.392 4.087 0 40 DIAB CCCCc1ccc(CC(=O)Nc2cccc(NC(C)=O)c2)cc1 16643997 YQJMGDMVYNJSEJ-UHFFFAOYSA-N 324.424 4.169 0 40 DIAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1 20719710 SQOBHLUUXAIIAX-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB COCCNc1nc(-c2cc3cc(Cl)ccc3o2)cs1 25317689 IVBBJPFZNCDBOS-UHFFFAOYSA-N 308.790 4.268 0 40 DIAB Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)nc1 27641601 GDVOPUTVTBPTRO-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB Cc1ccc(Cn2c(CO)nc3cc(Cl)c(Cl)cc32)cc1 28304753 HWALNOWQOIMSTK-UHFFFAOYSA-N 321.207 4.192 0 40 DIAB O=C(CC1CCCCC1)N[C@@H](c1ccccc1)c1ccccn1 29711641 QRMDEXFFBRUGKJ-FQEVSTJZSA-N 308.425 4.258 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@H]1c1ccncc1 32907465 WCBRRIJYWISPOS-FQEVSTJZSA-N 316.404 4.141 0 40 DIAB Cc1ccsc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 32931078 FBXXXQWKFFKIKT-JTQLQIEISA-N 311.353 4.149 0 40 DIAB CCCCN1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216647 JRBULOBJZDXWEY-GOSISDBHSA-N 301.478 4.399 0 40 DIAB CCSc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cn1 72303325 JZJBOYAAYOOSAG-CXAGYDPISA-N 312.438 4.027 0 40 DIAB Cc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1Cl 73639462 KGNWRDZVHMGTRD-UHFFFAOYSA-N 324.771 4.346 0 40 DIAB O=C(CN1C[C@@H]2CCCC[C@@]21c1ccccc1)Nc1ccccc1 79103719 VWFOIORFOGTVHU-GHTZIAJQSA-N 320.436 4.026 0 40 DIAB CC[C@@H](NCc1ccc(NC(=O)OC)cc1)c1cccs1 95420441 AMBFDOUHLPYPMU-CQSZACIVSA-N 304.415 4.167 0 40 DIAB CN(CC(C)(C)C)C(=O)c1conc1-c1ccc(Cl)cc1 95962363 UHEIXOXSLSLCRU-UHFFFAOYSA-N 306.793 4.113 0 40 DIAB Cc1cc(Br)cc(C=O)c1OCc1ccccc1 156819766 IFJQBFWSXKOZPK-UHFFFAOYSA-N 305.171 4.149 0 40 DIAB CN1C(=S)S[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 169685750 VWLWUCKZXTYFGA-HOTGVXAUSA-N 314.479 4.279 0 40 DIAB in-vitro CCCCOc1cccc(C(=O)n2cc(C=O)c3ccccc32)c1 216957260 XJABGNAANIKNGM-UHFFFAOYSA-N 321.376 4.321 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2ccccc2C1 222977615 DCWYVDUGRCANSW-FQEVSTJZSA-N 323.436 4.046 0 40 DIAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 223980592 FQPDWSZDRPZFLL-SFHVURJKSA-N 323.436 4.265 0 40 DIAB Cc1cccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225017913 QBKPSPOZTLGBOX-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1 225021091 DUJVTIXTWVOKDR-IBGZPJMESA-N 306.361 4.223 0 40 DIAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225608351 HNYLUXYMGZBMFY-LJQANCHMSA-N 321.461 4.420 0 40 DIAB O=C(NCc1ccnc(-c2ccsc2)c1)Nc1ccccc1 225757164 WMCMYOTZUSYBNX-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB Fc1cccc(F)c1NC(=S)NC1(c2ccco2)CCCC1 225860373 FTWAYJLAGUBQDV-UHFFFAOYSA-N 322.380 4.314 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)O 245239782 MGMOLZNAUACBCR-UBOBUHSGSA-N 318.457 4.011 0 40 DIAB CCOc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1 1476114 PFILNMBYKGWPSX-UHFFFAOYSA-N 319.744 4.162 0 40 DIAB Cc1csc(NC(=O)c2ccc(OCCC(C)C)cc2)n1 2623159 DAOKQRAFAJQNBL-UHFFFAOYSA-N 304.415 4.129 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(OC(F)F)cc1 3303620 SCDBWROCPZMOJV-GXFFZTMASA-N 314.401 4.153 0 40 DIAB CCc1ccc(NC(=O)c2cccc(Br)c2)cc1 3566857 NHBNPLUKZQIVPF-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB COc1ccc2sc(Nc3nc(C)c(C(C)=O)s3)nc2c1 4359824 QYHGAJTWQBAXAO-UHFFFAOYSA-N 319.411 4.016 0 40 DIAB O=C(NCCSCc1ccccc1Cl)c1ccccc1 4739898 UUUODHZGBNRRMM-UHFFFAOYSA-N 305.830 4.003 0 40 DIAB OCC[C@H]1CCCCN1[C@H](Cc1ccccc1)c1ccccc1 4777673 INMDWRODOYMYGJ-NHCUHLMSSA-N 309.453 4.207 0 40 DIAB CCN(CC)c1ccc(-c2nnc(S)n2-c2ccccc2)cc1 6472811 FGIGVYKZFBVZRC-UHFFFAOYSA-N 324.453 4.069 0 40 DIAB Cc1cccc(OCCCCn2c(C=O)nc3ccccc32)c1 6607655 RYQOHOCYAVQSBI-UHFFFAOYSA-N 308.381 4.016 0 40 DIAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2cccc3ccccc23)C1 7811086 FSIXEABZFZUHLX-XHSDSOJGSA-N 310.441 4.145 0 40 DIAB Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2nc1C 8060531 XPMFHQUBEUBAAY-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB CCCC(=O)Nc1cccc(-c2nnc(-c3cccc(C)c3)o2)c1 8186964 MCDJSCDBOXMRMD-UHFFFAOYSA-N 321.380 4.451 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3cc(C)on3)cc2)cc1 8315641 ZWPONQJSXKTBEW-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 8449193 TYNUDDMPAXGYKW-UHFFFAOYSA-N 321.254 4.204 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)c1 12586951 OXLLLCIVZZYQEQ-OAHLLOKOSA-N 308.425 4.231 0 40 DIAB Cc1cccc(NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1 15190230 RNYIJYXZGKSGMJ-UHFFFAOYSA-N 309.196 4.186 0 40 DIAB CCOc1ccccc1NC(=O)CCSc1ccccc1 15657446 CQHWKFKIOUTZIM-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB O=C(c1ccco1)N(Cc1cccc(Cl)c1)Cc1ccco1 15831069 ZEXJEENXQGOMGF-UHFFFAOYSA-N 315.756 4.369 0 40 DIAB CCCC(=O)NCc1ccc(-c2nc3ccc(C)cc3o2)cc1 16636984 JLIYUHAIAVXDDO-UHFFFAOYSA-N 308.381 4.220 0 40 DIAB CN(C)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)[nH]c1=O 17020925 JSWXIWMLGUHYJY-UHFFFAOYSA-N 324.811 4.428 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2)cc1 20495190 VGIFRUFDQNDYNR-GFCCVEGCSA-N 303.789 4.230 0 40 DIAB C[C@H](NCc1ccc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 22076471 PZQNNDCAUSTISI-MGPUTAFESA-N 307.393 4.158 0 40 DIAB CC(C)(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 25034390 WZIXDFKQJSUBHY-LJQANCHMSA-N 321.424 4.205 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)C1CCCCC1 38754306 HIGYIWVOCPACRU-HNNXBMFYSA-N 303.446 4.368 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 40012189 KOSUTZQLHKADKS-WFASDCNBSA-N 303.427 4.056 0 40 DIAB COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)ccc1C 40074611 QMPPYJONQBAILR-JTQLQIEISA-N 309.818 4.210 0 40 DIAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc2cc[nH]c2c1 43031090 KWLGPFXIPUSORA-NSHDSACASA-N 314.335 4.279 0 40 DIAB CCCCCC[C@@H](C)NC(=O)Nc1ccc(NC(C)=O)cc1 48312360 NQQYXRYXKCZDGA-CYBMUJFWSA-N 305.422 4.125 0 40 DIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)nc1 71844286 PESRCGYUOCIALE-RTBURBONSA-N 308.425 4.188 0 40 DIAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72213517 SCFOKPYATPPPAT-CRAIPNDOSA-N 323.440 4.269 0 40 DIAB O=C([C@H]1CC=CCC1)N1CCC(CSCc2ccco2)CC1 85472476 CQKSMOKFQPGJRJ-INIZCTEOSA-N 319.470 4.108 0 40 DIAB Cc1cccc(CSCCOc2ccc(C(=O)O)cc2)c1 95470848 RKBGGZPGILWJNM-UHFFFAOYSA-N 302.395 4.005 0 40 DIAB O=C1NCC[C@H]1S[C@H](c1ccccc1)c1ccc(Cl)cc1 95971775 WGALHKDXVVZRPS-HZPDHXFCSA-N 317.841 4.051 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1C 219946319 DCIWETIPIQZGBN-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COC(C)C 224424345 AGJWLJCYUXFEOL-UHFFFAOYSA-N 317.360 4.012 0 40 DIAB CCOc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1Cl 225135195 HKWRPONJADUHCS-CYBMUJFWSA-N 317.816 4.272 0 40 DIAB Cc1ccccc1OS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861810 MBTJJQPPRCKFBH-UHFFFAOYSA-N 324.401 4.015 0 40 DIAB C[C@@]1(Cc2ccc(Cl)cc2)CCc2cc(C(=O)O)ccc2O1 2037873371 FBEMCJADDWDNRY-SFHVURJKSA-N 316.784 4.365 0 40 DIAB C[C@]1(Cc2cccc(F)c2Cl)Cc2cc(C(=O)O)ccc2O1 2037895073 BWSUJLOISRBJQV-KRWDZBQOSA-N 320.747 4.114 0 40 DIAB Cc1ccc(OC(=O)c2ccccc2Br)cc1C 129461 XRKNLMCXCXEIKE-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 274112 LYHSXAWPVRCZDA-UHFFFAOYSA-N 320.421 4.193 0 40 DIAB Cc1ccc2nc(Cl)c([C@@H]3NC(=O)c4ccccc4N3)cc2c1 421618 JRIRKBFTUAIUFY-KRWDZBQOSA-N 323.783 4.051 0 40 DIAB Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCC4)cc1 552471 VKQMQORETWGNSA-UHFFFAOYSA-N 323.421 4.131 0 40 DIAB O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1 800875 JVPTXRIDTOXHSR-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB aggregator O=C([C@H]1CC1(c1ccccc1)c1ccccc1)N1CCCCCC1 983788 CYCPDIDKUAQIJI-HXUWFJFHSA-N 319.448 4.395 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc3ccccc23)c1C 2620425 WCNGRDBAMHXFSV-UHFFFAOYSA-N 306.365 4.240 0 40 DIAB Cc1ccc(C)c(OCCC(=O)N[C@@H]2CCCc3ccccc32)c1 2635625 GMJYEMLUAZIESS-LJQANCHMSA-N 323.436 4.266 0 40 DIAB CCOc1ccc(NC(=S)NCc2cccc(Cl)c2)cc1 3325937 QZVDDMDQYOBMKS-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB Cc1ccc2c(COC(=O)c3ccc(C)c(C)c3)cc(=O)oc2c1 3513953 AIRNUSZQMYYBRN-UHFFFAOYSA-N 322.360 4.075 0 40 DIAB CC(=O)c1cccc(NC(=O)Nc2cn(C)c3ccccc23)c1 5265813 OAHMVZPBAKBTGE-UHFFFAOYSA-N 307.353 4.025 0 40 DIAB CCCCC1=N[C@H]2Sc3c(OC)ncnc3[C@@H]2C2=C1CCC2 6309830 HYHRKZCFCQWYHI-GUYCJALGSA-N 315.442 4.126 0 40 DIAB COc1cccc(-c2noc(-c3ccc(C)c(Cl)c3)n2)c1 7781335 GTWOYTSDGFFYBZ-UHFFFAOYSA-N 300.745 4.374 0 40 DIAB CC(C)NCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 7980521 CBQQDMWINOKZMP-UHFFFAOYSA-N 306.409 4.026 0 40 DIAB Cc1c(NC(=O)C(F)(F)F)cccc1-c1nc2ccccc2o1 8053970 OLGAESFNVUOSBZ-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CO[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 8106366 MHIBFVBIXVCXMX-CQSZACIVSA-N 310.180 4.320 0 40 DIAB COc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 10111738 WGNWESIDZDTLBQ-CQSZACIVSA-N 311.425 4.484 0 40 DIAB CCc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 10334444 CCMKDIWMVMTGFQ-UHFFFAOYSA-N 301.817 4.151 0 40 DIAB CC(=O)Nc1ccc(Oc2cc(C)nc(-c3ccccc3)n2)cc1 12410035 JEQDANATASYJDT-UHFFFAOYSA-N 319.364 4.203 0 40 DIAB C/C1=C/CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2/C=C(\C)CC1 13136368 BYFVAWVWHDPHGP-PSFPTMKISA-N 317.473 4.097 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C)cc2C)cc1 13932681 PYDOXKXBBPUMKK-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB CC(C)CC[C@@H](CCNCCN(C)C)c1ccc(Cl)cc1 20573011 DUVJODRJCXSKDJ-KRWDZBQOSA-N 310.913 4.401 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(F)cc1 22511952 MFMIRKLFLPMUHI-KRWDZBQOSA-N 315.388 4.493 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)s1 26749374 UFMHZZPUICZKCB-MNOVXSKESA-N 313.850 4.059 0 40 DIAB C[C@H]1CCc2nc(NC(=O)Nc3ccc(F)cc3F)sc2C1 32611086 UFRMFVRSIJIYJY-QMMMGPOBSA-N 323.368 4.190 0 40 DIAB Fc1ccccc1COc1ccccc1CNc1nccs1 35287350 URKDYEJKENOWPB-UHFFFAOYSA-N 314.385 4.473 0 40 DIAB C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 40103189 JLBMRSFPIHYWID-NSHDSACASA-N 306.312 4.171 0 40 DIAB CC(=O)c1cccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c1 40463479 CXSPOQHFIGCRQF-ZDUSSCGKSA-N 321.380 4.421 0 40 DIAB Cc1cc2nc(-c3cccc(-n4cnnc4)c3C)oc2cc1C 45920659 RUKGMRJMHREKEG-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB Cc1cc(C)n(-c2cccc(NC(=O)c3sccc3C)c2)n1 48288423 ZECOVXJHAKGFLA-UHFFFAOYSA-N 311.410 4.111 0 40 DIAB Cn1c(SCCCc2ccccc2)nnc1-c1ccccc1 57745926 XETLDENYPLWZMP-UHFFFAOYSA-N 309.438 4.207 0 40 DIAB CCCCN(CC)CC(=O)Nc1c(Cl)cccc1Cl 58216918 VQVYCRBFHYOSGF-UHFFFAOYSA-N 303.233 4.054 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C 59351206 OPRYOOFHSNCKFE-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)NC1CCCCC1 70250522 HMQYGYPJMLZIAW-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB Cc1ccccc1NC(=O)CSc1ncc(C(C)(C)C)o1 95416495 HIZCFBKBCWMNPX-UHFFFAOYSA-N 304.415 4.011 0 40 DIAB CCC1CCC(N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 95996306 VVUCTHMEWLWGQH-SSDMNJCBSA-N 317.399 4.199 0 40 DIAB Cc1ccccc1Nc1ccc(NC(=S)NCC(C)C)cn1 223879598 ILQVEUABRKWPFH-UHFFFAOYSA-N 314.458 4.076 0 40 DIAB CCC1(CC)C[C@H](NC(=O)c2ccccc2)c2ccccc2O1 223969466 GSMFRVLHOYABGG-KRWDZBQOSA-N 309.409 4.499 0 40 DIAB O=C(NCCC1=CCCCC1)c1cc(-c2ccc(F)cc2)on1 224065572 SPSGSNXAQLKKFM-UHFFFAOYSA-N 314.360 4.101 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCC1CCCCC1 225203289 XGOCDBDFCZUYAI-OAHLLOKOSA-N 315.457 4.029 0 40 DIAB CCCc1ccc(C(=O)NCc2ccnc(-c3ccco3)c2)cc1 225654328 FTZLFLCPNUTHEI-UHFFFAOYSA-N 320.392 4.224 0 40 DIAB Cc1cc(NC(=O)c2ccc(Cl)cc2)cc2sc(N)nc12 226310390 LRJYVHAEWDGHJG-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB CCOc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 58041 CMRGAQGEERACPR-UHFFFAOYSA-N 310.349 4.176 0 40 DIAB biogenic CCc1cc2ccc(C)cc2nc1SCC(=O)NC(C)(C)C 416700 QZRMIASWIBHOEL-UHFFFAOYSA-N 316.470 4.112 0 40 DIAB Oc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 892012 FHUJJWYALQGGRJ-UHFFFAOYSA-N 314.348 4.141 0 40 DIAB O=C(N/C=C/c1ccco1)OCc1ccc(C(F)(F)F)cc1 1382468 AIMVQUHGKXAMLK-BQYQJAHWSA-N 311.259 4.196 0 40 DIAB COc1cc(NCCN(CC(C)C)C(C)C)c2ncccc2c1 1687272 LFYKYSGZGFXCHB-UHFFFAOYSA-N 315.461 4.022 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1 2632682 SQFRTMQBVGUHTN-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB CC(=O)c1cc(Cl)ccc1OC(=O)c1cc(C)cc(C)c1 3313489 KBVHJVCKCOWFBF-UHFFFAOYSA-N 302.757 4.379 0 40 DIAB O=C(c1ccc(Cl)cc1)c1ccc(Oc2cnccn2)cc1 3407446 TVNUIDUPZPGFTJ-UHFFFAOYSA-N 310.740 4.153 0 40 DIAB CCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 4060548 YARCRWSCULCLAE-UHFFFAOYSA-N 324.449 4.070 0 40 DIAB Cc1ccc(C2=NC(C)(C)N(C(=O)c3ccccc3)C2=S)cc1 4891762 BTIFCAPHOFNSRB-UHFFFAOYSA-N 322.433 4.004 0 40 DIAB c1ccc(N2C[C@H]3COc4c(ccc5ccccc45)C3=N2)cc1 5004799 DVHWZNNXONFGQW-HNNXBMFYSA-N 300.361 4.073 0 40 DIAB COc1ccc2c(c1)CCC/C2=C\CC1(C)C(=O)CCCC1=O 6257463 RKJKAOIMUFVXMC-SDNWHVSQSA-N 312.409 4.133 0 40 DIAB O=C1CCCN1c1ccc(OCc2ccc(Cl)cc2)cc1 6588582 FQQFKDHMAZMAQJ-UHFFFAOYSA-N 301.773 4.046 0 40 DIAB COc1cccc(CSc2nnc(C)n2C2CCCCC2)c1 6939761 YYIZARNYKFULSK-UHFFFAOYSA-N 317.458 4.393 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1noc2c1C[C@@H](C)CC2 7000192 YGKKBWGFEGPDRI-VIFPVBQESA-N 304.777 4.014 0 40 DIAB CC1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 7387838 GHMITKMIBBIQDI-UHFFFAOYSA-N 320.742 4.077 0 40 DIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1CCCCC1 7950757 UQXQQYCBBXOUNA-UHFFFAOYSA-N 311.429 4.282 0 40 DIAB CCC(CC)C(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732893 JZKGDDAQGABDKW-UHFFFAOYSA-N 309.431 4.017 0 40 DIAB Cc1c(-c2csc(NC[C@H]3CCCO3)n2)oc2ccccc12 9609314 RNIYLZOZCCWUPA-GFCCVEGCSA-N 314.410 4.456 0 40 DIAB O=C(CSc1ccc(F)cc1)Nc1ccc2ncsc2c1 10217341 FSAMRMGTKNOSGI-UHFFFAOYSA-N 318.398 4.166 0 40 DIAB CCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 14255678 RAGPYGVNXVHXLL-UHFFFAOYSA-N 303.427 4.173 0 40 DIAB O=C1c2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C[C@H]1O 22008328 KVZFTTORFMNPDL-SWLSCSKDSA-N 307.176 4.073 0 40 DIAB in-vitro CCSc1ccccc1NC(=O)COc1ccc(CC)cc1 30754947 QFMYNTDOMLJGJO-UHFFFAOYSA-N 315.438 4.379 0 40 DIAB CCn1c(SCc2ccccc2)nnc1-c1ccc(F)cc1 32604044 WQPNQSYBDHUWAS-UHFFFAOYSA-N 313.401 4.396 0 40 DIAB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1 39486069 OHWBGAQLJGDWBY-PTNGSMBKSA-N 310.784 4.448 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC2(c3ccccc3)CC2)o1 40034340 GISGNQSFTKVAEU-CRAIPNDOSA-N 323.436 4.184 0 40 DIAB Clc1c(CN2CC[C@H](N3CCCC3)C2)sc2ccccc12 58328258 OWRZBSFQPPZYLN-ZDUSSCGKSA-N 320.889 4.225 0 40 DIAB Cc1ccc([C@H](CNC(=O)CCC2CCCCC2)N(C)C)cc1 58439835 NRFXYDQSLNUMHU-IBGZPJMESA-N 316.489 4.074 0 40 DIAB CCn1c(SCCc2ccccc2)nnc1-c1ccccc1 75331158 KPRNMMPJSPJPDM-UHFFFAOYSA-N 309.438 4.300 0 40 DIAB Cc1nc2ccccn2c1-c1csc(-c2cccc(N)c2)n1 85397365 PQOKZKPFFYAANV-UHFFFAOYSA-N 306.394 4.015 0 40 DIAB CCNC(=O)c1ccc(O[C@H]2CCCc3ccc(F)cc32)cc1 89977517 BJGLWAWFWDNSSO-SFHVURJKSA-N 313.372 4.032 0 40 DIAB CS[C@@H](C)CCC(=O)OCc1cc2ccccc2nc1Cl 95459576 CHNGKKMTSUQKKX-NSHDSACASA-N 323.845 4.463 0 40 DIAB Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1 100482560 OOYHPPVVTBTTKJ-BPLDGKMQSA-N 312.438 4.493 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cc2ccncc2)cc1 108421137 CYRXBNXWVLIHDR-FHWLQOOXSA-N 320.436 4.437 0 40 DIAB C[C@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1 206665066 WDVPMGFJTGJIDG-SNVBAGLBSA-N 312.291 4.051 0 40 DIAB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccccc1 216495713 GQDGKYHSSJXBDU-SFHVURJKSA-N 313.466 4.496 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 223825914 AKEHSFQABUVPBA-MRXNPFEDSA-N 323.436 4.384 0 40 DIAB CCc1nc2cc(C(=O)Nc3ccccc3Cl)ccc2n1C 225896436 RZSORXGUUHTOCN-UHFFFAOYSA-N 313.788 4.041 0 40 DIAB CCCOc1ccc(CNc2ccc(OCC)cc2)cc1OC 236846981 QRADYRWSHLOYQA-UHFFFAOYSA-N 315.413 4.495 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1ccccc1 408576164 SFJDRXDXWPLMBX-HZPDHXFCSA-N 313.466 4.305 0 40 DIAB O=C(Cc1ccsc1)N[C@H](c1ccsc1)c1cccs1 575414653 HDZCPJNOFZJOPR-OAHLLOKOSA-N 319.476 4.319 0 40 DIAB CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775971531 SPMNJYBPJGLUMQ-ROUUACIJSA-N 311.425 4.333 0 40 DIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC 149459 HDGQDPMPJCUEPP-UHFFFAOYSA-N 317.410 4.249 0 40 DIAB Cc1ccc2c(C(=O)CNc3nc(C)c(C)s3)c(C)[nH]c2c1 544337 MJCQEJYXJVXRMK-UHFFFAOYSA-N 313.426 4.153 0 40 DIAB C[C@@H]1Oc2ccccc2N(Cc2cccc(C(F)(F)F)c2)C1=O 1328527 LWQMBBWDXKPHEZ-NSHDSACASA-N 321.298 4.020 0 40 DIAB Cc1cccc(C(O)(c2cccc(C)c2)C2(O)CCCCC2)c1 1584518 BBSCPCVGQYYNFK-UHFFFAOYSA-N 310.437 4.235 0 40 DIAB O=C(O)c1ccc2ccccc2c1C(=O)c1cccc(Cl)c1 1689892 MUTAFVCIOKHAAI-UHFFFAOYSA-N 310.736 4.422 0 40 DIAB Cc1csc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1 2624631 OTUULRIZVBDEQS-UHFFFAOYSA-N 320.483 4.480 0 40 DIAB O=C(CSc1nncc2ccccc12)c1ccc(Cl)s1 2699482 SPEMSMFZTBYIEF-UHFFFAOYSA-N 320.826 4.320 0 40 DIAB Cc1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 3132004 HNUWAUXRZHWSIP-UHFFFAOYSA-N 313.356 4.047 0 40 DIAB CN(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1 3351328 ACRJCSRUQROZNY-UHFFFAOYSA-N 323.367 4.016 0 40 DIAB CCc1nnc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)s1 6634178 PYKZNLMVLJYJHG-CYBMUJFWSA-N 323.849 4.132 0 40 DIAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1Cc1ccco1 7112655 YXIGZJBCGVFPST-MRXNPFEDSA-N 310.378 4.108 0 40 DIAB CCc1cccc(CC)c1NC(=O)CN1c2ccccc2C[C@@H]1C 7587647 BAYUJCPDWXFZHN-HNNXBMFYSA-N 322.452 4.201 0 40 DIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccco2)cc1 7883969 MOQOKNYLALVRNL-LJQANCHMSA-N 318.376 4.355 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 8479791 JEHMLBDWHLJPRK-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C)c1C 8499818 ZYXQNBNSUSCBPV-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Cc1[nH]c2c(C(=O)N[C@@H](C)Cc3cccs3)cccc2c1C 12204003 RDXWWTZKUDLNHA-NSHDSACASA-N 312.438 4.207 0 40 DIAB c1ccc(C(Sc2ncnc3nc[nH]c23)c2ccccc2)cc1 13207404 VYAQYZARCPGAMD-UHFFFAOYSA-N 318.405 4.235 0 40 DIAB CCc1nc(C)cn1C(=S)Nc1ccc(Cl)c(Cl)c1 16162529 CKVBPILGFWAVKT-UHFFFAOYSA-N 314.241 4.306 0 40 DIAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(F)cc1 16316037 AONNLTSEYXIEDF-GFCCVEGCSA-N 318.417 4.272 0 40 DIAB O=C(c1cccs1)N1CCC(c2cc3ccccc3cn2)CC1 19399711 KRQCEFSNLAEHPH-UHFFFAOYSA-N 322.433 4.316 0 40 DIAB CC(C)C(NC(=O)CSCc1cccc(Cl)c1)C(C)C 20238078 BZNBITKMSWTSCP-UHFFFAOYSA-N 313.894 4.370 0 40 DIAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc(F)cc1 22526960 ZHBGWJQRGHUTSB-AWEZNQCLSA-N 317.429 4.245 0 40 DIAB Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 40525208 AUJMQYGXYYNZER-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40525640 ZENNGUDCWVZVFC-SNVBAGLBSA-N 320.742 4.455 0 40 DIAB CC(C)Oc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155180 RHVTYUQASIQBHX-UHFFFAOYSA-N 313.422 4.226 0 40 DIAB CC(C)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 65490340 QMQLFRNPRKEPMX-UHFFFAOYSA-N 312.388 4.239 0 40 DIAB COc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(Cl)c1 95446832 IGWSGAJSBPPBCF-MRXNPFEDSA-N 319.836 4.026 0 40 DIAB CCC[C@@]1(C(F)(F)F)CCCN1Cc1ccc(OC)c(O)c1 97032759 OQHMKPLSJGMCGA-HNNXBMFYSA-N 317.351 4.098 0 40 DIAB COc1ccc(C(=O)NCCCc2ccccc2Cl)cc1C 223110359 GYZKZTQHVMMMKB-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C 223452658 VBQVKUHJUMOCDV-UHFFFAOYSA-N 310.806 4.334 0 40 DIAB COc1ccc(C[C@@H](Sc2ccccc2)C(=O)O)cc1Cl 225124051 RFRCJUBXZTZUBE-OAHLLOKOSA-N 322.813 4.137 0 40 DIAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225689775 NOCCTEJGTLIFLU-GOSISDBHSA-N 307.434 4.174 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1Cl 225769197 WXHMRMUPTJYORN-ZDUSSCGKSA-N 317.816 4.456 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)c(C)n1 225885854 HAZCGBXROUQPDT-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCOC(=O)Nc1cccc(N[C@@H](C)c2cccc(O)c2)c1C 390835025 BAAREXBAZHDVHX-ZDUSSCGKSA-N 314.385 4.442 0 40 DIAB O=C(NCc1cc(-c2ccco2)cs1)Nc1ccccc1F 1775968650 JBTVCFTVSSPMFI-UHFFFAOYSA-N 316.357 4.469 0 40 DIAB CC(C)(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 340244 VDTQGSOCVMSPAJ-LGMDPLHJSA-N 305.377 4.329 0 40 DIAB COc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 352024 YUIGJLUMQINGME-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Cc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c(C)c1 385557 DFFBBSNGDKGJQQ-UHFFFAOYSA-N 324.384 4.276 0 40 DIAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc2ccccc2c1 482635 GPRNOFPJTDGIRS-WQRHYEAKSA-N 317.319 4.323 0 40 DIAB Cc1ccc(C)c(OCC(=O)Nc2cccc3ccccc23)c1 508816 NZUSTNHGWPURGJ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CC[n+]1c(/C=C(\C)NCc2ccccc2)sc2ccccc21 1920996 BKIFMBDBBCZGIW-UHFFFAOYSA-O 309.458 4.359 0 40 DIAB C[C@@H](Sc1ccccn1)C(=O)Nc1cccc2ccccc12 2745943 CXQUMTIWAZVRSP-CYBMUJFWSA-N 308.406 4.354 0 40 DIAB CN(C)[C@@H](Cc1cccc2ccccc12)C(=O)c1ccccc1 3282643 VXUNQMTYCBKKNH-FQEVSTJZSA-N 303.405 4.195 0 40 DIAB COc1cccc2sc(Nc3nnc(-c4ccccc4)o3)nc12 4137651 RUMPVQLLKOXVQY-UHFFFAOYSA-N 324.365 4.099 0 40 DIAB C[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O 4854584 SXMVILRGSKXBSM-CQSZACIVSA-N 315.372 4.067 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2C)c1 5547284 AEEATAGQDQXOGP-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2ccccc21 8392914 DUXRMAIQKXQBCC-UHFFFAOYSA-N 305.299 4.298 0 40 DIAB COc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccccc3)C2)cc1 9306456 QJPKNOHPGIBUAN-IBGZPJMESA-N 322.408 4.029 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(F)(F)F)cc1 12768638 WZWHYMXNZGEHFA-RISCZKNCSA-N 314.351 4.083 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 13709964 GKARELQFRCWXLD-VIFPVBQESA-N 311.715 4.024 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1C 26844517 MYSOUUZZQWBOJE-UHFFFAOYSA-N 324.829 4.341 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 36562707 ULMVJVBENWRWSY-CXAGYDPISA-N 317.816 4.375 0 40 DIAB CS[C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 42853372 JIQXHPWYHGTEMU-AAEUAGOBSA-N 320.483 4.101 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)n[nH]2)cc1 51315387 XICNEXHBTVUYPY-UHFFFAOYSA-N 321.380 4.036 0 40 DIAB Cc1sc2ncnc(SCc3noc(C(C)C)n3)c2c1C 52888759 TZANSJXFYWQRQA-UHFFFAOYSA-N 320.443 4.107 0 40 DIAB CCCCN(CCCN1CCOC1=O)[C@H](CC)c1ccccc1 72285252 ULNLBDMJMKYRCO-GOSISDBHSA-N 318.461 4.082 0 40 DIAB CCSc1nnc(Sc2cc(C)nc(C(C)C)n2)s1 75572378 OPXKYDXGAWSDQZ-UHFFFAOYSA-N 312.489 4.023 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100333074 QAUXTLSTIJIAJC-RTWAVKEYSA-N 309.862 4.125 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C 113970414 OYMIVMCWXJCVQP-GOSISDBHSA-N 311.425 4.086 0 40 DIAB COc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 224127749 ZAGFNSYDLXGSHL-INIZCTEOSA-N 323.436 4.384 0 40 DIAB CCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189568 BRBIOFFAJKWQGH-UHFFFAOYSA-N 323.874 4.193 0 40 DIAB COc1ccc(CC[C@H](C)Nc2n[nH]c3nc(C)cc(C)c23)cc1 257283279 OXQFRJPHLPDFRM-ZDUSSCGKSA-N 324.428 4.017 0 40 DIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1Cl 70735 RVCUFEXNUUADQA-ZROIWOOFSA-N 318.159 4.338 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 358310 ZOANMBPAUFCONJ-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB CC(C)(C)C1CCC(OC(=O)c2ccccc2C(=O)O)CC1 402414 XBWQPXSZVVYVCC-UHFFFAOYSA-N 304.386 4.147 0 40 DIAB CCCN(CCC)c1nc(-c2ccncc2)nc2ccccc12 521131 UVLDEAGIGUSGNY-UHFFFAOYSA-N 306.413 4.318 0 40 DIAB Cc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2122135 VKHYPBZVTYKYNK-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic COc1ccccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 4325368 VDSDMAWXYKVLNF-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB COc1ccc(Nc2c(-c3ccsc3)nc3cnccn23)cc1 4632382 OIBVLKKXDIJFRO-UHFFFAOYSA-N 322.393 4.210 0 40 DIAB COc1ccc(NC(=O)c2sccc2-c2ccccc2)cn1 5688222 SDKXQHSWDUFGTJ-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 6375250 KBGBDVZHZRNKMX-UHFFFAOYSA-N 319.360 4.269 0 40 DIAB CCc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 7504937 CFXIPHJSDDGEOV-UHFFFAOYSA-N 308.425 4.492 0 40 DIAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)cc1 8920150 ZTLJJVMSTWVGBA-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB Fc1ccc(CSc2nnc(Cc3ccccc3)o2)cc1 12249312 KORHCJSKNMDWDS-UHFFFAOYSA-N 300.358 4.092 0 40 DIAB Cc1cccn2c(NC(=O)C3CCCC3)c(-c3ccccc3)nc12 12520631 VCSFNXYPSRXXBP-UHFFFAOYSA-N 319.408 4.438 0 40 DIAB CNc1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc12 12809938 YYPCGLSPBOIDTA-UHFFFAOYSA-N 318.405 4.462 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 13710530 NZLGVQVIFJTSTR-INIZCTEOSA-N 301.430 4.077 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)c1ccccc1 14634205 CAUVPWHYLRGNCI-UHFFFAOYSA-N 308.406 4.395 0 40 DIAB Cc1cccc(-c2cc3ncnc(-n4nc(C)cc4C)c3s2)c1 19797083 UWWXRTRLIFTIKL-UHFFFAOYSA-N 320.421 4.469 0 40 DIAB CCCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20160533 OBUKAAQQVPIYEO-UHFFFAOYSA-N 308.333 4.027 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCCc2cccc(Cl)c2)C1(C)C 25156386 DZGGZMMTMKPSGE-HZPDHXFCSA-N 305.849 4.237 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)no2)cc1C 27583492 UGGJAVKELOIDRC-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CC(C)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 27768588 OSSVERCPBCKYBD-UHFFFAOYSA-N 322.408 4.189 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)c[nH]1 32341962 CLAHWVHGCMTUJN-VIFPVBQESA-N 319.817 4.111 0 40 DIAB Cc1cc(C)c([C@H](O)c2ccc(Br)cc2)c(C)c1 40243321 UPCDEXFOAQKHBK-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 44843374 BSINZAKPVPORIK-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Nc1cc(Cl)c(N)c(Br)c1NC1CCCCC1 45891301 OMRUYPRRFDBTBX-UHFFFAOYSA-N 318.646 4.012 0 40 DIAB CCc1cc2c(=O)[nH]c(-c3ccc4[nH]c(C)c(C)c4c3)nc2s1 54752580 HHPCHHCOOYDTAD-UHFFFAOYSA-N 323.421 4.312 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccccn2)o1 55522507 AIFPTSBRZJKFMB-QGPMSJSTSA-N 324.424 4.094 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[C@@H](C)C2)c1 60694475 KBBKUPCOVGEDRI-CVEARBPZSA-N 303.446 4.144 0 40 DIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCCCC2)c1 69454441 RTVNYTKPMNUMLK-UHFFFAOYSA-N 323.824 4.096 0 40 DIAB CCOc1cccc([C@@H](C)NC(=O)C2(c3ccccc3)CCC2)c1 72276934 RCPODEZEJVOTDH-MRXNPFEDSA-N 323.436 4.384 0 40 DIAB Nc1cc(Br)c(O)c(-c2nc3ccccc3s2)c1 73634589 AWJGWBRLVQHLBG-UHFFFAOYSA-N 321.199 4.014 0 40 DIAB Nc1cccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1 85386115 PQSXINYUALDKGZ-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB Cc1nc(CSCc2ncc(-c3ccccc3Cl)o2)no1 89718443 VIEKCWCUNLOVLY-UHFFFAOYSA-N 321.789 4.120 0 40 DIAB CSc1cccc([C@@H](O)c2ccc(Br)cc2)c1 95730368 WBUBIHJDNMSTCO-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB c1ccc(N2CC[C@@H](CNc3ccc4ccccc4n3)C2)cc1 95951794 ABNFNNSWROMBOC-INIZCTEOSA-N 303.409 4.173 0 40 DIAB Cl/C=C(\Cl)CN1CCC(c2nc3ccccc3o2)CC1 98056199 TYZNKWOKCOPZLU-XFXZXTDPSA-N 311.212 4.326 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 104865988 MJXLAOKVNZRTNY-HSMVNMDESA-N 310.388 4.246 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 113959972 RUBCKWOJMOKQJD-VQIMIIECSA-N 323.436 4.265 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)cc1F 113971277 XXWXFJDEXCYTBB-QGZVFWFLSA-N 319.351 4.378 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225617535 NXZKJAKWNRZTNG-KDOFPFPSSA-N 307.434 4.398 0 40 DIAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](F)C1 576952201 VUSIUWVAFRLMCA-LLVKDONJSA-N 307.752 4.174 0 40 DIAB CC(C)Oc1ccnc(CSCCCC2CCOCC2)c1 593199851 QKUOVOIRLRDZCG-UHFFFAOYSA-N 309.475 4.309 0 40 DIAB Cc1ccccc1/C=C1\N=C(c2ccc(C(C)C)cc2)OC1=O 359535 DCJDLWCUWJEIMK-PDGQHHTCSA-N 305.377 4.463 0 40 DIAB CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O 1673264 SANSXRUQWMCNEX-UHFFFAOYSA-N 306.148 4.163 0 40 DIAB CC(=O)Nc1cc2c(cc1Cl)-c1cc(Cl)ccc1C2=O 1673268 ABOHKZXWKMJBQY-UHFFFAOYSA-N 306.148 4.163 0 40 DIAB CCCCC(CCCC)NC[C@@H](C)OC(=O)c1ccc(N)cc1 1995916 OIJITVKQXJLVLE-OAHLLOKOSA-N 320.477 4.153 0 40 DIAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 2446663 INRUVKZGFUXRCS-UHFFFAOYSA-N 315.829 4.428 0 40 DIAB O=C(CCC1OCCCO1)c1ccc(Oc2ccccc2)cc1 2518110 MXYMZXRKNVAAJC-UHFFFAOYSA-N 312.365 4.205 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)c3cc(C)on3)ccc21 3344728 IHLJGRKMODLXFG-UHFFFAOYSA-N 319.364 4.363 0 40 DIAB COc1cc(NC(=S)NC(C)(C)CC(C)(C)C)cc(OC)c1 3434739 AXWRLUVKDJIBAZ-UHFFFAOYSA-N 324.490 4.205 0 40 DIAB CCCC(=O)Nc1cccc(C(=O)N(CC)c2ccccc2C)c1 4738951 MWGPTMFGJIFYHZ-UHFFFAOYSA-N 324.424 4.400 0 40 DIAB Cn1c(CNC(=O)C2CCCCC2)cc2cc(Cl)ccc21 4973499 UBBVGKQQOFZHDV-UHFFFAOYSA-N 304.821 4.028 0 40 DIAB CC1CCN(c2ncnc3c2[nH]c2cccc(Cl)c23)CC1 5532734 AHMNQXHNANVBHG-UHFFFAOYSA-N 300.793 4.001 0 40 DIAB Cc1nc(-c2cccc(NC(=O)Cc3ccccc3)c2)oc1C 6200878 KLVZNHPSPYJILB-UHFFFAOYSA-N 306.365 4.140 0 40 DIAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1 6980165 MUQBXVCFEDRIAC-INIZCTEOSA-N 316.404 4.091 0 40 DIAB O=C(Nc1nccs1)c1ccc(-c2ccc(F)cc2)s1 7038856 UWZCKXYWSOSNNX-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C 7053173 RYFPVZNMVARRBA-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB CCOc1ccc(-c2nc3sc(CC(C)C)nn3c2C)cc1 7995004 MKHHQWANGIHSOL-UHFFFAOYSA-N 315.442 4.363 0 40 DIAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccco1 8725922 KELDSZBUFVFDPG-UHFFFAOYSA-N 310.378 4.219 0 40 DIAB Oc1cc(CSc2nc3ccccc3o2)nn1-c1ccccc1 10157328 AAAXZLPISGCBHZ-UHFFFAOYSA-N 323.377 4.011 0 40 DIAB C/C=C/c1ccc(OCc2cn3cccc(C)c3n2)c(OC)c1 12628756 BDBVIRYZFHASTC-GQCTYLIASA-N 308.381 4.263 0 40 DIAB CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(=O)O 13339634 UJSSSFNGQWZNEN-UHFFFAOYSA-N 306.402 4.340 0 40 DIAB biogenic,in-vitro CCOC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(C)cc2)c1 13649701 SUCBIXAEMFBIMR-ZRDIBKRKSA-N 323.392 4.132 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)cc1 14206448 ASTRRENSUGMRDM-UHFFFAOYSA-N 305.381 4.254 0 40 DIAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)cc1 15514555 MIAFCTKZHPGDEW-UHFFFAOYSA-N 301.386 4.045 0 40 DIAB Cc1cc2c(cc1C)[C@@H](c1ccc(Br)cc1)NCC2 19735370 MTYGNMQSSCQVBJ-QGZVFWFLSA-N 316.242 4.301 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1F 20112055 DEEXXPFQKBOCHI-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB CC(C)CC(=O)Nc1ccc(Nc2ncnc3ccccc23)cc1 25523515 MYKVXZNHKGIFMZ-UHFFFAOYSA-N 320.396 4.358 0 40 DIAB Cc1cnc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)s1 30036289 GWDLIHIDBDTNER-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB O[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 31719415 BVEXGQHOBZRFGZ-NJTYFVPYSA-N 307.437 4.478 0 40 DIAB O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1ccncc1 41397851 DXPFQCHQGKQBSY-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCC[C@H](C)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 42512705 USOWDNMWLPOCSG-NWDGAFQWSA-N 322.499 4.347 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 43158363 QAHVBDFULGMSPH-GHMZBOCLSA-N 300.324 4.406 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1 44950124 BKHAVMYUHCLYMN-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Cc1cc(C)c(NC(=O)Cc2ccc3ccccc3c2)c(C)n1 48341918 OFQVVVVWZYIKGS-UHFFFAOYSA-N 304.393 4.341 0 40 DIAB CCCCNC(=O)C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 60468310 GPTHKQKXGFHOMJ-AWEZNQCLSA-N 322.880 4.029 0 40 DIAB CCOc1ccc(NCc2cc(Cl)c(OC)c(OC)c2)cc1 66067848 GKDSYENADCVPBY-UHFFFAOYSA-N 321.804 4.368 0 40 DIAB O=S(=O)(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 78758944 GYQSWSODTNAXTL-UHFFFAOYSA-N 315.221 4.108 0 40 DIAB COc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)cc1 95094962 GVTWBDITESLTTA-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccon1 95460501 UCJBOJDQJIBCAF-CYBMUJFWSA-N 316.364 4.458 0 40 DIAB CSc1cccc([C@H](O)c2cccc(Br)c2)c1 95730287 SHLVZRRTBWUDAA-CQSZACIVSA-N 309.228 4.253 0 40 DIAB Cc1csc(C2=C(O)CN(c3ccc(F)c(Cl)c3)C2=N)n1 102933849 YSBMQNJCRONPPA-UHFFFAOYSA-N 323.780 4.011 0 40 DIAB C[C@@H]1CC(N[C@H](C)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 108372911 KDEZORRRYXAKHW-IJLUTSLNSA-N 317.351 4.192 0 40 DIAB COc1cccc(Cc2csc(NCc3ccccc3)n2)c1 211138820 WGRODCLGXYOGBB-UHFFFAOYSA-N 310.422 4.355 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222743596 RTXGXQUSPIJCOH-INIZCTEOSA-N 313.466 4.414 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C 223218248 XDSRJMGSSKPHTL-MRXNPFEDSA-N 305.393 4.169 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc2c(c1)CCCC2 224016635 UWMFKNUEQYZOGB-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB Cc1cc(OCC(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 224261263 ZFUCHZIFYCLFSR-UHFFFAOYSA-N 311.853 4.358 0 40 DIAB Cc1cccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1C 225364156 OWRHUUDHGPWHIA-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1 225748385 ASHLXJHLYRWZKK-GOSISDBHSA-N 307.434 4.399 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226356148 ZHJNLMMLUSWLAO-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2O)cc1 409411752 KXIVCDKOUVIKQD-UHFFFAOYSA-N 307.802 4.085 0 40 DIAB Brc1ccc([C@@H]2C[C@@H]2CN2CCCCCC2)cc1 575422434 FYRVMKCNYFMBEZ-ZBFHGGJFSA-N 308.263 4.429 0 40 DIAB Cc1cccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 240158 RJULKOAZXBIPRI-QGZVFWFLSA-N 311.454 4.314 0 40 DIAB biogenic CCN(CC)CCC[C@H](C)Nc1ncnc2cc(Cl)ccc12 1592006 UMLPLQQZFGHPNF-ZDUSSCGKSA-N 320.868 4.206 0 40 DIAB CCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 3147275 IVDDQJSSWCHMRB-JXAWBTAJSA-N 321.376 4.210 0 40 DIAB S=C(Nc1ccccc1)N1CCCN1c1ccc(Cl)cc1 3153821 GTBFRUNWYANFKR-UHFFFAOYSA-N 317.845 4.164 0 40 DIAB biogenic Cc1csc(SCc2c(C(=O)O)oc3ccccc23)n1 3491475 ZUIWWPHNRQACTL-UHFFFAOYSA-N 305.380 4.188 0 40 DIAB CCCCOC(=O)Nc1nnc(SCc2ccccc2)s1 4694997 APBUFHWJHKAOAR-UHFFFAOYSA-N 323.443 4.179 0 40 DIAB Cc1cc2n(n1)[C@H](c1ccc3cccnc3c1)Nc1ccccc1-2 4707161 WJYSJNZUQOKEGO-HXUWFJFHSA-N 312.376 4.379 0 40 DIAB O=c1sc2ccccc2n1CCCOc1cccc(Cl)c1 5015258 LJVYYDVTBCENCM-UHFFFAOYSA-N 319.813 4.186 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(F)cc1 7128535 AHOWASXFVRCOKC-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Sc2ncccn2)cc1 7982550 ZZZRHSLYBBTDKB-OLZOCXBDSA-N 315.442 4.109 0 40 DIAB Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)o1 9145947 OSLJDAGKQZHGPG-MRXNPFEDSA-N 310.378 4.094 0 40 DIAB CCCS[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccccc1 9553354 XWTULHYPJDKGEU-GOSISDBHSA-N 301.455 4.369 0 40 DIAB COc1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1 11866424 XXDJZCLYKJUOJP-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB biogenic Cc1cc2cc(CNc3ccccc3C)c(=O)[nH]c2cc1Cl 12493103 AFZICCPPWLTHPU-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCc1ccccc1 12598692 BWIVTTRGJMDRIZ-OAHLLOKOSA-N 314.404 4.161 0 40 DIAB c1csc(-c2cc3cccn(CCN4CCCCC4)c-3n2)c1 12669734 FVHYVWKVQKACNR-UHFFFAOYSA-N 311.454 4.202 0 40 DIAB CCOC(=O)c1cc(/C=C\c2ccc(Cl)cc2Cl)on1 17142255 ILGAKLJJVVLTHJ-XQRVVYSFSA-N 312.152 4.329 0 40 DIAB Cc1sc2ncnc(Sc3ncc4ccccn34)c2c1C 18901210 YDWAJZAKELFZEL-UHFFFAOYSA-N 312.423 4.107 0 40 DIAB CSc1ccc([C@H](C)NC(=O)c2cc(F)ccc2F)cc1 20029749 CQIWQRGCQUUDQF-JTQLQIEISA-N 307.365 4.178 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 28239683 IHMQCEYIFCMPAT-UHFFFAOYSA-N 324.380 4.344 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc2c3c(cccc13)CC2 28651950 FOKKVNJUDNEHHD-KSSFIOAISA-N 322.452 4.045 0 40 DIAB Cc1nc2ccc(Nc3nccc(C(F)(F)F)n3)cc2s1 29384242 OQESRAWOOHCQNU-UHFFFAOYSA-N 310.304 4.157 0 40 DIAB CCOc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 30853789 IAURNXPSXBWWHL-UHFFFAOYSA-N 319.401 4.096 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2ccc[nH]2)cc1 32842513 ROWJUUJJBPJZNQ-UHFFFAOYSA-N 308.337 4.068 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)C1CCCCC1 38754308 HIGYIWVOCPACRU-OAHLLOKOSA-N 303.446 4.368 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCC1)NC1CCCCC1 57573720 JCLRUHUNHMDHSK-UHFFFAOYSA-N 321.852 4.394 0 40 DIAB CN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1 57891690 KDORDZXJXNBZNJ-UHFFFAOYSA-N 323.440 4.341 0 40 DIAB COc1ccc([C@H](C)N(C)CCO[C@@H]2CCCC[C@H]2C)cc1 58932666 QTNWFIKCEJOOLS-JTDSTZFVSA-N 305.462 4.283 0 40 DIAB C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 60015241 UZOMEJPNERMIJM-LLVKDONJSA-N 320.795 4.036 0 40 DIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1sccc1C1CC1 67143981 UHIGWHBCNSBKGR-MNOVXSKESA-N 317.376 4.476 0 40 DIAB CC(C)OCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1 71817381 WDNBSVPVAWPEMX-UHFFFAOYSA-N 324.424 4.134 0 40 DIAB Fc1ccccc1OCc1nnc(SCc2ccccc2)o1 75332006 VKDKPXOGDUXRQR-UHFFFAOYSA-N 316.357 4.080 0 40 DIAB CC(C)[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1)c1ccccc1 75568188 JAVPQCZOXMYSHP-OXJNMPFZSA-N 310.441 4.391 0 40 DIAB Cc1noc([C@H](C)NCc2cccc(Oc3ccccc3)c2)n1 84286499 OWXUDIOEDWIEMG-ZDUSSCGKSA-N 309.369 4.021 0 40 DIAB O=C1CCCC[C@H]2[C@@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951717 KRJQERWTNABLPQ-URVUXULASA-N 319.448 4.414 0 40 DIAB biogenic CC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 95962276 JGSYREFVTCIGOK-AWEZNQCLSA-N 305.328 4.292 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223369414 JEFOIMOOYLSTLZ-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB Cc1ccc(Cl)cc1C[C@@H](Sc1ccccc1)C(=O)O 225078155 KIULRCNDHVNVJS-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225612963 AXCGQIVVSAJDPU-KDOFPFPSSA-N 307.434 4.316 0 40 DIAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccco1 226096902 ZLOKGVOSYKTCMB-UHFFFAOYSA-N 322.202 4.419 0 40 DIAB O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)C(F)(F)F 226270916 ZVPURBSGMPTIKU-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB CCc1cccc(C)c1NC(=S)NCCCc1ccccc1 243780387 QEWSNNBWSCNYEG-UHFFFAOYSA-N 312.482 4.477 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1ccccc1 253473731 XULKSIZPQGHCGO-RUMSDORHSA-N 305.377 4.193 0 40 DIAB Cc1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 408702062 AROAWHJSDZVXQX-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1Cc1ccco1 70082 JEMDFWPKMWYJLD-GOSISDBHSA-N 322.339 4.185 0 40 DIAB CCc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1 427413 ULBLMCQSDJFVPM-VQIMIIECSA-N 308.381 4.019 0 40 DIAB CCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1622337 DSXJJVAVIOTERY-VOTSOKGWSA-N 314.381 4.282 0 40 DIAB CCSc1cccc(C(=O)Nc2nc(C)c(C(C)=O)s2)c1 4585775 JGDPSQFVPWJUNY-UHFFFAOYSA-N 320.439 4.018 0 40 DIAB Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3ccccc3o2)c1O 4988502 MDTCMNPJZLTOCT-UHFFFAOYSA-N 324.380 4.493 0 40 DIAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1 5545819 XRFDSEVICVDMDY-OAHLLOKOSA-N 321.424 4.062 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(F)cc2Cl)cc1 5679585 ZACIMKYTFVBMTJ-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CC(C)c1ccc(-c2nc(CSc3ncn[nH]3)cs2)cc1 5737471 IAGCBQLHFFQRNS-UHFFFAOYSA-N 316.455 4.344 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 7294555 LOAHFPYANGWCKV-LLVKDONJSA-N 321.829 4.468 0 40 DIAB CN(C)C(=O)[C@@H](Sc1ccc2ccccc2n1)c1ccccc1 7920778 HRZKMIYMNXMETC-SFHVURJKSA-N 322.433 4.156 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]2CCCC[C@H]21 8345361 HLBRRMINASZWTQ-IXVOVUJJSA-N 310.397 4.022 0 40 DIAB CC(C)c1ccccc1NC(=S)NC(=O)c1cccc(F)c1 9064033 LMIGBIGSTIEOJT-UHFFFAOYSA-N 316.401 4.076 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C)c(F)c1)C2 11428815 PVLBMOJGZZHROG-MRXNPFEDSA-N 301.386 4.098 0 40 DIAB Cc1cccc(C)c1NCc1cc2c(C)ccc(C)c2[nH]c1=O 12493078 VROANQUDJPGTAB-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB Cc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 12493111 OCGWDTNIKNBGQF-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB COc1ccccc1[C@H](C)NCC(=O)c1c(C)[nH]c2ccccc12 14241369 JMCAYKHMGNWNNA-ZDUSSCGKSA-N 322.408 4.018 0 40 DIAB Cc1nnnn1-c1ccc(Oc2ccccc2Cl)c(Cl)c1 15084489 CPJKXKVLKIHSBQ-UHFFFAOYSA-N 321.167 4.070 0 40 DIAB COc1ccc(Br)c(C(=O)Nc2cccc(C)c2)c1 16503915 GDRQTYNGEJAPPW-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(F)c(F)c2)cc1C 22538122 BFYCHRBRTZVSPO-ZDUSSCGKSA-N 303.352 4.381 0 40 DIAB Clc1cccnc1SCc1nc(-c2ccccc2)no1 22989167 XMYPOKGIDAIBLZ-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 30860984 RSWJPDRFFVQHFD-JKSUJKDBSA-N 311.425 4.455 0 40 DIAB Cc1sc(NCC(F)(F)F)nc1-c1ccc(F)cc1F 40152953 ZZTLWSNHDRYXLG-UHFFFAOYSA-N 308.275 4.371 0 40 DIAB COc1ccccc1OCCCn1c(C)nc2cc(C)c(C)cc21 41146173 HJSDLCLZYGYFSE-UHFFFAOYSA-N 324.424 4.439 0 40 DIAB C[C@@H](NCc1cccc(O)c1)c1ccc(Br)cc1 42209367 KFTLUFXUKQBZQD-LLVKDONJSA-N 306.203 4.006 0 40 DIAB CC1CCC(C)(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 58210337 BURRLIXUSUMGSW-UHFFFAOYSA-N 313.363 4.333 0 40 DIAB CCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(C)C)C1 59392615 URNPBSJACSJABQ-KRWDZBQOSA-N 322.836 4.077 0 40 DIAB Cn1cc(Br)c(-c2ccc(Cl)cc2Cl)n1 71605737 PVSGDEHAUPXEFA-UHFFFAOYSA-N 305.990 4.156 0 40 DIAB CC[C@H](Sc1nncn1CC(F)(F)F)c1ccc(F)cc1 71915120 NSLQTUDGAWASNN-NSHDSACASA-N 319.327 4.223 0 40 DIAB C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(Cl)cc1 80345938 UHNMVJXEFCRWMV-NSHDSACASA-N 324.207 4.191 0 40 DIAB CCn1nc(C)c(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1C 89473149 XHGJWSNCSIHNOI-CQSZACIVSA-N 314.433 4.053 0 40 DIAB C[C@@H]1CC(C(=O)NC(C2CCCC2)C2CCCC2)C[C@@H](C)O1 94156119 HGBNLGFRBMUKIP-ZIAGYGMSSA-N 307.478 4.055 0 40 DIAB CSc1ccc(CN(C)C(=O)C(C)(C)c2cccs2)cc1 95959811 AJBRJKMMKWSRQK-UHFFFAOYSA-N 319.495 4.406 0 40 DIAB COc1ccc(CCCCC(=O)C(F)(F)C(F)(F)F)cc1 96915448 CICDFDPOGZQTQB-UHFFFAOYSA-N 310.262 4.175 0 40 DIAB Cc1nnc(-c2cccc(N[C@@H](C)CSC(C)(C)C)c2)o1 97045999 WEZSRNJYXHIUAC-NSHDSACASA-N 305.447 4.377 0 40 DIAB FC(F)(F)c1nc2n(n1)C1(CCCCC1)C1=C(CCCC1)N2 101353542 YHQSXDZFTIGFHQ-UHFFFAOYSA-N 312.339 4.210 0 40 DIAB CC(=O)Nc1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 103003258 YFHCAHJTQSGBQD-JDPPGYRCSA-N 303.833 4.474 0 40 DIAB Cc1nccc(C(=O)N(c2ccc(Cl)c(Cl)c2)C(C)C)n1 194770093 MWHPRGJFGWWVMB-UHFFFAOYSA-N 324.211 4.147 0 40 DIAB COc1ccc2ccccc2c1CCC(=O)N1[C@H]2C=CC[C@H]1CC2 208019567 RAWZFNVMVHLHER-IRXDYDNUSA-N 321.420 4.101 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12 222858280 TVXFTDDYNIPPIL-AWEZNQCLSA-N 323.367 4.063 0 40 DIAB Cc1ccc(CC(=O)NCc2cccc3ccccc23)c(C)c1 222894097 UVMQRXCXQXMQMJ-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 223000203 VFCZELFNLJHSAG-OAHLLOKOSA-N 323.436 4.373 0 40 DIAB CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)cc1 225414598 XLNOINTYLGHMND-KRWDZBQOSA-N 317.816 4.159 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1 225547640 HQHUDQIUBORAIP-UHFFFAOYSA-N 324.371 4.023 0 40 DIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859339 CGTDFPFYTZKMOI-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB O=C(/C=C/c1ccccc1)NCCCc1cc2ccccc2o1 390832131 XNEBVTLGFJFMJZ-OUKQBFOZSA-N 305.377 4.195 0 40 DIAB COc1ccc2cc(C(=O)C(Cl)(Cl)Cl)ccc2c1 575358632 XERIDSZQCBUILX-UHFFFAOYSA-N 303.572 4.401 0 40 DIAB CCSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 422653 VAKWMHRUHBPDGY-UHFFFAOYSA-N 309.438 4.279 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1 510749 YXOIWZKUXNOJDM-UHFFFAOYSA-N 323.436 4.342 0 40 DIAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 559731 HOFBPZFDRFGROV-UHFFFAOYSA-N 324.424 4.184 0 40 DIAB CN1[C@H](c2ccccc2)[C@H]2CCC[C@@H](C2O)[C@H]1c1ccccc1 2299515 VOVYUVZGDORCCG-UAFMIMERSA-N 307.437 4.192 0 40 DIAB COc1ccc(C(=O)COc2ccc3ccccc3c2)cc1OC 2632591 IZGQLHRSZUNBGW-UHFFFAOYSA-N 322.360 4.119 0 40 DIAB Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1 3317325 ACJBGFNEOYPDET-UHFFFAOYSA-N 323.348 4.441 0 40 DIAB CCCOc1ccccc1NC(=O)Cc1ccc(Cl)cc1 3342211 TUCCQWCVPWEHPT-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB CCCC(=O)N(CC(C)C)c1nnc(-c2cccc(F)c2)s1 4982574 BTRIWWAOBAQLIO-UHFFFAOYSA-N 321.421 4.133 0 40 DIAB Cc1cc(Oc2ccc3oc4ccccc4c3c2)n2ncnc2n1 7653644 DSOKPYKMJNZKBY-UHFFFAOYSA-N 316.320 4.124 0 40 DIAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c(O)c1 8242061 LZKFXOUVZXSBSD-UHFFFAOYSA-N 301.729 4.353 0 40 DIAB O=C(O)c1ccc(CNc2ccc(OCc3ccccc3)cc2)o1 8702213 FSDRDFBQWCTOOU-UHFFFAOYSA-N 323.348 4.169 0 40 DIAB Cc1c(Cl)cccc1Nc1nc(-c2ccccc2)cc(=O)[nH]1 8844072 PFOCDZPWGHKZJN-UHFFFAOYSA-N 311.772 4.142 0 40 DIAB Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 11691547 VJVSMLYKALUJFA-UHFFFAOYSA-N 313.356 4.047 0 40 DIAB Cc1ccc2cc(CNc3cccc(Cl)c3C)c(=O)[nH]c2c1 12492400 PXKBXDNUYROUSB-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)cc1 12780956 WRBMYFRBGGAKOQ-CECLQJIQSA-N 307.393 4.072 0 40 DIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 15682720 AKESYAHWXBFLFL-LLVKDONJSA-N 323.820 4.276 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C 22002604 VFCCQWKQJNUPCX-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB COCc1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 25335441 SLGPFGBMEPVBTG-UHFFFAOYSA-N 323.314 4.033 0 40 DIAB Cc1ccsc1C(=O)N[C@@H](C)c1cccc(Br)c1 30468154 RWZWCGPOXUXXJF-JTQLQIEISA-N 324.243 4.310 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCc2ccccc2C1 36385104 IJFDLVIKCALMSY-OAHLLOKOSA-N 318.420 4.106 0 40 DIAB CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1Cl 40162155 LMDHBYDYBYGWEQ-UHFFFAOYSA-N 300.210 4.327 0 40 DIAB O=C(CN(C1=NCCCCC1)C1CCCCC1)c1ccccc1 41104945 FMEGAANJPUCSOA-UHFFFAOYSA-N 312.457 4.477 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1Cl 44845574 GYOBZERUBUGXCP-CYBMUJFWSA-N 302.805 4.483 0 40 DIAB CCOc1ccc2c(c1)cc(C(=O)Nc1ccc(C)cc1)n2C 49728941 IGYAZSUHHINVHO-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB Cc1ccc2sc(/C=C/c3cnc4c(c3)c(C)nn4C)nc2c1 58154134 BVARGEIWYBHVSD-FNORWQNLSA-N 320.421 4.365 0 40 DIAB CC1(C)C=CN(c2ccc(Oc3ccccc3)cc2)C(=S)N1 59124558 KAMMGVVPXXODSI-UHFFFAOYSA-N 310.422 4.466 0 40 DIAB Fc1cccc(CSc2nnc(Cc3cccs3)o2)c1F 66261615 DAYWHEDYEZKHTJ-UHFFFAOYSA-N 324.377 4.292 0 40 DIAB Cc1ccccc1NC(=O)Nc1ccc(-c2csnn2)cc1 71904963 HXEVZRTXHFYQFP-UHFFFAOYSA-N 310.382 4.158 0 40 DIAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1 76555547 QSQVQKMQRPAPAT-IBGZPJMESA-N 324.424 4.339 0 40 DIAB O=C(CCCc1ccccn1)N(C1CC1)[C@H]1CCc2ccccc21 84581862 RSCQHSVQNPUVIB-FQEVSTJZSA-N 320.436 4.083 0 40 DIAB O=C(c1cc(C2CC2)on1)N1CCCC[C@@H]1CCc1ccccc1 89879376 XRVXCTKRKWLUCM-QGZVFWFLSA-N 324.424 4.180 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2nc1C 100226332 QLTRCKARDKMNRT-KFWWJZLASA-N 309.413 4.011 0 40 DIAB O=C1c2ccccc2[C@H]2C3=C(O)CCCC3=Nc3ccccc3N12 102710465 NLTDDVRALMUCGE-IBGZPJMESA-N 316.360 4.470 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)cc1 113954008 YXLYXTWBRXUKJA-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB Cc1cc(Cl)cnc1NC(=S)N[C@H](C)c1ccccc1 223956459 VEZCTCIKSLZJBI-LLVKDONJSA-N 305.834 4.091 0 40 DIAB COc1ccc(CC[C@@H](C)Nc2n[nH]c3nc(C)cc(C)c23)cc1 257283278 OXQFRJPHLPDFRM-CYBMUJFWSA-N 324.428 4.017 0 40 DIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1 408783338 NQYLIXSZEUAFIO-GTVARFKMSA-N 324.449 4.157 0 40 DIAB COc1ccccc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409109668 IZFGDHMXUHKVMR-ATVHPVEESA-N 307.393 4.238 0 40 DIAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccco1 162507 UGUFOORZJBCFDD-PMACEKPBSA-N 320.344 4.181 0 40 DIAB CN(C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 413132 TZZNYOTTZGUCPD-UHFFFAOYSA-N 312.369 4.226 0 40 DIAB COc1ccc(NC(=S)Nc2cc(C)ccc2C)c(OC)c1 1410839 QZXOEWRJKOWKJZ-UHFFFAOYSA-N 316.426 4.130 0 40 DIAB C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H](C)C1(C)O 4555394 XDCSRNLDRQBFAD-QVTBYWDJSA-N 309.453 4.438 0 40 DIAB CC[C@H]1CCCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 4681924 CNFUMFHSMAYSHB-AWEZNQCLSA-N 309.837 4.289 0 40 DIAB Cc1sc2nc3n(c(=O)c2c1C)Cc1ccc2ccccc2c1-3 5244947 DKKWPHYOPNCXGZ-UHFFFAOYSA-N 318.401 4.257 0 40 DIAB CC(C)c1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 6786292 FJHLQQYZQSQZNZ-UHFFFAOYSA-N 312.804 4.165 0 40 DIAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(CC)cc2)cc1 7223039 SHMFXFVGONWXMU-CQSZACIVSA-N 312.413 4.087 0 40 DIAB O=C(CCSCc1ccccc1)NCc1ccccc1Cl 7685635 LLJGGSNEKHYNKK-UHFFFAOYSA-N 319.857 4.280 0 40 DIAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 7944235 XBYZNUKLLJLSKB-UHFFFAOYSA-N 313.445 4.036 0 40 DIAB CCOc1c(CNC2C3CC4CC(C3)CC2C4)cccc1OC 8253456 ILLRWLXPFRQGMP-UHFFFAOYSA-N 315.457 4.008 0 40 DIAB Nc1cc(Cl)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 12395452 ZJTRXUYWGCRDFH-UHFFFAOYSA-N 315.726 4.006 0 40 DIAB Cc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12622047 JGYDTFSIDKMDFD-HNNXBMFYSA-N 301.386 4.101 0 40 DIAB O=C(/C=C/c1cccs1)NCCCSc1ccccc1 14996761 WEBNPJPHFFLMBO-MDZDMXLPSA-N 303.452 4.060 0 40 DIAB O=C(Nc1cccc2ccccc12)OCc1ccc2c(c1)OCO2 16545019 NYFLPLIEUJKTQL-UHFFFAOYSA-N 321.332 4.317 0 40 DIAB Cc1nc(C)c(-c2nnc(SCCc3ccccc3)o2)s1 40051700 YAWXZEDOGOIAKA-UHFFFAOYSA-N 317.439 4.145 0 40 DIAB Cc1cc(Br)ccc1NC(=O)N1CCC[C@H](C)C1 40103644 SFCUTSJQGSWLSV-JTQLQIEISA-N 311.223 4.021 0 40 DIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)c1 43143386 TUWDWMSVJNBRAN-LBPRGKRZSA-N 304.340 4.464 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cccc1 49030938 PSCVOHBPTQFEKY-LJQANCHMSA-N 304.393 4.279 0 40 DIAB O=C(Nc1cccc(F)c1)c1cc(-c2cccc(Cl)c2)no1 66089055 IAFWNMPXLISIPU-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1O 67341070 DZRMWFFTZBDDFD-UHFFFAOYSA-N 302.373 4.386 0 40 DIAB O=C([C@@H]1CC=CCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840035 PFIIVDSDPDBZEN-MRXNPFEDSA-N 308.425 4.230 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)NC(C)(C)CC(C)(C)C 78757426 BHUMTBXNMZXBKA-UHFFFAOYSA-N 308.470 4.417 0 40 DIAB Cc1nc2ccc(NCc3cnc(-c4ccccn4)s3)cc2o1 89729882 MGDSBBDZVVUPDM-UHFFFAOYSA-N 322.393 4.267 0 40 DIAB Cc1cnc(CNc2ccc(Cl)cc2OCC(F)(F)F)o1 96476035 MKJSFWHSCFSEDJ-UHFFFAOYSA-N 320.698 4.190 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 100604108 IGMNBLIBHADVHT-BYNQJWBRSA-N 322.246 4.004 0 40 DIAB COc1ccc(CCN[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1OC 104188878 NFFKFPDZEUOKMC-CVAIRZPRSA-N 317.473 4.051 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1ccccc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 104194593 KPJXVODWPNPRQB-PDWCTOEPSA-N 315.463 4.089 0 40 DIAB aggregator CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 129114234 IBNRFAZVNYYDCW-CHWSQXEVSA-N 314.351 4.202 0 40 DIAB COc1ccc(-c2cn3cc(Br)c(C)cc3n2)cc1 136547362 IPKPJKACVNGISL-UHFFFAOYSA-N 317.186 4.081 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)cc1C 219508707 LHSMPSCUVWAHPU-INIZCTEOSA-N 309.409 4.050 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12 222858220 TVXFTDDYNIPPIL-CQSZACIVSA-N 323.367 4.063 0 40 DIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865112 AQFCZUKHIBHLAC-UHFFFAOYSA-N 324.424 4.321 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2ccc(F)cc2)c1C 411488 QEJHBXKYOZNQIA-UHFFFAOYSA-N 308.356 4.497 0 40 DIAB COC(=O)c1c(-n2c(C)ccc2C)sc2c1CC[C@H](C)C2 1098286 QRDOWVSXUPFUQM-JTQLQIEISA-N 303.427 4.067 0 40 DIAB COc1ccc(OC)c2c3c(ccc12)[C@H](c1ccccc1)OC3=O 1618271 VDDXJAQZAMOPLW-IBGZPJMESA-N 320.344 4.117 0 40 DIAB O=S(=O)([C@@H](c1ccccc1)C1CCCCC1)N1CCCCC1 1717690 KJDQONAHVBFISM-SFHVURJKSA-N 321.486 4.124 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1cc(C)ccc1C 2517533 LQAZVGKZSLSNTQ-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB CCCCCn1c([C@@H](C)NC(=O)CCC)nc2ccccc21 2601755 RQFWZPXEUTYUFZ-CQSZACIVSA-N 301.434 4.204 0 40 DIAB Cc1cc(F)ccc1NC(=O)COc1ccc2ccccc2c1 3559046 QLNGNFWWFILOMC-UHFFFAOYSA-N 309.340 4.305 0 40 DIAB Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1 4061477 VMXHBEWNZAZNRE-UHFFFAOYSA-N 306.409 4.034 0 40 DIAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3)cs2)cc1 4570723 SWNUCTBZCDWIIA-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB Cc1ccc(NC(=O)COc2cccc3ccc(C)nc23)c(C)c1 5468636 VJNFZLFTWCJAFJ-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB Cc1cc2c(cc1Br)C(=O)C[C@H](c1ccccc1)O2 5541670 UKSQZZJOPLMZMZ-OAHLLOKOSA-N 317.182 4.464 0 40 DIAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 6340757 IJBBUYGSYFGTIV-UHFFFAOYSA-N 315.800 4.409 0 40 DIAB C[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1Cl 6566374 XGHOGRQGQKPKTK-GWCFXTLKSA-N 315.244 4.100 0 40 DIAB Cc1c(Cl)cccc1NC(=O)COC(=O)CC1CCCCC1 6932820 UVIGZICTIXUHCR-UHFFFAOYSA-N 323.820 4.101 0 40 DIAB Cc1cccc(N(CC(=O)c2cccs2)C2=NCCCC2)c1 8414613 SVVHOUCFNSGORG-UHFFFAOYSA-N 312.438 4.328 0 40 DIAB O=C(CCc1cccc(F)c1)N[C@H]1CCSc2ccccc21 8769877 DPQDYCNRXLUKPE-INIZCTEOSA-N 315.413 4.112 0 40 DIAB Cc1ccc(C)c(NCc2cc3cc(C)c(C)cc3[nH]c2=O)c1 12493388 BDNNTXWOZOINRD-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 12924981 ZGENVUXWLWLEMY-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 13709600 BGAPAGWBDXHKRT-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB COc1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 16029624 ZGBMFJXLOLLXCW-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB CC(=O)c1c(C)c(C)c(O)n(C/C=C(\C)CCC=C(C)C)c1=O 17022714 WHWWVBKYMLKDGN-JLHYYAGUSA-N 317.429 4.066 0 40 DIAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(N)c1 19736681 JRLCGGRSASPQAP-KGLIPLIRSA-N 312.413 4.188 0 40 DIAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCC(=O)O)c2c1 19793145 GVPLTMDTRAZFIC-HEHNFIMWSA-N 321.376 4.174 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSC(C)(C)C 20457122 MUEFIXQWHUGAPJ-HNNXBMFYSA-N 323.502 4.109 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1F 21587309 BUDOOOBVDUCTCR-MRXNPFEDSA-N 303.764 4.287 0 40 DIAB O=C(NC(C1CC1)C1CC1)c1ccc(Oc2ccccc2)cc1 25155141 UUWBQORGGQEJLM-UHFFFAOYSA-N 307.393 4.397 0 40 DIAB C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc2ccccc12 32986386 HWBLXBDDIABIPT-IINYFYTJSA-N 308.208 4.211 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@@H](c2ccccc2)C1 36354375 HEOVVNUFZDWHIM-CYBMUJFWSA-N 307.328 4.135 0 40 DIAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1ccco1 69660849 VLUZNFGHDNMQBW-OAHLLOKOSA-N 306.365 4.078 0 40 DIAB Cc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)c(C)c1 73639386 UKEWYHMNVWQKIP-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB CC(C)CCC(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 75106104 ZOYUHJSEYYZYCP-NSHDSACASA-N 321.808 4.003 0 40 DIAB C[C@H](N[C@H](C)c1cc2cc(Cl)ccc2o1)c1cnccn1 90034784 ICAQPQIFCILBNM-WDEREUQCSA-N 301.777 4.288 0 40 DIAB Cc1ccc(OC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)cc1C 95350022 SNTFNOGSIFJDEK-KDOFPFPSSA-N 323.392 4.117 0 40 DIAB N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccnc2O)c1 143162280 HWTORHRJFMRBLG-UHFFFAOYSA-N 314.650 4.123 0 40 DIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(C(C)C)cc1 216950299 MZOMMAQKBPGHMP-UHFFFAOYSA-N 321.376 4.460 0 40 DIAB COc1ccc(NC(=O)Cc2ccc(C)cc2C)cc1Cl 225633012 HCDQREAWUGFKFW-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1C 225731583 OBGXIQPWLXMXLJ-SFHVURJKSA-N 307.434 4.318 0 40 DIAB Cc1ccc(CN2CC=C(c3nc4ccccc4o3)CC2)cc1 226251136 FGCOLLOUEVFJAO-UHFFFAOYSA-N 304.393 4.426 0 40 DIAB CCCCCC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226352177 JTPVCODCUZUJLA-UHFFFAOYSA-N 301.342 4.164 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)/C=C/c1cccs1 240068096 SIBHMUCVVOGQJC-ZDUSSCGKSA-N 311.406 4.255 0 40 DIAB C[S@](=O)Cc1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 249196231 QTCHAFKQVPYPKF-YOEYROIRSA-N 319.392 4.098 0 40 DIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1 408527727 HGGAEUYWDOFRDL-UHFFFAOYSA-N 310.740 4.016 0 40 DIAB Cc1nc(CNCC(C)(C)c2ccc3ccccc3c2)[nH]c1C 623784705 GIZZXBSZSQXBMW-UHFFFAOYSA-N 307.441 4.247 0 40 DIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(Cl)cc1 70761 QSZPGCWECBZWJH-NTEUORMPSA-N 318.159 4.338 0 40 DIAB COc1ccccc1S[C@@H](CCN(C)C)c1ccccc1 346570 HBUABFKAIXAYRY-KRWDZBQOSA-N 301.455 4.480 0 40 DIAB CCC(=O)c1cn(CCOc2ccc(OC)cc2)c2ccccc12 560722 IEKPZJOKKTWDAI-UHFFFAOYSA-N 323.392 4.322 0 40 DIAB CCOc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 569681 XIRJJLITYJUJTR-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c(C)c1 570478 QVHXTXKOQSHCPL-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB CCCC(CCC)C(=O)NCCc1c[nH]c2ccc(C)cc12 2202697 GPASTFKKYJALFN-UHFFFAOYSA-N 300.446 4.351 0 40 DIAB Cc1nc2ccccc2nc1CSc1nc2ccccc2o1 3324660 FZXXPQJVQKVMLM-UHFFFAOYSA-N 307.378 4.372 0 40 DIAB Cc1csc(NC(=O)c2sccc2-c2ccccc2)n1 3357059 FVHLDKWPMDPAKH-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1 4859041 DZSAUXZAUXWHKS-UHFFFAOYSA-N 319.364 4.098 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5029799 CGAUTMWHFOZKBU-NHQGGFKJSA-N 306.490 4.141 0 40 DIAB CCCCN1C(=O)S/C(=C/c2cn(C)c3ccccc23)C1=O 5520170 VGNUDUVBQWAGBN-XNTDXEJSSA-N 314.410 4.015 0 40 DIAB CC[C@@H](C)NC(=S)N(Cc1ccccc1)Cc1ccccc1 5875294 RFTKPLOIEIQSFG-MRXNPFEDSA-N 312.482 4.362 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6487530 IBMZAHKIAAJREF-YZXCLFAISA-N 318.501 4.307 0 40 DIAB biogenic,in-vitro Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)c1 6811378 DIAYRRPULJHFTC-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB CC/C=C/C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 7576210 GJYOYBGAHIRNFP-VOTSOKGWSA-N 314.381 4.234 0 40 DIAB Cc1occc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 7986805 VAYNBZMVNPPRAX-UHFFFAOYSA-N 306.317 4.038 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)N[C@@H]1CCCc2ccccc21 8077863 TZDFVFGFDHDMDS-XSSIKURBSA-N 321.420 4.211 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)s1)NC1CCCCCC1 8156903 PKLPZKFZKBDCTE-UHFFFAOYSA-N 313.850 4.203 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1Cl 10221368 XQTKMDIUUCIWRP-UHFFFAOYSA-N 317.791 4.331 0 40 DIAB Cc1noc(C)c1C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 10856891 WECIYPARGPBWGZ-OAHLLOKOSA-N 306.793 4.072 0 40 DIAB COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1 12361886 DSWXGHONYJOBMW-UHFFFAOYSA-N 304.393 4.022 0 40 DIAB Cc1cccc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1 12527319 JUTIXKZEKPQMNH-UHFFFAOYSA-N 312.316 4.254 0 40 DIAB c1ccc(-c2nc(NCc3ccncc3)c3ccccc3n2)cc1 12631463 PJZIQCMPDKJSKB-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)o1 13012044 IQDDQKPDJLRBCF-UHFFFAOYSA-N 310.787 4.370 0 40 DIAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1 13127403 HNBSTAVYEBXTIE-UHFFFAOYSA-N 324.380 4.165 0 40 DIAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C1 13644533 WJRUYSMPAWJXJF-PHIMTYICSA-N 314.820 4.247 0 40 DIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 14255409 LTWZHRLARXHIKE-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1 15626130 VGUGJMAGYPIOSF-STUBTGCMSA-N 310.180 4.477 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1cccc(C)c1 16349288 FZERRTJPPNONNN-UHFFFAOYSA-N 313.441 4.328 0 40 DIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@@H]3CCCC[C@H]32)cc1 19557616 YGWJEVISINCSQM-CGXNFDGLSA-N 322.452 4.152 0 40 DIAB COc1cccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)c1 21579185 VHRBSUMMGNXCPL-UHFFFAOYSA-N 310.353 4.098 0 40 DIAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1ccco1 22769067 IMZWFAPXSZMWCN-UHFFFAOYSA-N 309.277 4.038 0 40 DIAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2)c(C)s1 28356215 IZTFLFJPXOQRNR-CHWSQXEVSA-N 302.443 4.486 0 40 DIAB CCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 28879862 GAWBFLRQEKKUCN-LBPRGKRZSA-N 318.367 4.356 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)C1(c2cccc(F)c2)CCC1 32906821 YVZVEFYMPJOTFU-UHFFFAOYSA-N 309.384 4.375 0 40 DIAB O=C(NCCc1cccs1)c1sccc1-c1ccccc1 32988760 VCWHCCVRTMMPNZ-UHFFFAOYSA-N 313.447 4.449 0 40 DIAB COc1ccc(OC)c(C(=O)c2ccc(Cl)c(Cl)c2)c1 37353845 FNPOYHZEPYZXGW-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1cccc(NC(=O)c2cc(C)n(-c3nccs3)c2C)c1 40090983 LINFLZNLZJOTBL-UHFFFAOYSA-N 311.410 4.111 0 40 DIAB CC(C)(C)n1cc(CN[C@@H]2CCSc3ccc(F)cc32)cn1 42929836 OBEIHGBJTAZTSK-OAHLLOKOSA-N 319.449 4.104 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)C1 43158360 QAHVBDFULGMSPH-MNOVXSKESA-N 300.324 4.406 0 40 DIAB Cc1noc(C2CCN([C@@H](C)c3ccc4ccccc4c3)CC2)n1 53618211 DOSLKGNONHLEGL-AWEZNQCLSA-N 321.424 4.472 0 40 DIAB COCCN(C(=O)/C=C/c1cccc2ccccc12)C1CCCC1 58157593 GZWQYJGGMZCAQL-BUHFOSPRSA-N 323.436 4.271 0 40 DIAB Cc1cc(Cl)ncc1[C@@H]1CCCN1C(=O)c1ccccc1 72217847 VHOVEBNBUCRYBV-HNNXBMFYSA-N 300.789 4.021 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1 78457827 UUIBFTKDQSHDCW-OAHLLOKOSA-N 311.425 4.068 0 40 DIAB CC(C)[C@@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 78909038 GHHCFQOMVAIPOD-GHMZBOCLSA-N 308.365 4.226 0 40 DIAB CC(C)Oc1cccc([C@@H](O)c2cccc(Br)c2)c1 89064958 GISSSONOXBLHNN-INIZCTEOSA-N 321.214 4.318 0 40 DIAB Cc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)cc1C 95350021 SNTFNOGSIFJDEK-RDTXWAMCSA-N 323.392 4.117 0 40 DIAB Cc1cnc(CNc2ccc(Oc3ccc(Cl)cn3)cc2)o1 95418386 QBRMRPCCGCCJTD-UHFFFAOYSA-N 315.760 4.436 0 40 DIAB CSc1ccccc1N(C)Cc1cc(-n2ccnc2)cs1 95940879 XMGZFTDHCBDDGH-UHFFFAOYSA-N 315.467 4.292 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1c(F)cc(F)cc1F 95964189 XDRBROUNSWLTBU-AWEZNQCLSA-N 323.314 4.208 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100333069 QAUXTLSTIJIAJC-FUTJPDQTSA-N 309.862 4.125 0 40 DIAB Clc1cccc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1 138477165 ZADVAUIHVHOOKN-UHFFFAOYSA-N 324.215 4.277 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc1C 224602582 SMQKHOSTUFRBAI-HNNXBMFYSA-N 305.462 4.402 0 40 DIAB CC(C)Oc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 225459476 SCOFKOXBCWOTBJ-UHFFFAOYSA-N 304.390 4.422 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cn1 225893822 QLFWOJUPOFXYTO-GOSISDBHSA-N 322.449 4.040 0 40 DIAB CC[C@H](C)Nc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 228927788 ZSVXVARTULLUBP-QMMMGPOBSA-N 312.204 4.132 0 40 DIAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cl)cc4)OCC[C@@]3(C2)[C@@H]1O 257219613 DHKWKKSWCDUIGJ-YGSJXBCNSA-N 306.833 4.215 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260622379 TVLSOEYTFFFQEQ-CZUORRHYSA-N 319.445 4.129 0 40 DIAB CC[C@H](C)N1C(=O)S/C(=C/C=C/c2ccc(OC)cc2)C1=O 409021192 YWDCAZJVDOGYTO-UDGQHYAZSA-N 317.410 4.086 0 40 DIAB O=C(Nc1ccc(NC[C@@H]2CC2(F)F)cc1)N1CCCCCC1 585140425 DPBCRWVOXFFKPY-ZDUSSCGKSA-N 323.387 4.162 0 40 DIAB O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@H]1C[C@@H]1F 1520658090 KQTBAQYWHXPIPI-HOTGVXAUSA-N 306.340 4.198 0 40 DIAB CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 150881 CFRJWHSNYXLDCI-UHFFFAOYSA-N 313.831 4.119 0 40 DIAB CCOC(=O)/C=C/c1ccc(OC)c(Oc2ccc(C)cc2)c1 164099 PSVOWHJBWQMDQO-XYOKQWHBSA-N 312.365 4.372 0 40 DIAB CCc1ccc([C@@H]2C[C@H](c3ccccc3F)n3ncnc3N2)cc1 222817 BQHRCBDCITXMDN-ZWKOTPCHSA-N 322.387 4.126 0 40 DIAB OCc1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1 1393321 KGOHMZKPZUFPCU-UHFFFAOYSA-N 309.312 4.474 0 40 DIAB Clc1ncn(CCOc2cccc3ccccc23)c1Cl 2437385 CJVMTHXBIJNMTK-UHFFFAOYSA-N 307.180 4.422 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(C(C)(C)C)cs2)cc1C 3326924 YANMTXZWVXPKGT-UHFFFAOYSA-N 302.443 4.239 0 40 DIAB Cc1ccc(CN[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 3347348 YJHJDBRUZNLUAB-INIZCTEOSA-N 318.420 4.265 0 40 DIAB CCc1cccc(CC)c1NC(=O)COc1cccc(C)c1C 3446192 NQICUUJAJAZZQC-UHFFFAOYSA-N 311.425 4.446 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCc1ccc(C)cc1 3577863 YOKXIBIAAGFEMO-UHFFFAOYSA-N 305.377 4.087 0 40 DIAB Cc1ccc(Cc2cnc(NC(=O)C(C)C)s2)cc1Cl 5000421 XJZXCTDTIAHHCN-UHFFFAOYSA-N 308.834 4.290 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)Nc1c[nH]c2ccccc12 5299988 SCWZNHJJLWSLIM-UHFFFAOYSA-N 317.295 4.413 0 40 DIAB CCn1c(SC/C=C/c2ccccc2)nc2ccccc2c1=O 6094125 CDISHHVSFQKTCG-DHZHZOJOSA-N 322.433 4.222 0 40 DIAB C[C@@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6930903 AXSURGHMUQGRLH-HZIIEKROSA-N 318.457 4.140 0 40 DIAB Cc1ccc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1 8007112 WYTSYPVIXDMZJF-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)cc1 8085501 ZWHWNYASKYWKFK-KRWDZBQOSA-N 314.454 4.441 0 40 DIAB c1ccc2sc([C@@H]3CCCCN3Cc3cscn3)nc2c1 8230161 XIWNUHQNTPHGGK-AWEZNQCLSA-N 315.467 4.480 0 40 DIAB COc1ccccc1NC(=O)c1cc(Cl)sc1Cl 9549342 LJGQPGVNVGWHBB-UHFFFAOYSA-N 302.182 4.316 0 40 DIAB CC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12749150 XUDCXIKIKQJSNN-GFCCVEGCSA-N 315.800 4.099 0 40 DIAB C[C@@H](NC(=O)c1cccc2cccnc12)c1ccc(F)c(F)c1 12901894 VAUQMTJHDBYEPK-LLVKDONJSA-N 312.319 4.004 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1cc(F)c(F)c(F)c1F 13003271 DUQZHRXZPUVNDC-UHFFFAOYSA-N 323.289 4.374 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 14790092 IWKSSGIPYAZBDW-RMKNXTFCSA-N 323.289 4.174 0 40 DIAB O=S(=O)(c1ccccc1)c1ssc(=S)c1Cl 15083194 QRORDTFRDVKHSX-UHFFFAOYSA-N 308.858 4.025 0 40 DIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2)on1 19120950 WZKKUPJYCSUBQU-KRWDZBQOSA-N 322.412 4.100 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccccc1 20492773 GSSOVTBMACMJDF-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)NCC1(c2ccccc2)CC1 22427138 BUVWLJDPJRZIPL-MRXNPFEDSA-N 308.425 4.087 0 40 DIAB CC1CCC(NC(=O)c2cc3ccccc3c(Cl)n2)CC1 24575034 SCOSANUJESCHEA-UHFFFAOYSA-N 302.805 4.197 0 40 DIAB O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccccc1F 32097187 DPFNLDUJRMYZCL-UHFFFAOYSA-N 302.736 4.073 0 40 DIAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)c1ccc(Cl)cc1 45821500 JPRJQNYCDFVFHR-QGZVFWFLSA-N 323.779 4.187 0 40 DIAB CCCc1nc(CSc2nnc(-c3ccco3)o2)cs1 48325943 KBYNYPATYUSYBA-UHFFFAOYSA-N 307.400 4.031 0 40 DIAB Cc1ccc(F)c(NC(=S)Nc2ccc3c(c2)CCC3)c1 53515547 OPKZZZVDBRDPDB-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB CCC[C@H]1[C@@H](C)CCCN1C(=O)c1oc2c(c1C)C(=O)CCC2 81180433 DKQXCMQWQJLDNT-JSGCOSHPSA-N 317.429 4.148 0 40 DIAB Cc1n[nH]c(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 84853125 JRFRPYVXFSNCSV-UHFFFAOYSA-N 320.805 4.022 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)c(C)c1 139047278 MKYZBUOJRJEABT-CQSZACIVSA-N 301.817 4.377 0 40 DIAB O=C(c1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 219100497 FOHMZKNNZOSRPV-CQSZACIVSA-N 321.442 4.208 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 224624248 YCTQPAMPXCKZDO-INIZCTEOSA-N 309.837 4.194 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C)cc2C)cc1 225773590 HHZURURXQVOSMR-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc12 226034567 SXRJEGGYVNBLCJ-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226352752 JBDULSRPUFOOLN-UHFFFAOYSA-N 315.369 4.472 0 40 DIAB O=C(O)c1ccccc1-c1ccc(CNc2ccc(F)cn2)cc1 257286482 PLTFXYUCXVTGAI-UHFFFAOYSA-N 322.339 4.198 0 40 DIAB CCc1cccc2c(C=O)cn(CCCOc3ccccc3)c12 409198910 MLRIVFUUNZWVGP-UHFFFAOYSA-N 307.393 4.485 0 40 DIAB O=C(NCC1(c2ccsc2)CC1)Nc1ccccc1Cl 1888930689 NYQJEJOSXKNEJF-UHFFFAOYSA-N 306.818 4.255 0 40 DIAB Cc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccco1 882224 JJWOCACOZNQDEN-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB O=C(Cc1ccccc1)N[C@H]1Cc2ccccc2-c2ccccc21 1721230 FQXDMEHPSSDWHD-NRFANRHFSA-N 313.400 4.310 0 40 DIAB COP(=O)(OC)O[C@H](C(=O)c1ccccc1)c1ccccc1 2044302 IWZCVLNJYYISAM-INIZCTEOSA-N 320.281 4.028 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1F 2639423 JNFZLPMSFYRCFU-UHFFFAOYSA-N 302.736 4.142 0 40 DIAB CSCCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 3534376 BQFBFIPWKMAJLU-UHFFFAOYSA-N 301.411 4.479 0 40 DIAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccc(Cl)cc1 3904954 GBAHPMMVENBPNR-MELADBBJSA-N 309.837 4.148 0 40 DIAB CCOC(=O)/C=C1\N[C@]2(C)CCCC[C@H]2c2c(C)ccc(C)c21 4580990 TYUKGNSLZLNRDL-LNVFWXGPSA-N 313.441 4.227 0 40 DIAB CCOc1cc(CNCc2ccco2)cc(Cl)c1OCC 5019482 JZZLZXNYHFQZRY-UHFFFAOYSA-N 309.793 4.020 0 40 DIAB O=C(NCc1cccs1)c1ccc(COc2ccccc2)cc1 6259347 JUNIPXRQLMBMIU-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCCCC1 6938510 SDFLBLKQMVKOIZ-UHFFFAOYSA-N 302.296 4.039 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)s1 7274285 FPRBCXXDORZRKK-UHFFFAOYSA-N 320.464 4.236 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 8166189 PHQHYLKRSCWAMJ-UHFFFAOYSA-N 319.719 4.486 0 40 DIAB C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)O 12346671 INUQHJLYRODAMT-ZDUSSCGKSA-N 324.405 4.105 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCC1)[C@@H]1CC=CCC1 12596367 OTTMXDFNIBYWCM-CYBMUJFWSA-N 304.821 4.235 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 12631398 BQMDLHXMSHJXHO-CYBMUJFWSA-N 319.426 4.010 0 40 DIAB O=C(CSc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1 12850815 HPDOQQCRFYVBRQ-SFHVURJKSA-N 315.413 4.185 0 40 DIAB CCCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687715 URVYJKXHOFUVIL-UHFFFAOYSA-N 317.816 4.449 0 40 DIAB Cc1ccc(-n2ncc3c(Nc4ccccc4)ncnc32)cc1C 17120472 CBUFTLWZRJESRC-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cccnc2)cc1 19557601 NMNHVLOJRAIBPU-TUFLPTIASA-N 322.452 4.152 0 40 DIAB CCOC(=O)c1cc(NC(=O)c2ccccc2C)ccc1Cl 20048914 FUMUYMKTKLMABS-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CC(C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258214 QTIZRLRFMSALMS-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB O=C(CCOc1ccccc1-c1ccccc1)Nc1cccnc1 24962873 GKEQCRWBYYBEAT-UHFFFAOYSA-N 318.376 4.156 0 40 DIAB CN(C(=O)c1cnn(-c2ccccc2)c1C1CC1)c1ccccc1 28265873 WNQDOVCDUMQULG-UHFFFAOYSA-N 317.392 4.026 0 40 DIAB C[C@H](Sc1ccc(F)c(F)c1)c1nc(-c2ccco2)no1 29740031 CUNIWANLPKYEML-QMMMGPOBSA-N 308.309 4.461 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 32610135 BTOQTNHIQIQEJS-LLVKDONJSA-N 323.314 4.205 0 40 DIAB c1cncc(-c2nnc(S[C@@H]3CCCc4ccccc43)o2)c1 32931595 DVUKWBQRKSBLJO-OAHLLOKOSA-N 309.394 4.301 0 40 DIAB C[C@H]1CCC[C@H](C)N1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 35828505 VAWPWBMZIDUEHE-IHRRRGAJSA-N 318.461 4.229 0 40 DIAB Cc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 38833258 MYIBXJLOBUAZST-KRWDZBQOSA-N 322.452 4.479 0 40 DIAB Brc1ccc2c(c1)c(-c1ccccc1)cc1nncn12 39551894 PLOSFIZJMQSETG-UHFFFAOYSA-N 324.181 4.312 0 40 DIAB O=C(c1cccc(F)c1)N1CCSc2ccc(Cl)cc21 40071171 JFOUEGPOYJSSNI-UHFFFAOYSA-N 307.777 4.232 0 40 DIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3Cl)cc2c1 40953963 FPUSGBFAZGKFJK-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1cc(C)no1 67784009 WLMHKJZFYKTSMM-UHFFFAOYSA-N 300.141 4.071 0 40 DIAB COc1cc(CSCc2cc(C)on2)ccc1OC(F)F 72230524 SNKGPNZJPKROKE-UHFFFAOYSA-N 315.341 4.026 0 40 DIAB C[C@@H](O)c1cccc(OCc2csc(C3CCCC3)n2)c1 72313881 WTRYDQKBEXKKRM-GFCCVEGCSA-N 303.427 4.433 0 40 DIAB Cc1cnc(CN2CC=C(c3c(C)[nH]c4ccccc34)CC2)o1 80915485 RWKWHAADJCCHGH-UHFFFAOYSA-N 307.397 4.062 0 40 DIAB Cc1cccc([C@H]2CCCCN2Cc2cnc3ncccn23)c1C 93684309 JJQALUKIRLHGEQ-LJQANCHMSA-N 320.440 4.073 0 40 DIAB Cc1ncccc1CNc1cc([C@@H]2C[C@@H]2C)nn1-c1ccccc1 95455327 MBTXWDXJFMIDEK-KBXCAEBGSA-N 318.424 4.311 0 40 DIAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633957 LKJMIKFHZQUYRJ-ROUUACIJSA-N 306.361 4.203 0 40 DIAB O=[S@@](Cc1coc(-c2ccc(F)cc2)n1)CC1CCCCC1 96403877 MDGWAJHLUKGEDK-QFIPXVFZSA-N 321.417 4.310 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100892261 ITYQLDHQWCRICG-QZTJIDSGSA-N 319.832 4.372 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCSc2ccccc21 107081241 JKWXYSKNWMKQTH-KKUMJFAQSA-N 301.455 4.342 0 40 DIAB COc1ccc(N(C)C(=O)c2ccc(Cl)cc2Cl)cc1 222945171 UACXNZQJXMTRCU-UHFFFAOYSA-N 310.180 4.279 0 40 DIAB CCOc1cccc(NC(=S)NCCC2=CCCCC2)c1 225355006 FBSSNEPUXADNAT-UHFFFAOYSA-N 304.459 4.262 0 40 DIAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1 643557505 WZHDETDFMDTJSD-SFHVURJKSA-N 310.441 4.195 0 40 DIAB O=c1oc2ccccc2cc1-c1ccc(Br)cc1 57970 WGHLTJMVFCIUON-UHFFFAOYSA-N 301.139 4.223 0 40 DIAB biogenic Cc1ccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 61460 ZEUWOEOSPTXNOS-GFCCVEGCSA-N 324.449 4.189 0 40 DIAB CCOc1cc(-c2ccc(OC)cc2)cc(=O)c2c(C)oc(C)c12 111953 MUJLVFSYBGSCQV-UHFFFAOYSA-N 324.376 4.484 0 40 DIAB biogenic Cc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 912356 FMXJDHDCPXNHAJ-UHFFFAOYSA-N 320.417 4.469 0 40 DIAB Cc1ccccc1C(=O)N1c2ccccc2OC[C@H]1C(C)(C)C 1392404 HZCUNBNUSSDQPN-SFHVURJKSA-N 309.409 4.449 0 40 DIAB CCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)c(C)c1 1584170 LJHDNTJWZIVKMN-CYBMUJFWSA-N 314.381 4.283 0 40 DIAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 4662712 BEUNGZJVPASQTK-GFCCVEGCSA-N 307.390 4.140 0 40 DIAB CCc1nc(Nc2ccccc2O)c2oc3ccccc3c2n1 5163844 UZXDOXGMQXVCOG-UHFFFAOYSA-N 305.337 4.388 0 40 DIAB CC[C@H](C)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 7969379 YITIZNZCPDTEMD-KXBFYZLASA-N 311.425 4.141 0 40 DIAB C[C@H](NC(=O)c1ccoc1)c1cc(F)c(Cl)cc1Cl 9256199 SLSAKFNAOSKIOT-ZETCQYMHSA-N 302.132 4.217 0 40 DIAB CSc1cccc(NC(=O)/C=C/c2cnc3ccccc3n2)c1 9314276 FSOPMFMMAYJGOI-MDZDMXLPSA-N 321.405 4.004 0 40 DIAB COc1ccc(C(=O)O)cc1NC/C=C/c1ccc(Cl)cc1 9423001 BGYPAGUUJSQQSF-NSCUHMNNSA-N 317.772 4.172 0 40 DIAB CC(C)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235593 RYOVYKQGYRHSKE-UHFFFAOYSA-N 322.861 4.312 0 40 DIAB COc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(C)nc2c1 10404077 GZFXAMQERZSCSB-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB O=C(O)Cc1csc(C2(c3ccc(Cl)cc3)CCCC2)n1 11883870 SZXDREZTSQXTMQ-UHFFFAOYSA-N 321.829 4.284 0 40 DIAB Cc1ccc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cscn2)cc1 12186100 CKEZNDRRHVXXEG-MQVJKMGUSA-N 312.438 4.002 0 40 DIAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)CC2CCCC2)c(C)c1 14228774 GIIKNWLAGGUYAC-OAHLLOKOSA-N 317.429 4.062 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(Cl)c1 16124961 RLKQKIRXJRLIGV-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB C[C@@H]1C=C2[C@H](CC[C@]3(C)[C@H](O)CC[C@H]23)[C@@]2(C)CCC(=O)C=C12 17287211 AIIKBXMSWCMKJB-LZQOJGAJSA-N 300.442 4.045 0 40 DIAB CCOc1ccc2nc(SCCN3CCCCC3)sc2c1 20096331 GZSUZYNTEMJBJS-UHFFFAOYSA-N 322.499 4.273 0 40 DIAB Cc1ccc2[nH]c(C(=O)O)cc(=Nc3ccc(Cl)cc3)c2c1 21657789 AVVLNNYJILXBGH-UHFFFAOYSA-N 312.756 4.060 0 40 DIAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1 22551844 FFYLBJYWPZLJNQ-CYBMUJFWSA-N 321.207 4.366 0 40 DIAB O=C(C[C@@H]1C=CCC1)Nc1nc(-c2ccc(F)cc2)cs1 23325091 ZNBZZWJIBHZMCX-LLVKDONJSA-N 302.374 4.244 0 40 DIAB COCc1ccccc1CNC(=O)c1ccc(C(C)(C)C)cc1 25303932 JUBUQGZAQRMWBL-UHFFFAOYSA-N 311.425 4.061 0 40 DIAB CCOc1ncccc1NC(=O)c1cc(Cl)ccc1Cl 27587265 LLQKMEAHEKWOMY-UHFFFAOYSA-N 311.168 4.039 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1C 28872059 YFGQRYMHDQTXGQ-INIZCTEOSA-N 300.446 4.111 0 40 DIAB Fc1cccc(C(=S)Nc2c(Cl)ccc3nsnc23)c1 30822881 KTHHTBYYFBCSNP-UHFFFAOYSA-N 323.805 4.271 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C)cc1 30861789 PFWZYOGWELJUIJ-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB O=C(c1cc2c(s1)CCCC2)N1CC[C@H]2CCCC[C@@H]2C1 32748038 JIACQZCFJQTGKL-UKRRQHHQSA-N 303.471 4.279 0 40 DIAB O=C(CSc1cccc2ccccc12)Nc1ccccc1O 33446923 WGJTVBWWOWKJBC-UHFFFAOYSA-N 309.390 4.276 0 40 DIAB Cc1cccc(C)c1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40526403 YXEOJMDZGSXEAH-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]1CCc1ccccc1 55487799 DGODBOKHKOYCBK-IBGZPJMESA-N 318.420 4.405 0 40 DIAB CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)C(C)C 58244673 JBGFAOLJIJCUMV-UHFFFAOYSA-N 310.441 4.478 0 40 DIAB C[C@H](NCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 58445817 TYLDLDCHYPRFBR-NSHDSACASA-N 323.223 4.283 0 40 DIAB Cc1nc(-c2ccccc2)n(Cc2ccc(F)cc2Cl)n1 60374539 SJJVXCQHODBTQY-UHFFFAOYSA-N 301.752 4.094 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3cccn3C)cc2)cc1 68727971 ZZGHHPCIAZPJBK-UHFFFAOYSA-N 306.365 4.378 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 71624262 BAGDSBRGWXVOOH-CYBMUJFWSA-N 323.820 4.170 0 40 DIAB C[C@@H]1C[C@@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 78999753 WAFOQERJYNGVML-ZWNOBZJWSA-N 321.829 4.433 0 40 DIAB Cc1ccc(Nc2nnc(SC3CCOCC3)s2)cc1C 96003414 SFDAULLBJNXUJR-UHFFFAOYSA-N 321.471 4.170 0 40 DIAB COC[C@@H](N[C@H](C)c1sc(C(C)(C)C)nc1C)c1ccco1 97017186 QDQIJUZWMADYLC-DGCLKSJQSA-N 322.474 4.380 0 40 DIAB CCc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225043886 WYGJODDJQHFREW-HXUWFJFHSA-N 320.388 4.477 0 40 DIAB CCCCCNC(=S)Nc1ccc(Br)c(C)c1 225377971 WIMVEZREIKBEBR-UHFFFAOYSA-N 315.280 4.234 0 40 DIAB CCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCCCC1 225711737 UGXOEWOIVLKSMM-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(C)cn1)c1ccc(C)cc1C 225717224 HWURAAGBLMTABZ-INIZCTEOSA-N 313.470 4.445 0 40 DIAB CCCCc1ccc(C(=O)OC)n1Cc1ccc(Cl)cc1 226027168 JKVMZDXPQHKRFV-UHFFFAOYSA-N 305.805 4.319 0 40 DIAB CCOC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 226235370 RLOSCSOUQZHSFS-UHFFFAOYSA-N 300.745 4.060 0 40 DIAB O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@H]1C[C@H]1F 1520658094 KQTBAQYWHXPIPI-JKSUJKDBSA-N 306.340 4.198 0 40 DIAB CCOC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1 253007 SGHKHIKFXQJJNV-UHFFFAOYSA-N 315.369 4.128 0 40 DIAB Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1Br 514192 LQDPPBLQUQFHSU-JXMROGBWSA-N 316.198 4.409 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1O 3131760 DHBGYXBRHYAUEU-UHFFFAOYSA-N 315.678 4.317 0 40 DIAB CCCCCO[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3176748 XWBDRWCBBDORGD-NSHDSACASA-N 318.672 4.052 0 40 DIAB COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl 3272059 AYLZUZWPXYYLSM-UHFFFAOYSA-N 323.801 4.012 0 40 DIAB O=C1Nc2ccccc2S/C1=C/Nc1ccc(Cl)cc1 5204632 HOZKSJKGMLQVHQ-NTEUORMPSA-N 302.786 4.338 0 40 DIAB FC(F)(F)c1ccccc1NC(=S)NC1CCCCC1 5338247 GDEDLKAEZASPRY-UHFFFAOYSA-N 302.365 4.325 0 40 DIAB S=C(Nc1ccccc1)Nc1ccc(Br)cc1 5593345 KJHGRSFROPLPID-UHFFFAOYSA-N 307.216 4.258 0 40 DIAB C(=C/c1cc(CCc2nc3ccccc3[nH]2)n[nH]1)\c1ccccc1 5606668 OWYXAQBXRBXNCS-ZHACJKMWSA-N 314.392 4.242 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1noc2c1C[C@H](C)CC2 7000194 YGKKBWGFEGPDRI-SECBINFHSA-N 304.777 4.014 0 40 DIAB CN1C(=O)Cc2cc(-c3csc(Nc4ccccc4)n3)ccc21 7321313 WGEPJTMMEOVEAY-UHFFFAOYSA-N 321.405 4.073 0 40 DIAB O=C(Nc1cccc2ncccc12)c1ccc2ncsc2c1 8231316 VORRJQLSXHZGGX-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB COc1cc(CN[C@H]2CCSc3ccccc32)cc(OC)c1 8329006 RKASSCYNURAJEG-KRWDZBQOSA-N 315.438 4.031 0 40 DIAB CC[C@@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)O 8732919 PYKXQAKATHEIJD-GFCCVEGCSA-N 309.431 4.017 0 40 DIAB O=C(C[C@@H]1C=CCC1)Nc1ccc(-n2cnc3ccccc32)cc1 10427414 HHRNTPCPZHGVRQ-OAHLLOKOSA-N 317.392 4.320 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc2cccnc12 10782869 CKYUWDAVWFZOII-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB COc1cc(OC)c(NC(=O)/C=C/c2cccs2)cc1Cl 14016850 HGLYKTRDORWNIC-AATRIKPKSA-N 323.801 4.071 0 40 DIAB CCOc1ccc2oc(C(=O)Nc3ccccc3O)c(C)c2c1 14184496 SKFXIRYZVOXNTR-UHFFFAOYSA-N 311.337 4.098 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 15331172 WPLAUOMVNUWBLR-NSHDSACASA-N 307.752 4.194 0 40 DIAB CC(C)c1cc(CN2[C@@H](C)COC[C@H]2C)cc(C(C)C)c1O 17325408 CABIFKLIZMZVIX-GASCZTMLSA-N 305.462 4.248 0 40 DIAB Fc1ccccc1CN[C@H](Cc1ccsc1)c1nccs1 19349527 DFXKXUJANXVYSY-OAHLLOKOSA-N 318.442 4.417 0 40 DIAB S=C(NC1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 20625945 NMBGVROOAJYVPT-INIZCTEOSA-N 316.857 4.056 0 40 DIAB CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCc2ccccc21 23151231 PCNGRNRUSRSBHH-QGZVFWFLSA-N 301.336 4.114 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)Nc3cc(F)ccc3F)cc12 27976643 JXJOIQNJZBICEU-UHFFFAOYSA-N 314.335 4.326 0 40 DIAB Cc1nc2ccccc2nc1NCCc1c[nH]c2ccccc12 29401439 QOHSDIITUUBXCT-UHFFFAOYSA-N 302.381 4.074 0 40 DIAB O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 30163201 KEEFMVSOHGNPEP-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC(C(C)C)C(C)C 44847381 FAFBFQMTLDSSAB-KRWDZBQOSA-N 305.462 4.258 0 40 DIAB CC(C)c1ccsc1C(=O)Nc1nnc(C(C)(C)C)s1 48942209 DQRZXZFWMGQQER-UHFFFAOYSA-N 309.460 4.273 0 40 DIAB CCN(C(=O)CN(Cc1ccccc1)c1ccc(C)cc1)C1CC1 59394125 NZBLSJZDLJYFRJ-UHFFFAOYSA-N 322.452 4.013 0 40 DIAB C[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 70037262 QCCFWKHNQFQVBQ-MRVWCRGKSA-N 312.438 4.010 0 40 DIAB Cc1cc(N)cc2nc(Cc3ccc(Br)cc3)oc12 70461481 ZCYDHSAHSXJXMU-UHFFFAOYSA-N 317.186 4.072 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1[nH]nc(C2CC2)c1Cl 75110452 ADSQKSBISXDORU-UHFFFAOYSA-N 310.184 4.155 0 40 DIAB Cc1cnc(NC(=O)c2ccc(-c3cccs3)nc2C)s1 75476789 YAUUPHUEDNJZLV-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB c1ccc(CC[C@H]2CCCN2c2cnc3ccccc3n2)cc1 84528501 HEBWQBKNRHHKBS-QGZVFWFLSA-N 303.409 4.231 0 40 DIAB CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2c(F)cccc2F)C1 95411718 VQUIEMMQQPWDRU-WDEREUQCSA-N 314.401 4.103 0 40 DIAB Cc1c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc2c(F)cccc12 105764106 XSHQCIDZIKURRF-ABHRYQDASA-N 315.388 4.435 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)c1csc(-c2ccoc2)n1 108152392 ALUYFFUOGUCGCE-UHFFFAOYSA-N 322.748 4.448 0 40 DIAB C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCC2 223231469 AXGRYLPXPSOZBT-ZDUSSCGKSA-N 305.377 4.413 0 40 DIAB Cc1cccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)c1 223372262 HEPYPKIBHGICJM-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 224609483 KVVSIBQOJKAQNF-IAGOWNOFSA-N 305.462 4.403 0 40 DIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c(C)c1 225739734 UMSKCORBOHLSQJ-SFHVURJKSA-N 307.434 4.318 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCC[C@@H]1C 226254267 WNJFPZZHGPDLJK-HNNXBMFYSA-N 323.440 4.208 0 40 DIAB COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc12 409196392 UNFGCMNJJGFEMK-QGOAFFKASA-N 315.372 4.365 0 40 DIAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H](c2ccsc2)C1 670855699 BUQMXUDYLVKRKR-LLVKDONJSA-N 306.818 4.423 0 40 DIAB O[C@H](CNc1nc2ccccc2o1)c1csc2ccccc12 1775970848 SNOANIACSUIYEQ-CQSZACIVSA-N 310.378 4.188 0 40 DIAB CC(C)[C@@H]1COC(C2(C3=N[C@H](C(C)C)CO3)CCCCCC2)=N1 1988179725 DJCGHEVVNVWACP-HOTGVXAUSA-N 320.477 4.234 0 40 DIAB Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 149932 IGRMOJWYJRWYIQ-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB Cc1cccc2nc(-c3cccnc3)c(NC3CCCCC3)n12 417867 WHKWFOMGXZDAQZ-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@H]1Cc1ccco1 500346 YFLRKXISNOEIDD-LRDDRELGSA-N 318.804 4.466 0 40 DIAB Cc1cccc(-c2nc3sc(-c4cccc(C)n4)nc3s2)n1 1666411 WKNNLUANXWICRT-UHFFFAOYSA-N 324.434 4.494 0 40 DIAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)cc1F 2517878 WPMOBRHFJAFZMB-UHFFFAOYSA-N 300.226 4.198 0 40 DIAB COc1cc(C(=O)Nc2cccc(Cl)c2C)cc(OC)c1C 2633646 LUBFCTYCCYIJBO-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1c(O)ccc2c(=O)c(-c3ccc4ccccc4n3)coc12 3171828 RJYWXVBVNIQMQX-UHFFFAOYSA-N 303.317 4.022 0 40 DIAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2c1 5266428 JJKGNSREXKMZCM-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC2 5611076 CXLASVWNKXFLOX-UHFFFAOYSA-N 304.393 4.228 0 40 DIAB CC(=O)Oc1ccccc1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 5707317 FJEWZTKJWDXTTJ-JCKWVBRZSA-N 318.413 4.230 0 40 DIAB C[C@@H]1CCc2c(sc3[nH]c(=S)n(C4CCCC4)c(=O)c23)C1 5926410 FRXFGMWTNXDVCD-SECBINFHSA-N 320.483 4.360 0 40 DIAB Cc1c(-c2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 6549992 MBVKEXAISRLWDV-UHFFFAOYSA-N 310.422 4.160 0 40 DIAB CCCCNCc1ccc(OCc2cccs2)c(OC)c1 7261685 RXQRVLCYUKVOSX-UHFFFAOYSA-N 305.443 4.225 0 40 DIAB COc1ccc(-c2nnc(SCc3cccc(C)c3)o2)cc1 8762274 IXXPIUQUMOKQGR-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB Cc1cc(C)c(OCC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 11211426 BHIWYXUTDOCBDQ-HXUWFJFHSA-N 323.436 4.258 0 40 DIAB O=C(CNc1ccccc1-c1ccccc1)NCc1cccs1 11619058 FEXBSHUPTAVKSJ-UHFFFAOYSA-N 322.433 4.143 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]2CCCC[C@@H]21 12569360 SVTFMRYDPCZBSH-YOEHRIQHSA-N 310.397 4.136 0 40 DIAB CC(C)[C@@H](C)NC(=O)c1cccc(OCc2ccc(F)cc2)c1 21872085 SCDPTBGDQHZQGK-CQSZACIVSA-N 315.388 4.179 0 40 DIAB CCc1nc(COC(=O)c2ccc3c4c(cccc24)CC3)cs1 22748063 KUDFSYSNVRTSKE-UHFFFAOYSA-N 323.417 4.314 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 24068887 FEMUVFUNQUVUAC-KBPBESRZSA-N 317.429 4.492 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2F)c(C)c1 28221263 WEZICTXNWPHUEE-GFCCVEGCSA-N 304.340 4.464 0 40 DIAB Cc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccco2)cc1 32722035 YFCRSOKIISJTPJ-ZHACJKMWSA-N 307.349 4.428 0 40 DIAB CCC(CC)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1 36415909 JJNIMNQSGAJASD-ZIAGYGMSSA-N 322.493 4.480 0 40 DIAB O=C(Nc1nc2ccccc2n1C1CCCCC1)c1ccoc1 40145763 HUZWHQDJINJLQI-UHFFFAOYSA-N 309.369 4.387 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccccc1 44839609 ZHSQWZBDCLHETN-SUMWQHHRSA-N 317.816 4.375 0 40 DIAB Fc1cc([C@@H]2NCc3ccccc3-n3cccc32)cc(F)c1F 55028110 PMVNWEJJUFQYPO-SFHVURJKSA-N 314.310 4.087 0 40 DIAB CC(C)c1nc(CSc2nc(-c3cccs3)n[nH]2)cs1 71846649 GXUBXQQHFLZWOQ-UHFFFAOYSA-N 322.484 4.405 0 40 DIAB CC(C)Oc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72211996 SAQAMGYGUWGPRM-GOSISDBHSA-N 324.424 4.236 0 40 DIAB Cc1cc(N2CCc3ccccc32)ncc1C(=O)c1ccccc1 72223942 HKTRAZIGIJIXGG-UHFFFAOYSA-N 314.388 4.315 0 40 DIAB CCOc1cccc(C(=O)Nc2cnc(C)c(Cl)c2C)c1 72265143 CPRHVDNPRQALJV-UHFFFAOYSA-N 304.777 4.003 0 40 DIAB COc1cc(C(C)=O)ccc1O[C@H]1CCCc2ccc(F)cc21 95444420 CUHBRYDBFYUEBI-KRWDZBQOSA-N 314.356 4.493 0 40 DIAB Cc1cc(Cl)ccc1[C@@H](O)c1ccccc1Br 95730065 LMWMQOIMCSYIJH-CQSZACIVSA-N 311.606 4.493 0 40 DIAB C[C@H](NC(=O)Nc1ccc(Cl)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 104562396 PYPUEKBHSVPLLO-ZPFDUUQYSA-N 310.800 4.425 0 40 DIAB Cc1cc(C)c(C(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224939133 MVIUMOPIGPPFST-UHFFFAOYSA-N 308.425 4.464 0 40 DIAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225608054 FSWYKZHVZKINNO-SFHVURJKSA-N 307.434 4.172 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3)N21 260759302 FYDNJSLXEFDSOT-PVAVHDDUSA-N 309.438 4.061 0 40 DIAB CCSc1nc2ccccc2c(=O)n1C1CCC(C)CC1 1888932251 UVAMVNMRZJAIJL-UHFFFAOYSA-N 302.443 4.260 0 40 DIAB Cc1cccc(-c2nnc(N(C)C(=O)C3CCCCC3)s2)c1 1345390 NBSMYELLHIHGQP-UHFFFAOYSA-N 315.442 4.057 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2)cc1 1621431 CBYZELXTVBROSO-UHFFFAOYSA-N 324.401 4.430 0 40 DIAB CN(C)c1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1 2657317 GZYCCBZBBFSNKS-UHFFFAOYSA-N 322.380 4.320 0 40 DIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1 3239444 BUKJHYXPCRWFHT-GOSISDBHSA-N 306.317 4.061 0 40 DIAB COc1ccc2c(CC(=O)N[C@@H](C)CCCC(C)C)coc2c1 3528505 UHXZLAJQUSNDQM-AWEZNQCLSA-N 317.429 4.315 0 40 DIAB Cn1cnnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 6085305 HSWNDAZKUDESPO-OAHLLOKOSA-N 315.829 4.350 0 40 DIAB CC(=O)c1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1 6515284 SSBSLEQIJAIFDQ-UHFFFAOYSA-N 309.148 4.415 0 40 DIAB CC(=O)Nc1ccc(OC(=O)Nc2ccc(C)c(Cl)c2)cc1 6550676 GSMLPOOAKXXYKW-UHFFFAOYSA-N 318.760 4.218 0 40 DIAB O=C(Oc1ccc2c(c1)CCC2)c1ccc(Br)cc1 6646497 NTKXKLVRCYSKBN-UHFFFAOYSA-N 317.182 4.157 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl 6745655 JKUUZQVGGIOKER-INIZCTEOSA-N 318.779 4.321 0 40 DIAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)c1c[nH]c2ccccc12 7987443 UNADOLPXZRCBGS-KBPBESRZSA-N 322.408 4.099 0 40 DIAB O=C(OCc1nc2ccccc2o1)C1(c2ccccc2)CCCC1 8574047 NPVJMDWQCUOLNA-UHFFFAOYSA-N 321.376 4.383 0 40 DIAB Cc1nc2c(C)cc(Cl)cc2c(O)c1CN1CCC[C@H](C)C1 8717235 LPQUMQQVSVZBHI-NSHDSACASA-N 318.848 4.443 0 40 DIAB Cc1nc2c(c(Nc3ccc(N4CCCCC4)cc3)n1)CCC2 11907843 FWYZUONGDYPPGF-UHFFFAOYSA-N 308.429 4.008 0 40 DIAB CC(C)c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 13724138 XRAPWQKXSJMVSS-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB COC[C@H](C)Nc1nc(-c2cc(C)n(C(C)C)c2C)cs1 14120217 QNOMJIABDUXNGQ-NSHDSACASA-N 307.463 4.256 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(C)cc2)c2cccnc12 15840724 MHUVYFRIADUFGM-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB COc1cccc(COC(=O)c2cc3ccccc3cc2OC)c1 16208178 CUFCTENICXYIGX-UHFFFAOYSA-N 322.360 4.214 0 40 DIAB COC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)cs1 16322476 WMZFSSWEHOOPEN-MRVPVSSYSA-N 313.831 4.117 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccccc1 20039616 KPRXFHBRVCRRKF-ROUUACIJSA-N 311.425 4.420 0 40 DIAB Cn1c2c(c3ccccc31)CCN1CCC[C@]21c1ccccc1 20410377 KLBANMXKJPIDCF-NRFANRHFSA-N 302.421 4.074 0 40 DIAB biogenic CN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 26294890 XRHXWACOGJAHNP-RYUDHWBXSA-N 320.380 4.011 0 40 DIAB CSc1nnc(C(C)(C)C)c(OCc2cccc(Cl)c2)n1 27300123 KGECLTABXXDDEJ-UHFFFAOYSA-N 323.849 4.123 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 36562776 NIJCKRUXRABDER-XJKSGUPXSA-N 317.816 4.375 0 40 DIAB O=C(O)/C=C/c1ccc(-c2ccc(Br)s2)s1 44201155 WTYXPBBWGBZKRE-QHHAFSJGSA-N 315.213 4.337 0 40 DIAB CC1(C)OC12[C@@H]1c3c(F)c(F)c(F)c(F)c3[C@H]2[C@H]2C=CC=C[C@@H]21 45071232 UXZPCDKSPSVOHF-YIIWYRETSA-N 322.301 4.343 0 40 DIAB CC[C@@H]1c2ccsc2CCN1Cc1ccn(-c2ccccc2)n1 58167908 VEMZWYIMAZNBRS-GOSISDBHSA-N 323.465 4.443 0 40 DIAB CCCn1c(SCc2ccccc2)nnc1-c1ccncc1 58857476 WCUCPSRMTCTIOR-UHFFFAOYSA-N 310.426 4.042 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2)cc1 59351738 ACKIGYIVCGXYMV-LJQANCHMSA-N 311.425 4.204 0 40 DIAB Cc1cc(C)c2oc(NC(=O)[C@H]3Cc4ccccc4S3)nc2c1 72313708 BPNTXTQIGYRIRC-OAHLLOKOSA-N 324.405 4.100 0 40 DIAB O=C([C@H]1CC=CCC1)N(Cc1ccc(F)cc1)CC(F)(F)F 95961486 PFDXMWQRGQKCPS-ZDUSSCGKSA-N 315.310 4.073 0 40 DIAB C[C@H](NC(=O)N1C[C@H]2CC[C@@H]1C2)c1ccc(-c2cccnc2)cc1 96447394 ZZZIYDDYQLELCB-YZVOILCLSA-N 321.424 4.004 0 40 DIAB Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1 100631265 ZYKRRWSKRVMRNJ-UHFFFAOYSA-N 319.404 4.246 0 40 DIAB COC(=O)c1cc(C)c(OCc2ccccc2Cl)c(C)c1 216725447 YJRJQEZFMOTGJM-UHFFFAOYSA-N 304.773 4.322 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1C 224433533 DKZKYAYHSWOERM-IRXDYDNUSA-N 305.462 4.485 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2 225631169 DNOCMIHYBIDGPY-MRXNPFEDSA-N 307.437 4.317 0 40 DIAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(OC)c1 408586313 MSHMURXKMDSEIQ-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Cc1nc2cc(C(=O)N(C)c3ccc(C)c(C)c3)ccc2s1 408978899 OHCAXJSHZKLOIF-UHFFFAOYSA-N 310.422 4.498 0 40 DIAB CCOC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 62237 MOBBXZWGNYONPU-UHFFFAOYSA-N 322.389 4.393 0 40 DIAB Cc1ccc(N2N[C@@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)cc1C 93144 VYTAONWKLRDLIJ-KPZWWZAWSA-N 317.502 4.045 0 40 DIAB Clc1ccc(Nc2nc(Cl)nc(NC3CCCC3)n2)cc1 290804 YYZYGTKUDLZLQC-UHFFFAOYSA-N 324.215 4.277 0 40 DIAB O=C(COC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 360470 NIGVFHXQWXAATI-UHFFFAOYSA-N 309.148 4.033 0 40 DIAB Cc1cccc(-c2nn3c(-c4ccccc4C)nnc3s2)c1 525466 VFZYQWJENRVZPH-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB CCC[C@H](C)C(=O)N(C(C)=O)c1ccc(Cl)c(Cl)c1 1568993 NZVYBNYMJRDNNT-VIFPVBQESA-N 302.201 4.309 0 40 DIAB Cc1ccccc1[C@@H]1c2c(C)cccc2C(=O)C[C@H]1CC(=O)O 1601999 MYVGZIGBDHZWOU-VBKZILBWSA-N 308.377 4.113 0 40 DIAB C[C@@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1 2298587 SMKKNYUPYASFQV-KRWDZBQOSA-N 307.437 4.246 0 40 DIAB COc1ccc(C(=O)CCc2ccc(Br)cc2)cc1 2516750 AOQKOQJLNLBQNR-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB C[C@@H]1CC[C@@](C)(C(=O)CNC(=S)Nc2ccccc2)C1(C)C 3846116 QTDFEDDXQLVCNA-ACJLOTCBSA-N 318.486 4.005 0 40 DIAB biogenic CC(C)(C)C(=O)Nc1nnc(/C=C/c2ccc(Cl)cc2)s1 4694996 KTGJEDZOWCKDNI-RMKNXTFCSA-N 321.833 4.347 0 40 DIAB CC(C)C(=O)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 5429170 HYLNTTYZOQTKDW-UHFFFAOYSA-N 314.362 4.083 0 40 DIAB Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12 6719840 LKKQOEDHJPYYCC-UHFFFAOYSA-N 311.724 4.442 0 40 DIAB CC(=O)CSc1nc(C)nc2scc(-c3cccs3)c12 7813873 JOFFTDGKERIRID-UHFFFAOYSA-N 320.464 4.409 0 40 DIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1F 7917850 UFVSESNWSRMWFL-NSHDSACASA-N 317.389 4.130 0 40 DIAB CC[C@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 8128820 ZVHQORPNPMFUTD-KSSFIOAISA-N 314.404 4.202 0 40 DIAB CCc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1 8276053 JUFYFWGIRDSMMP-UHFFFAOYSA-N 317.816 4.482 0 40 DIAB O=C(Nc1ccccc1OC(F)F)c1cccc2ncccc12 11479722 CKLXPCIUSNQVDX-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB CCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 11695164 SIPLYNOEJRZKOJ-UHFFFAOYSA-N 315.417 4.204 0 40 DIAB Cc1ccccc1[C@@H](Sc1nnnn1C1CC1)c1ccccc1 12880637 QQPZFXNSXSJCSZ-KRWDZBQOSA-N 322.437 4.198 0 40 DIAB COc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 12997854 FTZFNXXONYLCII-UHFFFAOYSA-N 324.380 4.007 0 40 DIAB Clc1ccc(-c2cnc(CSc3ncccn3)o2)cc1 14069173 DLFZXFCLMVEVMJ-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O=C1C[C@@H](c2ccc(F)cc2)Cc2c1cnn2-c1ccc(F)cc1 17066372 RUBPBMUNEZADHT-ZDUSSCGKSA-N 324.330 4.063 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@]12C 26569641 NVUUMOOKVFONOM-UXXOSCIKSA-N 300.442 4.333 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N1CCCCCCC1 32772281 YKTHJYUIMFMFSL-UHFFFAOYSA-N 304.415 4.118 0 40 DIAB CCc1ccc(CNC(=O)c2cc(SC)ccc2C)s1 32930305 SDZXRIBVZBJSBS-UHFFFAOYSA-N 305.468 4.271 0 40 DIAB C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2o1 33235590 FPFHYAUQODUPGV-VMPCVLLUSA-N 312.394 4.122 0 40 DIAB CCN(C(=O)c1ccc(C)s1)[C@H](C)c1cccc(OC)c1 36396706 SAEFUKBQHJRRCC-CYBMUJFWSA-N 303.427 4.288 0 40 DIAB C[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)c1cccs1 40071112 UTUOQVGVIVAFKU-YPMHNXCESA-N 318.467 4.345 0 40 DIAB C[C@H]1c2cccn2CCN1Cc1csc(Cc2ccccc2)n1 51498789 AGXQQBFDXMRZLF-HNNXBMFYSA-N 323.465 4.112 0 40 DIAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCCC1 57525956 JULPFVZFRKEUHA-LJQANCHMSA-N 304.393 4.188 0 40 DIAB COCc1c(C(=O)N(C(C)C)C2CC2)sc2ccccc12 65591291 BZKNLEPUJQMJCG-UHFFFAOYSA-N 303.427 4.061 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 71761721 UQXDZSVVRZKWRI-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB Cc1ccccc1-c1nnc(C2(c3ccccc3)CCOCC2)o1 71889571 GYHSBJCAELGOKL-UHFFFAOYSA-N 320.392 4.142 0 40 DIAB COc1ccccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72221465 LZRBMUGPOFNBDL-QGZVFWFLSA-N 311.381 4.169 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3C)n3ncnc3N2)cc1 72332457 SRGVJYOKDWFXBV-OALUTQOASA-N 318.424 4.350 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 83293769 QAAQQTDJEXMIMF-ONNYUIQLSA-N 318.501 4.307 0 40 DIAB Cc1ocnc1CSCc1c(F)cccc1Br 92948421 VWLBAQIDXAWWEV-UHFFFAOYSA-N 316.195 4.318 0 40 DIAB Clc1cccc(-c2cnc(CSc3cccnn3)o2)c1 95469127 BBZDLVUSXOVDGC-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O[C@H](c1ccc(Br)cc1)c1ccc(F)c(Cl)c1 95730296 XNQQNRRVDRRQRC-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 95968433 HRAAAVFWZYJICW-YOEHRIQHSA-N 312.413 4.045 0 40 DIAB COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2onc(C)c21 102734380 FOODNRTXNZIPLZ-INIZCTEOSA-N 310.353 4.206 0 40 DIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccccc1 106644324 MBHTVIULRIQAPH-FHLIZLRMSA-N 309.409 4.018 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 222571173 SQYZFEGDWNMZMD-UHFFFAOYSA-N 324.211 4.468 0 40 DIAB CCc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223252255 OWGOFLMAMMVOGN-OAHLLOKOSA-N 307.437 4.158 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1C 223490303 HIWZXVIXQXWOJJ-OAHLLOKOSA-N 315.388 4.007 0 40 DIAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1 225073269 JHOXFZCHJJQLHQ-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccccc1 225081820 IATHXEUJMYGJDW-CYBMUJFWSA-N 311.164 4.068 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225291530 JMUFIVYIQYKJLT-OAHLLOKOSA-N 309.409 4.280 0 40 DIAB Cc1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225545961 XBGCNWZJSNNRNV-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1conc1-c1ccccc1 225872472 KESCAELZVYYZNB-HNNXBMFYSA-N 320.392 4.093 0 40 DIAB CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N)c1 226299149 IFKBFJRABAZPDE-UHFFFAOYSA-N 312.413 4.217 0 40 DIAB CC(C)(C)OC(=O)Nc1cc2cccc(Br)c2cn1 669385170 GJWNXKBKMJBTCG-UHFFFAOYSA-N 323.190 4.344 0 40 DIAB Cc1ccc(CSc2nnc(-c3ccccc3F)o2)cc1 415718 DKHQZDSEKGWYMK-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB CC(=C/c1ccccc1)/C=C1/N=C(c2ccccc2F)OC1=O 430199 PGUTUJYQQOOAPO-RTNVFWHRSA-N 307.324 4.117 0 40 DIAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1cccc(O)c1)N2 818070 XCURTSUOOGDXPJ-LJQANCHMSA-N 305.381 4.153 0 40 DIAB Cn1nc(-c2ccccc2)c(COCc2ccccc2)c1Cl 1388797 DXQFIQZKDGRFEW-UHFFFAOYSA-N 312.800 4.457 0 40 DIAB Cc1sc2ncnc(Oc3ccc(-n4ccnc4)cc3)c2c1C 3503699 LAKNYTVOZFRDLQ-UHFFFAOYSA-N 322.393 4.286 0 40 DIAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)o1 4174142 JLBBCXBYSPNVDR-CSKARUKUSA-N 310.378 4.363 0 40 DIAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)CCc3ccccc3)cc2c1 4696045 NZXYBJPKEQLGOB-HNNXBMFYSA-N 306.409 4.227 0 40 DIAB CSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 5222526 NDZJSTUQIFKLFN-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1 6396853 YVGCXGNZMONWFE-BUHFOSPRSA-N 322.408 4.467 0 40 DIAB CC1=C(C)[C@@H](c2c[nH]c3ccccc23)N(Cc2ccc(C)o2)C1=O 6450085 ODTONQYRXFGGSB-IBGZPJMESA-N 320.392 4.489 0 40 DIAB COc1cc(CNCC(C)C)ccc1OCc1cccs1 6883593 LDWPEDTYVXSDPY-UHFFFAOYSA-N 305.443 4.081 0 40 DIAB O=C(NCc1ccccc1F)c1cc2c(s1)CCCCC2 6943251 VTQPZSZHWNSYKL-UHFFFAOYSA-N 303.402 4.086 0 40 DIAB c1coc(-c2cc(CSc3ncnc4sccc34)no2)c1 7329431 VDOAGPFAJHUGLX-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB O=C(NCc1ccccc1F)c1cc2cc(F)ccc2s1 8331283 ALHDMKRDEJBARV-UHFFFAOYSA-N 303.333 4.110 0 40 DIAB Cc1ccc(-c2nc(C)cc(Nc3ccc(C(=O)O)cc3)n2)cc1 8702976 MLVCOPLOVYPYQN-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB CCCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 9134565 XAOCGOJMRAOORI-UHFFFAOYSA-N 324.380 4.198 0 40 DIAB Cc1cccc(CS[C@@H](C)C(=O)NCc2ccc(F)cc2)c1 9912445 KPRXGUIQPAYYDP-AWEZNQCLSA-N 317.429 4.072 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 10979448 OLTBOIKADWKACN-UHFFFAOYSA-N 315.316 4.250 0 40 DIAB O=C(NCc1csc(-c2ccccc2)n1)Nc1ccccc1 14815478 RFISDBZPRSPHBR-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(C)cc2)cc1 16689864 HQTSDCKOXONXOZ-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB Fc1ccccc1[C@@H]1N[C@H](c2nccs2)Cc2ccsc21 19368260 DHMYRPCDPBFGAF-KBPBESRZSA-N 316.426 4.320 0 40 DIAB CC[C@H](C)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19900132 KWDAXLMBWKAZOQ-KKXNLOMOSA-N 300.490 4.129 0 40 DIAB Cc1nc(CC(=O)Nc2ccccc2-c2ccccc2)cs1 21357654 IFZVSJUJOHCASI-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB O=Cc1ccc(-c2ccc(SCCO)c(Cl)c2Cl)o1 22124767 TWOFEXAKJCJFIC-UHFFFAOYSA-N 317.193 4.150 0 40 DIAB CC(C)CNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258223 APCVIRILDQJSAX-UHFFFAOYSA-N 317.816 4.305 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1ccc(-n2ccnc2)cc1 24050966 ARVOYLDAWVSBPX-UHFFFAOYSA-N 317.392 4.003 0 40 DIAB CN(Cc1ccsc1)c1nc(C(F)(F)F)nc2ccccc12 24134319 FCGUUZVBFIBYKR-UHFFFAOYSA-N 323.343 4.347 0 40 DIAB CCOC(=O)c1c(C)[nH]c(-c2csc(-c3ccco3)n2)c1C 25204453 FCTCNPOOEJDZPC-UHFFFAOYSA-N 316.382 4.192 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)Cc2sc(S)nc2C)cc1 40016039 KARFMRTXUUKWFR-SNVBAGLBSA-N 320.483 4.435 0 40 DIAB Cc1cc(C)c2oc(-c3ccc4nc(NN)sc4c3)nc2c1 40542377 KUJHTZZNQNAGCB-UHFFFAOYSA-N 310.382 4.007 0 40 DIAB CCOc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1 49467972 LYEZXLOWAXIGDI-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB Cc1noc([C@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)n1 56205362 KRXBSELZTANPNL-AWEZNQCLSA-N 322.412 4.188 0 40 DIAB FC(Cl)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl 56958741 CMVFABYKWZDQMC-PVQJCKRUSA-N 303.844 4.459 0 40 DIAB Cc1ccc(-c2nn(CNc3ccccc3F)c(=S)o2)cc1 59497985 RLBXWCCSLLSOLR-UHFFFAOYSA-N 315.373 4.390 0 40 DIAB O=C(Nc1nc(Sc2ccccc2)ns1)c1cccs1 72238676 LSAFQLIQWGHVSR-UHFFFAOYSA-N 319.436 4.003 0 40 DIAB O=C(CC1CCCCC1)Nc1nc(-c2ccc(F)cc2)ns1 72427767 ZMOMDXGXNCQIGL-UHFFFAOYSA-N 319.405 4.253 0 40 DIAB CCOc1cccc(-c2nnc(-c3cccc(OCC)c3)o2)c1 73634429 HGXALRUTKVZRLC-UHFFFAOYSA-N 310.353 4.201 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Br)cc2)c1F 80053759 PUEOEUIUXFPXAC-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB COc1cc(C(=O)c2cccc3ccccc23)cc(OC)c1OC 95917286 CVPNQSPGBDCJKZ-UHFFFAOYSA-N 322.360 4.097 0 40 DIAB Cc1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)c(C)o1 97084912 GDBWKNWSNWVZIL-HXUWFJFHSA-N 311.834 4.040 0 40 DIAB O=c1c(-c2ccccc2)c(O)c2ccccc2n1-c1ccccc1 100249999 YWEIHGYPWBJOHR-UHFFFAOYSA-N 313.356 4.363 0 40 DIAB biogenic,in-vitro O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@@H]1C[C@H]2C=C[C@H]1C2 102844391 LZXCSEUQQPYNGO-ZQGRQUNCSA-N 301.389 4.409 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccccc2)c1 113935334 XYXDMURQUZMZFC-INIZCTEOSA-N 313.466 4.414 0 40 DIAB COC(=O)c1ccc(CN2c3ccccc3[C@@H](C)CC2(C)C)o1 223231066 XSHHGNIUPWDSNO-ZDUSSCGKSA-N 313.397 4.359 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 224305094 BOQATTVGMTWGEA-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB Cc1cc(C)c(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c(C)c1 225136031 GHIHHRTUBZUMDL-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1 225897866 NYUQMGHRHOQLHY-SFHVURJKSA-N 322.449 4.103 0 40 DIAB Cc1ccsc1CN1CCCC[C@@H]1c1ncn2ccsc12 257340913 ZIBUYDFPSPXUGZ-CYBMUJFWSA-N 317.483 4.493 0 40 DIAB Cc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1 73449 OTEYDVXTQBPLOL-UHFFFAOYSA-N 304.397 4.009 0 40 DIAB O=C(Nc1ccccc1)c1c(Cl)cc(Cl)nc1Cl 92987 TYIBNMHWNWLHQK-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1cc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)no1 195659 NDRNHMDWRWQAJC-LJQANCHMSA-N 318.380 4.369 0 40 DIAB Cc1cccc(-c2nnc(NC(=O)CCc3ccccc3)s2)c1 4087692 KDXPJCZAWHCJGV-UHFFFAOYSA-N 323.421 4.085 0 40 DIAB Cc1c(Cl)nc2ccccc2c1C(=O)NC1CCCCC1 4588652 VQRKRFGJUCLSLJ-UHFFFAOYSA-N 302.805 4.259 0 40 DIAB CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 4986397 NSJHKGTWQDMSIL-UHFFFAOYSA-N 315.394 4.168 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 5547224 JDQGLXRLALZOTA-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1F 5594313 XYXVHZFALRGWNT-UHFFFAOYSA-N 324.380 4.106 0 40 DIAB CCn1cc(/C=C\C(=O)Nc2cccc(Cl)c2Cl)c(C)n1 5658917 LNZOQQHCJCRMKJ-FPLPWBNLSA-N 324.211 4.170 0 40 DIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1Cl 6351682 JWRCPPXZVIETDI-NSHDSACASA-N 323.849 4.237 0 40 DIAB COc1ccc(/C=C/C(=O)O[C@H](C)c2ccccc2)cc1OC 6406477 CPEOAPNORCUMAD-IEZBTEQYSA-N 312.365 4.021 0 40 DIAB Cc1cc2oc(=O)cc(CN[C@@H]3CCCC[C@@H]3C)c2cc1Cl 6552421 KFVKPVKLMZZWSZ-MEDUHNTESA-N 319.832 4.423 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1 6811445 COYSUMDCDPEVHT-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(Nc1ccccc1-c1nc2ccccc2s1)C(F)(F)F 8053878 OYGZTENILXQYNW-UHFFFAOYSA-N 322.311 4.464 0 40 DIAB C[C@@H](Nc1ncnc2sc3c(c12)CCC3)c1ccc(F)cc1 8063265 GDKWJFJUWDABNT-SNVBAGLBSA-N 313.401 4.492 0 40 DIAB Cc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)o1 8816274 JLYZIFLOPVNDSO-UHFFFAOYSA-N 320.392 4.259 0 40 DIAB Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)s1 9691541 ZAZYXTKKDRNQAU-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB COc1ccc2cc(C(=O)Nc3ccccc3C)c(C)nc2c1 10403723 AMCBPXGPAPAVOO-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CC(=O)c1ccc(NC(=S)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 12385112 CMTXYUCHBBPYJQ-MKBNYLNASA-N 304.459 4.000 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccoc1 12909177 LQXKKULUJYRJDT-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB Cc1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cc1 15977056 DZYJFJAZPGHVII-MDZDMXLPSA-N 319.326 4.343 0 40 DIAB O=C(CCCC(=O)c1cccs1)Nc1ccc2ccccc2n1 24926418 HEBLUWWFAOFHFE-UHFFFAOYSA-N 324.405 4.288 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c(C)o1 28221079 BVQNYRFUFMFXJW-AWEZNQCLSA-N 308.381 4.178 0 40 DIAB Cc1cccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)c1 32478457 SOEHFHWOWNNYBY-UHFFFAOYSA-N 321.380 4.006 0 40 DIAB O[C@@H]1CCCc2c(OCCCOc3ccc(F)cc3)cccc21 32741502 SRSLXSCMQMGJOG-GOSISDBHSA-N 316.372 4.043 0 40 DIAB O=C(c1cnc(-c2ccccc2)s1)N(Cc1ccco1)C1CC1 32931377 LORKWYIVHDQADA-UHFFFAOYSA-N 324.405 4.208 0 40 DIAB C[C@@H](CC(=O)O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 36040018 JPMVLMBCHRXPLT-NSHDSACASA-N 303.358 4.003 0 40 DIAB COc1ccc(-c2cc(Nc3cccc(C(C)=O)c3)ncn2)cc1 36708969 SNZLVJNKQDJXEG-UHFFFAOYSA-N 319.364 4.098 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccnc1)CCC2 57435462 DLNJXWGINCOZGW-KAMYIIQDSA-N 316.360 4.205 0 40 DIAB Cn1c(-c2ccc(F)cc2)ccc1-c1nnc(-c2ccco2)o1 67299914 DDAXPIISTYTSFC-UHFFFAOYSA-N 309.300 4.141 0 40 DIAB Cc1ccccc1Oc1ncccc1CNC(=O)c1occc1C 67713793 QQBXFJPHZKIKQM-UHFFFAOYSA-N 322.364 4.014 0 40 DIAB Clc1cc(-c2cc(Br)cs2)nc(Cl)n1 71666485 ZDLDGVLKEXUALA-UHFFFAOYSA-N 310.003 4.274 0 40 DIAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72213515 SCFOKPYATPPPAT-QAPCUYQASA-N 323.440 4.269 0 40 DIAB Cc1csc([C@H](OC(=O)c2sccc2C)C(F)(F)F)n1 75568035 NIODMFXVPDBHNT-VIFPVBQESA-N 321.345 4.282 0 40 DIAB CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cccs2)c1 95420464 XQMZYHSYNSWXSK-KGLIPLIRSA-N 316.470 4.127 0 40 DIAB Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)CCCC3)c1 96586357 PTUUZHCSAKPNCD-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 113959651 FMRODRRJSMYYSA-KDOFPFPSSA-N 315.388 4.169 0 40 DIAB Cc1cc(Br)cc(C)c1NC(=S)NCC(C)C 132000323 JGXOXXUSKZQSJV-UHFFFAOYSA-N 315.280 4.008 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)cc3)N21 222640072 FYSQPHAGNOBMOX-BPQIPLTHSA-N 323.465 4.369 0 40 DIAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(C)c1 223249831 FNZLEOSRRCCYCH-INIZCTEOSA-N 307.437 4.212 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 260529703 YFEYXLOOTCLWQB-WQCNXYOZSA-N 323.436 4.302 0 40 DIAB Cc1ccc(C)c(-n2ncc(N[C@H](C)c3cc(C)n(C)n3)c2C)c1 502472560 NLDGYAWLRBRFCV-OAHLLOKOSA-N 323.444 4.013 0 40 DIAB Cc1ccc2cnccc2c1NC(=O)[C@H]1CCOc2ccccc21 1588180182 IVPZSQSXCINHLA-KRWDZBQOSA-N 318.376 4.048 0 40 DIAB Cc1cccc(OCC(=O)Nc2cccc3ccccc23)c1C 122301 XYTHQPNLPRIXKZ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 144461 USYIEIDNTHGGFS-UHFFFAOYSA-N 313.397 4.108 0 40 DIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C)c1C 354827 FRQRWIKAQJQCAD-UHFFFAOYSA-N 317.410 4.102 0 40 DIAB O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 522242 GYPHHDMJCMYUSU-UHFFFAOYSA-N 313.788 4.186 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1cccc(Cl)c1 569749 QVDOHLQQOFARSA-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB O=C(Nc1cccc(Cl)c1)C(C(F)(F)F)C(F)(F)F 2281707 GYTYZBHPDGZXBA-UHFFFAOYSA-N 305.605 4.019 0 40 DIAB biogenic COc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1OC 2747619 KCMJUGMMWXWDSY-UHFFFAOYSA-N 313.397 4.008 0 40 DIAB biogenic Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccccc3)cnn12 5483988 MZVFVJUBPJSNFJ-UHFFFAOYSA-N 320.783 4.299 0 40 DIAB Cc1ccc2nc([C@@H](CC(C)C)NC(=O)c3ccccc3)[nH]c2c1 5626083 VMILHDBQLVPSTI-GOSISDBHSA-N 321.424 4.389 0 40 DIAB CCCCc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 5793238 ULJJCQINBLIWMX-XYOKQWHBSA-N 323.392 4.410 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2c1 6811205 JHHNOBBRNNSOCA-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(CCSCc1ccccc1)NCc1ccc(Cl)cc1 7685639 HWNIMDCIRSTOAA-UHFFFAOYSA-N 319.857 4.280 0 40 DIAB CN(CC(=O)Nc1cccc(F)c1)Cc1ccc2ccccc2c1 8127609 NBWPLVOAVPUNAL-UHFFFAOYSA-N 322.383 4.049 0 40 DIAB CCn1c(C)cc2cc(NC(=O)c3cc(C(C)C)nn3C)ccc21 12148367 HFACLLJNKLBJFM-UHFFFAOYSA-N 324.428 4.079 0 40 DIAB Cc1ccsc1-c1nnc2sc(-c3cccc(F)c3)nn12 12391502 JWYBZAAEGUVJGH-UHFFFAOYSA-N 316.386 4.029 0 40 DIAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccco1 12625239 OTGPFCSQNMJXFR-UHFFFAOYSA-N 311.312 4.141 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc2ccccc2s1 12818741 IDFYPJDLVOEFOJ-CYBMUJFWSA-N 322.433 4.207 0 40 DIAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 13001191 YZRJKCGZTODABE-GFCCVEGCSA-N 315.363 4.335 0 40 DIAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1 13816305 CTRGQVFQHOPYLQ-AWEZNQCLSA-N 314.454 4.441 0 40 DIAB CC[C@@H](NC(=O)CSc1ccc(OC)cc1)c1ccccc1 20491186 HGAQYWOJYWRLCQ-QGZVFWFLSA-N 315.438 4.055 0 40 DIAB O=C(NCC1(c2cccs2)CC1)c1ccc(F)cc1Cl 22680002 SHSORIMBRJUYJO-UHFFFAOYSA-N 309.793 4.002 0 40 DIAB C[C@@H](NC(=O)CCc1cccnc1)c1cccc2ccccc12 23433831 IJIHDBYWVXRZCS-OAHLLOKOSA-N 304.393 4.045 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 30866781 NGWBBTLNAZPBCW-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB CCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 32837031 ALODHKRJCBWXEP-UHFFFAOYSA-N 305.324 4.227 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1 43209983 JTDAYFLJPGBDNJ-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)s1 48345533 OBCZXKBCDOSENK-ZDUSSCGKSA-N 303.427 4.335 0 40 DIAB Cc1noc(C)c1CN(C)Cc1ccccc1Oc1cccnc1 58356900 WMOZNOWQBSIDNL-UHFFFAOYSA-N 323.396 4.111 0 40 DIAB Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(F)c(Cl)c1 72306823 YFKVYXUCRAGFST-UHFFFAOYSA-N 322.645 4.047 0 40 DIAB Cc1cc2occ(CC(=O)Nc3n[nH]cc3C)c2cc1C(C)C 76016650 HCBRBCHEOUEQEY-UHFFFAOYSA-N 311.385 4.077 0 40 DIAB Cc1ccc([C@@H](O)c2cccc(Br)c2)cc1Cl 95730271 FMJPECWNXVUYBY-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C 95851256 PRLVTUNWOQKEAI-UHFFFAOYSA-N 305.447 4.182 0 40 DIAB COC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 109768467 ACDVBPOCEQQYMQ-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB CCOc1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1 222979441 KHNWWMMVILZIQN-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB CCc1nc2ccc(NC(=S)NC3CCCC3)cc2s1 225206197 FNQBQUCFXYUXEP-UHFFFAOYSA-N 305.472 4.088 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225388406 QGLYNHRMNOFPKI-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB CCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 225629974 RFVQMIIMJKRSTA-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB CCOc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641596 MWHYJFCAHIWKJR-UHFFFAOYSA-N 319.445 4.236 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c(N)c1 226304778 PQTQHGKFGZVVNU-KBPBESRZSA-N 312.413 4.240 0 40 DIAB CC[C@@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1C=C[C@@H]2O)CC(OC)=CC4 1570001140 YCIFPDMJINZGBH-SWBPCFCJSA-N 300.442 4.370 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 570303 UUXQJKFVQAVBNS-UHFFFAOYSA-N 300.789 4.193 0 40 DIAB Cc1cccc(C)c1OCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 572798 KDTTVSVXPPYMSY-JXFKEZNVSA-N 315.457 4.109 0 40 DIAB Cc1cc2cc(CNC(=O)c3ccc(Cl)cc3)ccc2n1C 4061509 QCMAHBNQQZCJOH-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB COc1ccc(F)cc1CSc1nc2ccccc2n1C 6580089 AARBIPGHPNXTRI-UHFFFAOYSA-N 302.374 4.013 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccccc1 6940628 IFXYKLWQUWTLEG-MRXNPFEDSA-N 300.427 4.133 0 40 DIAB Cc1ccc(F)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 9677798 XPTLXNOAMGNQSS-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CC[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 12874763 YVYZBPFLVBHXFB-OAHLLOKOSA-N 306.409 4.020 0 40 DIAB O=C(NC1CCCCC1)c1cnc2ccccc2c1C(F)(F)F 12977884 BHVKUVGDYHHBLL-UHFFFAOYSA-N 322.330 4.316 0 40 DIAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1OCc1ccccc1 13687042 KDIQITOWQMAWPZ-SCTDSRPQSA-N 321.420 4.184 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 13709850 KJPUOOMOQJAYQX-VIFPVBQESA-N 311.715 4.024 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 14573620 OEANCRZEYYHTCN-ONOODXEBSA-N 309.409 4.203 0 40 DIAB O=C(/C=C/c1ccsc1)n1cccc/c1=N\C1CCCCC1 14903755 HVFKBVMTHADRAZ-QOQXLPRBSA-N 312.438 4.137 0 40 DIAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)on1 16705441 ZBNIAKXOVCUJPD-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1nc2ccccc2s1 18700274 JVBWLVSLFILKGW-UHFFFAOYSA-N 300.358 4.007 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(Cl)cc2)s1 19927579 IDPMIYRZFADNIZ-RNCFNFMXSA-N 324.858 4.272 0 40 DIAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CCCCC1 19934064 KKFVBBXEDHGNPO-UHFFFAOYSA-N 314.473 4.077 0 40 DIAB CN(Cc1ccccc1)C(=O)c1csc(-c2cccs2)n1 21706764 YVFVMOACECXKEO-UHFFFAOYSA-N 314.435 4.144 0 40 DIAB COc1ccc(C)cc1CCNCc1ccccc1C(F)(F)F 25638986 ORDRLUNLRBBAFZ-UHFFFAOYSA-N 323.358 4.355 0 40 DIAB FC(F)(F)c1ccnc(Nc2ccc(-c3nccs3)cc2)n1 29374849 QXXFOAWFHIHUMW-UHFFFAOYSA-N 322.315 4.363 0 40 DIAB COc1ccccc1C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 30116584 NLMFTVJHFNXSLV-LLVKDONJSA-N 323.314 4.205 0 40 DIAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccc[nH]c1=S 31206985 GPGAXYRDWYFVAV-UHFFFAOYSA-N 314.410 4.318 0 40 DIAB Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1 35183673 NBLNRDDTSCTACI-UHFFFAOYSA-N 305.171 4.019 0 40 DIAB Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)s1 43500225 ALPGVRONHSSUIS-UHFFFAOYSA-N 313.344 4.348 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1 43760054 OQIRKMVMVLOGIF-UHFFFAOYSA-N 303.352 4.192 0 40 DIAB CCOc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 44845508 HSNJSOUAZYMRJB-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)N(C)Cc1sccc1C 46015555 ODGLHFNIQVGDAC-UHFFFAOYSA-N 317.458 4.095 0 40 DIAB S=c1oc(-c2ccccc2Cl)nn1CN1CCCCCC1 59497999 RVKGSCLFRLBLKU-UHFFFAOYSA-N 323.849 4.359 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2ncccc2c1 60788317 GQLWQVFKDQGCII-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB COc1cccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c1 71288073 WPAAMJZVTAQTJU-CQSZACIVSA-N 317.414 4.064 0 40 DIAB Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCCCC1 71326676 MYPRFAZFVDOTAG-UHFFFAOYSA-N 321.490 4.259 0 40 DIAB CC(=O)Nc1ccc(NC(=O)Nc2cc(F)ccc2Cl)cc1 72282549 YMOKULOCCBJZLN-UHFFFAOYSA-N 321.739 4.082 0 40 DIAB Cc1ccn2c(-c3csc(-c4cccc(N)c4)n3)c(C)nc2c1 85397367 IJIXEPVCDOUJQB-UHFFFAOYSA-N 320.421 4.324 0 40 DIAB COc1ccccc1[C@H](NC1CCSCC1)c1ccccc1 95953677 ZDKORRXGMUSUOW-LJQANCHMSA-N 313.466 4.270 0 40 DIAB C[C@@H](NCC1=Cc2cc(Cl)ccc2OC1)c1cccc(O)c1 105461319 MQJSWHLVUFFLQH-GFCCVEGCSA-N 315.800 4.172 0 40 DIAB CC(=O)c1cccc(C(F)(F)F)c1NC(=O)OC(C)(C)C 199831543 YNDQMXIILYXUFA-UHFFFAOYSA-N 303.280 4.255 0 40 DIAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)s1 214055423 OODBVSINCCLWPI-NTEUORMPSA-N 315.419 4.293 0 40 DIAB CC(C)Oc1cccc(CCCNC(=O)Nc2ccccc2)c1 222626896 DBDPUCCUYIKQEG-UHFFFAOYSA-N 312.413 4.228 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2C)c(C)c1 223252027 ISMSMWMFKIGABJ-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB Cc1ccc(CC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 224996977 WPZHHOLDVKGRLH-UHFFFAOYSA-N 321.342 4.181 0 40 DIAB CC[C@H](C(=O)O)N(C)c1cc(Cl)ccc1Oc1ccccc1 225005056 YAIAPWGSJKXWMT-CQSZACIVSA-N 319.788 4.432 0 40 DIAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226862198 GVNBRZOXSKDAEH-UHFFFAOYSA-N 323.417 4.048 0 40 DIAB CCN(Cc1ccccn1)C(=O)[C@H](C)c1cccc(CC(C)C)c1 585081827 JEJDNAQHFYWAIV-QGZVFWFLSA-N 324.468 4.432 0 40 DIAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 2632672 ULWGVDFWMIYISI-NSHDSACASA-N 308.208 4.413 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(F)cc1 3554050 ASHONGGIZZVBSG-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB O=C(/C=C/c1ccccc1F)Nc1ccc(C(F)(F)F)cc1 3566678 TYXJQGQOXYSGFC-BJMVGYQFSA-N 309.262 4.496 0 40 DIAB CCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1 4910160 JMJFUCSCOVMIEV-QGZVFWFLSA-N 323.421 4.093 0 40 DIAB CC[C@H](C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 6753139 PMZYNPMJXVPNIZ-HNNXBMFYSA-N 321.424 4.012 0 40 DIAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 9112868 CTJVJBLLYCRFIX-OAHLLOKOSA-N 303.793 4.048 0 40 DIAB CC(=O)Nc1ccccc1OCc1cccc(C(F)(F)F)c1 9390206 LWDHPJAOCFVEBO-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB CCC[C@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 9501579 SVZXIPIZRLWWBR-SFHVURJKSA-N 310.397 4.167 0 40 DIAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 11009388 FTHARGQJCGKMRK-UHFFFAOYSA-N 321.336 4.176 0 40 DIAB Cc1cccc(OCCCCn2c(C=O)nc3ccccc32)c1C 11735038 LRCQBSDOZLOMLL-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccco1 12156712 ZAWWLKIHJWUSFZ-HNNXBMFYSA-N 311.381 4.236 0 40 DIAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(C)C)cc1 12773467 XMBPJHUJKXJQHW-IBGZPJMESA-N 324.424 4.023 0 40 DIAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc2ccccc2c1 12921512 OGNODPQGJXZMCI-MRXNPFEDSA-N 318.420 4.299 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1cccc(Cl)c1 14738174 MPDBKERXMFOIEE-QWHCGFSZSA-N 315.800 4.085 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(N)cc1 17052838 JVASNCDHVHAJNY-CYBMUJFWSA-N 314.454 4.259 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(N)c1 19736500 KCOBPZBRFFEHPR-INIZCTEOSA-N 318.804 4.027 0 40 DIAB Cc1ccc(-c2cc(CNC(=O)c3ccc(C)c(C)c3)no2)cc1 21010092 ZMHIVRGKEBBNAB-UHFFFAOYSA-N 320.392 4.197 0 40 DIAB O=C(CCc1ccc(Cl)cc1)Nc1cnc2ccccc2c1 23353591 TWVZHZKMXDCCSN-UHFFFAOYSA-N 310.784 4.460 0 40 DIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 25248026 UXZAFDOLHQOKQD-GWCFXTLKSA-N 313.228 4.183 0 40 DIAB O=C(CC1CCCCC1)N[C@H](c1ccccc1)c1ccccn1 29711644 QRMDEXFFBRUGKJ-HXUWFJFHSA-N 308.425 4.258 0 40 DIAB Fc1ccc2oc([C@H]3CCN(Cc4ccccc4F)C3)nc2c1 35446908 HHXCDCPMHLMSBD-ZDUSSCGKSA-N 314.335 4.096 0 40 DIAB biogenic,in-vitro CCc1cc(Br)c2oc(-c3ccncc3)nc2c1 41569805 FXUGYNPJIOWFTO-UHFFFAOYSA-N 303.159 4.215 0 40 DIAB N[C@H](c1cccc(Cl)c1)c1ccccc1OC(F)(F)F 55205580 YJUUHOAXSDEJQA-CYBMUJFWSA-N 301.695 4.287 0 40 DIAB CCC(=O)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 70462038 OEAGXDSRVSCNNJ-UHFFFAOYSA-N 310.353 4.111 0 40 DIAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2sccc2C)cc1 74518704 LUWCPGBRRLNNGG-CVEARBPZSA-N 315.438 4.015 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 78457975 NZZMMZHGMLGFAA-CVEARBPZSA-N 311.425 4.202 0 40 DIAB COCc1ccccc1NC(=O)Nc1cc(F)ccc1Cl 79101641 NMICYWYDBQLCAW-UHFFFAOYSA-N 308.740 4.270 0 40 DIAB Cc1cccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1Cl 84219355 NYBPPVTXTACADE-ZDUSSCGKSA-N 318.808 4.131 0 40 DIAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 100297153 PUADRQDIQCVJJS-WRTGVOGBSA-N 301.474 4.144 0 40 DIAB Nc1c(-c2ccccc2F)c(C(F)(F)F)nn1-c1ccccc1 225179113 XYKCBAJEEQHDOQ-UHFFFAOYSA-N 321.277 4.279 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1 225639170 DDAWZRIPPADVHV-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB CCC[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC(C)C 257225076 FERZXMWKJXXWMC-OIMSXUDKSA-N 321.505 4.159 0 40 DIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccccc1Cl 408527758 HRLOLBRHKDGRKW-UHFFFAOYSA-N 310.740 4.016 0 40 DIAB Cc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 45821 ZPNDOYWWTSDLOO-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 102942 REUCQIABFJJFIC-MRVPVSSYSA-N 307.488 4.146 0 40 DIAB Cc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)cc1 386097 XSRUKVWVCQSKMB-SNVBAGLBSA-N 315.225 4.331 0 40 DIAB Cc1ccccc1CN1N=C(/C=C/c2ccccc2)CCC1=O 1382995 NLQGEDUOIDHOII-VAWYXSNFSA-N 304.393 4.187 0 40 DIAB C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1 3440929 GRDCGRZUEBGXBI-HNNXBMFYSA-N 310.441 4.448 0 40 DIAB N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1 3903058 CCBAQQBNNVZHPG-RBCZPYDQSA-N 316.332 4.020 0 40 DIAB aggregator Cc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)O)c(C)c1 4825367 YSUWBWRGDZCJJD-UHFFFAOYSA-N 317.410 4.325 0 40 DIAB c1ccc(NC2=NN(c3ccccc3)CN2c2ccccc2)cc1 5162443 PZJZKXQHZCCGQN-UHFFFAOYSA-N 314.392 4.354 0 40 DIAB Cc1cc(C)c(NC(=O)COc2ccccc2F)c(Cl)c1 5611923 GKFZCYULDGMHII-UHFFFAOYSA-N 307.752 4.113 0 40 DIAB Cc1ccccc1CSCC(=O)Nc1c(F)cccc1F 6479346 KJKZANASKDTPGZ-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=S)N1CCCCC1 6735448 PBKAFIDDXPDCCL-UHFFFAOYSA-N 304.242 4.163 0 40 DIAB CC(=O)c1ccc(OC(=O)c2nc(-c3ccccc3)oc2C)cc1 7984839 XBKYUPANAPCUQH-UHFFFAOYSA-N 321.332 4.072 0 40 DIAB O=C(CCc1cccs1)Nc1ccc(-c2nccs2)cc1 7985709 BCPIXRMJCKSEGP-UHFFFAOYSA-N 314.435 4.443 0 40 DIAB Cc1ccc(F)cc1NC(=O)CSCc1ccc(F)cc1 8271309 INPBKCGWCBEQOJ-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)[C@@H]1C 12609134 BUKISCCFJPQVGX-JMSVASOKSA-N 313.363 4.189 0 40 DIAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CC3)o2)cc1 12885969 JSSSRPXNYHMOML-UHFFFAOYSA-N 318.376 4.209 0 40 DIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1cccs1 15962539 PPTKGPCWSOWVEL-UHFFFAOYSA-N 308.815 4.253 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1 16202876 DORBPGZGROFXST-UHFFFAOYSA-N 311.410 4.018 0 40 DIAB O=C(NCCCc1ccccc1)c1cc2cc(Cl)ccc2o1 17298565 QWPZAEHCVRWWEY-UHFFFAOYSA-N 313.784 4.449 0 40 DIAB Cc1c(N)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 19736329 KGDVKWYEVBGOSD-AWEZNQCLSA-N 312.413 4.107 0 40 DIAB Nc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 20193923 PEGADCSVOBPMPV-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 20452257 OXWPGSRWANAZOI-UHFFFAOYSA-N 319.857 4.232 0 40 DIAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(Oc3ccccc3)c2)C1 20734547 IDWJHGZDCDSBMV-OAHLLOKOSA-N 305.337 4.326 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1C 22250695 ZIHNHDLDSDQPLO-UHFFFAOYSA-N 301.411 4.368 0 40 DIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 22836692 POOGJPJMVUMBHY-UHFFFAOYSA-N 306.365 4.148 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1OC 23640837 IHEDCGJRYPYWHU-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB Cc1cc(C)cc(N[C@@H](C)C(=O)NCCC2=CCCCC2)c1 28874700 QXJJXNAKKHFZQY-INIZCTEOSA-N 300.446 4.111 0 40 DIAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 30116582 NLMFTVJHFNXSLV-NSHDSACASA-N 323.314 4.205 0 40 DIAB C[C@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(Cl)c1 35982549 QFPGGYBXXIHZBK-ZDUSSCGKSA-N 301.817 4.495 0 40 DIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2ccsc2)C1 36359726 IZYBFGLBHQCGLZ-CYBMUJFWSA-N 313.357 4.197 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1C)c1ccccc1OC(F)F 36398113 OTYSPDYUKGUBMD-OAHLLOKOSA-N 319.351 4.478 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1n[nH]c2ccccc12 40056862 YSTAKKKOZUOKAE-GFCCVEGCSA-N 319.364 4.142 0 40 DIAB Cc1cc(C)c([C@H](O)c2cccc(Br)c2)c(C)c1 40249247 ZNFKRFXCGAKOGC-MRXNPFEDSA-N 305.215 4.456 0 40 DIAB COc1c(Cl)cccc1NC(=O)N1CCc2sccc2C1 56755660 ZNXIFVNETNQHFU-UHFFFAOYSA-N 322.817 4.000 0 40 DIAB Cc1cc(C)c2cc(C(=O)N(Cc3ccc(C)o3)C3CC3)[nH]c2c1 57996391 HWPNBZAUYJVVDU-UHFFFAOYSA-N 322.408 4.491 0 40 DIAB Cc1ccc(C(=O)CSc2nc3ccc(N)cc3s2)cc1 59040802 OXMUHXFJYDATES-UHFFFAOYSA-N 314.435 4.162 0 40 DIAB CC(C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229837 MLNWQTNYKHRUQN-MRXNPFEDSA-N 303.789 4.016 0 40 DIAB c1coc(-c2nc(SC[C@H]3CCCO3)c3ccccc3n2)c1 72303368 GRQXMNMHFOJGQZ-GFCCVEGCSA-N 312.394 4.161 0 40 DIAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 78458714 VVFODCPOLZVMQG-BUYIWHAFSA-N 309.409 4.148 0 40 DIAB Cc1cc(F)cc(NC(=O)c2ccc(Br)cc2)c1 80053755 QGXCVIGFLXLRFR-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 219602200 SGTLLMICHMSDTI-QGZVFWFLSA-N 315.800 4.087 0 40 DIAB CCc1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225787915 MSCXYVHDSWMTLC-UHFFFAOYSA-N 315.423 4.081 0 40 DIAB Cc1ccc(CSc2nnc(C)n2-c2ccc(F)cc2)cc1 409094887 AIPKIOVNCLLDOV-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB O=C(Nc1cccc(Cl)c1F)c1cnc(-c2ccco2)s1 504482340 PSKHRJDTHXNTEY-UHFFFAOYSA-N 322.748 4.448 0 40 DIAB CCc1cc(N[C@@H](C)c2nnnn2C2CCCCC2)ccc1F 506653703 KZCMHVIOBYCEEM-LBPRGKRZSA-N 317.412 4.053 0 40 DIAB COc1ccc(OC(=O)c2ccc(-c3ccccn3)s2)cc1 124845 KOUIJZHIEBXIJO-UHFFFAOYSA-N 311.362 4.038 0 40 DIAB COc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1 284719 NOJKHOIYTXYIJA-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 486641 ILASKJCQJCCFED-UHFFFAOYSA-N 303.361 4.224 0 40 DIAB CCN1C(=O)/C(=C/C=C/c2ccccc2Cl)SC1=S 970607 BQGRWBGUZRUKOV-RTFKAXJXSA-N 309.843 4.117 0 40 DIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)c1ccccc1 3582764 SODJDLVCCLVTAP-NSHDSACASA-N 323.223 4.457 0 40 DIAB CCCCN(C(=O)c1cc(OC)cc(OC)c1)c1ccccc1 4783168 CHQMSWKJFQAMMO-UHFFFAOYSA-N 313.397 4.151 0 40 DIAB O=C(c1ccccc1)c1ccc(OCc2ccccc2)cc1O 5603356 SXJSETSRWNDWPP-UHFFFAOYSA-N 304.345 4.202 0 40 DIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1 5627105 SSCLXRYGRBPZDK-ZDUSSCGKSA-N 308.406 4.354 0 40 DIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3Cl)oc2c1 6811236 POLMJRIWYXJLQX-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB Cc1ccc(SCCNC(=S)Nc2cccc(C)c2)cc1 7368304 GTCQJMCLGDIVCM-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB Cc1cccc(-c2nc(CC(=O)Nc3ccccc3O)cs2)c1 9499005 VJHXQVHKYSAYKH-UHFFFAOYSA-N 324.405 4.005 0 40 DIAB Cc1[nH]c(SCCOc2ccccc2)nc1Cc1ccccc1 9946538 LQVVCPHRGVUIGH-UHFFFAOYSA-N 324.449 4.480 0 40 DIAB NC(=O)c1ccc(CSCc2ccc(F)cc2Cl)cc1 10109635 BJAIJPIKZSHHFD-UHFFFAOYSA-N 309.793 4.011 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)cc1 11637142 WZQWXFHWIMNYAD-GOSISDBHSA-N 313.397 4.108 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)c(F)c1 15541965 SKNKCBNGOLGIDK-MRXNPFEDSA-N 321.754 4.499 0 40 DIAB Clc1nc(Cc2ccccc2)nc2sc3c(c12)CCC3 21054342 PDLAIXJUGDUJRS-UHFFFAOYSA-N 300.814 4.424 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C)cc1 21117215 CMQTVPAXOWWJTN-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB O=C(O)c1cccnc1Nc1cc(C(F)(F)F)ccc1Cl 22151790 XTAAXHZWKLXBCG-UHFFFAOYSA-N 316.666 4.196 0 40 DIAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 27676360 BYGBPPDDFXTTAS-LBPRGKRZSA-N 319.351 4.494 0 40 DIAB CCC(CC)c1nn2cc(-c3ccccc3OC)nc2s1 28540067 MQGLRXKPIUAPIT-UHFFFAOYSA-N 301.415 4.370 0 40 DIAB CC[C@H](C(=O)NCCCOC1CCCCC1)c1ccccc1 40049165 VCEADDZXEBRPER-SFHVURJKSA-N 303.446 4.036 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C1CCCCC1 44846583 LEQYZNQBEWUFQF-MRXNPFEDSA-N 309.837 4.289 0 40 DIAB CCc1cc(-c2ccc(C(=O)O)o2)cc(C)c1Br 45889474 LXMHKZXLMIVDOC-UHFFFAOYSA-N 309.159 4.278 0 40 DIAB Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1-n1cnnc1 45920679 RJJHXLZFDIWXIA-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB Cc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1C 55123715 ICBJDTXGCRFNHV-UHFFFAOYSA-N 309.409 4.029 0 40 DIAB Cc1ccc(NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1 58333216 UTFMRTJITOYYIM-UHFFFAOYSA-N 323.440 4.412 0 40 DIAB Cc1cc(N(C)Cc2ccccc2)ncc1[C@@H](N)c1ccccc1 72223406 OQQGINUPDZVWFP-NRFANRHFSA-N 317.436 4.075 0 40 DIAB CC(C)C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccccn1 95420345 LOWWDJSHMAVPOG-FQEVSTJZSA-N 320.440 4.144 0 40 DIAB O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 95916038 LCKINRFTEPAKGM-UHFFFAOYSA-N 302.329 4.313 0 40 DIAB Clc1cccc([C@H](NCc2cccnc2)c2ccccn2)c1 96473241 OZXJSTUEJFOEDM-SFHVURJKSA-N 309.800 4.009 0 40 DIAB Cc1cc(C)c([C@H](C)NCc2ccc([S@@](C)=O)cc2)c(C)c1 97227512 XAVYDQIZCBQCFK-AOMKIAJQSA-N 315.482 4.200 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(C)c(C)c1 223388648 DWNABTDWVQGBMB-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1cccc(C)c1 224436993 OSHPFWNBNRFQHA-WMZOPIPTSA-N 305.462 4.485 0 40 DIAB Cc1cccc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225073131 BBYQFAPVZAMXCJ-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225633452 DMGVFFUMIXHRDH-ZRGWGRIASA-N 319.445 4.398 0 40 DIAB CCc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1 225874465 NLOVLHMLJHSJOI-LBPRGKRZSA-N 319.807 4.461 0 40 DIAB Cc1cc(N)cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc12 226248604 HAVMVOYMNMKJSW-UHFFFAOYSA-N 314.213 4.081 0 40 DIAB CC1=CCC[C@@H]2[C@H](C=C(C)CC1)OC(=O)[C@H]2CN1CCCCC1 254306834 BYFVAWVWHDPHGP-FHWLQOOXSA-N 317.473 4.097 0 40 DIAB biogenic CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 408681754 SAKXOFFXUDFHBT-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCC[C@H](Nc1ccc(F)cc1F)n1nnc2ccccc21 49087 SRTAWQWKYADUJB-MRXNPFEDSA-N 302.328 4.120 0 40 DIAB COc1ccc(NC(=O)Cc2cccc3ccccc23)c(OC)c1 264409 AKUUVDVNJZAXGQ-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB Cc1ccc2nc(-c3ccc(Br)c(N)c3)oc2c1 365505 VJONFTMPSQYFHI-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB COc1ccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 514325 FSWKOEAMGQWUBZ-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CCOC(=O)c1c(C)n(CC)c2c1cc(OC)c1ccccc12 521783 IRLGKLWEYFNRAV-UHFFFAOYSA-N 311.381 4.308 0 40 DIAB CCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1OCC 574974 QEDIFHJMCFDMQB-FOWTUZBSSA-N 323.392 4.001 0 40 DIAB O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1C(=O)O 1010625 ZRQZCLKELCTHSX-UHFFFAOYSA-N 309.793 4.337 0 40 DIAB CCCCOC(=O)c1cccc(C(=O)OCc2ccccc2)c1 1747956 QDKAUHONDCKMOU-UHFFFAOYSA-N 312.365 4.001 0 40 DIAB CCCN(CCC)C(=O)C[C@@H](c1ccc(OC)cc1)C(C)C 2447816 FPYQXZODMUJRPI-GOSISDBHSA-N 305.462 4.474 0 40 DIAB Cc1ccccc1NC(=O)NCc1cccc(C(F)(F)F)c1 2532722 QMCPRSHHVGXFBR-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB CCc1cccc(NC(=O)c2cccc(Br)c2)c1 3473185 UQKCLRZKMDTFHJ-UHFFFAOYSA-N 304.187 4.264 0 40 DIAB CC(C)C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1 7185606 JSJCFRKXVYARQW-IBGZPJMESA-N 310.441 4.270 0 40 DIAB Cc1cc(C)c(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)c(C)c1 8267760 YIAGVNLOFHZFER-ZWKOTPCHSA-N 314.473 4.062 0 40 DIAB COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2C2CC2)cc1 9028537 LJTRSQOONALISN-UHFFFAOYSA-N 309.365 4.028 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1 9112130 JBSUDQPMHWDNGW-UHFFFAOYSA-N 309.321 4.333 0 40 DIAB COc1ccccc1-c1nnc(SCc2ccc(C)cc2)[nH]1 10475484 IKVULLAIYWUOLW-UHFFFAOYSA-N 311.410 4.081 0 40 DIAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)(C)C)cc1 11709826 PUTNOTNSKRZSJZ-CYBMUJFWSA-N 314.454 4.498 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 11749956 BINSXBPUKCCDFC-UHFFFAOYSA-N 320.219 4.455 0 40 DIAB O=C(NCc1ccc(F)cc1)C1(c2cccs2)CCCC1 12157542 CPLLWZMXJCNOCP-UHFFFAOYSA-N 303.402 4.015 0 40 DIAB CCOc1ccccc1NC(=S)NCCCc1ccccc1 13817418 BGAVQGNZHBRBKE-UHFFFAOYSA-N 314.454 4.005 0 40 DIAB COc1cc(C)ccc1Oc1ccc(Br)cc1N 14631031 HTMVNSQRGMMTNE-UHFFFAOYSA-N 308.175 4.141 0 40 DIAB COc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1Cl 15840585 AYIHNDQLAZZMHQ-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB Fc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 19345309 MUCQFJCRMQYRMZ-HNNXBMFYSA-N 309.388 4.082 0 40 DIAB C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(F)cc1 20106646 MMKBUVKMZXTMPJ-GFCCVEGCSA-N 321.392 4.075 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 20455611 ZFKRRDMZTDFXEI-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)Cc3cccc(F)c3)nc12 24553472 BMNUMCXZDTZYOX-UHFFFAOYSA-N 314.385 4.233 0 40 DIAB CCN(CC)C(=O)Cc1c(-c2ccccc2)n(C)c2ccccc12 26896209 YOSCBOPVMVWHNF-UHFFFAOYSA-N 320.436 4.256 0 40 DIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CCc1ccsc1 36394809 OHDYWSXXKSRAJK-LBPRGKRZSA-N 307.846 4.082 0 40 DIAB O=C(c1ccc(Br)cc1)c1c(F)cc(F)cc1F 37359021 GHAKBDOPRPYYTG-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB COc1cc(OC)cc(C(=O)c2ccc(Cl)c(Cl)c2)c1 37377548 FWSZRJDEGVMIOR-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1ccc(CSCC(=O)N(C)Cc2ccc(C)cc2)cc1 44905183 PQTPRWGOIQYPRR-UHFFFAOYSA-N 313.466 4.195 0 40 DIAB Cc1cc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)on1 48343536 MNOXXHATBOUMQR-CQSZACIVSA-N 304.365 4.029 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccsc1 49550192 AUOJDROXBOHKKP-GFCCVEGCSA-N 307.444 4.124 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2Cl)c(N)c1 70462828 XTKKCWFXBWTNMR-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1nccs1 83869853 AOMGBESPHNBYHF-HZPDHXFCSA-N 308.406 4.063 0 40 DIAB O=C(O)c1cc(-c2cccc3cnccc23)nc2ccccc12 85400092 WVJFVOBDXKNPIF-UHFFFAOYSA-N 300.317 4.148 0 40 DIAB CC[C@@H](NCc1ccncc1)c1ccccc1Br 89947911 AQOSKWJJEZWNHY-OAHLLOKOSA-N 305.219 4.085 0 40 DIAB Fc1cc(OCc2cccc(Br)c2)cc(F)c1F 95915317 SURXCIGKXKKQPF-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)NC[C@@H](C)c2ccsc2)c1 95968798 QJKHZCDCKGKKQP-CHWSQXEVSA-N 302.443 4.161 0 40 DIAB C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cccc2ccccc12 100100955 LETJYNNVXGYIQZ-FQEVSTJZSA-N 324.387 4.487 0 40 DIAB COC(=O)/C(=C(/C)Nc1ccc(Cl)cc1F)c1ccccc1 100914569 ORHYFQHSWQBRHX-WJDWOHSUSA-N 319.763 4.495 0 40 DIAB C[S@@](=O)c1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 195553937 DEOISGKJOUQSBW-AUSIDOKSSA-N 322.433 4.021 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223217495 DDNHFOKESJSAMX-CVEARBPZSA-N 323.436 4.128 0 40 DIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1 225737377 DMOMSOJXGXBRET-GOSISDBHSA-N 307.434 4.399 0 40 DIAB COc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805815 JKCATNSPECXJEH-UHFFFAOYSA-N 313.397 4.136 0 40 DIAB CCN1C(=O)/C(=C\c2cc(C)c(OC)cc2C)c2ccccc21 409122345 YFDPXYDEMKSOPS-ATVHPVEESA-N 307.393 4.219 0 40 DIAB CCn1cccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409137426 WHWKLBSGJVVVER-RVDMUPIBSA-N 318.442 4.125 0 40 DIAB O=C(NCC[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1F 1534542082 DLIHVQALHASOKV-ZDUSSCGKSA-N 317.791 4.329 0 40 DIAB Clc1ccc2nc(N3CC[C@H](c4ccccn4)C3)sc2c1 2298088991 DZZOJGXXLSTGIB-NSHDSACASA-N 315.829 4.339 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2C)c(Br)c1 128745 KGDNFTHJKBOOAI-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCOC(=O)c1nc(Nc2cccc(C)c2C)c2ccccc2n1 145898 PTGGTYQAZCZYRO-UHFFFAOYSA-N 321.380 4.167 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Cl 187282 XIGZJWBBMFBHIG-UHFFFAOYSA-N 307.736 4.294 0 40 DIAB O=C(CCOc1ccccc1)Nc1ccc(Cl)c(Cl)c1 244283 SAWAAQICKQMABJ-UHFFFAOYSA-N 310.180 4.401 0 40 DIAB Cc1ccc(C)c(OC(=O)c2ccc(Br)cc2)c1 363354 GLOCSQSEMIGTPM-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB Cc1cc(Cl)ccc1OCC(=O)N1CCCc2ccccc21 492008 IQESLUQPOJSMDJ-UHFFFAOYSA-N 315.800 4.007 0 40 DIAB COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 1396682 VCZBEOFVMCBSAS-UHFFFAOYSA-N 301.695 4.353 0 40 DIAB CC[C@H](C(=O)NCCc1c[nH]c2ccc(C)cc12)c1ccccc1 2205546 KAPDNUXJGFUHEW-SFHVURJKSA-N 320.436 4.329 0 40 DIAB Cc1ccc2c(c1)c1ncn(CCC3=CCCCC3)c(=O)c1n2C 2338511 MMNNGDAQHWQLNC-UHFFFAOYSA-N 321.424 4.087 0 40 DIAB CC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 3200565 VBIGMIPVNCPKTE-AWEZNQCLSA-N 322.360 4.125 0 40 DIAB CSc1ccccc1C(=O)Nc1nc(C(C)(C)C)cs1 4517389 INVBVSLPTZIAMU-UHFFFAOYSA-N 306.456 4.415 0 40 DIAB Cc1cccc(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4592192 VTARVZIHERIYKN-OAQYLSRUSA-N 316.356 4.446 0 40 DIAB CCC(=O)c1cc2c(cc1O)C[C@H](C(=O)CC)c1ccccc1-2 5700865 HMSDUFLOXJCEDI-INIZCTEOSA-N 308.377 4.271 0 40 DIAB CCCCN1C(=O)C(C)=C(C)[C@H]1Sc1ccc(OC)cc1 6592387 XQPNTFHLOBNXQI-QGZVFWFLSA-N 305.443 4.092 0 40 DIAB CCCNCc1cccc(OC)c1OCc1ccccc1Cl 7262408 VYLVAWWCZVDHPM-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB Cc1ccc(NC(=S)NCc2ccccc2C)cc1Cl 7390643 JKWREKGHBVCVKS-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(SC)c1 8048898 MDAMRMLVNBMNSD-HNNXBMFYSA-N 319.401 4.344 0 40 DIAB Cc1cc2sc3ncc(-c4ccccc4)c(=O)n3c2cc1C 8560160 ZZUXBNJEOAKPEG-UHFFFAOYSA-N 306.390 4.193 0 40 DIAB CCC[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1cccs1 12147323 HKSURNBGEOLNRP-AWEZNQCLSA-N 313.426 4.204 0 40 DIAB c1coc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 12338392 NAUNSWQUMHSGJM-UHFFFAOYSA-N 318.336 4.004 0 40 DIAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCc2ccccc21 12825035 KVHLISDRYQTFCX-SFHVURJKSA-N 313.828 4.119 0 40 DIAB O=C(Nc1nccs1)c1ccc(Oc2ccc(F)cc2)cc1 12862754 WYJFWSLVWKOTFJ-UHFFFAOYSA-N 314.341 4.327 0 40 DIAB Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1Cl 13001174 OKLVIJYXQSIAOG-KRWDZBQOSA-N 314.816 4.080 0 40 DIAB O=C(NC1CCCC1)c1ncoc1-c1ccccc1C(F)(F)F 13565447 BRAPFUZJQQCPTK-UHFFFAOYSA-N 324.302 4.033 0 40 DIAB O=C(NOCc1ccccc1)c1ccc(Oc2ccccc2)cc1 14601576 IKMWPGCSZAXQHJ-UHFFFAOYSA-N 319.360 4.341 0 40 DIAB N#Cc1ccsc1NC(=O)Cc1ccc(Cl)cc1Cl 14626665 UUAJAGACZBGSBH-UHFFFAOYSA-N 311.193 4.108 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1ccc2ncsc2c1 15315593 MSYBEGIZZJAFNG-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB O=C(NCCCOC1CCCCC1)Nc1cccc(Cl)c1 18177303 NKOUUQUQJANJPG-UHFFFAOYSA-N 310.825 4.201 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 18543900 IYQHFYGGBPFVDW-CQSZACIVSA-N 315.438 4.431 0 40 DIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccccc1F 26254677 UIKRXANNFNGVDB-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB COc1ccc(NC(=O)N[C@H](C)c2cc(C)sc2C)cc1 31662798 MUTVPGKSBQXISU-LLVKDONJSA-N 304.415 4.256 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 32611696 IPIYGGCRUXTXPQ-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB O=C(COc1ccccc1C(F)(F)F)c1c[nH]c2ccccc12 32854428 XLPCVFLBXKKKHQ-UHFFFAOYSA-N 319.282 4.448 0 40 DIAB Cc1cc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)on1 58246537 LWRKFKRJJMTWKP-CQSZACIVSA-N 305.403 4.098 0 40 DIAB Cc1cccc2c1ccn2CC(=O)Nc1cccc2[nH]ccc12 70666602 ISMMPQRFMVDJAM-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB biogenic CCCCN1CCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219286 KRQCJIKMNSACPN-SFHVURJKSA-N 301.478 4.317 0 40 DIAB Cc1cc2nc(-c3cncc(Br)c3)oc2cc1C 73636055 JDDMRSZBBNKSJH-UHFFFAOYSA-N 303.159 4.269 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1CSCc1ccccn1 79440899 HYZLBELBLJUXQY-HNNXBMFYSA-N 322.474 4.104 0 40 DIAB CC(C)CC(=O)Nc1cc(-c2ccc(Br)cc2)no1 80345533 WXBSVVUENMLMIU-UHFFFAOYSA-N 323.190 4.089 0 40 DIAB O=C(N1CCCc2ccccc21)C1(c2cccc(Cl)c2)CC1 84581939 PGYJRVKLBCJVAP-UHFFFAOYSA-N 311.812 4.351 0 40 DIAB COCCCCNc1ccc(Cl)cc1OCC(F)(F)F 89660566 ICDAMZURGSDAAI-UHFFFAOYSA-N 311.731 4.120 0 40 DIAB C[C@@H](c1ccncc1)N1CCC(N[C@H](C)c2ccsc2)CC1 90668036 XIZNDGOJCJZKHV-CABCVRRESA-N 315.486 4.019 0 40 DIAB CC(=O)Nc1cccc([C@@H](C)N[C@H]2CSc3ccccc32)c1 95419642 ULRGCDJWYHJUOE-PXAZEXFGSA-N 312.438 4.143 0 40 DIAB Cc1cc(Br)ccc1C(=O)c1cc(F)cc(F)c1 95916694 KMNBTZSPRJWMAD-UHFFFAOYSA-N 311.125 4.267 0 40 DIAB Cc1cc(C(=O)OCCCOC2CCCC2)c2ccccc2n1 96004162 BYPUMAYBXFKEEQ-UHFFFAOYSA-N 313.397 4.049 0 40 DIAB CCC(=O)NCC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100486649 IHTDNNSQYYKQEL-AMZMEHNNSA-N 311.469 4.359 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(F)c1 113954218 KPPWBZZHKFIPOM-AWEZNQCLSA-N 307.752 4.275 0 40 DIAB C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 118930969 FDGQIVOIHOIMNK-JLGUAMPRSA-N 304.474 4.205 0 40 DIAB Cc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(C)c1 223249892 FNZLEOSRRCCYCH-MRXNPFEDSA-N 307.437 4.212 0 40 DIAB CCc1cnccc1-c1noc([C@H](CC)Cc2ccccc2)n1 547147826 BJFWNVKFOWNFQZ-OAHLLOKOSA-N 307.397 4.430 0 40 DIAB c1cc2sc(N3CCC(c4ccsc4)CC3)nc2cn1 1775970298 ANXKMIDQQPXEON-UHFFFAOYSA-N 301.440 4.137 0 40 DIAB Cc1nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2s1 780564 XPEQBTRLWGLTCH-LLVKDONJSA-N 308.406 4.196 0 40 DIAB CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 2752407 UUSDTUYTQCRMHS-SHQCLWGWSA-N 322.246 4.253 0 40 DIAB Cc1sc(NC(=O)c2ccco2)c(CN2CCCCC2)c1C 4257933 GXKIHWMMQAFNLJ-UHFFFAOYSA-N 318.442 4.196 0 40 DIAB CCCCCC[C@@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1 4696210 OQCWOPABOFCUMX-HFBDAHEESA-N 319.445 4.192 0 40 DIAB CCCCc1noc(-c2ccc(OC(=O)c3ccccc3)cc2)n1 4906813 AEJHLFAOVRAAMO-UHFFFAOYSA-N 322.364 4.298 0 40 DIAB O=C1O[C@@H]2[C@H]3c4ccccc4[C@H](c4c3ccc3ccccc43)[C@H]2O1 5062765 CALDUTDXAKUVKJ-MTQWCTHYSA-N 314.340 4.335 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 5515536 YKOXBOBPCKNGSW-JTQLQIEISA-N 310.180 4.399 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc2ncccc12 5937613 NAIWYDJZRKFJEN-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1F 6284664 YSAGEPVCHDIXQG-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Clc1ccc(CSc2nnc3[nH]c4ccccc4n23)cc1 6506955 QYPILBJGOGPKKB-UHFFFAOYSA-N 314.801 4.156 0 40 DIAB C[C@H]1C[C@@H](C)CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016279 LJPZRZPBKPEFGG-CALCHBBNSA-N 322.452 4.417 0 40 DIAB CCN(CC)C(=S)SCc1ncc(-c2ccccc2)o1 7780535 UGYOXUPYJYNEJU-UHFFFAOYSA-N 306.456 4.202 0 40 DIAB Cc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 8371548 OMESKXFTIOXYJP-RUCSPORFSA-N 302.443 4.084 0 40 DIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccoc1 10552357 HRENUDIMPMVSEX-UHFFFAOYSA-N 310.378 4.144 0 40 DIAB CN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2o1 12750659 AGKIVOAMTOHRPB-UHFFFAOYSA-N 320.270 4.123 0 40 DIAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cn1 12916366 WFXNYYDBCAPNGE-HXUWFJFHSA-N 316.404 4.104 0 40 DIAB COc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl 12998175 QRISUKBYVSLUDK-UHFFFAOYSA-N 301.773 4.090 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)c1 14255370 PQRBVCWNOZFXNI-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB COc1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 16505700 QZEHRBCMUIFGIN-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccccc1 20483433 WBBWQUAWWBJRGI-GOSISDBHSA-N 311.425 4.258 0 40 DIAB O=C(OCc1sc2ccccc2c1Cl)c1ccccn1 21837699 KPQFUHLCPWXOAU-UHFFFAOYSA-N 303.770 4.307 0 40 DIAB CCSc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 22508671 UDUYNICIWQVKPC-JLHYYAGUSA-N 313.422 4.459 0 40 DIAB CN(C)Cc1ccccc1NC(=O)c1cccc(Cl)c1Cl 24809344 FAARIQLTJOUDIM-UHFFFAOYSA-N 323.223 4.307 0 40 DIAB Cc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)n1 25864602 WWNGDESCFBVZAV-UHFFFAOYSA-N 309.413 4.023 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C)c(C)c2)cc1 28730389 FBRJFKHXIVJVDO-INIZCTEOSA-N 311.425 4.122 0 40 DIAB COc1ccc(NC(=O)N[C@@H](C)c2cc(C)sc2C)cc1 31662796 MUTVPGKSBQXISU-NSHDSACASA-N 304.415 4.256 0 40 DIAB O=C(/C=C/c1ccco1)NCc1ccc(-c2ccc(F)cc2)o1 32753603 YRCIOPQRFFWSQL-CSKARUKUSA-N 311.312 4.008 0 40 DIAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1cccc(Cl)c1 32913902 FDHHURJGBJIKJB-KGLIPLIRSA-N 317.816 4.123 0 40 DIAB CCCCc1nnc(NC(=O)c2cc(C)c(CC)s2)s1 36691627 GDUYVRMMSSWDHD-UHFFFAOYSA-N 309.460 4.065 0 40 DIAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CC3)ccc2o1 41291220 SPWXMZWCUWYVLU-UHFFFAOYSA-N 319.360 4.117 0 40 DIAB CC[C@@H](CNC(=O)c1ccc(OC)c(Cl)c1)c1ccccc1 61997275 FCZCKGYYZLCENN-ZDUSSCGKSA-N 317.816 4.272 0 40 DIAB Cn1cc(CCC(=O)Nc2cccc3[nH]ccc23)c2ccccc21 79189191 HZHCCGJIQIHQMI-UHFFFAOYSA-N 317.392 4.231 0 40 DIAB biogenic CCC(=O)Nc1ccc(NC(=O)N2[C@@H](CC)CC[C@H]2C)cc1C 95459126 IQBAJFGSGWHSJZ-HIFRSBDPSA-N 317.433 4.138 0 40 DIAB COCC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccc(C)o1 95994215 LJDVVHHUNCLYEZ-YQQAZPJKSA-N 319.445 4.020 0 40 DIAB COc1ccccc1/C=C/C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 100744177 YGLPYFAKQFPPQD-AUNGOPJYSA-N 313.441 4.136 0 40 DIAB biogenic Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C)ccc1Cl 113969141 RPHDZWSRUMERNP-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB Cc1ccccc1CSCC(=O)NCCSC1CCCC1 223075381 SVKIVDAZGLVMJU-UHFFFAOYSA-N 323.527 4.020 0 40 DIAB Cc1ccccc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408558984 WWFCAJNZQZJTJI-MRXNPFEDSA-N 303.814 4.427 0 40 DIAB CCc1ccc(-n2c(C)nnc2SCCc2ccccc2)cc1 409101052 PAOZPTQNWNNOCK-UHFFFAOYSA-N 323.465 4.473 0 40 DIAB Fc1ccc(Nc2cc(C3CCOCC3)nc(C3CC3)n2)cc1 1888876426 JTEIYDDDZYDFGG-UHFFFAOYSA-N 313.376 4.131 0 40 DIAB CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 38438 ZJFQWUYRACZEHP-NSHDSACASA-N 316.228 4.019 0 40 DIAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1 509292 CXVQOUYIAXHHHX-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB O[C@@H](c1ccccc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 1651974 UIPDCTGNHUMGGW-VQTJNVASSA-N 324.807 4.310 0 40 DIAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 3423108 JRWJAMVXRRIWJH-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB C(=C/c1nc(N2CCCC2)c2ccccc2n1)\c1ccccc1 4188207 LXCHXBMLVWLBGA-OUKQBFOZSA-N 301.393 4.400 0 40 DIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C1CCC1 5171490 MNEVMHDOVNFRNT-UHFFFAOYSA-N 306.818 4.126 0 40 DIAB COc1ccc(CCN[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1OC 5412180 NFFKFPDZEUOKMC-ZTNFWEORSA-N 317.473 4.051 0 40 DIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1Cl 5612488 GYYPSIYUYWTWFP-UHFFFAOYSA-N 321.823 4.425 0 40 DIAB O=C(NC1CC1)c1cc(-c2ccccc2Cl)nc2ccccc12 6342195 YBQCZFFAPSKMLU-UHFFFAOYSA-N 322.795 4.447 0 40 DIAB O=C(CN1c2ccccc2Sc2ccccc21)N1CCCCC1 6508244 IFBBGCYVKQZZOF-UHFFFAOYSA-N 324.449 4.302 0 40 DIAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1 6547576 UDNOZGQMJLQJGB-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=c1[nH]c(/C=C/c2ccccc2C(F)(F)F)nc2ccccc12 6909206 DPGBURIEOAWIRB-MDZDMXLPSA-N 316.282 4.112 0 40 DIAB Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 9577433 CVLZUNDMPSAWDB-ZDUSSCGKSA-N 302.805 4.209 0 40 DIAB Cc1ccc2[nH]c(CN(C)[C@@H](C)Cc3ccccn3)c(C)c2c1 12148194 VPDURSJMXGWGLG-HNNXBMFYSA-N 307.441 4.243 0 40 DIAB Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 12679018 DMSUQMWEYKZPOX-KXBFYZLASA-N 308.425 4.063 0 40 DIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(Cl)c1 12800697 ZUKSHJGIUJTQQJ-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB C[C@H]1CCc2nc(NC(=O)CCCc3cccs3)sc2C1 12818218 PYCKDHFYRHLWIL-NSHDSACASA-N 320.483 4.291 0 40 DIAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccoc2)c1 12986036 ORXULYAEQIHWEK-UHFFFAOYSA-N 321.336 4.176 0 40 DIAB C[C@@H](NC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl 13004122 YYGWRRVEBRALCZ-SECBINFHSA-N 313.184 4.147 0 40 DIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(C(C)C)cc1 13265238 WHHLKJUYMQCJMR-FXAWDEMLSA-N 307.441 4.170 0 40 DIAB CCCCC(=O)Nc1nn(CCC)c2nc3cc(C)ccc3cc12 16956699 AKYNDFHURQQPSG-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB Cc1cccc(NC(=O)NCCSCc2ccccc2)c1 18173958 GRTMFIWJDJQAAL-UHFFFAOYSA-N 300.427 4.050 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1C 20462677 DLDQXKLUPSPYEV-KRWDZBQOSA-N 301.361 4.239 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCCc2ccccc21 22913727 YOWUNGVLXCDLGT-UHFFFAOYSA-N 318.376 4.243 0 40 DIAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)c1 25958131 KPSOFRPNVYETJU-CQSZACIVSA-N 317.379 4.392 0 40 DIAB C[C@@H](Sc1ncc2ccccn12)C(=O)c1ccc2c(c1)CCC2 26371391 BKUGYLVDRLFBFL-CYBMUJFWSA-N 322.433 4.187 0 40 DIAB Cc1cccc(CNC(=O)COc2cc(C)ccc2C(C)C)c1 26885068 RAXDBSMEYKBDJI-UHFFFAOYSA-N 311.425 4.122 0 40 DIAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2F)c(C)c1 43143388 TUWDWMSVJNBRAN-GFCCVEGCSA-N 304.340 4.464 0 40 DIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccs1 44869414 AFCCGRRJCAHQML-SNVBAGLBSA-N 302.424 4.191 0 40 DIAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1OCC 66280578 KVLKFFTXCKAAQN-UHFFFAOYSA-N 321.323 4.015 0 40 DIAB Cc1cccc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 72369824 DFHAPSPYMYCGNI-GOSISDBHSA-N 319.408 4.035 0 40 DIAB Cc1csc(C(C)(C)NCc2ncc(-c3ccccc3)o2)n1 72663156 DKCWQDADFAZGCL-UHFFFAOYSA-N 313.426 4.131 0 40 DIAB CC(=O)c1c(-c2ccccc2)c2ccccc2n(C(C)C)c1=O 95116045 JMMJFTULAOWSEE-UHFFFAOYSA-N 305.377 4.452 0 40 DIAB C[C@H]1CCC[C@]2(C1)NC(=S)c1c(sc3c1C[C@H](C)CC3)N2 95117525 BRBYVAZQXIYOLV-RLFDGXBXSA-N 320.527 4.470 0 40 DIAB FC(F)(F)c1ccc(NCc2nnc(C3CC3)o2)c(Cl)c1 95409860 QKCOSMIZAGTMEZ-UHFFFAOYSA-N 317.698 4.231 0 40 DIAB CSc1cccc(C(=O)c2ccccc2Br)c1 95917197 YZINFMCPLAGMPR-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)c2nc3ccccc3s2)cn1 96013713 GAAMMSXYNRGXCY-LXKVQUBZSA-N 324.405 4.317 0 40 DIAB C[C@@H](SCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 97151269 PTFSEZLQMGCWPG-CYBMUJFWSA-N 315.413 4.037 0 40 DIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(C(C)C)cc1 100189064 WHHLKJUYMQCJMR-YLJYHZDGSA-N 307.441 4.170 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccccc1 223265325 TZFLXCOVHCGAJS-HZPDHXFCSA-N 323.436 4.210 0 40 DIAB Cc1ccc(S[C@@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225029460 MSICHEQSOCSZHM-KRWDZBQOSA-N 300.423 4.400 0 40 DIAB CN(C(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1Cl 252502985 UWJZXFCIRHKZGQ-UHFFFAOYSA-N 314.694 4.030 0 40 DIAB CC(C)(CCl)C(=O)c1c(F)cc(Br)cc1F 381026317 YBFURZFLCLOFRK-UHFFFAOYSA-N 311.553 4.175 0 40 DIAB CC[C@@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCC2 2442252 WMAJCZDQNGXZKD-CYBMUJFWSA-N 320.440 4.404 0 40 DIAB CSCc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 3438710 HZMQYWILCQJTQO-UHFFFAOYSA-N 319.857 4.176 0 40 DIAB Oc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@@H](C2)N(Cc1ccoc1)CC3 3643573 RDALYHSEPOUIRE-NRSPTQNISA-N 323.436 4.244 0 40 DIAB O=C(O)/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 4105225 ZDEHRRBYIHAIMA-RMKNXTFCSA-N 322.282 4.382 0 40 DIAB O=C(Nc1ncnc2sccc12)c1ccc2ccccc2c1 5299465 XLMGRLIHCHBVAF-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB Cc1[nH]c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2c1C 6810093 UPIMDELYNUBVPO-UHFFFAOYSA-N 311.360 4.246 0 40 DIAB COc1ccc(/C=C(\Cl)c2nc3ccccc3o2)cc1O 7914497 XOUZIGRWTKJCBI-FLIBITNWSA-N 301.729 4.279 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)cc(C)c1 8479426 WMMKDMUGDLXRDB-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB O=C(c1cccs1)N(Cc1cccs1)c1ccccn1 11916550 PMNPIRGUMPCCTH-UHFFFAOYSA-N 300.408 4.052 0 40 DIAB Sc1nc(-c2ccccc2)nc2ccc(Br)cc12 13686518 MPQVNCZRQOTUDJ-UHFFFAOYSA-N 317.211 4.348 0 40 DIAB Cc1cc(COC(=O)c2ccccc2Nc2ccccc2)no1 16211268 NSUSJJKZUJMTLT-UHFFFAOYSA-N 308.337 4.084 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)cc1 19931793 SHEFCKLDKNKYGR-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C)ccc1OC 20485431 BFHTUWGUMBJWJT-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@@H](c2ccccc2)CC3=O)c1 20632795 CLYDGDKYRQDOHS-MRXNPFEDSA-N 302.377 4.093 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1Cl 22523451 QXYVCNKMDQSXEV-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB Cc1cccc(-n2ccnc2SCC(=O)c2ccccc2)c1 26046248 YLXDCUYFKSLEIL-UHFFFAOYSA-N 308.406 4.156 0 40 DIAB Cc1nn(-c2ccc(NC(=O)C3CCCC3)cc2)c(C)c1Cl 27925104 DLXNKDUGZDKZKK-UHFFFAOYSA-N 317.820 4.271 0 40 DIAB Cc1ccc(-c2nc(C(=O)Nc3nc(C)c(C)s3)cs2)o1 31227905 WQXVANQQIAQBRT-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB CCSc1ccccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 38678593 ILRPCBTWJICANR-UHFFFAOYSA-N 323.421 4.441 0 40 DIAB CCCc1ccc([C@H](O)c2ccccc2Br)cc1 40255779 YSWSETUYGBUBKZ-INIZCTEOSA-N 305.215 4.483 0 40 DIAB CSc1ccc(C(=O)c2ccccc2Br)cc1 43210233 KEOVUBRJPDZRAX-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB CC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1 43729787 AEGOWUBIDKGRDB-SFHVURJKSA-N 322.408 4.167 0 40 DIAB O=C(O)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923322 WHNDZZIJUIBPBS-UHFFFAOYSA-N 307.733 4.454 0 40 DIAB C[C@H](c1cccc(-c2nccc(C(F)(F)F)n2)c1)N1CCCC1 65500173 NDMMOHBDSZSHLR-GFCCVEGCSA-N 321.346 4.319 0 40 DIAB CC(=O)N(C)c1ccc(N[C@H](C)c2c(F)cccc2F)cc1 71902622 QJPGYYGANLCYNJ-LLVKDONJSA-N 304.340 4.121 0 40 DIAB CC(C)[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1 95437379 LMPVAGMMIDOACK-INIZCTEOSA-N 324.346 4.309 0 40 DIAB CCC1(OC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C2CC3CC(C2)CC1C3 100078214 WDKWRJUAIFFOII-JZAWVGGASA-N 300.442 4.347 0 40 DIAB Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1C 100530346 ZCGNSWYINYFWDO-UHFFFAOYSA-N 322.389 4.411 0 40 DIAB CCSc1ccccc1C(=O)NCCCc1ccc(C)cc1 219646694 KAMXCIVROHQZPK-UHFFFAOYSA-N 313.466 4.470 0 40 DIAB Cc1ccc(CSCC(=O)NC[C@@H](C)c2ccccc2)cc1 223399470 IAYSFAXPZYEMLU-MRXNPFEDSA-N 313.466 4.148 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)c1ccccc1 224619309 RNYGTSZCGJGVTA-VQIMIIECSA-N 311.425 4.072 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225701452 IONYQXINHWJOGW-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](O)CC[C@@H]3[C@@H]12 245240207 OTTDRBNUMLADAX-SAXKJHTBSA-N 304.474 4.205 0 40 DIAB O=C(NC(=S)c1cccc2ccccc12)Nc1ccccc1F 408732439 RKVJFIDKWBRDCJ-UHFFFAOYSA-N 324.380 4.476 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 172581 BPVODZZDDZNVRX-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1C 311608 YAAOGWRNCVNBRT-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB biogenic CCC[C@H](NC(=O)c1ccccc1C)c1nc2ccccc2[nH]1 544832 MVABJVCWQSCXSK-KRWDZBQOSA-N 307.397 4.143 0 40 DIAB COc1ccc(-c2csc3ncnc(Cl)c23)cc1OC 546442 RFWFLEDZTZKMOI-UHFFFAOYSA-N 306.774 4.029 0 40 DIAB O=C(Nc1ncccc1OCc1ccccc1)C1CCCCC1 1017441 UAHCNIWJGGHEOR-UHFFFAOYSA-N 310.397 4.179 0 40 DIAB CCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@](C)(O)CC1(C)C 2274468 BHAOHUCBBLUQGU-KRWDZBQOSA-N 324.852 4.259 0 40 DIAB Cc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1 5570955 NTWYNVZAEAJJPV-UHFFFAOYSA-N 324.405 4.489 0 40 DIAB O=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2n1 6820595 NGHPFFZNDYPKNE-UHFFFAOYSA-N 317.392 4.087 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCc1ccc(F)cc1 6882541 YGXAZRIKWXOLMQ-UHFFFAOYSA-N 317.404 4.301 0 40 DIAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 7016201 GTHTWTQDRSQZOE-INIZCTEOSA-N 308.425 4.171 0 40 DIAB CSc1ccc(NC(=O)CCC(=O)c2cccs2)cc1 8023511 GUYKPGAZGDOUGH-UHFFFAOYSA-N 305.424 4.072 0 40 DIAB c1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 8036531 DXBOVOOPHXJJIH-AWEZNQCLSA-N 311.410 4.135 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 9368181 MVJSMEHGNQNKDU-YEWDVWPNSA-N 310.397 4.380 0 40 DIAB Cc1ccccc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 9723760 NTGLKJXUSFYAQP-AWEZNQCLSA-N 323.392 4.011 0 40 DIAB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1 9754294 CECVOZOHLKGJQO-LPHOPBHVSA-N 311.425 4.358 0 40 DIAB Cc1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1C 11693148 XZBUISGLFUORLW-UHFFFAOYSA-N 324.355 4.279 0 40 DIAB CCc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1 12016923 HHIVPJXKMSJRQG-UHFFFAOYSA-N 314.454 4.007 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccc1 12975690 KYZGZSMHHNQCOA-UHFFFAOYSA-N 305.377 4.196 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc2ccccc2c1 13169641 AJXGNHCJRDXTRJ-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 13186972 PQZZQDKOMKRSJZ-UHFFFAOYSA-N 317.772 4.414 0 40 DIAB CC(C)(C)c1ccccc1NC(=O)c1cnc2ccccc2n1 21888797 HMMWKDMQQWXWFK-UHFFFAOYSA-N 305.381 4.180 0 40 DIAB O=c1c2c(-c3ccccc3)ccnc2ccn1Cc1ccccc1 22606999 RKZWQNFPUMQUGD-UHFFFAOYSA-N 312.372 4.112 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1cccs1 23435179 UZCZZMODEFTARD-CYBMUJFWSA-N 303.427 4.128 0 40 DIAB O=C(COc1ccc2ccccc2c1)N(Cc1ccco1)C1CC1 29010137 RWNXYMVWCAQUEQ-UHFFFAOYSA-N 321.376 4.003 0 40 DIAB Cc1cccc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1C 32611699 WPWYJNRSDPVQAM-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC[C@H](CNC(=O)c1cc2ccc(OC)cc2[nH]1)c1ccccc1 32760067 QOBIPJYMPVBCJA-CQSZACIVSA-N 322.408 4.100 0 40 DIAB Cc1ccc2oc(-c3ccc(Cl)c(NC(N)=S)c3)nc2c1 45887313 MJCXQWWBKMDMIK-UHFFFAOYSA-N 317.801 4.112 0 40 DIAB COc1cccc(NC(=O)Nc2ccccc2OC(C)C)c1 56322501 NZZZCBFIDCGHMR-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB S=C(NCc1cccs1)N1CCCSc2ccccc21 58954260 RVUVKIDYUYCSHO-UHFFFAOYSA-N 320.508 4.125 0 40 DIAB CCC[C@H](CC1(C(=O)O)CCCC1)C(=O)OCc1ccccc1 59896308 PQKUDTSQPVEIQW-MRXNPFEDSA-N 318.413 4.181 0 40 DIAB COc1ccc([C@@H]2SCC(O)=Nc3ccsc32)cc1OC 71282547 JNZISFBIPITGMY-AWEZNQCLSA-N 321.423 4.190 0 40 DIAB Cc1ccc2oc(NCCCc3nc4ccccc4n3C)nc2c1 72307706 PLNXVPMVDCYKFY-UHFFFAOYSA-N 320.396 4.068 0 40 DIAB CONC(=O)c1ccc(N[C@H](C)c2cc(C)ccc2C)c(C)c1 77612808 UBCPDAZNPDICSS-OAHLLOKOSA-N 312.413 4.076 0 40 DIAB Cc1cc2c(N3CCC[C@@H](Nc4ccccc4)C3)ncnc2s1 90111887 LHYWRQDWNASNLL-OAHLLOKOSA-N 324.453 4.081 0 40 DIAB O=C(O)c1nc(/C=C/c2cccc(O)c2)sc1-c1ccccc1 95468060 FIKQVVKPIXFLTG-MDZDMXLPSA-N 323.373 4.384 0 40 DIAB CC(=O)c1csc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1 95973286 ICDWDSFDQXDPQG-MEDUHNTESA-N 313.422 4.319 0 40 DIAB Cc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)cc1 96170836 CZSMXMGBSCYIEK-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB Cc1csc(C2(N[C@@H](C)CCc3ccccc3)CCC2)n1 97212478 CIDFVFQIDFCUBE-AWEZNQCLSA-N 300.471 4.442 0 40 DIAB CCO[C@@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 116390217 WQMYKBGTTBVBQN-SFHVURJKSA-N 314.381 4.126 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2ccc(F)cc2C(C)=CC1(C)C 223211371 NXSFEUSTYRPQDL-INIZCTEOSA-N 305.393 4.025 0 40 DIAB CCCCOCc1cc(C(=O)N2CCCCCC2)ccc1OC 224440705 LOCNDXZFMHAOLG-UHFFFAOYSA-N 319.445 4.028 0 40 DIAB Cc1ccc(SCCNC(=O)Cc2cccc(Cl)c2)cc1 225787373 OMORMPXUSMHINT-UHFFFAOYSA-N 319.857 4.099 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 408681794 SWLJCEWEQATUMF-INIZCTEOSA-N 301.430 4.077 0 40 DIAB Cc1nc(O)oc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1560410722 HMEWKHNHYCWRMT-UHFFFAOYSA-N 311.181 4.393 0 40 DIAB Cc1ccccc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)O 191310 JDRFZFUGKKFYLO-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccs1 383644 JNDHGMUVEKGLIA-UHFFFAOYSA-N 324.357 4.187 0 40 DIAB Cc1cccc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)c1 385015 RYTGTWMKKGPXBY-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB C[C@@H]1CCCCN1P(c1ccccc1)N1CCCC[C@H]1C 1737478 IXYQVEWDGLGTQK-IAGOWNOFSA-N 304.418 4.373 0 40 DIAB O=C(Oc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F 1805424 MSLJQSYDVWVIFR-UHFFFAOYSA-N 322.616 4.255 0 40 DIAB O=c1c(Cl)c(Sc2ccccc2)cnn1-c1ccccc1 3566527 ZTPQRDXJYXUWBM-UHFFFAOYSA-N 314.797 4.037 0 40 DIAB O=C(Oc1ccc(/C=C\Br)cc1)c1ccccc1 4671332 NQXZAEQCKHRBRU-KHPPLWFESA-N 303.155 4.271 0 40 DIAB CCCC(=O)N[C@@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 4774812 GZJBFSXBJAEHTR-GFCCVEGCSA-N 323.651 4.020 0 40 DIAB CCCCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7261053 MQAMIMGFJYJKMW-UHFFFAOYSA-N 315.413 4.403 0 40 DIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C[C@](C)(O)C[C@@H]12 8616506 BKFNLZHVRLYWBD-JAZQRGJZSA-N 300.442 4.302 0 40 DIAB CCCCCC(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732884 HBRVOJLRZOVJGK-UHFFFAOYSA-N 309.431 4.161 0 40 DIAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736703 DSILUGRZXKRXMC-LLVKDONJSA-N 318.804 4.352 0 40 DIAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccccc1Cl 23996824 VMDSBEFTUWUUOZ-GOSISDBHSA-N 322.795 4.254 0 40 DIAB Cc1cc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)C1CC1 25879912 VPEGOEHYVVJRLY-NRFANRHFSA-N 318.420 4.217 0 40 DIAB CC(C)(C)c1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210419 DNIFJDZSAZWLRE-UHFFFAOYSA-N 316.422 4.322 0 40 DIAB Cc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45888480 LJJVOHBAKXBYAR-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB Clc1ccc([C@@H]2CN(c3nc4ccccc4o3)CCO2)cc1 52489745 CKLIZSMUHPPSIZ-INIZCTEOSA-N 314.772 4.059 0 40 DIAB Cc1nc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cs1 64677371 MFAOMXYGODRBOE-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](C(F)(F)F)S1 71286920 FLXBQXZYLMFCBN-SNVBAGLBSA-N 319.352 4.494 0 40 DIAB Clc1ccc(C2(NCc3nnc(C4CCC4)o3)CCC2)cc1 71910666 BXKRNCVBTSQVLY-UHFFFAOYSA-N 317.820 4.160 0 40 DIAB CC(=O)CCC(C)(C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 84651743 SRIBLHSJSRYPBG-HNNXBMFYSA-N 315.457 4.138 0 40 DIAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1CCc1ccccc1 100099143 ZBOJBBVVBRWXGZ-QFUCXCTJSA-N 319.448 4.390 0 40 DIAB C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1[Si](C)(C)C 219793457 GHTGYOGNEFEWPU-LBPRGKRZSA-N 316.448 4.226 0 40 DIAB CCC(CC)NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223341784 LKFDKRMFBSIPIB-SFHVURJKSA-N 303.446 4.028 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)NC1CCCCC1 225342999 KMSZXQPELMDCOB-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB CC1=CCC[C@@H]2[C@@H](C=C(C)CC1)OC(=O)[C@@H]2CN1CCCCC1 254306852 BYFVAWVWHDPHGP-IPMKNSEASA-N 317.473 4.097 0 40 DIAB biogenic Cc1cc2cnc(C)n2c([C@H]2CCCCN2Cc2ccccc2)n1 257205505 AZJSBSKVLWNDTI-LJQANCHMSA-N 320.440 4.073 0 40 DIAB Cc1c(C(=O)COCc2ccccc2)cccc1C(F)(F)F 382725599 PXUFHQZKZPEPPG-UHFFFAOYSA-N 308.299 4.413 0 40 DIAB O=C(CCCOc1ccccc1)NCCSC1CCCCC1 408706188 WVQQUKCGQJKBTP-UHFFFAOYSA-N 321.486 4.028 0 40 DIAB Cc1nnc(SCCc2ccccc2)n1-c1ccc(F)cc1 409101634 PZJDLCPHTNFHGI-UHFFFAOYSA-N 313.401 4.050 0 40 DIAB Cc1ccccc1CN1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975216 CKBAQJAEJXSIIF-IRXDYDNUSA-N 315.848 4.213 0 40 DIAB CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 515933 HMXKQQIPTHGGJI-UHFFFAOYSA-N 312.316 4.075 0 40 DIAB CC(C)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 559561 FHYLMCKPSRFGRQ-UHFFFAOYSA-N 305.805 4.482 0 40 DIAB Cc1cc(N(C)c2ccccc2)nc(N(C)c2ccccc2)n1 1639227 IEFKOZLYAHNUIZ-UHFFFAOYSA-N 304.397 4.321 0 40 DIAB Cc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1C 1926892 HBCLCZMAJSZRCK-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB Cc1cc(C)cc(-c2nnc3sc(-c4cccs4)nn23)c1 2183268 RWFGYYHWJSDPPM-UHFFFAOYSA-N 312.423 4.198 0 40 DIAB CCCCCCOc1ccc(C(=O)CCC(=O)OCC)cc1 2580402 MFNFDDBUNDAQDC-UHFFFAOYSA-N 306.402 4.172 0 40 DIAB O[C@H]1CCCc2c1nc1ccccc1c2NCc1ccccc1 4293812 OWMPJXBRNFEZDD-SFHVURJKSA-N 304.393 4.217 0 40 DIAB Cc1ccccc1-n1c(SC(C)C)nnc1-c1ccncc1 6334740 JEAMMAYDBMPTKE-UHFFFAOYSA-N 310.426 4.138 0 40 DIAB Cc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 6339580 FKGMBFPGYSQMBD-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21 7115056 NHNAJNSQGUVKAB-CQSZACIVSA-N 304.393 4.192 0 40 DIAB CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 7176718 DEOHHYYSDRQMJW-LBPRGKRZSA-N 320.483 4.063 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCC2 7888875 XZVQDOLQVKJOMB-UHFFFAOYSA-N 301.773 4.090 0 40 DIAB O=C(/C=C/c1sc2ccccc2c1Cl)NCc1ccco1 7910681 GDIWYXNXNMYWEN-BQYQJAHWSA-N 317.797 4.477 0 40 DIAB Cc1ccc2nc(-c3cccc(NC(=O)C(F)(F)F)c3)oc2c1 8053954 SUJLICMFNMMVDB-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CCC[C@H](C)C(=O)Nc1nnc(CCCc2ccccc2)s1 9355803 QGIRYSJLNFJJBS-ZDUSSCGKSA-N 317.458 4.088 0 40 DIAB CCCCCc1c(C)[nH]c2c(-c3ccccc3)c(C)nn2c1=O 9698351 DCNITHADNMKMHA-UHFFFAOYSA-N 309.413 4.039 0 40 DIAB CCCCN1C(=O)C2=C(CCCC2)[C@@H]1N[C@@H]1CCC[C@H](C)[C@@H]1C 9762094 LXUSKGIXOLRPLI-ILRDRHFLSA-N 318.505 4.240 0 40 DIAB Cc1cccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 15310111 UVLHJJBBKHXQLK-LJQANCHMSA-N 323.436 4.493 0 40 DIAB Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=O)CCC2 16740305 QLVGSIAGKCBPHH-UHFFFAOYSA-N 303.745 4.013 0 40 DIAB O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1ccco1 40153373 VUZPXUONQPKUKS-UHFFFAOYSA-N 320.304 4.465 0 40 DIAB C[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 47906754 PUKHSQYBHHTOKI-LBPRGKRZSA-N 320.339 4.213 0 40 DIAB Cc1nc2ccc(NC(=O)Cn3c(C)cc4ccccc43)cc2o1 58381323 BYGJWWDNWQAGHA-UHFFFAOYSA-N 319.364 4.038 0 40 DIAB CCCCOc1ccccc1/C=C/C(=O)Nc1ccc(O)cc1 62714958 LJOLCMIVQDFRFZ-MDWZMJQESA-N 311.381 4.223 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 72215195 UZFOCZRKEFAVNH-UKRRQHHQSA-N 319.449 4.046 0 40 DIAB CC(C)[C@H](O)c1ccccc1NC(=O)c1cc2ccccc2n1C 95451298 DYDDUZVVRPGXQS-IBGZPJMESA-N 322.408 4.120 0 40 DIAB C[C@H](N[C@@H]1CCCC[C@]1(O)C#Cc1ccccc1)c1ccccc1 95951409 AARQIPNIUYKDTQ-BWAGFHJFSA-N 319.448 4.063 0 40 DIAB C[C@H](NCc1csc(-c2ccccn2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108058359 BRMCZKBPVDKMGT-RZLSGREXSA-N 313.470 4.119 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 113954147 PWUJIRSNJLOJOP-CQSZACIVSA-N 315.388 4.033 0 40 DIAB COc1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1OC 148162844 JCKZVYYYOQEVTR-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(Cl)c1 225624729 BZCCHXWRQCYMBS-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)c(C)n2)cc1 257173239 HJNNFVQXLBNLLN-OAHLLOKOSA-N 308.425 4.238 0 40 DIAB COc1ccccc1NC(=O)N1CCc2sc(Cl)cc2C1 570926129 UUUKOCOHQAYDDZ-UHFFFAOYSA-N 322.817 4.000 0 40 DIAB CO[C@@H]1CCN(C2CCCCC2)C[C@H]1Cc1ccc(F)cc1 1615140179 DEXUCXMNZQUYLY-VQIMIIECSA-N 305.437 4.038 0 40 DIAB O=C(c1ccccc1C(F)(F)F)N1CCC(=C2CCC2)CC1 1775967153 HJQGNBBQBXDTHL-UHFFFAOYSA-N 309.331 4.422 0 40 DIAB CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 86856 SFNQOGDRQDZZFF-UHFFFAOYSA-N 310.397 4.284 0 40 DIAB Cc1cccc(C(=O)Nc2scc(CC(C)C)c2C(=O)O)c1 227478 JBMZFEUXARNHIT-UHFFFAOYSA-N 317.410 4.206 0 40 DIAB O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2)CCC4)CCC3 1855384 KLAMYRDGUZSBQO-UHFFFAOYSA-N 314.428 4.188 0 40 DIAB CCCC[C@@H](CC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 2750152 PDYJEIDEPSKHKB-OAHLLOKOSA-N 322.880 4.205 0 40 DIAB O=C(Nc1ccc(F)cc1)[C@@H](NC1CCCC1)c1ccccc1 3330403 CWNSKOREBJHEAL-SFHVURJKSA-N 312.388 4.038 0 40 DIAB O=C(NCCc1ccccc1)c1ccccc1Nc1ccccc1 3451934 XAXMZYRYPRBEFQ-UHFFFAOYSA-N 316.404 4.403 0 40 DIAB Cc1ccc2[nH]c(C(=O)N[C@H](C)CCc3ccccc3)cc2c1 4696046 NZXYBJPKEQLGOB-OAHLLOKOSA-N 306.409 4.227 0 40 DIAB CCCCOc1ccccc1Cn1c(=O)sc2ccccc21 5014111 NHCGYZFKPZYTDY-UHFFFAOYSA-N 313.422 4.290 0 40 DIAB CCCCN(CCCC)CCCNC(=O)c1cccc(Cl)c1 5615303 BBZCUPRUFUNTEL-UHFFFAOYSA-N 324.896 4.362 0 40 DIAB CC[C@@H](C)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1 5655466 DSAWCNBXSKDHII-CQSZACIVSA-N 313.397 4.232 0 40 DIAB Cn1c(SCc2cccc(F)c2)nnc1-c1ccccc1F 7235688 KXEXYJZHJBCMMV-UHFFFAOYSA-N 317.364 4.053 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(Cl)cc1 7608674 OITWHIBCKVYSPO-GFCCVEGCSA-N 305.830 4.137 0 40 DIAB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1 7792599 RZOGBWVAFPDVRH-IBGZPJMESA-N 311.425 4.258 0 40 DIAB CCc1ccc([C@H](NC(=O)COc2ccccc2)C(C)C)cc1 8062711 LAHVCJQWKWYNPJ-HXUWFJFHSA-N 311.425 4.141 0 40 DIAB COc1cc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1C 8705107 MXEOOJDYTMFZBY-AWEZNQCLSA-N 323.392 4.170 0 40 DIAB CSCc1cccc(C(=O)Nc2cccc3cccnc23)c1 8936419 RGCCMSRICSSOPC-UHFFFAOYSA-N 308.406 4.350 0 40 DIAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1C 10359982 OYCVUSKRAYBAMV-UHFFFAOYSA-N 308.425 4.152 0 40 DIAB Cc1ccc(OCCCCn2c(C=O)nc3ccccc32)cc1C 11735033 APIZUUQFLCXWCP-UHFFFAOYSA-N 322.408 4.325 0 40 DIAB O=C(O)[C@@H](Sc1ccc(Br)cc1)c1ccccc1 11823488 FLQQKZNEPRVZNM-ZDUSSCGKSA-N 323.211 4.367 0 40 DIAB CSc1nc2c(c(Nc3cccc(Cl)c3C)n1)CCC2 12016494 PZDOMQOIQOPSFB-UHFFFAOYSA-N 305.834 4.393 0 40 DIAB CCn1c2ccccc2c2cc(CNCC(F)(F)F)ccc21 12536985 HJQFFNUTRHEQRG-UHFFFAOYSA-N 306.331 4.466 0 40 DIAB Fc1ccc(-c2nnc(S)n2-c2ccccc2)cc1Cl 12563508 CPPDHVYOOZCGCH-UHFFFAOYSA-N 305.765 4.016 0 40 DIAB O=C(CCc1ccco1)N[C@H](c1ccccc1)c1cccs1 12616469 YOLLWEGBCVNSRH-GOSISDBHSA-N 311.406 4.180 0 40 DIAB CC(C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12728662 BLYRKOYLKFASKD-HNNXBMFYSA-N 324.424 4.162 0 40 DIAB Cc1cc(Br)c2ncccc2c1Br 13284345 NGKWIAFGSNMZCR-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB O=C(/C=C\c1ccccc1)OCc1ccccc1CN1C=CCC1 17004276 PVNMMULREXJMLK-SEYXRHQNSA-N 319.404 4.163 0 40 DIAB Cc1csc([C@@H]2Cc3ccsc3[C@H](c3ccccc3)N2)n1 19240268 PCFPAIYJERCRGA-GJZGRUSLSA-N 312.463 4.489 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N1c2ccccc2C[C@H]1C 20493314 LMMGLDRTIOKEFE-CRAIPNDOSA-N 309.409 4.130 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccccc2)o1 23976108 SCOLMFXCNQCHJM-RHSMWYFYSA-N 313.397 4.167 0 40 DIAB C[C@H](Sc1nc2ccccc2[nH]1)c1nc(-c2ccco2)no1 29738100 PQKGXGHHCDGPHN-VIFPVBQESA-N 312.354 4.059 0 40 DIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1n[nH]c2ccccc12 31334058 SPAXBUNUBLBVPB-NSHDSACASA-N 313.788 4.050 0 40 DIAB O=C(c1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1 31924217 SQQWTTDNPOMJNY-FQEVSTJZSA-N 301.389 4.400 0 40 DIAB CC(C)Oc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1 36559411 KOWVYZAYNVRCMF-UHFFFAOYSA-N 318.804 4.449 0 40 DIAB COC(=O)c1cc(Nc2ccc(C)cc2)c2cccc(OC)c2n1 38486743 GMWLZWHMRGKURX-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)cc1 38566770 IQNRWVZERHKBMM-INIZCTEOSA-N 310.397 4.025 0 40 DIAB COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1OC 40007511 AMYBBCNNBSWYLN-CYBMUJFWSA-N 303.377 4.036 0 40 DIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)C1CCCCC1 40108469 VXJVQAJLFYEKKZ-GFCCVEGCSA-N 324.262 4.077 0 40 DIAB Cc1ccc2[nH]c(C(=O)Nc3ccc(N(C)C)cc3C)cc2c1 40111619 LNDSEYPHZJEZPF-UHFFFAOYSA-N 307.397 4.103 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1c(F)cccc1Cl 40159345 AQILYLFBHOXGFJ-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB COc1ccc(Cl)cc1-c1csc(Br)n1 41530895 FAZDNFHYHMKRHI-UHFFFAOYSA-N 304.596 4.235 0 40 DIAB CCOc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 44155700 ZSEBFDXTRJJAGG-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CCCN1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 58418379 HQDFYUAWQCEFAV-HXUWFJFHSA-N 320.436 4.071 0 40 DIAB COC(=O)c1cccc(Nc2ccnc3c(F)ccc(F)c23)c1 64874883 IJJMDUHSUBZBMZ-UHFFFAOYSA-N 314.291 4.043 0 40 DIAB COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(Cl)c2c1 71775363 OQDPUENTNIYHDH-UHFFFAOYSA-N 311.768 4.436 0 40 DIAB Cc1nnc([C@@H](C)N[C@H](C)c2cc(F)c(Cl)cc2Cl)o1 71902385 GKWQQQGPFMAPBR-RNFRBKRXSA-N 318.179 4.236 0 40 DIAB Cc1cc(NCc2ccccc2)ncc1[C@@H](O)c1ccccc1 72223373 KEIMLVXMOAJWBU-FQEVSTJZSA-N 304.393 4.084 0 40 DIAB c1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1 72273540 UFQKDQOVDFCPKV-UHFFFAOYSA-N 312.413 4.214 0 40 DIAB FC(F)(F)Oc1cc(Br)ccc1C(F)(F)F 80440512 ZVBFWXSEGGDZTG-UHFFFAOYSA-N 309.003 4.367 0 40 DIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(F)(F)F 95440402 PFKSYEBKSMDCSG-SECBINFHSA-N 308.369 4.047 0 40 DIAB Cc1n[nH]c2cc(NC(=O)N[C@@H]3CCCc4ccccc43)ccc12 95468882 DUINAEPATMUSAO-QGZVFWFLSA-N 320.396 4.070 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc3c(s2)CCC3)C1 100987042 VECRYHGXQFFSTM-SCLBCKFNSA-N 303.471 4.278 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 113959491 DNHGSMMDDRYRHD-JXFKEZNVSA-N 323.436 4.265 0 40 DIAB Cc1ccc(CSCC(=O)NCCC2=CCCCC2)cc1 166259186 OQEWZUIBOWGSDM-UHFFFAOYSA-N 303.471 4.235 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2cc(C)ccc2C(C)=CC1(C)C 223210797 XALRCSUGBLHNLK-KRWDZBQOSA-N 301.430 4.195 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223212009 XCQOMBAADLFNNF-WMLDXEAASA-N 303.446 4.285 0 40 DIAB COc1ncc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225860594 JOMIIINHROOXCU-UHFFFAOYSA-N 324.424 4.158 0 40 DIAB CO[C@@H](CNC(=O)Nc1cccs1)c1cc2ccccc2o1 253472304 LHHGNZMEKLTSGO-AWEZNQCLSA-N 316.382 4.004 0 40 DIAB CC(C)C(=O)N[C@@]1(C)C[C@H](C(C)(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257314031 UVBSVWCOMCLTNR-HLTONANMSA-N 309.494 4.157 0 40 DIAB Cc1ccc2[nH]cc(CN3CCC[C@@H](c4nccs4)C3)c2c1 2037849996 DTNBBGZBHCTBPI-CQSZACIVSA-N 311.454 4.312 0 40 DIAB Cc1nc(NCCc2ccccc2)c2c3c(sc2n1)CCC3 87746 GMLYGSKBUANJMN-UHFFFAOYSA-N 309.438 4.143 0 40 DIAB CSc1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 1395673 SGVLHLJTBUQRCS-UHFFFAOYSA-N 318.405 4.180 0 40 DIAB O=C(O)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl 1503419 SHJBGWACJFQUKQ-UHFFFAOYSA-N 317.650 4.244 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C(C)C)cc1 2609216 AFKGQNMEMGKEKY-UHFFFAOYSA-N 311.381 4.239 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(C)c(C)c1 3549880 GDUWOYSGKJYNRZ-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB c1coc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)c1 4511797 NTLPDOCUKAPZHD-UHFFFAOYSA-N 318.361 4.266 0 40 DIAB Cc1cc2ccccc2n1Cc1nnc(Cc2ccccc2)s1 4702609 KNAJIZPMPBEPTP-UHFFFAOYSA-N 319.433 4.440 0 40 DIAB Cc1cc(NC(=O)Oc2ccccc2)ccc1N1CCCCC1=O 5441434 GXYVUJADNDKESY-UHFFFAOYSA-N 324.380 4.123 0 40 DIAB CCOc1ccc(NC(=S)NCc2ccccc2Cl)cc1 6332793 XKZQSXVAORWSCW-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CCN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccc(C)cc1 7457168 AJPKOVALSIUHDS-CASCGJKVSA-N 323.421 4.014 0 40 DIAB c1ccc(-c2n[nH]c(SCc3nc4ccccc4s3)n2)cc1 7471495 YEBMUKNORUTBAG-UHFFFAOYSA-N 324.434 4.374 0 40 DIAB O=C1CCc2cc(-c3csc(-c4cccs4)n3)ccc2N1 8209675 AQGPTYHXRJVMHQ-UHFFFAOYSA-N 312.419 4.423 0 40 DIAB CCCC(=O)N1N=C(c2ccc(CC)cc2)C[C@H]1c1ccco1 8734913 GHJSKCYHVYZWES-KRWDZBQOSA-N 310.397 4.320 0 40 DIAB CCCc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cl 8856543 UUVOPEJJGVXACA-UHFFFAOYSA-N 301.777 4.016 0 40 DIAB CCN(CC)c1ncc(CN2CCc3sccc3[C@H]2C)s1 12241200 UCXZSRWSNSZFAX-GFCCVEGCSA-N 321.515 4.170 0 40 DIAB O=C(/C=C/c1cc(Cl)ccc1Cl)OCc1cccnc1 12543096 OFRHLXYMLFSXRS-ZZXKWVIFSA-N 308.164 4.145 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 12922053 RMBAEWROJMUORG-UHFFFAOYSA-N 315.442 4.369 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCCC1=CCCCC1 17334995 KHKJHZUTJDKLGB-UHFFFAOYSA-N 309.409 4.469 0 40 DIAB CC(C)N(CCNc1ccnc2cc(Cl)ccc12)C(C)C 20552561 HXCFNOVWOXJACK-UHFFFAOYSA-N 305.853 4.419 0 40 DIAB CC[C@H](NC(=S)Nc1ccccc1)c1ccc(OC)cc1 20624991 YNXOUVFXQXJZMY-INIZCTEOSA-N 300.427 4.133 0 40 DIAB O=C(CCc1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32096189 XUCWLQPMJNDUOH-UHFFFAOYSA-N 318.420 4.292 0 40 DIAB C[C@H](NC(=O)Nc1ccccc1F)c1cccc(OC(F)F)c1 45954299 CGHHAJHJJWBPOH-JTQLQIEISA-N 324.302 4.310 0 40 DIAB COc1ccc2oc(Nc3nc4ccc(F)cc4s3)nc2c1 57352966 NOPQAMYFLOYPPW-UHFFFAOYSA-N 315.329 4.329 0 40 DIAB COc1ccc([C@H](C)N(C)CCO[C@@H]2CCCC[C@@H]2C)cc1 58932670 QTNWFIKCEJOOLS-TXPKVOOTSA-N 305.462 4.283 0 40 DIAB CCc1nc(NC(=O)c2cc(C)n(C3CC3)c2C)sc1C 65156223 KZONKJSHCKFBJT-UHFFFAOYSA-N 303.431 4.019 0 40 DIAB Cc1oc(-c2ccsc2)nc1CSc1nncn1C(C)C 69421263 PRSVUFLGLXJBNE-UHFFFAOYSA-N 320.443 4.176 0 40 DIAB Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)cnc1Cl 72217817 WXLGIYFVYSUFIP-MRXNPFEDSA-N 314.816 4.411 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2cccc3ccc(O)cc23)c1 95431486 CUPIWLBCTNRSOQ-UHFFFAOYSA-N 305.377 4.343 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NC[C@H](C)c2ccsc2)c1 95968795 QJKHZCDCKGKKQP-STQMWFEESA-N 302.443 4.161 0 40 DIAB CO[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccc(C)cc21 96100203 RVSGUDIPMISTEE-FQEVSTJZSA-N 322.452 4.015 0 40 DIAB COc1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 96702554 BGRGOHSIWTWDSI-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Fc1cc(Cl)c(NCc2nnc(C3CCC3)o2)c(Cl)c1 97237714 IJYKUSATJJFHDC-UHFFFAOYSA-N 316.163 4.395 0 40 DIAB CC[C@H](C)OCc1nc(-c2ccc(F)cc2C(F)(F)F)no1 97377768 ZTVOGIPFSYCKGF-QMMMGPOBSA-N 318.270 4.210 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)c1 102447052 KDXPRDVRXSGOII-PYWIUJKZSA-N 315.457 4.093 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nc3ccccc3[nH]1)C2=O 104814618 BHTMTONVMPPLBO-LGFNAOKASA-N 300.427 4.049 0 40 DIAB COc1c(Cl)cc(Cl)cc1-c1nc2ccc(N)cc2o1 216730412 JBJNIXOWFZKQLP-UHFFFAOYSA-N 309.152 4.392 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NC(C)(C)CC(C)(C)C 224290253 RGHUXHDFYDTJMQ-GFCCVEGCSA-N 311.853 4.438 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCC1CCCCC1 224453842 JHSCJBWXQDMOEW-GOSISDBHSA-N 303.446 4.157 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1C 225473298 HINTXKUDSDJRJO-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB Cc1ccc2c(C)cc(N3CC[C@@H](c4cccnc4)C3)nc2c1 566006450 DJOXSSWEFBNPBX-QGZVFWFLSA-N 303.409 4.241 0 40 DIAB Cc1nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2n1 575473296 VYMZWLSDCXESEF-GFCCVEGCSA-N 321.428 4.106 0 40 DIAB COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=O)cc1 58086 LTJITSUGXMWWBP-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1 1315219 AZGHPONYURSMKP-SJKOYZFVSA-N 315.800 4.121 0 40 DIAB CCCCN(CCCC)CCNc1nc(-c2ccccc2)no1 2002230 VYWQZAARVNRSTR-UHFFFAOYSA-N 316.449 4.051 0 40 DIAB in-man C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 2492878 OXMUJJPXNUBXPP-BJOHPYRUSA-N 316.401 4.441 0 40 DIAB CCOc1ccccc1NC(=O)c1ccc(CSC)cc1 3429891 QMXJWMKLTXORGN-UHFFFAOYSA-N 301.411 4.201 0 40 DIAB Cc1ccc(NC(=S)N2CCc3[nH]c4ccccc4c3C2)cc1 5025476 QSVDUDFVWKUFQM-UHFFFAOYSA-N 321.449 4.231 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)OCc1ccc(F)cc1 5184099 NBVYHGLSZLZCFE-UHFFFAOYSA-N 311.356 4.373 0 40 DIAB Cc1ccc(NCc2n[nH]c(=S)n2-c2ccccc2)c(C)c1 5687719 WVXQNQRSPAFCRW-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB Fc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 6128521 RGJYUVICMPHHSO-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB Clc1ccc2nc(-c3cccc(Br)c3)cn2c1 6315525 GYMIPKZHTWEOCI-UHFFFAOYSA-N 307.578 4.417 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6899397 VCAAUMLCWKMYET-VRHDASFESA-N 311.347 4.414 0 40 DIAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2C)cc1 7129449 MWPWEFTZTLKRHP-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 7304231 YSKXFSYWPPJKIO-JATZPVMKSA-N 303.764 4.370 0 40 DIAB CC(=O)NCc1ccc(-c2csc(Nc3ccccc3)n2)cc1 8208254 KDVYICIHTHNOHF-UHFFFAOYSA-N 323.421 4.190 0 40 DIAB O=C(NCc1ccc(F)cc1)c1cc2cc(F)ccc2s1 8277532 ZFVOCLBXTVDHET-UHFFFAOYSA-N 303.333 4.110 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12621998 JYYVKQVSEFQODT-MRXNPFEDSA-N 315.413 4.409 0 40 DIAB Cc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 12789097 FQMLWMIRACSCDZ-UHFFFAOYSA-N 317.772 4.062 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cc2c(F)cccc2[nH]1 12792483 FPNMQWUBKKVLJY-SFHVURJKSA-N 308.356 4.188 0 40 DIAB COc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 12927493 ISHOFPCSSTXTFN-UHFFFAOYSA-N 320.392 4.308 0 40 DIAB FC(F)(F)c1nc(NOCc2ccccc2)c2ccccc2n1 14129530 MWCMHWFAAMYMGL-UHFFFAOYSA-N 319.286 4.192 0 40 DIAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccccc1C 15841842 HUSZHGRUNSCDDW-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1 17064464 YCWRROFVDCSZKF-UHFFFAOYSA-N 318.298 4.117 0 40 DIAB Cc1ccc(NC(=O)c2cccnc2NCc2ccccc2)cc1 22053771 CKGDBPXBUKTJQP-UHFFFAOYSA-N 317.392 4.254 0 40 DIAB COc1ccc([C@H](NC(=O)CC(C)(C)C)c2ccccc2)cc1 25448531 ZXMHWXASPKWRPH-LJQANCHMSA-N 311.425 4.337 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3O)o2)cc1 30891408 NGASSZQBPZMPMD-UHFFFAOYSA-N 323.348 4.125 0 40 DIAB Cc1cc(Br)c2oc(-c3ccc(C)c(N)c3)nc2c1 40542265 QPVQWAUKDIPNAU-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB CCN(C(=O)Nc1ccc(OC)cc1)[C@H](C)c1cccc(O)c1 40556390 MCACTWLESDDDIH-CYBMUJFWSA-N 314.385 4.016 0 40 DIAB Cc1c(C(=O)N2C[C@@H](C)Oc3ccccc32)oc2ccccc12 41155507 POXLWYQNERQZAM-GFCCVEGCSA-N 307.349 4.169 0 40 DIAB Cc1nc(SCC(=O)c2ccccc2)n(CC(C)C)c1C 48325764 NDGFGRVJZRCPHW-UHFFFAOYSA-N 302.443 4.131 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@H]1c1ccccc1Cl 58423665 AVAPQXGGIPZHAP-QWRGUYRKSA-N 318.829 4.027 0 40 DIAB Cc1cccc([C@H](C)C(=O)N2CCCC[C@H]2c2nccs2)c1 72292356 XZUMOBQDWNPTEG-HOCLYGCPSA-N 314.454 4.309 0 40 DIAB Fc1ccc(CNc2c(-c3cccs3)nc3cnccn23)cc1 72341658 BMCTWORNIGALGE-UHFFFAOYSA-N 324.384 4.209 0 40 DIAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc(Cl)c3)oc12 73639451 YAJIKXWSSBNPBJ-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB Cc1ccc2c(c1)CCCN2Cc1nnc(-c2cccs2)o1 78296082 WCFHUTFACZNMTQ-UHFFFAOYSA-N 311.410 4.059 0 40 DIAB O=C1NCCN1c1cccc(NCc2cc3ccccc3s2)c1 95428563 UMZZZVUSMGZHLP-UHFFFAOYSA-N 323.421 4.043 0 40 DIAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](F)CC[C@@]43C)[C@@H]1CCC2=O 118933817 UVUJMCURBIDHPW-UFTZPVOZSA-N 306.421 4.115 0 40 DIAB Cc1cc(C(=O)N2CCS[C@@H](c3cccs3)CC2)c(C)o1 219495997 ZSISHIFBHRAULH-OAHLLOKOSA-N 321.467 4.278 0 40 DIAB CCc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222557765 JZZFSPWCMXTJIL-MORSLUCNSA-N 323.465 4.233 0 40 DIAB Cc1ccc(SCCC(=O)NC[C@@H](C)c2ccccc2)cc1 223440971 CENBRRDBNBQLLF-MRXNPFEDSA-N 313.466 4.397 0 40 DIAB Cc1ccc(OCCCC(=O)NC(C)(C)CC(C)(C)C)cc1 224142959 LDANUCMEDYFSCF-UHFFFAOYSA-N 305.462 4.485 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(C)cc1C 224375468 JXPFYDQKRCJQHP-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 225324204 RHFZGILALATDSM-ZOWXZIJZSA-N 312.240 4.231 0 40 DIAB Fc1ccc(NC(=S)NCCSC2CCCCC2)cc1 225357121 PCYCNZJACZFIOU-UHFFFAOYSA-N 312.479 4.178 0 40 DIAB CCOC(=O)c1ccccc1NC(=O)c1cc(C)c(C)cc1C 225639147 MJRMFZRYJGNKJV-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CC(C)(C)c1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)no1 585084811 NKNWGZZFELZFLV-CQSZACIVSA-N 302.393 4.101 0 40 DIAB COC(=O)c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 235557 YIEMJWNFZGGLOF-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB Cc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)c(C)c1 385280 ZPWHYKLIMBSCNX-UHFFFAOYSA-N 320.421 4.060 0 40 DIAB Cc1nn2cc(-c3ccc(Cl)cc3)cnc2c1Br 1386195 KFHROFOPUCONNI-UHFFFAOYSA-N 322.593 4.121 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)Oc1nc2ccccc2o1 1572393 LLZSAFAWHAPQAW-UHFFFAOYSA-N 302.717 4.401 0 40 DIAB CCC[C@H](O)CN(C)Cc1cc2c(c3ccccc13)CCCC2 1592055 UOHIGTSTTORWPE-SFHVURJKSA-N 311.469 4.311 0 40 DIAB Cc1cc(=O)n([C@@H](C)c2ccccc2)n1[C@@H](C)c1ccccc1 1710538 IVSYXCFWNOBBAM-IRXDYDNUSA-N 306.409 4.177 0 40 DIAB Cc1csc(SCC(=O)Nc2cccc(Cl)c2C)n1 3413804 QAXPQIQUBXUWKB-UHFFFAOYSA-N 312.847 4.144 0 40 DIAB CSc1ccc(C(=O)c2ccc(Br)cc2)cc1 4241711 MNRIMSJSRIPDON-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB CCCC[C@H](CC)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 4702929 KGJNIKWJNMLLRV-NSHDSACASA-N 322.474 4.453 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1 5677466 OQMVQSVOQMDCCR-UHFFFAOYSA-N 306.696 4.068 0 40 DIAB Cc1ccc(F)cc1NC(=O)C1(c2ccc(Cl)cc2)CC1 5688178 HPYUMFHDKGSVNL-UHFFFAOYSA-N 303.764 4.458 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(Cl)c1 6852819 SAZGHHPRVRKUMM-CYBMUJFWSA-N 302.805 4.483 0 40 DIAB COc1ccc(CNC(C)(C)CC(C)(C)C)c(OC)c1OC 6857381 WGRGBSZIUOJRLH-UHFFFAOYSA-N 309.450 4.017 0 40 DIAB Cc1cnc(NC(=O)c2cc3c(s2)CCCCCC3)s1 6969171 SSRWBFMPFGNCKA-UHFFFAOYSA-N 306.456 4.424 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)n1 8704552 KVHLOPLOVUXMOB-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB C[C@H](NC(=O)c1cccc2cccnc12)c1ccc(F)c(F)c1 12901900 VAUQMTJHDBYEPK-NSHDSACASA-N 312.319 4.004 0 40 DIAB Cc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 12928281 ITZCBPZUJJRHGG-VAWYXSNFSA-N 303.405 4.324 0 40 DIAB C[C@@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)C1 13097639 SQEALPKCAIFTQP-LLVKDONJSA-N 323.849 4.215 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 13932626 YQIMAJPSYYPCTN-LLVKDONJSA-N 320.845 4.396 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1Cl 15656594 BNSYPLSRVIEOTH-LLVKDONJSA-N 321.829 4.468 0 40 DIAB FC(F)(F)c1ccc(NC(=S)NCc2cccs2)cc1 17053792 SOOITYMGBFSORZ-UHFFFAOYSA-N 316.373 4.254 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(N)c2C)c1 19736277 JSCDOBFXRNPCNS-UHFFFAOYSA-N 312.413 4.027 0 40 DIAB Cc1ccc(C)c(CC(=O)NCc2ccc(Cl)cc2Cl)c1 20481171 QPXZKATYPXWGMH-UHFFFAOYSA-N 322.235 4.469 0 40 DIAB Cc1cccc(OCCC(=O)Nc2nc(C3CC3)cs2)c1C 26106050 XOOBLNAKDNDIOU-UHFFFAOYSA-N 316.426 4.045 0 40 DIAB Cc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 41097560 MLLGWMQXHRCZGP-PBHICJAKSA-N 310.447 4.334 0 40 DIAB CCS[C@H]1NC(SC)=Nc2nc(-c3ccc(C)cc3)oc21 41154985 OHBGCPMFKUPYMR-CQSZACIVSA-N 319.455 4.355 0 40 DIAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1F 53155939 PPWFTWUGKQEWBO-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Cc1ccccc1CN(C)CC(=O)c1c(C)[nH]c2ccccc12 57450398 XZZYBMMTHGJTDU-UHFFFAOYSA-N 306.409 4.099 0 40 DIAB Fc1ccccc1NCn1nc(-c2ccccc2)oc1=S 59488423 HFCCFUHPINEULO-UHFFFAOYSA-N 301.346 4.081 0 40 DIAB CCc1cccc(C)c1NC(=O)c1c(C)nc2ccc(C)cn12 71459241 GSGFTACXGMNBJI-UHFFFAOYSA-N 307.397 4.074 0 40 DIAB Cc1cccc(-c2nnc(C3(c4ccccc4)CCOCC3)o2)c1 71889574 DQAUKSXWQOAPDM-UHFFFAOYSA-N 320.392 4.142 0 40 DIAB CSc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72216910 VUOQSOJRPZOKMI-ZDUSSCGKSA-N 308.447 4.266 0 40 DIAB C[C@H]1C[C@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 78999747 WAFOQERJYNGVML-GWCFXTLKSA-N 321.829 4.433 0 40 DIAB Cc1c(F)cccc1N[C@@H](C)c1nc(-c2cccs2)no1 80715497 GFBNCPOTBVTWMK-JTQLQIEISA-N 303.362 4.419 0 40 DIAB CCSCC[C@H](C)NC1CCC(C(=O)OC(C)(C)C)CC1 95454569 TYQGXPBCMGZWOE-NFOMZHRRSA-N 315.523 4.008 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104242039 FDWIVGHPYKMNRS-XUZOSWKBSA-N 302.458 4.269 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc(OC)cc1 224157018 DIPOILYUUOYIDQ-YJBOKZPZSA-N 321.461 4.185 0 40 DIAB C[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 225331178 YONJMCOEHDJIRW-NSHDSACASA-N 300.229 4.185 0 40 DIAB Cc1ccnc(-c2cccc(Nc3ncnc4ccsc34)c2)n1 522404315 VCEHNHJSXXUJBD-UHFFFAOYSA-N 319.393 4.200 0 40 DIAB O=C(CCc1ccccc1)NCc1ccc(-c2cccs2)o1 575607986 GVKWTCSYBJMORY-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccccc1 949543 UGNVLASIQCHKKS-UHFFFAOYSA-N 306.365 4.464 0 40 DIAB O=C(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 1431542 SZMIKSILGJXJDM-UHFFFAOYSA-N 312.372 4.316 0 40 DIAB COc1ccc(-c2nc3sc4ccccc4n3c2C=O)cc1 1527938 YRHIOPXFEPCQMB-UHFFFAOYSA-N 308.362 4.037 0 40 DIAB CCCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1 1583050 YKWWEXFRGZYKLF-CYBMUJFWSA-N 314.381 4.365 0 40 DIAB Cc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 3331892 MJXHXDFAJLAVES-IZZDOVSWSA-N 303.308 4.248 0 40 DIAB Cc1ccc(C(=O)[C@@H](Cc2ccccc2)N2CCCCC2)cc1 3384305 LSFGKUCFFMPDOS-HXUWFJFHSA-N 307.437 4.275 0 40 DIAB CN(C)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 5334521 HWCONHJAASAHNV-UHFFFAOYSA-N 322.389 4.136 0 40 DIAB CCOc1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 7350673 OMZFKEOOXFYSSH-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CCc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 8080183 JLTZXNPLIDPZOJ-UHFFFAOYSA-N 319.788 4.172 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1c(C)cccc1C 8480734 ADCRUYGFHVFHND-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(C)cc1 11824350 OBNFTQLVHOZHEC-UHFFFAOYSA-N 320.772 4.324 0 40 DIAB C[C@@H](NC(=O)/C=C\c1ccccc1)C1C2CC3CC(C2)CC1C3 12438625 ZZIDYYQEZLPFFD-OWCOAQEYSA-N 309.453 4.277 0 40 DIAB O=C(c1ccc2c3c(cccc13)CC2)N1CCc2ccccc2C1 12456837 QGGHGKWAJSURRX-UHFFFAOYSA-N 313.400 4.137 0 40 DIAB COc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1Cl 13004546 WRESCMIHRJFUMO-UHFFFAOYSA-N 307.802 4.151 0 40 DIAB CC(C)Oc1cccc(C(=O)c2ccc(Br)cc2)c1 15441624 GQCXKQGETCWZLF-UHFFFAOYSA-N 319.198 4.467 0 40 DIAB CCCOc1ccccc1OC(=O)Cc1c[nH]c2ccccc12 16009227 VOMXVRNXZLYRIR-UHFFFAOYSA-N 309.365 4.105 0 40 DIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C=O)cc1)S2 16266275 RNYFEMLAQPIMJG-QGZVFWFLSA-N 306.390 4.188 0 40 DIAB COCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 17590544 MYTOLUXZLHDCBK-UHFFFAOYSA-N 324.405 4.209 0 40 DIAB C[C@H](NCc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 19872190 AIIOQSJZJUEIIZ-ZBEGNZNMSA-N 310.224 4.205 0 40 DIAB O=C(CCN1CCC[C@H]1c1cccs1)Nc1ccccc1F 22199326 MIVBSVNJNUCUOY-HNNXBMFYSA-N 318.417 4.053 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1O)c1cccc2ccccc12 23433792 VDXXWYKUEQAOOL-OAHLLOKOSA-N 319.404 4.355 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C1 24987002 OEMSPEZQQRCNLN-ZIAGYGMSSA-N 319.404 4.016 0 40 DIAB COc1cccc(CN(C)c2cc(C)nc3ccccc23)c1OC 26135536 MQVQEYIIILSPCZ-UHFFFAOYSA-N 322.408 4.197 0 40 DIAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)C1CCCC1 28220923 XJUWKPMTJUDLLU-UHFFFAOYSA-N 319.408 4.213 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCc2ccccc21 30753455 QQCYZOVGJBNQRZ-HXUWFJFHSA-N 323.436 4.440 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccccc1 30757985 PMFJNVUXTVWRCS-GOSISDBHSA-N 311.425 4.119 0 40 DIAB CC(C)[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 32803509 DQWWPLDNOMQSGD-FUHWJXTLSA-N 312.413 4.354 0 40 DIAB COc1ccc([C@H](NC(=O)c2cc3ccccc3[nH]2)C2CC2)cc1 32848504 DJJCCXTUEIDFBI-LJQANCHMSA-N 320.392 4.058 0 40 DIAB Fc1ccc(COc2nnc(-c3ccccc3)o2)c(Cl)c1 58733293 CHKYOUMBYXPJKE-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB CCCc1nc(C)c(C(=O)NC(C)(C)c2ccccc2)s1 65404234 CULJSKRXVFGDOQ-UHFFFAOYSA-N 302.443 4.069 0 40 DIAB C[C@H](SCc1ccc(Cl)s1)C(=O)NC1CCCC1 71818631 PQKJTCODFQRONU-VIFPVBQESA-N 303.880 4.082 0 40 DIAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1cccc2[nH]ccc12 72274468 XMHSBBKHJNMEEJ-GOSISDBHSA-N 322.456 4.287 0 40 DIAB CCSc1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cn1 72303326 JZJBOYAAYOOSAG-GUYCJALGSA-N 312.438 4.027 0 40 DIAB S=C(Nc1ccc2ccccc2c1)Nn1cnc2ccccc21 84605954 ZMGHAZYUGYMYGM-UHFFFAOYSA-N 318.405 4.130 0 40 DIAB C[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2Cl)C1 89927275 PBDLBYMFASZGIH-BDAKNGLRSA-N 320.742 4.062 0 40 DIAB CCc1ccc(N[C@H](C(=O)N(CC)CC)c2ccccc2)cc1 98081186 LAZIKLHWIQLIFV-IBGZPJMESA-N 310.441 4.271 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1F 113960601 KWFWDYFYNPBQSF-INIZCTEOSA-N 305.324 4.069 0 40 DIAB Cc1nnc([C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)o1 194582518 SGJLISFENHILLI-RXMQYKEDSA-N 323.727 4.299 0 40 DIAB Nc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216917206 CIERENXLNDZRHO-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1 222864383 QCVVQNUWPCCTJV-INIZCTEOSA-N 319.404 4.232 0 40 DIAB CCO[C@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@@H](C)C1 225717805 BTSHGIJZQJFGEV-BFUOFWGJSA-N 319.445 4.236 0 40 DIAB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)[C@H]1O 247940460 GCUZTKRRUTYKPX-DRYZZIBHSA-N 309.453 4.486 0 40 DIAB C[S@](=O)Cc1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 249196229 QTCHAFKQVPYPKF-YLGBZRSBSA-N 319.392 4.098 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc(C)c1Cl 250964300 WCBGIDMPHRTSPP-ORIJERBGSA-N 321.848 4.029 0 40 DIAB CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2ccccc2)c1C 362323710 ZHKGLCFGPKPTRR-CHWSQXEVSA-N 300.406 4.045 0 40 DIAB Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409097864 JNTOBOFGDFRKDI-YVLHZVERSA-N 306.390 4.264 0 40 DIAB CC(C)(CNC(=O)CSc1ccc(F)cc1)c1ccsc1 1888928825 LWZDCFBWESPALX-UHFFFAOYSA-N 323.458 4.073 0 40 DIAB Nc1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)cnn12 208693 HFAOLFLNWUFPRJ-UHFFFAOYSA-N 320.783 4.299 0 40 DIAB Cc1sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)nc1-c1ccccc1 484149 WMELCSMTMPPVOB-NWANDNLSSA-N 312.438 4.493 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 2625160 KGZRGDNZZAFHOQ-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB C[C@@H](Cc1ccccc1)NCCCCN[C@@H](C)Cc1ccccc1 3058782 WQJMQJVSPXMDNH-PMACEKPBSA-N 324.512 4.208 0 40 DIAB CCc1cccc(C)c1NC(=O)C(=O)Nc1c(C)cccc1CC 4506223 MMRKNANDXFUHRZ-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB Cc1ccc(C)c(OCCC(=O)Nc2ccccc2Cl)c1 7191900 BYOFNHFFWRZOGB-UHFFFAOYSA-N 303.789 4.364 0 40 DIAB O=C(NCc1ccccc1F)c1cc2cc(Cl)ccc2o1 8246679 YPPHQTGBLOSYPY-UHFFFAOYSA-N 303.720 4.155 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1 8477743 UTWIWZNQXIVDPP-INIZCTEOSA-N 303.789 4.445 0 40 DIAB C[C@@H](NC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccco1 8724376 MRSXIYVEMUFMSM-CYBMUJFWSA-N 303.361 4.342 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccco2)cc1 9064426 CUJWRQUUPTWKMQ-RUMSDORHSA-N 310.397 4.310 0 40 DIAB Cc1ccc(OC(=O)c2cc(C)nc3c2cnn3C(C)C)c(C)c1 10965045 RDYQZDRSCDWFRP-UHFFFAOYSA-N 323.396 4.157 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1C 12756829 UJYCHDHRIJPIEH-UHFFFAOYSA-N 300.427 4.281 0 40 DIAB O=C1c2cccc3cccc(c23)N1CCCOc1ccc(F)cc1 13007416 HVXVDHYHBXOHIK-UHFFFAOYSA-N 321.351 4.408 0 40 DIAB O=C(C1CCCC1)N1CCC(c2cc3ccccc3cn2)CC1 13267748 ABFVWTPGDUNFST-UHFFFAOYSA-N 308.425 4.131 0 40 DIAB Cc1cc(C)c2c(c1)Cc1c(ccc3ccccc13)S2(=O)=O 18194658 IPADWAHHMSMCDA-UHFFFAOYSA-N 308.402 4.194 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 19230212 XYAODRQBJZSCAR-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C 20481222 ARJLLEWLDGGADM-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc(OC)cc1 22522283 LGCSAMHCKYDSGN-MRXNPFEDSA-N 303.789 4.230 0 40 DIAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 32878697 HRKJEYBYIJURPG-UHFFFAOYSA-N 318.376 4.241 0 40 DIAB CC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33735683 OAEMMWVTNAFMDD-UHFFFAOYSA-N 313.740 4.072 0 40 DIAB CC(C)(C)[C@H](NC(=O)NCc1ccccc1F)c1cccs1 48333036 CELUIDYBAYTJJA-OAHLLOKOSA-N 320.433 4.474 0 40 DIAB O=C(COC1CCCC1)Nc1ccc2nc(C3CC3)sc2c1 63981014 LJPYKQDHSKBGCJ-UHFFFAOYSA-N 316.426 4.071 0 40 DIAB C[C@@H](NC(=O)c1cccnc1S)c1csc2ccccc12 71879562 DHRRHPYPUOBOGE-SNVBAGLBSA-N 314.435 4.076 0 40 DIAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C3CCCC3)n2)c1 72288554 CUABDKBZCYKGCT-SFHVURJKSA-N 323.440 4.239 0 40 DIAB Cc1cc(C)n(C[C@@H](C)CN[C@H]2CC(C)(C)Cc3occc32)n1 95967320 ZJNQTUBSEBZFSC-GUYCJALGSA-N 315.461 4.032 0 40 DIAB CCOc1cccc2cc([C@H](C)NCc3nc(C)c(C)o3)oc12 97374134 WQVVTDRDCNMQTH-LBPRGKRZSA-N 314.385 4.287 0 40 DIAB C[C@@H](NC(=O)CSc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108853336 LAATVQURGJINLT-ZOBORPQBSA-N 323.889 4.373 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cl)c(Cl)c1 222564015 MMOMIYWHMVTZRB-UHFFFAOYSA-N 322.195 4.222 0 40 DIAB COc1ccccc1/C=C/C(=O)NCc1cccc2ccccc12 222826587 CDLREBLGMAILKU-BUHFOSPRSA-N 317.388 4.178 0 40 DIAB Fc1ccc(NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 224938813 BUKRPBDSYQWOBX-UHFFFAOYSA-N 315.417 4.235 0 40 DIAB CC(C)CO[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140570 SDISJHSIKMBGNC-SFHVURJKSA-N 314.381 4.147 0 40 DIAB COc1cccc(/C=C\[N+](=O)[O-])c1OCc1ccc(Cl)cc1 409088785 GYSPKLXTBJNUSG-KTKRTIGZSA-N 319.744 4.175 0 40 DIAB O=C(CC1CCC(F)(F)CC1)NCc1cccc2occc12 952994635 AMQZSARXODWMHX-UHFFFAOYSA-N 307.340 4.265 0 40 DIAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222303 VUGCORCDDCWGHS-DLBZAZTESA-N 324.815 4.386 0 40 DIAB Cc1cc(C)c2nc(C)cc(C(=O)N[C@H]3CCCC[C@@H]3C)c2c1 920314 FXYHQLKBLFSUQI-UGSOOPFHSA-N 310.441 4.469 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 1426050 XPEPATLTXAWZGQ-UHFFFAOYSA-N 315.372 4.393 0 40 DIAB c1ccc2nc(N3CCCCCC3)c(N3CCCCCC3)nc2c1 1681954 LYRNZHDAYZUJTD-UHFFFAOYSA-N 324.472 4.391 0 40 DIAB CCOC(=O)CCCCCCC(=O)c1cc(C)c(OC)c(C)c1 2378866 UJOSYQOVJSWRAZ-UHFFFAOYSA-N 320.429 4.398 0 40 DIAB CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[C@@H](CC)C2 2752617 SEBKFTAHSBLODE-LLVKDONJSA-N 323.458 4.034 0 40 DIAB Cc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1C 4061478 DGGLECNDPVUCKR-UHFFFAOYSA-N 306.409 4.034 0 40 DIAB Cc1c(Cl)ccc2sc(NC(=O)Cc3ccccc3)nc12 4325427 HKGJBVDCGOKEOT-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB Cc1cccc(Nc2nc(C(=O)NC3CCCCC3)cs2)c1 4687895 HGAQCZQSANQDEE-UHFFFAOYSA-N 315.442 4.258 0 40 DIAB O=C(Nc1cccc(Cl)c1)[C@@H]1COc2ccc(Cl)cc2C1 7944619 MQYDXYFSCPRHHD-NSHDSACASA-N 322.191 4.183 0 40 DIAB CC[C@H]1CCCCN1C(=S)Nc1ccc(OC(F)F)cc1 8684603 LVZMXNNTEWBIKO-LBPRGKRZSA-N 314.401 4.249 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2ccccc2)n1 8727324 HKMUCEKXHDDZJA-CJNGLKHVSA-N 314.454 4.048 0 40 DIAB O=C(Nc1ccc(Br)cc1Cl)c1ccsc1 8774443 VBOPIJGDKCFBON-UHFFFAOYSA-N 316.607 4.416 0 40 DIAB COc1cccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 8944174 WUNMCQVVMMEBHQ-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(Cl)c2)c1C 9458128 QXIPJQMHXFRADF-UHFFFAOYSA-N 304.777 4.048 0 40 DIAB O=C(Nc1ccc2ncsc2c1)c1nc2ccccc2s1 10217190 BYWASINEYZETRP-UHFFFAOYSA-N 311.391 4.158 0 40 DIAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccccc1Oc1ccccc1 11566305 WOBIHONMGPBCLR-HZPDHXFCSA-N 321.376 4.159 0 40 DIAB C[C@H]1C[C@@H](C)CN(c2nc(C(F)(F)F)nc3ccccc23)C1 12684533 GBJUIRCRZKYMLU-PHIMTYICSA-N 309.335 4.131 0 40 DIAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1 13003844 YRAYWYHAAAABEX-NSHDSACASA-N 311.303 4.050 0 40 DIAB O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccc(F)cc1 19926877 DJCSMYQGUHPCBC-HNNXBMFYSA-N 307.777 4.258 0 40 DIAB O=C(Nc1ccccc1)Nc1ccc(F)cc1Br 20430668 OWTKEROKRSOXJJ-UHFFFAOYSA-N 309.138 4.232 0 40 DIAB CCc1nc2ccc(NC(=O)c3ccc(F)cc3F)cc2s1 22254953 UZINOUUBRKGKFW-UHFFFAOYSA-N 318.348 4.389 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2)C2CC2)cc1 24026533 DAEZWTROOBXYDD-OAQYLSRUSA-N 321.420 4.225 0 40 DIAB CC1(C)[C@H]2CC[C@]1(Br)c1nc3ccccc3nc12 32254107 XAACBLJUIAGXCN-VFZGTOFNSA-N 303.203 4.137 0 40 DIAB C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 34867691 QURZUVGLYNGKTO-UBHSHLNASA-N 314.351 4.168 0 40 DIAB O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1cccc(F)c1 36620553 YWAZFVGLPQDDAG-INIZCTEOSA-N 302.324 4.334 0 40 DIAB C[C@H]1CCCCN1c1c(N)cc(Br)cc1Cl 45958976 LSJGWYILYUDRMT-QMMMGPOBSA-N 303.631 4.064 0 40 DIAB C[C@H](CC[C@@H]1CCCO1)NC(=O)c1occc1-c1ccccc1 58195407 APVKFVRTMLXBGY-ZBFHGGJFSA-N 313.397 4.024 0 40 DIAB COc1cc2cc(C(=O)O)sc2cc1OCc1ccccc1 62709766 UXBFWXWXLWWUBZ-UHFFFAOYSA-N 314.362 4.187 0 40 DIAB CC(C)(C)c1cn2nc(N[C@@H]3CCc4ccccc43)sc2n1 69351687 AJWDEFZYHUYVLH-CYBMUJFWSA-N 312.442 4.188 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72214871 KRQCRXJQUVJVBG-OAHLLOKOSA-N 319.449 4.046 0 40 DIAB c1ccc(COc2ccccc2-c2noc([C@H]3CCCO3)n2)cc1 74448219 HBCWESCOSSOMBW-QGZVFWFLSA-N 322.364 4.167 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@]1(C)CC[C@H]2O 118914974 DQOPJSFDWXFQLN-MRGDDNICSA-N 304.474 4.061 0 40 DIAB CCOc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 195663742 SEZIKDRHBRBIJE-UHFFFAOYSA-N 313.382 4.339 0 40 DIAB Cc1ccc(C)c(C(=O)NCCSCc2ccccc2C)c1 222545005 XGCZWARKWCPSGP-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)C(C)C 225230293 ZPFZWGMWDHROSA-WMLDXEAASA-N 305.462 4.302 0 40 DIAB Cc1cccc(CSc2nnc(C)n2-c2ccc(F)cc2)c1 409098353 LCJTVLBLZMMQHB-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB Cc1cc(Nc2cccc(F)c2)nc(NCc2ccccc2)n1 73468 CTOCGJNJJGMVFB-UHFFFAOYSA-N 308.360 4.280 0 40 DIAB COc1ccc(N2C(=O)CS[C@H]2c2ccccc2Cl)cc1 146625 IYINNXMMWPRFOQ-INIZCTEOSA-N 319.813 4.127 0 40 DIAB C1CCCCCC2(CCCCC1)OC[C@@H](CN1CCCC1)O2 194382 MSSAIEVACVNALM-GOSISDBHSA-N 309.494 4.499 0 40 DIAB C[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 519989 OXWFTMXZJCILRG-CQSZACIVSA-N 304.397 4.071 0 40 DIAB CCN(CCNc1cc(OC)cc2cccnc12)c1ccccc1 1656157 UIBJJXMJTOLDSD-UHFFFAOYSA-N 321.424 4.182 0 40 DIAB Cc1cccc(OCCCCn2c([C@@H](C)O)nc3ccccc32)c1 1926799 AAWQIRVKISVJQL-MRXNPFEDSA-N 324.424 4.257 0 40 DIAB O=C(CCc1cccc(Br)c1)c1cccc(F)c1 2516711 MLNXDNUOSNPYBG-UHFFFAOYSA-N 307.162 4.404 0 40 DIAB Cc1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1 2653206 IAWGZDNFPNCGFS-UHFFFAOYSA-N 308.406 4.222 0 40 DIAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1-n1ccnc1 4025628 UDAHRHTUYYBZBS-UHFFFAOYSA-N 312.760 4.170 0 40 DIAB COc1ccc(C)c2sc(NC(=O)c3ccccc3F)nc12 4331319 KHOABOQKMNHLBJ-UHFFFAOYSA-N 316.357 4.005 0 40 DIAB CC1(C)CCc2c(cc(O)c3c(-c4ccccc4)cc(=O)oc23)O1 5825839 BDWAFTUVPZWXIV-UHFFFAOYSA-N 322.360 4.269 0 40 DIAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Cl 5891202 ZJLCEIMGYWIVJL-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 6372815 SDWMOJRZRGDPIW-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB O=C(OCc1cc(-c2cccs2)on1)c1c[nH]c2ccccc12 7855220 LYLSYPDNDFNLNK-UHFFFAOYSA-N 324.361 4.241 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1cccs1 7985323 GHBNLLDBLVPZOH-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB FC(F)(F)c1nc(N2CCc3ccccc32)c2ccccc2n1 8389381 HHFQEOCLEWITSG-UHFFFAOYSA-N 315.298 4.343 0 40 DIAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)c1 8612403 NKPDFCNXMLMITI-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 8707617 HORDQZLXTGAYCE-CQSZACIVSA-N 322.408 4.167 0 40 DIAB Cc1ccc(OCCCC(=O)N2c3ccccc3C[C@H]2C)cc1 10449975 WMYFJACTHPTIEK-MRXNPFEDSA-N 309.409 4.132 0 40 DIAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(F)cc1C)C2 13024152 DFOTZRSLWRZAPG-MRXNPFEDSA-N 301.386 4.098 0 40 DIAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1 13057381 RBNAOZYPNBEVOX-GFCCVEGCSA-N 318.804 4.096 0 40 DIAB Clc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 13121868 DCXOEABCLIVSFE-STQMWFEESA-N 316.817 4.139 0 40 DIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(N)ccc1C 19736050 QIVZTEHEGAIGRH-CYBMUJFWSA-N 312.413 4.108 0 40 DIAB Cc1c(N)cccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 19736330 KGDVKWYEVBGOSD-CQSZACIVSA-N 312.413 4.107 0 40 DIAB Cc1cc2c(c(C)c1Cl)CN(Cc1ccc(F)cc1)CO2 19822999 JNGGNXNERDFEQR-UHFFFAOYSA-N 305.780 4.448 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C)ccc1OC 20457013 CBROREFGMXUKJV-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB Cc1cccc(Nc2ccccc2C(=O)Nc2nncs2)c1C 21214166 WMXOLEDZISNTMK-UHFFFAOYSA-N 324.409 4.151 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCCC[C@@H]1C 24475367 RRFSSPXSIYIAKV-KSSFIOAISA-N 308.425 4.366 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cccc(C)c1 25108781 KHXLGOIQTDIYMF-CJTWTEFWSA-N 309.409 4.236 0 40 DIAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1cccc(Cl)c1 35982550 QFPGGYBXXIHZBK-CYBMUJFWSA-N 301.817 4.495 0 40 DIAB CCN(C(=O)Nc1ccc(OC)cc1)[C@@H](C)c1cccc(O)c1 40556389 MCACTWLESDDDIH-ZDUSSCGKSA-N 314.385 4.016 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)cc1F 44850283 DIJFHINAGWAXDZ-INIZCTEOSA-N 319.351 4.378 0 40 DIAB CN(C(=O)c1ccc(-c2cnco2)cc1)[C@H]1CCc2ccccc21 54520550 GDTXXHYZUOXBEV-SFHVURJKSA-N 318.376 4.101 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)no1 69539223 OBZGIDUDPQDQJX-VHSXEESVSA-N 318.339 4.279 0 40 DIAB CC(C)C[C@H]1SCC(O)=Nc2c1cnn2-c1ccccc1F 79484260 LZWPHQMYKIIWHI-CQSZACIVSA-N 319.405 4.433 0 40 DIAB O=C(c1cc(C2CC2)on1)N1CCCC[C@H]1CCc1ccccc1 89879375 XRVXCTKRKWLUCM-KRWDZBQOSA-N 324.424 4.180 0 40 DIAB C[C@]1(c2nc(CCCc3ccccc3)no2)CC1(Cl)Cl 95963380 LHRBHWZRXFXSOK-CQSZACIVSA-N 311.212 4.080 0 40 DIAB Cc1csc(C2(N[C@H](C)CCc3ccccc3)CCC2)n1 97212479 CIDFVFQIDFCUBE-CQSZACIVSA-N 300.471 4.442 0 40 DIAB CC(C)N(C(=O)OC(C)(C)C)c1ncc(Br)s1 113170811 LQLHUMILSVQBCA-UHFFFAOYSA-N 321.240 4.056 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC(C(C)C)C(C)C 113970828 ZFZPKLASAWUQSI-KRWDZBQOSA-N 305.462 4.258 0 40 DIAB CC(C)c1ccccc1OCCNC(=O)c1cccc(Cl)c1 223743973 ALAQNSBLDAHFNO-UHFFFAOYSA-N 317.816 4.272 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225724774 LSZJZGCDITVAOY-LJQANCHMSA-N 319.445 4.318 0 40 DIAB O=C(COc1cccc2ccccc12)Oc1ccccc1Cl 587030 HLJRSVCPPYGRFG-UHFFFAOYSA-N 312.752 4.478 0 40 DIAB CCOC(=O)CCCCC(=O)c1ccc(C(F)(F)F)cc1 2580330 JGOWXRIHZIGXBC-UHFFFAOYSA-N 302.292 4.012 0 40 DIAB CCCSc1nc2ccccc2c(=O)n1-c1ccccc1F 3221006 OOWXCXWXJTURLE-UHFFFAOYSA-N 314.385 4.027 0 40 DIAB Cc1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1C 3608914 WJJKPGXUTFYWAK-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 4666222 LEVHZPFFAUKYBO-JTQLQIEISA-N 310.180 4.399 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 5539011 KKKVHJDDOSMROB-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB Oc1c(Cl)c(Nc2ccccc2)c(O)n1-c1ccccc1 5593430 PIPSRUOSMZQDNF-UHFFFAOYSA-N 300.745 4.286 0 40 DIAB S=C(Nc1cccc(Cl)c1)Nc1ccc2cn[nH]c2c1 5657802 SVJWOVCJXDEPFO-UHFFFAOYSA-N 302.790 4.025 0 40 DIAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc21 6010757 FGGMLGJXZQKPDD-HNNXBMFYSA-N 317.388 4.196 0 40 DIAB CC(C)/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1C(C)C 6325025 OHQMWLVUWITJSU-WZMAMLOKSA-N 322.861 4.429 0 40 DIAB O=C(NCc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 6653589 UOKJIQMVOMDERG-UHFFFAOYSA-N 303.833 4.173 0 40 DIAB CSc1ccccc1NC(=O)c1nc(Cl)ccc1Cl 8707031 PAAKKDOMAXPWNY-UHFFFAOYSA-N 313.209 4.363 0 40 DIAB CSc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 11692052 TYFCOKPDLCDJOH-OWBHPGMISA-N 320.417 4.063 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 12785379 XXNSBSIDQGAOGM-JTQLQIEISA-N 324.211 4.136 0 40 DIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(F)c1 12907776 SZSBFEYPGUXCNV-UHFFFAOYSA-N 310.328 4.052 0 40 DIAB COC(=O)c1ccc(/C=C(\Cl)c2nc3ccccc3[nH]2)cc1 13140920 AWEZQNOVMFNFGU-RAXLEYEMSA-N 312.756 4.086 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl 14379030 JEPQQAVPHGWGAO-UHFFFAOYSA-N 308.164 4.448 0 40 DIAB Cc1ccc(NC(=S)NCCSCc2ccco2)c(C)c1 16313898 OUCWTOCEFYGKML-UHFFFAOYSA-N 320.483 4.116 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)c1ccncc1 32740846 LQTFLEWYHLVDIC-GFCCVEGCSA-N 323.421 4.005 0 40 DIAB c1ccc(-c2cn3nc(NCc4cccs4)sc3n2)cc1 32760002 ZHKDLVPNPDTYNF-UHFFFAOYSA-N 312.423 4.131 0 40 DIAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(F)cc3)n2)cc1 49468042 CCWREPRUXSOOOK-UHFFFAOYSA-N 324.359 4.007 0 40 DIAB CCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1Cl 58229270 DUPZZJHGDSJJFY-UHFFFAOYSA-N 304.777 4.100 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1ccc(OCC)c(OCC)c1 59014073 FTRFKQDIQBKEBZ-OAHLLOKOSA-N 321.461 4.430 0 40 DIAB Cc1cc(C)c2nc(-c3cncc(Br)c3)[nH]c2c1 70462787 QPYFLCNZYRSCOB-UHFFFAOYSA-N 302.175 4.004 0 40 DIAB COCC1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)CC1 72281319 SHKGCSHXHCXHOG-ZDUSSCGKSA-N 322.474 4.001 0 40 DIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2c(F)cccc2Cl)on1 72395100 KFLIVGDIWBPSIB-YVEFUNNKSA-N 322.811 4.277 0 40 DIAB C[C@H](Cc1cc(F)cc(F)c1)OC(=O)c1c[nH]c2ccccc12 89203490 BVEGNKSDZLQVLF-LLVKDONJSA-N 315.319 4.234 0 40 DIAB Cc1cc(C)cc(-c2nnc(SCCCOC(C)C)o2)c1 95401144 JSNGIWQZPWZCGD-UHFFFAOYSA-N 306.431 4.261 0 40 DIAB C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1cccs1 96478035 FSLPSEPLOUOABO-BXUZGUMPSA-N 314.376 4.010 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCCC(C)(C)C1 216437099 RSACTJSMDDUSMW-HNNXBMFYSA-N 303.446 4.226 0 40 DIAB Nc1ccc(NC(c2ccccc2)c2ccccc2)c(C(=O)O)c1 225323955 AADLGGJXRKWIHO-UHFFFAOYSA-N 318.376 4.169 0 40 DIAB CC(C)Oc1ccc(NC(=S)NC2CCCCCC2)cc1 225353963 AMRYGMYPYWVLBO-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB CSCCC(=O)c1cccc(OCc2cccc(F)c2)c1 575357790 YDMYSKHZNVKDNN-UHFFFAOYSA-N 304.386 4.341 0 40 DIAB O=C(CCc1cccc(Cl)c1)N1CC[C@@H](c2ccsc2)C1 670853440 NUMTVGNNOMEMEO-CQSZACIVSA-N 319.857 4.350 0 40 DIAB COc1cc2c(cc1OC)C(C)(C)c1cc(OC)c(OC)cc1-2 1875251942 XKJINHVJLNENRD-UHFFFAOYSA-N 314.381 4.027 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2ccc(C)c(C)c2)cc1 2517639 CSQVBTMPNMQNLA-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB C[C@@]12C[C@@H](c3ccccc3O1)N1Cc3ccccc3CSC1=N2 3592532 GOPKBGORRFGSNU-LPHOPBHVSA-N 322.433 4.345 0 40 DIAB Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1 4007953 WNJPSYHJVTYTBP-UHFFFAOYSA-N 322.393 4.215 0 40 DIAB Cc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(C)c1 5938036 PASFFGOFOKRYJQ-UHFFFAOYSA-N 318.442 4.089 0 40 DIAB NC(=O)c1ccccc1OCc1ccc(-c2ccccc2)cc1 6607872 HDOCLAZMNBUBGF-UHFFFAOYSA-N 303.361 4.032 0 40 DIAB CC[C@H](C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 6657796 IHKFANIBBSIACI-SUMWQHHRSA-N 307.397 4.331 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1ccc(F)c(Cl)c1 7132591 VWKIUVQQWOTWNS-UHFFFAOYSA-N 321.779 4.449 0 40 DIAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c1 7814268 UJYWLQHCVOGCCI-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 8764183 VGJYKNYBTUYNKP-UHFFFAOYSA-N 321.767 4.034 0 40 DIAB Cc1ccc(-n2ccnc(SCc3ccccc3C)c2=O)cc1 9320348 RDCKOGQFELGTPE-UHFFFAOYSA-N 322.433 4.142 0 40 DIAB Cc1ccc(-n2c(SC(C)C)nnc2-c2ccncc2)cc1 10729922 YLRVTOPZNCDGCG-UHFFFAOYSA-N 310.426 4.138 0 40 DIAB Cc1ccc2cccc(NC(=O)COc3ccc(C)c(C)c3)c2n1 15835266 ONNMLDZNSGZGEE-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB CN(C(=O)CSc1nc2ccccc2s1)C1CCCCC1 25056428 SUUSCTWPHVYTLK-UHFFFAOYSA-N 320.483 4.180 0 40 DIAB O=C(Nc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 26504907 MMWIMYSOXYORSA-UHFFFAOYSA-N 315.800 4.027 0 40 DIAB CCCSc1ncc(Cl)c(C(=O)Oc2ccc(C)cc2)n1 27995479 XJKYEGGPAJGZKT-UHFFFAOYSA-N 322.817 4.160 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1F 28210607 NGXFRJHSLLXFFQ-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 30751626 BOGLSBHDACABKY-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB Cc1c(C(=O)N[C@H](C)c2cccc(Cl)c2)cnn1C(C)(C)C 32932160 VWDDJOIAYKBKRA-LLVKDONJSA-N 319.836 4.091 0 40 DIAB CCOc1cc(CO)ccc1OCc1ccc2ccccc2c1 34772920 OHNNQONMHCRHSM-UHFFFAOYSA-N 308.377 4.310 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C)c1 38754193 FDDWTNZCEUZUBO-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 40108607 DFXHPGKYHDGLNP-KXBFYZLASA-N 309.409 4.100 0 40 DIAB C[C@@H](Nc1ccc(F)c(F)c1)c1nnc(-c2ccccc2)o1 44874318 APZONXIFITVFGQ-SNVBAGLBSA-N 301.296 4.188 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(Br)cc2C)o1 57353755 CSOPESRSRUQABD-UHFFFAOYSA-N 309.159 4.194 0 40 DIAB CC(C)c1cc(C(=O)OCCc2ccccc2)nn1C(C)(C)C 59271301 GHCWCJABIUTJIL-UHFFFAOYSA-N 314.429 4.161 0 40 DIAB CCOC(=O)c1ccc(Nc2ccnc3cc(F)ccc23)cc1 64874563 HNEPHMGIXLACFB-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB C[C@H](Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl 66352145 IEKMAKBQCRKWLS-ZETCQYMHSA-N 301.148 4.250 0 40 DIAB O=c1c2sccc2nc(SCc2ccccc2)n1C1CC1 67259737 WRVSEUUAWZVTHC-UHFFFAOYSA-N 314.435 4.085 0 40 DIAB Cc1nc(N2CCc3ccccc32)ccc1C(=O)c1ccccc1 72224984 PJNDLGGPUZFQAX-UHFFFAOYSA-N 314.388 4.315 0 40 DIAB C[C@@H](NCc1cccc(O)c1)c1nc(-c2ccccc2)cs1 75134331 GXOCCIUPMOEFGW-CYBMUJFWSA-N 310.422 4.367 0 40 DIAB CN1CCCN(Cc2cccnc2Cl)c2cc(Cl)ccc21 95401498 WWZXODSUIDGJGL-UHFFFAOYSA-N 322.239 4.235 0 40 DIAB O=C(O[C@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC=CCC1 95947924 DYPHUOIRNXXCII-RDTXWAMCSA-N 311.356 4.210 0 40 DIAB CC(C)CC(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116116 VYVIIZWBVONXJX-AWEZNQCLSA-N 304.821 4.361 0 40 DIAB biogenic COc1cccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1 102730929 YLHQXJHCRMVPIO-MRXNPFEDSA-N 310.353 4.206 0 40 DIAB Cc1nc(-c2cccc(NC(=O)CC(F)(F)F)c2)cs1 122939143 LFRYAVUOGXOUHT-UHFFFAOYSA-N 300.305 4.009 0 40 DIAB CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 129113805 IBNRFAZVNYYDCW-QWHCGFSZSA-N 314.351 4.202 0 40 DIAB CCOC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)on1 142110238 BNAYAAKONRQSIH-UHFFFAOYSA-N 309.321 4.311 0 40 DIAB CC[C@@H](NC(=O)Cc1ccccc1)c1ccc2c(c1)CCCC2 223015959 LOWLKCCKOGOHDC-HXUWFJFHSA-N 307.437 4.375 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc(F)cc1 224447849 NTJAGGBQSVJSQF-YOEHRIQHSA-N 309.425 4.316 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225070997 XMHPSDLMUPZUTH-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)C(C)(C)C 226287480 QSTATPYIHPUJJC-UHFFFAOYSA-N 322.408 4.140 0 40 DIAB CC(=O)N1CCCCCCN(CCC(C)C)Cc2ccccc21 643563477 XBJDKPBBDBZFQW-UHFFFAOYSA-N 316.489 4.462 0 40 DIAB CSc1c(CC(=O)Nc2ccccc2)n(C)c2ccccc12 36668 CMQCILKLCYYXPO-UHFFFAOYSA-N 310.422 4.081 0 40 DIAB COc1cc(OC)c2c(=O)c(-c3ccc(Cl)cc3)coc2c1 58158 NHBKLDBTZIZBMJ-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB biogenic CC(C)(C)c1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 342884 PWXOXUZZOQNLIC-SFQUDFHCSA-N 323.367 4.468 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c(C)c1 364920 XSHMNTHPFCDUMP-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1 514872 UMYVUTSKHQEZCX-UHFFFAOYSA-N 308.425 4.097 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(C)c1 557909 MEZXZUMZLMFMLI-UHFFFAOYSA-N 310.397 4.150 0 40 DIAB Cc1cc2ncn(-c3ncnc4sc5c(c34)CCC5)c2cc1C 1098279 VTJROCMLIUUOGB-UHFFFAOYSA-N 320.421 4.136 0 40 DIAB CC(C)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 4079122 MJQSUZMTKRUJEV-UHFFFAOYSA-N 319.474 4.207 0 40 DIAB CC(/C=C1\N=C(c2ccccc2C)OC1=O)=C\c1ccccc1 4644450 RJICTKFKKNJDGF-COVZNBLNSA-N 303.361 4.286 0 40 DIAB CCCC(=O)N[C@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 4774811 GZJBFSXBJAEHTR-LBPRGKRZSA-N 323.651 4.020 0 40 DIAB CCn1cc(NC(=O)NCCc2ccccc2)c2ccccc21 5266067 LWDGUINLSVIEMW-UHFFFAOYSA-N 307.397 4.025 0 40 DIAB Cc1ccsc1C(=O)NCCc1ccc(Cl)cc1Cl 6558021 CBRAHOHSEYJRCH-UHFFFAOYSA-N 314.237 4.336 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)no1 6761906 WMBBHEJDRPJERU-OLZOCXBDSA-N 318.804 4.368 0 40 DIAB CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccs1 7078099 WTMIBZGIACKMSU-SFHVURJKSA-N 312.438 4.285 0 40 DIAB CC[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1 8128824 ZVHQORPNPMFUTD-KDOFPFPSSA-N 314.404 4.202 0 40 DIAB Fc1cccc(CSc2nc(-c3ccccc3F)n[nH]2)c1 8403778 ZGJOZGWNYBQUIC-UHFFFAOYSA-N 303.337 4.042 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NC2CCCCCCC2)c(C)c1 8495945 CIOQKUPOEQVNJX-MRXNPFEDSA-N 303.446 4.300 0 40 DIAB FC(F)(F)Oc1ccc(-c2noc(-c3cccs3)n2)cc1 9134412 STEAVLUJQPZDLV-UHFFFAOYSA-N 312.272 4.364 0 40 DIAB CCOc1cc2ccccc2cc1C(=O)NOCc1ccccc1 10319603 TZTHVGULVFFPIG-UHFFFAOYSA-N 321.376 4.100 0 40 DIAB CCOc1cccc(CNC)c1OCc1ccc(Cl)cc1 13717511 BYEFUGJJMBHWHW-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB O[C@H](CSc1ccccn1)c1ccc(Cl)cc1Cl 16545982 FQUGUCGOGCVRGO-GFCCVEGCSA-N 300.210 4.214 0 40 DIAB CCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736625 BWZBSSDGGQGTOK-UHFFFAOYSA-N 316.376 4.229 0 40 DIAB C[C@H](C1CC1)N(C)C(=O)Cc1coc2ccc3ccccc3c12 25472322 BLDQHWFDMJXDDA-CYBMUJFWSA-N 307.393 4.385 0 40 DIAB FC(F)n1c(CSc2nccn2C2CC2)nc2ccccc21 25639985 MFJKBTXPMSMUFO-UHFFFAOYSA-N 320.368 4.255 0 40 DIAB O=C(Nc1ccccc1N1CCc2ccccc21)c1ccco1 31532105 DUYMWFPKRXTCDC-UHFFFAOYSA-N 304.349 4.226 0 40 DIAB COc1cccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)c1 40177097 HLXNKQTUVZVGQD-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1F 44850471 VYTZJSLWJWDGDD-MRXNPFEDSA-N 305.324 4.069 0 40 DIAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(Cl)nc1Cl 60098555 GWPNFRFKJQPJCK-UHFFFAOYSA-N 321.085 4.058 0 40 DIAB CC[C@H](O)CCCNC(=O)c1sccc1-c1ccc(C)cc1 72306625 LSJBMGHPJNTGPA-HNNXBMFYSA-N 317.454 4.004 0 40 DIAB CCN(Cc1nnc(-c2ccccc2)o1)[C@H](C)c1cccc(O)c1 80931146 FRUIFGPOMBYKAA-CQSZACIVSA-N 323.396 4.025 0 40 DIAB Cc1csc([C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 95403015 GOOLHHPGPUFJHJ-DRZCJDIDSA-N 302.443 4.409 0 40 DIAB Cn1c(C(=O)Nc2cccc3[nH]ccc23)cc2cc(F)ccc21 95480513 ZYHYFFJUPYJANB-UHFFFAOYSA-N 307.328 4.051 0 40 DIAB C[C@@H](Nc1ccccc1)c1ccc(OCc2nccn2C)cc1 95969390 KRLYXEYVUZHCKM-OAHLLOKOSA-N 307.397 4.172 0 40 DIAB c1ccc(-c2nc3n(n2)C2(CCCC2)Nc2ccccc2-3)cc1 97159113 QFPBYKYEXVDMJS-UHFFFAOYSA-N 302.381 4.264 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@H]1CCSc2ccccc21 97159302 GNDJXACZESXLSU-AWEZNQCLSA-N 301.459 4.034 0 40 DIAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccncc2)CCC1 101815043 GMQVAEPBORNVRN-GOSISDBHSA-N 316.364 4.103 0 40 DIAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1C[C@H]2CC[C@H]1C2 106925320 YEQUGIJYZILWFP-XJIUQZFPSA-N 317.860 4.313 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923638 IBMZAHKIAAJREF-NFJVIFTASA-N 318.501 4.307 0 40 DIAB C[C@@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 118927348 JGPUZUZZOULXJW-CQQICQOQSA-N 320.517 4.387 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223489798 ZJCXECOTMWRYPJ-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)cc1 225649460 FNBKCIUSEGHQAG-SFHVURJKSA-N 305.418 4.152 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1Cl 225687241 CVVOKQNAMZNIPG-INIZCTEOSA-N 313.825 4.273 0 40 DIAB C[C@@H]1C[C@@H]2CC(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H](O)CC[C@@H]3[C@H]12 253617482 OTTDRBNUMLADAX-WNBYCJHFSA-N 304.474 4.205 0 40 DIAB Cc1cccc(NC(=O)CSc2cccc3ccccc23)n1 409177654 BNXUSNUWTDESAT-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Cc1cccc([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)c1 543414276 VWPWXFMQDIBUAJ-MRXNPFEDSA-N 323.465 4.436 0 40 DIAB CC(C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575243017 GNBWSNSUHYALDC-UHFFFAOYSA-N 311.097 4.186 0 40 DIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(C)c1 1565524187 FFBBCOFSFVRGMP-UHFFFAOYSA-N 311.410 4.057 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCC(C)C 30400 NCYYMXUPHPINOC-UHFFFAOYSA-N 306.793 4.079 0 40 DIAB CC(C)(C)c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 116736 PWCAZGIYSNGDTA-UHFFFAOYSA-N 322.360 4.310 0 40 DIAB O=c1oc2ccc(Cl)cc2cc1-c1nc2c(s1)CCCC2 379076 JEDBYJJICXKGRH-UHFFFAOYSA-N 317.797 4.449 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1 385019 KUVPDRQLPYBWHJ-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB CCCSc1nc(N)c2c3c(sc2n1)CO[C@@H](CCC)C3 2223667 ROWJZBKMVVNVGF-VIFPVBQESA-N 323.487 4.017 0 40 DIAB Cc1nc(N2CCc3ccccc32)c2c3c(sc2n1)CCC3 3296582 CFQFCOIRLLZJJI-UHFFFAOYSA-N 307.422 4.183 0 40 DIAB CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3482977 JOVSFRGIGWEBSN-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB C[C@]1(CO)CCC[C@]2(C)[C@@H](CCc3ccoc3)[C@H](CO)CC[C@H]12 4073757 XAXWAJGTWLGWSN-CENDIDJXSA-N 320.473 4.036 0 40 DIAB biogenic Cc1cc(C)cc(CSCC(=O)Nc2ccccc2F)c1 7208934 BMSZBPACIXXZIO-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1cc2ccccc2[nH]1 11177243 NGPWZGNDYKIJST-UHFFFAOYSA-N 304.393 4.020 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c2ccccc12 12291309 AJLMATQXDHBQQJ-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB Cc1[nH]c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2c1C 12982525 GDNCSYSFSRSTOP-CYBMUJFWSA-N 306.409 4.318 0 40 DIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccccc1C)N3 15502438 ZITXGRHEDJTITL-INIZCTEOSA-N 323.421 4.076 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 15519615 IDHYGGVQOKQEJQ-CYBMUJFWSA-N 315.438 4.377 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2C)c1 18832299 VZYNIXGHICUGDQ-UHFFFAOYSA-N 311.425 4.122 0 40 DIAB CSc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1 20112182 YEZAKLOIGKBRMX-UHFFFAOYSA-N 305.830 4.334 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C)ccc1OC 20457014 CBROREFGMXUKJV-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB CC[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 21392694 YEHDTEZPMOEVOP-KBXCAEBGSA-N 311.450 4.013 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1 22527376 YHAYQDXVDNOXPH-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1C 22530148 GSJUHASLWASVJC-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB Cc1cc(C)nc(N2CCC(c3nc4ccccc4s3)CC2)n1 24053678 RTLPAIVVGRQHNR-UHFFFAOYSA-N 324.453 4.087 0 40 DIAB COC(=O)[C@H]1CCCCN1Cc1sc2ccccc2c1Cl 27562796 YJXKUGFFRBKDRT-GFCCVEGCSA-N 323.845 4.082 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1 30867664 GUBQZTGHFGJUMW-INIZCTEOSA-N 313.466 4.414 0 40 DIAB O=C(Cn1ccc2cc(Cl)ccc21)Nc1ccc2cc[nH]c2c1 32091800 XNJSZXSWSDMIKC-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB O=C(/C=C/c1ccccc1)N(Cc1cccc2[nH]ccc12)C1CC1 32096174 INERFNKPMVMHJC-FMIVXFBMSA-N 316.404 4.372 0 40 DIAB COC(=O)c1ccc(CSc2nc3ccccc3s2)s1 36612094 BJMSGOXJVZPKOE-UHFFFAOYSA-N 321.448 4.437 0 40 DIAB COc1ccc(NC(=O)N[C@]2(C)CCCc3ccccc32)cc1 58245304 DDZGJLZBMBYPJN-LJQANCHMSA-N 310.397 4.068 0 40 DIAB C[C@@H]1CCCCN1C(=O)COc1ccc(-c2ccccc2)cc1 59843212 INZKTXAFXRRCML-MRXNPFEDSA-N 309.409 4.133 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2cc(F)ccc2C)c1 71761573 ZZEPYYIDIMSECD-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB COc1cc(CO)c(Cl)cc1OCc1ccccc1Cl 95095036 XKGQXTZKWIYGIY-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB FC(F)(F)[C@H](OC[C@H]1CO1)c1cccc(Cl)c1Cl 95095900 AMEMVQAREBLVMN-LHLIQPBNSA-N 301.091 4.012 0 40 DIAB Cc1c(Cl)cccc1[C@@H](O)c1ccccc1Br 95730136 ZDMFTIUQJGVEQN-CQSZACIVSA-N 311.606 4.493 0 40 DIAB O=C([C@@H]1CC=CCC1)N(Cc1ccc(F)cc1)CC(F)(F)F 95961487 PFDXMWQRGQKCPS-CYBMUJFWSA-N 315.310 4.073 0 40 DIAB CCCCC[C@@H](CN(C)C)[C@H](O)/C=C\c1ccccc1Cl 104143265 JWECFDHHHFPOGP-MZVJFUNZSA-N 309.881 4.472 0 40 DIAB CC1(C)[C@@H](C(=O)CCN2CCc3ccccc3C2)[C@@H]2CC[C@@H]1C2 104199519 MLTMAMPTDYDEJA-YVWKXTFCSA-N 311.469 4.076 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1 225320794 YXIVENJBSGBFOC-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB O=C(NCCCOC1CCCCC1)c1ccc2c(c1)CCCC2 225632259 MTNZDKNMCIAEFI-UHFFFAOYSA-N 315.457 4.035 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1ccccc1F 390831837 VJBNMFXFADZDAK-ZDUSSCGKSA-N 309.450 4.352 0 40 DIAB NC(=O)/C=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 409416302 XUDYEWIUBKBCPR-UTCJRWHESA-N 315.678 4.117 0 40 DIAB C=Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1 551587337 FECVGRRFSHVHBS-UHFFFAOYSA-N 314.388 4.322 0 40 DIAB CCCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12 1713477 FEMYLSRAIUUCNB-UHFFFAOYSA-N 310.349 4.127 0 40 DIAB biogenic,in-vitro O[C@@H](c1cc(C2CCCCC2)nc2ccccc12)[C@H]1CCCCN1 1729642 TXNJKGIJVCAFQP-CTNGQTDRSA-N 324.468 4.458 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1cccc(C)c1C 2517429 UKGQAFKMICXSFA-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 2647702 IWWCXZAGAOEOAG-NSHDSACASA-N 324.207 4.250 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1ccnc2ccccc12 3213860 ZSUHDOUVFKUCTA-UHFFFAOYSA-N 305.362 4.097 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](NCC(C)C)c2ccccc2)c1 3280658 JJABEPMTENYPQK-LJQANCHMSA-N 310.441 4.229 0 40 DIAB CCCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1O 4026262 YXTVXWTULRQUEF-UHFFFAOYSA-N 310.349 4.222 0 40 DIAB biogenic Cc1ccccc1[C@@H]1CC(=O)c2cnn(-c3ccccc3)c2C1 5451776 PCUGLKJRHFBOMP-HNNXBMFYSA-N 302.377 4.093 0 40 DIAB Cc1ccc(-c2cc(=O)nc(Nc3ccccc3Cl)o2)cc1 5617900 AUYHUQJAXIMBAY-UHFFFAOYSA-N 312.756 4.407 0 40 DIAB Brc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 6338267 TVHKQXMLDIBIFU-CQSZACIVSA-N 319.227 4.146 0 40 DIAB Cc1cccc(OCCCNCCc2ccc(Cl)cc2)c1 6584683 CVRLCSGMZITJJE-UHFFFAOYSA-N 303.833 4.250 0 40 DIAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1Cl 6789332 VAUAYVGTHZBMOT-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB Cc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)sc1C 6922310 PSTIPKZBSBFHSC-UHFFFAOYSA-N 303.471 4.311 0 40 DIAB CCC(=O)c1ccc(OCc2nc(-c3ccccc3C)no2)cc1 7420122 NVCQOFAYAWRXFD-UHFFFAOYSA-N 322.364 4.217 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 8368441 RSZBMGRLIBQOHQ-WMZOPIPTSA-N 308.425 4.130 0 40 DIAB O=C1c2ccccc2NC2(CCCCC2)N1Cc1ccccc1 9314608 YHONKGMOGDDZOI-UHFFFAOYSA-N 306.409 4.415 0 40 DIAB C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1cccs1 9455380 JJNGUQHVGFEMNH-LLVKDONJSA-N 316.451 4.168 0 40 DIAB CCCC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1 13115475 WRNGUHQJLBCNDG-UHFFFAOYSA-N 305.381 4.278 0 40 DIAB CCOc1ccc(NCc2ccc(OCC)c(OC)c2)cc1 32186693 UYVFECIEKMOCGX-UHFFFAOYSA-N 301.386 4.105 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1ccc(F)cc1 32924129 NRJJYSODJLUTJD-SNVBAGLBSA-N 306.406 4.205 0 40 DIAB Cc1ccccc1/C=C1/CCn2c1nc1cc(Cl)ccc1c2=O 33466916 QRFMCFFBMSERIS-UVTDQMKNSA-N 322.795 4.303 0 40 DIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCCCC1 51086111 MGHNXXJBACJRLB-MRXNPFEDSA-N 308.425 4.486 0 40 DIAB Clc1ccc(N2CCN(C3=Cc4ccccc4CC3)CC2)cc1 55145572 GHFPGXRPMJSKJE-UHFFFAOYSA-N 324.855 4.449 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCC2CC2)cc1 65627416 VUMQWXXJWTVOOO-UHFFFAOYSA-N 307.393 4.216 0 40 DIAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1 67889846 NMXIBISYYQMGET-CJNGLKHVSA-N 320.477 4.137 0 40 DIAB biogenic,in-vitro C[C@@H](c1cccc2ccccc12)N(C(=O)Cc1ccon1)C1CC1 73055005 TWYHEHMPAMDPQA-AWEZNQCLSA-N 320.392 4.123 0 40 DIAB CC[C@H](NC1CCSCC1)c1nc(C(F)(F)F)cs1 95968791 MKMXTQMSMBXLFV-VIFPVBQESA-N 310.410 4.098 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(COC)c2)cc1Cl 225186805 SJXBBMVJYFDBOD-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CCOc1ccc(CNC(=S)Nc2ccc(CC)cc2)cc1 225429910 WRUVEIPRBKTMAX-UHFFFAOYSA-N 314.454 4.134 0 40 DIAB CCOc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591224 SKQSGAALRWTDKS-UHFFFAOYSA-N 310.608 4.011 0 40 DIAB Cc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=O)oc12 226034579 RLTSCJDDSRSINP-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O=C(CCCCCl)c1c(F)cc(Br)cc1F 381534682 GHVPOBRQCPGNHH-UHFFFAOYSA-N 311.553 4.319 0 40 DIAB Cc1ccc(-c2nnc(OC[C@H]3CCCO3)c3ccccc23)cc1 472547 VFCAAOBNOHGTKZ-MRXNPFEDSA-N 320.392 4.163 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(Cl)cc1 1986127 ORTGCZRIIGQUOJ-UXBLZVDNSA-N 301.773 4.309 0 40 DIAB COc1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1 5443069 RJCAFJCQMZNFKO-UHFFFAOYSA-N 313.397 4.145 0 40 DIAB COc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 5538958 GCACQEFNDNOSOO-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB CCc1cc2c(=O)c(-c3ccc(Cl)cc3)coc2cc1O 5686754 NKFUWFJYZVCCAU-UHFFFAOYSA-N 300.741 4.381 0 40 DIAB biogenic C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(F)(F)F)c1 6824461 AQRDCUPITNPXGL-GXFFZTMASA-N 300.324 4.406 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2[nH]1 7941046 ZGFZZYQUIDLNJD-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB CC(=O)Nc1ccccc1OCCCOc1ccc(Cl)cc1 8286391 NPBAHEVYIPUJCX-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB Cc1ccc(CNC(=S)c2ccc(Br)cc2)cc1 9188163 JOXGUMSSFDOEHN-UHFFFAOYSA-N 320.255 4.223 0 40 DIAB CC(C)c1csc(NC(=O)c2ccc3ncsc3c2)n1 10637126 QWIJZGIYZYOHTK-UHFFFAOYSA-N 303.412 4.129 0 40 DIAB Cc1cc(-c2ccc(OCCCC(=O)O)cc2)nc2ccccc12 12544257 FHEDTDDISNKUMO-UHFFFAOYSA-N 321.376 4.454 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1c[nH]c2ccccc12 12805964 LHXGKWMVKDZICB-INIZCTEOSA-N 308.406 4.135 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1C 13582349 GCDAQNABWHEPFZ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB O=C(CCc1ccccc1Cl)Nc1ccc(F)c(F)c1F 21356277 SNHSPQRUAJDHIX-UHFFFAOYSA-N 313.706 4.329 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 31092123 BSVHKVFBELFETB-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl 32843763 CLSJEUCUNCNZOU-UHFFFAOYSA-N 323.223 4.335 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 33723038 MZCAHIWUINLHBJ-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccccc2)C1 36356942 YBAQTIUMJHPAGI-ZDUSSCGKSA-N 313.426 4.257 0 40 DIAB N[C@H](c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F 55205399 GOISPFRMQDHUCD-CYBMUJFWSA-N 301.695 4.287 0 40 DIAB Fc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 59475067 CBCWVAIJYJYJFI-UHFFFAOYSA-N 319.133 4.305 0 40 DIAB CCOC(=O)c1cccc(Nc2ccnc3cc(F)ccc23)c1 64874566 FGVOHIZVZCHSCL-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)cc12 71973208 PCOIFIVNARQEPO-UHFFFAOYSA-N 300.285 4.121 0 40 DIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C(C)C)cc1 72331733 NFTHAULKRVVCFF-UHFFFAOYSA-N 317.816 4.402 0 40 DIAB Nc1cc(-c2nc3cc(Cl)cnc3o2)cc(Cl)c1Cl 78406906 GQPRUFDHQFJVMU-UHFFFAOYSA-N 314.559 4.432 0 40 DIAB C[C@H]1CCCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 84697662 NFHKJHREPDZZKK-LBPRGKRZSA-N 314.351 4.037 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1occc1-c1ccccc1 89851229 UTYWPRKBCQIYRV-QGZVFWFLSA-N 319.360 4.200 0 40 DIAB CCCN(C(=O)c1sc2cccc(F)c2c1COC)C1CC1 95349783 QFHFOZIPFOXLDP-UHFFFAOYSA-N 321.417 4.201 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2ccccc21 222991588 NWDGBVALUAAUTQ-LJQANCHMSA-N 309.409 4.050 0 40 DIAB C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc2c(c1)CCC2 223198449 VQTPSQFUZPLALN-MRXNPFEDSA-N 323.436 4.212 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1C 223245353 RQMLQHMDMHLVPI-MRXNPFEDSA-N 323.436 4.048 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](C)c1ccccc1 224437660 FFCTXUQTRBPYNU-LPHOPBHVSA-N 311.425 4.072 0 40 DIAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224701317 CQBUOCVJXXECKA-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB COc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1C 224933204 ORJJYGKNVGXYDZ-IBGZPJMESA-N 323.436 4.130 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225020256 IBGYCAJYJCDUSD-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225473208 UBPAURLYCOQLFY-GFCCVEGCSA-N 318.417 4.272 0 40 DIAB FC(F)(F)c1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260658774 IQBFQDKKTVTVCK-OUJBWJOFSA-N 314.376 4.180 0 40 DIAB CC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 882077 AWHYLRNFKKEAPK-UHFFFAOYSA-N 322.433 4.406 0 40 DIAB CC(C)c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 2229793 NWHCPEHCLGFYRD-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB O=C(CCC1OCCCO1)c1cccc(Oc2ccccc2)c1 2581243 CKXJVACXQVQLQI-UHFFFAOYSA-N 312.365 4.205 0 40 DIAB C[C@H](Oc1ccccc1)c1ccnn1C(=O)Nc1ccccc1 3017447 CVYZCDZOISYKJO-AWEZNQCLSA-N 307.353 4.103 0 40 DIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC(F)F)cc1 3353811 IFSLGZNWNGFQLX-MRXNPFEDSA-N 317.335 4.095 0 40 DIAB COc1ccc(C)cc1NC(=O)Cc1cccc(C(F)(F)F)c1 3567280 WHWBNCIYNBIGJE-UHFFFAOYSA-N 323.314 4.204 0 40 DIAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C(Cl)=C4CC[C@H]3[C@@H]1CC[C@@H]2O 4217169 OZDDFAQVVGFDJP-YGRHGMIBSA-N 308.849 4.056 0 40 DIAB in-man C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 4655368 BFMZZSBHQOCQFQ-XIKSMUEASA-N 300.442 4.189 0 40 DIAB biogenic Cn1c(-c2cccc(Cl)c2)cnc1NCc1ccccc1F 4678167 FUSPFIKLCNWHKY-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 4715640 ARDMXZOHXCAEQQ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1OCC 5466547 AEFPQAASRGKISU-UHFFFAOYSA-N 321.323 4.015 0 40 DIAB COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1 5514692 DESONPYDTHLQPK-UHFFFAOYSA-N 303.361 4.199 0 40 DIAB COc1ccccc1NC(=O)c1cc(=S)[nH]c2ccccc12 6378656 HSWQFOBCVUXWRO-UHFFFAOYSA-N 310.378 4.158 0 40 DIAB Cc1cccc(NC(=O)CCc2nc3ccccc3s2)c1C 6402785 BJFNCWVRQPLXQF-UHFFFAOYSA-N 310.422 4.484 0 40 DIAB Cc1cccc(OCCC(=O)Nc2ccccc2N2CCCC2)c1 6552773 PRFGFFYQSOOEGM-UHFFFAOYSA-N 324.424 4.003 0 40 DIAB CCCOc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 6593515 PNFKLEDWDIIWSL-UHFFFAOYSA-N 313.441 4.030 0 40 DIAB CC(C)C[C@H](NC(=O)COc1ccccc1F)c1ccccc1 7037025 YTYRUEHONGABNK-KRWDZBQOSA-N 315.388 4.108 0 40 DIAB O=C(NCCSCc1ccccc1)c1ccc(Cl)cc1F 7117427 CBZJASBTWNNTCP-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB COc1ccc(-c2cc(NC(=O)c3ccco3)ccc2OC)cc1 9113199 WYONUNRJVBDNII-UHFFFAOYSA-N 323.348 4.216 0 40 DIAB Cc1cc2cc(CNc3ccc(Cl)cc3)c(=O)[nH]c2cc1C 12493437 GGWTZCBLILQVAS-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB CCCC(=O)Nc1ccc(-c2csc(NC3CC3)n2)cc1 12996893 XOONXHJWYPPHSM-UHFFFAOYSA-N 301.415 4.123 0 40 DIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 15198974 YQKRJYRTFAFVRA-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB CCc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 18941338 NXBDIABOGWPWSD-UHFFFAOYSA-N 321.405 4.209 0 40 DIAB Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)c2ccccn12 19240673 VOQCPYXNEWOBFE-QGZVFWFLSA-N 323.415 4.161 0 40 DIAB O=C1CS[C@@H](c2ccccc2)N1c1ccc(C(F)(F)F)cc1 19927054 XIHWMJZGARGDII-HNNXBMFYSA-N 323.339 4.484 0 40 DIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 20042381 LORPVBPYFIDPJE-OAHLLOKOSA-N 311.878 4.469 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)c1cc2ccc(F)cc2s1 20889624 CYEHFZBIMUWZIQ-UHFFFAOYSA-N 315.325 4.021 0 40 DIAB Cc1sc(-n2cccc2)c(C(=O)N(C)c2ccccc2)c1C 25452688 HJJFBMCADBCPDX-UHFFFAOYSA-N 310.422 4.432 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C 27220661 JWJXECVIFYDOET-BONVTDFDSA-N 321.804 4.246 0 40 DIAB CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 58017458 VHERMOQOBYRODS-QWRGUYRKSA-N 303.855 4.030 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351402 GRXMKOAXIFWTKC-PCUGXKRQSA-N 309.409 4.203 0 40 DIAB CN(c1ccccc1)c1ccccc1NC(=O)c1cscn1 63475784 SJGKNAPKNVOOCA-UHFFFAOYSA-N 309.394 4.163 0 40 DIAB CCCCNc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72213595 XNACDHSQXSWHQC-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB Fc1c(Cl)cc(I)cc1C(F)(F)F 77028482 BLTVLGYWOQCAIF-UHFFFAOYSA-N 324.442 4.103 0 40 DIAB COc1ccc2ccc(OC(=O)[C@H]3C[C@H]3c3ccco3)cc2c1 83970396 RUXBXEIRMDWBOM-SJORKVTESA-N 308.333 4.151 0 40 DIAB COc1cccc2c1CC[C@H]2N[C@@H](c1ncc(C)s1)C1CC1 95968575 GNKQOTINDNRGAV-NVXWUHKLSA-N 314.454 4.188 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)cc1F 113971031 DWCMMCSSHITLSZ-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(F)cc2)on1 127981565 AIGOGGCWGWCGBG-LBPRGKRZSA-N 322.339 4.072 0 40 DIAB O=C(c1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 207960390 QCLHUQQXVJVFIX-AWEZNQCLSA-N 303.402 4.297 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1C 225033998 DGGUBMIZAAYVEG-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 225470102 KBVGLWOFKCPRHB-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 119248 RCKRPVFRZBPNEU-UHFFFAOYSA-N 308.353 4.105 0 40 DIAB CCOC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 120815 HYHCZPDOSLARAB-UHFFFAOYSA-N 317.197 4.370 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 579744 ZFXMSTAOXZPZTL-JTQLQIEISA-N 310.180 4.399 0 40 DIAB Cc1cc(C)c(C(=O)c2cccc(Cl)c2C(=O)O)c(C)c1 1691209 NBXZNMNWMOLYSE-UHFFFAOYSA-N 302.757 4.194 0 40 DIAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2323859 BZTSMNIIIDBIHN-NWDGAFQWSA-N 311.809 4.196 0 40 DIAB Fc1cc(F)c2nc(N3CCc4ccccc4C3)sc2c1 4137901 YBSQBOBNTBDEJQ-UHFFFAOYSA-N 302.349 4.137 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@]43C)[C@H]1C/C(=N/O)C2=O 5529921 KGLKVWLSEPPSBO-VIGIZEJPSA-N 301.430 4.349 0 40 DIAB Cc1ccc(CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 6798174 XMLBLKRACDKSEM-NTEUORMPSA-N 315.419 4.293 0 40 DIAB Clc1cccc(OCc2nnc(-c3ccco3)o2)c1Cl 7419818 OBYQKARPHXCDJR-UHFFFAOYSA-N 311.124 4.215 0 40 DIAB COc1ccc(Cl)cc1CNC1C2CC3CC(C2)CC1C3 7524076 RUWYUTMKPNYAHG-UHFFFAOYSA-N 305.849 4.263 0 40 DIAB Cc1cc(C)c(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)c(C)c1 8267767 YIAGVNLOFHZFER-QZTJIDSGSA-N 314.473 4.062 0 40 DIAB O=C(NCc1ccc(F)cc1)c1cc(C2CC2)nc2ccccc12 8343963 RRWLCGRXZVRGAQ-UHFFFAOYSA-N 320.367 4.181 0 40 DIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(F)c(F)c1 12615105 WYHROWDMBFCOEP-LLVKDONJSA-N 312.319 4.004 0 40 DIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 12619641 QHCURNDBZBHRHX-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1 12994551 JDIPXXFUEISRBA-SNVBAGLBSA-N 301.292 4.202 0 40 DIAB C[C@@H](NC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 14184564 BCWPODDUMQOMTI-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(F)cc1 15335181 WBAHOXJETQZTGQ-CQSZACIVSA-N 323.367 4.063 0 40 DIAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(F)cc1 16316036 AONNLTSEYXIEDF-LBPRGKRZSA-N 318.417 4.272 0 40 DIAB COc1ccc(C[C@@H](NCc2ccco2)c2ccccc2)cc1 19735219 CVAZQOJFGUFCAC-HXUWFJFHSA-N 307.393 4.362 0 40 DIAB CCN(CC)C[C@@H]1c2ccccc2[C@@H](CNc2ccccc2)N1C 22858992 BFTKLTXWDUKHIE-NHCUHLMSSA-N 323.484 4.168 0 40 DIAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1cccc(Cl)c1 32913901 FDHHURJGBJIKJB-ZIAGYGMSSA-N 317.816 4.123 0 40 DIAB Fc1cc(F)c2c(c1)CCCN2Cc1nc2ccccc2o1 36754167 FPPMYRIJNRUICO-UHFFFAOYSA-N 300.308 4.059 0 40 DIAB C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(F)cc1 40150020 QIRUGQNYVDIRFH-CQSZACIVSA-N 312.388 4.265 0 40 DIAB Cc1c(F)cccc1NC(=O)c1ccc(Br)cc1 43322241 YGDBOULFGKKOAR-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB C[C@H](NC(=O)N(C)Cc1ccc2ccccc2c1)c1ccncc1 58298846 KJVDLWZEVLUHPT-HNNXBMFYSA-N 319.408 4.137 0 40 DIAB Cc1cncc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 73145208 AGQZIPSKWQDQKK-UHFFFAOYSA-N 320.396 4.097 0 40 DIAB FC(F)(F)Oc1ccccc1[C@H]1C[C@@H]1c1nc(C2CC2)no1 89813476 RAENOSSIBMQFMX-MNOVXSKESA-N 310.275 4.117 0 40 DIAB CCc1ccc2c(c1)CC(=O)N2c1c(F)c(F)cc(F)c1F 144084506 DZTYHNMGAJRMOV-UHFFFAOYSA-N 309.262 4.026 0 40 DIAB in-vitro Cc1ccccc1O[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O 225093103 JBWJJSFYETYUBQ-OAHLLOKOSA-N 324.298 4.089 0 40 DIAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(N)=S 226302984 ZDUWVDHQMROXHQ-UHFFFAOYSA-N 300.471 4.118 0 40 DIAB C[C@@H]1Oc2c(ccc3cccnc23)[C@@H](C)N1C(=O)c1ccccc1 408733736 PJBWENPZWOIDDN-KGLIPLIRSA-N 318.376 4.177 0 40 DIAB O=C(NCc1ccc(-c2cccs2)o1)Nc1cccs1 575609476 VXVMYRLAHPSYQN-UHFFFAOYSA-N 304.396 4.391 0 40 DIAB COc1ccccc1C(C)(C)NC(=O)C[C@@H]1C[C@H]1c1ccccc1 585081273 ORFKECIJSMRZCG-IRXDYDNUSA-N 323.436 4.240 0 40 DIAB CCCc1c2c(nn1-c1ccccc1F)CC(C)(C)CC2=O 107085 LYOCUMBIUVGJQC-UHFFFAOYSA-N 300.377 4.119 0 40 DIAB COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 190954 ARDXTNYXOIAXHF-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc2ccccc2c1 520009 SDZMMIWOBBRMHP-PDGQHHTCSA-N 317.319 4.323 0 40 DIAB Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c(C)c1 573503 JZIPRELWKMRVRJ-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB CCSc1ccc(C(=O)[C@@]2(C)Cc3ccccc3CN2)cc1 1589144 LGPRKQWPXZPGFU-LJQANCHMSA-N 311.450 4.086 0 40 DIAB O=C(Oc1ccccc1)[C@H]1CCCC[C@@H]1C(=O)Oc1ccccc1 1600493 UWCBUHNOZSDFEU-ROUUACIJSA-N 324.376 4.004 0 40 DIAB O[C@@]12c3ccccc3[C@H]1CCCCCCCCCC21OCCO1 1634658 JIKKDOWIZOYPTG-YLJYHZDGSA-N 316.441 4.239 0 40 DIAB CC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1 3356397 AXZMSBVFPLGLRW-UHFFFAOYSA-N 309.369 4.015 0 40 DIAB CCCCCOc1ccc(CSc2nc(CC)n[nH]2)cc1 5825020 CPEASMDLDZFONU-UHFFFAOYSA-N 305.447 4.228 0 40 DIAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(F)cc3)c2c1 5986570 LPWZSRXQYZRSOH-UHFFFAOYSA-N 310.328 4.213 0 40 DIAB CCn1c(SCc2ccccc2C)nc2ccccc2c1=O 6094182 IBEISAUFWQBSKA-UHFFFAOYSA-N 310.422 4.017 0 40 DIAB O=C(CSc1ccc(F)cc1F)Nc1ccc2c(c1)CCC2 6879388 KVXDMHGCAYVJDY-UHFFFAOYSA-N 319.376 4.184 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1ccc2ccccc2c1O 8364002 UBVWPBJTAWXNJR-UHFFFAOYSA-N 319.316 4.044 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(F)cc2)c1 8371111 GXJRJJJCSQROND-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB O=C1Nc2ccccc2Oc2ccc(NC(=O)C3CCCC3)cc21 9827839 MEAQANSVPWYXFD-UHFFFAOYSA-N 322.364 4.173 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c(C)c1 10979525 QKGUADCEWQXTQX-UHFFFAOYSA-N 323.314 4.497 0 40 DIAB COc1ccccc1OCCC(=O)Nc1ccc(C(C)C)cc1 11637337 IGPHHMSNEUJLBV-UHFFFAOYSA-N 313.397 4.226 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 12872480 AXGLBZLPRTXUPW-MRXNPFEDSA-N 321.754 4.499 0 40 DIAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c2cccnc12 12923328 NMMPCNYTGBUUSB-QGZVFWFLSA-N 320.417 4.199 0 40 DIAB O=C(CCCC(=O)c1cccs1)Nc1cccc2ncccc12 12982044 ANOQVLMHAZSXNH-UHFFFAOYSA-N 324.405 4.288 0 40 DIAB CN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)c(Cl)c1 13060676 UMOYAVMMPYBDAA-UHFFFAOYSA-N 323.223 4.064 0 40 DIAB COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 13127317 KSGVQCLVXCCSCL-UHFFFAOYSA-N 300.745 4.111 0 40 DIAB O=C(OCc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12 14071264 YYDRIMWRWIVUNK-UHFFFAOYSA-N 321.163 4.227 0 40 DIAB C[C@H](NC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 17115582 QKXHKODJUGBYBO-LBPRGKRZSA-N 322.330 4.266 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 17354067 DOIUYMHEABAPBH-WWNBGZEGSA-N 302.458 4.413 0 40 DIAB biogenic C/C=C/c1ccc(OCCN2CCc3ccccc3C2)c(OC)c1 19815396 BHHYEQITHTZKMR-ZZXKWVIFSA-N 323.436 4.165 0 40 DIAB O=C(Nc1cccc2cnccc12)c1cc(Cl)ccc1F 21218993 GFRVJEFVYCXIAV-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CC[C@H](NC(=O)c1ccccc1F)c1ccccc1OC(F)F 27358966 STMGLWKKQNNKPU-AWEZNQCLSA-N 323.314 4.308 0 40 DIAB c1ccc2nc(SCc3ccc(-n4cccn4)cc3)cnc2c1 32778385 UJQZWQPQAXAANX-UHFFFAOYSA-N 318.405 4.108 0 40 DIAB CSCc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)oc2ccccc12 32997997 OKZFSHCCJSVVIK-CHWSQXEVSA-N 317.454 4.414 0 40 DIAB CC(C)(C)[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 40088638 IBXLXTZKBHWQHL-LJQANCHMSA-N 311.425 4.335 0 40 DIAB C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)c1cccnc1 48067690 UGYRGIGVCXTIOS-HUUCEWRRSA-N 323.440 4.082 0 40 DIAB CC[C@H](C)n1c(CCCCC(=O)O)nc2cc(Cl)ccc21 64874468 URJDMYGJCAYJBO-NSHDSACASA-N 308.809 4.458 0 40 DIAB Cc1nc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2n1C 74978203 WAPURXUORRMXQQ-UHFFFAOYSA-N 314.776 4.179 0 40 DIAB Fc1ccc(OC(Cl)(Cl)Cl)cc1Br 95215503 UOINNYSFFRHPQO-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB Fc1cc(OC(Cl)(Cl)Cl)ccc1Br 95215683 RITDWMGJFJOBFN-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 113959807 NPHYJFQVZUDGKB-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C 113970624 JCVLQKKKQVBKRT-IBGZPJMESA-N 311.425 4.086 0 40 DIAB c1ccc(-c2nsc(N[C@H]3CCO[C@H]3c3ccccc3)n2)cc1 195533518 QJBYPLUWEPHYEQ-HOTGVXAUSA-N 323.421 4.147 0 40 DIAB CCCc1ccc(C(=O)NC[C@H]2CCCN2c2ccccc2)cc1 211116301 PYIQBZAFQJJYCC-HXUWFJFHSA-N 322.452 4.038 0 40 DIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cccs1 222954713 AAGOGGSGLBNTPI-SECBINFHSA-N 322.227 4.102 0 40 DIAB CC(C)c1ccccc1OCCNC(=O)c1cc2ccccc2o1 223798524 LPPQABBVLSXVTR-UHFFFAOYSA-N 323.392 4.365 0 40 DIAB CCCCO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111326 XUUIGDZTHOXSTI-GOSISDBHSA-N 314.381 4.291 0 40 DIAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225480560 FXQXHFOIQCSLRS-CQSZACIVSA-N 306.381 4.403 0 40 DIAB CC(=O)Nc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 255189264 OSMSCLOIVHBPMT-UHFFFAOYSA-N 313.740 4.072 0 40 DIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cccs1 390826217 FROOCGGCZIDRRR-ZDUSSCGKSA-N 305.449 4.391 0 40 DIAB CCCc1sc(NC(C)=O)nc1-c1ccc(OCC)cc1 408835476 XPPZMFZLEURPSQ-UHFFFAOYSA-N 304.415 4.120 0 40 DIAB CC(C)n1ccc2c(NC(=O)CCCn3cccc3)cccc21 524735722 UOQNTWWVHLWMFZ-UHFFFAOYSA-N 309.413 4.443 0 40 DIAB CCCCc1ccc(C(=O)NCC[C@@H]2Cc3ccccc3N2)cc1 1505840697 RMNBRYUAMRAXIK-LJQANCHMSA-N 322.452 4.186 0 40 DIAB Cc1cccc(-n2c(C)nc3c(Cl)cc(Cl)cc3c2=O)c1 357900 KCWJQCKCIRRJID-UHFFFAOYSA-N 319.191 4.309 0 40 DIAB Cc1ccc(COn2c(-c3ccccc3)nc3ncccc32)cc1 1396598 JWSNTHSXWQEZAF-UHFFFAOYSA-N 315.376 4.036 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1OCC 2729916 JXIUZMDDIVTZNP-HNNXBMFYSA-N 321.461 4.429 0 40 DIAB O=C(CSCc1ccccc1)NCc1cccc2ccccc12 3147953 PSGHTOYWDUBLSV-UHFFFAOYSA-N 321.445 4.389 0 40 DIAB CC[C@@H]1CCCCN1C(=O)CSCc1ccc(Cl)cc1 3257937 DAMAHWBTDSQGCW-OAHLLOKOSA-N 311.878 4.364 0 40 DIAB Cc1csc(NC(=O)CCSc2ccc(Cl)cc2)n1 3562085 ZJAVCSCLZYPDET-UHFFFAOYSA-N 312.847 4.226 0 40 DIAB COc1cccc(-c2cnc(NCc3ccc(C)cc3)n2C)c1 4678471 UVQBXTLZSKNHIY-UHFFFAOYSA-N 307.397 4.016 0 40 DIAB COc1ccc([C@@H](CCNC(=O)c2cccs2)C(C)C)cc1 5055121 VROVGCLOFDJNSQ-INIZCTEOSA-N 317.454 4.316 0 40 DIAB CSc1cccc2sc(NC(=O)c3ccc(F)cc3)nc12 5299215 WQMKYYWZDHVARQ-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CCc1ncc([C@@](C)(O)c2ccc(C)cc2)n1Cc1ccccc1 5502423 GHYMSNSQIZIJJD-NRFANRHFSA-N 320.436 4.058 0 40 DIAB COc1cc2ncnc(Nc3c(C)cccc3C)c2cc1OC 5511117 BBFBTPZWSWZNCJ-UHFFFAOYSA-N 309.369 4.007 0 40 DIAB CCC[C@H](C)N(CC)CCNc1cc(OC)cc2cccnc12 5839073 OFRCZWKTAGPGSE-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB O=C(Nc1nccc(-c2cccs2)n1)c1ccccc1Cl 5867458 DXDDOTFZWBKORZ-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCCCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2)c1 6310354 VQWHMMGZSLWYKN-UHFFFAOYSA-N 324.424 4.201 0 40 DIAB O=C1CSC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N12 6475882 AJFMVGULQIHXGO-HNNXBMFYSA-N 314.797 4.006 0 40 DIAB Cc1ccc(C(=O)COc2cccc3c2OC(C)(C)C3)c(C)c1 6934666 PMONMXYZQWVVNB-UHFFFAOYSA-N 310.393 4.279 0 40 DIAB CCc1cccc2c(-c3csc(N[C@H](C)COC)n3)c[nH]c12 7763397 XZTLWKQQXZTNSP-LLVKDONJSA-N 315.442 4.301 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1 8140753 MAPNRCVSSXCFJR-UHFFFAOYSA-N 302.280 4.022 0 40 DIAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)cc1 8480529 QGRHXHNOZSLZPH-INIZCTEOSA-N 301.361 4.184 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1 8499030 ATZGDTPAYACGFM-AWEZNQCLSA-N 319.788 4.145 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12747281 XHSBOSKWERRFIM-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 13708321 DHDSZUJINCSCAJ-CYBMUJFWSA-N 309.340 4.385 0 40 DIAB Fc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)c(F)c1 13823334 RYVALRDGFFSPMU-HNNXBMFYSA-N 318.392 4.329 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(F)cc1 15332342 LPYOTCJTHRWTHZ-CQSZACIVSA-N 323.367 4.063 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(CC)cc2)n1 16752769 YFTKRKFAQMFXLL-UHFFFAOYSA-N 321.833 4.057 0 40 DIAB Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 19998766 WEBHYEQHXNAETD-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB COc1ccc(CO)cc1OCc1ccc(Cl)c(Cl)c1 20521729 VJQOUBINLMASJT-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB CC[C@H](CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 21705730 VXZDRBKXOKADMB-CQSZACIVSA-N 300.402 4.030 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 32522172 JBURVMJEVPLEND-HZPDHXFCSA-N 313.466 4.396 0 40 DIAB Cc1ccc(CN(C)C(=O)N[C@H]2CCc3ccccc32)c(C)c1 32802498 UPBXIMYJYAADNB-IBGZPJMESA-N 308.425 4.132 0 40 DIAB O=C(CCCOc1ccc(F)cc1)Nc1cccc2cccnc12 32906341 JHNSWTMIZBJNBA-UHFFFAOYSA-N 324.355 4.172 0 40 DIAB CSCc1cccc(NC(=O)c2cc3sccc3n2C)c1 40786275 RLYUXOZMLZAAPI-UHFFFAOYSA-N 316.451 4.355 0 40 DIAB Nc1cccc(Cl)c1NC(=O)c1ccc(Cl)c(Cl)c1 50352354 KNDKOSPGQYHYQE-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCOCc1ccccc1NC(=O)N[C@H](C)c1cc(C)oc1C 65416043 OBAZXXNGJFNPAC-CYBMUJFWSA-N 316.401 4.316 0 40 DIAB CN(Cc1ccc(F)cc1)c1ncnc2c1oc1ccccc12 68838381 FWBQCEQUDHSUAN-UHFFFAOYSA-N 307.328 4.152 0 40 DIAB CCc1ccsc1CNC(=O)[C@H]1C[C@H]1c1ccc(C)s1 75110338 CECXZHVJNFPSLM-OLZOCXBDSA-N 305.468 4.100 0 40 DIAB CCC(=O)Nc1nnc(C(c2ccccc2)c2ccccc2)s1 95116290 LIEUFAXUGSQDBV-UHFFFAOYSA-N 323.421 4.067 0 40 DIAB CC(C)C[C@@H](NCc1ccccc1-n1ccnc1)c1ccccn1 95420788 ABQJKDKIRNUCKK-LJQANCHMSA-N 320.440 4.144 0 40 DIAB C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O 118917812 IKXILDNPCZPPRV-VDBAHQDGSA-N 304.474 4.205 0 40 DIAB Cc1cnc(NC(=S)N[C@H](C)c2ccccc2)c(Cl)c1 223955421 SSVVDJLCYLSFDT-LLVKDONJSA-N 305.834 4.091 0 40 DIAB CC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225271303 RPQPNRJGQBHMGB-ZETCQYMHSA-N 310.772 4.444 0 40 DIAB CC[C@H]1N=C(C2CC2)c2cccn2-c2cc(OC)c(OC)cc21 225377748 MUCWGIGUCHNBCE-CQSZACIVSA-N 310.397 4.158 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225686771 MAOGPZCZGIRBTI-LJQANCHMSA-N 321.461 4.482 0 40 DIAB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1C1CCCCC1 408811063 LTGMKOCYJXUUKU-GDNBJRDFSA-N 318.442 4.276 0 40 DIAB COc1ccc(/C=C/c2ncc(C(=O)O)s2)c2ccccc12 523956212 DRMVMBBWECVJIZ-VQHVLOKHSA-N 311.362 4.174 0 40 DIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2ccccc2c1 383452 QHNFZAVGWCPJBY-UHFFFAOYSA-N 317.797 4.294 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 568264 APBYICBCDMZMTO-UHFFFAOYSA-N 316.832 4.434 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 1456750 VOYJZLPXBVTSMF-OXQOHEQNSA-N 323.436 4.427 0 40 DIAB CCOP(=O)(OCC)C(=O)c1ccc(C(F)(F)F)cc1 2144298 AZTRLHUDTSZWIP-UHFFFAOYSA-N 310.208 4.112 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1cc(OC(F)F)ccc1Cl 3209133 LRAWUMILEZJEAK-WQLSENKSSA-N 321.710 4.434 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(Cl)cc1 3237476 CWUJOEULFWYDMK-CHWSQXEVSA-N 311.878 4.363 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C)c(Cl)c1 3346542 ZQWYPIBBDMXBKX-GFCCVEGCSA-N 318.804 4.096 0 40 DIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 3614448 FPIMJESNDCTMTA-JTQLQIEISA-N 311.278 4.336 0 40 DIAB Cc1cccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)c1 4644526 MGGMBSPWCNAPRC-UYRXBGFRSA-N 313.356 4.493 0 40 DIAB O=C(Nc1ccc2ccccc2c1)C1=Cc2ccccc2OC1 5034264 JVDOYUQHRWIGRH-UHFFFAOYSA-N 301.345 4.254 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1cccc(Br)c1 5558288 UYBCGEPLVHPDAT-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CC(C)CCn1c(CNC(=O)c2ccccc2)nc2ccccc21 7545301 DHDYEYNQJMQBCW-UHFFFAOYSA-N 321.424 4.012 0 40 DIAB CCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8227192 RCTXZJFOYCCVDB-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB COc1cc(CC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1C 8705108 MXEOOJDYTMFZBY-CQSZACIVSA-N 323.392 4.170 0 40 DIAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9935269 FLNINWLLUMHYDV-ZDUSSCGKSA-N 319.364 4.034 0 40 DIAB COc1ccc(C(=O)O)cc1OCc1cccc2ccccc12 11962641 YAHNOMIFUAEXJS-UHFFFAOYSA-N 308.333 4.126 0 40 DIAB Cc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)c1 12553284 MEQDTPUTQDVYEK-UHFFFAOYSA-N 321.405 4.357 0 40 DIAB Cc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 12769618 DVDMCFIDFODYPC-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB O=C(Nc1cc(Cl)ccc1C(=O)O)c1cc2ccccc2o1 13186160 BOFHAZKIDVSWCY-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB CCCc1ccccc1NC(=O)CCn1cnc2ccccc21 24503368 OHKKKTZSJDHJSK-UHFFFAOYSA-N 307.397 4.018 0 40 DIAB Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1F 27583343 GQNUJDLGFCMAEX-UHFFFAOYSA-N 310.328 4.066 0 40 DIAB C[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 32907063 SEDNWHMGVIUORD-NSHDSACASA-N 303.789 4.471 0 40 DIAB O=C(O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3)c12 36617503 XPEJGVITUMJRBD-UHFFFAOYSA-N 316.316 4.255 0 40 DIAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)cc3)n2)cc1 49468027 NDUKDULISREQFJ-UHFFFAOYSA-N 320.396 4.177 0 40 DIAB CCOc1ccccc1CNC(=O)c1cc(Cl)ccc1Cl 53163198 IZGKJTKDOAGCOI-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB CC[C@H](c1ccccc1)c1nnc(SCc2ccncc2)o1 67952998 PGYPUYUTRYNYEJ-OAHLLOKOSA-N 311.410 4.299 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)no1 69539219 OBZGIDUDPQDQJX-UWVGGRQHSA-N 318.339 4.279 0 40 DIAB Cc1oc(-c2ccccc2)nc1CSC(=S)N1CCCC1 75476989 VMYBWBZUIVKYJP-UHFFFAOYSA-N 318.467 4.264 0 40 DIAB CC(C)[C@H](C)N(Cc1cnc(-c2cccnc2)s1)C1CC1 95453806 CMMWCJRDQCWFCG-ZDUSSCGKSA-N 301.459 4.214 0 40 DIAB Cc1cc(C)cc(NC(=O)NCc2cccc(N3CC=CC3)c2)c1 101392333 VOFGMAWSNBUSBG-UHFFFAOYSA-N 321.424 4.001 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1nc3ccccc3[nH]1)C2=O 222044061 BHTMTONVMPPLBO-NCHVAJSOSA-N 300.427 4.049 0 40 DIAB Cc1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1C 222781462 LESPFWBKRGRAIM-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB Cc1ccc(CSCC(=O)NCCSC2CCCC2)cc1 225379282 NIENAPWMEOFUKK-UHFFFAOYSA-N 323.527 4.020 0 40 DIAB CCCCOc1ncc(NC(=O)[C@@](C)(CCC)OCC)cc1C 225895376 LDMMSPQSCSVWLO-GOSISDBHSA-N 322.449 4.103 0 40 DIAB COC(=O)c1ccc(CCC(C)C)n1Cc1ccc(F)cc1 226025332 SUEXXDXYJHHBAJ-UHFFFAOYSA-N 303.377 4.051 0 40 DIAB Cc1cc(SCC(=O)Nc2ccccc2)nc2ccccc12 76450 JGJIRRNEVOEPKZ-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1Cl 352760 WUEIAKFRNLDGMZ-MSOLQXFVSA-N 319.832 4.372 0 40 DIAB CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 567730 UFFQVZHDIPJFDP-UHFFFAOYSA-N 308.164 4.183 0 40 DIAB O=P(NC1CCCCC1)(NC1CCCCC1)c1ccccc1 1737562 VHJONSPPAISPFW-UHFFFAOYSA-N 320.417 4.350 0 40 DIAB CSc1ccccc1NC(=O)CSc1ccc(F)cc1 2652954 JMXMSCFCQWMWLU-UHFFFAOYSA-N 307.415 4.278 0 40 DIAB Cc1ccc2c(CC(=O)N[C@H](C)CCc3ccccc3)coc2c1 3451681 MQUIWDMMXPKDMG-MRXNPFEDSA-N 321.420 4.421 0 40 DIAB CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1 4748350 HKXVOEHFQHSAGU-UHFFFAOYSA-N 320.421 4.058 0 40 DIAB C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1 5154834 WFGMBPRJTSZZAB-ZDUSSCGKSA-N 308.406 4.290 0 40 DIAB O=C(O)CCCCCCCCCCC(=O)CCCCC(=O)O 5287107 PXNSPZIJUVZDBI-UHFFFAOYSA-N 314.422 4.186 0 40 DIAB biogenic,in-vitro S=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 5593331 JPPROOKVBXUBCE-UHFFFAOYSA-N 311.237 4.480 0 40 DIAB CC[C@H](C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1 5938232 ABMDZOJVUFHOJW-NSHDSACASA-N 320.845 4.415 0 40 DIAB O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl 6095281 HYPJZSYXUWYJDG-UHFFFAOYSA-N 312.152 4.070 0 40 DIAB endogenous,world COC(=O)c1ccc(C)c(NC(=O)CCC2CCCCC2)c1 6235893 DLKYVBKBQYXPPE-UHFFFAOYSA-N 303.402 4.081 0 40 DIAB CCCCCCNC(=O)Nc1ncc(C(F)(F)F)cc1Cl 6264039 VIORZAHIMWPYJG-UHFFFAOYSA-N 323.746 4.456 0 40 DIAB Cc1cc(Br)ccc1NC(=O)Cc1cccc(F)c1 7304502 CNVFRDPHIYURDY-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB O=C1C[C@H](c2cccc(Cl)c2)c2c(-c3ccccc3)n[nH]c2N1 8994919 BOOAJPDDOPQUEP-CQSZACIVSA-N 323.783 4.204 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 12923958 CDCOOBWNLYHPOP-UHFFFAOYSA-N 307.393 4.085 0 40 DIAB Cc1cc2c(cc1C)C(NCCc1ccccc1)=NC(C)(C)C2 13624226 XWEOPWARTPPRSG-UHFFFAOYSA-N 306.453 4.217 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1Cl 14915670 NUHKYHKVMLTNOH-CYBMUJFWSA-N 319.857 4.278 0 40 DIAB CCCC(=O)Nc1nn(CCC)c2nc3c(C)cccc3cc12 16955696 YNUVMBOBDNAWNE-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C 20049475 AWKNGGAYNLMMKO-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)N1CCCCCCC1 20501364 NSHXIQOJDGIZPG-UHFFFAOYSA-N 300.229 4.329 0 40 DIAB CCCCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 25342949 GIXFYGDFDUMKRM-UHFFFAOYSA-N 320.433 4.344 0 40 DIAB CC(C)COc1ccc(C(=O)c2ccc(Br)o2)cc1 28294004 NNHYXUYROCLTKU-UHFFFAOYSA-N 323.186 4.308 0 40 DIAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 28907734 PXFNPIAYHXYQAB-CYBMUJFWSA-N 306.837 4.147 0 40 DIAB Cc1ccc2cc(C(=O)N[C@H](C)c3cccs3)c(C)nc2c1 32699297 AXSUCWAIKBFROP-CYBMUJFWSA-N 310.422 4.404 0 40 DIAB Fc1ccc(NCc2cc(CN3CCCCC3)cs2)cc1 45796097 KYQPJSGBKDJETF-UHFFFAOYSA-N 304.434 4.485 0 40 DIAB Clc1ccc(-c2cnn3ccc(-c4cccnc4)nc23)cc1 71405481 ZEBBPGYSLZZSKF-UHFFFAOYSA-N 306.756 4.112 0 40 DIAB CC[C@@H](Sc1nncn1CC(F)(F)F)c1ccc(F)cc1 71915121 NSLQTUDGAWASNN-LLVKDONJSA-N 319.327 4.223 0 40 DIAB Cc1cc(Cl)ncc1[C@H]1CCCCN1C(=O)c1ccccc1 72217877 LMZMZJFROQXNNX-MRXNPFEDSA-N 314.816 4.411 0 40 DIAB CCSc1ccc(Cl)cc1C(=O)N(C)c1ccccn1 84084262 NVGLDEPVIQOSRA-UHFFFAOYSA-N 306.818 4.124 0 40 DIAB Cc1cc(NCc2ccc(N3CCCC3)nc2)nc2ccccc12 95349264 XLVVFXGEJFLHII-UHFFFAOYSA-N 318.424 4.151 0 40 DIAB C[C@H](c1ccccc1)[S@](=O)c1ccccc1Br 97002335 RCZCCBJFGUBTNS-PIGZYNQJSA-N 309.228 4.318 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2Cl)cc1 105844489 ZHKSFDAMUKNTSL-CQSZACIVSA-N 301.817 4.458 0 40 DIAB CC(C)(C)c1ccc(O[C@H](Cc2ccccc2F)C(=O)O)cc1 225050916 VNLZAOZWQNZUSR-QGZVFWFLSA-N 316.372 4.198 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2ccc3c(c2)CCCC3)c1 225631404 GNNMEIKZZJWTGV-UHFFFAOYSA-N 323.436 4.283 0 40 DIAB CCO[C@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225725345 FSMSNIKRSFDADH-IBGZPJMESA-N 319.445 4.234 0 40 DIAB Cc1cnc(-c2ccc([C@@H]3CCCN(C(C)C)C3)nc2)s1 257208438 BMDVBOVEWUCOBU-OAHLLOKOSA-N 301.459 4.101 0 40 DIAB c1cc2c(-c3noc([C@H]4C[C@@H]4C4CCCCC4)n3)cc[nH]c-2n1 569191254 UWJLQLXXWPFZDP-CABCVRRESA-N 308.385 4.248 0 40 DIAB CSc1ncccc1C(=O)Nc1cc(Cl)ccc1Cl 515953 TWWXTCDMHUURLT-UHFFFAOYSA-N 313.209 4.363 0 40 DIAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1F 819106 RXHGKLGHSLKWFK-UHFFFAOYSA-N 317.314 4.117 0 40 DIAB OCc1cn(-c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 2544736 AJBQUPQTZZVKKP-UHFFFAOYSA-N 319.191 4.338 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 3479043 CQPUIOXYTJRAKN-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Fc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1 4741717 YFFGEMGUCOIGRI-UHFFFAOYSA-N 309.369 4.347 0 40 DIAB CCN(CC)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 4896651 KMUKWILEPMQMDL-UHFFFAOYSA-N 316.832 4.367 0 40 DIAB O=C1N(c2ccccc2)N=C2CCCCCCCCCC[C@@]12O 5518954 BTOHHITWUFDBAD-IBGZPJMESA-N 314.429 4.035 0 40 DIAB O=C(CSc1ccccc1)c1ccc(Br)cc1 5604173 TVCNXZGMRAWXRL-UHFFFAOYSA-N 307.212 4.424 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5856172 STDQQMYPJFOCIG-UHFFFAOYSA-N 322.364 4.342 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1ccc2c(c1)CCC2 6236269 IMHHIUAKZCLZJG-UHFFFAOYSA-N 303.764 4.149 0 40 DIAB COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 6809768 VBVKOMNVOZLDJF-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB CCc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 6811331 FAWHNRBCXZTCEE-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc1 7623681 QXAGNIWZZVZYBV-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB CC(C)C(NC(=O)c1ccc(CN2CCCCC2)cc1)C(C)C 10359698 PFIGWSZAAFXTFG-UHFFFAOYSA-N 316.489 4.083 0 40 DIAB C[C@@H](c1ccccc1)N(C)Cc1c(Cl)nc2sccn12 12799979 NYTLUAOCZCLWAI-NSHDSACASA-N 305.834 4.242 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccco1 12850158 MDRSAWAHZAXMQH-HNNXBMFYSA-N 322.408 4.237 0 40 DIAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C1 13004887 INNBUMMWGMJGSG-HOTGVXAUSA-N 321.420 4.036 0 40 DIAB FC(F)(F)c1cnc(N2CCc3sccc3C2)c(Cl)c1 14324417 XLWODONEZGTYNH-UHFFFAOYSA-N 318.751 4.378 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C 20460660 HYYPPUUCXRKVLS-INIZCTEOSA-N 317.816 4.122 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1 20484036 JXCGRORSSNXGEA-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB Cc1c2cnnc(Sc3ccc(Cl)cc3)c2c(C)n1C 25047297 CFNKIRZXXQSWTK-UHFFFAOYSA-N 303.818 4.390 0 40 DIAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1F 27662954 ACYSPEVDFWEDLE-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Sc2ccc(C)cc2)n1 27995508 GLNIOOSUISCULV-UHFFFAOYSA-N 324.858 4.483 0 40 DIAB COCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 32720266 ZYDFJFJYQBUXIO-UHFFFAOYSA-N 324.405 4.062 0 40 DIAB O=C(CCCc1cccs1)N(Cc1ccc(F)cc1)C1CC1 32744772 NIPSFZOHFCFSFW-UHFFFAOYSA-N 317.429 4.401 0 40 DIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 32796230 CILITMJCLJOKAK-MRXNPFEDSA-N 300.789 4.021 0 40 DIAB COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)cc1 38566771 IQNRWVZERHKBMM-MRXNPFEDSA-N 310.397 4.025 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccc(F)c1 40141178 PUGIXYHJZMCQSO-ZIAGYGMSSA-N 317.429 4.325 0 40 DIAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1 40144548 CSNICCXTQZLIPF-JTQLQIEISA-N 316.763 4.451 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCCCC1 44849194 YCLQQTVHNMUTJX-GOSISDBHSA-N 311.425 4.400 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 59351263 BPFSOXIUFYLHRF-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB CC(C)c1nn(C)c(Cl)c1CNC[C@H](C)c1ccccc1 71809759 CUEKYZWZQQDMPP-ZDUSSCGKSA-N 305.853 4.090 0 40 DIAB C[C@H]1CCN(C(=O)Nc2cccnc2Cl)[C@@H](c2ccco2)C1 75546540 XPFJCFNCRZMIPY-WCQYABFASA-N 319.792 4.333 0 40 DIAB O=C(CSc1nc2ccccc2o1)Nc1cccc2[nH]ccc12 95393798 NXNMCPWDBBXOLZ-UHFFFAOYSA-N 323.377 4.040 0 40 DIAB CC(C)Cn1ccnc1CN[C@H]1C[C@H](C)Sc2sccc21 95423176 DBGMRWJXRZIQSL-JSGCOSHPSA-N 321.515 4.316 0 40 DIAB CC(C)c1noc([C@H](C)Oc2ccccc2Br)n1 95961288 PAMNTVXJKJQCRJ-VIFPVBQESA-N 311.179 4.096 0 40 DIAB C[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@H](C)C2=C1[C@@H]1CC[C@@H]2C1 104295409 FTJRACLRIHXNNT-JRBZFYFNSA-N 316.466 4.231 0 40 DIAB O=c1oc2ccccc2cc1-c1ccccc1Br 216939416 BIIWEACSFWUWNZ-UHFFFAOYSA-N 301.139 4.223 0 40 DIAB CCC[C@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225381749 GVIAOYCCWXDWTD-JTQLQIEISA-N 315.280 4.233 0 40 DIAB Cc1ccc(SCCNC(=O)c2cc(C)c(C)cc2C)cc1 225639919 IUDYVRGLIKQTNJ-UHFFFAOYSA-N 313.466 4.442 0 40 DIAB COc1ccc(NC(=O)c2oc3ccccc3c2OC)c(C)c1 252509613 YRNMAZWTAQPXBD-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB CC1=CCC[C@@H]2[C@@H](C=C(C)CC1)OC(=O)[C@H]2CN1CCCCC1 254306845 BYFVAWVWHDPHGP-GBESFXJTSA-N 317.473 4.097 0 40 DIAB biogenic C[C@H](CCc1n[nH]c2ccccc12)N[C@@H]1CCCc2occc21 541154232 IBSRACKSWQIVQD-CZUORRHYSA-N 309.413 4.144 0 40 DIAB Oc1ccc(OC(F)(F)C(F)(F)c2ccc(F)cc2)cc1 1083809755 DCFKNWKSNXGTNN-UHFFFAOYSA-N 304.214 4.295 0 40 DIAB Clc1ccc(-c2nnn(-c3ccccc3)c2-n2cccc2)cc1 1889302866 SBFBEBNRFROOJD-UHFFFAOYSA-N 320.783 4.378 0 40 DIAB CC(C)CNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 115609 ACWCXGWKRPZWHM-UHFFFAOYSA-N 315.413 4.368 0 40 DIAB COc1ccc(C(=O)Oc2cc(C(C)C)ccc2C)cc1OC 365044 DQLJWPYPWRPUJV-UHFFFAOYSA-N 314.381 4.355 0 40 DIAB CCOc1nc(C)ccc1-c1noc(-c2ccccc2Cl)n1 498718 DLXALVRVZFBASU-UHFFFAOYSA-N 315.760 4.159 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 559761 NSHMXZIMNYGPBD-UHFFFAOYSA-N 308.425 4.484 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 569671 NZHMBTFPTJSLHY-UHFFFAOYSA-N 324.424 4.328 0 40 DIAB CCN(CC)CC(C)(C)[C@H](O)c1ccc(OC)c2ccccc12 1706376 CFLLSOPLOOHFGY-LJQANCHMSA-N 315.457 4.250 0 40 DIAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3)C(=O)O2)cc1 4611436 ILZIZVHRBVSUAY-LGMDPLHJSA-N 305.377 4.329 0 40 DIAB CC1=C([C@@H](C)O)CC[C@H]2[C@H]1C[C@@H]1[C@@H]2CC[C@H]2C[C@@H](O)CC[C@@]21C 4744210 YSSGDUVIZMUPCF-VTGOXVKTSA-N 318.501 4.307 0 40 DIAB O=C(Cc1ccccc1)Nc1ccc(Br)cc1Cl 6260090 BXRAFJQQIMOPQO-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 8105497 KLMNEYIUJRNHSN-UHFFFAOYSA-N 317.454 4.347 0 40 DIAB CCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 8227242 CPMHUJVGUMZYII-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB CCOc1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8713986 OXNFMHWGFLOBSH-CYBMUJFWSA-N 314.429 4.022 0 40 DIAB O=C(NCCc1cccs1)Nc1ccc(Cl)c(Cl)c1 9483557 ORCWCALMBJTVQW-UHFFFAOYSA-N 315.225 4.419 0 40 DIAB Cc1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 12493072 BNYBTSWURCFFAL-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCCC1 14251585 VPZSHMYSKNOKLR-UHFFFAOYSA-N 301.386 4.247 0 40 DIAB O=C(NCCCSc1ccccc1)Nc1ccc(F)cc1 14254665 XHHSLWLLZQOESA-UHFFFAOYSA-N 304.390 4.130 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(C)cc1 19931790 SHEFCKLDKNKYGR-AEFFLSMTSA-N 311.425 4.338 0 40 DIAB Cc1noc(-c2ccccc2NC(=O)c2cc3ccccc3o2)n1 22462469 IKDPXFDHFYPICX-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cccc(-n3cccc3)c2)cc1 23602425 UMDWXUCMAIOLIQ-UHFFFAOYSA-N 304.393 4.058 0 40 DIAB Cc1ccc(-n2ccnc2SCC(=O)c2ccccc2)cc1C 26044500 OHCLEGZGMSLPJO-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB Cc1ccc([C@H](NC(=O)c2cc(F)ccc2F)C2CC2)cc1 32865759 ZQRVTUPPILCXPY-KRWDZBQOSA-N 301.336 4.154 0 40 DIAB O=C(Nc1cccc(OC(F)(F)F)c1)c1c(F)cccc1F 32908719 HEPSEVGKUDTJHZ-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB Cc1cc(C(=O)N(C)Cc2ccccc2C)c2ccccc2n1 33000283 URBWNZWAPJVEPJ-UHFFFAOYSA-N 304.393 4.124 0 40 DIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@H](c2cccs2)C1 36354977 PPHVUJRKOSHAJZ-LBPRGKRZSA-N 313.357 4.197 0 40 DIAB O=C(O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127499 XLKVLNKLFFPKGZ-UHFFFAOYSA-N 308.120 4.500 0 40 DIAB C[C@H]1CCCCN1C(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838694 VPZGNICPHWXKPJ-AWEZNQCLSA-N 319.408 4.245 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)NCc2ccc(Cl)cc2)cc1 57999860 YJWOEFKJGYKMDQ-ZDUSSCGKSA-N 316.832 4.019 0 40 DIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C)nc1 71844284 PESRCGYUOCIALE-MOPGFXCFSA-N 308.425 4.188 0 40 DIAB FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCCN3)n2)cc1 72356432 YVDGEZSSHSPLMF-HNNXBMFYSA-N 306.331 4.116 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CC[C@@H]1c1ccccc1F 75103803 HFKVPPANJGIGKR-OAHLLOKOSA-N 304.752 4.458 0 40 DIAB Cc1ccc([C@H](C)CN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 91726810 FHTQKQZCHGYYOY-ZBFHGGJFSA-N 322.456 4.109 0 40 DIAB CC(C)N(C(=O)CCc1cc(Br)cs1)C(C)C 95956694 GGUSENIRDREZFQ-UHFFFAOYSA-N 318.280 4.089 0 40 DIAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(OC)cc1 113958329 MPGQUHFMIDYYKT-ZDUSSCGKSA-N 315.438 4.298 0 40 DIAB CCn1nc(-c2ccc(Cl)s2)c(Br)c1C 117889773 ZWCYOBPGMZYJQF-UHFFFAOYSA-N 305.628 4.356 0 40 DIAB CO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)c(C)c1)C1CC1 225645480 YZUHXJYBQLBNKY-IBGZPJMESA-N 317.429 4.070 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)c1 226356154 UMQCQMBNIJNIIH-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12 62335 HIXMUFMKWGCZIL-UHFFFAOYSA-N 309.365 4.130 0 40 DIAB CCOc1ccccc1NC(=O)c1cccc(Br)c1 288622 YNOKHXXEOXKHOU-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB Cc1cccc(-c2nn3c(Cc4ccccc4C)nnc3s2)c1 384959 MRZCHXMGIMCKJB-UHFFFAOYSA-N 320.421 4.060 0 40 DIAB CC(C)Cc1ccc([C@H](C)C(=O)NCCc2ccccc2)cc1 1006461 JEPJJTWGZBNJPF-KRWDZBQOSA-N 309.453 4.348 0 40 DIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)cc1 1778135 KTNKHWCVUZNYMU-VGOFMYFVSA-N 324.424 4.193 0 40 DIAB COc1ccc([C@H]2SC(=O)CN2c2ccc(Cl)cc2)cc1 3173482 CCQNFFSRVXMKKF-MRXNPFEDSA-N 319.813 4.127 0 40 DIAB CC1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 4575188 FDOCPVKQXNQULE-UHFFFAOYSA-N 300.427 4.237 0 40 DIAB Cc1cccn2cc(COc3ccc(Cl)c4cccnc34)nc12 4864594 FLHMJJYOHNOHBX-UHFFFAOYSA-N 323.783 4.423 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccncc1 5636344 WQSYWHZUYUXMFO-RYUDHWBXSA-N 320.845 4.093 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 6745899 IXVYZOJWFPKWKQ-LJQANCHMSA-N 324.424 4.176 0 40 DIAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F 7127463 SHKDCTIWHAEDEM-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CC(C)[C@H](NC(=O)CCc1ccccc1)c1nc2ccccc2[nH]1 7808511 ONCVAPGTTRJPCD-IBGZPJMESA-N 321.424 4.009 0 40 DIAB Cc1c(-c2nnc(S)n2-c2ccccc2)oc2ccccc12 9928065 OFRPGXVEOMZZGO-UHFFFAOYSA-N 307.378 4.278 0 40 DIAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1c(C)noc1C 12622565 BKKDWJFZQRBPBK-UHFFFAOYSA-N 320.820 4.251 0 40 DIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1cccs1)C(=O)O3 13226972 QBHDAINOHIARDP-UHFFFAOYSA-N 324.405 4.428 0 40 DIAB O=C(NCCc1cccc(Cl)c1)c1ccc(-n2cccc2)cc1 18105803 IWPYRDBEJYNGCT-UHFFFAOYSA-N 324.811 4.103 0 40 DIAB CN1C(=S)S[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 19632802 VWLWUCKZXTYFGA-CVEARBPZSA-N 314.479 4.279 0 40 DIAB in-vitro CC(C)c1ccccc1O[C@H](C)C(=O)NC(C(C)C)C(C)C 20042588 KGRDVNMFIZJSPM-OAHLLOKOSA-N 305.462 4.374 0 40 DIAB CCc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1C 22558526 OLUIHWUOTBJUJY-UHFFFAOYSA-N 321.424 4.163 0 40 DIAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCc2ccccc21 30038901 XGYVUTZXLFIPDU-UHFFFAOYSA-N 324.767 4.198 0 40 DIAB C[C@@H](SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1 30721494 OIPBWERABLMESV-ZCFIWIBFSA-N 312.382 4.021 0 40 DIAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)CCc2ccco2)c1 32716956 MBKMAWSGPJTCER-NSHDSACASA-N 323.845 4.406 0 40 DIAB O=C(CSc1ccc(Br)cc1)c1ccc(O)cc1 35044942 AXZOROWNUULIJL-UHFFFAOYSA-N 323.211 4.130 0 40 DIAB COC(=O)c1cc(Nc2ccc(OC)cc2)c2cccc(C)c2n1 38487128 JVOLZFKPTJTDEH-UHFFFAOYSA-N 322.364 4.082 0 40 DIAB CCC[C@@H](C)NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 42512702 USOWDNMWLPOCSG-VXGBXAGGSA-N 322.499 4.347 0 40 DIAB O=C(CCC1CCCCC1)N1CCO[C@H](c2ccc(F)cc2)C1 44709183 UBAVTGVYKHWJLS-SFHVURJKSA-N 319.420 4.086 0 40 DIAB O=C(c1ccc(Br)cc1)c1cncc2ccccc12 45028886 OQVNWFINVZHFLU-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB CCN(C(=O)c1occc1C)[C@@H](Cc1ccc(F)cc1)C(C)C 72303441 IQDCOVAVILKKRN-KRWDZBQOSA-N 317.404 4.457 0 40 DIAB CC(C)c1nc(C[S@](=O)[C@H](C)c2ccc(F)cc2)cs1 84631046 CDPYAFQHVQENRQ-BIBXISHDSA-N 311.447 4.416 0 40 DIAB Cc1cc(Cl)ccc1[C@@H](O)c1ccc(Br)cc1 95730313 NGJINZFKROVBQJ-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB O=C(CCc1cccc2ccccc12)Nc1ccc2c(c1)OCO2 222661975 PBUBVGPUCLFHTO-UHFFFAOYSA-N 319.360 4.140 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(Cl)c1 225733067 USTMPHLAHOIXNV-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB Cc1cc(C)cc(NC(=O)c2snnc2-c2ccccc2)c1 225759059 XFPIDCPAUHSVIE-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc(Cc2nnc(SCc3ccccc3F)[nH]2)cc1 226299433 ATBLCKNKIZHLSE-UHFFFAOYSA-N 313.401 4.135 0 40 DIAB CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 256454734 QTVNPWWLYMFLEI-MHSJKHHOSA-N 314.469 4.435 0 40 DIAB in-vitro O[C@@H](CNc1nc2ccccc2o1)c1csc2ccccc12 1775970845 SNOANIACSUIYEQ-AWEZNQCLSA-N 310.378 4.188 0 40 DIAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 222832 FMLDXYVQALNHEZ-IRXDYDNUSA-N 324.815 4.386 0 40 DIAB CCCc1nc2oc3c(Cl)ncnc3c2c2c1CCCC2 2339965 GYZYKVBGDUYGFL-UHFFFAOYSA-N 301.777 4.256 0 40 DIAB CC(=O)Nc1cccc(C(=O)Nc2cccc3ccccc23)c1 2632916 FVZLUISQDZDWBZ-UHFFFAOYSA-N 304.349 4.051 0 40 DIAB Cc1[nH]c2ccccc2c1SCC(=O)NC1CCCCC1 2718331 CEBBFUNTLVTBOE-UHFFFAOYSA-N 302.443 4.017 0 40 DIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)C1CCCC1 3448273 SWTCKCUTZKUNGF-UHFFFAOYSA-N 308.353 4.217 0 40 DIAB COc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 3607687 FDPDMVGLHRGWTB-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 4543292 ZPLGHHKDFSJMIF-BZNIZROVSA-N 312.438 4.035 0 40 DIAB C[C@@H]1CN(C(=O)c2ccccc2)c2cc(Br)ccc21 4963156 AHARVCBBKCFORH-LLVKDONJSA-N 316.198 4.213 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccn1 5269370 GUHSMQJRXQMTHB-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)COc1cccc(C)c1C 5437563 IZIIOLUZJSBTSL-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB CSc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 5443602 CPKDFYGSGHSVMR-UHFFFAOYSA-N 321.829 4.388 0 40 DIAB O=c1nc2n(c3cc(-c4ccccc4)sc13)Cc1ccccc1-2 5600096 LWTAESZUTAWRMW-UHFFFAOYSA-N 316.385 4.154 0 40 DIAB Cc1ccc2c(CC(=O)N(C)Cc3ccc(F)cc3)coc2c1 6787306 VNLIUFLPPIIHTC-UHFFFAOYSA-N 311.356 4.081 0 40 DIAB COc1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12 7990209 SNHRATKOAXSECW-CQSZACIVSA-N 305.377 4.339 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H]2CCCC[C@H]2C1 8368442 RSZBMGRLIBQOHQ-AEFFLSMTSA-N 308.425 4.130 0 40 DIAB CCc1noc(C)c1C(=O)Nc1nc2c(C)cc(C)cc2s1 8735589 CVOPZRQXAHVJTR-UHFFFAOYSA-N 315.398 4.024 0 40 DIAB Cc1cccc(C)c1NCc1cc2ccc(C)c(C)c2[nH]c1=O 12492942 FRCRFYXMUNQKGD-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB Cc1ccccc1CCNc1ncnc2sc3c(c12)CCC3 12620043 NNLLMQJDOUYALL-UHFFFAOYSA-N 309.438 4.143 0 40 DIAB CC(C)c1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1 12823571 JQJMRRQKVOZXEQ-UHFFFAOYSA-N 300.427 4.170 0 40 DIAB Cc1ccc(F)c(NC(=O)CCc2nc3ccccc3s2)c1 12931994 IYWQOAMUYJMYLY-UHFFFAOYSA-N 314.385 4.315 0 40 DIAB CC(C)c1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167588 HEWDQZDNYHUCOZ-UHFFFAOYSA-N 317.772 4.414 0 40 DIAB COc1ccccc1NC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 18174141 SCJMRUZVSJZSCN-CQSZACIVSA-N 324.424 4.457 0 40 DIAB Cc1c(O)ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c1O 18188334 FGAMUBHORSEGNI-UHFFFAOYSA-N 323.377 4.073 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc(CO)o2)cc1 20145046 PPERSJOPTYHZRI-AWNIVKPZSA-N 319.360 4.091 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1Cl 22532226 DINHPMLODLUMPI-INIZCTEOSA-N 319.788 4.145 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3cc(C)ccc3C)cc2c1 25765040 YLEOFQCFXPFSCC-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB Cc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28303880 RJJXNCDNPPPCKY-MRXNPFEDSA-N 304.393 4.277 0 40 DIAB CCc1ccc(-c2cc(C(F)(F)F)nc(N3CCCC3)n2)cc1 36613703 VKWIQGYALJIXPW-UHFFFAOYSA-N 321.346 4.325 0 40 DIAB Cc1cc(NC(=O)N2CCCCCC2)ccc1Br 40097492 YQRVOWGQRCJJBW-UHFFFAOYSA-N 311.223 4.165 0 40 DIAB Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)cc1C 44632114 NAOUXKMGTYBDMZ-UHFFFAOYSA-N 312.394 4.196 0 40 DIAB Cc1ccc2nc(Nc3nc4c(C)cc(N)cc4s3)oc2c1 57352667 JUZZHDVNLHGVLI-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB c1ccc(-n2ccc(CSc3nc4ccccc4o3)n2)cc1 60278629 YECHIRFBMXFQLS-UHFFFAOYSA-N 307.378 4.306 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(C)cc2F)c1 71760553 MJIPZODTQNWMJD-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(C)C)on2)cc1 76066837 BLMYCULEZVTHIV-GFCCVEGCSA-N 304.415 4.226 0 40 DIAB COc1ccc2c(c1)[C@H](NCc1c(C)noc1C)CCCS2 187836178 MWUHJBNXOFEMJZ-MRXNPFEDSA-N 318.442 4.017 0 40 DIAB CC(C)c1cc(Br)c2oc(C3CCNCC3)nc2c1 226250341 JDTKQUOUUAHZPY-UHFFFAOYSA-N 323.234 4.181 0 40 DIAB Nc1cc(Cl)c(N2CCc3ccccc32)c(Br)c1 252489715 JYEOZZPKOYPJIP-UHFFFAOYSA-N 323.621 4.379 0 40 DIAB CC(C)(C)CNc1cc(C(F)(F)F)c(Br)cn1 1083805711 RWSRDMFUBKFNBQ-UHFFFAOYSA-N 311.145 4.321 0 40 DIAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 36466 ZVTINTBXDBISEZ-INIZCTEOSA-N 303.814 4.114 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1C 149674 FFKRHSTZRHNMFX-ZHACJKMWSA-N 301.773 4.309 0 40 DIAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1ccco1 378709 DTPYIXJNFSQTGQ-OAHLLOKOSA-N 324.311 4.003 0 40 DIAB CCc1c(C)sc(NC(=O)C2C(C)(C)C2(C)C)c1C(=O)OC 483971 ZLBGBBODSNGDPK-UHFFFAOYSA-N 323.458 4.026 0 40 DIAB Cc1ccc(C)c(Cn2c(C(=O)OC(C)C)cc3c2ccn3C)c1 1355047 IILIXAATNWIPJW-UHFFFAOYSA-N 324.424 4.210 0 40 DIAB Cc1cccc(C(=O)OCc2ccccc2CN2CCCCC2)c1 1716147 NEYVFMBZEHVOHD-UHFFFAOYSA-N 323.436 4.338 0 40 DIAB Cc1nc(NC(=O)CCCOc2ccc(Cl)cc2)sc1C 1903882 UWEDEJWFNZUTDT-UHFFFAOYSA-N 324.833 4.211 0 40 DIAB CCOP(=O)(OCC)[C@@H](O)c1ccc(Cl)cc1Cl 2045551 TVYSHSYXEDJSAC-LLVKDONJSA-N 313.117 4.250 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1C 3548497 XKQWNRMGAFCYIG-CQSZACIVSA-N 315.438 4.264 0 40 DIAB O=C(O)c1cc2sccc2n1Cc1c(F)cccc1Cl 5000276 AWCQIPPRYVNBIQ-UHFFFAOYSA-N 309.749 4.242 0 40 DIAB CC(=O)Nc1ccc2cc(-c3nc4ccccc4o3)cnc2c1 5378530 BQNXXHXKVWRCIS-UHFFFAOYSA-N 303.321 4.001 0 40 DIAB O=C(OCc1cccc2ccccc12)C1=Cc2ccccc2OC1 6590187 OXRWCCZTNXLSIA-UHFFFAOYSA-N 316.356 4.359 0 40 DIAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1)N2 6630672 PYZFRTHWZIBOGQ-AYOQOUSVSA-N 323.392 4.108 0 40 DIAB Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 7584013 BOZSYVNDPQQQFY-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB CSc1ccc(NC(=O)c2ccc(Br)o2)cc1 12038488 ZEDSJZJYUYOKEJ-UHFFFAOYSA-N 312.188 4.016 0 40 DIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1F 12257776 JZIATEVZLWJRBM-UHFFFAOYSA-N 311.312 4.146 0 40 DIAB Clc1ccc(-c2csc3ncnc(N4CCC4)c23)cc1 12940578 CCRQPFNLHBXHHL-UHFFFAOYSA-N 301.802 4.222 0 40 DIAB Cc1cccc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 13004533 SWLGUYIFIVUMBJ-OAHLLOKOSA-N 316.401 4.493 0 40 DIAB COc1ccccc1OCCC(=O)Nc1c(C)cc(C)cc1C 14426584 QIZJUWVUOBENDP-UHFFFAOYSA-N 313.397 4.028 0 40 DIAB CCc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 15831118 UUEMRNYPFYBCBO-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1ccccc1 17116228 KMUMDRQKPGGAGT-IAGOWNOFSA-N 310.441 4.377 0 40 DIAB Cc1ccc(CSCCNC(=O)c2cc(C)ccc2C)cc1 17603517 AYHMCNAHFCJKRR-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20137589 SUMLFDPWQUHTIR-UHFFFAOYSA-N 321.376 4.254 0 40 DIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c1 21840237 NLICJFIQTIEVDW-MPQNSZSLSA-N 309.365 4.258 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCCC[C@@H]1C 24475380 RRFSSPXSIYIAKV-KBXCAEBGSA-N 308.425 4.366 0 40 DIAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(OC(F)(F)F)cc1 31952804 RNSYCWOWAHOJIU-WCQYABFASA-N 313.319 4.119 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(C)o1 36390755 VZOMQSPETNCGNR-JTQLQIEISA-N 322.202 4.150 0 40 DIAB Cc1ccc(NC(=O)N2CCc3ccccc3C2)c2cccnc12 40104671 KRSXBJOFWJEDIF-UHFFFAOYSA-N 317.392 4.133 0 40 DIAB Cc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C 40525353 SDHWUUXIOYOUBO-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccccn1 59335821 VBMRLKIIRIUXQO-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1 61966137 UTGUHFOMNVLJSL-UHFFFAOYSA-N 310.434 4.299 0 40 DIAB NC(=O)Nc1ccc(-c2csc(CCc3ccccc3)n2)cc1 72014469 DIVJQNXBJICNSM-UHFFFAOYSA-N 323.421 4.086 0 40 DIAB CCN(CC)c1cc(NC(=O)c2ccccc2)c(Cl)cc1N 72229047 JOCJWFGWUAYBNU-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)c1ccccn1 78382207 ZJAFTBRODDNWAZ-UHFFFAOYSA-N 320.417 4.185 0 40 DIAB O=C(c1csc(-c2ccccc2)n1)N1CCCc2ccccc21 78974459 GXKHTZQCWWJBEF-UHFFFAOYSA-N 320.417 4.403 0 40 DIAB O=C(c1ccc(Cl)s1)N(CC(F)(F)F)c1ccccn1 79336486 SQDJFZMCJPPOLI-UHFFFAOYSA-N 320.723 4.006 0 40 DIAB Cc1ccc(SCC2CCN(C(=O)OC(C)(C)C)CC2)nc1 79440744 TZLQLMYEAOVVKB-UHFFFAOYSA-N 322.474 4.129 0 40 DIAB CCOC(=O)/C=C/c1ccc(OCc2cccc(Cl)c2)cc1 85397246 FUXRFNPKDTVBNE-DHZHZOJOSA-N 316.784 4.495 0 40 DIAB O[C@H]1c2c(sc3c2CCCC3)N=C(S)N1c1ccccc1 85432390 XBWHNZAMJZPMGW-HNNXBMFYSA-N 316.451 4.055 0 40 DIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Cl 95095987 PWBYXZZAWFUOFM-XCBNKYQSSA-N 301.091 4.012 0 40 DIAB Cc1noc(C)c1C[C@H](C)N[C@H](C)c1cnc2ccsc2c1 95422818 BUUXQPAZANUZCE-WDEREUQCSA-N 315.442 4.183 0 40 DIAB CCOc1ccc(C(=O)c2ccccc2OC(F)(F)F)cc1 95917434 FFSXLVCRUBUBIG-UHFFFAOYSA-N 310.271 4.215 0 40 DIAB CC(C)(C)c1ccc(C(=O)c2c[nH]nc2-c2ccccc2O)cc1 96901069 GQHALJXDERJAMI-UHFFFAOYSA-N 320.392 4.311 0 40 DIAB CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 104647585 ILQLITDRYFHAGM-VDGAXYAQSA-N 316.441 4.009 0 40 DIAB biogenic,in-vitro CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 224662847 UVZVQXCMVYOLDM-UHFFFAOYSA-N 303.427 4.025 0 40 DIAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COC 224683439 HKVPXVHMHOAKPZ-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB Cc1cc2cnc(C)n2c([C@@H]2CCCCN2Cc2ccccc2)n1 257205504 AZJSBSKVLWNDTI-IBGZPJMESA-N 320.440 4.073 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2c(C)cccc2[C@H](C)CC1(C)C 260619469 MMLUTDKQRPYHLD-GDBMZVCRSA-N 303.446 4.285 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260767817 PGAVMOGYGAHDAI-CVYDXHPNSA-N 315.457 4.191 0 40 DIAB c1ccc(C[C@@H]2COC(c3cccc(-c4ccccc4)n3)=N2)cc1 1988182104 GIBSLBRVBBSKFV-GOSISDBHSA-N 314.388 4.137 0 40 DIAB FC(F)(F)c1cnc(C[n+]2ccc3ccccc3c2)c(Cl)c1 160165 LPMMWNSFMJUUBV-UHFFFAOYSA-N 323.725 4.243 0 40 DIAB O=c1c2cc(F)ccc2[nH]c(=S)n1CCC1=CCCCC1 425291 CGHMMOJMZBHXRJ-UHFFFAOYSA-N 304.390 4.089 0 40 DIAB COc1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1 1577323 CDUNFORJHZRGDA-UHFFFAOYSA-N 316.356 4.157 0 40 DIAB CC[C@H](c1cccc(OC)c1)[C@H](C(=O)O)c1ccc(OC)cc1 1724398 YSWXNSSNXKEMCA-QZTJIDSGSA-N 314.381 4.066 0 40 DIAB CCCCn1c(COc2ccc(OC)cc2)nc2ccccc21 1805662 YUCNKGBOSBRTQA-UHFFFAOYSA-N 310.397 4.424 0 40 DIAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCC1 2439515 HGYCGVOHLDICRQ-UHFFFAOYSA-N 320.440 4.176 0 40 DIAB O=C(Nc1cccc(Cl)c1)OCn1cnc(Cl)c1Cl 2577555 PHIRIKSXQTZDMP-UHFFFAOYSA-N 320.563 4.050 0 40 DIAB CCCCC[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1C 3337063 WQTCXHYCXLNKOU-AWEZNQCLSA-N 313.445 4.188 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1 3378987 SUNZQZQWLPRLPS-UHFFFAOYSA-N 301.289 4.207 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F 6333147 NSGGHVSZPNNTKM-UHFFFAOYSA-N 321.632 4.288 0 40 DIAB CC(C)n1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21 6348008 NKOXLRKMHVGMLZ-PTNGSMBKSA-N 321.424 4.188 0 40 DIAB CCc1cccc2c(CNCCc3ccc(OC)cc3)c[nH]c12 6784980 RXCGUPYKWHKKOF-UHFFFAOYSA-N 308.425 4.071 0 40 DIAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)NC1CCCC1 11666875 IIIIFQQGAGVOKZ-UHFFFAOYSA-N 301.361 4.077 0 40 DIAB Cc1ccc(CCN2Cc3cc4ccccc4nc3OC2=O)cc1 12223132 KKSFYVGGPXIHEK-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2cccc(F)c2)c1C 14076814 UYQKUPAIEBQLMR-UHFFFAOYSA-N 308.356 4.497 0 40 DIAB CCCCOc1ccc(NC(=O)c2ccco2)c2cccnc12 15841085 SNLCHWZQUVMSOB-UHFFFAOYSA-N 310.353 4.259 0 40 DIAB O=C(Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 22250832 RJWFXZWXMLKPEN-UHFFFAOYSA-N 324.163 4.017 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccccc1N1CCCCC1 23224163 GDIAATQCWTXFPF-UHFFFAOYSA-N 308.425 4.167 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2cccc(Cl)c2)C1(C)C 25156391 DZGGZMMTMKPSGE-JKSUJKDBSA-N 305.849 4.237 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2cccs2)o1 31526264 UCDYKRXXPNDNKT-KSZPNQFKSA-N 301.411 4.136 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](c1cccs1)C(C)(C)C 32915467 XMWGLDNUTFJVFH-CZUORRHYSA-N 317.454 4.419 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)o1 42796622 IVHMECNKSYWAPK-FHLIZLRMSA-N 324.424 4.094 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 44903318 ZZUDERAKOHYDCU-ZDUSSCGKSA-N 319.351 4.296 0 40 DIAB N[C@@H](c1cccc(Cl)c1)c1ccccc1OC(F)(F)F 55205582 YJUUHOAXSDEJQA-ZDUSSCGKSA-N 301.695 4.287 0 40 DIAB CCOc1ccccc1C[S@@](=O)[C@@H](C)c1ccccc1F 69703118 VDHXROYGDFSVBE-ZSEKCTLFSA-N 306.402 4.234 0 40 DIAB Fc1cccc(-c2nnc(CNc3ccccc3Cl)o2)c1 75110270 NKYMGAFUEXGPHT-UHFFFAOYSA-N 303.724 4.141 0 40 DIAB O=C(CCCc1ccccn1)N1CC2(CCCC2)c2ccccc21 81578431 HPUYEUSUCZNJOA-UHFFFAOYSA-N 320.436 4.263 0 40 DIAB C[C@@H](NC[C@@](C)(O)c1cccs1)c1cc2ccccc2o1 95968314 PLLXCXITFDWIDE-SJKOYZFVSA-N 301.411 4.053 0 40 DIAB Cc1ccc2c(c1)OCCC[C@H]2NCc1csc(C2CC2)n1 96477489 SALIYRKNOREADY-MRXNPFEDSA-N 314.454 4.332 0 40 DIAB N=c1c(-c2ccc(Cl)cc2)c[nH]c2c(-c3ccccc3)cnn12 105896535 AZKMTPGAPQWVBH-UHFFFAOYSA-N 320.783 4.129 0 40 DIAB N=C1N=C/C(=N/Nc2c(Cl)cc(Cl)cc2Cl)S1 110039104 XFCNYWHMGAKMEA-BAROKEFNSA-N 307.593 4.125 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C 118934164 UGIARLNNAPRCPF-BHQVDIMFSA-N 316.485 4.205 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCC1=CCCCC1 224286612 DWSXZXSJOVXDLN-OAHLLOKOSA-N 309.409 4.224 0 40 DIAB Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1C)C(=O)O 225073043 CRKUYRZXZRAMFI-INIZCTEOSA-N 304.773 4.032 0 40 DIAB O=C(Nc1ccccc1Cl)c1snnc1-c1ccccc1 225759222 BOMUSTDRSPLCND-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(C(F)(F)F)c1 254292092 SZVLUONEASWAGO-SRVKXCTJSA-N 312.335 4.263 0 40 DIAB CCC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624742 UJWCEDFSTBUNEC-IUODEOHRSA-N 305.418 4.041 0 40 DIAB Cc1cnc(Nc2ccc(C34CCC(CC3)CC4)cc2)nc1O 408979962 OYSVLJRBOIEFEY-UHFFFAOYSA-N 309.413 4.456 0 40 DIAB CC1=CC(C)(C)Nc2ccc(C(=O)NCc3ccccc3)cc21 1857624802 JLWPYBFWQTYCRE-UHFFFAOYSA-N 306.409 4.224 0 40 DIAB Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222302 VUGCORCDDCWGHS-IAGOWNOFSA-N 324.815 4.386 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(F)ccc12 1693069 OTKWDNCXANVGKB-CQSZACIVSA-N 303.425 4.296 0 40 DIAB COc1ccc(OC(=O)CCCOc2ccc(C)cc2C)cc1 1914160 ITROQTXMHKATTJ-UHFFFAOYSA-N 314.381 4.077 0 40 DIAB Cc1cnc(NC(=O)c2ccc(OCCC(C)C)cc2)s1 2639349 DJWUQODBZRQNCA-UHFFFAOYSA-N 304.415 4.129 0 40 DIAB N=C(COc1ccc(Cl)c(Cl)c1)NCc1ccccc1 4015687 UXILYQMCFTYRED-UHFFFAOYSA-N 309.196 4.139 0 40 DIAB Cc1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)cc1Cl 5006214 BBDVWQSEEPMGQO-QPEQYQDCSA-N 318.785 4.047 0 40 DIAB O=C(NCc1ccccc1)c1ccccc1OCc1ccccc1 5171702 GJNREGQQILABEZ-UHFFFAOYSA-N 317.388 4.196 0 40 DIAB Cc1cc(F)ccc1NC(=O)/C=C/c1nc2ccccc2s1 5617650 PUTITPIAJZIRKD-CMDGGOBGSA-N 312.369 4.396 0 40 DIAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 6032793 QOPXGALTSNZQLN-CMDGGOBGSA-N 310.378 4.363 0 40 DIAB Cc1c(C)n(-c2ccncc2)c2ncnc(NC3CCCCC3)c12 6660426 ZDIDGZCPPXBMKI-UHFFFAOYSA-N 321.428 4.177 0 40 DIAB Cc1ccc(C)c(NC(=O)CSC[C@@H]2CC2(Cl)Cl)c1 6850593 PQZCRIAAFCEDPV-NSHDSACASA-N 318.269 4.169 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 6966392 YRYQZOFKXCKJIL-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB Cc1ccc(SCC(=O)c2ccc3c(c2)OCO3)cc1C 7536256 DSXQASFDSHCGLM-UHFFFAOYSA-N 300.379 4.007 0 40 DIAB COc1ccc(/C=N/c2cccc(Cl)c2C)cc1C(=O)O 8277868 AJAYUKXITRPYQA-GIJQJNRQSA-N 303.745 4.106 0 40 DIAB C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F 12909115 VQEDJCKXEFXVTN-CYBMUJFWSA-N 313.351 4.001 0 40 DIAB Cc1ccc(-c2ccccc2CC2(C(=O)O)CCOCC2)c(C)c1 13226955 GJSBTJBHTDKTSY-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB CCc1ccc(N2C(=O)CS[C@H]2c2cccc(OC)c2)cc1 17198429 HVLCZRFIVDZSHB-SFHVURJKSA-N 313.422 4.036 0 40 DIAB CCC[C@@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 21929062 YWHXTNCHZDLKGC-CQSZACIVSA-N 301.411 4.222 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N(C)Cc1cccs1 30813337 ZZZACXLTDZKOSW-UHFFFAOYSA-N 318.423 4.045 0 40 DIAB C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC(F)(F)F)cc1 31663480 CDARLJDNLSBKFY-NSHDSACASA-N 324.302 4.468 0 40 DIAB Cc1cccc(NC(=O)CCCC(=O)c2ccc(F)cc2)c1C 32930051 VAWKBGTXTGHHAE-UHFFFAOYSA-N 313.372 4.434 0 40 DIAB Cc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c(Cl)c1 40105493 MPBNISIRMXHGIO-CZUORRHYSA-N 324.852 4.365 0 40 DIAB Cc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 41097553 MLLGWMQXHRCZGP-RHSMWYFYSA-N 310.447 4.334 0 40 DIAB CCCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44884673 KTCWBWCFKCDKIQ-UHFFFAOYSA-N 322.452 4.169 0 40 DIAB Cc1cc(Br)ccc1NCc1nc(C(C)(C)C)no1 48657272 GABJMDQLPRVKBQ-UHFFFAOYSA-N 324.222 4.050 0 40 DIAB CN(Cc1nnc(C2CC2)o1)Cc1ccccc1-c1ccccc1 58341471 JHYZDXLOBAUKAF-UHFFFAOYSA-N 319.408 4.246 0 40 DIAB Cc1oc(C)c(C(=O)Nc2ccc(Cn3ccnc3C)cc2)c1C 65542632 RHSFUOWDOBGJEG-UHFFFAOYSA-N 323.396 4.010 0 40 DIAB CCCCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 65835127 IAWIOOXFDMLBDP-UHFFFAOYSA-N 311.307 4.020 0 40 DIAB O=C(Nc1cccc(-c2ncco2)c1)[C@H]1C[C@@H]1c1cccc(F)c1 89779612 COOIFZPGRLEHMY-SJORKVTESA-N 322.339 4.223 0 40 DIAB COc1ccc(Oc2cc(CN[C@@H](C)c3ccco3)ccn2)cc1 95420516 CBKYUXWAOHBBGZ-AWEZNQCLSA-N 324.380 4.326 0 40 DIAB COc1c(C)cc([C@@H](O)c2ccccc2Br)cc1C 95730082 QSEOQHBAKYPSMX-OAHLLOKOSA-N 321.214 4.156 0 40 DIAB COC1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 95975035 SFEQGQWRQUKZNP-IDZDRKKHSA-N 307.478 4.009 0 40 DIAB Cc1cccc(N2C(=S)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)c1 100032806 ITRPQVDAAKDQCV-XVSDVWIESA-N 324.449 4.176 0 40 DIAB CC1CCC(NC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)CC1 102307572 WTHLPVOXXPMQIJ-UJXJJWOSSA-N 309.881 4.259 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2ccc3c(c2)CCO3)C1(C)C 106757901 FHQPLJZUZCSGSW-MZMPZRCHSA-N 313.441 4.037 0 40 DIAB Cc1ccccc1OC[C@H](C)NC(=O)Nc1cccc(Cl)c1 222631198 XXRJCLPMPYHRCY-ZDUSSCGKSA-N 318.804 4.237 0 40 DIAB Cc1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)cc1 225311694 MIBGNJLOCXFMDA-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2c(F)cccc2F)c1 225392563 OQXDGCMNYWNRNN-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 225470626 CYJQOTOIDCIMCI-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB CCC(CC)NC(=S)Nc1ccc(Br)cc1F 225801145 CHZVZZQRFVBHGC-UHFFFAOYSA-N 319.243 4.063 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)cn1 225896401 OSSFXJCSCLQQQC-GOSISDBHSA-N 322.449 4.184 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260612872 BVUQYDFSCDYJHH-MLGOLLRUSA-N 307.409 4.260 0 40 DIAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)Cc1ccsc1 390828255 APPHUSNGIPVFTB-AWEZNQCLSA-N 311.516 4.203 0 40 DIAB O=C(Cc1cccc2ccccc12)NC1CCC(F)(F)CC1 390830583 LZPBZOZPVYHSQC-UHFFFAOYSA-N 303.352 4.076 0 40 DIAB FC(F)Oc1ccc(NC(=S)N2CCc3ccccc32)cc1 240090 KYSVJZLMXOGHNM-UHFFFAOYSA-N 320.364 4.048 0 40 DIAB CC(C)COC(=O)Nc1nnc(-c2ccccc2Cl)s1 311342 LEGVLCGLWWHCKI-UHFFFAOYSA-N 311.794 4.063 0 40 DIAB CCC(CC)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 804631 OJRJXJUPKBRYCN-UHFFFAOYSA-N 309.822 4.347 0 40 DIAB O=C([C@H]1CC1(c1ccccc1)c1ccccc1)N1CCCCC1 974895 KEJDRIIGRYBQFO-LJQANCHMSA-N 305.421 4.005 0 40 DIAB CN(C)c1ccccc1CCCCC[C@@H](C(N)=O)c1ccccc1 1713753 DJXAFMULYTZKIC-LJQANCHMSA-N 324.468 4.125 0 40 DIAB CCN(CC)[C@@H](c1ccccc1)c1nnc(-c2ccc(C)cc2)o1 3127284 ANIUZNKDWOMHQI-SFHVURJKSA-N 321.424 4.476 0 40 DIAB CC(C)c1ccc(O[P@@](N)(=O)Oc2ccccc2F)cc1 3195762 IXSPFZDAJVAOMU-OAQYLSRUSA-N 309.277 4.474 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1C 3329109 ZSSGPZSHKUUHTF-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)C1(Cl)c1ccccc1 3957114 NKMRLBRDWQLSDJ-UHFFFAOYSA-N 306.748 4.353 0 40 DIAB Cc1cc(-c2[nH]c(=O)[nH]c2-c2cc(C)sc2C)c(C)s1 4770294 YNBXURMOBPOMFD-UHFFFAOYSA-N 304.440 4.394 0 40 DIAB O=c1[nH]c(-c2ccccc2)nc2scc(-c3ccccc3)c12 5267000 KYFZKXVBGQKMHK-UHFFFAOYSA-N 304.374 4.319 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)NC1C2CC3CC(C2)CC1C3 5713720 LABCXVGPGWIYLE-UHFFFAOYSA-N 322.562 4.490 0 40 DIAB CCOC(=O)[C@@]1(C)Sc2ccccc2N=C1c1ccccc1 5759615 UGHPKSQTFOMNGA-SFHVURJKSA-N 311.406 4.235 0 40 DIAB CC(C)OCCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 6328068 DOMBNQFNZCJOFH-CAPFRKAQSA-N 323.436 4.159 0 40 DIAB Cc1ccc(C)c(OCCC(=O)NCc2ccccc2Cl)c1 6377465 OIZMLEQSELIFII-UHFFFAOYSA-N 317.816 4.042 0 40 DIAB CSc1nc2ccc(NC(=O)CCc3ccco3)cc2s1 7785440 AKLHUHOXLHKUCH-UHFFFAOYSA-N 318.423 4.183 0 40 DIAB CC(C)(C)NC1=NN=C(c2ccc(Cl)c(Cl)c2)CS1 7850073 LXXJZRGCFGRVHH-UHFFFAOYSA-N 316.257 4.188 0 40 DIAB Cc1c(C(=O)N[C@H](C)c2cccnc2)oc2c(Cl)cccc12 7987127 JBBLDIGGMTVGKT-LLVKDONJSA-N 314.772 4.281 0 40 DIAB CC(C)(C)CC(=O)Nc1ccccc1SCCCC(=O)O 8732926 ZHCSBCZYNKDMDF-UHFFFAOYSA-N 309.431 4.018 0 40 DIAB CC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 12408335 KZKZCVKNQTZTNH-UHFFFAOYSA-N 313.740 4.072 0 40 DIAB biogenic c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)cs2)nc1 12525411 ZMSIPZHGLPZMIN-UHFFFAOYSA-N 324.434 4.374 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(C)cc1C 12534804 MGCWBZWMBNVVFR-HNNXBMFYSA-N 312.413 4.060 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 13670529 WSBZSNCRYMYDFS-GJZGRUSLSA-N 311.450 4.286 0 40 DIAB Cc1ccc(CN(C)C(=O)CCCOc2ccc(C)cc2)cc1 20104744 VFWLHNVSTUVISJ-UHFFFAOYSA-N 311.425 4.121 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 20488411 FKTFDZLPSVHZEM-KBPBESRZSA-N 315.388 4.033 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(Cl)cc1 20495486 KDGCUBHTYWUPTH-MRXNPFEDSA-N 317.816 4.122 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2Cl)c1C 21700995 AIJUTBLARFARKA-CQSZACIVSA-N 317.816 4.041 0 40 DIAB O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccc1 22551846 FFYLBJYWPZLJNQ-ZDUSSCGKSA-N 321.207 4.366 0 40 DIAB CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 24689874 JGVXPVBETPWBMN-UHFFFAOYSA-N 301.773 4.114 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(Cl)cn3)cc12 28226296 GHNCWJXJCNIJSO-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB Cc1ccc(NC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1 28579547 REZDVGWWYHNIFU-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB CCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 29052009 YUSSJLQMQSPFSQ-UHFFFAOYSA-N 319.408 4.333 0 40 DIAB O=C(Nc1ccccc1)c1ccccc1C(=O)c1cccs1 29484522 WNYLARUVBGMYOQ-UHFFFAOYSA-N 307.374 4.231 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1 30868087 PGTSQSKDPHHHKB-LBPRGKRZSA-N 318.214 4.249 0 40 DIAB COCCCC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 40123139 HHBJTSAAZDQRFX-UHFFFAOYSA-N 318.442 4.100 0 40 DIAB COc1ccccc1NC(=S)Nc1ccc(F)cc1Cl 71761707 LKFYAMPRQPCXIG-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CC[C@H](Nc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C 72207654 XMMGPYMFOVOAET-HOTGVXAUSA-N 304.434 4.277 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/C=C/c1ccccc1 83325225 CQLPNSSOUAVJOB-YQIRAYBWSA-N 301.345 4.252 0 40 DIAB CC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(OC)cc3)=NN21 105833442 HIGURTDMJORZMY-QUCCMNQESA-N 322.408 4.365 0 40 DIAB C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 107326996 UGLVUBDQRNMGLP-PASDCYSWSA-N 308.425 4.032 0 40 DIAB O=C(CCCOc1ccc(Cl)cc1)NCC1CCCCC1 108113464 OJSMHZGVECPQRF-UHFFFAOYSA-N 309.837 4.196 0 40 DIAB N#C/C(=N\Nc1ccccc1Cl)c1nc2ccccc2s1 108242718 KHFIWWQLJSHTFE-DEDYPNTBSA-N 312.785 4.289 0 40 DIAB O=C(CCc1cccc2ccccc12)NCc1ccc(F)cc1 222674818 OOJOMGUGNKMKST-UHFFFAOYSA-N 307.368 4.228 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1ccccc1 222943792 AQARAAYJMDCYFK-SFHVURJKSA-N 311.425 4.119 0 40 DIAB CCOC(=O)Cc1csc(-c2ccc(C(C)(C)C)cc2)n1 165891 ZEWYLZBYOBLIOK-UHFFFAOYSA-N 303.427 4.213 0 40 DIAB CC[C@H](C)c1ccc([C@@H](CC)NC(=S)NCCCOC)cc1 2780391 SCWOQYXJVNCEKF-WMLDXEAASA-N 322.518 4.152 0 40 DIAB Cc1cc(NC(=O)c2ccc(Br)cc2)cc(C)c1O 3120941 QFDZDPCZDNJAJM-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2s1 3233245 QHGRAOZSRLWGFT-RYUDHWBXSA-N 320.483 4.178 0 40 DIAB CN(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 4003079 OCVHNRLYRKDDFL-UHFFFAOYSA-N 320.223 4.370 0 40 DIAB in-vitro CC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 4496529 BYIAWJHEYGWPPR-UHFFFAOYSA-N 313.422 4.319 0 40 DIAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](C)CCc1ccccc1)n2C 4749257 RUYWGUAYWFCFGD-INIZCTEOSA-N 320.436 4.238 0 40 DIAB O=C1c2c(ccc3c2CCC3)C[C@@H]1Cc1ccc2c(c1)CCC2 6006577 VYQUWDRIXTYVHL-IBGZPJMESA-N 302.417 4.262 0 40 DIAB C[C@@H](NC(=O)c1cccnc1Cl)C12CC3CC(CC(C3)C1)C2 6267285 VPXWGJVCNNXYLW-HDPALTEOSA-N 318.848 4.070 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 6929217 LMYVAROJJMXIBY-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB Cc1ccc(NC(=S)NCCCOC2CCCCC2)cc1C 7011043 QGIUBEXHPKPDLQ-UHFFFAOYSA-N 320.502 4.329 0 40 DIAB O=C(Nc1cccc(Br)c1)C1(c2ccccc2)CC1 7609546 RUFNWMYEZPWCGN-UHFFFAOYSA-N 316.198 4.119 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(C)C)cc1 8049709 UWQSLRAJXVGIKU-SFHVURJKSA-N 313.397 4.270 0 40 DIAB CC(C)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1nc2ccccc2[nH]1 9315935 FPSOVQGFMLNYIX-PBHICJAKSA-N 311.429 4.123 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(OC(F)F)c1 11203365 SLYWLVCAHNGZIK-INIZCTEOSA-N 317.335 4.169 0 40 DIAB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)cc1 11288477 NBTFCRJQNQSPEK-SFQUDFHCSA-N 320.392 4.112 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)c(C)c1 12556114 YLIZBPUNDPGKKR-HNNXBMFYSA-N 308.425 4.231 0 40 DIAB Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 20240005 FCVGIQOPPPSLOD-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB CCC(CC)C(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 23042558 RWNXANLKZZDINB-CQSZACIVSA-N 316.426 4.455 0 40 DIAB Cc1ccc(C)c(CC(=O)NCCCc2ccc(Cl)cc2)c1 44847497 DBDBOVZXHMBRSM-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB O=C(C1CCCCC1)N1CC[C@H](c2nc3ccccc3s2)C1 49168679 JSIYBQDRXQGYSL-AWEZNQCLSA-N 314.454 4.193 0 40 DIAB biogenic,in-vitro CCN(Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 62649822 HGEVERIGZZBQAK-UHFFFAOYSA-N 313.788 4.417 0 40 DIAB Cc1cccc(OCc2ccc(Br)cc2C(=O)O)c1 72209155 DIMJRFCUQIYLIV-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB Cc1ccc2cc3c(nc2c1C)OCCN(Cc1cccs1)C3 72392253 NJUBJVDXQBADBC-UHFFFAOYSA-N 324.449 4.308 0 40 DIAB Nc1ccc(Br)cc1-c1nc2ccc(F)cc2s1 91939458 ZLMRLXMPLRDPCA-UHFFFAOYSA-N 323.190 4.447 0 40 DIAB Fc1cc(Br)ccc1-n1ccnc1-c1ccccc1 95915729 XNPACDZJRWPUTK-UHFFFAOYSA-N 317.161 4.441 0 40 DIAB C[C@H](c1ccccc1)[S@@](=O)c1ccccc1Br 97002329 RCZCCBJFGUBTNS-DIFFPNOSSA-N 309.228 4.318 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1CC 224418269 AVBGSJMGGPNJBI-CVEARBPZSA-N 305.462 4.349 0 40 DIAB COc1cccc2c1P(C(C)(C)C)[C@@H](c1ccccn1)O2 1772769054 NFXZRUNTUSEVGQ-BJQOMGFOSA-N 301.326 4.087 0 40 DIAB O=c1c2ccccc2c(-c2cccs2)nn1Cc1ccccc1 87698 GKCGMEMNUKOSMH-UHFFFAOYSA-N 318.401 4.173 0 40 DIAB C[C@@H](O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 383832 UXIPVOIIFUKESO-SECBINFHSA-N 310.180 4.299 0 40 DIAB O=C(c1ccccc1)N(C(=O)c1ccccc1)C1CCCCC1 1664178 BCLDQLXWBGNHOF-UHFFFAOYSA-N 307.393 4.302 0 40 DIAB Clc1ccc(-c2nc3ccccc3cc2N2CCOCC2)cc1 1745144 MIMFEWQAGDUQST-UHFFFAOYSA-N 324.811 4.392 0 40 DIAB CCCCCCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 3016515 DGOUUNHKMCYBTL-UHFFFAOYSA-N 319.430 4.123 0 40 DIAB CCOCc1c(C(=O)NC2CCCCCC2)oc2ccccc12 3387899 KRXQUJHFGPBCST-UHFFFAOYSA-N 315.413 4.422 0 40 DIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1Cl 4103703 HJHKASXYASKEMG-GOSISDBHSA-N 312.800 4.346 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1cccc(NC(=O)C(C)C)c1 6310786 YDYOMRJWFLCVTM-HNNXBMFYSA-N 318.461 4.227 0 40 DIAB O=C(CCSc1ccccc1)N[C@@H]1CCCc2ccccc21 6433957 OLKWTYNPELYACM-GOSISDBHSA-N 311.450 4.363 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2C)cc1 6963900 NWHDNXAHPPSJGW-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB COc1cccc(OCCSc2nc3ccc(C)cc3[nH]2)c1 7425260 DMJDBIOUHJENRJ-UHFFFAOYSA-N 314.410 4.051 0 40 DIAB Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1C1CC1 9591810 VOWVLYOQMFZFRW-AWEZNQCLSA-N 317.458 4.154 0 40 DIAB CC(=O)Nc1ccc(NC(=O)Nc2ccccc2F)cc1Cl 10464532 WMZSVWJVUAVRCU-UHFFFAOYSA-N 321.739 4.082 0 40 DIAB Fc1ccccc1-c1nn2c(C3CCCCC3)nnc2s1 11279052 QISRNHBAUGOXMV-UHFFFAOYSA-N 302.378 4.040 0 40 DIAB COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 12925664 VWWQQTGYLRLCKK-GOSISDBHSA-N 310.397 4.373 0 40 DIAB Clc1ccc(OCCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 15456893 ZZTNNXBYPUKSHP-GJZGRUSLSA-N 324.877 4.113 0 40 DIAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(F)c1 15514646 FBVSBDNQISZTTK-UHFFFAOYSA-N 301.386 4.045 0 40 DIAB Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl 20193921 XHQUCTAUDMGISM-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 21487105 PHOZLMDTTWWBAH-UHFFFAOYSA-N 317.436 4.044 0 40 DIAB CCOC(=O)c1ccc(Nc2cccc(Cl)c2C)c(N)c1 41080415 IXNGGPPKPFGJHA-UHFFFAOYSA-N 304.777 4.151 0 40 DIAB c1ccc2nc(SCc3ccc4c(c3)OCCO4)ccc2c1 58358120 NYRIOFXERFLWKX-UHFFFAOYSA-N 309.390 4.298 0 40 DIAB Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1 70462030 NFOHEJIKZQRROO-UHFFFAOYSA-N 324.380 4.493 0 40 DIAB Cc1cncc([C@H]2CCCCN2C(=O)OCc2ccccc2)c1 72211371 HNTPZDWGWYAVJU-GOSISDBHSA-N 310.397 4.254 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 72215019 DHLNAFSEYIURLS-UHFFFAOYSA-N 317.433 4.206 0 40 DIAB O=C(Nc1c(F)cccc1F)c1ccc2ccc(Cl)cc2n1 84058738 CSGGROVSTUTKGU-UHFFFAOYSA-N 318.710 4.419 0 40 DIAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccco1 96117135 QSNISCADEPYPQK-AWEZNQCLSA-N 314.772 4.222 0 40 DIAB Cc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1C 96621683 LJKCDNGSQGESJG-UHFFFAOYSA-N 301.817 4.206 0 40 DIAB C[C@H]1CCc2ccccc2N1CC(=O)N(C)[C@H](C)c1ccccc1 106522478 VCWYOZXPXCWRTA-DLBZAZTESA-N 322.452 4.047 0 40 DIAB COc1cc(SC)ccc1NC(=O)c1cccc2cc[nH]c12 193240938 XWMTUTQWIYOGTE-UHFFFAOYSA-N 312.394 4.151 0 40 DIAB COc1cc(Cl)c2[nH]c(Cc3ccc(Cl)cc3)nc2c1 216912339 PJYPLEMMBXYJSQ-UHFFFAOYSA-N 307.180 4.469 0 40 DIAB COc1ccccc1CNC(=O)CCc1cccc2ccccc12 222661499 GQTFNDONKPDSLW-UHFFFAOYSA-N 319.404 4.097 0 40 DIAB O=C(CSCc1ccccc1Cl)NCC1=CCCCC1 223402372 FZVLRAWXOMSMFW-UHFFFAOYSA-N 309.862 4.190 0 40 DIAB CCOc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl 224215610 UJKZWZARZUFNLE-UHFFFAOYSA-N 315.800 4.332 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 227157212 CHERJKWAQSHPES-UHFFFAOYSA-N 318.804 4.353 0 40 DIAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccccc1F 261508666 VQWRSOPRZJMROH-HZPDHXFCSA-N 323.408 4.178 0 40 DIAB O=C(Cc1cccs1)c1ccc(OC(F)(F)C(F)F)cc1 575361339 XWBBJCNEEKIIEQ-UHFFFAOYSA-N 318.291 4.410 0 40 DIAB Brc1ccc(SCc2cn3ccccc3n2)cc1 387412 ORTDJJOGOQLMNB-UHFFFAOYSA-N 319.227 4.389 0 40 DIAB CSc1nc2cc(NC(=O)c3cccs3)ccc2s1 1510392 DOLALGLEPDVDEI-UHFFFAOYSA-N 306.437 4.332 0 40 DIAB Cc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1 1620492 CJLZYURNBMGIRN-UHFFFAOYSA-N 308.333 4.083 0 40 DIAB O[C@](c1ccccc1)(c1cccs1)C(F)(F)C(F)(F)F 4269897 UQWYUXGZTMWWFG-LLVKDONJSA-N 308.271 4.182 0 40 DIAB Cc1nc2ccccc2c(-c2ccccc2)c1SCC(=O)O 6043902 DXUOTZRIXQVBLK-UHFFFAOYSA-N 309.390 4.387 0 40 DIAB CN(CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 6784326 RIZFCRPLEUZDRK-UHFFFAOYSA-N 315.244 4.196 0 40 DIAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc2ccccc2c1 7381928 PLUVRXKNIWFTQJ-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB O=C(O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 7603981 OCEGCWDKEIMNHD-UHFFFAOYSA-N 315.127 4.410 0 40 DIAB Cc1nc(Oc2ccc(F)cc2)c2c3c(sc2n1)CCC3 8080535 ZHGQHFMRWUAVDN-UHFFFAOYSA-N 300.358 4.420 0 40 DIAB Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3)cc2)cs1 8848504 YKHOESMWLKBGOS-UHFFFAOYSA-N 323.421 4.440 0 40 DIAB C[C@@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 11251217 MGRUUSLZEFCCRD-LLVKDONJSA-N 312.866 4.055 0 40 DIAB COc1cccc(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1 11561987 QLMGEZQOQXETNS-SFHVURJKSA-N 310.397 4.276 0 40 DIAB O=C(Nc1ccc(F)cc1F)C1(c2cccs2)CCCC1 12157653 GZXASQXGQHXJCR-UHFFFAOYSA-N 307.365 4.477 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 15199146 LKBFDUKJNAWESY-INIZCTEOSA-N 315.413 4.409 0 40 DIAB Cc1cc(-c2ccc(N3CCCC3=O)cc2)nc2ccccc12 15517369 SENMNOAHNYLGKV-UHFFFAOYSA-N 302.377 4.337 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)c(Cl)c1 15626129 VGUGJMAGYPIOSF-BREXMAIKSA-N 310.180 4.477 0 40 DIAB C=C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)s1 16138228 RIOZQWQMCYPXLU-UHFFFAOYSA-N 305.830 4.300 0 40 DIAB CC(C)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663726 RUPNZVDVXHRWBS-QGZVFWFLSA-N 322.880 4.029 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 30848947 ATPZTJMTOXFIRF-HZPDHXFCSA-N 313.466 4.494 0 40 DIAB COc1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1 35616202 GRGVIOJYHBMBJV-UHFFFAOYSA-N 316.364 4.149 0 40 DIAB CCSc1nc(SC)nc2nc(-c3ccccc3)oc12 41154744 UHGVPBPOIXSYHI-UHFFFAOYSA-N 303.412 4.119 0 40 DIAB Fc1cccc(C=C2CCN(c3ncnc4ccccc34)CC2)c1 48313460 WYAYQVCXCOYRRR-UHFFFAOYSA-N 319.383 4.453 0 40 DIAB Cc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1C 54105864 HKMQKCCJKQPMBI-UHFFFAOYSA-N 307.393 4.042 0 40 DIAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCCC1 57525951 JULPFVZFRKEUHA-IBGZPJMESA-N 304.393 4.188 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccc[nH]1 58223340 CUHRFMBHLJERKH-AWEZNQCLSA-N 323.318 4.403 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)c1ccc(Br)o1)C1CC1 65828290 OXIIPVUKGPMWCL-VIFPVBQESA-N 324.174 4.001 0 40 DIAB CCCCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72214959 ZRZHBHNPWHGRKN-UHFFFAOYSA-N 317.433 4.206 0 40 DIAB COC(C)(C)C[C@H](C)NC(=O)c1oc2ccc(Cl)cc2c1C 72296863 FIROANKSKKMLIX-JTQLQIEISA-N 323.820 4.328 0 40 DIAB FC(F)(F)c1cccc(-c2cccc([C@@H]3CCCNC3)n2)c1 72348391 LSTAQZDIWJPKQC-CYBMUJFWSA-N 306.331 4.234 0 40 DIAB CCO[C@@H](C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1 76697327 HUOHYFPYSLRLNA-NSHDSACASA-N 319.455 4.214 0 40 DIAB COc1ccsc1C(=O)Nc1cc(C(C)C)c(O)cc1C 88466828 MZCJBJFQTUSVEW-UHFFFAOYSA-N 305.399 4.146 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Nc1cccc(Cl)c1 96761806 CROMGQADDUSXQV-UHFFFAOYSA-N 302.805 4.483 0 40 DIAB Nc1ccc(Cl)cc1-c1nc(-c2cc3ccccc3o2)n[nH]1 97105532 KPIGLBHJHLKHRV-UHFFFAOYSA-N 310.744 4.121 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 118918946 SPPQPIJYSMWOGE-URNIPBEBSA-N 316.485 4.469 0 40 DIAB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc2c(c1)CCCC2 223015533 AJIUSRJWNHKZGL-HXUWFJFHSA-N 323.436 4.455 0 40 DIAB CCOC(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C 223453164 YIXIAMLKNNHWKA-UHFFFAOYSA-N 304.415 4.297 0 40 DIAB O=C(Nc1ccc2nc(-c3cccc(F)c3)oc2c1)C(F)(F)F 226270899 WIUXVEOTRMRVNH-UHFFFAOYSA-N 324.233 4.135 0 40 DIAB O=C(O)c1sc2cc(Br)cc(F)c2c1Cl 228943333 VHCLLJBGVPAYIP-UHFFFAOYSA-N 309.543 4.155 0 40 DIAB Cc1cc(N2CCCc3ccccc32)nc(-c2ccccc2O)n1 193348 RPNYCUMARAWGSG-UHFFFAOYSA-N 317.392 4.242 0 40 DIAB Cc1cccc(OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1C 201786 DYMXMQXDGFPJLF-JXFKEZNVSA-N 315.457 4.109 0 40 DIAB CSc1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 291476 NIQLNGUYYLRYTJ-UHFFFAOYSA-N 303.814 4.265 0 40 DIAB Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 341321 JHWVSXBKRCPFHS-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(Cl)c1 1188555 HMTAPGHPGGNAGX-WQLSENKSSA-N 321.810 4.339 0 40 DIAB CSc1nc2ccc(NC(=O)c3ccc(C)o3)cc2s1 2645958 AOGHTSWGVBXXCP-UHFFFAOYSA-N 304.396 4.172 0 40 DIAB O=C(CSc1nc2ccccc2o1)Nc1cccc(Cl)c1 3618911 ONAJHQDFGMTWPC-UHFFFAOYSA-N 318.785 4.212 0 40 DIAB Cc1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)cc1 4164044 QHGVLVPGTFAXBX-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CC(C)(C)c1ccc(Cn2c3ccccc3n3ncnc23)cc1 4913577 OBCQVWLSELOOMC-UHFFFAOYSA-N 304.397 4.030 0 40 DIAB COc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1 6023140 DYDJZCUIKQZZBV-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccccc4)nc3c12 6668912 OXWNWYPXFRSSHF-UHFFFAOYSA-N 319.412 4.019 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1F 7755794 FAWTWBRUNZOWEU-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCCCCC(=O)NC(=S)Nc1cccc(Cl)c1Cl 8111882 DNLXDVCEZLTOCO-UHFFFAOYSA-N 319.257 4.387 0 40 DIAB CCC[C@H](N[C@H](C)C(=O)Nc1ccccc1C)c1ccccc1 9217986 NSKDBIAUYCFUDG-APWZRJJASA-N 310.441 4.453 0 40 DIAB C[C@H]1CCc2ccccc2N1C(=O)c1cccc(-n2cccc2)c1 12516257 GZIKBHRCLOMFOG-INIZCTEOSA-N 316.404 4.459 0 40 DIAB Cc1cc(C)cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 12609021 SPZRIUOMLSWHGK-HXUWFJFHSA-N 316.404 4.218 0 40 DIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439084 ZTJFVDZOFKJUFN-KPKJPENVSA-N 323.392 4.089 0 40 DIAB O=C(Nc1cccc2ccccc12)c1cnn(-c2ccccc2)c1 15604695 SEVGBIVSQZHJQD-UHFFFAOYSA-N 313.360 4.278 0 40 DIAB COc1ccc([C@@H](C)NC(=O)CCSc2ccccc2)cc1 20489893 HSEYCDDRTHDZPC-CQSZACIVSA-N 315.438 4.055 0 40 DIAB C/C=C/c1ccc(OCc2nc3ccc(OC)cc3[nH]2)c(OC)c1 21658818 ZUMYEHLZMWMZIE-SNAWJCMRSA-N 324.380 4.192 0 40 DIAB biogenic CCN(CC)CCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 22945566 UEBYTWSSSYFWKE-UHFFFAOYSA-N 320.864 4.340 0 40 DIAB Cc1cc([C@@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)c(C)s1 31951383 BWQSQSVZBINHSQ-PELKAZGASA-N 306.258 4.126 0 40 DIAB Fc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccccc23)cc1 33012178 MTEPKFUXNDZUGT-HNNXBMFYSA-N 323.371 4.027 0 40 DIAB O=C1C[C@H](c2ccccc2)c2snc(-c3ccc(F)cc3)c2N1 35316427 PGDMSTWLAUBDOA-CQSZACIVSA-N 324.380 4.423 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1 38772177 BBVDUOVHNLXLMN-AWEZNQCLSA-N 317.429 4.245 0 40 DIAB Cc1nc2ccc(NC(=O)N3C[C@H](C)C[C@@H](C)C3)cc2s1 40103276 GQDKQKXECCVSMI-GHMZBOCLSA-N 303.431 4.115 0 40 DIAB Cc1ccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c(Cl)c1 40105492 MPBNISIRMXHGIO-BBRMVZONSA-N 324.852 4.365 0 40 DIAB COCC(=O)Nc1cc(Cl)ccc1Oc1cccc(C)c1 40161113 ARLNQHIQKRHHCK-UHFFFAOYSA-N 305.761 4.026 0 40 DIAB Cc1ccc(CN[C@H](c2cccc(F)c2)c2nccn2C)c(C)c1 42203991 MRLGEHCQLRJUFJ-LJQANCHMSA-N 323.415 4.055 0 40 DIAB CC[C@@H](C)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889942 OZDAMKUXZNCXBL-GFCCVEGCSA-N 320.820 4.333 0 40 DIAB CSc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72216918 XFMCPSZBKYNBLN-MRXNPFEDSA-N 312.438 4.171 0 40 DIAB CCN(Cc1ccc(Cl)s1)Cc1nccn1C(F)F 73854631 WTAJQYMPZFJDGN-UHFFFAOYSA-N 305.781 4.015 0 40 DIAB CC(C)c1nsc(NCc2ccc(-c3cccnc3)cc2)n1 95964124 WTARNFHLDQTGSY-UHFFFAOYSA-N 310.426 4.336 0 40 DIAB Cc1nnc(CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)o1 96982229 JTARPMLCERPEPG-SFHVURJKSA-N 301.434 4.063 0 40 DIAB O=C(Nc1ccccc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 101110525 MMOSXTJWJAFEOQ-IGQOVBAYSA-N 324.251 4.481 0 40 DIAB Cc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 104709380 BTLFMPNCGXWJLV-QILLFSRXSA-N 303.446 4.411 0 40 DIAB CCOC(=O)/C=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1 216765183 ZMBAKXAFTCKLBP-RMKNXTFCSA-N 306.745 4.185 0 40 DIAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 219848034 ZHTWQHZSIFRSDC-KRWDZBQOSA-N 322.452 4.089 0 40 DIAB CNCCCNc1cc(C)nc2c(Oc3ccccc3)cccc12 222693100 BCYZPWGCCNVQLC-UHFFFAOYSA-N 321.424 4.357 0 40 DIAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(Cl)cc1 223090080 MOKJTKAOFNBPDU-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CCCCN1NC2(CCCCCCCCCCC2)NC1=S 225351888 LPZKCLGVIHCIRQ-UHFFFAOYSA-N 311.539 4.482 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225605506 VUMIIIPTJZAEGO-KDOFPFPSSA-N 307.434 4.254 0 40 DIAB CC(C)Oc1cccc(NC(=S)NCc2cccc(F)c2)c1 225837386 HBEVKCYFOASEKP-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB O=C(NCc1cccc2ccccc12)N1CCC(=C2CC2)CC1 238817195 BTFPORMIJFYGDM-UHFFFAOYSA-N 306.409 4.236 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 263606554 QZPGVFRDAIWANC-UOUQIJRISA-N 318.457 4.140 0 40 DIAB O=C(NCCSC1CCCCC1)c1cc2ccccc2o1 408608624 OHMNBNGAKQVLTF-UHFFFAOYSA-N 303.427 4.229 0 40 DIAB O=C(/C=C/c1cccs1)N1CCS[C@@H]1c1ccccc1F 1565523180 IOXPOAUUPQQSGN-KXPUMZMLSA-N 319.426 4.175 0 40 DIAB CCCCC[C@H](O)[C@H]1CC=C[C@H](CCCCCCC(=O)O)O1 1772591364 ADGNIITUSSHJDU-YESZJQIVSA-N 312.450 4.067 0 40 DIAB CCOc1ccccc1C(=O)Nc1nc(C(C)(C)C)cs1 413627 BQSKSLHQLYDYTG-UHFFFAOYSA-N 304.415 4.092 0 40 DIAB CCN1N=C(C)C=C(c2ccccc2)n2c1nc1ccccc12 494146 DXOAGMYDJALDCK-UHFFFAOYSA-N 302.381 4.141 0 40 DIAB CCOc1ccccc1C(=O)Oc1ccc(Br)cc1 1017131 CXHKMMVIAVZKRG-UHFFFAOYSA-N 321.170 4.067 0 40 DIAB O=C(N/C=C/c1ccco1)OCc1ccc(Cl)cc1Cl 1382458 WVASQPZPESGBRO-AATRIKPKSA-N 312.152 4.484 0 40 DIAB O=C(Nc1ccc(Br)cc1)OC[C@H]1C[C@@H]2C=C[C@H]1C2 1741261 DIIYEJWDFCRNSN-GRYCIOLGSA-N 322.202 4.210 0 40 DIAB CCCCN(CCCC)C(=O)c1cccc(NC(=O)CCC)c1 2153615 FHJJQLRYSGGHRP-UHFFFAOYSA-N 318.461 4.468 0 40 DIAB O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCCC1 2515577 GUIVEUYOKOERHR-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 2595527 NNYYFRFRGKSZST-UHFFFAOYSA-N 314.816 4.121 0 40 DIAB Cc1ccc([C@H]2C[C@H](c3ccccc3C)n3ncnc3N2)cc1C 2919766 IWESXAMWELZRNZ-RTBURBONSA-N 318.424 4.350 0 40 DIAB O=c1c(-c2cccc(Cl)c2)c[nH]n1-c1cccc(Cl)c1 3133805 LSRUOHOVDCISNX-UHFFFAOYSA-N 305.164 4.139 0 40 DIAB COc1cc(C)ccc1OCC(=O)Nc1cccc2ccccc12 3510621 SAMHKXQQRSFRQN-UHFFFAOYSA-N 321.376 4.174 0 40 DIAB COc1ccc2c(CC(=O)Nc3ccc4c(c3)CCC4)coc2c1 3556162 RWMKFTPJNLCXNQ-UHFFFAOYSA-N 321.376 4.111 0 40 DIAB Clc1ccc(-c2nnc(NCc3ccccc3)s2)cc1 4993924 IVMNJUCRUOBXPF-UHFFFAOYSA-N 301.802 4.471 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1cc(F)c(F)cc1Cl 5442972 OOTHJJUFEDUTEL-INIZCTEOSA-N 321.754 4.426 0 40 DIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 6377736 XKFOGBNRALNIQF-UHFFFAOYSA-N 315.241 4.165 0 40 DIAB O=C(CNc1cccc2ccccc12)N1CCCc2ccccc21 6867352 GOTTUJICJCTLPH-UHFFFAOYSA-N 316.404 4.231 0 40 DIAB CN(Cc1ccccc1)Cc1nnc(-c2ccc(Cl)cc2)o1 6881182 WWBHULJFWBOMCR-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CN(Cc1ccco1)C(=O)C1c2ccccc2Oc2ccccc21 7643769 BFRMBPGWENOEJR-UHFFFAOYSA-N 319.360 4.176 0 40 DIAB O=C(CCSc1ccccc1)Nc1ccc(OC(F)F)cc1 8277800 FEWCSJBYXCWTBR-UHFFFAOYSA-N 323.364 4.409 0 40 DIAB CCC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 8341300 AKMIWRLKOIJDHI-UHFFFAOYSA-N 322.202 4.078 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccc(F)c(Cl)c3)cc2n1 8798690 ZVFGNCRCYIOKHH-UHFFFAOYSA-N 304.708 4.181 0 40 DIAB CCN(C(=S)Nc1cccnc1)c1cccc2ccccc12 13879032 LHMWZUFAGBMTCH-UHFFFAOYSA-N 307.422 4.458 0 40 DIAB COc1ccc(CC(=O)Nc2ccc3sccc3c2)cc1C 13971745 HNUJLANWKPLYHG-UHFFFAOYSA-N 311.406 4.400 0 40 DIAB CC(=O)c1ccc(NC(=O)c2occc2-c2cccs2)cc1 14094459 CFZKAFPJOUPHMA-UHFFFAOYSA-N 311.362 4.463 0 40 DIAB Cc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 18151202 AJKFOFNSQVEJHE-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB CCCc1cc(C(=O)Nc2nnc(C(C)C)s2)sc1C 25323854 VIAICNJUZFWBBZ-UHFFFAOYSA-N 309.460 4.236 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)s1 26749378 UFMHZZPUICZKCB-QWRGUYRKSA-N 313.850 4.059 0 40 DIAB O=c1c(Cl)cc(C(F)(F)F)cn1CCCc1ccccc1 57501711 AJVFKNHQVZBQLJ-UHFFFAOYSA-N 315.722 4.153 0 40 DIAB Clc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)cc1 71233767 TYIYGLVIYXQXAF-UHFFFAOYSA-N 315.829 4.341 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2)cnc1N(C)Cc1ccccc1 72222361 YQHLACDBUJLJPI-FQEVSTJZSA-N 318.420 4.108 0 40 DIAB O=C(Nc1c(F)cccc1F)N1CCC(c2cccs2)CC1 77103573 ZDOMVZHDJUGFAY-UHFFFAOYSA-N 322.380 4.438 0 40 DIAB C[C@@H](C(=O)Nc1c(F)cccc1N1CCCC1)c1cccs1 78107747 WBCFCVGFYZBSDZ-GFCCVEGCSA-N 318.417 4.230 0 40 DIAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccc(Cl)cc1 79486863 SDXIAAQJEWKZAB-UHFFFAOYSA-N 311.772 4.346 0 40 DIAB O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc2cccnc12 84493770 XBGVYKTXENMODB-KRWDZBQOSA-N 322.795 4.306 0 40 DIAB Cc1nc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)cs1 96410978 FDLPMFTZYNBFEH-UHFFFAOYSA-N 312.797 4.299 0 40 DIAB C[C@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 96478893 QOBIWRZHAAGKPX-RISCZKNCSA-N 314.376 4.010 0 40 DIAB F[C@H](Oc1ccc(Br)cc1)[C@@H](F)C(F)(F)F 97437828 OWPBPPDASUOTOE-HTQZYQBOSA-N 305.040 4.024 0 40 DIAB CCCOc1ccccc1C(=O)Oc1ccc(C)cc1C(C)=O 113839008 LLWKRQVCCZKXKE-UHFFFAOYSA-N 312.365 4.206 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169682040 GCAODHPIRMXSSB-MZPHRCEOSA-N 321.492 4.150 0 40 DIAB c1ccc(-c2nsc(N[C@@H]3CCO[C@H]3c3ccccc3)n2)cc1 195533516 QJBYPLUWEPHYEQ-CVEARBPZSA-N 323.421 4.147 0 40 DIAB Brc1ccc(-c2cncc(Br)c2)cc1 238015204 FBZAWFVXJFENGX-UHFFFAOYSA-N 312.992 4.274 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2ccc(F)cc2[C@H](C)CC1(C)C 260613220 DUTPLQYTMLZYHP-MLGOLLRUSA-N 307.409 4.116 0 40 DIAB CCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 35692 DIKIZGVMQUGJMC-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB COc1ccc(/C=C/C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 525934 YUNPEDDTJNLGFQ-MCTJEOJPSA-N 313.441 4.136 0 40 DIAB CCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC 526741 RSUBSFUTPHFLEX-UHFFFAOYSA-N 315.394 4.186 0 40 DIAB biogenic CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 579759 XRFNGEKXMZNTNM-LBPRGKRZSA-N 319.788 4.145 0 40 DIAB CCc1nc2ccc(F)cc2c(C(=O)NC2CCCCC2)c1C 920356 OUFLJYNCRWNTTR-UHFFFAOYSA-N 314.404 4.307 0 40 DIAB Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 1497992 AJMZMBFVYSTERW-UHFFFAOYSA-N 303.429 4.467 0 40 DIAB Cc1cc(C)cc(OCCCCn2c(CO)nc3ccccc32)c1 1926891 BYAVYONESNBJET-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB OC(C1=Cc2ccccc2CN1)(c1ccccc1)c1ccccc1 2513776 VHJMCOPLIOUGOE-UHFFFAOYSA-N 313.400 4.067 0 40 DIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@](C)(O)C[C@]3(C)CC[C@@H]21 8616511 BKFNLZHVRLYWBD-VYJAJWGXSA-N 300.442 4.302 0 40 DIAB Cc1cccc(C(C)C)c1NC(=O)CC1(C(=O)O)CCCC1 8939746 ZXYPRFNGLNQXRP-UHFFFAOYSA-N 303.402 4.092 0 40 DIAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(F)cc1 9419663 XEEQWKLVAZYAKH-OAHLLOKOSA-N 324.311 4.003 0 40 DIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1 9503599 GPEKLHXLNZZOMR-UHFFFAOYSA-N 313.275 4.340 0 40 DIAB Cc1nn(C(C)C)c(C)c1CN1CCn2cccc2[C@@H]1C(C)C 12188594 IWSNBGPNYUCWMR-IBGZPJMESA-N 314.477 4.095 0 40 DIAB Cc1ccccc1CNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709036 AJIYACDNJLFMSN-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB CCCCN(CCCC)C(=O)C1(c2ccccc2)CCOCC1 16849121 IUWCDDIUXNPPNS-UHFFFAOYSA-N 317.473 4.164 0 40 DIAB Cc1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 20343512 VNBKQMQTPPWWLF-UHFFFAOYSA-N 316.404 4.348 0 40 DIAB COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2C)cc1 24984027 LZVNZNXDCLTJED-OAHLLOKOSA-N 321.424 4.245 0 40 DIAB c1ccc(C[C@H](c2cccc3ccccc23)N2CCOCC2)cc1 31962173 FIVPTTNCAKAAAB-JOCHJYFZSA-N 317.432 4.456 0 40 DIAB CC(C)c1nc(Nc2ccc3cn[nH]c3c2)c2ccccc2n1 32545360 ZFCOVMREKFGQHW-UHFFFAOYSA-N 303.369 4.373 0 40 DIAB O=C(Cc1ccccc1F)N(C1CC1)[C@@H]1CCc2ccccc21 40155092 VDBNUWWRYLEKSB-LJQANCHMSA-N 309.384 4.047 0 40 DIAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1 47808824 BIZYUSWBTULQON-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB COCc1ccccc1CNC(=O)Nc1cc(Cl)ccc1C 48344533 BFGVVRVOJUHIMH-UHFFFAOYSA-N 318.804 4.117 0 40 DIAB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)N1CCCCC1 72206553 NQRBCMRUEAFWPK-UHFFFAOYSA-N 309.837 4.272 0 40 DIAB CC(=O)N1CCC[C@H](c2ccc(-c3cccc(C)c3C)cn2)C1 72365872 OBFDKEWNHJXKBO-SFHVURJKSA-N 308.425 4.091 0 40 DIAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccco3)sc2C1 75296624 NMYHBNVYFHGPFI-JTQLQIEISA-N 304.415 4.139 0 40 DIAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccccc1Cl 79498155 JLIMZHMPFCGICM-UHFFFAOYSA-N 311.772 4.346 0 40 DIAB CSc1ccc(Cl)cc1NC(=O)Nc1c(C)n[nH]c1C 89865863 MUGCFHBEURKNCO-UHFFFAOYSA-N 310.810 4.046 0 40 DIAB CN(C)c1ccc(N(C)C(=O)Cc2ccc3ccccc3c2)cc1 95349786 QADXUFFJMQDCDM-UHFFFAOYSA-N 318.420 4.111 0 40 DIAB C/C1=C\CC[C@@H]2[C@@H](/C=C(\C)CC1)OC(=O)[C@H]2CN1CCCCC1 102807417 BYFVAWVWHDPHGP-ZESJEDOZSA-N 317.473 4.097 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NC(C)(C)CC(C)(C)C 224436503 TVMMMLOIZXAKKQ-INIZCTEOSA-N 305.462 4.483 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c(C)c1 225025330 ZRLSHXXWMGEVRC-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)cc(C[C@H](Oc2ccccc2Cl)C(=O)O)c1 225036272 JUHQWMCJFBUPPC-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CCc1ccccc1C[C@H](Oc1cc(C)cc(C)c1C)C(=O)O 225040800 PKYIKXTWDGSCLB-IBGZPJMESA-N 312.409 4.249 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225637336 LVPQVAXBRZRSHU-KUHUBIRLSA-N 319.445 4.316 0 40 DIAB Brc1ccc([C@H]2C[C@@H]2CN2CCCCCC2)cc1 575422142 FYRVMKCNYFMBEZ-GDBMZVCRSA-N 308.263 4.429 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2ccc(Cl)cc2)c1 2517274 MHIJOKWZOVATTI-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB CC(C)CNC(=O)c1oc2ccccc2c1COc1ccccc1 2645797 KISHFVQLNLQBFZ-UHFFFAOYSA-N 323.392 4.398 0 40 DIAB Nc1cccc2c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cccc12 4729037 LXFWPKWRSTYWCW-DLBZAZTESA-N 302.377 4.164 0 40 DIAB O=C(Nc1ccccc1F)c1ccc(COc2ccccc2)o1 5032726 AUAKSHYKUFHFQW-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB CCN(CC)CCSc1ccc(-c2ccc(Cl)cc2)nn1 5410525 HUEUOGXYMILFBP-UHFFFAOYSA-N 321.877 4.231 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)NC2CCC(C)CC2)c1 5617159 YGHYYIBALANJSK-UHFFFAOYSA-N 303.446 4.192 0 40 DIAB Nc1nc2ccccc2c(-c2ccccc2)c1CN1CCCCC1 5775581 OGNDCJSRSJDHRR-UHFFFAOYSA-N 317.436 4.470 0 40 DIAB O=C(CSc1ccccc1Cl)c1ccc2c(c1)OCO2 6351788 DWYPQKDVUMKNGS-UHFFFAOYSA-N 306.770 4.044 0 40 DIAB O=C(/C=C/c1cccc(F)c1)Nc1ccccc1N1CCCCC1 6788852 HVHUKZRTAYDQTL-VAWYXSNFSA-N 324.399 4.468 0 40 DIAB CN(Cc1ccc2ccccc2c1)C(=O)COc1cccc(F)c1 7974740 WNWFTJADEBBZQL-UHFFFAOYSA-N 323.367 4.016 0 40 DIAB C[C@H](NC(=O)c1cccc2ncccc12)c1cccc(Cl)c1 10081376 UCSYYHMFGBIWBT-LBPRGKRZSA-N 310.784 4.379 0 40 DIAB Cc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11071725 KKKZIVNCZLLYDG-UHFFFAOYSA-N 316.404 4.406 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)c2ccccc12 11691684 ZHOXBYFJEJPARK-UHFFFAOYSA-N 315.369 4.088 0 40 DIAB CC(C)Nc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 12220243 NIZNFQZBUACZGC-UHFFFAOYSA-N 313.792 4.007 0 40 DIAB CCc1cccc(CC)c1NC(=O)Cc1ccc2c(c1)CCC2 12803434 YGZWCTNCRGZFIP-UHFFFAOYSA-N 307.437 4.481 0 40 DIAB Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 20343461 OOYFPNXIRGUABP-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB O=C(CCc1ccco1)N[C@H](c1cccs1)C1CCCC1 32397197 YDLCAHOEAYRJAR-KRWDZBQOSA-N 303.427 4.321 0 40 DIAB Cc1nc2cc(NC(=O)Cn3ccc4ccccc43)ccc2s1 38488824 CJPFONMZWDFXKV-UHFFFAOYSA-N 321.405 4.198 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)Nc1ccc2c(c1)OCO2 41450230 TXPOPAZSIWHDTB-UHFFFAOYSA-N 304.733 4.021 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1cccc(Cl)c1Cl 43209799 UEVGKMFIPNOAAN-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)SCc1cccc(F)c1 45090515 LIVHQEJQSLOFFN-LBPRGKRZSA-N 319.401 4.095 0 40 DIAB CCOC(=O)c1cc(-c2ccccc2Oc2ccccc2)on1 45300344 WWPIDNZYIFYJOQ-UHFFFAOYSA-N 309.321 4.311 0 40 DIAB CCC[C@H](C)N(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256092 QOQZIVLSDZPOFP-AWEZNQCLSA-N 319.449 4.242 0 40 DIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N1CCCCC1 51086110 MGHNXXJBACJRLB-INIZCTEOSA-N 308.425 4.486 0 40 DIAB c1csc(CCN2CCC[C@H](c3nc4ccccc4o3)C2)c1 58159791 HMLRPJFTJCLUAV-AWEZNQCLSA-N 312.438 4.311 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCc2ccccc21 58407117 XZDWPQISOLDHCJ-QGZVFWFLSA-N 321.420 4.095 0 40 DIAB Cc1cc([C@H](O)c2ccccc2)cnc1N(C)Cc1ccccc1 72222360 YQHLACDBUJLJPI-HXUWFJFHSA-N 318.420 4.108 0 40 DIAB NC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 73635295 HNDNYELHWHKYOP-UHFFFAOYSA-N 323.204 4.369 0 40 DIAB COc1cccc(-c2nc(COc3ccc(C)cn3)cs2)c1 77240538 JQAOIARPCRYBOU-UHFFFAOYSA-N 312.394 4.101 0 40 DIAB Cc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cs1 84274874 LTLGILJFOWOMBM-UHFFFAOYSA-N 305.403 4.273 0 40 DIAB CCc1nc(CN[C@H](C)c2ncc(-c3ccccc3)o2)cs1 97112299 LKGAMUZDKFEEKR-GFCCVEGCSA-N 313.426 4.211 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)NC(C)(C)Cc1ccccc1 224655850 QLFDQOAQTUNSEH-HNNXBMFYSA-N 313.466 4.305 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225629711 UAFAMLGFGWJQGP-AWEZNQCLSA-N 309.409 4.065 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)CCCC2 225630879 JARSJNCOGHLYPC-UHFFFAOYSA-N 309.453 4.264 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1)C1CC1 225670861 QALJHLOSIBCDMV-IFXJQAMLSA-N 319.445 4.398 0 40 DIAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2conc2c1 409195545 QTASCMOAOWHAAJ-UHFFFAOYSA-N 305.447 4.329 0 40 DIAB CCOc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)cc1 431002 KEHVNHPRFKBJJE-LQZBDKQGSA-N 319.360 4.095 0 40 DIAB O=C(CSc1ccccc1)Nc1cccc(Br)c1 578058 DTCQAVISOUCYQC-UHFFFAOYSA-N 322.227 4.180 0 40 DIAB CC(C)c1ccc(C(O)(C(=O)O)c2ccc(C(C)C)cc2)cc1 1710995 WFNUWRHILYVJAG-UHFFFAOYSA-N 312.409 4.254 0 40 DIAB in-vitro CCOC(=O)CCCCC(=O)c1cc(Cl)cc(Cl)c1 2378900 ASPUOOKPZNSWBN-UHFFFAOYSA-N 303.185 4.300 0 40 DIAB COc1ccc(NC(=O)CCOc2cccc(C)c2)cc1Cl 2647413 IDBLTBTYQORRGH-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 4897847 VUEZNONIYWVUJQ-IRXDYDNUSA-N 322.452 4.413 0 40 DIAB Cc1ccc(C2=NNC(c3ccccc3)=Nc3ccccc32)cc1 4957088 KUYGNNDNRCLGID-UHFFFAOYSA-N 311.388 4.429 0 40 DIAB Cc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)cc1C 5034393 AKUHTQVHYNVDME-CSKARUKUSA-N 305.377 4.274 0 40 DIAB CCSc1ccc(C(=O)[C@]2(C)Cc3ccccc3CN2)cc1 5618482 LGPRKQWPXZPGFU-IBGZPJMESA-N 311.450 4.086 0 40 DIAB Cc1ccsc1-c1n(O)c2c([n+]1[O-])-c1cccc3cccc-2c13 6223549 YFMPRSGIUJQIGG-UHFFFAOYSA-N 320.373 4.196 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccccc2Cl)c1 6238659 LEEAJUPAYCINIM-UHFFFAOYSA-N 304.802 4.352 0 40 DIAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1Cc1ccccc1 6542940 KENNCAPANAJUCK-KRWDZBQOSA-N 322.452 4.090 0 40 DIAB COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(OC)c1 6758878 MIFGLWQRGGIFFF-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB CC(C)C(=O)Nc1oc2ccccc2c(=O)c1-c1ccccc1 6759428 ZRYYVBZXKKJMDC-UHFFFAOYSA-N 307.349 4.055 0 40 DIAB CCc1nnc2c(Nc3ccc(Cl)cc3)nc3ccccc3n12 6792009 SJMWHHKKUGIAES-UHFFFAOYSA-N 323.787 4.237 0 40 DIAB CCC(=O)Nc1ccc(-c2csc(-c3ccccn3)n2)cc1 7845292 IYUOQPMZRYEVAY-UHFFFAOYSA-N 309.394 4.221 0 40 DIAB O=C(CNc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 7971637 DMQBCMZVCWBNPS-UHFFFAOYSA-N 313.159 4.183 0 40 DIAB CC(C)(C)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 9141110 SVHLOARWSVWHKQ-UHFFFAOYSA-N 308.381 4.157 0 40 DIAB O=C(Nc1cccc2cccnc12)c1ccc(F)cc1Cl 9883148 UIQMQZZYSIHKNT-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1 12111537 GTRDWJNKIKAOTA-UHFFFAOYSA-N 315.369 4.323 0 40 DIAB Cc1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1 12863767 MLUODQRTBIWWBD-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1 12896631 YXSJEQJWDNIOPP-GFCCVEGCSA-N 313.401 4.475 0 40 DIAB Fc1ccc(NC(=S)NCc2ccccc2Cl)c(F)c1 13817166 ZWLBRZJNTDVYOD-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1 16476738 LTIABDZZBSILRW-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1C(F)(F)F 20859034 WWKJRFISFSBEIK-LLVKDONJSA-N 305.299 4.297 0 40 DIAB Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22524186 PDJLGRFMMHFHSN-UHFFFAOYSA-N 322.452 4.479 0 40 DIAB Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)oc2ccccc12 24183117 ISAAAYHGYQGWMO-LLVKDONJSA-N 311.303 4.156 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCCC[C@H]1C 24475374 RRFSSPXSIYIAKV-RDTXWAMCSA-N 308.425 4.366 0 40 DIAB O=C1O[C@H](CC(=O)c2ccc3ccccc3c2)C(Cl)=C1Cl 26329930 KYLYVKJDKZAHSY-CYBMUJFWSA-N 321.159 4.027 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 30860435 IBRGUDZWJOVAAC-MRXNPFEDSA-N 313.466 4.443 0 40 DIAB CC[C@@H](C)n1nccc1NC(=O)c1ccc(Cl)cc1Cl 32647791 PMOZLKXBXFBHFW-SECBINFHSA-N 312.200 4.413 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 35828506 VAWPWBMZIDUEHE-MCIONIFRSA-N 318.461 4.229 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)c1 38757118 JPYHGTCBFWHOFH-CABCVRRESA-N 315.388 4.087 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c(C)c1 40068038 WXEKJYZRZAHZKK-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccccc1F 40156847 MZIYSLFFAVIEEV-UHFFFAOYSA-N 308.356 4.392 0 40 DIAB CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(C(=O)O)cc1 40449467 JXQNONOTKARTIG-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB Cc1cc(OCC[C@@H]2CCCNC2)c(Cl)c(C)c1Cl 42773703 XHEDULLYAGTNIJ-LBPRGKRZSA-N 302.245 4.379 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1C 51354560 OETGLUGHRKGENF-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB CC(C)Cc1noc(CN(Cc2ccc(Cl)cc2)C2CC2)n1 52075611 ANJMFFMVVJSFGT-UHFFFAOYSA-N 319.836 4.086 0 40 DIAB Clc1c(CN2CC[C@@H](N3CCCC3)C2)sc2ccccc12 58328260 OWRZBSFQPPZYLN-CYBMUJFWSA-N 320.889 4.225 0 40 DIAB CC[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1c(C)noc1C 69457479 PEAMTNBKTKKZJW-ZDUSSCGKSA-N 324.327 4.025 0 40 DIAB Cc1[nH]c2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2c1C 74142088 UQYICVUNKDSPGK-UHFFFAOYSA-N 308.381 4.183 0 40 DIAB FC(F)(F)c1ccnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 74158122 RETXJQZFRSZBLX-HTQZYQBOSA-N 313.245 4.028 0 40 DIAB Cc1ccc(NCc2ccc(I)cc2)cc1 82266748 NFMKTUWCOYLWBB-UHFFFAOYSA-N 323.177 4.212 0 40 DIAB Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)cc(C)n1 89587393 LAJZPHHRDCKEHO-UHFFFAOYSA-N 320.845 4.224 0 40 DIAB Fc1ccc(Br)cc1-n1ccnc1-c1ccccc1 95915649 DFKUZJOGZSPHKA-UHFFFAOYSA-N 317.161 4.441 0 40 DIAB Cc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)c(C)c1 225057019 PPFXUPNUQFCWPL-UHFFFAOYSA-N 308.425 4.180 0 40 DIAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)cc1 225073226 JHOXFZCHJJQLHQ-INIZCTEOSA-N 304.773 4.032 0 40 DIAB CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(C(C)C)cc1 225467444 GPZBVKCOCKLFGM-UHFFFAOYSA-N 311.429 4.274 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225691634 UIZRYEKQBZDVMV-KBXCAEBGSA-N 307.434 4.398 0 40 DIAB CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 408819124 ZQNSARVFPPNFDN-JYRVWZFOSA-N 319.769 4.266 0 40 DIAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccnc1 360372 LFZZJFYADPWCQD-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB CCCCn1nc(NC(=O)C(C)C)c2cc3cccc(C)c3nc21 2409734 UIHAIMZNZAQKMA-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 2512588 AGDSBWDTSPHHOB-UHFFFAOYSA-N 307.393 4.340 0 40 DIAB O=[S@]1OC(c2ccccc2)(c2ccccc2)c2ccccc21 4668722 LWRPDCKRHOITMI-JOCHJYFZSA-N 306.386 4.031 0 40 DIAB CCn1cc(NC(=O)Nc2ccccc2OC)c2ccccc21 5266138 WESKLNYBXCXHSW-UHFFFAOYSA-N 309.369 4.314 0 40 DIAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 5841945 AELQNURMGOYPDV-UHFFFAOYSA-N 316.788 4.187 0 40 DIAB COc1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 6152201 QITYHCWDSRCKJG-NSHDSACASA-N 301.411 4.134 0 40 DIAB CC(C)c1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 7225118 WJDHWCAUWRQVRT-CYBMUJFWSA-N 300.377 4.388 0 40 DIAB O=C(OCc1ncc(-c2ccccc2)o1)c1c[nH]c2ccccc12 7509039 SOKZCHBNQSSATP-UHFFFAOYSA-N 318.332 4.180 0 40 DIAB CCc1ccccc1NCc1cc2ccc(C)c(C)c2[nH]c1=O 12492926 GCRCUOUWMQFZKB-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 12799735 JCNLEXDSNWCONS-CYBMUJFWSA-N 315.800 4.087 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 12976604 VGKBQWVOSIBCNB-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(OC(F)F)c1 14909926 HOFWAYNIOJIYSN-ZDUSSCGKSA-N 319.351 4.039 0 40 DIAB CCOc1ccc(NC(=S)Nc2cc(Cl)ccc2O)cc1 17056323 MNBDZOVRJUZEJP-UHFFFAOYSA-N 322.817 4.253 0 40 DIAB Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc(F)cc1 22526956 ZHBGWJQRGHUTSB-CQSZACIVSA-N 317.429 4.245 0 40 DIAB COc1ccc2cc(C(=O)NCCC3=CCCCC3)c(C)nc2c1 27107772 OECLBYFAXIETSE-UHFFFAOYSA-N 324.424 4.172 0 40 DIAB CC1CCC(N(C)CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 32751522 RROJKFXPLIZYCS-SLTAFYQDSA-N 322.880 4.028 0 40 DIAB C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)s1 33193457 HPLLJVARTCVZBZ-ZETCQYMHSA-N 301.745 4.171 0 40 DIAB CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCc2ccccc21 39976099 LIHPYKJJQQBBGW-QGZVFWFLSA-N 301.336 4.114 0 40 DIAB Cc1cc(C)c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 40525464 YPZDASFYLWJTTA-CYBMUJFWSA-N 314.351 4.418 0 40 DIAB CCOc1cccc(CNC(=S)Nc2cc(C)cc(C)c2)c1 44155694 WWGKHWNSZHSGGN-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB CN(C(=O)Cc1noc2ccccc12)c1cccc2ccccc12 56225633 HTIZICWMXVWCNQ-UHFFFAOYSA-N 316.360 4.187 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 58394194 FVYFXFWGVDRFIX-JUSIWWAJSA-N 324.424 4.429 0 40 DIAB CCSc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cn1 69370169 RZMIFHYHTFVQNB-HUUCEWRRSA-N 316.401 4.075 0 40 DIAB CC(=O)c1ccc(OCc2nc(-c3ccco3)oc2C)cc1F 69739103 DKLWIQPUFALJBT-UHFFFAOYSA-N 315.300 4.164 0 40 DIAB O=C(Cc1cccc(Br)c1)Nc1cccc(Cl)c1 72064037 IUUCTLKMVMJGRO-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 72214691 ZWVCTPSCZUKVOT-OAHLLOKOSA-N 319.449 4.048 0 40 DIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccco3)sc2C1 75296623 NMYHBNVYFHGPFI-SNVBAGLBSA-N 304.415 4.139 0 40 DIAB FC(F)n1ccnc1COc1ccc(Oc2nccs2)cc1 81081620 NFCDDTIVVLDZBH-UHFFFAOYSA-N 323.324 4.106 0 40 DIAB Fc1cccc([C@H](NCc2ccccc2)C(F)(F)F)c1F 95347733 QBQRCPAYNRTITP-AWEZNQCLSA-N 301.258 4.358 0 40 DIAB in-vitro CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1OC 108024312 FOBAGUUKDZHDNB-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB Cc1ccc(CC(=O)NCc2cccc3ccccc23)cc1C 222862800 KIZMJLOPMXTQED-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2c(C)cccc2C)cc1 225773654 HGLUOYLBHYZQLQ-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Clc1cc(Br)cnc1N1Cc2ccccc2C1 236050533 ZARRGPAOAFHGGA-UHFFFAOYSA-N 309.594 4.018 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@H]4CO 252463597 HHAMKMUMKLXDFQ-QFRQHSMFSA-N 320.473 4.092 0 40 DIAB biogenic,in-vitro C[C@H]1CN(Cc2cccc(O)c2Cl)[C@@H](c2ccccc2)CO1 508750296 YVGIPOIZYJFAAN-XJKSGUPXSA-N 317.816 4.008 0 40 DIAB O=C(O)[C@H]1CC[C@H](C(F)(F)c2cc(Cl)nc(Cl)c2)CC1 1857794812 LFRRYXPQSLKYNV-ZKCHVHJHSA-N 324.154 4.371 0 40 DIAB c1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1 137292 OSVTVCSISMSMCW-UHFFFAOYSA-N 323.359 4.031 0 40 DIAB CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1C)OCO2 1584165 WWTHGLPDLBGQDL-CYBMUJFWSA-N 314.381 4.283 0 40 DIAB Cc1ccc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)cc1C 2740471 KHRMXBGVUKZUGE-UHFFFAOYSA-N 301.340 4.498 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 3217752 MXMVILAVYUVPKY-LBPRGKRZSA-N 317.841 4.410 0 40 DIAB CCOC(=O)c1c(NC(=O)CC2CCCC2)sc(C)c1C 3258491 INWLXCUYRDHKJU-UHFFFAOYSA-N 309.431 4.060 0 40 DIAB Cc1cccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)c1 3478164 RNLTVCJLRKVPAT-UHFFFAOYSA-N 321.471 4.297 0 40 DIAB COc1ccc2c(CSCc3ccccc3)cc(=O)oc2c1 5736381 JAOWVCGKYIMYGJ-UHFFFAOYSA-N 312.390 4.235 0 40 DIAB O=C(Nc1ccnn1C1CCCCC1)c1cc2c(s1)CCC2 6583362 HBLILYXMIGEBJC-UHFFFAOYSA-N 315.442 4.191 0 40 DIAB COc1cccc(CNCC(C)C)c1OCc1ccccc1F 6883655 IZXVXEMQQXJDMJ-UHFFFAOYSA-N 317.404 4.159 0 40 DIAB Cc1ccc(C(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 8550644 MHJJHKBCGGWKIP-UHFFFAOYSA-N 324.405 4.372 0 40 DIAB O=C(Nc1cc(F)ccc1F)c1ncc(-c2ccc(F)cc2)o1 9322294 YBOPKDXCXODRJJ-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB COc1ccc(SCC(=O)Nc2cccc(C)c2C)cc1 10022875 OJLOHVPJMLYPET-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CCc1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 10958964 RKICCQYLNHKMSZ-UHFFFAOYSA-N 322.412 4.135 0 40 DIAB Cc1c(C(=O)N2CCCc3ncccc32)sc2ccccc12 12597784 VYAWMXSRFKCMTM-UHFFFAOYSA-N 308.406 4.198 0 40 DIAB CCC(CC)NC(=O)N[C@H](c1ccccc1)c1cccs1 12866727 IKKFSLUPZGBPDB-MRXNPFEDSA-N 302.443 4.325 0 40 DIAB C/C=C/[S@@](=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1 17379559 MERGGXKGUHOUGN-BBYTVTEQSA-N 319.451 4.078 0 40 DIAB Nc1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12 19721749 LUSHUNTWQUCZDU-UHFFFAOYSA-N 304.271 4.383 0 40 DIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C)nc1 23443256 BMJYWILCGUJFNX-UHFFFAOYSA-N 302.805 4.421 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1Cc1ccco1 25441306 SWCPLTIWMWIHHP-ACJLOTCBSA-N 314.429 4.055 0 40 DIAB CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 27818692 KJYDXIQNMNXSEV-INIZCTEOSA-N 303.764 4.239 0 40 DIAB Cc1ccc(Cn2cc(NC(=O)Nc3ccc(C)cc3)cn2)cc1 27920116 XJQJVSVOMYDSDP-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3C)o2)n1 27972603 JFSCPQAOTKIFJW-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB Cc1csc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)n1 32830335 JMWNKSXCWIIHKY-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](C)c1ccccc1 35568028 OAFZPVSSZNZDSU-UONOGXRCSA-N 317.816 4.027 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccccc1 39970392 MOXSYYDAHBPJQX-KRWDZBQOSA-N 312.438 4.059 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Cl)cn1 40062729 ZGQAHMIVUJFYBM-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB CC(C)c1nccn1Cc1cccc(NC(=O)CC(C)(C)C)c1 48364342 NHKFNDKFPUYZNF-UHFFFAOYSA-N 313.445 4.430 0 40 DIAB CCn1ccc2cc(NC(=O)Nc3ccccc3OC)ccc21 58030967 CEMVOMMFKRPWPU-UHFFFAOYSA-N 309.369 4.314 0 40 DIAB CC(C)c1ccc(NC(=S)NCCCOC2CCCC2)cc1 60837162 WEWCWOBDOXCOBN-UHFFFAOYSA-N 320.502 4.446 0 40 DIAB CC(C)Oc1ccccc1NC(=O)Cc1cccc(Cl)c1 67813711 IDXMSOMGKUCZOB-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB CCCCOc1ccc(NC(=O)NCc2cc(C)oc2C)cc1 70640552 XIZIDKUXJALBRI-UHFFFAOYSA-N 316.401 4.397 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3C)n2c1 71459182 IVZBLSNMGMHCFS-UHFFFAOYSA-N 313.788 4.165 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1ccco1 71909344 PJYGXVIVFIMWGF-SFHVURJKSA-N 322.408 4.447 0 40 DIAB FC(F)(F)c1ccc(Cc2cccc([C@H]3CCCNC3)n2)cc1 72348408 CAEPBRBHYYGFKD-AWEZNQCLSA-N 320.358 4.158 0 40 DIAB Cc1ccc2oc(-c3ccc(N)cc3Br)nc2c1 73639309 FTTDVQCYWAFVMN-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C1CCCCC1 84023304 LBHPIUQRADOYGT-UHFFFAOYSA-N 317.433 4.231 0 40 DIAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cccs1 96117492 GDOQWYNAIITPNE-AWEZNQCLSA-N 314.385 4.176 0 40 DIAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1Oc1ccccc1 101209896 WOBIHONMGPBCLR-HOTGVXAUSA-N 321.376 4.159 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1 140586264 QVVJENQHQZHYFG-CQSZACIVSA-N 301.817 4.020 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1F 224615895 NGLQVJRBJZODGM-GDBMZVCRSA-N 309.425 4.316 0 40 DIAB CCCOC1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCCC1 225655755 DONSDNJWZUUMKZ-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB Cc1csc(NCc2ccc(-c3ccccc3C(=O)O)cc2)n1 257337823 YUNZAHROMLGISH-UHFFFAOYSA-N 324.405 4.429 0 40 DIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3C)S2)cc1 408773587 VKAZEOZGLPZMEE-LYPXWFNGSA-N 324.449 4.157 0 40 DIAB Oc1nc(-c2cccnc2)nc2sc3c(c12)CCCCCC3 408988708 IYOPWFOMXBFTPN-UHFFFAOYSA-N 311.410 4.118 0 40 DIAB O=C(C[C@@H]1C[C@H]1c1ccccc1)NC1(c2ccccc2F)CC1 585081180 DMTPKHRLOCTMMN-HOTGVXAUSA-N 309.384 4.125 0 40 DIAB O=C(/C=C/c1ccsc1)NCCCc1cc2ccccc2o1 618255832 JPXDUPHFCYIXQE-BQYQJAHWSA-N 311.406 4.257 0 40 DIAB COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2Cl)c1 579394 NWYZJGZDVZCBQS-JXMROGBWSA-N 317.772 4.009 0 40 DIAB O[C@@]1(c2ccccc2)C[C@H](c2ccccc2)Oc2ccccc21 1023935 VBRFJCHHHLDPTG-NHCUHLMSSA-N 302.373 4.446 0 40 DIAB Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 1350487 KPKIKRYRORXOLN-KRWDZBQOSA-N 320.396 4.240 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2cccc(C)c2C)cc1 2517431 MRYZPFFXUNAEQN-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB Cc1ccc(-n2nnnc2SCc2cc(C)ccc2C)c(C)c1 3367924 MQTKVAJWEMHQRC-UHFFFAOYSA-N 324.453 4.188 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 3480110 FZJMOVNGQJWXBE-LLVKDONJSA-N 324.207 4.077 0 40 DIAB CSc1cccc(NC(=O)COc2cc(C)ccc2C)c1 3608591 SJVNKBPWNYEBRU-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB CCCCCCC(=O)[C@@H]1O[C@H]1CCCCCCCCC(=O)O 4410609 UMXHXBIKJIORIB-WMZOPIPTSA-N 312.450 4.499 0 40 DIAB C[C@@H]1CCc2cc(F)ccc2N1Cc1nnc(-c2ccccc2)o1 4734435 VGMLJFDQVCXSIF-CYBMUJFWSA-N 323.371 4.217 0 40 DIAB Cc1ccc(F)c(NC(=O)c2cccc(Br)c2)c1 5510070 WNVFSXJCWZTBDM-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(Cc1ccsc1)Nc1nc(-c2ccccc2)cs1 5558039 YJGLCIKATVHQLF-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB CCCn1c(NC(=O)c2cccc(Cl)c2)nc2ccccc21 6308760 TWDNVHARCGDFLV-UHFFFAOYSA-N 313.788 4.352 0 40 DIAB CCc1ccc(NC(=O)CSCc2cccc(F)c2)cc1 7145873 HCOMLRNVWZVKGK-UHFFFAOYSA-N 303.402 4.260 0 40 DIAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1 9458809 NLZCYEVPLVDPAP-UHFFFAOYSA-N 324.424 4.038 0 40 DIAB COc1ccc2cc(CNc3c(C)cc(C)cc3C)c(=O)[nH]c2c1 12493312 SINBAVDTDUJRAO-UHFFFAOYSA-N 322.408 4.074 0 40 DIAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)o1 12523485 VZFMTNFVLVJCCC-UHFFFAOYSA-N 304.777 4.176 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 14006492 SPMSNDQEEXWIBK-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-n2cccc2)cc1 18008908 MAFCXNBNQOWYBT-UHFFFAOYSA-N 324.811 4.403 0 40 DIAB O=C(/C=C/c1ccco1)OCc1csc(-c2cccs2)n1 18770221 FTSRKZZWKNQBTL-AATRIKPKSA-N 317.391 4.221 0 40 DIAB CCC[C@H](NC(=O)c1ccc(C(C)=O)s1)c1ccccc1 21929066 YWHXTNCHZDLKGC-AWEZNQCLSA-N 301.411 4.222 0 40 DIAB O=C(NC1(c2ccccc2)CCC1)c1ccc(OC(F)F)cc1 25044161 YCGGAWMMRJOJRB-UHFFFAOYSA-N 317.335 4.097 0 40 DIAB CC(=O)Nc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1 27218359 YLLWRYLELGELQY-GFCCVEGCSA-N 302.443 4.174 0 40 DIAB CCC(=O)c1ccc(OCc2nnc(-c3ccc(C)cc3)o2)cc1 31606833 UKZWGWAYSBQGKY-UHFFFAOYSA-N 322.364 4.217 0 40 DIAB CN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 32512298 WTIUZIKYZLCUBC-GOSISDBHSA-N 319.408 4.246 0 40 DIAB Cc1ccc(C)c(Sc2ccc(C(=O)N3CCCC3)cn2)c1 32828956 RTIBYAXUYJKZQW-UHFFFAOYSA-N 312.438 4.086 0 40 DIAB COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1O 48324795 PTPHKWHMVUFOBD-CQSZACIVSA-N 307.393 4.405 0 40 DIAB C[C@@H](Sc1nccn1C1CC1)c1nc(-c2ccccc2)no1 54783674 LUHDYQSSTDREFI-LLVKDONJSA-N 312.398 4.121 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccccc1C 55704101 MADPAZUTDCVPDF-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB Cc1cc(N)c2oc(-c3cccc(Br)c3)nc2c1 62562628 RQXQWAFTAFWCST-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1cc(NC(=S)Nc2ccc3c(c2)CCC3)ccc1F 71760583 ORRWUCBAALBSTG-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB O=C(CCc1ccncc1)Nc1cccc(NC2CCCC2)c1 71910826 OIFVJTVRRJWCRA-UHFFFAOYSA-N 309.413 4.007 0 40 DIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72215080 JRMREBSOOCXLHH-ZDUSSCGKSA-N 317.433 4.205 0 40 DIAB Cc1cc(C)c(NC(=O)c2cnn(Cc3ccccc3)c2)c(C)c1 96956422 BWZRVAGZRWCEKL-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB COC(=O)c1sc2c(Br)ccc(F)c2c1Cl 98073396 UHFJFXCPHLTILG-UHFFFAOYSA-N 323.570 4.243 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101398287 QAPNWNUZRUXEPP-JQIDMEAISA-N 321.848 4.048 0 40 DIAB COC(=O)c1cc(NC(=O)OC(C)(C)C)cc(C(C)(C)C)c1 114150597 HKMQGDVQUHCBRQ-UHFFFAOYSA-N 307.390 4.118 0 40 DIAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2cc(C)ccc21 223231968 MLTXPJQBIBTKPZ-UHFFFAOYSA-N 311.381 4.488 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)COc1cccc2c1CCCC2 225106590 FZJQHQZHXGSIMP-UHFFFAOYSA-N 317.473 4.275 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2ccc(F)c(F)c2)c1 225392628 QNHDXZFCCZYYNH-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 225629448 VYIDVFLHPRBFKJ-UHFFFAOYSA-N 323.436 4.283 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@]2(C)O 263612235 XYSMGHMDSVPTRB-MMZOZDDWSA-N 302.458 4.269 0 40 DIAB CC(C)c1occc1C(=O)Nc1ccc(N2CCCCC2)nc1 279989573 LNQZXBOLDDVAGV-UHFFFAOYSA-N 313.401 4.041 0 40 DIAB CCn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 409128867 SQGHRLQXSCNKMI-DHDCSXOGSA-N 314.410 4.106 0 40 DIAB c1cc2c(-c3noc([C@H]4C[C@H]4C4CCCCC4)n3)cc[nH]c-2n1 569191260 UWJLQLXXWPFZDP-GJZGRUSLSA-N 308.385 4.248 0 40 DIAB Fc1cccc(Cc2cnc([C@H]3CCN(C4CCCC4)C3)o2)c1 2037697425 KZKMQMPXKYDRIZ-HNNXBMFYSA-N 314.404 4.136 0 40 DIAB COC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 36716 BGCVFSXZSIZOFY-UHFFFAOYSA-N 308.362 4.003 0 40 DIAB Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1 42154 BPPQHFRCYWDKES-UHFFFAOYSA-N 305.255 4.182 0 40 DIAB Cc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)c(C)c1 187784 BMESTBJGQQVWBW-UHFFFAOYSA-N 310.422 4.343 0 40 DIAB Cc1ccccc1-n1c(S)nnc1Cc1ccc(Cl)cc1 520774 SKKNQQQYZITNHY-UHFFFAOYSA-N 315.829 4.109 0 40 DIAB Cc1ccc(C)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 2121110 MLTZTRYTIVCMFD-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CCC2 2630830 ICFLXVGVHFEUNQ-LBPRGKRZSA-N 315.800 4.235 0 40 DIAB CC[C@@H](C)c1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 2653634 ZJLRGLOBTUSCEA-OAHLLOKOSA-N 322.408 4.095 0 40 DIAB Clc1cnc2[nH]c(-c3ccc(Br)cc3)nc2c1 5323225 XPAXUFVDAHRGSM-UHFFFAOYSA-N 308.566 4.041 0 40 DIAB CC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C 5724481 KPGOJIFFBBCHRZ-UHFFFAOYSA-N 300.745 4.415 0 40 DIAB COc1cc2c(cc1OC)[C@H](C1CCCCC1)NC(C)(C)C2 6393117 LWVHLUFONCPCLO-SFHVURJKSA-N 303.446 4.250 0 40 DIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCC1 6553704 MFZHIKKXILQCPJ-UHFFFAOYSA-N 301.308 4.233 0 40 DIAB COc1ccc(-c2nc3cnccn3c2Nc2ccccc2)cc1 6732860 DXEQLYOXGJTXBJ-UHFFFAOYSA-N 316.364 4.149 0 40 DIAB CCCCn1c(COc2cccc(OC)c2)nc2ccccc21 6753106 VLCDWBWEKLUIIZ-UHFFFAOYSA-N 310.397 4.424 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc2ccccc2c1 7223759 WQIWKZXBSSXIFY-CQSZACIVSA-N 320.392 4.288 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc[nH]c1=S 7986762 RLOPXIWZVRYKPR-UHFFFAOYSA-N 320.417 4.264 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Sc2ncccc2Cl)cc1 8734563 NVXOMMZDIKDJSE-NSHDSACASA-N 306.818 4.163 0 40 DIAB Cc1cccc(NC(=O)c2nc(SC(C)C)ncc2Cl)c1 8916087 FVVPHDVRHLZVKJ-UHFFFAOYSA-N 321.833 4.191 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 9816822 UVRHLUQUTATTCO-LBPRGKRZSA-N 319.788 4.145 0 40 DIAB CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 12442799 CMNJYSBAGBCSTO-UHFFFAOYSA-N 316.407 4.377 0 40 DIAB CCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)O 12496444 XEBKSQSGNGRGDW-GJWDQICYSA-N 314.466 4.050 0 40 DIAB endogenous,in-man Cc1nc(-c2ccc(NC(=O)c3c(C)oc(C)c3C)cc2)co1 12739262 AHAOYGJIVFIYBT-UHFFFAOYSA-N 310.353 4.421 0 40 DIAB Cc1c(C(=O)NC2CCCC2)oc2ccc(Br)cc12 14240102 CEXDXXIFPFVYLL-UHFFFAOYSA-N 322.202 4.176 0 40 DIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 14254367 MEMMCGMUXZAFCG-UHFFFAOYSA-N 309.818 4.264 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F 15331634 PICYCNFHTKTXPV-SECBINFHSA-N 311.715 4.024 0 40 DIAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cn2c1 24002957 CDMXVUDFZULFRY-UHFFFAOYSA-N 307.397 4.294 0 40 DIAB CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCCc2ccccc21 24829961 DBKQBWBEEIPDOQ-NRFANRHFSA-N 317.436 4.382 0 40 DIAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccccc1F 25061343 WONGYDNYMJSVJQ-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB O=C(O)CCCc1c(-c2cccnc2)[nH]c2ccc(Cl)cc12 27586484 BEUSIZZDUCXRLX-UHFFFAOYSA-N 314.772 4.291 0 40 DIAB O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccccc1Cl 28231603 KIRBPDSVCQWTSE-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB C[C@H](NC(=O)NCc1ccc(F)cc1)c1ccc(Cl)s1 28409681 YMCGBRUZBBNJDA-VIFPVBQESA-N 312.797 4.101 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 29026511 CPBRNCXWUVRSSM-UHFFFAOYSA-N 309.409 4.498 0 40 DIAB COc1cccc(NC(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)c1 32893533 FIGKCGLALJEETD-LRDDRELGSA-N 314.385 4.076 0 40 DIAB Cc1cccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)N2C)c1 33446410 WGROVLNZKXPJDN-UYRXBGFRSA-N 320.436 4.241 0 40 DIAB C[C@@H](Cc1cccs1)NC(=O)NCc1cccc2ccccc12 38489512 PRMDOVYXHHOSMQ-AWEZNQCLSA-N 324.449 4.332 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1 40090511 FNTOTVCLGSHFPD-SNVBAGLBSA-N 307.365 4.178 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40525606 MJOUIZUSYWEWIJ-JTQLQIEISA-N 320.742 4.455 0 40 DIAB CC[C@H](C)c1ccc(O[C@@H]2CCCNC2)c(Br)c1 42774562 QCMRKGDUFPJXTK-WCQYABFASA-N 312.251 4.093 0 40 DIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1 79112288 PCVMAMYJBRNRIM-MRXNPFEDSA-N 322.389 4.333 0 40 DIAB Cc1cccc([S@](=O)Cc2ncc(-c3cccs3)o2)c1 96461114 HKCSNSNKKDDULT-FQEVSTJZSA-N 303.408 4.019 0 40 DIAB Cc1nc2cc(-c3ccc(-c4ccccc4)cc3)nn2c(O)c1C 100528668 SXRLQBHDFCBJTH-UHFFFAOYSA-N 315.376 4.386 0 40 DIAB Cc1nn2c(O)cc(Cc3ccccc3)nc2c1-c1ccccc1 104038666 WGBQFRGJNPHFNI-UHFFFAOYSA-N 315.376 4.001 0 40 DIAB CCc1cc2c(=O)n3c(nc2s1)/C(=C\c1cccs1)CC3 105625447 OKLCMAZHBXDCPI-NTMALXAHSA-N 314.435 4.026 0 40 DIAB CCCCc1ccc(NC(=O)c2cnc(C3CC3)nc2C)cc1 222567403 BGOQNMAKUICRSH-UHFFFAOYSA-N 309.413 4.257 0 40 DIAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223189639 UBOAVMCSNGFINV-MRXNPFEDSA-N 307.437 4.294 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)NC(C)(C)CC(C)(C)C 224612324 WTTUEHMDUCFLIM-AWEZNQCLSA-N 321.461 4.184 0 40 DIAB CCCOc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl 225627640 GNOSGPFXFXZNEM-UHFFFAOYSA-N 311.809 4.027 0 40 DIAB CCCCCC(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226352188 SVTGLPBITLJAIZ-UHFFFAOYSA-N 315.369 4.472 0 40 DIAB Cc1cccnc1Nc1cccc(C2CCN(CC3CC3)CC2)n1 257241235 HXFUPPWJSJUDIQ-UHFFFAOYSA-N 322.456 4.118 0 40 DIAB Cc1ncnc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1C 1888944479 JPEGCQSRVPVBSE-UHFFFAOYSA-N 318.380 4.089 0 40 DIAB CC(C)C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 306666 PNEPXGCGMFBSLN-UHFFFAOYSA-N 303.431 4.097 0 40 DIAB CCOC(=O)c1cc(C)n(CCc2c[nH]c3ccccc23)c1C 485708 MTMGGVXWYJJDRN-UHFFFAOYSA-N 310.397 4.006 0 40 DIAB biogenic O=c1cc(-c2cccs2)oc2ccc(Br)cc12 521086 DFZPACGNTUDSSQ-UHFFFAOYSA-N 307.168 4.284 0 40 DIAB biogenic Cc1cccc2c1Oc1nc(-c3ccccc3)nc(S)c1C2 2705655 QHWZUPDURLZFQU-UHFFFAOYSA-N 306.390 4.437 0 40 DIAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 4275348 OXDHCWJRDNWCHL-UHFFFAOYSA-N 324.405 4.368 0 40 DIAB CSc1cccc2sc(NC(=O)c3ccccc3F)nc12 5299259 SPFCEFMYUPRINW-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB COc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N 5611745 YPCSMMUBWGPKGA-UHFFFAOYSA-N 309.152 4.392 0 40 DIAB O=C(CCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 5671768 QSSAKGHNCBYRDQ-UHFFFAOYSA-N 309.287 4.157 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCC2CCCCC2)cc1 5987246 DRPYVUHOPRMPCW-HNNXBMFYSA-N 317.429 4.226 0 40 DIAB CCOc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6892400 GZGPTTWIZTVHKE-XAZWDOJMSA-N 316.441 4.008 0 40 DIAB Brc1ccccc1Oc1ncnc2sccc12 8064060 MBZIDZYJGYCDAR-UHFFFAOYSA-N 307.172 4.246 0 40 DIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(CC)c2)cc1 12727934 RXOMRXGFKTWTBX-AWEZNQCLSA-N 313.397 4.054 0 40 DIAB Cc1cc(OCC(=O)N[C@@H]2CCc3ccccc32)ccc1C(C)C 12939872 PGXBLPYJMJLVBM-HXUWFJFHSA-N 323.436 4.301 0 40 DIAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 13012409 FWKRKGQTHAMFSY-UHFFFAOYSA-N 320.392 4.308 0 40 DIAB COc1cccc(NC(=S)Nc2ccc(C)c(Cl)c2)c1 13789824 YGUPHZSHQCKJKX-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB Cc1cc(CN2CCc3sccc3[C@@H]2c2ccccc2)no1 15034014 WNCNNGDUXHSERD-SFHVURJKSA-N 310.422 4.192 0 40 DIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/C=C\c1ccccc1 17023324 YTMWYNIERHPCLE-YXAWYSDKSA-N 309.752 4.241 0 40 DIAB Cc1ccc(NC(=O)N(C)C)c(SC(=O)c2ccccc2)c1 18194545 XVMDGXQQYCFPAU-UHFFFAOYSA-N 314.410 4.021 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(Br)cc2F)o1 20160043 DYMBFCCAFAUXBR-UHFFFAOYSA-N 313.122 4.025 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)c1cnc2onc(C(C)C)c2c1 21305083 ZAAFDXQCIIEKGO-ZDUSSCGKSA-N 323.396 4.146 0 40 DIAB COc1ccc(N(C(=O)c2ccccc2)C2=NCCCCC2)cc1 27526537 PIUWUOFIMKDBFG-UHFFFAOYSA-N 322.408 4.315 0 40 DIAB c1ccc(COc2ccc(OCC[C@H]3CCCNC3)cc2)cc1 42773032 DGRXHNGMKCDUML-QGZVFWFLSA-N 311.425 4.034 0 40 DIAB c1ccc(-c2nc(C[n+]3ccc4c(c3)CCCC4)cs2)cc1 72554153 FROBPRGGCNNWGU-UHFFFAOYSA-N 307.442 4.025 0 40 DIAB O=C(c1ccc(F)c(F)c1)N1CCC(c2ccsc2)CC1 75157110 CNJPKAQMKVQLFP-UHFFFAOYSA-N 307.365 4.046 0 40 DIAB C[C@H](Sc1nnc(N)s1)[C@@H](C)c1nc2ccccc2s1 79020077 LREUHJGXGSXFBH-SFYZADRCSA-N 322.484 4.014 0 40 DIAB C/C(=C\C(=O)Nc1c(C)nn(C(C)C)c1C)c1ccc(F)cc1 96313747 JCYFPYLETBJRFQ-ZRDIBKRKSA-N 315.392 4.262 0 40 DIAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](c1ccco1)C(C)(C)C 96486908 IWYFWBBDSWRKQK-PIGZYNQJSA-N 317.433 4.017 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102838463 XKSFFQZQYJKWPV-ATZCPNFKSA-N 306.818 4.324 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 113959977 RUBCKWOJMOKQJD-APWZRJJASA-N 323.436 4.265 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 113960861 GCHQBKGKIQENPB-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C=CCC[C@]34C)[C@@H]1CC[C@@]2(C)O 118931150 AYKGDFHRLXZLQY-MQOFPFBISA-N 304.474 4.061 0 40 DIAB O=Cc1cn(C(=O)OCc2ccccc2)c2ccc(Cl)cc12 196885954 KNKICEXBJHPZQF-UHFFFAOYSA-N 313.740 4.292 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)N2CCCc3ccccc32)cc1 222890181 HZYFUIJKHGHWID-FQEVSTJZSA-N 323.436 4.386 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCC1=CCCCC1 224450516 WDLQJSKZOOOCJQ-SFHVURJKSA-N 301.430 4.077 0 40 DIAB Cc1ccccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225016611 BYNZCWHGXRSGMY-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(F)c(F)c1 225514314 SKQBVNCOFLEEMB-GFCCVEGCSA-N 320.408 4.273 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(F)(F)F 53009 YJRNLSYFJPRKEE-UHFFFAOYSA-N 322.311 4.464 0 40 DIAB Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CC[C@@H](C)C3 341198 CENWFDYMJUVINS-SNVBAGLBSA-N 311.406 4.350 0 40 DIAB CCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 344545 GMJMMEIADUNIAV-UHFFFAOYSA-N 307.353 4.142 0 40 DIAB COc1ccc(CCCC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 366313 QTGGISXMHSCJFL-KSSFIOAISA-N 303.446 4.021 0 40 DIAB COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 366315 QTGGISXMHSCJFL-KBXCAEBGSA-N 303.446 4.021 0 40 DIAB CC(C)(C)c1ccc2c(c1)CN(c1ccc(C(=O)O)cc1)CO2 540473 BZGLGFLKKQLRJT-UHFFFAOYSA-N 311.381 4.039 0 40 DIAB C[C@@H](CN(C)C)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698635 GYKTWUOGJHJSJV-KBXCAEBGSA-N 309.881 4.306 0 40 DIAB COP(=O)(OC)Oc1cc(Cl)c(Cl)cc1Cl 1719971 XWMMHXRGYYPFAV-UHFFFAOYSA-N 305.481 4.427 0 40 DIAB Cc1ccc2nc(-c3nnc(-c4ccc(F)cc4)o3)ccc2c1 2786480 JDHJBJVKKXIJKM-UHFFFAOYSA-N 305.312 4.399 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)c1 3100369 QQBPKSUFKZZULQ-UHFFFAOYSA-N 323.845 4.374 0 40 DIAB CC(C)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 3516010 UQIVVOXVMLMPKZ-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3548198 QVCXXKNMUVUTQX-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB CCc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 4271861 NXEWJJHTXVQUNZ-UHFFFAOYSA-N 307.422 4.393 0 40 DIAB COc1ccc(Nc2nnc(-c3ccncc3)s2)cc1Cl 4751261 TVVGFMVPLMLLTK-UHFFFAOYSA-N 318.789 4.006 0 40 DIAB C/C=C\C(=O)N1c2ccccc2C[C@@H]1c1c[nH]c2ccccc12 5029850 COBVHQPLRWXCAW-RQEHUIBCSA-N 302.377 4.374 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Cl 5560318 BLEBZGBAQITEMF-LLVKDONJSA-N 307.752 4.194 0 40 DIAB CCOc1ccc(OCCn2c(=S)[nH]c3ccccc32)cc1 5686501 DEJLZDONLHIBRB-UHFFFAOYSA-N 314.410 4.177 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)CCC3)cc1 6649324 JBXDZIFTOGDXLU-UHFFFAOYSA-N 309.409 4.281 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccccc1 6940622 XOKFRFXYBFJWIF-MRXNPFEDSA-N 300.427 4.133 0 40 DIAB Cc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1 7735857 GAQHUECRIBHJFA-UHFFFAOYSA-N 302.381 4.111 0 40 DIAB Cc1nc(NC(c2ccccc2)c2ccccc2)sc1C(=O)O 8024788 CUJKNSYPHMXDFO-UHFFFAOYSA-N 324.405 4.351 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccccc1 8131639 VAJNHUFVCIIFBD-AWEZNQCLSA-N 324.449 4.449 0 40 DIAB CCc1ccc(-c2nc(COC(=O)c3ccccn3)cs2)cc1 8447269 OWXFCSZBPRSUAF-UHFFFAOYSA-N 324.405 4.125 0 40 DIAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(C)nc32)cc1 12810224 GWGIRQCGDCIEKP-UHFFFAOYSA-N 305.303 4.365 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 15923179 JDPQQKSEFHYROE-UHFFFAOYSA-N 323.801 4.221 0 40 DIAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 17064552 HBQUKLAYZQRHRY-UHFFFAOYSA-N 307.315 4.252 0 40 DIAB Cc1cccc(-n2ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)c1 20632830 YIIXULFZKKUJAQ-OAHLLOKOSA-N 320.367 4.233 0 40 DIAB CCCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC 21580446 XWJAPVPKQSIUTR-UHFFFAOYSA-N 323.396 4.367 0 40 DIAB CC1(C)Cc2cccc(Oc3nccc(C(F)(F)F)n3)c2O1 24052955 HJPZVHPEZDRNPW-UHFFFAOYSA-N 310.275 4.001 0 40 DIAB C[C@@H](C1CC1)N(Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 32814810 GTFWJJBJMZEYQK-LBPRGKRZSA-N 300.377 4.244 0 40 DIAB C[C@H](NC(=O)N[C@H](C)c1cccnc1)c1ccc2c(c1)CCCC2 48067689 UGYRGIGVCXTIOS-LSDHHAIUSA-N 323.440 4.082 0 40 DIAB CSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 53388106 FAMFDYOOLPJYPS-CYBMUJFWSA-N 311.450 4.388 0 40 DIAB Cc1n[nH]c(C)c1NC(=O)c1ccc(-c2ccccc2F)s1 63838057 QLNVXWXSQZJXBU-UHFFFAOYSA-N 315.373 4.146 0 40 DIAB Cc1nc(COc2ccc(OCc3cccnc3)cc2)cs1 68322010 KFGIIBLKACXYLV-UHFFFAOYSA-N 312.394 4.005 0 40 DIAB CC[C@H](Nc1ccc(CNC(C)=O)cc1)c1ccc(F)cc1 71915837 UCLLFXXGXDSPPM-SFHVURJKSA-N 300.377 4.025 0 40 DIAB C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1cnccn1 90114988 GBUDDTNOMROPIY-PZNPJNSTSA-N 301.821 4.178 0 40 DIAB C[C@H](Nc1ncc(Cl)cn1)c1ccccc1Br 95963387 DVHCADFATQAYKA-QMMMGPOBSA-N 312.598 4.066 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100758231 LJAADAIWAMUVQM-MAWCEFAISA-N 310.224 4.311 0 40 DIAB Cc1ccc2c(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)coc2c1 102289198 QXCLSOIVMZEQIT-LLDVTBCESA-N 311.425 4.225 0 40 DIAB C[C@@H]1[C@@H](NC(=O)/C=C/c2c(F)cccc2Cl)CCC[C@H]1C 107615342 CRIVOBJCBMEMDD-KXWPVXJSSA-N 309.812 4.433 0 40 DIAB CCNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 212690368 BYCAHARBCJHPLM-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(Cl)c1Cl 222570830 HDUWUMQAIJEJHJ-UHFFFAOYSA-N 324.211 4.468 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222994591 RYQLUQKSZRVEGX-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223189564 UBOAVMCSNGFINV-INIZCTEOSA-N 307.437 4.294 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1 224292910 DJUJEMBIZJBNPM-HZPDHXFCSA-N 323.436 4.210 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCC1=CCCCC1 224450462 WDLQJSKZOOOCJQ-GOSISDBHSA-N 301.430 4.077 0 40 DIAB CC(C)(C)C(=O)NCCSCc1ccc(Cl)cc1Cl 225886709 WBBSJFFIFOJGGY-UHFFFAOYSA-N 320.285 4.389 0 40 DIAB CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(O)c(Cl)c2)c1C 390833941 PFUGIAIKEDXIBY-SECBINFHSA-N 322.796 4.166 0 40 DIAB Cc1ccc2nc(SC(=O)Cc3ccc(Cl)cc3)[nH]c2c1 408620914 KOMSIWRQRYHGHJ-UHFFFAOYSA-N 316.813 4.386 0 40 DIAB CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1Cl 193084 CDHZUFZVAFBDBU-JOYOIKCWSA-N 315.196 4.213 0 40 DIAB CC(C)(C)C(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 306659 WVXDWSZGLKTLLF-UHFFFAOYSA-N 317.458 4.487 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C 365114 ORIAAPXVSOMAAK-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CCc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12 4348629 SDIZRVCQQITSJJ-UHFFFAOYSA-N 318.348 4.389 0 40 DIAB O=C(Nc1cc(Cl)ccc1F)c1ccc2ccccc2n1 6932793 KBARVADQTYJDIL-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB C[C@@H](OC(=O)c1cnc2ccccc2n1)c1ccccc1Cl 8388650 QWYNBOFFNFTPME-LLVKDONJSA-N 312.756 4.201 0 40 DIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@H](CO)C3 8618856 HHAMKMUMKLXDFQ-DCGFJQNMSA-N 320.473 4.092 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=S)Nc1ccnn1C1CCCCC1 9602459 QFTWZGDATQRJGR-DZGCQCFKSA-N 320.506 4.253 0 40 DIAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 14388840 ZCLGINBAROEBFU-ZDUSSCGKSA-N 320.392 4.449 0 40 DIAB O=C(c1cccc2ccccc12)N1CCC[C@H](C(F)(F)F)C1 16047129 GKIKDDLWVZLADF-ZDUSSCGKSA-N 307.315 4.254 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(Cl)c1 18174223 DNHVTUQZUOESIX-LLVKDONJSA-N 304.777 4.231 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 29345047 QGKQXZFZOIQFBI-YBXIWKLVSA-N 306.490 4.141 0 40 DIAB in-vitro C[C@H]1Cc2ccccc2N1C(=O)CCc1cc2ccccc2o1 32823588 ICVKRYANELXDJU-AWEZNQCLSA-N 305.377 4.343 0 40 DIAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2nc1C 56034248 XDCNUHFVTOQXAU-LJQANCHMSA-N 323.440 4.041 0 40 DIAB COc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c1 71977874 ONWGARIDXCMZRM-UHFFFAOYSA-N 311.772 4.055 0 40 DIAB O=C(c1ccc(Oc2nccs2)cc1)N1CCc2ccccc21 77890170 VJYFYIIELZPFDU-UHFFFAOYSA-N 322.389 4.138 0 40 DIAB CSc1nc(Cl)cc(-c2ccc(Br)cc2)n1 78401148 BKKKMJPCMLWFPI-UHFFFAOYSA-N 315.623 4.281 0 40 DIAB O=C(c1ccc(Br)cc1)c1ccnc2ccccc12 83252467 KRCKYQUPDTVBQE-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB Cc1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1 101947575 HGMFBLPKHROMTQ-NEWSRXKRSA-N 319.404 4.068 0 40 DIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 102999272 HYTKPAJFUFMASA-ATNYBXOESA-N 310.441 4.041 0 40 DIAB O=C(NCCCc1ccccc1Cl)c1cc2ccccc2o1 219945327 RPUUQMNTWIZTER-UHFFFAOYSA-N 313.784 4.449 0 40 DIAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 225782061 IHNZXTAPJFKGLV-AWEZNQCLSA-N 314.454 4.003 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354908 YNZGROFGQUJJOO-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccccc1 121034 SDCADSMGEKFBCT-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB CCCn1c(-c2ccccc2C)nc2nc3ccccc3nc21 533639 QGWRRXMCKWQRLY-UHFFFAOYSA-N 302.381 4.365 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(C)c1 557933 JTQUSHQQANQRIW-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2C)cc1 557959 YWKMQRXFVWEPOP-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB COc1ccccc1OCCCC(=O)Oc1ccc(C)c(C)c1 1903373 DBJWUWRSMFLLOB-UHFFFAOYSA-N 314.381 4.077 0 40 DIAB O=C(Nc1nccs1)c1ccc2noc(-c3ccccc3)c2c1 5034777 DABKXJPGHDECGZ-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(F)c(F)c1F 6376344 WRBMGCMMSICZNM-UHFFFAOYSA-N 317.669 4.078 0 40 DIAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1C 7116460 HSCIEUZJGDKYHK-CYBMUJFWSA-N 309.365 4.241 0 40 DIAB CC(C)c1ccc([C@H](C)NCC(=O)N2CCc3ccccc32)cc1 8314498 YBSKUYQIWSCGTN-INIZCTEOSA-N 322.452 4.050 0 40 DIAB COc1cc(OC)c(NC(=O)/C=C/c2ccsc2)cc1Cl 9482533 CEZKQHGWVALWNE-ONEGZZNKSA-N 323.801 4.071 0 40 DIAB COc1cc(SC)ccc1C(=O)N1c2ccccc2C[C@H]1C 9698646 RMARJLLVPBFLMX-GFCCVEGCSA-N 313.422 4.009 0 40 DIAB O=C(Nc1nc(-c2cccs2)ns1)c1ccc(Cl)cc1 11914487 NXZKKWXJJPSHAS-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1C 14292003 SFKLRPMRMLYSIU-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1 22415384 QCWIJFKUTCUCKG-UHFFFAOYSA-N 302.377 4.237 0 40 DIAB CCCCN(C)C(=O)c1csc(Nc2ccc(C)c(C)c2)n1 23157116 PDSAEGINGYSWTK-UHFFFAOYSA-N 317.458 4.376 0 40 DIAB Cc1cc(C)c(C(=O)CSc2ncc3ccccn23)cc1C 24715527 XGWURAYHAPDIOM-UHFFFAOYSA-N 310.422 4.235 0 40 DIAB CCCC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 32900333 ALGCWCQAUOHZTR-HNNXBMFYSA-N 324.424 4.258 0 40 DIAB Cc1nc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)s2)cs1 33193068 KCUWYBUUOCLHOD-GWSCVKMXSA-N 312.847 4.057 0 40 DIAB CO[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 57346845 JBVVVYUKSWADHM-INIZCTEOSA-N 324.405 4.136 0 40 DIAB Cc1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 58358168 KUCIVKYTPNSBAJ-UHFFFAOYSA-N 306.390 4.275 0 40 DIAB CCc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 58442158 RGLLSEJHZOTHDY-UHFFFAOYSA-N 319.433 4.471 0 40 DIAB CC(=O)C(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 68572173 VISCHJKVROBHSE-UHFFFAOYSA-N 305.786 4.461 0 40 DIAB CC[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)c1c(C)noc1C 69457481 PEAMTNBKTKKZJW-CYBMUJFWSA-N 324.327 4.025 0 40 DIAB O=C(O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 70136605 RARMHUYPDSQLTQ-UHFFFAOYSA-N 315.127 4.410 0 40 DIAB O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840044 BDKLYYOCPWJKBF-OAHLLOKOSA-N 308.425 4.230 0 40 DIAB FC(F)(F)c1ccnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 74158121 RETXJQZFRSZBLX-YUMQZZPRSA-N 313.245 4.028 0 40 DIAB Cc1ncccc1CNc1cc([C@H]2C[C@H]2C)nn1-c1ccccc1 95455330 MBTXWDXJFMIDEK-KDOFPFPSSA-N 318.424 4.311 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1 96462301 ZUKXMUYYTDEBMW-UHFFFAOYSA-N 323.314 4.442 0 40 DIAB N=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCC3 101410982 KUAKKXNUEQAHOX-UHFFFAOYSA-N 313.451 4.108 0 40 DIAB CC(C)Oc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 113972669 JNBZILHSBOGREQ-UHFFFAOYSA-N 318.804 4.449 0 40 DIAB O=C(/C=C/c1ccco1)NCc1ccccc1-c1ccsc1 206825021 GQIHYTVFOBXUDN-BQYQJAHWSA-N 309.390 4.338 0 40 DIAB Cc1csc(C(=O)N2CCS[C@H](c3cccs3)CC2)c1 219504115 FLZAWLHSDGSQQA-ZDUSSCGKSA-N 323.508 4.438 0 40 DIAB CCCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OC 224412725 XKBDXNFXWGOQEN-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1C 225693962 RCSSQIAZOKRMDE-SFHVURJKSA-N 307.434 4.318 0 40 DIAB NC(=O)c1cc(C(F)(F)F)ccc1Sc1cccc(F)c1 542632189 PBEVDLDRXQUULG-UHFFFAOYSA-N 315.291 4.095 0 40 DIAB Cc1nccn1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 570226902 WYJHUCSFKJMMRG-HOCLYGCPSA-N 324.346 4.378 0 40 DIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccccc1F 575620038 HVRQWNDMIJKVKD-LBPRGKRZSA-N 313.397 4.401 0 40 DIAB CCOC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)nc1C 268270 CKSVEVGOCMROCA-UHFFFAOYSA-N 309.287 4.253 0 40 DIAB CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 484282 ADTRHLSWUZXDRI-SNVBAGLBSA-N 323.458 4.034 0 40 DIAB CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccccc1)N2 1795488 GFWVAGCRUPZPOC-UHFFFAOYSA-N 317.502 4.208 0 40 DIAB C[C@H](Sc1nc2ccccc2o1)C(=O)NCC1CCCCC1 5034106 DKUYHGKYTKYCQJ-LBPRGKRZSA-N 318.442 4.005 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]2CCCC[C@@H]21 8345359 HLBRRMINASZWTQ-FCBZUWDESA-N 310.397 4.022 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C)c1 8477745 UTWIWZNQXIVDPP-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)c1ccccn1 8614997 QSBQCUJEGRWPFE-UHFFFAOYSA-N 321.355 4.459 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)cc2c1C 9548508 NCMJKHWOUKMNNC-RDJZCZTQSA-N 310.441 4.437 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccccc1 9895537 MCYKJBWDGLFEET-FQEVSTJZSA-N 318.420 4.464 0 40 DIAB C[C@H](c1ccccc1)N(C)Cc1c(Cl)nc2sccn12 12799977 NYTLUAOCZCLWAI-LLVKDONJSA-N 305.834 4.242 0 40 DIAB Cc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1 13668447 MGFAPUYTCANAGC-OUKQBFOZSA-N 313.828 4.411 0 40 DIAB Cc1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 13670597 ABRGXCZVWMKIOE-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 13994524 VAAFLBXWOSYHDH-QGZVFWFLSA-N 313.397 4.190 0 40 DIAB Cc1ccccc1-c1nn(CN(C)C2CCCC2)c(=S)o1 14238778 CNHUJYVTCYJFJI-UHFFFAOYSA-N 303.431 4.013 0 40 DIAB O=C(Nc1cccc2ccccc12)c1cc(=O)c2ccccc2o1 14429006 MHVLETDDGLWIJT-UHFFFAOYSA-N 315.328 4.199 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2cccc(F)c2F)on1 19120303 IAPXEWNQOPXQJD-HNNXBMFYSA-N 306.356 4.379 0 40 DIAB CCC(=O)N(Cc1ccco1)[C@H](c1ccc(OC)cc1)C(C)C 32074071 ZFLFBABYFGVVPQ-IBGZPJMESA-N 315.413 4.424 0 40 DIAB Cc1cccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1 45949311 PEQOMEMKSYDXRD-LBPRGKRZSA-N 320.339 4.479 0 40 DIAB O=C(NCCCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 57416219 IXNQSSOCAPFKBV-UHFFFAOYSA-N 312.800 4.184 0 40 DIAB Cc1nc(-c2ccccc2)sc1CNCc1cccc(O)c1 67011856 KDCBCUKDGKPCNP-UHFFFAOYSA-N 310.422 4.114 0 40 DIAB CCN(C(=O)C1CC1)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 69779763 VDNNDKXBMVFOBQ-IBGZPJMESA-N 308.425 4.046 0 40 DIAB Clc1ccccc1CSc1nc(Cc2ccccc2)n[nH]1 71233744 KXDUZZKPMKQSHY-UHFFFAOYSA-N 315.829 4.341 0 40 DIAB O=C(c1ccccc1Br)c1ccnc2ccccc12 83252325 UTJTYFHTZWHAAH-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225079913 DWPPGGLSFCFHKX-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCC[C@@H](C)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258822 DNAVLEMXHMFDKZ-CYBMUJFWSA-N 307.397 4.148 0 40 DIAB CCOc1cccc(NC(=S)NCc2ccccc2Cl)c1 225371894 LOOLLPJXMWXHPQ-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CO[C@H](CNC(=O)Nc1ccccc1C)c1ccc(Cl)s1 225709002 PPPAFYKDRCTSAD-GFCCVEGCSA-N 324.833 4.219 0 40 DIAB Cc1ccnc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225762563 HRFCPJUWUVRLOK-KRWDZBQOSA-N 313.470 4.382 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 128618 HWHFPZVSIQLGPL-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB Cc1ccc(O)c([C@@H](CC(=O)N2CCCCC2)c2ccccc2)c1 523748 UTEJXRRDXFTVNU-SFHVURJKSA-N 323.436 4.235 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@H]1CCCC[C@@H]1Cc1ccco1 550936 KXEYICQCKZUATP-NYQNCTAXSA-N 309.409 4.211 0 40 DIAB C[C@H]1CCC[C@@H](NC(=O)/C=C/c2c(F)cccc2Cl)[C@@H]1C 4652580 CRIVOBJCBMEMDD-LJVCWSNESA-N 309.812 4.433 0 40 DIAB O=C(OCc1ccc(Cl)cc1Cl)c1cccnc1Cl 5506020 JJMZFCWLIKUBGV-UHFFFAOYSA-N 316.571 4.399 0 40 DIAB CC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2C)cc1 7380257 YMGYFNADRAEPGN-UHFFFAOYSA-N 324.405 4.420 0 40 DIAB O=C(Cc1cccc2ccccc12)NCc1cccc(Cl)c1 7969072 ZRBUXHRMGHLZLG-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB CC1=C(C)[C@H](Nc2ccc(C)cc2F)N(CCC(C)C)C1=O 9553662 PQJYDTJLZPCFMF-QGZVFWFLSA-N 304.409 4.097 0 40 DIAB CCc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 12493371 YFHRZYQQTXXBAH-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB COCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 12858925 PUMGDTBOMWWNRQ-UHFFFAOYSA-N 320.776 4.009 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1c(Cl)cccc1Cl 12882472 GYADSINUXPMJIR-ZDUSSCGKSA-N 322.191 4.247 0 40 DIAB COc1ccc(NC(=S)Nc2ccccc2F)cc1Cl 13935122 MQIXLBOILGQWAL-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Cc1c(N)cccc1NC(=O)c1ccc(OCCC(C)C)cc1 19736324 RQEURFBYELTIAL-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB Cc1nc(-c2cccc(NC(=O)c3ccccc3O)c2)cs1 22747006 ONBSCWFIGYTHRM-UHFFFAOYSA-N 310.378 4.076 0 40 DIAB CC(C)CC[C@H](CC(=O)N1CCCC1)[C@H]1CCOC(C)(C)C1 26961504 MSFCXDXGXWFVDF-SJORKVTESA-N 309.494 4.257 0 40 DIAB COC(=O)[C@@H]1CCCCN1Cc1sc2ccccc2c1Cl 27562794 YJXKUGFFRBKDRT-LBPRGKRZSA-N 323.845 4.082 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc12 27976577 QQEQSMMGBKMYQO-ZDUSSCGKSA-N 318.420 4.387 0 40 DIAB O=C(Nc1ccc2ccccc2n1)c1cc(-c2cccs2)on1 32879597 NOIKQROESXMUGC-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CN(Cc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 40104959 VJTGMOPORCQNEC-UHFFFAOYSA-N 321.380 4.369 0 40 DIAB Brc1cccc(-c2csc(-c3cnccn3)n2)c1 40156692 JVTNAJJHWUYNGT-UHFFFAOYSA-N 318.199 4.030 0 40 DIAB c1ccc2oc(NCc3ccnc(OC4CCCC4)c3)nc2c1 42107984 LLBRKEKNQMBCLC-UHFFFAOYSA-N 309.369 4.156 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 46541571 VHNFGEUFQSBWFU-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB CC(C)(C)[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccccc1 69592190 WUCOOQBYSPZMPC-LJQANCHMSA-N 320.436 4.405 0 40 DIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1CC(C)C 72218882 LCDKXHMOMIZHNS-SFHVURJKSA-N 301.478 4.173 0 40 DIAB COc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1N 73634769 WJZAIQKQYBTHMN-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB COc1cccc(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 75107500 HGZVRDMESLISHZ-OXQOHEQNSA-N 323.436 4.032 0 40 DIAB Cc1nc(C2=C(O)CN(c3cccc(Cl)c3)C2=N)sc1C 102726463 VORQTXTUYOQHBN-UHFFFAOYSA-N 319.817 4.180 0 40 DIAB CCCCN(CCCC)C(=O)c1ccc2c(c1)nc(Cl)n2C 222545103 NLUAPZCXIGNQPK-UHFFFAOYSA-N 321.852 4.269 0 40 DIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)cc1 225649496 FNBKCIUSEGHQAG-GOSISDBHSA-N 305.418 4.152 0 40 DIAB O=C(O)c1ccc(CCc2ccccc2)n1Cc1ccccc1 226028883 RZYYKOXDALHBCK-UHFFFAOYSA-N 305.377 4.020 0 40 DIAB O=C(c1ccccc1)N1[C@@H]2CCCC[C@@H]2S[C@H]2CCCC[C@H]21 229771924 OVVFTWHENPMSBS-BDXSIMOUSA-N 315.482 4.498 0 40 DIAB COc1ccccc1CNC(=S)c1cccc2ccccc12 408573029 LELUWTOSKYSHSF-UHFFFAOYSA-N 307.418 4.314 0 40 DIAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2cccs2)o1 575608341 JXLPZTOMGQHAPD-DHZHZOJOSA-N 309.390 4.338 0 40 DIAB c1ccc(Cc2nnc(N3CCCCC3)c3ccccc23)cc1 236047 NELQVCLPPTUHMK-UHFFFAOYSA-N 303.409 4.211 0 40 DIAB CCC(=O)[C@@](CCN(C)C)(c1cccs1)C1CCCCC1 1593244 MTUJSLYLOCBLKQ-SFHVURJKSA-N 307.503 4.497 0 40 DIAB Cc1cc(NC(=O)c2sccc2C)ccc1Br 3331890 WNBRIEFIQZAAHW-UHFFFAOYSA-N 310.216 4.380 0 40 DIAB Cc1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 3389296 SSDVQWMLJGAKHJ-UHFFFAOYSA-N 321.471 4.009 0 40 DIAB Cc1cccc(C(=O)N2CCN=C2SCc2ccccc2C)c1 4120002 ZJZBWFLKIYTIJU-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB c1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1 4511503 QJEUKFWATUYFJW-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB Sc1nnc(-c2sccc2-n2cccc2)n1-c1ccccc1 5757250 GDJVOHAZHLWKJX-UHFFFAOYSA-N 324.434 4.075 0 40 DIAB COc1cccc2c1Oc1nc(-c3ccccc3)nc(S)c1C2 6009497 JUVXJZHXGFHBGY-UHFFFAOYSA-N 322.389 4.137 0 40 DIAB CCC[C@@H](O)CN(C)Cc1cc2c(c3ccccc13)CCCC2 6381273 UOHIGTSTTORWPE-GOSISDBHSA-N 311.469 4.311 0 40 DIAB Cc1ccc(CSCC(=O)Nc2c(F)cccc2F)cc1 6476540 ZPYUMHMOXAUXJM-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB O=C(CCCOc1ccccc1)Nc1ccccc1N1CCCC1 6820438 VBNOISOCPFVAEQ-UHFFFAOYSA-N 324.424 4.085 0 40 DIAB CCOC(=O)c1c(C)oc2c1c(Cl)c(O)c1ccccc12 8228749 BKIIIMMBANKQSH-UHFFFAOYSA-N 304.729 4.430 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1C 8238875 PYQSNILPMPSOCR-OAHLLOKOSA-N 323.392 4.306 0 40 DIAB c1ccc(Oc2ccccc2CSc2nnnn2C2CC2)cc1 8327267 QUSIBEOGRBEBOZ-UHFFFAOYSA-N 324.409 4.093 0 40 DIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 8428222 AVSIQTLVAZSVQB-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 8496808 BTFUUNAGPYQCTH-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)[C@H](C)CC)C(=O)O 8732877 DVZFLLLAPXEAKB-BXUZGUMPSA-N 309.431 4.017 0 40 DIAB O=C(NOCc1ccccc1)c1ccccc1Nc1ccccc1 10318826 VFMSPHMFPMZQQI-UHFFFAOYSA-N 318.376 4.292 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N2CCCc3ccccc32)cc1 10449479 DIIKOCRLBZEBOO-OAHLLOKOSA-N 311.450 4.455 0 40 DIAB CCC(CC)NC(=O)c1cc(-c2ccco2)nc2ccccc12 12756001 CPTDCYUITGSNJX-UHFFFAOYSA-N 308.381 4.413 0 40 DIAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 14085739 BRAPMZVPCSMNQQ-SOFGYWHQSA-N 320.801 4.012 0 40 DIAB Cc1cccc(CSCC(=O)Nc2ccc(F)cc2F)c1 15003808 IAVOJQKAEMCUTG-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 15092292 KLJXMLPZUYKNIX-AWEZNQCLSA-N 311.400 4.124 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)cc1 16343354 PGFIREFXQOSLNA-GFCCVEGCSA-N 322.861 4.169 0 40 DIAB Fc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1 19293932 VWONYFDQGVRCSY-OAHLLOKOSA-N 318.442 4.417 0 40 DIAB CN1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 19366065 ATBWRPNTOXXOBL-MOPGFXCFSA-N 314.860 4.113 0 40 DIAB CCNCc1ccc(-c2ccc(Cl)cc2Br)o1 20158481 HWJQDEYFBHVEIL-UHFFFAOYSA-N 314.610 4.472 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C)c2C)cc1 20481433 GMXAGWXNQOOHEN-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCC[C@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245467 IRTRJMQFQYBIDT-LBPRGKRZSA-N 317.458 4.138 0 40 DIAB CN(Cc1ccsc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26294885 XRHXWACOGJAHNP-NWDGAFQWSA-N 320.380 4.011 0 40 DIAB Cc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)nc1 32795581 XIKDJFIWURDAML-UHFFFAOYSA-N 305.381 4.002 0 40 DIAB C[C@H](Nc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1 48892929 JVJVSSIEYHWXTA-QMMMGPOBSA-N 301.699 4.322 0 40 DIAB Cc1ccc(C(=O)OCc2nc(Cl)ccc2Cl)s1 58232455 PGYDRFKQDAWTRA-UHFFFAOYSA-N 302.182 4.115 0 40 DIAB CCc1c(C(=O)Nc2ccc3ncccc3c2)cnn1C(C)(C)C 58378138 BVOUBWHVCPWGGP-UHFFFAOYSA-N 322.412 4.001 0 40 DIAB Cc1ccc(NCn2c(=O)oc3ccc(Cl)cc32)cc1Cl 59474382 OKSICXQILPATAN-UHFFFAOYSA-N 323.179 4.279 0 40 DIAB CC(C)(C)c1nc2ccc(NC(=O)c3ccccc3F)cc2[nH]1 71280720 ARQSCNQLWVSLKN-UHFFFAOYSA-N 311.360 4.252 0 40 DIAB CCCCN1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219166 ZIQHDBYDGUAYJJ-SFHVURJKSA-N 301.478 4.317 0 40 DIAB Cc1nc([C@@H](C)NC(=O)N(Cc2ccccc2)C(C)C)cs1 72271611 CCYRRWUUQJPRJV-CYBMUJFWSA-N 317.458 4.133 0 40 DIAB Cc1ccc2c(ccn2CC(=O)Nc2ccc3cc[nH]c3c2)c1 72325447 QZLRLCSGORELEF-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB biogenic COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 72331425 DSGLWCJYDYVSBK-JTQLQIEISA-N 324.207 4.493 0 40 DIAB C[C@@H](C1CC1)N(C(=O)N[C@H](C)c1csc(C2CC2)n1)C1CC1 74206127 RPYUSFADXAZAQE-MNOVXSKESA-N 319.474 4.054 0 40 DIAB CCCN(C(=O)c1ccoc1)[C@H]1C[C@@H](OCC)C12CCCCC2 78874872 YCJKRRATOMSJDY-DLBZAZTESA-N 319.445 4.260 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 118925994 VIQFMADXQMGZER-KPXIBXGJSA-N 319.533 4.353 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)C1CCCC1 216393852 BMOMQHSZDJXCKB-GOSISDBHSA-N 311.425 4.398 0 40 DIAB Cc1cc(Br)ccc1-c1ccc(CCC(=O)O)o1 216923251 TWWBYBWFDGKZLA-UHFFFAOYSA-N 309.159 4.035 0 40 DIAB CCc1ccc(CC(=O)NCCCc2ccc(Cl)cc2)cc1 224284357 NCMLRMNHUWRHPM-UHFFFAOYSA-N 315.844 4.194 0 40 DIAB CCCNC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224320817 QBODVGBYVKPXPG-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB Cc1ccccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225015244 WFIIJQRCZSLMQG-SFHVURJKSA-N 312.409 4.367 0 40 DIAB C[C@H](Oc1cccc(N)c1)C(=O)Sc1ccc(Cl)cc1 225402584 IKRDHMBMMAZCMU-JTQLQIEISA-N 307.802 4.008 0 40 DIAB COc1ccc(NC(=S)NCc2cccc(C)c2)cc1Cl 225426539 ZEIYSLPSLVKFRE-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB COc1cc(OC)c2c(Cl)csc2c1Br 228953087 LKYAYFQGVDHLOA-UHFFFAOYSA-N 307.596 4.334 0 40 DIAB CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1 1775971573 VQDOYKGPSYJWAO-OALUTQOASA-N 310.441 4.000 0 40 DIAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NC1CCCCCC1 36353 JHEXNANCEAYZDG-YPMHNXCESA-N 304.261 4.417 0 40 DIAB O=C(COC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 336678 YPYRGOOKOJLMKN-UHFFFAOYSA-N 314.724 4.126 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1 514157 ZRELWDVNJUNOMU-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB CCCCCSc1cc(OC)c(CCN(C)C)cc1OC 2187341 FGNRFRYZVFTXMK-UHFFFAOYSA-N 311.491 4.090 0 40 DIAB C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(Cl)cc1 3237477 CWUJOEULFWYDMK-STQMWFEESA-N 311.878 4.363 0 40 DIAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C2CCCCC2)c(C)c1 3416679 GREWUNYARBFCOQ-HNNXBMFYSA-N 317.429 4.062 0 40 DIAB CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 5050218 RYCXUPSEFQFUMO-UHFFFAOYSA-N 313.422 4.180 0 40 DIAB C[C@@H]1CCc2c(C(=O)NCCC3=CCCCC3)csc2C1 5070231 RJZLLDWOSDZJIK-CYBMUJFWSA-N 303.471 4.493 0 40 DIAB COc1ccc(C)cc1NC(=O)c1cccc(-n2cccc2)c1 5108922 ARSLVPRCYXQDRJ-UHFFFAOYSA-N 306.365 4.047 0 40 DIAB Cn1cc(NC(=O)NCc2ccccc2Cl)c2ccccc21 5265699 NCWFYSSCPFVNLH-UHFFFAOYSA-N 313.788 4.153 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 5559363 DCHOFGBEVWXZGL-LBPRGKRZSA-N 318.214 4.249 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2s1 5578336 UNRQYLHXHJEGEC-YNEHKIRRSA-N 300.427 4.370 0 40 DIAB O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC1CCCCC1 6582081 IACAVAYUXQMBHW-IBGZPJMESA-N 315.457 4.480 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 6880572 KNDINOFCROLACF-UHFFFAOYSA-N 311.381 4.123 0 40 DIAB CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccs1 7078101 WTMIBZGIACKMSU-GOSISDBHSA-N 312.438 4.285 0 40 DIAB CC(C)c1ccc(CCNC(=O)C2(c3ccccc3)CC2)cc1 7779029 SREBGNJPXYPRML-UHFFFAOYSA-N 307.437 4.201 0 40 DIAB Cc1cccc(N(CC(=O)c2ccccc2)C2=NCCCS2)c1 8414608 ZQCQJONULPTQEW-UHFFFAOYSA-N 324.449 4.177 0 40 DIAB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1C 11289272 KHQSEKUITIDALT-GZTJUZNOSA-N 320.392 4.166 0 40 DIAB CCCc1cc([C@H]2CCCCCN2Cc2cccc(C)n2)no1 12143952 KAMMVGJJLTUKEC-LJQANCHMSA-N 313.445 4.448 0 40 DIAB O=C1N[C@@H](c2ccc(SC(F)(F)F)cc2)Nc2ccccc21 12526507 ONQJSTCKYLJCLS-ZDUSSCGKSA-N 324.327 4.153 0 40 DIAB Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(F)cc12 12849530 NDXFUYUXIKAYEK-UHFFFAOYSA-N 309.340 4.079 0 40 DIAB Clc1ccccc1CN1COc2c(ccc3cccnc23)C1 13207936 YSDAVBBZXPACDW-UHFFFAOYSA-N 310.784 4.240 0 40 DIAB COCCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 13786184 JBXBQFBCZUUXQD-VXPUYCOJSA-N 324.449 4.486 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 13856386 RPWMZIXVNIVNQK-CQSZACIVSA-N 315.438 4.431 0 40 DIAB COc1cccc(NC(=S)Nc2ccc(OC)c(Cl)c2)c1 13935124 KGXQRZVAJGPTGQ-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 14085019 JKDFOYDCDJIPEX-UHFFFAOYSA-N 307.349 4.419 0 40 DIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 15331134 WEQWZMDSPLPPGA-SECBINFHSA-N 311.715 4.024 0 40 DIAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cccc(Cl)c1 17031468 NKTMGWPQYATAOO-JTQLQIEISA-N 306.818 4.042 0 40 DIAB O=C(c1ccc2ccccc2n1)N(Cc1ccccc1F)C1CC1 19296109 SPGAUMYMWHKFTR-UHFFFAOYSA-N 320.367 4.179 0 40 DIAB Fc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 19346907 JYFVHGFLSFULOP-MRXNPFEDSA-N 309.388 4.082 0 40 DIAB Fc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 19346909 JYFVHGFLSFULOP-INIZCTEOSA-N 309.388 4.082 0 40 DIAB CC1CCN(C2CCN(Cc3cc4ccccc4o3)CC2)CC1 19496848 ARHDLTLJJBOQQS-UHFFFAOYSA-N 312.457 4.129 0 40 DIAB COc1ccc2c(c1)C=C(C(=O)Nc1cccc(C)c1C)C=CO2 19809959 HRAMXYCREXHBQX-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cn1 31803670 DBUOXKQHDIHDIL-MRXNPFEDSA-N 300.427 4.113 0 40 DIAB O=C(Oc1ccc2c(-c3ccccc3)noc2c1)c1ccco1 32094636 VICJHUNUVOJZFT-UHFFFAOYSA-N 305.289 4.307 0 40 DIAB O=C(CNc1ccc(OC2CCCC2)cc1)Nc1ccccc1 32770469 IIWLRGVDWCQFBO-UHFFFAOYSA-N 310.397 4.059 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c1 32931082 ZSMCHCKNUZVIMJ-ZDUSSCGKSA-N 319.351 4.396 0 40 DIAB CCc1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 40098842 PZBOKDRYGRUGRS-LBPRGKRZSA-N 300.324 4.055 0 40 DIAB Cc1cc(Br)ccc1NC(=O)N1CCC[C@@H](C)C1 40103645 SFCUTSJQGSWLSV-SNVBAGLBSA-N 311.223 4.021 0 40 DIAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)C1 44838699 CCWHQMILQIZCTO-CQSZACIVSA-N 319.408 4.102 0 40 DIAB Nc1ccc(-c2nc(-c3ccccc3Cl)no2)c(Cl)c1 50438632 CLVZAOPWJLGTOB-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB CCCc1nc(CN(Cc2ccsc2)c2ccccc2)no1 60375440 QUABCUDMXHJWNK-UHFFFAOYSA-N 313.426 4.290 0 40 DIAB CCc1ccc(-c2nc(N)c3nc(-c4ccccc4)oc3n2)cc1 82087257 XGDUNBRLCCLPRS-UHFFFAOYSA-N 316.364 4.096 0 40 DIAB OC1CCC(N[C@@H]2CCCSc3ccc(Cl)cc32)CC1 90800638 HFRGTMHTYUBFIX-SSDMNJCBSA-N 311.878 4.160 0 40 DIAB CC(=O)c1ccc(OCc2nc(Cl)ccc2Cl)cc1F 96010430 QIYGTOLNGJZIRX-UHFFFAOYSA-N 314.143 4.309 0 40 DIAB Cc1ccc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 225274814 HGJWHRJPVYMBOB-UHFFFAOYSA-N 307.437 4.398 0 40 DIAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(F)cc2)c1 225523198 BNWYSKJBHLVGRJ-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB O[C@]1(c2ccccc2)C[C@H](c2ccccc2)Oc2ccccc21 1023940 VBRFJCHHHLDPTG-RTWAWAEBSA-N 302.373 4.446 0 40 DIAB CCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 2594423 JMCKPMJVAWYGHL-UHFFFAOYSA-N 321.323 4.329 0 40 DIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 3608109 STYRLWGQVWXAGW-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB C[C@H]1CCc2cc3c(cc2N1C(=O)c1ccccc1)CC[C@@H](C)N3 3844773 YSFOORUETXTNPD-CABCVRRESA-N 320.436 4.415 0 40 DIAB biogenic CCCCn1c(SC)nc2sc3c(c2c1=O)CCCCC3 3902145 DFBYFLJUEVFSAP-UHFFFAOYSA-N 322.499 4.249 0 40 DIAB Cc1cc(C)c(/C=C/c2cc(C(F)(F)F)nc(O)n2)cc1C 4957396 XWSZHDSFJLVKPM-SNAWJCMRSA-N 308.303 4.297 0 40 DIAB O=C(Nc1cccc(Cl)c1)Nc1nc(Cl)cc(Cl)n1 5892173 DTAYQGMPUARQIK-UHFFFAOYSA-N 317.563 4.081 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 5937133 NWFLEUKRCKWXQN-VNQPRFMTSA-N 305.487 4.336 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1 7050664 WYBLYPGUAXMFDK-UHFFFAOYSA-N 303.427 4.002 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 7935345 OCNZSLCPLAPDIE-CQSZACIVSA-N 315.438 4.431 0 40 DIAB CCc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 7973556 JNLGNFALIYBHDV-WJDWOHSUSA-N 311.768 4.247 0 40 DIAB Oc1nc2c(s1)[C@H](c1ccco1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 7991278 PGOHYRVPWXTGJJ-ULWKEAJMSA-N 305.424 4.094 0 40 DIAB O=C(NC1CCCCCCC1)c1nc(Cl)ccc1Cl 8037799 DBDDXPRMHQPFTR-UHFFFAOYSA-N 301.217 4.231 0 40 DIAB CCOc1ccccc1C(=O)Nc1cc(-c2ccc(C)cc2)no1 8612411 URXMTFZJDXBGDD-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB COc1ccccc1NC(=O)N(C)Cc1ccc(C(C)C)cc1 9314435 KSDYPJLJEAROBA-UHFFFAOYSA-N 312.413 4.483 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@H]1C[C@H]3CC[C@@H]1C3)OCO2 12411445 WJRFPNFAKYJALO-GZBFAFLISA-N 315.413 4.133 0 40 DIAB CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 13004111 FQNREBBBWTUUAJ-UHFFFAOYSA-N 304.393 4.323 0 40 DIAB CN(C)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 16597003 DOEMMQYIYPLNSX-UHFFFAOYSA-N 321.424 4.195 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20138832 CXAIZTHROAYBKB-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 20569826 VAWPWBMZIDUEHE-HZSPNIEDSA-N 318.461 4.229 0 40 DIAB O=C(CCc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 24613187 NXJBBENAJYBTNV-GOSISDBHSA-N 313.828 4.466 0 40 DIAB COc1cccc(CN[C@H](C)c2cc3cccc(OC)c3o2)c1 28925803 JUEGCSBCAIVKHB-CYBMUJFWSA-N 311.381 4.301 0 40 DIAB CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2SC)c1 40161235 QPGTWZCMGUTHKD-CYBMUJFWSA-N 314.454 4.410 0 40 DIAB OC1CCC(NCc2ccc(-c3ccccc3Cl)s2)CC1 42734514 HNGCEHYWJFCGST-UHFFFAOYSA-N 321.873 4.462 0 40 DIAB Cc1noc(C2CCN([C@H](C)c3ccc4ccccc4c3)CC2)n1 53618214 DOSLKGNONHLEGL-CQSZACIVSA-N 321.424 4.472 0 40 DIAB Cc1noc(C(C)C)c1C(=O)N[C@H]1C[C@@H]1c1ccccc1Cl 69654041 MGUGCLULZPXZAN-OCCSQVGLSA-N 318.804 4.046 0 40 DIAB c1ccc(SCc2ccsc2)c(NCc2ncc[nH]2)c1 95428616 UEJYUBOCNQKXBR-UHFFFAOYSA-N 301.440 4.376 0 40 DIAB Cc1cc(Br)c2nc(-c3ccc(F)cc3)[nH]c2c1 199895292 FXDBXBNJCJLTMI-UHFFFAOYSA-N 305.150 4.440 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCc2ccccc21 222962749 OBYPOHQORSQMRQ-SFHVURJKSA-N 309.409 4.050 0 40 DIAB CCCCc1ccc(C[C@H](OCc2ccccc2)C(=O)O)cc1 225130222 NKODTYZVTSIORP-IBGZPJMESA-N 312.409 4.242 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCCSC2CCCC2)cc1 225515471 XDRHXFFGBBRAPA-UHFFFAOYSA-N 305.487 4.390 0 40 DIAB COc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(C)C 225657125 RLDONGTYUJVAEQ-CKEIUWERSA-N 301.430 4.045 0 40 DIAB CCCO[C@@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@H](C)C1 225660696 SLKPOYSFSLAESI-KSSFIOAISA-N 305.418 4.009 0 40 DIAB CNc1ccc2nc(-c3ccc(Br)cc3)oc2c1 226270750 LMSMERBYWPCQOI-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB FC(F)(F)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1889118401 BLIMITHACGJNHU-UHFFFAOYSA-N 304.699 4.260 0 40 DIAB O=C(c1ccc(Br)cc1)N1CCCc2ccccc21 146658 MTXLDXAUVSDSRQ-UHFFFAOYSA-N 316.198 4.042 0 40 DIAB COc1cc(SC)ccc1C(=O)Nc1cc(C)cc(C)c1 373104 IIDRLWWVCWUHOF-UHFFFAOYSA-N 301.411 4.286 0 40 DIAB CCOC(=O)c1sc(=S)n(-c2ccc(C(C)C)cc2)c1N 425165 NBOLWHRGNHYEKW-UHFFFAOYSA-N 322.455 4.151 0 40 DIAB CCOc1cccc(C(=O)Nc2ccccc2Br)c1 514156 FKHPXIPTIPRZCO-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB Cc1ccc(OCCCCNC[C@H]2CCCO2)c(C(C)(C)C)c1 3247025 SOZKIJQGZWGXKN-QGZVFWFLSA-N 319.489 4.220 0 40 DIAB COc1ccc(C)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 3343627 OPHGBSHMGYSHGL-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Cl 3904947 UZHMQBMKYWOFAJ-MGPQQGTHSA-N 309.837 4.148 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4040482 NQUQIAYCNLKMTR-RXLILWNASA-N 316.441 4.265 0 40 DIAB O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 4218558 WSVINEDXBQGKDE-UHFFFAOYSA-N 301.292 4.130 0 40 DIAB C[C@H]1C[C@H](C)CN(c2csc3ccc(Cl)cc3c2=O)C1 4478872 WAGMNCXFFLMXIP-QWRGUYRKSA-N 307.846 4.397 0 40 DIAB COc1ccc(Nc2nnc(-c3cccnc3)s2)cc1Cl 4751262 IEASWOMEUGJMCL-UHFFFAOYSA-N 318.789 4.006 0 40 DIAB COc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)cc1 4751634 CAMCJRORMZFXCM-UHFFFAOYSA-N 319.408 4.427 0 40 DIAB COc1ccc(C)cc1CSc1nnc(C2CC2)n1C1CC1 5399368 UMCZFMHQWNMCMR-UHFFFAOYSA-N 315.442 4.100 0 40 DIAB COc1ccccc1OCCC(=O)Nc1ccc2ccccc2c1 5937727 FUEAJCBBVUCTOO-UHFFFAOYSA-N 321.376 4.256 0 40 DIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc(F)cc2)cc1 6560064 GRGUMSLVRJTWCL-LLVKDONJSA-N 317.385 4.148 0 40 DIAB CC[C@@H](C)[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 6657793 IHKFANIBBSIACI-DYVFJYSZSA-N 307.397 4.331 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc2c(O)cccc12 7519924 LSAAWOVDWYGGFQ-IUODEOHRSA-N 314.454 4.411 0 40 DIAB C[C@H](NC(=O)CCc1nc2ccccc2s1)c1cccs1 9455376 JJNGUQHVGFEMNH-NSHDSACASA-N 316.451 4.168 0 40 DIAB O=C(c1ccccc1)N(Cc1ccc(F)cc1)c1ccccn1 11914841 GXZSRQYUSPQZAB-UHFFFAOYSA-N 306.340 4.068 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cccc2c3c([nH]c12)CCCC3 12229181 SDZCSWWUOFFLPT-UHFFFAOYSA-N 308.356 4.438 0 40 DIAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(C)cn3)ccc2c1 12544982 KUJWTVQUGTZVCE-CQSZACIVSA-N 320.392 4.294 0 40 DIAB Cc1cccc(NC(=O)CSc2ccc3ccccc3c2)n1 12574668 HVZIQKBHUPZAPT-UHFFFAOYSA-N 308.406 4.274 0 40 DIAB Cc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 12788072 JECCVLRZBWEPOJ-UHFFFAOYSA-N 305.377 4.411 0 40 DIAB C[C@@H]1CCC[C@]2(C1)NC(=S)c1c(sc3c1CCCC3)N2 13468792 ZTOTWGKXKZHRDV-HWPZZCPQSA-N 306.500 4.224 0 40 DIAB aggregator COc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13669534 QETQVIAQHCNSTD-AWEZNQCLSA-N 311.425 4.484 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 15357611 YXJXKUJHWXTRFJ-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CCCn1nccc1C(=O)Nc1ccccc1-c1ccccc1 32648327 RVILFKJKNGPKDU-UHFFFAOYSA-N 305.381 4.212 0 40 DIAB O=C(CCc1ccsc1)NCCc1cccc2ccccc12 32915105 PUUBCYYMQOYRMQ-UHFFFAOYSA-N 309.434 4.193 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(Oc2ccccc2)cc1 34099895 MSFZEAUJPOMSMY-UHFFFAOYSA-N 312.365 4.395 0 40 DIAB O=C(c1ccccc1C(F)(F)F)N1CCCc2ccc(F)cc21 40117132 RCEITEOOPWURBS-UHFFFAOYSA-N 323.289 4.438 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1OC 40162138 NIAHAGQTVSOUOX-UHFFFAOYSA-N 309.818 4.072 0 40 DIAB CCOc1cccc(CNC(=S)Nc2ccccc2Cl)c1 44155651 YNAHBJRKRRGEIV-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 44843016 GPAOFWZGRYETNT-CQSZACIVSA-N 317.816 4.074 0 40 DIAB CCN(c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1)C(C)C 58367062 NVEMIDWZEZQCQT-UHFFFAOYSA-N 324.424 4.376 0 40 DIAB O=C(Cc1ccccc1O)Nc1ccc2c(c1)oc1ccccc12 58428130 GGVXOVDTOQFBBP-UHFFFAOYSA-N 317.344 4.473 0 40 DIAB CCc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C)s2)cc1 61037264 OMFXZVNTSYCFFC-UHFFFAOYSA-N 302.443 4.209 0 40 DIAB Cc1cc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)on1 69740315 JNKXQFQCIHHVDJ-UHFFFAOYSA-N 314.291 4.181 0 40 DIAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 70037258 QCCFWKHNQFQVBQ-BNOWGMLFSA-N 312.438 4.010 0 40 DIAB CCN(CC)CCCN[C@H](Cc1ccccc1)c1ccccc1 71788873 MQOFTYLTYOIKJL-OAQYLSRUSA-N 310.485 4.292 0 40 DIAB CC(C)CNc1ncccc1[C@H]1CCCN1Cc1ccccc1 72213244 IJRARKQPHYQUJQ-LJQANCHMSA-N 309.457 4.487 0 40 DIAB C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 95968328 AOWTZTFLDZAIAK-DNVCBOLYSA-N 321.399 4.250 0 40 DIAB CC1(C)CCC(N[C@H](Cc2ccncc2)C(F)(F)F)CC1 95968500 XKIUDMVJMXZFNV-CQSZACIVSA-N 300.368 4.113 0 40 DIAB CC(C)c1nnc(COc2ccc(Cl)c3c2C(=O)C[C@H]3C)o1 96403348 FJRSMQGUBOICPS-SECBINFHSA-N 320.776 4.115 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4ccc(Br)cc4)[C@@H]1CC[C@@]23C 101078258 SQKXZXNUXWFJFG-SYAUCNOPSA-N 320.230 4.214 0 40 DIAB CC(C)c1ccc([C@@H]2Nc3nonc3N=C3CCCC(O)=C32)cc1 101973533 QRMKGCFJJXHMKW-INIZCTEOSA-N 324.384 4.428 0 40 DIAB Cc1cc(NC(=O)CSC(C)(C)C)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 108375060 MZXSEOZRKVHKKX-MELADBBJSA-N 321.490 4.023 0 40 DIAB CCOC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)s1 199554000 IPJVLLQNIJMFKA-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 219848589 BARJUXXZXNVGDJ-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB CCc1ccc(CC(=O)NCc2cccc3ccccc23)cc1 222895661 QWGOPFDHIWIVSH-UHFFFAOYSA-N 303.405 4.261 0 40 DIAB CCN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1F 225104794 WMRHDZXTLHDYRY-UHFFFAOYSA-N 305.780 4.070 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(Cl)c1 225621378 DLCMFHXTEBVPRH-INIZCTEOSA-N 313.825 4.273 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@](C)(CC)OCC)cc1C 225686463 NOLMEUQUGDYKOS-SFHVURJKSA-N 307.434 4.236 0 40 DIAB CCc1nc2cc(C(=O)Nc3ccc(C)cc3C)ccc2n1C 225896223 FVHPIUPEEGABRA-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB Nc1ccc2nc(/C=C/c3ccc(Br)cc3)oc2c1 226249858 AMCSFFDOLXXSEA-FPYGCLRLSA-N 315.170 4.343 0 40 DIAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@H](CCCCO)C2 256052134 MANYOEBQAYAWSE-OAHLLOKOSA-N 319.445 4.071 0 40 DIAB Fc1cccc(OCCN2CCCC2)c1Oc1ccccc1 585265639 VVJCPPRIVKDGIG-UHFFFAOYSA-N 301.361 4.093 0 40 DIAB CC(C)(C)c1cc(S(N)(=O)=O)c2cc(C(C)(C)C)ccc2c1 284468 ROZYSWATIIRKBN-UHFFFAOYSA-N 319.470 4.082 0 40 DIAB CC1(C)c2ccccc2-c2nc3ccccc3c3c2[C@H]1OC3=O 1578742 GUNPHVUQXWLBBL-GOSISDBHSA-N 301.345 4.405 0 40 DIAB O=C(Nc1cccc(C(=O)O)c1)Nc1cccc(C(F)(F)F)c1 1752687 JMNVJRNQPFAFEP-UHFFFAOYSA-N 324.258 4.048 0 40 DIAB CC(C)(C)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 2648944 BVXDKGPCVOJOCF-KRWDZBQOSA-N 323.392 4.224 0 40 DIAB CCC(CC)C(=O)OCC(=O)c1cc(Cl)ccc1Cl 3227559 YGONQNWRAJIKDV-UHFFFAOYSA-N 303.185 4.156 0 40 DIAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1 3503909 NEKYXLXHAGVURF-NSHDSACASA-N 314.435 4.416 0 40 DIAB CC(C)Cn1c(S)nnc1-c1ccc(Cl)cc1Cl 3887652 ZTGWHVJETUSOIJ-UHFFFAOYSA-N 302.230 4.197 0 40 DIAB Fc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1 4137799 CPRXGLJWCDKSRH-UHFFFAOYSA-N 312.329 4.229 0 40 DIAB CN(C)C[C@@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 4537485 KBGPTRHFMZERIT-DDKKJVIOSA-N 301.817 4.105 0 40 DIAB C(=C/c1nn2c(-c3ccccc3)nnc2s1)\c1ccccc1 4664795 XCVQAHLOOVAPCN-VAWYXSNFSA-N 304.378 4.023 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1 5062645 NVIVHVYLYCEBOP-LPHOPBHVSA-N 323.436 4.427 0 40 DIAB COc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 5361804 SSSJWIATNOJGNQ-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)O[C@@H](C)C3)cc1 8684984 AEQTYHLWMVTNJH-DJJJIMSYSA-N 320.392 4.163 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N(C)c2ccccc2)cc(C)c1Cl 10287306 DAZZWSNMINSXQS-CQSZACIVSA-N 317.816 4.387 0 40 DIAB Clc1ccc(-c2nnc3sc(-c4ccsc4)nn23)cc1 12409553 BEAJRWZMEALGHB-UHFFFAOYSA-N 318.814 4.235 0 40 DIAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)cc1F 13006362 ZYIHZCOOAZXVKI-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB Cc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1 13668803 NPCSLWHFGUBVKL-INIZCTEOSA-N 313.466 4.225 0 40 DIAB Cc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832457 ZUFGOGHKEFWBPD-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCc1ccccc1F 16322893 PJBUWERFVONHMG-UHFFFAOYSA-N 317.404 4.301 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 20452047 QTJGVSKCVYMLKK-CQSZACIVSA-N 315.438 4.431 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c1C 20456320 DCQZUKXIMFHQQE-MRXNPFEDSA-N 301.430 4.077 0 40 DIAB CC(C)CCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20460957 RLKMBFFKFYOAIW-UHFFFAOYSA-N 322.452 4.025 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1sccc1-n1cccc1 25153300 GDBHWHOUKDOPGK-UHFFFAOYSA-N 304.321 4.069 0 40 DIAB Clc1ccc2oc([C@H]3CCN(Cc4ccccc4)C3)nc2c1 35442900 NACRNZGTZKVXLQ-AWEZNQCLSA-N 312.800 4.471 0 40 DIAB biogenic,in-vitro CSc1ccccc1C(=O)c1ccc(Br)cc1 43210227 JHTWABUUOCNCDE-UHFFFAOYSA-N 307.212 4.402 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(C(C)C)C(C)C 44847385 FAFBFQMTLDSSAB-QGZVFWFLSA-N 305.462 4.258 0 40 DIAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=O)c1 53944029 QQQREMNUBOQTIP-UHFFFAOYSA-N 306.365 4.141 0 40 DIAB Fc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc[nH]3)co2)cc1 58046519 NDBSVUOAQKGTIY-QGZVFWFLSA-N 311.360 4.146 0 40 DIAB CCc1cccc(C)c1NC(=O)C1=NO[C@@H](c2ccccc2)C1 59423237 LSXVRMUNAUVPBV-QGZVFWFLSA-N 308.381 4.014 0 40 DIAB Cc1ccc2nc(SC(=O)NC3CCCCC3)nc(C)c2c1 59431826 DYBBHKOEWQWVRN-UHFFFAOYSA-N 315.442 4.381 0 40 DIAB Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)c1ccccc1 61198749 WLCVJUURFVOKMR-UHFFFAOYSA-N 316.470 4.414 0 40 DIAB CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 61961106 BOKHDZPTDBWTQJ-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 70462041 IPASEGBGVRSQIP-UHFFFAOYSA-N 310.353 4.247 0 40 DIAB FC(F)c1nc(Oc2cncc(Cl)c2)c2ccccc2n1 77985947 NYDZGCFVOLPCAU-UHFFFAOYSA-N 307.687 4.408 0 40 DIAB COc1ccc(-c2cc(Cl)nc(Cc3ccccc3)n2)cc1 78401354 ZPUUTAHXEMHIMZ-UHFFFAOYSA-N 310.784 4.396 0 40 DIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1scnc1C1CC1 89658589 CZFCIESMVONMKK-VIFPVBQESA-N 322.380 4.132 0 40 DIAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCCC1 96134079 GJQPUXNYXKQJIK-UHFFFAOYSA-N 302.418 4.164 0 40 DIAB Cc1nnc(CS[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 96467834 IRPDLAXJUSAFTJ-QMMMGPOBSA-N 302.321 4.391 0 40 DIAB C[C@@H](Nc1cccc(OCc2cscn2)c1)c1ccncc1 97045934 MVUXRGZCQSXGCZ-CYBMUJFWSA-N 311.410 4.290 0 40 DIAB N=c1c2ccccc2[nH]c(=S)n1-c1ccc2ccccc2c1 100352746 YMQVFOPJTSWDRV-UHFFFAOYSA-N 303.390 4.321 0 40 DIAB Cc1cccc(-n2c(C)cs/c2=N\C(=O)c2ccccc2)c1C 100840867 ISFWGVNOSSARCY-VXPUYCOJSA-N 322.433 4.205 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1 113955873 QPSHVYWMZLRHIF-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB CCc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)O 225040762 PKYIKXTWDGSCLB-LJQANCHMSA-N 312.409 4.249 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)cc2)CCC(C)CC1 225667712 MNYJWUCZTXNZIO-UHFFFAOYSA-N 305.418 4.009 0 40 DIAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1O[C@H](C)CC 225785164 VXPDSVXDVSAFRM-GFCCVEGCSA-N 321.417 4.025 0 40 DIAB CC(C)(C)SCc1nnc2sc(-c3ccccc3F)nn12 1501040377 NIUMWZVZKVHAAF-UHFFFAOYSA-N 322.434 4.024 0 40 DIAB C[C@@]12CC[C@@H](O)[C@]1(C)CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 2049238304 DQOPJSFDWXFQLN-QMNUTNMBSA-N 304.474 4.061 0 40 DIAB CN(Cc1ccccc1)c1ncnc2sc3c(c12)CCCC3 98632 ZGEMLILPYATYHS-UHFFFAOYSA-N 309.438 4.207 0 40 DIAB CC(C)CN1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C 494992 LGLVOCJARXFZAT-KRWDZBQOSA-N 324.852 4.115 0 40 DIAB COc1ccccc1/C=C/C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 525706 YGLPYFAKQFPPQD-CWYMVJMUSA-N 313.441 4.136 0 40 DIAB COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2C)cc1 559692 YJEXHCJYJQAOPB-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB O=C1C=CC(=O)N1c1ccc(Nc2ccccc2)c2ccccc12 2584380 DUFUXAHBRPMOFG-UHFFFAOYSA-N 314.344 4.013 0 40 DIAB O=C(NCc1ccccc1)c1cccc(Oc2ccccc2)c1 3149871 ZWLHUMXMYAFVQO-UHFFFAOYSA-N 303.361 4.409 0 40 DIAB Cc1cccc(N(C(=O)c2ccccc2)C2=NC[C@@H](C)S2)c1 3321799 YRQWYCOYKQEEQU-CQSZACIVSA-N 310.422 4.133 0 40 DIAB CCCCC(=O)Nc1c(-c2ccccc2)nc2cc(C)ccn12 3899585 LLBRXVDIWLDQJU-UHFFFAOYSA-N 307.397 4.438 0 40 DIAB CCOc1cccc2sc(N3CCc4ccccc4C3)nc12 4137849 BYMBHYIWVRJMIP-UHFFFAOYSA-N 310.422 4.258 0 40 DIAB C[C@H](NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 4969221 HGWKOWHSFFTYKL-HNNXBMFYSA-N 308.425 4.213 0 40 DIAB Cc1ccc(C)c(-n2c(S)nnc2-c2cccc(Cl)c2)c1 6183916 CUQBPUALRMJOFW-UHFFFAOYSA-N 315.829 4.493 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2cccc(C)c2)cc1 6967537 ULRWMXJEGQABAP-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)cc1 8479081 NKLVYWSXTXYPJV-INIZCTEOSA-N 313.397 4.054 0 40 DIAB C[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(Cl)c1 9376714 GYHXPGGLEBLBGH-CYBMUJFWSA-N 302.805 4.243 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 11899236 ODCLLFUJIYGMMC-UHFFFAOYSA-N 320.219 4.455 0 40 DIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1C 13709661 RLBLVXDXOVSONW-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CC(=O)Nc1cccc(Oc2ccc(N)cc2C(F)(F)F)c1 14630229 HZMMLLANDZYNCF-UHFFFAOYSA-N 310.275 4.038 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC)cc1OC 15964900 KNXJSONXCHGFBQ-CYBMUJFWSA-N 313.397 4.470 0 40 DIAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2cccs2)CC3=O)cc1 17056155 VFFHWUIZUKWAQF-AWEZNQCLSA-N 322.433 4.463 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1 22527381 YHAYQDXVDNOXPH-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2ccccc2o1 31536484 CTPQNCQWCXKYSQ-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccc(OC2CCCC2)cc1 32769605 ZKALVQBVLRTEOK-UHFFFAOYSA-N 309.409 4.498 0 40 DIAB CSc1ccc(NC(=O)CSCc2csc(C)n2)cc1 32810705 ADKVPXVAWLYCJF-UHFFFAOYSA-N 324.496 4.045 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 40074647 WQJVCNXQQXFPQK-JTQLQIEISA-N 309.818 4.291 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 44964000 ZDHCJEIGTNNEMY-SFUSBHMVSA-N 302.458 4.269 0 40 DIAB COCc1ccccc1NC(=O)N[C@H](C)c1cc2ccccc2o1 46032928 FCXMVULNYLWLLG-CYBMUJFWSA-N 324.380 4.462 0 40 DIAB Clc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1 67284741 ARLQWUYVEAKYKK-UHFFFAOYSA-N 312.804 4.040 0 40 DIAB Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1ccncc1 69490568 HPOOHWUOMYYFFY-LBPRGKRZSA-N 323.421 4.005 0 40 DIAB CC(C)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229838 MLNWQTNYKHRUQN-INIZCTEOSA-N 303.789 4.016 0 40 DIAB C[C@H]1CCc2ccccc2N1C(=O)c1coc(-c2ccccc2)n1 78037085 WLEQHHNTWLDWDP-AWEZNQCLSA-N 318.376 4.323 0 40 DIAB Cc1ccc(-c2noc([C@H](C)Sc3ccccn3)n2)cc1F 84185392 CTJFHBHAWFFXJM-NSHDSACASA-N 315.373 4.432 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)s1 95117782 OVLLIXYMNBRQBL-CYBMUJFWSA-N 308.406 4.155 0 40 DIAB COC[C@H](N[C@@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 95968847 SYQUNUCFCQBUAN-YUELXQCFSA-N 303.427 4.182 0 40 DIAB Cc1nnc(CS[C@H](C)c2ccc(C(F)(F)F)cc2)o1 96467836 IRPDLAXJUSAFTJ-MRVPVSSYSA-N 302.321 4.391 0 40 DIAB Cc1ccc(CNc2ccc(CCC(=O)N3CCCC3)cc2)cc1 96482804 WXOIIKAZRWCHST-UHFFFAOYSA-N 322.452 4.162 0 40 DIAB CC[C@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 97017078 FMCKBCIIHZGDEY-BEFAXECRSA-N 323.440 4.010 0 40 DIAB CC1(C)C[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]13C[C@@H](CC[C@H]21)[C@@](C)(O)C3 100145136 YVJJGMPQYRNACB-QLVFJVLCSA-N 306.490 4.141 0 40 DIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999219 CQYWEMBOCPBRBK-YFCNSXCBSA-N 311.347 4.260 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@H](c1ccccc1)c1ccncc1 106900496 SQOFHEXURVHRHX-XJRBWHPUSA-N 320.436 4.114 0 40 DIAB Cc1cc(NCCN)c2cccc(Sc3ccccc3)c2n1 222692432 VBEBMWBICGVNSL-UHFFFAOYSA-N 309.438 4.065 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)NC(C)(C)CC(C)(C)C 224612278 WTTUEHMDUCFLIM-CQSZACIVSA-N 321.461 4.184 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 224624203 YCTQPAMPXCKZDO-MRXNPFEDSA-N 309.837 4.194 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225278086 PGAVMOGYGAHDAI-BVIKNXMNSA-N 315.457 4.191 0 40 DIAB CNc1ccc2oc(-c3ccc(Br)cc3)nc2c1 226270258 DBOCMKJKINQQKO-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 227146480 HCKHKZZVJLEUGA-UHFFFAOYSA-N 318.376 4.197 0 40 DIAB Cc1ccc(CSc2nc(O)c3c(C)csc3n2)cc1 408597841 HFEFPATWLYKFDT-UHFFFAOYSA-N 302.424 4.306 0 40 DIAB c1ccc2cc(OCCN3CCCC[C@H]3c3cn[nH]c3)ccc2c1 512297594 ZDZOWZRZDFDMMK-FQEVSTJZSA-N 321.424 4.169 0 40 DIAB O=C(OCc1ccco1)C1c2ccccc2Oc2ccccc21 355442 NFTQVPUPBCLAHD-UHFFFAOYSA-N 306.317 4.261 0 40 DIAB CCN(CC)C(=O)CSc1nc2c(C)ccc(C)c2cc1C 412487 NVNJIFZBRGXUKN-UHFFFAOYSA-N 316.470 4.121 0 40 DIAB COc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1 558597 WWLHKRZTQJKBIC-UHFFFAOYSA-N 310.353 4.098 0 40 DIAB C[C@H](CN(C)C)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698634 GYKTWUOGJHJSJV-KDOFPFPSSA-N 309.881 4.306 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(OC)ccc12 2044530 UPZNYIXLPMJBBS-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncs1 5101199 MAEJDPQMDDWQTO-QWRGUYRKSA-N 321.471 4.171 0 40 DIAB COc1ccc2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1 5347986 FZRWSZQPKNCTSU-UHFFFAOYSA-N 318.735 4.221 0 40 DIAB S=C(Nc1ccc(Cl)cc1)Nc1ccc2cn[nH]c2c1 5657886 SVGIDUTZYYPDQM-UHFFFAOYSA-N 302.790 4.025 0 40 DIAB Cc1cc(NC(=O)COc2cc(C(C)C)c(Cl)cc2C)no1 6127721 ZPOZKGZWIVVXNA-UHFFFAOYSA-N 322.792 4.086 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCC(=O)c1ccc(F)cc1 6602988 RKQICKHMZJFLNO-AWEZNQCLSA-N 307.409 4.121 0 40 DIAB O=C(Nc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 6940748 HTRBCECJPAPREU-UHFFFAOYSA-N 317.392 4.489 0 40 DIAB O=C(Nc1ccc(Br)cc1Cl)c1ccccc1 7748320 QEUOKWWQRGOWNE-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1c(Cl)cccc1Cl 8500224 NIXHWIVZAWVCKR-UHFFFAOYSA-N 322.147 4.492 0 40 DIAB Cc1ccnc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 12539701 QVILFBOSUSIXLY-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB Cc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 12922572 FZOOGHNAIFHAJU-UHFFFAOYSA-N 323.436 4.186 0 40 DIAB CCc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3C)cc2c1 13561349 DOHOVIFGWHWQPD-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB Cc1cccc(CCCNC(=O)/C=C/c2ccccc2Cl)c1 13632768 AZUPBOUKUVYZDM-VAWYXSNFSA-N 313.828 4.411 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)c(F)c1 13847307 PTVWPFFOYJTUQQ-MRXNPFEDSA-N 305.324 4.069 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2ccccc2)n1 14373384 ICNMNWYFTVLUNK-MRXNPFEDSA-N 320.417 4.227 0 40 DIAB COc1cccc2ccc(CNC3(c4cccc(F)c4)CC3)nc12 19568478 OYYGHYSBSQMTKW-UHFFFAOYSA-N 322.383 4.161 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C)cc1 21117211 CMQTVPAXOWWJTN-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2)o1 22288619 IJOYRKVNOLBLAF-UHFFFAOYSA-N 323.396 4.295 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 30856109 ZJGZIEKHCXRVHA-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB Cc1nc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)oc1C 33873727 JWVIVDYJRPEWOV-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CC[C@H]1c1ccccc1 45120409 JIRGTWLKTWNDAO-QAPCUYQASA-N 324.424 4.221 0 40 DIAB Cc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)on1 48343534 MNOXXHATBOUMQR-AWEZNQCLSA-N 304.365 4.029 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccs1 48646004 YYXMHSUOENYYEU-CYBMUJFWSA-N 306.456 4.029 0 40 DIAB Cc1ccc2cc3c(nc2c1)O[C@@H](C)CN(Cc1ccccc1)C3 57712478 YXWGLFPPMNLQRO-INIZCTEOSA-N 318.420 4.326 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)[C@H]1C[C@@H]1c1ccccc1Cl 58423666 AVAPQXGGIPZHAP-MNOVXSKESA-N 318.829 4.027 0 40 DIAB CCSc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cn1 63711184 SRPREQCCZKNBAQ-UHFFFAOYSA-N 315.442 4.199 0 40 DIAB CCc1cc(N)cc2nc(-c3ccc(OC)c(Cl)c3)oc12 73642652 DZPDSHIQWBGTAH-UHFFFAOYSA-N 302.761 4.301 0 40 DIAB COc1cc2nccc(Oc3ccc(Cl)nc3)c2cc1OC 90529020 FNIKBXUMRCVQCB-UHFFFAOYSA-N 316.744 4.093 0 40 DIAB CN(C)C(=O)c1cccc(CN(C2CCCC2)C2CCCC2)c1 95469704 WLZIXAYMKRHDNJ-UHFFFAOYSA-N 314.473 4.076 0 40 DIAB C[C@@H](CN[C@@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 96478891 QOBIWRZHAAGKPX-FZMZJTMJSA-N 314.376 4.010 0 40 DIAB Nc1oc(=O)c2ccccc2c1Nc1ccc(Cl)c(Cl)c1 101425862 VCQXGCRYZKEXEA-UHFFFAOYSA-N 321.163 4.426 0 40 DIAB CN1O[C@@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 104329288 VQENKECTAMDLLE-VAMGGRTRSA-N 323.436 4.349 0 40 DIAB O=C(O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12 216950952 LSIUNKRRHGUXKC-UHFFFAOYSA-N 315.328 4.181 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223151235 RRTNIXUCYAOAGL-RDRICISKSA-N 321.420 4.075 0 40 DIAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)cc1 225070382 WFWZXZQTWVQTFR-INIZCTEOSA-N 304.773 4.032 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1775973788 OLYLQFLHNKCVTH-KBPBESRZSA-N 319.807 4.265 0 40 DIAB CCc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc1 144452 UHSPZHIPEGNPNA-UHFFFAOYSA-N 313.397 4.054 0 40 DIAB CCCCN1CC[C@H](CNc2ccnc3cc(Cl)ccc23)C1 1672562 POCBOQIQIWTVTO-CQSZACIVSA-N 317.864 4.422 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC 3295057 PNMNEERHUMCIOG-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 3346011 WBQFXQNEMVFSTP-UHFFFAOYSA-N 323.270 4.040 0 40 DIAB Cc1ccc2c(CSc3nc4ccccc4[nH]3)cc(=O)oc2c1 3510450 LTMHKDRDJWEAAW-UHFFFAOYSA-N 322.389 4.270 0 40 DIAB Cc1ccccc1NC(=O)Nc1cccc(Br)c1 3958928 SHGTXZSHRLYUIZ-UHFFFAOYSA-N 305.175 4.402 0 40 DIAB CC(=O)OCCCC[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4027087 RTYPTTJEBODVCN-YDZRNGNQSA-N 306.446 4.404 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4081428 WRWBCPJQPDHXTJ-DTMQFJJTSA-N 304.474 4.061 0 40 DIAB biogenic,investigational CC(=O)[C@H](CCN(C)C)c1ccc2c(c1)CCc1ccccc1-2 5883706 FLJOWAJUTGCGMY-IBGZPJMESA-N 307.437 4.077 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 6837290 WTDAFOCUSFFBTN-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB CCc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 7011094 YBPRXMVZCJTWRQ-UHFFFAOYSA-N 320.502 4.275 0 40 DIAB O=C(/C=C/c1nc2ccccc2o1)Nc1cccc2ncccc12 8884187 NCKZDBXNAXBZKM-ZHACJKMWSA-N 315.332 4.028 0 40 DIAB Cc1cc(C)c(NC(=O)CN2CCC[C@H]2c2ccccc2)c(C)c1 10311239 MWSWUAXLZHIFBQ-IBGZPJMESA-N 322.452 4.387 0 40 DIAB O=C(NCCc1cccc(F)c1)Nc1cccc2ccccc12 11006143 AIYDKKULTRSYQO-UHFFFAOYSA-N 308.356 4.343 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 13783169 GCKMFJBGXUYNAG-XGXHKTLJSA-N 302.458 4.269 0 40 DIAB biogenic CCn1c(C)c(C2N3CC4(C)CN2CC(C)(C3)C4)c2ccccc21 19318815 NOISBVYDCDXEAV-UHFFFAOYSA-N 323.484 4.016 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC(C(C)C)C(C)C 20042590 KGRDVNMFIZJSPM-HNNXBMFYSA-N 305.462 4.374 0 40 DIAB COc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1 24987916 GYQKUZVRQXSJKU-UHFFFAOYSA-N 321.376 4.444 0 40 DIAB CSc1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1 25216145 ODHOIAYXAOEMHR-UHFFFAOYSA-N 315.438 4.351 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1F)c1ccccc1OC(F)F 27358963 STMGLWKKQNNKPU-CQSZACIVSA-N 323.314 4.308 0 40 DIAB Cc1ccc([C@H](CNC(=O)CC(C)C)N2CCCCCC2)cc1 27664379 XIASEDNBTGOJFU-IBGZPJMESA-N 316.489 4.074 0 40 DIAB CC(C)CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 27754604 FOFXXXJODCWUMV-UHFFFAOYSA-N 320.820 4.090 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)c3cccnc23)o1 29757820 JOIIONBJZUNANP-UHFFFAOYSA-N 314.772 4.062 0 40 DIAB CCOC(=O)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1 43504361 PCJWSYQVFHKDOX-UHFFFAOYSA-N 310.393 4.397 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccccc1 44844268 FBYFEGOBBLMABP-MSOLQXFVSA-N 315.388 4.251 0 40 DIAB Cc1ccc(CSc2nnc(C)n2-c2cccc(C)c2)cc1 58024210 ITJORGSBBZUVAG-UHFFFAOYSA-N 309.438 4.485 0 40 DIAB COc1cc(CN(C)C(=O)Nc2ccccc2)ccc1SC 58218468 LPHDNANKBJIBCO-UHFFFAOYSA-N 316.426 4.081 0 40 DIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1O 59474400 WMZKNZWQRZSONZ-UHFFFAOYSA-N 319.360 4.224 0 40 DIAB O=C(c1ccc(-n2cccc2)cc1)N1CCCc2ccc(F)cc21 69516362 HOJXTVLCRAYXTR-UHFFFAOYSA-N 320.367 4.209 0 40 DIAB O=C(NC[C@@H](O)C1CCCCC1)c1ccc(-c2ccccc2)cc1 70636666 AIEYWWIUENPJHW-HXUWFJFHSA-N 323.436 4.025 0 40 DIAB O=C(CCCOc1ccccc1)Nc1ccccc1OC(F)F 70675837 ZBUQTMRQVQRHPT-UHFFFAOYSA-N 321.323 4.086 0 40 DIAB Cc1nn(CC(C)C)c(Cl)c1CNC[C@H](C)c1ccccc1 71839156 PAWDDYAJAFNDQC-AWEZNQCLSA-N 319.880 4.394 0 40 DIAB Cc1cc([C@@H](N)c2ccccc2)cnc1NCc1ccccc1 72222340 OXQAZRIHOANUQV-IBGZPJMESA-N 303.409 4.050 0 40 DIAB CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72348585 VGWWENLMHDKCIW-UHFFFAOYSA-N 300.833 4.135 0 40 DIAB O[C@@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951716 ASUIJTQOWIPBJV-GXRSIYKFSA-N 321.464 4.206 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(Br)c1nc3ccccc3nc12 137279445 XAACBLJUIAGXCN-BJOHPYRUSA-N 303.203 4.137 0 40 DIAB CC(C)(C)OC(=O)Nc1cnc2ccc(Br)cc2c1 145337164 LGKPPAHHVVYFQW-UHFFFAOYSA-N 323.190 4.344 0 40 DIAB CCCc1ccc(OCCNC(=S)Nc2ccccc2)cc1 223381225 RVVUEUIUTMUEGI-UHFFFAOYSA-N 314.454 4.005 0 40 DIAB Fc1ccc(NC(=S)NCc2ccccc2Cl)cc1F 225371707 BXVORVRJPKQLAS-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB CCN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409093532 AATOTKSPABWZRZ-NTEUORMPSA-N 317.341 4.142 0 40 DIAB COc1ccccc1CSc1cc(C)nc(-c2ccccn2)n1 524237292 PVPMIKOEWBHIJV-UHFFFAOYSA-N 323.421 4.148 0 40 DIAB CCC(=O)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1 485865 YRQBOLHXJYXWJS-UHFFFAOYSA-N 302.370 4.005 0 40 DIAB biogenic Cc1ccc(Cl)cc1NC(=O)Nc1ccc(N(C)C)cc1 1741526 JMSHJPXHTNTMFK-UHFFFAOYSA-N 303.793 4.358 0 40 DIAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1 3314802 MQERDKUCOUHTGY-UHFFFAOYSA-N 303.361 4.371 0 40 DIAB Cc1ccc(-c2cn3cc(-c4ccc(F)cc4)nc3n2C)cc1 4678558 PQLRTSICFMFWDM-UHFFFAOYSA-N 305.356 4.454 0 40 DIAB CC(C)(C)C1CCC2(CC1)N=C(c1cccc(F)c1)C(=S)N2 4890648 MXXMDNBENQEMML-UHFFFAOYSA-N 318.461 4.478 0 40 DIAB Brc1cnc2nc(SCc3ccccc3)[nH]c2c1 5454527 MOECSMFBXSQKSZ-UHFFFAOYSA-N 320.215 4.013 0 40 DIAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1 5661655 RWHHNDIKQKDYNH-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB CC1(C)S/C(=C\c2ccccc2)c2nc3ccccc3c(=O)n21 5757396 LJAGJOWIAKVJQL-VBKFSLOCSA-N 320.417 4.334 0 40 DIAB Cc1nn(-c2ccccc2)c(Cl)c1CNCc1ccccc1 6650938 KHSZUIKVHOQDPS-UHFFFAOYSA-N 311.816 4.124 0 40 DIAB COc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 9064440 YEFXCOFLFBTLQW-HNNXBMFYSA-N 324.424 4.326 0 40 DIAB CCOc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1 10463950 KLQMOXIKMKCOAB-UHFFFAOYSA-N 323.314 4.034 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1sccc1C 11769938 NWRCNYPVGRBJNP-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB CCc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 12492921 TXOZXEXXLUQTMV-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB CSc1ccccc1C(=O)NCc1cccc(OC(C)C)c1 13632514 GVOQDLFFJBJWEI-UHFFFAOYSA-N 315.438 4.126 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 13668248 YLBGZMLDRLDUEK-CABCVRRESA-N 311.450 4.453 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 19074904 XUIUJNJWSFOVDE-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccccc1F)C3 19234308 IPNHRIRKTBTYDM-UHFFFAOYSA-N 322.339 4.197 0 40 DIAB Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C(=O)O)c1 20554806 CQLFXJJLTURHEW-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB in-vitro Cc1ccccc1NC(=O)c1cccnc1Nc1ccccc1 22072482 WMGYFDQXZNAHOL-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc2nsnc2c1 30948390 WRVCFPSIANLGNV-NSHDSACASA-N 311.410 4.457 0 40 DIAB Fc1ccc2c(c1)N(Cc1ncc(-c3ccccc3)o1)CCC2 40154327 KFNCTOPNCLAFLK-UHFFFAOYSA-N 308.356 4.434 0 40 DIAB C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)c1cccc2ccccc12 44563780 UIZCOZGJYCVXAJ-GFCCVEGCSA-N 315.369 4.054 0 40 DIAB Cc1cc2ncn(CN(Cc3ccc(F)cc3)C3CC3)c2cc1C 57289869 LKIMMJOQKWTBGT-UHFFFAOYSA-N 323.415 4.414 0 40 DIAB COc1ccc2oc(Nc3nc4ccc(C)cc4s3)nc2c1 57352870 OOCDMPYVDCKEQP-UHFFFAOYSA-N 311.366 4.498 0 40 DIAB CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1cccc(C)c1 57477065 ODLIMQGTGYZRGE-UHFFFAOYSA-N 319.408 4.360 0 40 DIAB C[C@@H](CC(=O)N1CCCC[C@@H]1c1nccs1)c1ccccc1 72285905 AZRHEDBYFSMDCY-GOEBONIOSA-N 314.454 4.391 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1C 72333094 DVUVOAKMPNVVAS-ROUUACIJSA-N 322.387 4.180 0 40 DIAB CCC[C@@H]1[C@H](C)CCCN1C(=O)c1oc2c(c1C)C(=O)CCC2 81180430 DKQXCMQWQJLDNT-TZMCWYRMSA-N 317.429 4.148 0 40 DIAB C[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 95965190 UVAUKVWTZQXGJM-LYIQGSDWSA-N 312.240 4.496 0 40 DIAB CC(=O)Nc1c(C(C)(C)C)cc(C(C)(C)C)c(NC=O)c1C 96316033 KWWGRUSFIYACSY-UHFFFAOYSA-N 304.434 4.117 0 40 DIAB CC(C)Oc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 96761865 SMGFDNWZQRYCCL-UHFFFAOYSA-N 311.425 4.225 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113959639 AXHRAZPFOAPVEU-QFBILLFUSA-N 311.425 4.338 0 40 DIAB O=C(c1ccc(Br)cc1C(F)(F)F)C1CCC1 127614505 WMXWLOWFPBFHAE-UHFFFAOYSA-N 307.109 4.451 0 40 DIAB Fc1c(Cl)cc(C(F)(F)F)cc1I 140794843 NAWVVUAXVXAEGT-UHFFFAOYSA-N 324.442 4.103 0 40 DIAB CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(Cl)c1 222864199 CTTFMQJPKSUNNF-UHFFFAOYSA-N 303.789 4.011 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCC1=CCCCC1 222982347 UBSNMDJMOQKGJG-LJQANCHMSA-N 315.457 4.468 0 40 DIAB CC(C)c1ccccc1OCCNC(=S)Nc1ccccc1 223745218 NOBOXZAOYSZDMB-UHFFFAOYSA-N 314.454 4.175 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225468915 FMSURDWUBPYFOQ-NSHDSACASA-N 306.381 4.321 0 40 DIAB CN1CCCCC[C@@H]1Cc1c(C(=O)O)sc2ccccc12 257198188 VNNGQMLMDGLGDY-GFCCVEGCSA-N 303.427 4.016 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1C2=CC[C@]2(C)[C@H]1CC[C@]2(C)O 263612236 XYSMGHMDSVPTRB-NQLKFRBZSA-N 302.458 4.269 0 40 DIAB CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 484281 ADTRHLSWUZXDRI-JTQLQIEISA-N 323.458 4.034 0 40 DIAB CC[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc12 533079 FUJSBTHLHHHCRT-MRXNPFEDSA-N 318.424 4.461 0 40 DIAB Cc1cc(C(=O)c2ccccn2)c2cc(Cl)cc(Cl)c2n1 1706669 BRRRHRZBXRVZIW-UHFFFAOYSA-N 317.175 4.476 0 40 DIAB CCCCC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 1797130 VCNHXHZMJGBXHT-UHFFFAOYSA-N 307.397 4.438 0 40 DIAB COc1ccccc1CNC(=O)c1ccc(-c2ccccc2)cc1 3321902 VQSKMZIGTMILJX-UHFFFAOYSA-N 317.388 4.292 0 40 DIAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(c1ccc(Cl)cc1)N2 4811761 XKRBPEGOFCCSIK-BDJLRTHQSA-N 323.893 4.082 0 40 DIAB S=C(Nc1ccccc1Br)NC1CCCCC1 5799730 GTMJNNPRPIUATP-UHFFFAOYSA-N 313.264 4.068 0 40 DIAB C[C@@H]1CCc2sc3ncnc(-n4cnc5ccccc54)c3c2C1 6235544 AWNPNWOMJIBXMM-LLVKDONJSA-N 320.421 4.155 0 40 DIAB Cc1cc(OC(=O)/C=C/c2ccccc2)cc2oc(=O)cc(C)c12 6645924 TWRDQGQWEWNEFO-CMDGGOBGSA-N 320.344 4.029 0 40 DIAB CC(=O)c1cn([C@H](C)C(=O)Nc2ccc(F)cc2)c2ccccc12 6958068 CVSXASFIOKSOHV-GFCCVEGCSA-N 324.355 4.183 0 40 DIAB CCOc1ccc(NC(=O)Nc2ccccc2OCC)cc1 6963360 PNGMBJHTHCMZSH-UHFFFAOYSA-N 300.358 4.128 0 40 DIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1 7706040 FQFGSVUUGJFGSK-LLVKDONJSA-N 314.385 4.269 0 40 DIAB Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 7918634 UHYPGOZRICPGCC-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 8007145 SGICZDDTQRLOSP-UHFFFAOYSA-N 315.712 4.067 0 40 DIAB COCCNCc1c(OCc2ccccc2)ccc2ccccc12 8469031 ZCAYUFASYAZLIY-UHFFFAOYSA-N 321.420 4.155 0 40 DIAB CCCCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@H](C)[C@@H]1C 9057172 BZTJMQNXRYPGBG-ILRDRHFLSA-N 314.473 4.355 0 40 DIAB CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 12607458 DBDDGSCEBASVIF-HXUWFJFHSA-N 316.404 4.163 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 12674835 YPENNPBZNWFSLJ-KXBFYZLASA-N 308.425 4.063 0 40 DIAB Cc1ccccc1-c1nnc(Nc2ccc(F)c(F)c2F)o1 14165948 RAYNAEHCISPXCA-UHFFFAOYSA-N 305.259 4.206 0 40 DIAB COc1cccc(-c2nn(C)c(-c3cccc(OC)c3)c2C)c1 17031731 OJTRWVVFLOJMKD-UHFFFAOYSA-N 308.381 4.080 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1F 21587313 BUDOOOBVDUCTCR-INIZCTEOSA-N 303.764 4.287 0 40 DIAB Clc1cccc(Nc2nnc(-c3ccncc3)o2)c1Cl 27752970 FGKUTQMCIJJYHO-UHFFFAOYSA-N 307.140 4.182 0 40 DIAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)s1 32037694 LRQQGHWJBSMGHK-ZETCQYMHSA-N 301.745 4.171 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1F 36393419 PGDQRLNFFIHMKQ-STQMWFEESA-N 318.367 4.395 0 40 DIAB CCOc1ccc(-c2nc3sc(C(C)C)nn3c2C)cc1 40963592 NQTYYHJABVNXHP-UHFFFAOYSA-N 301.415 4.288 0 40 DIAB O=C1c2cccc3cccc(c23)N1C[C@H](O)c1ccc(Cl)cc1 45821499 JPRJQNYCDFVFHR-KRWDZBQOSA-N 323.779 4.187 0 40 DIAB Nc1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1Cl 45891575 BBROLXRKBUDKIO-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 47906756 PUKHSQYBHHTOKI-GFCCVEGCSA-N 320.339 4.213 0 40 DIAB CCCCCN1COc2ccc3c(C)c(CC)c(=O)oc3c2C1 57327451 ZTIYLRFOGTWOKN-UHFFFAOYSA-N 315.413 4.006 0 40 DIAB COc1ccc(CCCC(=O)NC2CCCCCCC2)cc1 61110256 RBKDGDUTJRVLRG-UHFFFAOYSA-N 303.446 4.247 0 40 DIAB O=C(OC1CCCCCC1)c1csc(-c2ccccn2)n1 66013737 SIFAKECVPWGWIX-UHFFFAOYSA-N 302.399 4.085 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72211935 WDXUFZKZDFXFLD-SFHVURJKSA-N 324.424 4.236 0 40 DIAB Cc1ccccc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 72369822 LHBXKGCRNQVEMI-GOSISDBHSA-N 319.408 4.035 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc2[nH]ccc2c1 95959225 YPQGMJDRWFPBDU-HUUCEWRRSA-N 321.424 4.154 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)cc1F 113971274 XXWXFJDEXCYTBB-KRWDZBQOSA-N 319.351 4.378 0 40 DIAB O=C1CS[C@H](c2ccccc2)N1c1nc2ccccc2s1 138957169 FVPUXMIHNOBJMF-OAHLLOKOSA-N 312.419 4.075 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1Cl 223099009 ZDRTYEBGKQNRIE-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCCOc1c(C)cc(NC(=O)C2(OCC)CCCC2)cc1C 225707832 SWICPWATUUDYME-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB CC1CCN(c2ccc(-n3cccc3)cc2Br)CC1 226275942 XSUSWPJQOCQBSE-UHFFFAOYSA-N 319.246 4.476 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260624708 UGHPNAXRUVEIHY-CJNGLKHVSA-N 319.445 4.431 0 40 DIAB COc1ccc(CNc2ccc(Br)cc2C)cc1 263375 XFEGGJUMKRKFKG-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COc2ccc(Cl)cc2)C1 473053 UCCJILGZCPQSDC-RDTXWAMCSA-N 321.848 4.146 0 40 DIAB CCC1(C/C=C2/CCCc3cc(OC)ccc32)C(=O)CCC1=O 1845624 OMXFYKCGCDGYNC-KAMYIIQDSA-N 312.409 4.133 0 40 DIAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1CC1 2748991 FZKILGBPQJBIRF-UHFFFAOYSA-N 302.377 4.102 0 40 DIAB CCOC(=O)c1c(C)[nH]c(C(=O)CSC2CCCCC2)c1C 3440914 FJDPMLTWHDFIHG-UHFFFAOYSA-N 323.458 4.057 0 40 DIAB CCCCCc1nnc(NC(=O)c2cc3ccccc3o2)s1 3557730 GLUYWTBYDQQFEQ-UHFFFAOYSA-N 315.398 4.269 0 40 DIAB O=c1oc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 4111112 FKJUVTXLXLHAKH-UHFFFAOYSA-N 303.770 4.059 0 40 DIAB COc1cccc(-c2csc(NC(=O)c3ccccc3C)n2)c1 4425192 LOSLKFXDXXJWHR-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB Cc1nc2cc(NC(=O)CSc3ccccc3)ccc2s1 4496627 PZLYFOVZJKMXAK-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccccc1 4575420 FSMTXZUZJZDKQY-UHFFFAOYSA-N 306.409 4.348 0 40 DIAB CC(C)C[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1 7185609 JSJCFRKXVYARQW-LJQANCHMSA-N 310.441 4.270 0 40 DIAB CC(C)(C)c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)on1 7734888 CYJMNASXRUKOCS-UHFFFAOYSA-N 312.413 4.032 0 40 DIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 9141926 XMAYKRXBWRNYOF-UHFFFAOYSA-N 316.788 4.249 0 40 DIAB Cc1cccc(OCCCNC(=O)Nc2ccccc2Cl)c1 9218100 AAORMXMSRNVZCC-UHFFFAOYSA-N 318.804 4.239 0 40 DIAB Cc1cc(C)c(SCc2nc3ccsc3c(=O)[nH]2)c(C)c1 12771617 BRMQRAJDXBRBOJ-UHFFFAOYSA-N 316.451 4.202 0 40 DIAB O=c1[nH]c(CSc2ccc(F)cc2)nc2cc(Cl)ccc12 12880193 CATOEFDDSNYQGU-UHFFFAOYSA-N 320.776 4.008 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1(C)C 22006551 KMRRSZRBKNWLFC-AEFFLSMTSA-N 310.441 4.065 0 40 DIAB CCCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22878378 MUNVXDGIYZPCMM-ZENHMJIWSA-N 305.421 4.200 0 40 DIAB Fc1cccc(Cl)c1COc1ccc(CNC2CC2)cc1 32202720 ABMFOXFXXCZRJX-UHFFFAOYSA-N 305.780 4.310 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc(F)cc1 32901520 FGYNFNVRXGIYKJ-LJQANCHMSA-N 320.367 4.351 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2cc3ccccc3o2)c1 46663678 DCXIMMFFKVEHSC-UHFFFAOYSA-N 309.365 4.150 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)c1 48202550 ABBBGNHETQNCCE-UHFFFAOYSA-N 319.364 4.138 0 40 DIAB CSc1cccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 51315658 LRBMVIKAJWYFDV-UHFFFAOYSA-N 315.423 4.112 0 40 DIAB C/C(=C\C(=O)NCCc1ccccc1F)CCc1ccccc1 58404556 NOTCLVSAHRBBPI-FOCLMDBBSA-N 311.400 4.064 0 40 DIAB CSc1nc2ccc(NC(=O)NC3CCCC3)cc2s1 62017448 OBMLMBQCLCZMGS-UHFFFAOYSA-N 307.444 4.082 0 40 DIAB Ic1ccc(OC2CCCCC2)cc1 71136763 AYNLKAYCBCEOMJ-UHFFFAOYSA-N 302.155 4.003 0 40 DIAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccccc2)C1 72404277 GUBWZKWNQDXVJR-AWEZNQCLSA-N 309.394 4.117 0 40 DIAB C[C@H](NC(C)(C)CNCc1ccc(F)c(F)c1)c1ccccc1 78725111 UNJWPUXDTAJSNN-AWEZNQCLSA-N 318.411 4.184 0 40 DIAB CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 95933392 KYNSYTYYFQFDCV-INIZCTEOSA-N 324.376 4.202 0 40 DIAB biogenic O=C(OCc1csc(-c2ccco2)n1)c1ccc(Cl)o1 95947428 JZQYHFZYYRULSI-UHFFFAOYSA-N 309.730 4.007 0 40 DIAB Nc1oc(=O)c2ccccc2c1Nc1ccc2ccccc2c1 101425855 NLYXQVROFBYOKI-UHFFFAOYSA-N 302.333 4.272 0 40 DIAB CCc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 102202209 NJLXDTVVDUCJEE-QFBILLFUSA-N 324.449 4.184 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(F)cc1F 113960604 KWFWDYFYNPBQSF-MRXNPFEDSA-N 305.324 4.069 0 40 DIAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(F)cc2)on1 123019619 KQGGOZLDJNUWEM-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB Brc1cc(CSC[C@H]2CCCCO2)cs1 195540190 QGSLQDVICUGGOB-SNVBAGLBSA-N 307.278 4.313 0 40 DIAB Cc1ccc(CCC(=O)NC(C)(C)Cc2ccccc2)cc1C 225110773 WLXGGTGDYFNKBW-UHFFFAOYSA-N 309.453 4.374 0 40 DIAB COc1cc(C)c(C(=O)NCc2ccc(C)cc2)cc1C(C)C 225656924 YMVIZSAHOMZVQG-UHFFFAOYSA-N 311.425 4.365 0 40 DIAB C[C@H]1C[C@H](c2cccnc2)N(Cc2ncccc2C(F)(F)F)C1 252552884 VEDLWDKSIAHWLU-BLLLJJGKSA-N 321.346 4.079 0 40 DIAB NC(=O)/C=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 361634178 CZXSWRIMFKIRAZ-DAXSKMNVSA-N 322.191 4.071 0 40 DIAB O=C(Sc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 408527941 GUBNBHALBHNJJF-UHFFFAOYSA-N 316.769 4.323 0 40 DIAB Cc1cc(NC(=O)CC2(C)CCCC2)ccc1C(=O)NC(C)C 585083763 IBCFICBQYOXSDJ-UHFFFAOYSA-N 316.445 4.042 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2)c1 509012 KRYFKLVCLHBANA-MRXNPFEDSA-N 311.425 4.375 0 40 DIAB CC(=O)c1ccc(OCC(=O)c2ccc3c(c2)CCCC3)cc1 564464 PDMREHNSCHKFFQ-UHFFFAOYSA-N 308.377 4.030 0 40 DIAB COc1c(C)cccc1C(=O)Nc1nc2ccc(F)cc2s1 1267222 HMCXNFYPXIDSLY-UHFFFAOYSA-N 316.357 4.005 0 40 DIAB Cc1ccc(C(=O)Nc2c(C)cc(-c3ccccc3)oc2=O)cc1 1398215 TWUDZLOPXCZNCA-UHFFFAOYSA-N 319.360 4.176 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCCC[C@@H]3C)c2cc1Cl 2358055 IWBGOPQIZMLDEE-LBPRGKRZSA-N 305.805 4.129 0 40 DIAB biogenic CCCCCCOc1ccc(C(=O)CCCCC(=O)O)cc1 2579994 GQEAOKMHCOWRNY-UHFFFAOYSA-N 306.402 4.473 0 40 DIAB O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Oc2ccccc21 3190163 UIDSZOPMTCYTPP-FQEVSTJZSA-N 317.344 4.300 0 40 DIAB CC[C@@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 3350126 ZZKGVJXDCGELQC-SECBINFHSA-N 306.258 4.141 0 40 DIAB O=C(Nc1cccc(Cl)c1)OC[C@@H]1CCCN2CCCC[C@H]12 4028979 SPNRTVCVACNDKC-XJKSGUPXSA-N 322.836 4.153 0 40 DIAB biogenic CCOc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1 5687609 LWHGTLQICOZWGQ-UHFFFAOYSA-N 320.392 4.289 0 40 DIAB CC(C)(C)c1ccc(COC(=O)c2n[nH]c3ccccc23)cc1 6313552 SIUBQARKLMTILK-UHFFFAOYSA-N 308.381 4.217 0 40 DIAB COc1cc(C(=O)Oc2ccc3ccccc3c2)cc(OC)c1C 6604060 BAPRXDOKZFYOJE-UHFFFAOYSA-N 322.360 4.385 0 40 DIAB Cc1ccnc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 9378808 YRJBPBKEVXSXEJ-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1 9479400 RTHYHTINBXCJLB-UHFFFAOYSA-N 313.382 4.174 0 40 DIAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1ccco1)C2 9969151 FLNINWLLUMHYDV-CYBMUJFWSA-N 319.364 4.034 0 40 DIAB CCc1ccc(CC(=O)Nc2cccc(Br)c2)cc1 10812392 FIHOHTXACZVYCT-UHFFFAOYSA-N 318.214 4.193 0 40 DIAB O=C(Cc1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 12995203 RQLBUPMMHYXLJO-ZDUSSCGKSA-N 323.870 4.297 0 40 DIAB FC(F)(F)c1ccc2c(Cl)ncc(Br)c2n1 15442498 VMXJJEPJVHNBJF-UHFFFAOYSA-N 311.488 4.065 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(N)c1 19736499 KCOBPZBRFFEHPR-MRXNPFEDSA-N 318.804 4.027 0 40 DIAB Cc1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 20014200 HCCSTGDRVITEHN-UHFFFAOYSA-N 305.830 4.171 0 40 DIAB O=C(NC1CCCCCCC1)c1csc(-c2ccco2)n1 29518858 JZUSLBYXLIDMSK-UHFFFAOYSA-N 304.415 4.246 0 40 DIAB CCOC[C@H]1c2ccccc2CCN1Cc1c[nH]c2ccccc12 31669937 YQTCYADVPQXATE-NRFANRHFSA-N 320.436 4.304 0 40 DIAB Clc1ccc2c(c1)C(=C1CCNCC1)c1ncccc1CC2 38420468 XGJJLWDKUCVCNM-UHFFFAOYSA-N 310.828 4.019 0 40 DIAB in-vitro COC(=O)/C=C/c1ccc(-c2ccc(C)cc2Br)o1 57353773 KQVTVLAWPCORDR-VMPITWQZSA-N 321.170 4.204 0 40 DIAB Cc1cc(C)cc(OCCSc2nncc3ccccc23)c1 58010172 XLFPVAKUQPDUPS-UHFFFAOYSA-N 310.422 4.418 0 40 DIAB CCOc1ccc(NCc2ccc(O)c(Br)c2)cc1 58402227 YNOCNKJOPKKYFV-UHFFFAOYSA-N 322.202 4.166 0 40 DIAB Cc1cc(COc2ccc(-c3nnco3)cc2)c2ccccc2n1 69846137 LXZYDNZTQWRYKA-UHFFFAOYSA-N 317.348 4.172 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2)cnc1OCc1ccccc1 72222388 UIWKRKSPGRSBDU-IBGZPJMESA-N 305.377 4.051 0 40 DIAB CC(C)c1nc(CS[C@H](C)c2ncc(C(C)(C)C)o2)no1 85228597 WOIVFXXZXMGSRN-SNVBAGLBSA-N 309.435 4.473 0 40 DIAB Cc1ccc(CN2CCC3(CC2)CCN(CC2CC2)CC3)cc1 96047266 KLJMAYCYYRECSE-UHFFFAOYSA-N 312.501 4.083 0 40 DIAB Cc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2F)c1 224520821 BFEJYWSVGKELEX-UHFFFAOYSA-N 319.807 4.079 0 40 DIAB Cc1cccc(NC(=O)COc2cccc3c2CCCC3)c1C 224646231 CFYUCDJEBFBJLW-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 225077530 XZGQPJJLEFBHDU-ZDUSSCGKSA-N 319.807 4.159 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1 225313988 SXCWUTOHIRAAJR-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225620582 LWTQHYWRQHGIIY-SFHVURJKSA-N 307.434 4.236 0 40 DIAB Nc1ccc(-c2nc3ccccc3s2)cc1Br 21489 PZNQWLHSPUPLEL-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)Nc3cccnc3Cl)cc12 205135 FIXUWJVIGGWBRE-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB CC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267993 MADSTIMKHBTMDS-IFXJQAMLSA-N 323.392 4.038 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 282049 BKXKLYYNVPWYHJ-JTQLQIEISA-N 316.228 4.210 0 40 DIAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(Cl)c23)CO1 521535 CRJRZKFOXLSJOQ-ZDUSSCGKSA-N 314.863 4.308 0 40 DIAB COc1ccc(N[C@H](c2ccccc2)P(=O)(OC)OC)cc1 2311422 RFFJWFUHZSACJP-INIZCTEOSA-N 321.313 4.292 0 40 DIAB CC[C@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCC2 2442253 WMAJCZDQNGXZKD-ZDUSSCGKSA-N 320.440 4.404 0 40 DIAB COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 2639917 SJJHLSHNFYZFLU-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB aggregator CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccco3)=NN12 5577285 ITDQTULRCVVUHP-BBRMVZONSA-N 302.761 4.213 0 40 DIAB Cc1cccc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 6504271 MKQYRGOQBKLQQP-UHFFFAOYSA-N 314.694 4.315 0 40 DIAB Cc1cc(CNCC2CCCCC2)c(C)n1-c1nccs1 6650956 HPNRYXVSVNSMBP-UHFFFAOYSA-N 303.475 4.221 0 40 DIAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)s1 6820423 CKAFOAIHPBJDOX-UHFFFAOYSA-N 323.826 4.356 0 40 DIAB O=C(O)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 7604011 BCTHXXAITHJTLW-UHFFFAOYSA-N 315.127 4.410 0 40 DIAB Cc1cc2nc(N[C@@H](C)c3ccccc3)c3ccccc3n2n1 7778724 CDTRCQAWDLDIBE-AWEZNQCLSA-N 302.381 4.364 0 40 DIAB CCCCCCNC(=O)Cc1csc(-c2ccccc2)n1 7995629 DEUVDNIHFFZTIT-UHFFFAOYSA-N 302.443 4.049 0 40 DIAB CCOc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1 9691029 DQMUAIIVHLFSOP-UHFFFAOYSA-N 316.382 4.157 0 40 DIAB C[C@H]1C[C@H]2c3cccc(C(=O)O)c3C(=O)N2[C@@H](C)c2ccccc21 12661682 KOXAUIJMWHCIOC-PRXAMGSTSA-N 321.376 4.150 0 40 DIAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)C)o2)cc1 12756639 BTASIOSEZFYVQW-UHFFFAOYSA-N 320.392 4.455 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccco2)no1 12999351 YBTLAJYCLSGIQJ-GFCCVEGCSA-N 323.352 4.269 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 13676331 IFQZOLRBVVPROH-UHFFFAOYSA-N 313.416 4.486 0 40 DIAB COc1ccccc1[C@@H](C)NCC(=O)c1c(C)[nH]c2ccccc12 14241368 JMCAYKHMGNWNNA-CYBMUJFWSA-N 322.408 4.018 0 40 DIAB COc1c(C(=O)C[C@@H](OC)c2ccccc2)ccc2occc12 14618819 AADNEQWIZKTMBL-GOSISDBHSA-N 310.349 4.402 0 40 DIAB biogenic,in-vitro Cc1ccc(C(=O)NCc2nc(-c3ccccc3)cs2)cc1 16741692 FMEKKAUVYHQTKW-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1OC 20483998 IFAJOKAWOXOJMQ-MRXNPFEDSA-N 313.397 4.108 0 40 DIAB C[C@H](CNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 21905857 QLOZQNLBCKCTPQ-MRXNPFEDSA-N 303.405 4.302 0 40 DIAB Cc1ccc2c(COc3ccc(F)cc3F)cc(=O)oc2c1C 24048271 NWOSPNJCJCKMCC-UHFFFAOYSA-N 316.303 4.267 0 40 DIAB CCc1ccc(NC(=O)c2ccc(CN3CCCCC3)o2)cc1 28230696 IYENETIQOXFDMN-UHFFFAOYSA-N 312.413 4.080 0 40 DIAB Clc1c2c(nc3ccccc13)CN(Cc1ccccc1)CC2 34423474 RVKSRNSODSVYKZ-UHFFFAOYSA-N 308.812 4.447 0 40 DIAB COc1cccc(CCc2cccc3ccccc23)c1C(=O)O 35973526 RRYWAHGJHFFHGD-UHFFFAOYSA-N 306.361 4.332 0 40 DIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccccc1 36562748 MIXODYIDDGTTOR-RBUKOAKNSA-N 311.425 4.420 0 40 DIAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cccnc1 38151023 BROIOQNTPQBBCA-INIZCTEOSA-N 320.329 4.458 0 40 DIAB Clc1cc(Cl)c(OCC[C@@H]2CCCNC2)cc1Cl 42772317 HSKSSGATUILFKU-VIFPVBQESA-N 308.636 4.415 0 40 DIAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1Br 43210026 CGRPWIDVINYOID-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB O=C(CCC1CCCC1)Nc1nc(CN2CCCCC2)cs1 48324084 QZOHUCBTWMMNGZ-UHFFFAOYSA-N 321.490 4.038 0 40 DIAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 48388263 MECBNRSASLUZPL-QMMMGPOBSA-N 314.172 4.173 0 40 DIAB CCCCn1c(SCc2cn3ccccc3n2)nc(C)c1C 71834663 SJNPGRVQVDUKTJ-UHFFFAOYSA-N 314.458 4.240 0 40 DIAB CC(C)Oc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72211995 SAQAMGYGUWGPRM-SFHVURJKSA-N 324.424 4.236 0 40 DIAB CCSc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72217118 IMAXYVCPQSHFMO-ZDUSSCGKSA-N 308.447 4.266 0 40 DIAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(Cc1cccs1)C3 72396335 VCTQZKWYRSWIHO-UHFFFAOYSA-N 324.405 4.428 0 40 DIAB FC(F)Oc1ccccc1-c1noc(-c2ccnc(Cl)c2)n1 89262846 BYZSXAAFPYFFOC-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB COc1ccc(CCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F)cc1 89621481 YBSIABPFYKWDKK-AWEZNQCLSA-N 318.335 4.148 0 40 DIAB c1ccc(N2CC[C@H](CNc3ccc4ccccc4n3)C2)cc1 95951793 ABNFNNSWROMBOC-MRXNPFEDSA-N 303.409 4.173 0 40 DIAB C[C@H](NC(=S)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102595576 BTLFZBTVLJYAIR-AUOOEQCUSA-N 302.487 4.036 0 40 DIAB O=C(Cc1ccsc1)N1CCS[C@@H](c2cccs2)CC1 219517547 NXZNHFCNIXYGKU-CQSZACIVSA-N 323.508 4.059 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 224894534 IPKYIKNSFWUPGA-UHFFFAOYSA-N 323.314 4.383 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225074363 DSCGADIQDLSCFT-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Cc1cc(NC(=O)C(F)(F)F)ccc1OCc1ccccc1 225588566 IZFRZNAHRCPIMT-UHFFFAOYSA-N 309.287 4.075 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1 225869090 CLHJWICCQQBEIP-FQEVSTJZSA-N 323.436 4.039 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@@H](C)CCC[C@H]3C)o2)c(N)c1 226304785 PQTQHGKFGZVVNU-OKILXGFUSA-N 312.413 4.240 0 40 DIAB CC(C)C[C@@H](N)C1(c2ccc(Br)cc2F)CCC1 1772715042 UDYPLXHQPLKHBY-CQSZACIVSA-N 314.242 4.383 0 40 DIAB C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)O)ccc2O1 2037872568 FVPRFXIMIANBST-QGZVFWFLSA-N 320.747 4.114 0 40 DIAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccco1 162508 UGUFOORZJBCFDD-VQTJNVASSA-N 320.344 4.181 0 40 DIAB COc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C 235639 AOSSPNVRJMKJNR-FQEVSTJZSA-N 307.393 4.225 0 40 DIAB Cc1nc(N2CCC(C)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1465796 PVGYHDJWLLZJJH-GFCCVEGCSA-N 315.486 4.361 0 40 DIAB CCCCCOc1ccc2c(C)cc(=O)oc2c1C(=O)CC 2139715 BKEZBCOYTHXPHD-UHFFFAOYSA-N 302.370 4.263 0 40 DIAB biogenic O=C(c1ccccc1)N1[C@H]2CCCC[C@@H]2S[C@H]2CCCC[C@H]21 2265703 OVVFTWHENPMSBS-MHORFTMASA-N 315.482 4.498 0 40 DIAB CC[C@H](OC[C@H](O)CN(CC)C1CCCCC1)c1ccccc1 2694631 DWZLRCJCECLENB-UXHICEINSA-N 319.489 4.170 0 40 DIAB NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 3905413 XALTUCOIORLBHQ-WHHUABKHSA-N 318.420 4.082 0 40 DIAB C[C@H](NC1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 5254753 ZNSMSWDLNQNJIQ-OXJNMPFZSA-N 323.436 4.274 0 40 DIAB CC1=C2C(=C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)CCC[C@@]35C)O[C@H]24)OC1=O 5766691 OYXDHOVYZKWSRM-PHJMNMFVSA-N 314.425 4.137 0 40 DIAB biogenic C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6030248 QAAQQTDJEXMIMF-YZXCLFAISA-N 318.501 4.307 0 40 DIAB biogenic,in-vitro Cc1ccc2cccc(OC(=O)/C=C/c3ccc(F)cc3)c2n1 6123323 HMUATDBIDFUYEB-XYOKQWHBSA-N 307.324 4.301 0 40 DIAB Cc1ccc([C@@](O)(CNC2CCCCC2)c2ccccc2)cc1 6522711 JKLAJIMTXFALCO-OAQYLSRUSA-N 309.453 4.153 0 40 DIAB Cc1nc2cc(NC(=O)C3CCC3)ccc2n1-c1ccccc1 7594925 YLUNMZVHSHSWOU-UHFFFAOYSA-N 305.381 4.073 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(SC)cc1 7886497 SYPICQCVJPBGDY-KRWDZBQOSA-N 312.438 4.385 0 40 DIAB c1ccc(CCN2CCC(c3nc4ccccc4s3)CC2)nc1 8165372 YWYYDCPFTAZLRK-UHFFFAOYSA-N 323.465 4.113 0 40 DIAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 8168505 KEDKNIJREPGZLT-LBPRGKRZSA-N 322.235 4.456 0 40 DIAB CCCc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 8715051 LGLNILLBHPXFAY-UHFFFAOYSA-N 320.421 4.472 0 40 DIAB CCc1ccccc1NC(=O)c1nc(-c2ccccc2)oc1C 8776503 AMTZDHFRRSGGHT-UHFFFAOYSA-N 306.365 4.465 0 40 DIAB CCC[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 9516831 BPOLBYLBIPESAE-KDOFPFPSSA-N 314.404 4.284 0 40 DIAB CN(C(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 12795276 IORFJGUPRYEXTJ-UHFFFAOYSA-N 302.377 4.389 0 40 DIAB Cc1cc(NC(=O)c2cc(Cl)sc2Cl)n(C(C)C)n1 13656920 PFUKYPUIVNFBMN-UHFFFAOYSA-N 318.229 4.393 0 40 DIAB C[C@@H](Oc1ccccc1Cl)C(=O)NC1CCCCCCC1 13710040 JCZUHIKMSZTTLO-CYBMUJFWSA-N 309.837 4.336 0 40 DIAB O=C(Cc1ccc(Cl)cc1)N1CCCSc2ccccc21 14245616 XNKSIEHVWRWXCU-UHFFFAOYSA-N 317.841 4.412 0 40 DIAB O=C(COc1ccccc1F)Nc1cc(Cl)cc(Cl)c1 14737833 HMHSXHWSNDIJQW-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB Cc1ccc2oc(-c3cc(NC(=O)CC(C)C)ccc3O)nc2c1 15833164 MKIDDONMPKEKCV-UHFFFAOYSA-N 324.380 4.493 0 40 DIAB COc1cc(CNc2ccccc2C)cc(Br)c1O 19964924 QBHZCPGCXMMTEB-UHFFFAOYSA-N 322.202 4.084 0 40 DIAB Cc1cc2oc(=O)cc(COc3ccc(F)cc3F)c2cc1C 24048280 NWHSONQYWYQEDM-UHFFFAOYSA-N 316.303 4.267 0 40 DIAB Cc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)o1 27223054 QBNBAAPIRFCEOR-IBGZPJMESA-N 321.424 4.000 0 40 DIAB Cc1ccccc1Cn1cc(NC(=O)CCC2CCCC2)cn1 27920280 MCUSQULBAHITAK-UHFFFAOYSA-N 311.429 4.149 0 40 DIAB CCCCC[C@H](O)[C@@H](O)CCCCCCCCCCC(=O)O 33820346 PEUSBAXOWSDDBR-IRXDYDNUSA-N 316.482 4.274 0 40 DIAB Cc1nc(N(Cc2ccccc2)Cc2ccccc2)ccc1N 36250992 MMWPIWNLFXCWIJ-UHFFFAOYSA-N 303.409 4.179 0 40 DIAB COC(=O)c1ccc(Cl)c(N[C@@H](C)CCc2ccco2)c1 37047990 RCOVCONQRHKOQY-NSHDSACASA-N 307.777 4.153 0 40 DIAB Cc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21 39273344 VROFHBLUNQTYBC-UHFFFAOYSA-N 300.814 4.239 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2C)c(Cl)c1 44901854 PYTQUOGJPICSEI-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 62170301 MPDDUBKISXGAQK-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB CCc1noc([C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)n1 69417367 BNVCFCIMIAMVRZ-BDAKNGLRSA-N 314.216 4.351 0 40 DIAB COCc1ccccc1NC(=O)Nc1ccc(SC)cc1 72282521 JMYKMFCMMXBKAB-UHFFFAOYSA-N 302.399 4.199 0 40 DIAB CCO[C@H](C)c1noc(CS[C@@H](C)c2ccccc2F)n1 78164171 XTSAOYGCDFBZOT-MNOVXSKESA-N 310.394 4.301 0 40 DIAB CC(C)Oc1ccccc1C[S@@](=O)Cc1ccc(F)cc1 78556230 VMYLDQBKCICNTO-OAQYLSRUSA-N 306.402 4.062 0 40 DIAB CCn1c([C@@H]2CCCN2CCC(F)(F)F)nc2ccccc21 84131106 VJJZFBMILURQSH-AWEZNQCLSA-N 311.351 4.146 0 40 DIAB Cc1nc([C@H](C)NCc2ccc(OCC(C)C)cc2)cs1 84272054 LBIZULBQUVGLNG-ZDUSSCGKSA-N 304.459 4.337 0 40 DIAB CCC1CCC(N(Cc2noc(C(C)(C)C)n2)C2CC2)CC1 95356576 UTQKJILWFCHDAL-UHFFFAOYSA-N 305.466 4.300 0 40 DIAB Cc1c(C)n(Cc2ccco2)c2ncn(C3CCCCC3)c(=N)c12 101409359 DQCZLNVBFZBVBL-UHFFFAOYSA-N 324.428 4.081 0 40 DIAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@H]1C[C@H]2C=C[C@H]1C2 102844393 LZXCSEUQQPYNGO-KPHUOKFYSA-N 301.389 4.409 0 40 DIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H](c2ccc(F)cc2)C1 206874251 ZCNLMBGFHUJJGS-PCODUJHASA-N 313.416 4.134 0 40 DIAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222966258 KCUSIPYPSPJISC-INIZCTEOSA-N 307.437 4.294 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@@H](C)C2)c1 224378554 KBBKUPCOVGEDRI-HZPDHXFCSA-N 303.446 4.144 0 40 DIAB CCOc1ccc(C(=O)NCCSC(C)(C)C)cc1Cl 225485244 DPVABXHKKZHJLH-UHFFFAOYSA-N 315.866 4.000 0 40 DIAB Cc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 226308297 LFLHNWHUQANNCU-UHFFFAOYSA-N 319.359 4.278 0 40 DIAB CCc1cc(N)cc(Br)c1N1[C@@H](C)CCC[C@H]1C 226315421 AUICPRMIIDMIOS-PHIMTYICSA-N 311.267 4.361 0 40 DIAB CC[C@@H](C)n1ncc(NC(=O)N[C@@H](C)c2ccccc2)c1C 362323711 ZHKGLCFGPKPTRR-OLZOCXBDSA-N 300.406 4.045 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3cccs3)nn2)cc1C 408528900 LZTUBFNIXAWPMR-UHFFFAOYSA-N 310.378 4.041 0 40 DIAB Cc1cc(C)cc(OC(=O)c2ccccc2Br)c1 129725 KOTWQNAVUIRSOR-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB CSC(C)(C)c1ccc(S(=O)(=O)c2ccccc2)cc1 401996 IRWKZQQIJIGWFM-UHFFFAOYSA-N 306.452 4.118 0 40 DIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)ccc2C)c1 505947 WRJLSHKHZHBQAK-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB O=C(C[C@H](Cc1ccccc1)c1ccco1)NC1CCCCC1 521567 WHIGIKAAMNRNEB-KRWDZBQOSA-N 311.425 4.445 0 40 DIAB COc1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1 818065 PVCXBLNOIDKVTR-FQEVSTJZSA-N 319.408 4.456 0 40 DIAB CCCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 1713629 UDSAQBHGHLEDPY-YSIASYRMSA-N 322.404 4.096 0 40 DIAB O=C(Cc1ccccc1)N(C(=O)c1ccccc1)c1ccccc1 1723157 AHPSDILLHQHILD-UHFFFAOYSA-N 315.372 4.103 0 40 DIAB CCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 2721543 LYBDHXGJYGAJDK-UHFFFAOYSA-N 315.461 4.075 0 40 DIAB O=C(NCc1cccs1)Nc1ccc(Cl)c(Cl)c1 3124040 WGHGGEXKZDXNFR-UHFFFAOYSA-N 301.198 4.377 0 40 DIAB CC(C)c1cccc(C(C)C)c1OCCNC[C@@H]1CCCO1 3247037 IIHNAEJGWJXMQS-INIZCTEOSA-N 305.462 4.081 0 40 DIAB O=C(Cc1cccc(F)c1)NC(c1ccccc1)c1ccccc1 3403597 ANESVFWASUACDO-UHFFFAOYSA-N 319.379 4.274 0 40 DIAB CCCCc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1 3412000 KBNFNATUHNGDES-UHFFFAOYSA-N 324.424 4.282 0 40 DIAB O=C(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1 3562300 SPZBPBVALCMWIT-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cc1cc(C)c(NC(=O)CC(=O)c2ccccc2)c(Cl)c1 3887923 COOIFIYJPGQGRS-UHFFFAOYSA-N 301.773 4.168 0 40 DIAB Cc1ccc2oc(C(=O)Nc3nnc(C(C)C)s3)c(C)c2c1 4185897 HWEISNZYUTXFFH-UHFFFAOYSA-N 315.398 4.277 0 40 DIAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc2nsnc2c1 4753783 JFUOTYAYEFHDJV-UHFFFAOYSA-N 324.192 4.250 0 40 DIAB O=C1c2ccccc2CC[C@]1(Br)Cc1ccccc1 5105012 OHENYCLAYATUCX-KRWDZBQOSA-N 315.210 4.192 0 40 DIAB C[C@H](NC(=O)COc1ccccc1)c1ccc2ccccc2c1 6151863 RCQCHUILJNCKKG-HNNXBMFYSA-N 305.377 4.096 0 40 DIAB COc1ccc(OCCn2c(C)nc3cc(C)c(C)cc32)cc1 6767822 MSGQRQLQAVCXPZ-UHFFFAOYSA-N 310.397 4.049 0 40 DIAB COc1ccccc1CC(=O)Nc1c(C)cc(C)cc1Cl 7803508 QFXIESKTFWSVNT-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)NCCc1ccc(Cl)cc1 9516560 ZVVYCOJQGJEFIU-AWEZNQCLSA-N 316.832 4.251 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccccc1 10110167 COQDXOKHXZVEMW-MRXNPFEDSA-N 313.466 4.057 0 40 DIAB CCn1c(NC(=O)/C=C/c2ccccc2C)nc2ccccc21 10543601 DYVNZLVFJVFQBQ-OUKQBFOZSA-N 305.381 4.017 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 12764722 ZXXCICHQWKSVCS-UHFFFAOYSA-N 315.442 4.455 0 40 DIAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc2ccccc2c1 12907312 QXAMPAWSWONBAO-OAHLLOKOSA-N 304.393 4.400 0 40 DIAB CC(C)(C)NC(=S)Nc1ccc(Br)cc1Cl 13820538 ZBRNCURIMAWFNN-UHFFFAOYSA-N 321.671 4.187 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3cccc(C)c3)n2)o1 14184657 ZIEHJZIFOITSKY-UHFFFAOYSA-N 312.394 4.015 0 40 DIAB COc1cccc2cc(C(=O)NCc3ccccc3Cl)oc12 19887878 FQYHVJYJEVRHIF-UHFFFAOYSA-N 315.756 4.025 0 40 DIAB COc1ccc(-c2nc(Cl)nn2-c2ccc(Cl)cc2)cc1 22125735 FOIROKYQJBTZNH-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB CCCCc1nnc(NC(=O)c2cc(CC)c(C)s2)s1 23360375 AICWQFPNIUEHHF-UHFFFAOYSA-N 309.460 4.065 0 40 DIAB Fc1cc2ncn(Cc3cc(-c4cccs4)on3)c2cc1F 24427265 ZLQBVPPCRQJLBT-UHFFFAOYSA-N 317.320 4.079 0 40 DIAB COc1cc2c(cc1CN[C@H]1CCCc3ccccc31)O[C@@H](C)C2 25259865 KOQNBDLESMLTMX-LIRRHRJNSA-N 323.436 4.186 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCc4ccccc43)s2)o1 31273576 CFBXAUUMXSVUIF-UHFFFAOYSA-N 324.405 4.223 0 40 DIAB Fc1cccc(Cl)c1CNc1ccccc1-n1cccn1 37024769 XFTOCQSOBQYVJM-UHFFFAOYSA-N 301.752 4.277 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1ccc[nH]1 48367306 QPXVXVXEHVHMBF-AWEZNQCLSA-N 309.196 4.299 0 40 DIAB O=C(/C=C/c1ccccn1)N[C@H](c1ccc(F)cc1)C1CCCC1 55392496 WUUDNQIILMDVFE-SJFMBGHLSA-N 324.399 4.282 0 40 DIAB O=C(Nc1ccccc1Cl)[C@@H](c1ccccc1)n1cccc1 56907448 ZELBWKQCKWGLCQ-QGZVFWFLSA-N 310.784 4.370 0 40 DIAB C[C@]12CCCC(=O)[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 68677141 XCTUOBOQUJSQJX-MHTWAQMVSA-N 305.421 4.448 0 40 DIAB CCC1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 78884848 OOWZKVOCMCLULQ-NWINJMCUSA-N 305.384 4.440 0 40 DIAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 84651751 GOOFIQYVTAQVSG-KKXDTOCCSA-N 309.409 4.139 0 40 DIAB Cc1ccc([C@@H](C)NCc2cccc(NC(=O)C3CCC3)c2)o1 89652444 IKYHMYLBWYQEOA-CQSZACIVSA-N 312.413 4.177 0 40 DIAB C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl 95968154 XPUULFNWWCDUDS-WOPDTQHZSA-N 313.272 4.269 0 40 DIAB CCO[C@@H]1C[C@H](N[C@@H](c2ccc(F)cn2)C(C)C)C12CCCC2 95996351 NIKGFOWOLQIATJ-RCCFBDPRSA-N 320.452 4.245 0 40 DIAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cscn1 96482941 KCQDURWVLHCXKJ-UHFFFAOYSA-N 319.430 4.411 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1ncnc3ccccc13)C2=O 100928254 XRMHCDORAISTQA-CDHAZOANSA-N 312.438 4.116 0 40 DIAB C/C1=C\CC[C@@H]2[C@H](/C=C(\C)CC1)OC(=O)[C@H]2CN1CCCCC1 102807414 BYFVAWVWHDPHGP-YURVAFSFSA-N 317.473 4.097 0 40 DIAB CC1=CC(C)(C)Nc2c(F)cc(I)cc21 199808753 SXFKIVQRNCHXFH-UHFFFAOYSA-N 317.145 4.038 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)c1ccccc1 224619358 RNYGTSZCGJGVTA-APWZRJJASA-N 311.425 4.072 0 40 DIAB Cc1cc(NC(=O)c2ccccc2Cl)cc2sc(N)nc12 226310500 ZETVAJKXUKYZFD-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB CO[C@H](CNC(=O)Nc1ccccc1C)c1cc2ccccc2o1 244975011 HXHXUTJGTOLFPD-GOSISDBHSA-N 324.380 4.250 0 40 DIAB COc1ccc(OCCCOc2ccc(Cl)cc2)cc1OC 525180375 DCNNEIVWJHDMHW-UHFFFAOYSA-N 322.788 4.205 0 40 DIAB O=C(Nc1ccccc1Cl)c1ccc(Br)cc1 54776 POLYOPMEIHDCAT-UHFFFAOYSA-N 310.578 4.355 0 40 DIAB Cc1ccc2cc([C@H]3NC(=O)c4ccccc4N3)c(Cl)nc2c1 421617 FWUVGWJMHYUISN-QGZVFWFLSA-N 323.783 4.051 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 516087 QFSPPHNFTKLZCR-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB CCN(CC)CCCCCCNc1cc(O)cc2cccnc12 1599089 WEMFASDTBHZGPV-UHFFFAOYSA-N 315.461 4.255 0 40 DIAB CSc1ccccc1C(=O)c1ccc(CN2CCCC2)cc1 2514557 ABWADQZUAXNBDD-UHFFFAOYSA-N 311.450 4.235 0 40 DIAB Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c1 3065164 FVPBWFSOOKRDNO-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)c1 3565853 ODIJLJLBHZRGDP-VMPITWQZSA-N 305.736 4.140 0 40 DIAB COc1ccc([C@]2(C)OC(=O)c3ccccc32)c2ccccc12 5064986 RHJORMNNSJVMRP-HXUWFJFHSA-N 304.345 4.282 0 40 DIAB CCn1cc(NC(=O)NCCCc2ccccc2)c2ccccc21 5266078 OJBZVHJZSDWQEE-UHFFFAOYSA-N 321.424 4.416 0 40 DIAB CCCCc1nnc2c3ccccc3c(-c3ccccc3)nn12 5267504 KMZBCLDPNLIUIT-UHFFFAOYSA-N 302.381 4.287 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1 5509978 WUJVVAGKONCGSP-ZDUSSCGKSA-N 313.397 4.470 0 40 DIAB COc1ccc(C(=O)C2=C[C@@H]3Cc4ccccc4[C@@H]3C=C2)cc1 5744416 FCOIQWUHJQIHKB-FXAWDEMLSA-N 302.373 4.330 0 40 DIAB Clc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1 6321961 UZDYDLXXMIVUMU-UHFFFAOYSA-N 304.180 4.223 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)n1nnc2ccccc21 6342652 QKTJXUUTUGTQIQ-SOFGYWHQSA-N 318.163 4.092 0 40 DIAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc12 7043155 QJKKSFDPFVMOBS-XOBRGWDASA-N 318.420 4.406 0 40 DIAB O=C(NCCSCc1ccccc1)c1cc2ccccc2o1 7642739 AUZJUCBPEFHRBE-UHFFFAOYSA-N 311.406 4.096 0 40 DIAB Fc1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 7781118 FROAXXJEFPJANF-UHFFFAOYSA-N 319.133 4.305 0 40 DIAB CSc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 7814309 IZAGUXIIWSKARZ-AWEZNQCLSA-N 315.463 4.375 0 40 DIAB CSc1ccc(CN(C)C(=O)c2cccc3cccnc23)cc1 8072696 FQQKTLURBUMFIO-UHFFFAOYSA-N 322.433 4.229 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(C)c1)c1ccc(OC)cc1 8085554 MKHXFPDTFFCKIS-KRWDZBQOSA-N 314.454 4.441 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OC 8289360 HUKKAGBVVAHXCJ-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CC(C)(C)C(=O)COC(=O)c1ccccc1Nc1ccccc1 12515694 DLHXXPJHXGSMQS-UHFFFAOYSA-N 311.381 4.202 0 40 DIAB CCCn1c(NC(=O)/C=C/c2ccc(F)cc2)nc2ccccc21 12564854 MOIRTRSTNTTWTK-FMIVXFBMSA-N 323.371 4.237 0 40 DIAB O=C(Nc1ccc([C@@H]2CC=NO2)cc1)c1ccccc1Cl 12854874 KVZQKNFOOZGTIR-HNNXBMFYSA-N 300.745 4.040 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc2ccccc2[nH]1 18134037 RSVLFPBEBPPFEK-OAHLLOKOSA-N 308.406 4.135 0 40 DIAB CC[C@H](C)c1ccc([C@H](NC(=O)c2cnccn2)C(C)C)cc1 19296035 PHKSJOIMCHLTBY-KBXCAEBGSA-N 311.429 4.117 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2Cl)c1 20001492 HOASQVRBZNVKKI-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB O=C(Nc1cncc(-c2nc3ccccc3o2)c1)c1ccccc1 20100696 PTVKIPBSHBFCNU-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 20110683 PKNJUTYROOZEEW-NSHDSACASA-N 321.779 4.448 0 40 DIAB O=C1C[C@H](c2cccc(Cl)c2)Cc2c1cnn2-c1ccccc1 20632680 VKBGAJXTNZGBEA-CQSZACIVSA-N 322.795 4.438 0 40 DIAB COc1cc(CN[C@H](C)c2ccccc2Cl)cc(OC)c1 21805807 PNTUBSGNYJMLHX-GFCCVEGCSA-N 305.805 4.208 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)N1CCCCCC1 32193276 TXXTXMHMWVYUFF-UHFFFAOYSA-N 300.427 4.135 0 40 DIAB Cc1noc(C)c1CNc1ccccc1NC(=O)c1ccccc1 36843399 KYTPWFXPJVSLOD-UHFFFAOYSA-N 321.380 4.156 0 40 DIAB O=C(c1ccccc1Br)c1c[nH]c2ccccc12 36943698 NSAOGDPZSSLCRS-UHFFFAOYSA-N 300.155 4.161 0 40 DIAB O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CC=CCC1 48324992 IJFOFKXFABVNNA-OAHLLOKOSA-N 301.405 4.110 0 40 DIAB Cc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1C 49467813 ITVGQKHJUAJSMF-UHFFFAOYSA-N 308.360 4.225 0 40 DIAB Fc1ccc(-c2nc(CN3CCC[C@H]3c3ccc[nH]3)co2)cc1 58046511 NDBSVUOAQKGTIY-KRWDZBQOSA-N 311.360 4.146 0 40 DIAB CCCCN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219285 KRQCJIKMNSACPN-GOSISDBHSA-N 301.478 4.317 0 40 DIAB O=C(CCC1CC1)N1CCc2sccc2[C@@H]1c1cccs1 89799985 SYBJPIPILVMGNH-QGZVFWFLSA-N 317.479 4.474 0 40 DIAB CCOc1ccc(Cl)cc1C(=O)Oc1ccccc1C(C)=O 113703747 UZJJHRBFNQNXMH-UHFFFAOYSA-N 318.756 4.161 0 40 DIAB COC(=O)c1cc(Cl)ccc1OCc1ccccc1Cl 167262072 SDZHOZFHOWTFJM-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223150130 WBEANJJTWLJIDI-XETPBLJFSA-N 321.420 4.075 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C 223198306 YLIGPYJHKXESDQ-INIZCTEOSA-N 323.436 4.048 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224691477 ZSAFOYCGQDRELN-UHFFFAOYSA-N 308.208 4.195 0 40 DIAB CCCC[C@@H](CC)CNC(=O)C1(c2ccccc2)CCOCC1 225118228 HZIGXKRZUZUNDO-QGZVFWFLSA-N 317.473 4.067 0 40 DIAB CCCCCNC(=S)Nc1ccc(Br)cc1F 225378377 NNXDMWVBYQSSNH-UHFFFAOYSA-N 319.243 4.065 0 40 DIAB COC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCC1 225629321 WCEUQEHWMDVCDZ-UHFFFAOYSA-N 319.445 4.318 0 40 DIAB COc1ccc(NC(=S)NC2(C)CCCCC2)cc1Cl 225853894 SJYPXFHXGUGPOC-UHFFFAOYSA-N 312.866 4.358 0 40 DIAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3)oc2c1 226269844 XRIAGSJQZJRJLO-UHFFFAOYSA-N 320.270 4.020 0 40 DIAB Cc1cnc([C@H](C)NC(=O)c2oc3c(C)ccc(C)c3c2C)o1 331845736 UHRZHEOYMBPZDA-ZDUSSCGKSA-N 312.369 4.145 0 40 DIAB Cc1cc(C)c(NC(=O)N2CC(C)(C)[C@H]2c2cccnc2)c(C)n1 519746768 DRAATBUYUVQHHF-QGZVFWFLSA-N 324.428 4.017 0 40 DIAB Cc1cccn2cc(-c3ccc(NC(=O)CC(C)C)cc3)nc12 79488 FAPCBIJHHYFUDH-UHFFFAOYSA-N 307.397 4.294 0 40 DIAB CC1=Nc2ccccc2[C@@](O)(c2ccccc2)N1c1ccccc1 482092 VRTNCGIKAQZIGE-NRFANRHFSA-N 314.388 4.450 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 509011 KRYFKLVCLHBANA-INIZCTEOSA-N 311.425 4.375 0 40 DIAB CCCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC 513730 OJBCVJGSMTXYJP-UHFFFAOYSA-N 310.353 4.242 0 40 DIAB CC(=O)Nc1ccc2c(c1)C(=O)c1cc(Cl)c(Cl)cc1-2 1724339 CIXDUNTXSCSOBF-UHFFFAOYSA-N 306.148 4.163 0 40 DIAB CSc1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1 5222890 OQCMSBOOJJLPBV-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CC(=O)[C@@H](C)Sc1nc(-c2cccs2)nc2ccccc12 5288088 RCYKXKBZRNWHTO-LLVKDONJSA-N 314.435 4.428 0 40 DIAB CN(C)c1ccccc1CCCCC[C@H](C(N)=O)c1ccccc1 5423041 DJXAFMULYTZKIC-IBGZPJMESA-N 324.468 4.125 0 40 DIAB Cc1nc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 7030585 BFLXWLJYWOFOHO-GOSISDBHSA-N 318.405 4.441 0 40 DIAB CSc1ccc(CN(C)C(=O)Nc2ccc(F)cc2)cc1 9459924 BRXWGLWDEAZKBI-UHFFFAOYSA-N 304.390 4.212 0 40 DIAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 12416711 DTRRCUQQVYIPNX-TXEJJXNPSA-N 324.207 4.229 0 40 DIAB c1ccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13722889 ZBGQKKKSSNGLKC-UHFFFAOYSA-N 317.377 4.001 0 40 DIAB O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCCC1 20945523 MPFZZYIBNNMHIK-UHFFFAOYSA-N 321.833 4.166 0 40 DIAB CCc1ccc(-n2nc3oc4ccc(Cl)cc4cc-3c2=O)cc1 21147729 JFCCAIOBMVJHLH-UHFFFAOYSA-N 324.767 4.299 0 40 DIAB O=C(Cc1cccs1)Nc1ccc(F)c(C(F)(F)F)c1 22250574 WNWURRIEFYPKEH-UHFFFAOYSA-N 303.280 4.087 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCC1=CCCCC1 22511764 ULMUUJZOTLGIHH-SFHVURJKSA-N 301.430 4.159 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29515435 UDOKTPALCQSFLA-BETUJISGSA-N 314.454 4.237 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1F 32795237 FPCRRPDOHUKJHQ-NEPJUHHUSA-N 321.779 4.124 0 40 DIAB CC(C)Oc1cccc([C@@H](C)NC(=O)CCc2ccsc2)c1 40107192 MMMVCJLAEZPAHO-CQSZACIVSA-N 317.454 4.345 0 40 DIAB Cc1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 48272058 JEXYFIILSXKFJE-VIFPVBQESA-N 312.398 4.052 0 40 DIAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Cl)s1 48807416 FSNAPANASRNABO-UHFFFAOYSA-N 316.165 4.005 0 40 DIAB C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 72285833 ISFNZCCWGACJCG-HOCLYGCPSA-N 314.454 4.076 0 40 DIAB C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 72346751 FVSYTONOTZBKMN-RDTXWAMCSA-N 319.408 4.030 0 40 DIAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)C1CCCC1 72401693 RKFLAISCECALMI-UHFFFAOYSA-N 321.380 4.484 0 40 DIAB CCc1cc(N)cc2nc(-c3ccc(Br)cc3)oc12 73642584 IQYUPVDBFRMAHJ-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB CCC1(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)CCC1 75107011 KKXGUFAGIFCDFK-UHFFFAOYSA-N 315.457 4.254 0 40 DIAB O=C(c1ccccc1Cl)N1CCC(c2ccsc2)CC1 75157108 YNHFJPBZCMGHLJ-UHFFFAOYSA-N 305.830 4.421 0 40 DIAB O=C(CCc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 199736765 OMXIUVRBOXTRLE-UHFFFAOYSA-N 322.282 4.250 0 40 DIAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2c(C)cccc21 223232137 URICOHSVMBMBMZ-UHFFFAOYSA-N 311.381 4.488 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 224999863 VDVFQBZBSWTFJS-AWEZNQCLSA-N 301.817 4.400 0 40 DIAB CCC[C@@H](C)NC(=S)Nc1ccc2nc(CC)sc2c1 225207889 SNNMNFUAJLBHBS-SNVBAGLBSA-N 307.488 4.334 0 40 DIAB O=C(c1ccccc1F)N1CCS/C1=C/c1cccs1 225234721 HOQNKKRCHPFZPE-GXDHUFHOSA-N 305.399 4.075 0 40 DIAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1Cl 225728764 OQMKHCMQPCVMLM-UHFFFAOYSA-N 313.825 4.273 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N(C)c3ccccc3)o2)c(N)c1 226303872 WFURBWNZHJUHCB-UHFFFAOYSA-N 306.365 4.114 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1N 226305116 MMKHZWSZDSUECX-OKILXGFUSA-N 312.413 4.240 0 40 DIAB COc1ccc(C(=O)CCc2cccc(Cl)c2)cc1OC 228920680 YEBLIIZFQJZSGZ-UHFFFAOYSA-N 304.773 4.173 0 40 DIAB O=C(c1ccc(Br)c(F)c1)C(Cl)(Cl)Cl 306500434 YAKFFFNDDXTIMA-UHFFFAOYSA-N 320.372 4.141 0 40 DIAB Cc1cc(C)cc(N2C(=O)CS[C@H]2c2ccccc2F)c1 423793 CUQWIYWZHFQGHX-KRWDZBQOSA-N 301.386 4.221 0 40 DIAB COC(=O)c1c(NC(=O)C(C)C)sc(-c2ccccc2)c1C 522611 IIAQWDXSUZIFRG-UHFFFAOYSA-N 317.410 4.105 0 40 DIAB CCC[C@@H](C)N(CC)CCNc1cc(OC)cc2cccnc12 1656156 OFRCZWKTAGPGSE-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB CCN(CC)[C@H](C)[C@H](O)c1cc2c(c3ccccc13)CCCC2 1687280 OJOOGONWKGNBDZ-VFNWGFHPSA-N 311.469 4.482 0 40 DIAB COC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1C 1741524 XYDCHTGOHBHIMV-UHFFFAOYSA-N 318.760 4.079 0 40 DIAB c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1 2437654 GDFHWMRKPNTHRO-UHFFFAOYSA-N 304.397 4.072 0 40 DIAB Clc1ccc(OCc2nnc(-c3ccncc3)o2)c(Cl)c1 3013261 KDKXAOYUFDKZJT-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB COc1ccc(Nc2ncnc3c2oc2ccccc23)c(OC)c1 5163486 SCHOKXDETJYGDK-UHFFFAOYSA-N 321.336 4.137 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C[C@@]3(CC[C@@H]12)CC4=O 5912534 KFVUFODCZDRVSS-UJZMIBOKSA-N 318.457 4.443 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1cccc(C)c1C 7547553 GEUIDNZIBORCNX-SFHVURJKSA-N 324.424 4.176 0 40 DIAB Cc1cc(C(=O)COc2cc(Cl)ccc2Cl)c(C)n1C 7986932 FPWGZYYKYKOAKS-UHFFFAOYSA-N 312.196 4.210 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8478596 KFAYZXOCCYBUBU-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Cc1nc2ccc(Cl)cc2c(O)c1CN1CCCC[C@@H]1C 8700895 YQPXDZMMGCBFOW-NSHDSACASA-N 304.821 4.277 0 40 DIAB CC(=O)Nc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 11163583 DJIPPVRAQKFDJD-UHFFFAOYSA-N 313.740 4.276 0 40 DIAB CCCCCCOc1ccc(Br)cc1C(=O)O 11953215 QHRNNKWZVDZLRA-UHFFFAOYSA-N 301.180 4.106 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CCn1cnc2ccccc21 12638272 WQNKHNWGFKMAQH-UHFFFAOYSA-N 313.788 4.027 0 40 DIAB CC(C)N(Cc1ccccc1)C(=S)Nc1ccc(F)cc1 13686850 KBCVIPPCPYEZIH-UHFFFAOYSA-N 302.418 4.433 0 40 DIAB COc1ccccc1NC(=O)c1csc(-c2ccccc2)n1 14018673 FNTGMLWGOISIKY-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 14738625 PMXSBDJUZRGSRK-OAHLLOKOSA-N 311.425 4.304 0 40 DIAB Cc1ccc2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 16488705 JYYLDKCOSUGMIX-UHFFFAOYSA-N 319.389 4.405 0 40 DIAB Cc1ccc(-c2cc(C(=O)N3[C@@H](C)CC(C)C[C@H]3C)no2)cc1 17861020 JGMWRXZXGQCDEH-GOOCMWNKSA-N 312.413 4.299 0 40 DIAB CC(C)c1ncc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cn1 19498299 YZNIBYDVMWHUAY-AWEZNQCLSA-N 320.440 4.201 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20107597 SJZGJFLGNIQFEH-NEPJUHHUSA-N 321.779 4.124 0 40 DIAB O=C(Nc1cccc2cnccc12)c1ccc(Cl)cc1F 21220137 NYCVLRWPGDJALZ-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccccc2OC(F)F)C1(C)C 22839582 RQOYXIBTUQGBBN-UKRRQHHQSA-N 323.383 4.143 0 40 DIAB Cc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 26114372 UPXZTXBFTMOYPY-UHFFFAOYSA-N 321.464 4.327 0 40 DIAB CC(C)c1ccccc1OCCCn1c(C=O)nc2ccccc21 41058290 DEHLHXUFDMAJDF-UHFFFAOYSA-N 322.408 4.441 0 40 DIAB CCOC(=O)CCCCC(=O)c1ccc(SC)cc1Cl 43214386 YIMOTTGRANEVLT-UHFFFAOYSA-N 314.834 4.368 0 40 DIAB CC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccccc1 68755307 JYVGLCIBWIDSAG-UHFFFAOYSA-N 307.349 4.050 0 40 DIAB c1ccc(-n2c(SCc3cccnc3)nc3c2CCCC3)cc1 71850724 CWLUPIIFCNFUNQ-UHFFFAOYSA-N 321.449 4.438 0 40 DIAB O=CN1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217274 ZOCNOFAYQSIJEU-MRXNPFEDSA-N 304.459 4.190 0 40 DIAB Cc1nc(N2CCc3ccccc32)ccc1[C@@H](N)c1ccccc1 72224996 AUTVIUNJGAWBDN-NRFANRHFSA-N 315.420 4.132 0 40 DIAB CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccncc1Cl 75084203 AYTMJWGCHSNKTN-UHFFFAOYSA-N 322.817 4.278 0 40 DIAB COc1cccc(-c2cc(Cl)nc(Cc3ccccc3)n2)c1 78401356 PDJVRMQJTPLHFA-UHFFFAOYSA-N 310.784 4.396 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCCCc1ccccc1Cl 78579364 YOZGLVWCMUVYIK-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB CC(C)(C)OC(=O)n1cc(O)c2ccc(Cl)c(Cl)c21 80443728 RLIQQXVDEDGFRG-UHFFFAOYSA-N 302.157 4.437 0 40 DIAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1C[C@H]1c1cccnc1 84374544 CFJGYDBQWLLJKQ-RBUKOAKNSA-N 322.408 4.145 0 40 DIAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 89774592 LHKULIIYYBBOJO-LSDHHAIUSA-N 317.841 4.090 0 40 DIAB Cc1c(Cl)cccc1[C@H](O)c1ccc(Br)cc1 95730348 WLXWPWFPHYIIRT-CQSZACIVSA-N 311.606 4.493 0 40 DIAB COc1ccc(CSCC(=O)Nc2cc(C)cc(C)c2)cc1 113935222 MNQPVSLJARKLEA-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1C 113960830 FTSYTDCLNHKBGW-LSDHHAIUSA-N 315.388 4.087 0 40 DIAB Cc1nn(C)c2ncc(/C=C(\Cl)c3nc4ccccc4o3)cc12 195174360 CDIMQJBQNJPHBM-JYRVWZFOSA-N 324.771 4.155 0 40 DIAB CO[C@@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225645963 AGBIXIPZLVBDFO-LJQANCHMSA-N 319.445 4.092 0 40 DIAB CC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352448 LMLRXYORGUPLAN-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB COCc1cccc(CN2CCC[C@@H]2c2cccc(OC)c2)c1 506630316 CMKOOFKJBXJLFH-HXUWFJFHSA-N 311.425 4.179 0 40 DIAB CCOc1ccc(C(=O)[C@@H](CN2CCCC2)c2ccccc2)cc1 63367 DQUJPBBWZKHBFK-FQEVSTJZSA-N 323.436 4.148 0 40 DIAB CCOc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 143311 BKJRDFOZYIPRNV-UHFFFAOYSA-N 314.366 4.054 0 40 DIAB CCN(CC)Cc1c(NC(=O)c2ccccc2)sc(C)c1C 359476 CPYRSGLYASSSSA-UHFFFAOYSA-N 316.470 4.459 0 40 DIAB O=C(O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 479900 HQWLODFCSDJKCI-FNORWQNLSA-N 306.720 4.156 0 40 DIAB c1coc(-c2nc3nc4ccccc4nc3n2C2CCCC2)c1 536630 IXSYMUZEMKZAGV-UHFFFAOYSA-N 304.353 4.355 0 40 DIAB CC(=O)O[C@H](c1ccccc1Cl)C(Cl)(Cl)Cl 2044228 SQIAJTBVHQYVPU-SECBINFHSA-N 301.984 4.314 0 40 DIAB CCCCn1cc(C(=O)OCC)c2cc(O)c3ccccc3c21 2295373 DZJAFCZFPLTMLP-UHFFFAOYSA-N 311.381 4.477 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccccc1Cl 3218209 XADFQTPLLBDSBM-LBPRGKRZSA-N 317.841 4.410 0 40 DIAB O=C(/C=C/c1cccs1)Nc1ccccc1N1CCCCC1 3269349 OGAGPIPKEUBVHH-ZHACJKMWSA-N 312.438 4.390 0 40 DIAB COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 3330911 GYORNBFNXYFFJG-UHFFFAOYSA-N 311.362 4.214 0 40 DIAB Cc1ccc(C)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 5539035 RRCGPDIDODOIAD-UHFFFAOYSA-N 315.241 4.251 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2cc(C)ccc2F)cc1 6965457 WATFAOUYYRSSQN-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB CCN(C(=O)[C@H]1CC=CCC1)c1nc2c(C)cccc2s1 7719545 PIIGNLBHFPPSHY-ZDUSSCGKSA-N 300.427 4.314 0 40 DIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C[C@](C)(O)C[C@@H]12 8616508 BKFNLZHVRLYWBD-LCWAXJCOSA-N 300.442 4.302 0 40 DIAB CCCCC(=O)Nc1ccccc1S[C@H](CCC)C(=O)O 8732841 DUZFTKHIZMSSEQ-CQSZACIVSA-N 309.431 4.161 0 40 DIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)c(C)c1 10446408 MBCHVEKLBOOXAJ-FMIVXFBMSA-N 323.392 4.132 0 40 DIAB Cc1ccc(OCCSc2nc3ccccc3n2C)cc1C 11667110 BNNWGECBDINXMS-UHFFFAOYSA-N 312.438 4.361 0 40 DIAB O=C(OCc1cc(-c2ccc(Cl)cc2)on1)c1cccs1 12236701 VKKXCMVDTQZNPO-UHFFFAOYSA-N 319.769 4.414 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc21 12638822 RQQRIIPNHQNTHK-UHFFFAOYSA-N 313.788 4.027 0 40 DIAB O=C1C[C@@H](c2ccc(F)cc2)c2c(sc3c2CCCC3)N1 15084683 IHTRIJPISMAVBF-ZDUSSCGKSA-N 301.386 4.240 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1 21887558 RZVCRVPUFUKAJJ-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB Cc1noc(CNc2cc(Cl)ccc2Oc2ccccc2)n1 24661989 AYMLCPJKXFCZLS-UHFFFAOYSA-N 315.760 4.436 0 40 DIAB CCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(C)c1C 28744271 YSKOYLQNTJFEJV-HNNXBMFYSA-N 312.413 4.141 0 40 DIAB C[C@H]1c2cccn2CCN1C(=O)c1cc2c(s1)CCCCC2 30263658 FLNHWCRFLLDRLD-ZDUSSCGKSA-N 314.454 4.036 0 40 DIAB Cc1cccc(OCCn2c(=S)[nH]c3cc(F)ccc32)c1 42897244 JZQLBGGEOXHOON-UHFFFAOYSA-N 302.374 4.225 0 40 DIAB in-vitro CCC(CC)[C@@H](NC(=O)c1c(C)noc1C)c1cccs1 56008201 BCTLCAICVJCGSB-OAHLLOKOSA-N 306.431 4.260 0 40 DIAB O=C(/C=C/c1cc2cc(Cl)ccc2o1)NCc1ccccc1 67339220 SIWDIHJODQAUNK-VQHVLOKHSA-N 311.768 4.416 0 40 DIAB CCCN1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219239 DJHAPLGMHCFJCY-SFHVURJKSA-N 301.478 4.317 0 40 DIAB CC(=O)c1cccc(NC(=O)N(C2CCC(C)CC2)C2CC2)c1 72311244 PCIUVYYTIZPYLR-UHFFFAOYSA-N 314.429 4.464 0 40 DIAB O=C(Nc1cccc(OCCc2ccccc2)c1)C1CCCC1 78545420 WYLNSMWURPCFSG-UHFFFAOYSA-N 309.409 4.437 0 40 DIAB CCC[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 84740748 OHAUUBUSZQBRKN-CYBMUJFWSA-N 317.458 4.181 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccco3)cc2)oc1C 95381748 QSJTWJQRWGNVCR-HZPDHXFCSA-N 322.364 4.294 0 40 DIAB Cc1cccc2cc(C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)oc12 95449016 ATSAJEWLYDWUCA-GOEBONIOSA-N 315.413 4.065 0 40 DIAB CCC[C@]1(CCN[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96115342 UWNBQNKLNFHFPE-APWZRJJASA-N 311.510 4.299 0 40 DIAB biogenic Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1C 113960742 HYJXMLFFGZCWBO-UZLBHIALSA-N 323.436 4.265 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccs3)N21 222651859 PRPDJPOXPWNFQZ-KCPJHIHWSA-N 315.467 4.123 0 40 DIAB CC(C)Oc1cccc(NC(=O)COc2cccc(Cl)c2)c1 222766581 LGKIWHPXLAFVFI-UHFFFAOYSA-N 319.788 4.145 0 40 DIAB Cc1nc(NC(=S)N[C@@H](C)c2ccccc2)ccc1Cl 223955090 TUUQSBOQOXXNMW-JTQLQIEISA-N 305.834 4.091 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(OC)cc1 224196147 DGBBXXWQNHCVRA-IBGZPJMESA-N 311.425 4.122 0 40 DIAB CCOC(=O)c1c(C)c(Cl)cc(Br)c1Cl 1857776055 VBOQWLMQZFYMEZ-UHFFFAOYSA-N 311.990 4.241 0 40 DIAB CCc1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O 355030 UELSKRLKMYCLKT-UHFFFAOYSA-N 301.345 4.203 0 40 DIAB COc1cc2ncnc(Nc3cccc(C)c3C)c2cc1OC 1386797 YAVMUYQTOOVMFF-UHFFFAOYSA-N 309.369 4.007 0 40 DIAB COCc1ccc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 2009665 GQNBIMLHUAWKHJ-DLBZAZTESA-N 302.414 4.115 0 40 DIAB Cc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 2484912 CVFHIKAWXVSYQW-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 2495717 MRZPUHWOCOJGFJ-QGZVFWFLSA-N 302.462 4.205 0 40 DIAB Cc1ccc(N[C@@H]2Sc3ccccc3NC2=O)cc1Cl 2638207 PYWMDEREWTWAAQ-OAHLLOKOSA-N 304.802 4.131 0 40 DIAB O=C(CCc1ccccc1Cl)NCc1ccccc1Cl 3328084 JENYLNWSBQCAIV-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB Cc1ccc(CSc2ncc(CO)n2Cc2ccccc2)cc1 4158343 JTXDSSRJDRLTCJ-UHFFFAOYSA-N 324.449 4.024 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(CN2CCCCC2)cc1 5981927 BPRJSZNTBJFEAC-UHFFFAOYSA-N 308.425 4.233 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 6332515 QEMXFYZXMJZSBI-BJMVGYQFSA-N 306.192 4.323 0 40 DIAB Cc1cc(C)cc(NC(=S)NCCSCc2ccco2)c1 7582912 DZZIVJMFJUXBGO-UHFFFAOYSA-N 320.483 4.116 0 40 DIAB C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cccnc1 8026650 UNEZOSNKVYEATM-OAHLLOKOSA-N 318.376 4.365 0 40 DIAB CCCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1 8344257 GNLVAEILAXJJGD-UHFFFAOYSA-N 321.424 4.190 0 40 DIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1 8709094 UKOAHOAXSHYFDM-UHFFFAOYSA-N 310.328 4.052 0 40 DIAB O=C(O)Cc1csc(-c2ccc(Oc3ccccc3)cc2)n1 11959137 KMRBMZSXNNJSPY-UHFFFAOYSA-N 311.362 4.230 0 40 DIAB C[C@@H]1C[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)[C@@]23O[C@@H]2[C@H](C)C[C@@H]13 14984482 YQSKKSGGHGINRZ-NQTLPEFZSA-N 304.474 4.013 0 40 DIAB CCc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19523478 GBYOZGRWZPBBCJ-QCFAMHMHSA-N 321.468 4.101 0 40 DIAB O=C(Cc1cccs1)NCC1(c2ccc(F)cc2)CCCC1 21693653 MQEFSISBGRXXBJ-UHFFFAOYSA-N 317.429 4.058 0 40 DIAB CCCCSCC(=O)Nc1nc(-c2cccs2)cs1 23114311 UYKJKSLYUABRKI-UHFFFAOYSA-N 312.485 4.343 0 40 DIAB CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H]1CCc2ccccc21 27818222 JLNROCBHQQRRAW-RORWEDLISA-N 311.812 4.499 0 40 DIAB O=C(c1ccc(-c2ccco2)cc1)N1CCc2ccccc2C1 28048616 SOXLZEJHRDQNIV-UHFFFAOYSA-N 303.361 4.145 0 40 DIAB O=C1CCCc2cc(-c3csc(-c4ccco4)n3)ccc2N1 30447095 VWQLEMJJDGHUIJ-UHFFFAOYSA-N 310.378 4.345 0 40 DIAB CSc1ccc([C@H](C)NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 31693499 PQJMMSMHDJIGSC-TVQRCGJNSA-N 318.269 4.170 0 40 DIAB Cc1ccc([C@@H](NC(=O)CCc2ccco2)c2ccccc2)cc1 32983769 HLKRTCSLOAQKGI-NRFANRHFSA-N 319.404 4.426 0 40 DIAB Cc1cc(C(=O)Nc2ccnn2C2CCCC2)c2ccccc2n1 39978503 LLVBTXGUHANMBL-UHFFFAOYSA-N 320.396 4.107 0 40 DIAB O=C(Nc1ccccc1OC(F)F)c1cc2cc(F)ccc2[nH]1 40062120 KAMNSTSHZDLBJF-UHFFFAOYSA-N 320.270 4.161 0 40 DIAB CCOC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127136 FZHHKZDGRFTSGT-UHFFFAOYSA-N 315.756 4.254 0 40 DIAB COc1ccc(CC(=O)NC2CCC(c3ccccc3)CC2)cc1 45417593 MJAUPDHVZZYTHP-UHFFFAOYSA-N 323.436 4.080 0 40 DIAB CSc1cccc(NC(=S)Nc2ccc(F)cc2F)c1 47583299 GAYGUYCSMYCSLN-UHFFFAOYSA-N 310.394 4.496 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)c2C)cc1 51354267 JLVQYMPLQKJOJP-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 58844066 JZVRWPJYUHHRCC-UHFFFAOYSA-N 324.302 4.215 0 40 DIAB CCc1ccc2nccc(Nc3cccc(C(=O)OC)c3)c2c1 62719692 XBCIKCPGVPHKSH-UHFFFAOYSA-N 306.365 4.327 0 40 DIAB Fc1cc(F)cc(NC(=S)Nc2cc(F)ccc2F)c1 71761032 VEMIKESMQWISKM-UHFFFAOYSA-N 300.280 4.052 0 40 DIAB Cc1cc(OCc2ccccc2)ncc1[C@H](N)c1ccccc1 72223432 ZTQAODVPWMLSGE-HXUWFJFHSA-N 304.393 4.017 0 40 DIAB CC[C@@H](c1ccncc1)N(C)c1ccnc(-c2ccccc2)n1 77989652 TXTIMANVPHLISN-KRWDZBQOSA-N 304.397 4.126 0 40 DIAB C[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1cnccn1 90114989 GBUDDTNOMROPIY-WXRXAMBDSA-N 301.821 4.178 0 40 DIAB COc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1 90547488 IQWLQUXEBJKPSF-UHFFFAOYSA-N 317.348 4.148 0 40 DIAB COc1ccccc1NC(=O)c1ccc(Nc2ccncc2)cc1 95960355 AQMVZLGWTCKPPA-UHFFFAOYSA-N 319.364 4.086 0 40 DIAB O=C(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 97165274 PBGSLYTYVRUBRQ-SFHVURJKSA-N 316.360 4.271 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(CN2CCCC2)cc1 107082095 JNFGOOWSFZOOGS-OKZBNKHCSA-N 312.457 4.047 0 40 DIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc(C)cc1C 223364165 YWYJWTNFPGGGEO-FQEVSTJZSA-N 323.436 4.048 0 40 DIAB COc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)oc12 224096507 SFFKKKCGIGZLBC-UHFFFAOYSA-N 303.402 4.386 0 40 DIAB CC1(C)COc2ccc([C@@H](O)c3ccccc3Cl)cc2OC1 225356938 OOWBRUCAZHFGAI-QGZVFWFLSA-N 318.800 4.219 0 40 DIAB CCC[C@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225383839 CHBCTLAWCDRKRV-ZDUSSCGKSA-N 306.475 4.483 0 40 DIAB CC(C)c1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1 225421149 AYMWIECQAHLMRU-UHFFFAOYSA-N 309.413 4.028 0 40 DIAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225633420 DMGVFFUMIXHRDH-SPYBWZPUSA-N 319.445 4.398 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1 225737405 DMOMSOJXGXBRET-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccs3)N21 260775178 PRPDJPOXPWNFQZ-DFBGVHRSSA-N 315.467 4.123 0 40 DIAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)c1 408528558 JCXMXJYNZOTFCL-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB Cc1ccc(C(C)C)cc1OCc1nc(-c2cncs2)no1 578018117 ARJUIMMOHCZWAB-UHFFFAOYSA-N 315.398 4.204 0 40 DIAB CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1 202972 ZOSKHAQYLPBPOV-UHFFFAOYSA-N 317.392 4.089 0 40 DIAB Cc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 482168 PGIFIWYBJSFWRM-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB O=C([C@@H]1CC1(c1ccccc1)c1ccccc1)N1CCCCCC1 983787 CYCPDIDKUAQIJI-FQEVSTJZSA-N 319.448 4.395 0 40 DIAB OC(CCN1CCCCCC1)(c1ccccc1)c1ccccc1 1615792 AWBOVRMRZADVEY-UHFFFAOYSA-N 309.453 4.189 0 40 DIAB CCN(C(=O)COc1ccc(Cl)cc1)c1ccccc1C 1640204 JURZIHMZUQHPGD-UHFFFAOYSA-N 303.789 4.080 0 40 DIAB C[C@@H]1CCc2c(sc3ncnc(NCc4ccccc4)c23)C1 1972730 JSRVRBABKSXEMB-GFCCVEGCSA-N 309.438 4.428 0 40 DIAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 2626455 PETQARZQIGGKEH-UHFFFAOYSA-N 316.744 4.028 0 40 DIAB Cc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c1 3131942 NROVIXHXCNPCBH-UHFFFAOYSA-N 313.356 4.047 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1c(F)cccc1Cl 3275317 ZVIGYXFYZLPZFE-UHFFFAOYSA-N 321.760 4.446 0 40 DIAB CN(C)c1nc(Oc2ccc(Cl)cc2)cc(C(F)(F)F)n1 3469917 PBNXXMAKKIHORE-UHFFFAOYSA-N 317.698 4.007 0 40 DIAB Brc1ccc(C2OCC3(CO2)C[C@H]2C=C[C@@H]3C2)cc1 3852122 ZOJDOLXPTOICHP-VZVMWQMNSA-N 321.214 4.077 0 40 DIAB O=C(COc1ccc2ccccc2c1)Oc1ccc(Cl)cc1 4699466 YWZHMYMFAPCHBJ-UHFFFAOYSA-N 312.752 4.478 0 40 DIAB CCCCCC[C@@H](C)C(CC)(C(=O)OCC)C(=O)OCC 5524110 NFTMPERJCITLJW-CQSZACIVSA-N 300.439 4.116 0 40 DIAB CC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 5601798 UFWQMIYTFJVLOX-LBPRGKRZSA-N 307.390 4.140 0 40 DIAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(F)c1 6045183 KJODHPSKDVNNHV-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB Clc1ccccc1CSc1nnc2[nH]c3ccccc3n12 6506720 WOFKFBZCQSFKHP-UHFFFAOYSA-N 314.801 4.156 0 40 DIAB Cc1cc(C)c(NC(=O)COC(=O)CC2CCCCC2)c(C)c1 6886387 AULOIENFEXHDBR-UHFFFAOYSA-N 317.429 4.064 0 40 DIAB CCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 7262364 ASQHSDQFLNSJTE-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB CCOc1ccccc1Oc1nc2cc(C)nn2c2ccccc12 7737839 WDRLTDZDSZMAHD-UHFFFAOYSA-N 319.364 4.382 0 40 DIAB Cc1cc(NC(=O)Cc2coc3ccc4ccccc4c23)no1 8945830 BXSJOHNBSXXCQR-UHFFFAOYSA-N 306.321 4.064 0 40 DIAB O=Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1 12293907 ORUUAIYMQFDVSD-UHFFFAOYSA-N 302.329 4.385 0 40 DIAB Cc1nc2ccccc2c(C)c1CC(=O)NC1CCCCCC1 13140824 VDDNENWBZFUPQX-UHFFFAOYSA-N 310.441 4.233 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1cccc(OC(C)C)c1 14796265 BCHQOOVKEVJSDX-VAWYXSNFSA-N 311.381 4.134 0 40 DIAB CC(=O)Sc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2 16321871 WIVSXMQAAFAWSK-UHFFFAOYSA-N 318.829 4.314 0 40 DIAB O=C1OCC(c2ccc(Cl)c(Cl)c2)=Nc2ccccc21 16524412 CYAOLGPGCSRDRU-UHFFFAOYSA-N 306.148 4.285 0 40 DIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(F)cc1 28907120 OPVCURTWAJBCNW-CYBMUJFWSA-N 300.377 4.388 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccccc2)on1 31333674 MCZUEOPYFPBYFM-HNNXBMFYSA-N 320.392 4.093 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1cccc2ncccc12 32889013 HIZWBFHICMTYHL-UHFFFAOYSA-N 316.404 4.087 0 40 DIAB Clc1ccc(OCCSc2nnc(-c3ccco3)o2)cc1 40033982 WGSFXYBEQGGYFY-UHFFFAOYSA-N 322.773 4.154 0 40 DIAB COc1cc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc(OC)c1C 40081318 ZMXBTGBUWLSZJY-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccco2)o1 45003282 XABVNYBWRQYEGD-GFCCVEGCSA-N 323.352 4.269 0 40 DIAB CC(C)NC(=S)N1CCC[C@@H]1Cc1cccc2ccccc12 60837218 ZBSQFSAQAZLKQV-QGZVFWFLSA-N 312.482 4.130 0 40 DIAB C[C@@H]1CN(c2cc(-c3ccccc3)c3ccccc3n2)CCO1 65515819 XNUSTRBYDCGTLE-OAHLLOKOSA-N 304.393 4.127 0 40 DIAB NC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 73635299 AJFSDTFJIHXFNF-UHFFFAOYSA-N 323.204 4.369 0 40 DIAB CC(C)N(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CC1 84597202 XJFPMBZKYYMJES-ZIAGYGMSSA-N 311.347 4.208 0 40 DIAB COc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1F 89064254 NSTSLSLZNKCTTJ-UHFFFAOYSA-N 323.161 4.136 0 40 DIAB FC(F)(F)Oc1cc(Br)cc(C(F)(F)F)c1 95215418 AXALQYHPMLKLAS-UHFFFAOYSA-N 309.003 4.367 0 40 DIAB O=C(NCC12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1cccs1 101024254 LKMPOLAGRXIPAY-RBAVJSINSA-N 309.862 4.056 0 40 DIAB Cc1ccc(S[C@H](Cc2c(C)cccc2C)C(=O)O)cc1 225032207 ACGKHEVLLLGCNJ-QGZVFWFLSA-N 300.423 4.400 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(Cl)c1 225624756 BZCCHXWRQCYMBS-INIZCTEOSA-N 313.825 4.273 0 40 DIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 23658 UCGSJXFLRUQOTH-UHFFFAOYSA-N 316.360 4.478 0 40 DIAB biogenic c1csc(CCNc2ncnc3sc4c(c23)CCCC4)c1 189851 KYWFGSRGQXQSHG-UHFFFAOYSA-N 315.467 4.286 0 40 DIAB Cc1ccccc1CSC1=NCCN1C(=O)C1CCCCC1 244542 NXKPNNMVTZBJOG-UHFFFAOYSA-N 316.470 4.007 0 40 DIAB C=C1c2cc(OC)ccc2NC(=O)N1c1cccc(Cl)c1 499587 MVWVCEDLVZHVGK-UHFFFAOYSA-N 300.745 4.371 0 40 DIAB CC(=O)[C@@H](CCN(C)C)c1ccc2c(c1)CCc1ccccc1-2 1594885 FLJOWAJUTGCGMY-LJQANCHMSA-N 307.437 4.077 0 40 DIAB O=C(CCc1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 2517881 MZPRDHGUZOIFEE-UHFFFAOYSA-N 318.216 4.337 0 40 DIAB O=C(Nc1ccc(Cl)cc1)C(C(F)(F)F)C(F)(F)F 3157775 KUIUOUPZGHREMW-UHFFFAOYSA-N 305.605 4.019 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1 3294343 VTGHOTFBJIPTOK-VQHVLOKHSA-N 301.773 4.309 0 40 DIAB CSc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 4517581 ZYPVTMOYWAAFQM-SNVBAGLBSA-N 318.467 4.242 0 40 DIAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)CCc1ccccc1 4687658 JPSJZCFRPNZCKF-INIZCTEOSA-N 320.436 4.087 0 40 DIAB COc1ccc(/C=C(/C(=O)NCCC(C)C)c2ccccc2)cc1 4715833 UGQHSHIKFXUCFY-HMMYKYKNSA-N 323.436 4.398 0 40 DIAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccccc1 4854214 CUBXXJLIPWVUHH-QGZVFWFLSA-N 323.421 4.187 0 40 DIAB Cc1cccc(Cc2cnc(NC(=O)C3CCCC3)s2)c1 5423068 JCWPOFYSHGGOSX-UHFFFAOYSA-N 300.427 4.171 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 5556022 IVDKJYWJPRLNRW-NSHDSACASA-N 323.364 4.407 0 40 DIAB CCCN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 6657181 KXDBQIFKSXMMLO-XNTDXEJSSA-N 319.426 4.168 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cc(Cl)ccc1Cl 8278159 LNRFVUBRRDDSQJ-UHFFFAOYSA-N 322.147 4.492 0 40 DIAB Cc1nc(-c2cccc(NC(=O)Cc3cccs3)c2)cs1 8984493 JDDWUPNDTJFKOE-UHFFFAOYSA-N 314.435 4.361 0 40 DIAB COc1ccc2cc(CNC(=O)Nc3cccc(C)c3)ccc2c1 10258864 VVDMTWFQHNQNNO-UHFFFAOYSA-N 320.392 4.479 0 40 DIAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1cccs1 11613696 OUKLACUSYFQWJU-UHFFFAOYSA-N 321.304 4.038 0 40 DIAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 12619629 VXCRGNDMDMFJGH-UHFFFAOYSA-N 306.365 4.221 0 40 DIAB O=C(CSCc1cccc(Cl)c1)N1CCc2ccccc21 13673630 LNFZTONYSZVCLP-UHFFFAOYSA-N 317.841 4.163 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1 14738189 FDHQLTLSQAFCKE-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB Cc1cc(CN2CCc3sccc3[C@H]2c2ccccc2)no1 15034017 WNCNNGDUXHSERD-GOSISDBHSA-N 310.422 4.192 0 40 DIAB CC(C)c1cccc(OS(=O)(=O)c2ccc(Cl)s2)c1 16090564 XMARBQOKHRSTTD-UHFFFAOYSA-N 316.831 4.293 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 16467756 SKBTUBMWZXNCTR-UHFFFAOYSA-N 321.298 4.089 0 40 DIAB C/C=C\c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1 16904009 CFIBUZXYQCTTIT-ARJAWSKDSA-N 312.344 4.323 0 40 DIAB CCC(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 19691142 RCOFZRHUQMTHQB-UHFFFAOYSA-N 308.425 4.173 0 40 DIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccco1 20462095 AKVLOISZZZDVCU-AWEZNQCLSA-N 309.818 4.120 0 40 DIAB COc1ccc(-n2nc(Cl)nc2-c2cccc(Cl)c2)cc1 22125920 KGJIIOAAXSQTIN-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB O=C(CSCc1ccccc1)N(Cc1ccsc1)C1CC1 44446581 RLOWGYNXVIHNTB-UHFFFAOYSA-N 317.479 4.173 0 40 DIAB CC(C)c1nc([C@H](C)NC(=O)c2cccc(F)c2F)cs1 71907671 VNYMKOIQUTWHSY-VIFPVBQESA-N 310.369 4.036 0 40 DIAB CCCCOc1ccc(CCNC(=O)C2(CC)CCC2)cc1 75107009 XDKMVJVNDZAVAV-UHFFFAOYSA-N 303.446 4.105 0 40 DIAB O=C([C@H]1CC=CCC1)N(CCc1ccccc1)Cc1ccccn1 75170141 MHPKVBRCFZUECX-IBGZPJMESA-N 320.436 4.009 0 40 DIAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)C2CC=CC2)n1 76042867 IBKBWXJLBLBWOY-CQSZACIVSA-N 318.486 4.460 0 40 DIAB CC(C)c1nc(C[S@@](=O)Cc2ccc(Cl)s2)cs1 78394570 IGACBDPYEQTXAS-SFHVURJKSA-N 319.904 4.430 0 40 DIAB O=C(NCC1CC1)Nc1ccccc1-c1nc2ccccc2s1 84514801 CZBBNWLYIXXIKU-UHFFFAOYSA-N 323.421 4.495 0 40 DIAB c1ccc(OCc2cscn2)c(NC2CCSCC2)c1 92161251 QZAMBCYKDQVQCM-UHFFFAOYSA-N 306.456 4.030 0 40 DIAB O=C(NCc1csc2ccccc12)N[C@@H]1C[C@@H]1c1ccccc1 95955043 GKLOYYLFCVYAKR-IAGOWNOFSA-N 322.433 4.257 0 40 DIAB O=C(NCCc1ccccc1)c1ccc(Oc2ccccc2)o1 96182940 WEGISZPCCICFHM-UHFFFAOYSA-N 307.349 4.044 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113959637 AXHRAZPFOAPVEU-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB CCN[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118935692 ULMJJEKBONMJLW-MQWPULPWSA-N 317.517 4.288 0 40 DIAB Cn1cnc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 162763733 UQDKGPIGFBMOEO-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB CCC(CC)Nc1nc(Cl)nc(Nc2cccc(F)c2)n1 199799055 LNIUISFSHXXFOJ-UHFFFAOYSA-N 309.776 4.008 0 40 DIAB Cc1cc(O[C@H](C)C(=O)NCC2=CCCCC2)cc(C)c1Cl 224137237 QVMBGUQLEQXOPW-CQSZACIVSA-N 321.848 4.341 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1F 224242296 KXNODYHUBWNPMP-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 225368668 YMEUNSOACZTPFD-NVBFEUDRSA-N 312.240 4.231 0 40 DIAB Cc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1C 225759029 VRXYOJGDSDXFGZ-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(Cl)c1 225781503 HPWMPGNBLIMLGQ-LBPRGKRZSA-N 320.845 4.094 0 40 DIAB CN1CCCCC[C@H]1Cc1c(C(=O)O)sc2ccccc12 257198189 VNNGQMLMDGLGDY-LBPRGKRZSA-N 303.427 4.016 0 40 DIAB COc1cccc(CNC(=S)c2ccc(C(C)(C)C)cc2)c1 408571708 CZTFIKYDCYBTDL-UHFFFAOYSA-N 313.466 4.458 0 40 DIAB Cc1cc(C)cc(CSCC(=O)N(C)Cc2ccccc2)c1 408771044 DXFPIAVRXDQQCX-UHFFFAOYSA-N 313.466 4.195 0 40 DIAB CCCC(=O)c1ccc(Br)cc1OC(F)(F)F 575243195 SKTAEWRPILSOMO-UHFFFAOYSA-N 311.097 4.331 0 40 DIAB O=C(NCc1cc(-c2ccsc2)cs1)[C@@H]1CC=CCC1 1775969640 DKRFIHHKMCXAKI-GFCCVEGCSA-N 303.452 4.449 0 40 DIAB CCOC(=O)c1oc2ccccc2c1CSc1ccccn1 51669 VATDWNVUQUQJHU-UHFFFAOYSA-N 313.378 4.297 0 40 DIAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1OC 80636 BJWREFSFHJDLFG-UHFFFAOYSA-N 316.744 4.074 0 40 DIAB COc1cnc(SC)nc1Oc1ccc(Cl)c(Cl)c1 1391940 JRVJYDABTHJSTD-UHFFFAOYSA-N 317.197 4.306 0 40 DIAB CCNc1cc2c(cc1Br)-c1ccccc1C2=O 1724477 DASHNMRLDHECJW-UHFFFAOYSA-N 302.171 4.092 0 40 DIAB O=C(c1cc(Cl)nc2ccccc12)N1CCc2ccccc2C1 3238170 JIDTXDQBSOZKEY-UHFFFAOYSA-N 322.795 4.087 0 40 DIAB CSc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 4517380 WZRMJIIMRVNFEO-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 5873186 RNUBJZNPLIGDOB-KBXCAEBGSA-N 311.450 4.361 0 40 DIAB CCCCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 5973612 OYNSFIYSFXQMAX-HXUWFJFHSA-N 313.441 4.377 0 40 DIAB Brc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 6338260 TVHKQXMLDIBIFU-AWEZNQCLSA-N 319.227 4.146 0 40 DIAB Cc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CCC4)cc1 6671508 CUZGVNPVEDNIRG-UHFFFAOYSA-N 322.433 4.168 0 40 DIAB CC(=O)c1ccccc1NC(=O)CCCSc1ccccc1 6839344 CDMKWSWQGCJMRS-UHFFFAOYSA-N 313.422 4.400 0 40 DIAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl 7309992 DWOTVYHIELDJNM-UHFFFAOYSA-N 303.789 4.265 0 40 DIAB Fc1ccc(COc2cccc(CNCc3ccco3)c2)cc1 7523656 ICHDYXMOGGHVEF-UHFFFAOYSA-N 311.356 4.288 0 40 DIAB Cc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 7914426 WEPKCDANJZTIOV-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCCCC1 7995880 TZXKYABUDCYSOA-UHFFFAOYSA-N 300.427 4.181 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(F)c1 9141598 YPUTVARWIWSBRT-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CCC[C@@H](N[C@H](C)C(=O)Nc1ccc(F)cc1)c1ccccc1 9516832 BPOLBYLBIPESAE-RDTXWAMCSA-N 314.404 4.284 0 40 DIAB Cc1ccc(NC(=O)CSC(C)(C)C)c(Br)c1 9690596 LPTBCOJSVDPOQA-UHFFFAOYSA-N 316.264 4.228 0 40 DIAB CCOc1ccccc1NC(=S)N1CCCc2ccccc21 13572779 GOYGFMIHLKTKFD-UHFFFAOYSA-N 312.438 4.235 0 40 DIAB Cc1cc(NC(=O)Cc2ccc3ccccc3c2)n(C(C)C)n1 13657096 RZGVKEGRHBUIQQ-UHFFFAOYSA-N 307.397 4.107 0 40 DIAB CC[C@H](C)NC(=O)CCc1sc(C)nc1-c1cccs1 19933147 VNLFTTFCKZQCSC-JTQLQIEISA-N 308.472 4.027 0 40 DIAB Cc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20137457 AUFZYCZTGQXWLF-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 20460712 ODJIBBRKFYAZJQ-CQSZACIVSA-N 313.397 4.054 0 40 DIAB O=C(N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1C(F)(F)F 23153220 MFSJUFSYVADZBZ-MKVGIYFCSA-N 323.358 4.260 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c3c(cccc13)CC2 24870348 NXVZHBRTCBOVBA-AWEZNQCLSA-N 317.388 4.344 0 40 DIAB CCOC(=O)[C@H]1Sc2ccccc2N[C@@H]1c1ccc(F)cc1 27526290 ZYEVIBONAYZRHO-CVEARBPZSA-N 317.385 4.016 0 40 DIAB Cn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2occc21 36365996 ILBGXXUFTXBVFB-UHFFFAOYSA-N 309.152 4.330 0 40 DIAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1 44839707 JRCXAVDJBNYFDV-LJQANCHMSA-N 311.425 4.258 0 40 DIAB CCOC(=O)c1ccc(NC(=O)C2CCCCC2)c(Cl)c1 44901278 AAHILWVVTOATTF-UHFFFAOYSA-N 309.793 4.036 0 40 DIAB c1csc(-c2noc(CN3CCC[C@@H]3c3ccsc3)n2)c1 46088104 AMMKOJNTMICOET-GFCCVEGCSA-N 317.439 4.197 0 40 DIAB CCc1ccc2nccc(Nc3ccc(C(=O)OC)cc3)c2c1 62719684 OPBZRUGDSFYPLL-UHFFFAOYSA-N 306.365 4.327 0 40 DIAB CC[C@@H](C)n1c(CCCCC(=O)O)nc2cc(Cl)ccc21 64874467 URJDMYGJCAYJBO-LLVKDONJSA-N 308.809 4.458 0 40 DIAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)C 65403096 LLDDKGXTKFRYIT-UHFFFAOYSA-N 314.863 4.362 0 40 DIAB CCn1c(C(=O)Nc2ccc3nc(C)oc3c2)cc2ccccc21 65552220 AYDBZQBICXAIKY-UHFFFAOYSA-N 319.364 4.363 0 40 DIAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1Cc1ccccc1 72218707 QZJFAOJKHNTLPZ-LJQANCHMSA-N 309.457 4.183 0 40 DIAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2F)o1 84525466 XRRPYOXCPDKARS-DOTOQJQBSA-N 321.351 4.372 0 40 DIAB Cc1ccc([S@](=O)Cc2ncc(-c3cccs3)o2)cc1C 85233336 ZCTUWMMQWLXVMW-NRFANRHFSA-N 317.435 4.328 0 40 DIAB CC(C)Cn1ccnc1CN[C@@H]1C[C@H](C)Sc2sccc21 95423177 DBGMRWJXRZIQSL-GXTWGEPZSA-N 321.515 4.316 0 40 DIAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 95633958 LKJMIKFHZQUYRJ-QZTJIDSGSA-N 306.361 4.203 0 40 DIAB C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1ccc2ccccc2n1 95967679 GOKCWFVCCZJLHQ-LSDHHAIUSA-N 306.409 4.222 0 40 DIAB CSc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1F 96435409 KZXWNUVKRASPNK-MRVPVSSYSA-N 323.393 4.035 0 40 DIAB CCC[C@@H](N[C@@H](C)c1ccc(CC)o1)c1nnc2ccccn12 96477172 VPMCJLLFMSMYMH-DZGCQCFKSA-N 312.417 4.077 0 40 DIAB CCn1ncc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c1C 102598115 WTJMKYLMMVVQNQ-MJGSYPLASA-N 315.461 4.147 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN 122079020 SNWGRADGFKNELG-LFGUEBOJSA-N 305.506 4.109 0 40 DIAB Nc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 139617280 BLEJLJKBALJKGI-UHFFFAOYSA-N 324.387 4.455 0 40 DIAB CN(C(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 222727436 DQPHZZJHVBGSNX-UHFFFAOYSA-N 323.820 4.375 0 40 DIAB Cc1ccnc(NC(=S)NC2(c3cccs3)CCCC2)c1 225873605 CZWOIUUOZGUZNH-UHFFFAOYSA-N 317.483 4.207 0 40 DIAB O=C(NC(=S)c1cccc2ccccc12)Nc1ccc(F)cc1 408729706 CCOIUDLSBOVQLB-UHFFFAOYSA-N 324.380 4.476 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccccc1Cl 575609771 GQMOQRDMPACZPF-UHFFFAOYSA-N 301.729 4.123 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3nc(C)c(C)nc3c2)C1(C)C 1427364 GDFPHELAPFAEGX-QAPCUYQASA-N 323.440 4.424 0 40 DIAB Cc1cc(=O)n([C@@H](C)c2ccccc2)n1[C@H](C)c1ccccc1 1710540 IVSYXCFWNOBBAM-SJORKVTESA-N 306.409 4.177 0 40 DIAB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)O 3887686 IGEOTGHPIWCSHX-UHFFFAOYSA-N 301.367 4.018 0 40 DIAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 4744029 FDGQIVOIHOIMNK-URBDGJAYSA-N 304.474 4.205 0 40 DIAB in-vitro CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 5245189 NZBNXAKEHKAQJM-UHFFFAOYSA-N 300.427 4.009 0 40 DIAB O=C(NCCSCc1cccs1)c1cccc(Cl)c1 5245608 LCNUGSUTNWVWGE-UHFFFAOYSA-N 311.859 4.065 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6037028 QAAQQTDJEXMIMF-NFJVIFTASA-N 318.501 4.307 0 40 DIAB biogenic,in-vitro CCSc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1 7039404 OSSWOSDYOILDJR-UHFFFAOYSA-N 314.410 4.009 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 8480563 OQKLKJMUFGTRDF-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CCCCCC(=O)Nc1ccccc1S[C@@H](CC)C(=O)O 8732882 XVVJKEGNFXWKIM-ZDUSSCGKSA-N 309.431 4.161 0 40 DIAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2ccccc2s1 10216918 NHTWPHUTAKFJDR-DZGCQCFKSA-N 312.438 4.316 0 40 DIAB O=C(COC(=O)c1cccc(F)c1)c1ccc2ccccc2c1 11565733 JBVJLNNGVOYEFZ-UHFFFAOYSA-N 308.308 4.019 0 40 DIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccccc2)o1 11596223 RRLBLPCRJSRENW-NSHDSACASA-N 314.366 4.002 0 40 DIAB Cc1cnc(NC(=O)c2ccc(-c3ccccc3)nc2C)s1 12613739 VAOQIPWARGKOGN-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 12788159 MREJWZXMDPONEH-NSHDSACASA-N 321.829 4.468 0 40 DIAB CCCCc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 12885284 IUUQWSPZQZLVQZ-UHFFFAOYSA-N 303.402 4.003 0 40 DIAB COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc23)c1O 14117756 ZIXIYGXSWRIVJI-CYBMUJFWSA-N 321.376 4.045 0 40 DIAB N=C1N=C(N2CCCC2)S/C1=C/c1ccc2ccccc2c1O 16526019 GGJKRVXKBAUGHR-MAUHWUFLSA-N 323.421 4.062 0 40 DIAB C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(F)cc1 22468837 HKFKEVVTNKPSSL-ZDUSSCGKSA-N 312.388 4.144 0 40 DIAB Cc1cccc(OC(=O)Cc2nc(-c3cccs3)oc2C)c1 24260514 ZMESVUCMCFHPTO-UHFFFAOYSA-N 313.378 4.168 0 40 DIAB CCCC[C@@H](CC)CNC(=O)/C=C/c1cc(OC)ccc1OC 27563256 MCCSHSBZKSJYFM-SAAWKEMMSA-N 319.445 4.050 0 40 DIAB CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 27818113 NKTMUSDHBRJZNO-INIZCTEOSA-N 319.326 4.465 0 40 DIAB Cc1ccccc1NC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920635 NDIOXVOBNOMGKT-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB O=c1ccc2ccc(OCc3cc(F)cc4cccnc34)cc2o1 31607572 CAFDNJCEMXGHEF-UHFFFAOYSA-N 321.307 4.059 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3ncccc23)c1C 31689251 DJNSYJCDUAOMOM-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1 32105314 JDHAHLUMNOZBTC-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB C[C@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1cccs1 40071109 UTUOQVGVIVAFKU-WCQYABFASA-N 318.467 4.345 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2F)on1 40087702 MJXMBOKOEPEKLB-GFCCVEGCSA-N 322.339 4.072 0 40 DIAB COc1ccc2oc(C)c(C(=O)Nc3ccc(F)cc3F)c2c1 44816404 YEFQBIXKNZVGHB-UHFFFAOYSA-N 317.291 4.280 0 40 DIAB Cc1coc(-c2ccc3c(c2O)CCCC3(C)C)c1C(=O)O 45259294 SXYWLTCAODPVEW-UHFFFAOYSA-N 300.354 4.273 0 40 DIAB CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F 53943999 RTFNHCKSRPIBFB-UHFFFAOYSA-N 324.355 4.280 0 40 DIAB CC(C)CN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214321 CAJFQOJBNCYODC-OAHLLOKOSA-N 319.449 4.222 0 40 DIAB C[C@@H](Sc1nnc(N)s1)[C@@H](C)c1nc2ccccc2s1 79020072 LREUHJGXGSXFBH-HTQZYQBOSA-N 322.484 4.014 0 40 DIAB O[C@H](c1ccc(Cl)c(F)c1)c1ccccc1Br 95730058 PEDMLGKCJFWVSF-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB CC(C)(C)[C@H](NC[C@@H](O)c1ccco1)c1cc2ccccc2o1 95996222 HMYDAORUHYSJSZ-RDTXWAMCSA-N 313.397 4.436 0 40 DIAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)CCC1 102656386 IRJFIUIVAQAZDJ-GOSISDBHSA-N 316.364 4.103 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCSc1ccc(Cl)cc1 105703541 JOHFZOYVWPADRV-MELADBBJSA-N 323.889 4.375 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1C 223478894 RUVSWCVRTLOPDE-KRWDZBQOSA-N 311.425 4.118 0 40 DIAB CCOc1ccc(C(=O)NCCCc2cccc(C)c2)cc1C 224634822 BIYGQLFRIGYNKU-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCCc1nc2ccccc2o1 224951035 CABLLXDITJGDNC-OAHLLOKOSA-N 316.445 4.483 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCC1CCCCC1 225203326 XGOCDBDFCZUYAI-HNNXBMFYSA-N 315.457 4.029 0 40 DIAB CC[C@H](C(=O)NCc1cccnc1-c1ccco1)c1ccccc1 225659644 WZIIIAWOFXVFQW-KRWDZBQOSA-N 320.392 4.152 0 40 DIAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)s1 1776001326 MHYDMTCHQXTVOV-GJZGRUSLSA-N 302.443 4.007 0 40 DIAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1 28337 MGULLFMYZCCHKQ-HNRFISLBSA-N 309.409 4.148 0 40 DIAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccco1 162506 UGUFOORZJBCFDD-WOJBJXKFSA-N 320.344 4.181 0 40 DIAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 222831 FMLDXYVQALNHEZ-DLBZAZTESA-N 324.815 4.386 0 40 DIAB Cc1nc2sc3c(c2c2nnc(SC(C)C)n12)CCCC3 413206 XGSBOMDVBKXFCM-UHFFFAOYSA-N 318.471 4.027 0 40 DIAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 514078 ZUYUFTUNIXDKQX-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OC 563850 RIDSDGAMWDUYOC-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)c1c(O)[o+]c2ccccn12 819021 YXZBCKRMRLRMEE-UHFFFAOYSA-O 309.128 4.057 0 40 DIAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC 1934606 VHJJEPGRFNMDCM-ZRDIBKRKSA-N 311.381 4.136 0 40 DIAB Cc1cc(C(=O)NCc2cccc(Cl)c2)c2ccccc2n1 2626220 YMYULYHWDTUSIS-UHFFFAOYSA-N 310.784 4.127 0 40 DIAB O=C(CCc1nc2ccccc2s1)N1CCCc2ccccc21 2632809 OHAZIKOUJQVGFR-UHFFFAOYSA-N 322.433 4.208 0 40 DIAB CSCc1c(C(=O)Nc2nccs2)oc2ccccc12 3549557 NNALNZOOKUKUSY-UHFFFAOYSA-N 304.396 4.005 0 40 DIAB CCCCCC[C@@H](C)n1c(-c2nonc2N)nc2ccccc21 3668593 BXDGDGHXDDNARF-GFCCVEGCSA-N 313.405 4.200 0 40 DIAB C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4023053 XWALNWXLMVGSFR-XUFBONQXSA-N 300.442 4.045 0 40 DIAB biogenic CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 4294154 HDHHYESZXUNDOA-CSKARUKUSA-N 321.170 4.285 0 40 DIAB OC1=N[C@@H](c2ccc(F)cc2)Nc2sc3c(c21)CCCC3 5997081 UQEQICLTNZKPEU-CQSZACIVSA-N 302.374 4.195 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 6152004 CHCAJDJDDZKGDD-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB c1cncc([C@H]2CCCCN2CCOc2ccc3c(c2)CCC3)c1 6624607 ZTWYFGQMBYHVSK-OAQYLSRUSA-N 322.452 4.176 0 40 DIAB biogenic Cc1ccc(SCC(=O)N2CCC(c3ccccc3)=N2)c(C)c1 6917131 SSXRVUNXKWZGOV-UHFFFAOYSA-N 324.449 4.032 0 40 DIAB Cc1ccccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7382103 VJTYEYMUQKINIZ-UHFFFAOYSA-N 313.445 4.036 0 40 DIAB O=C(OCc1nc2ccccc2o1)c1cc2ccccc2s1 7413078 JGMOTZWOISQSED-UHFFFAOYSA-N 309.346 4.400 0 40 DIAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 12619244 XYBDTJSEBSGMJR-KRWDZBQOSA-N 313.422 4.049 0 40 DIAB C[C@H](NC(=O)NCc1ccccc1Cl)c1ccc(F)c(F)c1 12770551 SINIBXNAAYRPLV-JTQLQIEISA-N 324.758 4.179 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12795802 AQPKLKNXTSCRQQ-CQSZACIVSA-N 320.396 4.033 0 40 DIAB CC(C)C(NC(=O)[C@@H](C)Oc1cccc2ccccc12)C(C)C 13709066 SULMSSGHCRQUPX-OAHLLOKOSA-N 313.441 4.404 0 40 DIAB Fc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)c(F)c1 13823332 RYVALRDGFFSPMU-OAHLLOKOSA-N 318.392 4.329 0 40 DIAB CC(C)c1ccc(CN(C)Cn2nc(C3CC3)[nH]c2=S)cc1 15545272 JBTSUCMEPGMZDI-UHFFFAOYSA-N 316.474 4.031 0 40 DIAB Cc1cccc(CSCC(=O)Nc2ccc(F)c(F)c2)c1 15588349 LDQSVRXRCBKPGJ-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB CCCCSc1ccc(NCn2nnc3ccccc32)cc1 16639451 XRVLVXHHQGJSKX-UHFFFAOYSA-N 312.442 4.393 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1cccs1 17909532 DLZPWSNDMWTWJK-UHFFFAOYSA-N 321.445 4.317 0 40 DIAB c1ccc(C2=N[C@@H](c3ccccc3)N3C[C@]23c2ccccc2)cc1 19801320 WBGPXLGRLVZYHL-BVQDOMOSSA-N 310.400 4.399 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)c1C 20484869 ZFBNTOQUUIZOOJ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3c(C)cccc3C)ccc2o1 24927713 GBTXBZZOCGMRIK-ZDUSSCGKSA-N 323.396 4.192 0 40 DIAB CCN(Cc1cccc(F)c1)C(=O)N[C@H](C)c1cccs1 26245537 UKICTQMGZLYLSS-GFCCVEGCSA-N 306.406 4.180 0 40 DIAB FC(F)(F)Oc1ccc2nc(C(F)(F)F)nc(Cl)c2c1 26894544 JYTWVXOFHKVKRN-UHFFFAOYSA-N 316.588 4.201 0 40 DIAB Cc1ccc2c(C)c(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1 27794548 ZCFVFAOCFAXRCT-JTQLQIEISA-N 324.380 4.415 0 40 DIAB C[C@@H](NC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 30983090 PQIUPQBSZYCGRD-SNVBAGLBSA-N 300.324 4.008 0 40 DIAB CSc1ccc([C@H](C)NC(=O)CCc2ccsc2)cc1 31693484 DWEHVTZVFZTOTJ-LBPRGKRZSA-N 305.468 4.280 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1(C)C 32843229 HUINDZQGANDZRK-HOTGVXAUSA-N 305.849 4.237 0 40 DIAB CCC(CC)NC(=O)c1nc(-c2ccc(Cl)cc2)oc1C 32900993 UTQNZGLQEVBKOP-UHFFFAOYSA-N 306.793 4.222 0 40 DIAB Cc1ccccc1CN(C)[C@H](C)c1nc(-c2cccs2)no1 40071599 YQMODFOONNQRHY-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB COc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1 48178785 YUONKCQOOIBOPL-UHFFFAOYSA-N 311.381 4.077 0 40 DIAB Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccsc3)no2)s1 48342216 BBRDOUGUMMSYSN-LLVKDONJSA-N 319.455 4.361 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc3nc(N)sc3c2)cc1 57351211 MTJAWCXPSDJHDX-UHFFFAOYSA-N 311.410 4.254 0 40 DIAB CC(C)(C)CC(=O)N(Cc1cccc(Br)c1)C1CC1 58029856 FXLPLMQKNQVNRW-UHFFFAOYSA-N 324.262 4.376 0 40 DIAB CCCN(C(=O)c1ccc(OCC)c(OC)c1)C1CCCCC1 58368918 QWZXTRVKBCKTFE-UHFFFAOYSA-N 319.445 4.279 0 40 DIAB O=C(c1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1 59842874 QMSXXGPDSUOVES-UHFFFAOYSA-N 308.406 4.199 0 40 DIAB CCCCN1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214383 HIZLMJDTWYQTLB-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB CCOc1ccc2nccc(Nc3ccc(C(=O)O)cc3)c2c1 72237224 PEXDGDFKZXGRBQ-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1 78457933 MXJNMNGWTNGTBZ-HZPDHXFCSA-N 311.425 4.202 0 40 DIAB Fc1ccccc1-c1ccc(CNc2ccn(CC(F)F)n2)o1 79108780 PMSJEOGDGBHRRJ-UHFFFAOYSA-N 321.302 4.159 0 40 DIAB CCO[C@@H](C)c1noc(CNc2c(C)cccc2C(C)C)n1 85288195 GSQKXKUFGHAQLJ-ZDUSSCGKSA-N 303.406 4.211 0 40 DIAB Cc1cccc(CNCCCSC(F)(F)C(F)(F)F)c1 95918323 MKZCTYCLGYNICG-UHFFFAOYSA-N 313.335 4.363 0 40 DIAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccsc1 97083044 KLWYQRVMGTXTCY-AWEZNQCLSA-N 318.446 4.237 0 40 DIAB Cc1nn(-c2ccc(F)cc2)c(O)c1Cc1ccc(Cl)cc1 100072246 ZEXLTUVPIDHXOQ-UHFFFAOYSA-N 316.763 4.270 0 40 DIAB Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c(C)n1 152423799 HBCCGTINORMBAX-MRXNPFEDSA-N 313.401 4.441 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NC(C)(C)CC(C)(C)C 224447339 WIOXBISBXSRWNH-HNNXBMFYSA-N 309.425 4.314 0 40 DIAB CC(C)c1ccccc1O[C@H](Cc1ccc(F)cc1)C(=O)O 225054204 YECUEEHDRHHYKW-QGZVFWFLSA-N 302.345 4.024 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)cc1 225697839 QJYAOKONTBNOAQ-GOSISDBHSA-N 307.434 4.399 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)N[C@H](C)c2ccccc2)cc1 225773114 JZPYOJPRGZGJCF-CYBMUJFWSA-N 323.421 4.005 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2ccccc12 225791906 LEHUDYMMOYVCER-IBGZPJMESA-N 315.413 4.382 0 40 DIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)nc1 225907989 QHRFMIDVFJIIPA-SFHVURJKSA-N 322.449 4.184 0 40 DIAB Cc1ccc(CN2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 226251151 HUKKPKGYPGLUIW-UHFFFAOYSA-N 303.409 4.161 0 40 DIAB CCCCCCC(=O)Nc1nnc(CCc2ccccc2)s1 408729924 FEAKTMCAFVMKBO-UHFFFAOYSA-N 317.458 4.232 0 40 DIAB Cc1ccc2c(c1)C(=O)C1(CCN(Cc3ccccc3)CC1)C2 2362801510 JYGRELANEKYCEQ-UHFFFAOYSA-N 305.421 4.016 0 40 DIAB CC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1 806058 KDLVYURNHIOMKF-UHFFFAOYSA-N 310.441 4.259 0 40 DIAB CC[C@@H](c1cccc(OC)c1)[C@H](C(=O)O)c1ccc(OC)cc1 1724397 YSWXNSSNXKEMCA-ZWKOTPCHSA-N 314.381 4.066 0 40 DIAB CC(C)OC(=S)SCC(=O)c1ccc(C(F)(F)F)cc1 1743813 NUAYGYJRMOHKJY-UHFFFAOYSA-N 322.373 4.331 0 40 DIAB O=C(Nc1ccc(SC(F)F)cc1)c1cccnc1Cl 3177634 AMXLEDJOPKAPPP-UHFFFAOYSA-N 314.744 4.302 0 40 DIAB CC(=O)N1c2ccc(Cl)cc2[C@H]2OCC[C@H]2[C@@H]1c1ccco1 4555205 NMSSETOEIBVUBW-VUCTXSBTSA-N 317.772 4.118 0 40 DIAB Cc1ccc(SCCC(=O)N2CCc3ccccc3C2)cc1 4681264 HHZGHAQWONRUNN-UHFFFAOYSA-N 311.450 4.062 0 40 DIAB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 6660193 MJVPQOUOCJBYOX-ZDUSSCGKSA-N 313.788 4.097 0 40 DIAB CC1CCN([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 7389242 JUGCOJLPRQTJDF-LLVKDONJSA-N 315.244 4.052 0 40 DIAB Cc1cccc(COc2ccccc2C(=O)Nc2nccs2)c1 7655071 RSRFUOJJTXBQRX-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8499554 POKKEDOQRWSDPC-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB c1ccc2oc(SCc3ccc(-n4cccn4)cc3)nc2c1 8526527 RAZAOWWTZGDOMF-UHFFFAOYSA-N 307.378 4.306 0 40 DIAB O=C(Nc1ccc2ncccc2c1)C12CC3CC(CC(C3)C1)C2 9060852 XRBIRJUGUXROIY-UHFFFAOYSA-N 306.409 4.390 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)s1 9065599 NETJXPMKILVIQQ-UHFFFAOYSA-N 320.761 4.096 0 40 DIAB O=C(C[C@@H]1C=CCC1)N[C@H](c1ccc(F)cc1)c1cccs1 9155921 JKGXNPJKDJRKBW-FZKQIMNGSA-N 315.413 4.449 0 40 DIAB CC(C)[C@H](NC(=O)N1CCc2sccc2C1)c1cccs1 9865820 ZVHSPUIHCIJCQR-HNNXBMFYSA-N 320.483 4.275 0 40 DIAB C1=CC[C@H](CN2CCC(c3cc4ncccc4cn3)CC2)CC1 12224071 AXJGPOJUCDZVER-INIZCTEOSA-N 307.441 4.166 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1Cl 12770539 KARHPNVOVSESJH-CYBMUJFWSA-N 302.805 4.209 0 40 DIAB COC(=O)c1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 14015325 FKWRZRNCFGNIPH-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB Cc1cc(C(=O)Nc2ccc(Br)cc2C)c(C)o1 15649796 XWMDNIQUXCARBV-UHFFFAOYSA-N 308.175 4.220 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCc2ccccc21 22512061 QCWDCJOQSRPHMV-MRXNPFEDSA-N 315.800 4.087 0 40 DIAB CC(C)c1nc2cc(NC(=O)NCc3ccccc3)ccc2o1 27351647 UAUKYXGMSRODQA-UHFFFAOYSA-N 309.369 4.273 0 40 DIAB O=C(Nc1ccc2c(c1)CCO2)c1ccc(Cl)c(Cl)c1 32787444 NGLKHNNZZDGTAB-UHFFFAOYSA-N 308.164 4.181 0 40 DIAB O=C(Cc1cccs1)N1CCC(c2c[nH]c3ccccc23)CC1 32904566 DPISIBUCBXSAMS-UHFFFAOYSA-N 324.449 4.178 0 40 DIAB CCCCCNC(=O)c1cc(Br)ccc1Cl 37974765 FVPXSQMFAYNKHJ-UHFFFAOYSA-N 304.615 4.023 0 40 DIAB Cc1ccc(C(=O)C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 40005232 HBGLYVXAUAIHKG-UHFFFAOYSA-N 323.436 4.134 0 40 DIAB CCN(CC)[C@H](CNC(=O)Nc1cc(C)ccc1C)CC(C)C 40094997 ZVISAEGXWYRPRT-KRWDZBQOSA-N 319.493 4.181 0 40 DIAB c1ccc2cc(OCC[n+]3ccc4ccccc4c3)ccc2c1 47463096 SXXUTJCAJTWZOE-UHFFFAOYSA-N 300.381 4.360 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1ccc(CC)cc1 53521488 DQGBPWGBFYCFPC-UHFFFAOYSA-N 314.454 4.134 0 40 DIAB Cc1cc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)c(C)o1 60138289 LONVYMXHMFLVGC-SNVBAGLBSA-N 311.303 4.406 0 40 DIAB COc1cccc([C@H]2SCC(O)=Nc3ccsc32)c1OC 71279382 IYDNEGPDBDVFFQ-CQSZACIVSA-N 321.423 4.190 0 40 DIAB CCc1cc(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)sc1C 95994002 AYZFTYPXHHOUIC-HOTGVXAUSA-N 323.502 4.333 0 40 DIAB C[C@H](NC(=O)C1[C@H]2CCC[C@H]12)c1nc(-c2ccccc2)cs1 101465833 PNZSPJCUAAIPNT-UBHSHLNASA-N 312.438 4.033 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 104242028 FDWIVGHPYKMNRS-PTYDGGDLSA-N 302.458 4.269 0 40 DIAB Cc1nc(NC(=S)NC2CCCCC2)c(Cl)cc1Cl 224036699 MPHSLQXJHIGBBZ-UHFFFAOYSA-N 318.273 4.316 0 40 DIAB CCC1(CC)C[C@@H](NC(=O)C2CCCC2)c2ccccc2O1 224798838 HTVIFEACFBBGSO-MRXNPFEDSA-N 301.430 4.375 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1F 225448815 IIWFQKGJUUAOQV-HNNXBMFYSA-N 313.416 4.241 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 575361040 OWPNACYDMBGZOU-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB CCCc1nc(-c2noc([C@H](C)Cc3cccc(F)c3)n2)co1 576265409 LXABSFLPNQSRQJ-LLVKDONJSA-N 315.348 4.162 0 40 DIAB Cc1ccccc1C1(C(=O)Nc2cnn(C(C)C)c2)CCCC1 585085340 ZHKOOVMNIXMFEZ-UHFFFAOYSA-N 311.429 4.223 0 40 DIAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccsc1)c1ccco1 618257410 XBHMGXKJMFPFDC-KBOKABMXSA-N 323.417 4.303 0 40 DIAB O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccncc1 348352 ZVQMOTRJOYBMEL-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB Cc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 1738768 ZXCBZUKZZKUURK-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Cl)cc1 2181339 ZSARYJLAQCXCPV-UHFFFAOYSA-N 309.818 4.012 0 40 DIAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCC2)c1 2515143 AEMXOHJRWZGZQP-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB C[C@H](NC(=O)CSc1cccc2cccnc12)c1ccccc1 3066111 AGJIVQCZKLGXSI-AWEZNQCLSA-N 322.433 4.204 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1nc2ccccc2s1 3431942 GMNNSBBPWOSRBF-QFEHZMRISA-N 300.427 4.004 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 4540381 NDKALJHJCVJIHI-AWEZNQCLSA-N 322.360 4.060 0 40 DIAB Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c(C)cc(=O)oc2c1 4540382 NDKALJHJCVJIHI-CQSZACIVSA-N 322.360 4.060 0 40 DIAB CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5245899 DAOFMTYJDPEJGW-UHFFFAOYSA-N 300.427 4.107 0 40 DIAB Cc1sc2ncnc(N[C@H]3CCOc4ccccc43)c2c1C 5937979 ZKANGMWQVWHOPM-ZDUSSCGKSA-N 311.410 4.244 0 40 DIAB CC(=O)Nc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 6336572 NOOVJXOQXXBIJJ-UHFFFAOYSA-N 316.445 4.436 0 40 DIAB O=C(Cc1c(F)cccc1Cl)NC1(c2ccccc2)CCC1 7987971 NSAOSWSRPBEDIB-UHFFFAOYSA-N 317.791 4.217 0 40 DIAB Cc1ccc(C)c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 8395761 RWJKSPOQVDYNAA-GOSISDBHSA-N 322.452 4.154 0 40 DIAB Cc1ccc(SCc2cc(=O)oc3c(C)c(O)ccc23)cc1 11239746 BQVBJASWEBEYHY-UHFFFAOYSA-N 312.390 4.408 0 40 DIAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)cc1C 13972041 CGTYVSHDPVQTET-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(C)cc2)cc1 14184217 QEEOPZVBUVZQSS-UHFFFAOYSA-N 319.408 4.055 0 40 DIAB CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccc(OC)cc1 20040868 DTRQWTUKQMRKQB-LJQANCHMSA-N 311.425 4.122 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1cccc(C)c1 25108786 KHXLGOIQTDIYMF-DBTPVHCXSA-N 309.409 4.236 0 40 DIAB COc1ccc2nc(C)c(C(=O)NCCC3=CCCCC3)cc2c1 29688618 GBDDNOCFUQUOQJ-UHFFFAOYSA-N 324.424 4.172 0 40 DIAB Cc1c(Cl)cccc1NC(=O)NCCc1ccccc1F 40096533 XUMZPYDGAVYWIL-UHFFFAOYSA-N 306.768 4.152 0 40 DIAB c1ccc(COc2ccc(OCC[C@@H]3CCCNC3)cc2)cc1 42773028 DGRXHNGMKCDUML-KRWDZBQOSA-N 311.425 4.034 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@]1(C)CC[C@@H]2O 43722399 DQOPJSFDWXFQLN-QTCMIBMWSA-N 304.474 4.061 0 40 DIAB CCC(C)(C)NC(=O)c1ccc(C2SCCCS2)cc1 57728297 ULRIBFYLPBTZPQ-UHFFFAOYSA-N 309.500 4.474 0 40 DIAB Cc1cccc(CSCC(=O)NCCC2=CCCCC2)c1 58693248 RUUQMXQSBVLMCL-UHFFFAOYSA-N 303.471 4.235 0 40 DIAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(F)ccc1Cl 72331793 FXXONCSOYQGDLL-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB CCc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1 78457594 CBXZNDFOKZOCGY-LBPRGKRZSA-N 317.816 4.402 0 40 DIAB Cc1ccc(C)c(CSCc2nc(N)c3ccccc3n2)c1 84142492 FWUVYTXGZFUBOA-UHFFFAOYSA-N 309.438 4.262 0 40 DIAB Cc1ccc2oc(C(=O)c3sccc3Br)cc2n1 95947881 DXBGTGBMHLTQNI-UHFFFAOYSA-N 322.183 4.191 0 40 DIAB CCCC[C@]1(CCNC(=O)c2ccco2)CCOC(C)(C)C1 96114905 JCLOCBITMZCKKK-SFHVURJKSA-N 307.434 4.165 0 40 DIAB biogenic C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102193794 XZKCLKHVIYSXGI-VOAKCMCISA-N 308.878 4.451 0 40 DIAB Cc1ccc(-c2cc(Cl)ncc2C(=O)NC(C)(C)C)cc1 2362797666 QGLUJGXZEAGQAF-UHFFFAOYSA-N 302.805 4.239 0 40 DIAB Cc1cc(Br)ccc1NC(=O)c1ccccc1C 60045 OUOSRUGOZHYIKG-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C 370961 UILYERDGSIJSTI-AWEZNQCLSA-N 301.817 4.377 0 40 DIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Cl)cc1 574322 QKCZYECJVYQPIG-ZHACJKMWSA-N 317.772 4.009 0 40 DIAB Cc1ccccc1C(=O)c1ccccc1C(=O)c1ccccc1 1654284 BZXHFEMYFVQXQN-UHFFFAOYSA-N 300.357 4.457 0 40 DIAB COc1ccc(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 1665707 QVLRRTRLBDNDGO-UHFFFAOYSA-N 314.385 4.477 0 40 DIAB CCN(CC)[C@@H](C)[C@H](O)c1cc2c(c3ccccc13)CCCC2 1687279 OJOOGONWKGNBDZ-BTYIYWSLSA-N 311.469 4.482 0 40 DIAB COc1ccccc1OCCCn1c(C2CC2)nc2ccccc21 2331562 GEALSHHPRBCEBB-UHFFFAOYSA-N 322.408 4.391 0 40 DIAB COc1cccc(NC(=S)Nc2ccc(Cl)cc2F)c1 3414886 CPYSDTQIHNZFQB-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CCCCCOc1ccc(NC(=O)Cc2csc(C)n2)cc1 5183525 GILGIROOKISKHF-UHFFFAOYSA-N 318.442 4.202 0 40 DIAB CC1=C(C)[C@H](c2c[nH]c3ccccc23)N(Cc2ccc(C)o2)C1=O 6450086 ODTONQYRXFGGSB-LJQANCHMSA-N 320.392 4.489 0 40 DIAB CCN(C(=O)c1cccc(F)c1)c1nc2c(C)cccc2s1 6647210 YJCGRPGULYWXKU-UHFFFAOYSA-N 314.385 4.411 0 40 DIAB Cn1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc21 7191878 AKPMETMYWVSLPU-UHFFFAOYSA-N 322.383 4.122 0 40 DIAB COc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 7209030 IPDYRAFLGNCSLQ-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB ClC1(Cl)C[C@H]1Cn1c([C@H]2CCCO2)nc2ccccc21 7343612 KRFNGRLOKDYAEE-GXFFZTMASA-N 311.212 4.082 0 40 DIAB CCOc1ccc2oc(=O)c(-c3nc4cc(C)ccc4[nH]3)cc2c1 7344353 VOAIARKMZIGLLJ-UHFFFAOYSA-N 320.348 4.043 0 40 DIAB Cc1ccc(C)c([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 7785785 BLFUDQBPMQQOBE-MSOLQXFVSA-N 304.397 4.041 0 40 DIAB Cc1ccccc1-c1noc(-c2cc(-c3cccs3)n[nH]2)n1 9002115 LWSHLNHBHYTIBX-UHFFFAOYSA-N 308.366 4.164 0 40 DIAB Cc1ccc2[nH]c(CN(C)[C@H](C)Cc3ccccn3)c(C)c2c1 12148195 VPDURSJMXGWGLG-OAHLLOKOSA-N 307.441 4.243 0 40 DIAB CCC(=O)N1CCc2cc(-c3cc4cc(C)ccn4c3)ccc21 12235768 RCXGTTFWZOTXSV-UHFFFAOYSA-N 304.393 4.214 0 40 DIAB O=C(NCCSCc1ccccc1F)c1ccc(Cl)cc1 13632702 DGSMWZCBINFYAW-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)cc1 13670217 QWXNVPLSRPWFKU-NSHDSACASA-N 316.198 4.041 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21 14400060 GPAQXEJCOUSFSK-HNNXBMFYSA-N 323.436 4.341 0 40 DIAB O=C(/C=C/c1ccccc1)NCCOc1ccc2ccccc2c1 16142134 JFVOAORJYPXSFW-JLHYYAGUSA-N 317.388 4.048 0 40 DIAB COCc1nc2ccccc2c(C)c1C(=O)OCc1ccccc1 22356936 RTMAKAXARVAKHF-UHFFFAOYSA-N 321.376 4.047 0 40 DIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(Cl)cc1F 24887373 BXJLPFJREDUHRZ-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 30755632 FDTBFXSTVALAQH-LBPRGKRZSA-N 319.351 4.494 0 40 DIAB COc1ccc(NC(=O)c2cccc(C)c2-n2cccc2)cc1 32932494 OVKOQBIWAKTNOQ-UHFFFAOYSA-N 306.365 4.047 0 40 DIAB COc1cccc(COc2cccc3ccccc23)c1C(=O)O 35973660 UPDUVEOOJCHRAR-UHFFFAOYSA-N 308.333 4.126 0 40 DIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 36562772 NIJCKRUXRABDER-CZUORRHYSA-N 317.816 4.375 0 40 DIAB CN(CCc1ccccn1)c1ccc2c(c1)Cc1ccccc1-2 37866084 JLVXUVJNMZBXSS-UHFFFAOYSA-N 300.405 4.332 0 40 DIAB in-vitro CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 38754315 GIVZNUIQFQFWBW-MRXNPFEDSA-N 309.837 4.336 0 40 DIAB OC1(CCCc2ccccc2)CCN(Cc2ccccc2)CC1 40448971 QCYPWEXDRBOVNC-UHFFFAOYSA-N 309.453 4.036 0 40 DIAB Cc1cc(C)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c(C)c1 40525463 YPZDASFYLWJTTA-ZDUSSCGKSA-N 314.351 4.418 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N2CCCCCC2)cc(C)c1Cl 40913156 WHDHODTUXUBFBB-AWEZNQCLSA-N 309.837 4.127 0 40 DIAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccco1 48365624 DBXFILJHTOCXID-JTQLQIEISA-N 316.744 4.079 0 40 DIAB CCOc1cccc(C=O)c1OCc1c(F)cccc1Cl 49345329 JDAKKDURTWGUTI-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)N(Cc2cccnc2)C2CC2)c1 69570046 SEWAUTSKEMGRBB-INIZCTEOSA-N 323.440 4.134 0 40 DIAB CCCCN1CCC[C@H]1c1cccnc1N1CCCCCC1 72216708 XDWSHOUFWJHGDI-SFHVURJKSA-N 301.478 4.399 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2)cnc1NCc1ccccc1 72222334 ZRZWRTIYSIMIMU-IBGZPJMESA-N 304.393 4.084 0 40 DIAB C[C@@H]1CCc2ccccc2N1C(=O)c1coc(-c2ccccc2)n1 78037083 WLEQHHNTWLDWDP-CQSZACIVSA-N 318.376 4.323 0 40 DIAB O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccccc1 82087158 LKRJORGMWCRTQT-NSHDSACASA-N 312.756 4.002 0 40 DIAB CC(=O)c1c(F)cccc1N1C[C@H](c2ccsc2)O[C@H](C)C1 89937042 BYKZATKQQYIETI-BDJLRTHQSA-N 319.401 4.056 0 40 DIAB COc1ccc(Cl)cc1[C@H](C)N[C@@H](C)c1c(C)noc1C 96477624 MBWXCBLCYWFQQQ-UWVGGRQHSA-N 308.809 4.365 0 40 DIAB O=C(N1CCCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100970402 NDULMDKMWCMYJL-AMZMEHNNSA-N 309.453 4.147 0 40 DIAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 118930015 AESDMFRTIWNVNV-DVNACEGESA-N 318.501 4.307 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(C)cc1C)c1ccc(OC)cc1 224196096 DGBBXXWQNHCVRA-LJQANCHMSA-N 311.425 4.122 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1Cl 224897670 GVLPVTPDSGPCHV-ZDUSSCGKSA-N 317.816 4.456 0 40 DIAB CC(C)(C)c1ccc(O[C@@H](Cc2ccccc2F)C(=O)O)cc1 225050883 VNLZAOZWQNZUSR-KRWDZBQOSA-N 316.372 4.198 0 40 DIAB CC[C@@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 225271851 MAKOVUXSYNQWHJ-SSDOTTSWSA-N 321.671 4.187 0 40 DIAB CC(C)(CNC(=O)CCc1cccc(Cl)c1)c1ccsc1 1565523446 PDPPPZIZENKJCN-UHFFFAOYSA-N 321.873 4.428 0 40 DIAB c1ccc(-c2cccc(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)n2)cc1 1988182108 KNCASMDNPRUSBI-VQTJNVASSA-N 312.372 4.191 0 40 DIAB O[C@](Cc1cccnc1)(c1ccccc1)c1ccc(Cl)cc1 75811 NRTPWWLOZYKDOU-LJQANCHMSA-N 309.796 4.214 0 40 DIAB CC(C)Cn1c(SCc2ccccc2)nnc1-c1ccncc1 203513 NXFGYHMKGPKABO-UHFFFAOYSA-N 324.453 4.288 0 40 DIAB CSc1nnc(CNc2ccc(C)cc2C)n1-c1ccccc1 422495 HJHYSJWDXHLVCB-UHFFFAOYSA-N 324.453 4.218 0 40 DIAB COCCNc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 2647244 ICHAIEPCZJKYFX-UHFFFAOYSA-N 322.433 4.440 0 40 DIAB COc1ccccc1CCC(=O)Nc1ccc(Cl)cc1F 3611837 BBWLUUVXBBVEEV-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(F)c1 6510588 YQAVZEBACLZUSP-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cc2)cc1 6966266 KXFODAOZNIBEMU-CYBMUJFWSA-N 300.427 4.051 0 40 DIAB Fc1ccc(NC(=S)NCCCc2ccccc2)cc1Cl 7572322 HBCNWOPNHUHFTE-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB Cc1cccc(NC(=O)c2ccc(F)cc2Br)c1C 8060305 AWHTWXCQJIJQKO-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB CCNCc1cc(Br)ccc1OCc1ccccc1 8227224 KAZQPNCCNMJCCR-UHFFFAOYSA-N 320.230 4.138 0 40 DIAB Cc1cccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 12974559 SYRABTMJYKRFMY-ZDUSSCGKSA-N 310.422 4.438 0 40 DIAB CC[C@@H]1CN(C)CC[C@@]1(OC(=O)c1ccccc1)c1ccccc1 13635454 OJLWUEFIEDXWFB-NQIIRXRSSA-N 323.436 4.101 0 40 DIAB Cc1[nH]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2c1C 15732206 RLMAAJPHAVDXCK-UHFFFAOYSA-N 312.800 4.368 0 40 DIAB COc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 17055154 NFHCBELWQWPMDD-UHFFFAOYSA-N 320.270 4.431 0 40 DIAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(N)c1 19736682 JRLCGGRSASPQAP-KBPBESRZSA-N 312.413 4.188 0 40 DIAB Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)c1 20194289 HCPJHFZCPSCSKS-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCn1c(SCc2ccc(C)cc2)nc2ccsc2c1=O 27820540 RMZTVEJEXOQVRC-UHFFFAOYSA-N 316.451 4.079 0 40 DIAB O=C(Oc1ccc2c(-c3ccccc3)noc2c1)c1ccncc1 32096711 LVMJFTNIUKPNPH-UHFFFAOYSA-N 316.316 4.109 0 40 DIAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3)c2c1 38487334 KXAHWFPSXXPRJA-UHFFFAOYSA-N 322.364 4.164 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1 38752762 LFZWSDPXCRWEIH-HNNXBMFYSA-N 303.789 4.160 0 40 DIAB O=C(NCc1ccccc1)Nc1ccccc1SC(F)F 43552845 XNXBSXZYWUDOKV-UHFFFAOYSA-N 308.353 4.323 0 40 DIAB O=C(CCC1CCCCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 44709184 UBAVTGVYKHWJLS-GOSISDBHSA-N 319.420 4.086 0 40 DIAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1Br 52944748 ONZOFSSUQNYPTM-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CN(C)C(=O)c1ccc(NC(=O)CCCC2CCCCC2)cc1 58007643 JTMYRTMTZHGHLM-UHFFFAOYSA-N 316.445 4.078 0 40 DIAB Cc1ccc(C)c(SCc2csc(-c3cnn(C)c3)n2)c1 58419017 KZJZKBYTPGNSMX-UHFFFAOYSA-N 315.467 4.453 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCC2)cn1 72215079 JRMREBSOOCXLHH-CYBMUJFWSA-N 317.433 4.205 0 40 DIAB CCCN1CCCC[C@@H]1c1cccnc1N1CCCCCC1 72216720 WNLURJNNFYTTSL-GOSISDBHSA-N 301.478 4.399 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCc2ccccc21 72222904 URJZUAXWJUGCRP-FQEVSTJZSA-N 316.404 4.166 0 40 DIAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219041957 RZLFPRZUXAKOIC-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB CCCC[C@H](C(=O)OC)N1c2ccccc2C(C)=CC1(C)C 223225336 SJZWQMJQCRZLQV-QGZVFWFLSA-N 301.430 4.420 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)cc1Cl 225007574 UJWOJJRETDJDJU-GFCCVEGCSA-N 303.789 4.148 0 40 DIAB CCOc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1 225108252 PBVFMDYWQHSLHR-QGZVFWFLSA-N 316.422 4.182 0 40 DIAB CCCc1ccc(OCCNC(=O)c2ccc(C)c(C)c2)cc1 225195066 GKSFSHPOHAQBPU-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB COC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC(C)CC1 225641256 KHELFYJLUQCLMP-UHFFFAOYSA-N 319.445 4.316 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)cc2)CCCCCC1 225658825 QNBHCQDSZFPPDC-UHFFFAOYSA-N 305.418 4.153 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 260912744 YMEUNSOACZTPFD-ITDIGPHOSA-N 312.240 4.231 0 40 DIAB CCCN(CCc1cccs1)[C]1CCc2c(O)cccc2C1 1560407647 XXEYVQXGKYTPJL-UHFFFAOYSA-N 314.474 4.429 0 40 DIAB CC(C)(CNC(=O)c1c(F)cccc1Cl)c1ccsc1 1565519140 FDVUPLAAKVBBPH-UHFFFAOYSA-N 311.809 4.248 0 40 DIAB C[C@H]1C[C@@H](c2ccc(Cl)c(N)c2)CN(C(=O)OC(C)(C)C)C1 1625361852 IVARZESEJKRXJQ-WCQYABFASA-N 324.852 4.283 0 40 DIAB CN(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1017027 NVKOPODSHMFETR-UHFFFAOYSA-N 304.393 4.087 0 40 DIAB COc1cnc(SC)nc1Oc1ccc(Cl)cc1Cl 1391941 TVBOVTBVHWMHCB-UHFFFAOYSA-N 317.197 4.306 0 40 DIAB O=C(Cc1ccccc1F)Nc1nc(-c2cccs2)cs1 2618976 DECSAPXNQLMMTO-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB CC(C)c1cccc(C(C)C)c1OCCNC[C@H]1CCCO1 3247035 IIHNAEJGWJXMQS-MRXNPFEDSA-N 305.462 4.081 0 40 DIAB CCc1ccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)cc1 3330358 OWUGSHDIBBZUSL-GFCCVEGCSA-N 316.392 4.220 0 40 DIAB CCc1ccc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 3347852 SACIGAWNHNXIHS-LBPRGKRZSA-N 302.805 4.342 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)cc1C 3559277 OCWWKJBSKAVEAD-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB O=C(O)c1ccc(COc2ccccc2Cc2ccccc2)o1 4294540 RLTLLVPPTQCUEW-UHFFFAOYSA-N 308.333 4.148 0 40 DIAB COc1nc2ccccc2cc1-c1noc(-c2ccccc2F)n1 4383826 ZVKWEUQCAAIGDN-UHFFFAOYSA-N 321.311 4.100 0 40 DIAB O=C1c2ccccc2-c2c(NC(=O)C3CCCCC3)cccc21 4492450 AMDRBJBWTQFZSU-UHFFFAOYSA-N 305.377 4.417 0 40 DIAB Cc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928711 OOJBTAJAYKGFAA-LJQANCHMSA-N 317.392 4.085 0 40 DIAB C[C@@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CCC[C@H]12 5103715 FIYKELYEIQYSKX-CRGXURCLSA-N 304.474 4.349 0 40 DIAB Cc1ccc(-c2nnc(SCc3ccc(F)cc3)n2C)cc1 5498796 XGJYQOJBIYIYCT-UHFFFAOYSA-N 313.401 4.222 0 40 DIAB COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 6328170 LTGGNOPZTCPUTE-AWEZNQCLSA-N 314.454 4.003 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C(=O)NC1CC1)c1ccccc1 6988743 HWRORGSKCBTXNN-KRWDZBQOSA-N 315.800 4.047 0 40 DIAB ClC1(Cl)C[C@@H]1Cn1c([C@@H]2CCCO2)nc2ccccc21 7343611 KRFNGRLOKDYAEE-MFKMUULPSA-N 311.212 4.082 0 40 DIAB Clc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 7849566 BYAHRFHXNPJVOI-UHFFFAOYSA-N 307.850 4.069 0 40 DIAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1-c1ccccc1 8325045 WUBVHBLFQWEDJZ-UHFFFAOYSA-N 309.365 4.410 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1ccc(-c2nccs2)cc1 8707042 NYAABOBAFIKKPQ-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 9816836 GSNUQTAKVBPHRE-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)N[C@@H](c1ccccc1)C1CC1 9878371 UIOPHCNALRIZJM-MOPGFXCFSA-N 306.409 4.124 0 40 DIAB Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccccc2)C2CC2)cc1 12679049 DMSUQMWEYKZPOX-DNVCBOLYSA-N 308.425 4.063 0 40 DIAB CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 12774099 KWDPTBOHDOSCND-UHFFFAOYSA-N 321.163 4.411 0 40 DIAB Cc1csc(-c2nc(NC(C)C)ncc2-c2ccsc2)n1 13227952 DHUGCIRVDVZABF-UHFFFAOYSA-N 316.455 4.457 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(Cl)c1 14022261 VSOYXDKWWDWHEZ-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB Cc1cccc(NC(=O)N(C2=NCCC2)c2ccc(F)cc2)c1 16689859 VBKODTTUXRAEEA-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB Cc1sc(N)c(C(=O)c2ccc(Cl)c(Cl)c2)c1C 19776148 IKQRBPYHAXWTIM-UHFFFAOYSA-N 300.210 4.485 0 40 DIAB Nc1c(Cl)c(Cl)nc(C(Cl)(Cl)Cl)c1Cl 19791600 VNJVZJNBTWPKNX-UHFFFAOYSA-N 314.814 4.451 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1 20106507 ZQXMEZOXGLOQAJ-ZDUSSCGKSA-N 301.361 4.355 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1)c1cccs1 32201177 LJGFIOPKGDDHEI-KCJQPUCUSA-N 301.411 4.355 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2[nH]1 32770846 ZZLJMSXRFPQLAA-UHFFFAOYSA-N 316.763 4.233 0 40 DIAB Oc1ccc(C2=CCN(Cc3c(F)cccc3Cl)CC2)cc1 32851102 SADWFTCEKSUWMK-UHFFFAOYSA-N 317.791 4.474 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 35052375 GCKMFJBGXUYNAG-JZCOGDJRSA-N 302.458 4.269 0 40 DIAB O=C(c1c(F)cccc1Cl)N1CC[C@@H](c2ccccc2)C1 38567075 KBQZABUCRWIMLU-CYBMUJFWSA-N 303.764 4.109 0 40 DIAB C[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 44596305 HYJUJKYBRWHCRU-NSHDSACASA-N 300.229 4.185 0 40 DIAB Cc1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1 49581361 VJGRMVDVGLNAPN-UHFFFAOYSA-N 314.392 4.093 0 40 DIAB COc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 51355944 VDYPZKARXBSAOD-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB CCOc1cccc2cc([C@H](C)NCc3cscn3)oc12 57627763 BTWZTICXUOYXJV-NSHDSACASA-N 302.399 4.139 0 40 DIAB C[C@H]1C[C@@H](C)CN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 58019555 AXCDKTZXGSMHMO-XQQFMLRXSA-N 319.836 4.429 0 40 DIAB CCC(CC)C(=O)NCc1ccc(CN2CCCCCC2)cc1 60206064 ZIXGJJOEDHIYOQ-UHFFFAOYSA-N 316.489 4.115 0 40 DIAB CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(CC)cc1 95116016 DEOULWKBCMJHEG-QGZVFWFLSA-N 310.397 4.320 0 40 DIAB O[C@H](c1ccc(F)c(Cl)c1)c1ccccc1Br 95730045 FTNFVXFEZPZFHR-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB CCc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100983260 LIPYBAIAMSKLLD-SFHVURJKSA-N 320.371 4.036 0 40 DIAB C[C@]12C[C@]3(C(=O)Nc4cccc(C(F)(F)F)c4)[C@H]1CC[C@@]23C 104152776 QUGPFRCQTQGUTC-QCEMKRCNSA-N 309.331 4.470 0 40 DIAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 104562391 PYPUEKBHSVPLLO-BLFANLJRSA-N 310.800 4.425 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 216389912 HESQMDMLAHGCOW-UHFFFAOYSA-N 324.207 4.031 0 40 DIAB CC(C)(C)c1ccccc1OCCNC(=O)Nc1ccccc1 223665807 TZKXVURDILLYHW-UHFFFAOYSA-N 312.413 4.185 0 40 DIAB CCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OCC 224693560 GAMYCPWDNPHOBZ-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226324246 MBZAVQSHZFWNCO-CYBMUJFWSA-N 311.429 4.101 0 40 DIAB Fc1cccc(Cc2cnc([C@@H]3CCCN3C3CCCC3)o2)c1 257228313 FTJJNMRZCYUELR-SFHVURJKSA-N 314.404 4.484 0 40 DIAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)cs1 257239474 HPKAWEYCXZMCRV-GFCCVEGCSA-N 320.483 4.348 0 40 DIAB O=C(CCCCBr)c1cc(F)c(Cl)c(F)c1 382673317 GBIWDNAMTKNWDV-UHFFFAOYSA-N 311.553 4.366 0 40 DIAB Cc1nocc1NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 585119975 DFAYVGGHDQAWHK-UHFFFAOYSA-N 314.345 4.066 0 40 DIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccccc1 103572 NHNGJDSGMLBEDD-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB Brc1ccc2ncnc(NCc3ccccc3)c2c1 122248 CRIVWOZDTPNCTP-UHFFFAOYSA-N 314.186 4.004 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 309409 JJEDGZQEVOPXQN-UHFFFAOYSA-N 320.417 4.275 0 40 DIAB Cc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 426634 YVHSRTXFORQCTF-CYBMUJFWSA-N 312.413 4.386 0 40 DIAB CCCC(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 512847 MHMVHBQNHXBDKU-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB O=C(C[C@@H](Cc1ccccc1)c1ccco1)NC1CCCCC1 521568 WHIGIKAAMNRNEB-QGZVFWFLSA-N 311.425 4.445 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)cc1)OCc1ccc(F)cc1 3237839 YGXJDAJMEIZJHK-UHFFFAOYSA-N 320.747 4.185 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(Br)cc2)cc1C 3481138 DCHHSBNCFRLFCV-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CSc1ccccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163664 QLVZSEGXUMXCOS-UHFFFAOYSA-N 324.405 4.020 0 40 DIAB Cc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21 4912934 FVQCHAGNMWCVRM-QGZVFWFLSA-N 303.361 4.328 0 40 DIAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(Cl)c(Cl)c1 6795680 RFJFOKVWQLPMIX-UWVGGRQHSA-N 316.232 4.293 0 40 DIAB Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc1 6822541 XYOWJDWFZCLWLE-UHFFFAOYSA-N 314.816 4.494 0 40 DIAB Cc1cc(F)ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 7381943 WTKGJUQLLNMRPT-UHFFFAOYSA-N 321.417 4.169 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc(OC)c1 8382836 HQMYAYTXKCLFSF-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1cscc1Br 8855251 XSBZWHMATWICJZ-YHYXMXQVSA-N 306.184 4.003 0 40 DIAB C[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccccc2)s1 8914865 QMPWZOOQBQOZLI-LBPRGKRZSA-N 324.409 4.334 0 40 DIAB O=Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl 11692839 WJTHBRGUORTSCZ-VMPITWQZSA-N 321.159 4.425 0 40 DIAB CCCc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12328637 MZGFKCPFLNSSKE-UHFFFAOYSA-N 313.420 4.127 0 40 DIAB Cc1nc2ccccc2nc1SCC(=O)c1ccc(F)cc1 12983422 FITAIECHWYGQAU-UHFFFAOYSA-N 312.369 4.052 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 13708789 BJMXSPSLMFQTAR-HNNXBMFYSA-N 317.388 4.196 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710408 MNUBTGSVHVOZNE-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 14378742 UPLFHGIYGZODHK-UHFFFAOYSA-N 311.381 4.030 0 40 DIAB C[C@@H]1CCc2c(sc3c2[C@H](c2cccs2)CC(=O)N3)C1 15085200 NGZJCMMKHFMZST-KOLCDFICSA-N 303.452 4.409 0 40 DIAB Cc1cc(=O)oc2c3c(ccc12)OCN([C@@H](C)c1ccccc1)C3 20610184 RVCNAEPNLZBBQS-AWEZNQCLSA-N 321.376 4.015 0 40 DIAB biogenic COc1ccccc1CN(C)C(=O)c1ccc(C(C)(C)C)cc1 22517660 DCMQNQILKUMVLQ-UHFFFAOYSA-N 311.425 4.265 0 40 DIAB CSc1nnc(C(C)(C)C)c(OCc2ccc(Cl)cc2)n1 27028945 UQRUHQPIPDBTCJ-UHFFFAOYSA-N 323.849 4.123 0 40 DIAB Cc1cc(OCC(=O)Nc2nc(C)c(C)s2)ccc1C(C)C 28228202 DUXUJGRFOQVWFQ-UHFFFAOYSA-N 318.442 4.209 0 40 DIAB CCC(CC)C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28229555 PXOXHEIOLLYDLJ-UHFFFAOYSA-N 321.424 4.459 0 40 DIAB Cc1cccc(Cn2cc(NC(=O)c3ccc(C)c(C)c3)cn2)c1 28574446 LRKHZGDKAVSOQS-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 29515433 UDOKTPALCQSFLA-CHWSQXEVSA-N 314.454 4.237 0 40 DIAB Cc1ccccc1[C@H](NC(=O)Cc1ccccc1)c1ccccc1 30755610 OEAHPPJFAHWDIK-JOCHJYFZSA-N 315.416 4.443 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(Br)c1nc3ccccc3nc12 32254105 XAACBLJUIAGXCN-RFAUZJTJSA-N 303.203 4.137 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCO2 32787466 CLPSPJIZMROSMF-UHFFFAOYSA-N 322.191 4.110 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)[nH]1 32817840 HVSSVAAXZHQWMW-JTQLQIEISA-N 310.319 4.141 0 40 DIAB O=C(NCc1cccc(Oc2ccc(F)cc2)c1)c1ccco1 38679893 HXFCJMOSLIUXCT-UHFFFAOYSA-N 311.312 4.141 0 40 DIAB CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C=O)cc2)c1 40449492 LCWCQKZAPAAOBS-UHFFFAOYSA-N 311.381 4.191 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccccc1C 59267343 HMBONLPZVGXPMY-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCn1cc(NC(=O)c2sccc2-c2ccc(F)cc2)cn1 65844166 GQMRNLQIBYDHNW-UHFFFAOYSA-N 315.373 4.023 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)n2c1 71459219 HBURVINNIGDNAO-UHFFFAOYSA-N 307.397 4.327 0 40 DIAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCCC[C@@H]1c1ccncc1 71824393 GUQLVRSEEAIURI-XUVXKRRUSA-N 320.436 4.329 0 40 DIAB O=C(Cc1cccc(Br)c1)Nc1ccccc1Cl 72064224 ZRIUYANRTXMKSV-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB COc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1Cl 72093990 CGUBJJLRNRAGEB-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2sccc2C)cc1 74518707 LUWCPGBRRLNNGG-HOTGVXAUSA-N 315.438 4.015 0 40 DIAB CC(C)[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccn1 95437380 LMPVAGMMIDOACK-MRXNPFEDSA-N 324.346 4.309 0 40 DIAB Cc1nnc(CCCNc2ccc3nc(C(C)C)sc3c2)o1 95467452 WBLBXJJMUGZHFN-UHFFFAOYSA-N 316.430 4.156 0 40 DIAB CC(C)Cc1nnc([C@H](C)Sc2nncc3ccccc23)o1 97377693 ZAUBCEGUURVIRL-NSHDSACASA-N 314.414 4.065 0 40 DIAB O=C(/C=C/c1cccs1)N1CCS[C@H](c2ccco2)CC1 207005513 XMQKOAIOQGYMTO-NFAHFFEMSA-N 319.451 4.061 0 40 DIAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1 225712546 NRRVDWKZVSRMSP-RDTXWAMCSA-N 305.418 4.009 0 40 DIAB COc1ccc(NC(=O)C2(C)CCCC2)cc1C(F)(F)F 225787323 LYAAEUWOJJBABX-UHFFFAOYSA-N 301.308 4.233 0 40 DIAB Cc1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 226307971 CTGQNMVTZRUANO-UHFFFAOYSA-N 319.359 4.278 0 40 DIAB Cc1ccc(/C=C/C(=O)NCCSc2ccc(C)cc2)cc1 408544651 IILYRMJBLGZVIX-FMIVXFBMSA-N 311.450 4.225 0 40 DIAB O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCCC2)c1 2515082 ZSPWZJCYRYSRIO-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 2740529 BPEUKPGNBOAOME-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CCC2 3598181 ZGIPZXMTYBLFKQ-UHFFFAOYSA-N 301.386 4.045 0 40 DIAB Cc1cc(-c2sccc2Br)nc(-n2cccc2)n1 4088712 VQIMBKUYHUCYOX-UHFFFAOYSA-N 320.215 4.067 0 40 DIAB C(=C/c1nn2c(-c3cccs3)nnc2s1)\c1ccccc1 4939258 BNTJEDYYQHHVSC-CMDGGOBGSA-N 310.407 4.085 0 40 DIAB C[C@@]12CC[C@H](O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5029795 CGAUTMWHFOZKBU-VEXZJRQHSA-N 306.490 4.141 0 40 DIAB O=C(OCc1ccccc1Oc1ccccc1)c1ccccn1 5059868 REPMTFQBTKSVHS-UHFFFAOYSA-N 305.333 4.231 0 40 DIAB Cc1ccc(Oc2ncccc2C(=O)Nc2cc(C)on2)c(C)c1 5212413 SYVWLWMRLMAMLN-UHFFFAOYSA-N 323.352 4.039 0 40 DIAB Cc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 5627891 QBZYCWHCPXAEHF-UHFFFAOYSA-N 321.424 4.281 0 40 DIAB S=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12 6512796 JJRAETHZTYXMNJ-UHFFFAOYSA-N 318.814 4.322 0 40 DIAB COc1ccc(SCC(=O)NC(C)(C)CC(C)(C)C)cc1 7310556 MZOTXBLXTSXBBO-UHFFFAOYSA-N 309.475 4.118 0 40 DIAB c1ccc2c(CSc3nnnn3C3CCCC3)cccc2c1 8327939 DETAHKMNDMILCA-UHFFFAOYSA-N 310.426 4.234 0 40 DIAB O=C(CSc1ccccc1)Nc1ccc2scnc2c1 10217590 VDBUXYOOTAEVMR-UHFFFAOYSA-N 300.408 4.027 0 40 DIAB Cc1ccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)c(C)c1 15780325 BFUBSBGFCQKTCQ-UHFFFAOYSA-N 319.368 4.053 0 40 DIAB C[C@@H]1CCCN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)[C@@H]1C 19496685 RYNAYTUYWPFNAP-CPUCHLNUSA-N 313.445 4.035 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1 23976105 SCOLMFXCNQCHJM-YOEHRIQHSA-N 313.397 4.167 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2c(Cl)cccc2Cl)c1 43209888 VFKNECZEVVIUKI-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 46894885 LNXRHMPABUSWAH-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB COc1ccccc1NC(=O)Nc1ccc(OC(C)C)cc1 51348080 JCOJFTZJBKJMAK-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB O=C(NCCc1cccc(Cl)c1)Nc1cccc2[nH]ccc12 58317057 TZQYNWPMXRMODA-UHFFFAOYSA-N 313.788 4.186 0 40 DIAB O=C(O)c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12 71571854 ONLXSUSSYXVADL-UHFFFAOYSA-N 314.344 4.367 0 40 DIAB C[C@@H](Nc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 72207701 WQPKSDKSNQDIEE-CQSZACIVSA-N 304.434 4.134 0 40 DIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 72215196 UZFOCZRKEFAVNH-DZGCQCFKSA-N 319.449 4.046 0 40 DIAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(Cl)cccc12 98213591 RAOXAJCTRQTUEV-UHFFFAOYSA-N 322.836 4.034 0 40 DIAB C[C@H]1CC(=O)C[C@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C 118913827 UXYRZJKIQKRJCF-YNVMMVBGSA-N 304.474 4.205 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)c1ccccc1 223265381 TZFLXCOVHCGAJS-CVEARBPZSA-N 323.436 4.210 0 40 DIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1C 223638413 RXWRFXTUFYUQQR-INIZCTEOSA-N 311.425 4.122 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(OC)c1 224462914 MWTGSDHSPNIGCX-CRAIPNDOSA-N 321.461 4.185 0 40 DIAB CC[C@H](NC(=O)CCc1ccccc1)c1ccc(OC)c(C)c1 225093036 GWLCHUZYGDSFMZ-SFHVURJKSA-N 311.425 4.204 0 40 DIAB Cc1ccnc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 225496132 CQSSTNAMYSYUHM-MRXNPFEDSA-N 313.470 4.464 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C 225673368 IZHNTFOSGXUBHO-LJQANCHMSA-N 319.445 4.318 0 40 DIAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 409018534 XDUSDOVVPLUXFO-QQMDNXKGSA-N 307.440 4.243 0 40 DIAB CCCN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)c2ccccc21 409109605 IBLLMDYPJGGJAY-UVTDQMKNSA-N 313.784 4.343 0 40 DIAB Cc1nc2cc(NC(=O)NC(C)(C)CC(C)(C)C)ccc2n1C 479411 WGQQGEVDBXOCTP-UHFFFAOYSA-N 316.449 4.218 0 40 DIAB CC(C)Cc1csc2[nH]c(=S)n(-c3ccccc3)c(=O)c12 1247374 PXJDDIRPOWDLJR-UHFFFAOYSA-N 316.451 4.308 0 40 DIAB FC(F)(F)c1nnc(-c2ccccc2)nc1Oc1ccccc1 1390221 VVHDGOHGCRRHHF-UHFFFAOYSA-N 317.270 4.350 0 40 DIAB Cc1cc(-c2noc(Cc3ccccc3)n2)c2ccccc2n1 1426592 PSQPZSYSGIRRKN-UHFFFAOYSA-N 301.349 4.184 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)COc1ccccc1Cl 3602857 BIMILWSDPKZAHE-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CC(=O)O[C@H]1C[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 4473145 SBKMXGVIXAFDHO-DLBZAZTESA-N 317.772 4.112 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Nc2c(C)cccc2C)n1 6810450 CKCXMKKGKHEYSC-UHFFFAOYSA-N 321.833 4.111 0 40 DIAB Cc1cccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 7037021 PXLVBXKONFFVQB-IBGZPJMESA-N 311.425 4.277 0 40 DIAB CC(C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687278 FVPSVXQQTVIURH-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCCC1 7687462 VMOXDPDQAPCPFL-UHFFFAOYSA-N 315.800 4.155 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1SC 8041392 FPJXUUWLUTUTKL-CQSZACIVSA-N 319.401 4.344 0 40 DIAB Cc1cc(C)c(NC(=O)CC2(C(=O)O)CCCCC2)c(Cl)c1 8919966 MKFSMYPFESBTGR-UHFFFAOYSA-N 323.820 4.321 0 40 DIAB Cc1csc(NC(=O)c2cc(C3CC3)nc3ccccc23)n1 8936154 PVABCMXXONXYSK-UHFFFAOYSA-N 309.394 4.129 0 40 DIAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccccc1O 10212989 KTLBITWKWZGZRW-UHFFFAOYSA-N 319.360 4.147 0 40 DIAB Cc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 10464442 DBDLNNBQRSNEJS-UHFFFAOYSA-N 322.408 4.122 0 40 DIAB CC(=O)c1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 13682040 SOAJWQTXGIBMHP-UHFFFAOYSA-N 314.724 4.022 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 14784319 GAOQRRDDYUCKJU-UHFFFAOYSA-N 312.438 4.245 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 15198924 UTZZBNKUICBESB-CQSZACIVSA-N 321.804 4.446 0 40 DIAB COc1ccc(OC(=O)c2csc(-c3ccsc3)n2)cc1 21598941 IFINGWGLZYGEHH-UHFFFAOYSA-N 317.391 4.099 0 40 DIAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(OC(F)(F)F)cc1 31952801 RNSYCWOWAHOJIU-AAEUAGOBSA-N 313.319 4.119 0 40 DIAB CN(C(=O)c1ccccc1)[C@@H](c1cccc(F)c1)c1ccccn1 69811532 RCDOZTOHMUTYFL-IBGZPJMESA-N 320.367 4.082 0 40 DIAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCC2)nc1 72213845 VCWRQNASWUEWCY-GOSISDBHSA-N 321.424 4.023 0 40 DIAB CC(=O)N1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217696 TVAXMOAGYFWZQD-KRWDZBQOSA-N 312.438 4.306 0 40 DIAB S=C(NCc1cccs1)N[C@H]1CCc2cc(Cl)ccc21 84442230 LXMRBSNETWXFID-AWEZNQCLSA-N 322.886 4.053 0 40 DIAB CO[C@@H](C)c1cccc(NCc2nccn2Cc2ccccc2)c1 88532830 NDZXFRHKKFZVMM-INIZCTEOSA-N 321.424 4.251 0 40 DIAB CC[C@H](NCc1ccncc1)c1ccccc1Br 89947910 AQOSKWJJEZWNHY-HNNXBMFYSA-N 305.219 4.085 0 40 DIAB Cc1cccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225017650 WCOQSUOVGRZFGH-SFHVURJKSA-N 312.409 4.367 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCCSc1ccccc1 225302309 QSRSQRKFANAPQL-UHFFFAOYSA-N 319.857 4.181 0 40 DIAB Cc1ccnc(N(C(=O)OC(C)(C)C)C2Cc3ccccc3C2)c1 228948657 XSPHJUXQOGWTMH-UHFFFAOYSA-N 324.424 4.299 0 40 DIAB O=C(c1cc(Cl)cc(F)c1Cl)C(F)(F)Br 308809691 PUNCEAKGJUHOGH-UHFFFAOYSA-N 321.907 4.303 0 40 DIAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc2ccccc2o1 575620711 PQWAGZVEAIBEGC-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB C=Cc1ccccc1Oc1ccc(I)cn1 685937265 FFZOVMXBEBJXNI-UHFFFAOYSA-N 323.133 4.122 0 40 DIAB O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)[C@@H]1C[C@@H]1F 1520658088 KQTBAQYWHXPIPI-CVEARBPZSA-N 306.340 4.198 0 40 DIAB Cc1csc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 2086865008 ZSUBVJOSOKCFTL-UHFFFAOYSA-N 317.389 4.116 0 40 DIAB CCc1ccc(C(=O)COC(=O)c2cccc3ccccc23)cc1 482380 VELWNGXBZNXBDZ-UHFFFAOYSA-N 318.372 4.442 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 512860 CQIOBMIMZRJEFM-UHFFFAOYSA-N 310.397 4.150 0 40 DIAB COc1ccc([C@@H](CC(=O)NCc2ccccc2)C(C)C)cc1 525153 CUZKQJAOAGLRHM-IBGZPJMESA-N 311.425 4.141 0 40 DIAB CCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1844615 SVAZFGIXXDRDQZ-UHFFFAOYSA-N 314.351 4.434 0 40 DIAB O=C(Cc1ccccc1)NC1c2ccccc2Oc2ccccc21 1865265 SPQKUYBZDCOBAE-UHFFFAOYSA-N 315.372 4.241 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2c(C)c1Cl 2230661 MFBJDZHOGWNGIV-UHFFFAOYSA-N 319.832 4.295 0 40 DIAB biogenic Cc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 2592594 FNTCJHFOEALLPD-UHFFFAOYSA-N 305.175 4.402 0 40 DIAB Fc1ccc(CSc2nnc(-c3ccco3)o2)c(Cl)c1 2635919 KPRKJJBGHTWMPT-UHFFFAOYSA-N 310.737 4.414 0 40 DIAB Cc1ccc(OCCn2c([C@H]3CCCO3)nc3ccccc32)cc1 4386872 ZTIUXOWJDFTLEV-LJQANCHMSA-N 322.408 4.275 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1 4696113 VLYXUTAVDWHILM-UHFFFAOYSA-N 317.816 4.124 0 40 DIAB CCCCC1=N[C@H]2Sc3c(OC)ncnc3[C@H]2C2=C1CCC2 6309792 HYHRKZCFCQWYHI-DYVFJYSZSA-N 315.442 4.126 0 40 DIAB CCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 7261732 SWYXIXWNHAWOGU-UHFFFAOYSA-N 317.404 4.303 0 40 DIAB CCc1nnc2c(NC3CCCCCCC3)nc3ccccc3n12 7504155 KMUVYNZSZNMLKA-UHFFFAOYSA-N 323.444 4.365 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 7642640 UILDKAJHFNCDST-UHFFFAOYSA-N 303.361 4.224 0 40 DIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 9140443 OTDLPIZVGZEQGI-UHFFFAOYSA-N 318.829 4.029 0 40 DIAB CCc1nnc(-c2cc3ccccc3n2CCc2ccccc2)o1 9651377 BHEJFYKBMUWHNI-UHFFFAOYSA-N 317.392 4.496 0 40 DIAB Cc1cc(C)c(OCC(=O)Nc2ccc3oc(C)nc3c2)c(C)c1 12764801 OYBRJFKLCMPUCL-UHFFFAOYSA-N 324.380 4.079 0 40 DIAB CC(=O)c1ccccc1OCCSc1cnc2ccccc2n1 12949378 UJPIZWGHOOGEFP-UHFFFAOYSA-N 324.405 4.004 0 40 DIAB CCOc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 13063648 KJBNFSOBKCEDIY-ZSZQSSIHSA-N 301.430 4.030 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CCc2cc3ccccc3nc21 15841781 CSWGKNMLIIOHOO-UHFFFAOYSA-N 323.783 4.483 0 40 DIAB CCn1ncc(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C 19523922 UXBMIMQTOMEVBN-FQEVSTJZSA-N 323.484 4.371 0 40 DIAB COc1ccc(NCCOc2cc(C)cc(C)c2)cc1Cl 19738091 FMUMELDTLSHNSI-UHFFFAOYSA-N 305.805 4.456 0 40 DIAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20137431 IFPYBTPFGGEVFS-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1 21789628 AEFREVAQGMOMKV-LBPRGKRZSA-N 305.805 4.208 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC)cc1 22511082 VNBFIZWVYOCKEO-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB Cc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)cc1 25285583 SQNRZNNLHQKHKZ-UHFFFAOYSA-N 300.745 4.277 0 40 DIAB CC[C@](C)(CCNC(=O)c1cccs1)c1ccccc1OC 26961873 RNKRRPIHCUOSEZ-GOSISDBHSA-N 317.454 4.245 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 27277910 YTVSILKTFCCTHG-YGRLFVJLSA-N 318.804 4.189 0 40 DIAB CCOC(=O)[C@@H]1Sc2ccccc2N[C@@H]1c1ccc(F)cc1 27526288 ZYEVIBONAYZRHO-HZPDHXFCSA-N 317.385 4.016 0 40 DIAB Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36621121 DWHLLCDRHNPLQF-SFHVURJKSA-N 312.388 4.181 0 40 DIAB O=C(Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1 38567344 MOIKKEOQPQAHBX-AWEZNQCLSA-N 300.789 4.361 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1OC 38755574 OPYCQAGJOSMPJK-INIZCTEOSA-N 313.397 4.108 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1 40106993 VTVYCGWXQXUBQX-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nncc3ccccc13)C2=O 100928252 XJNZKZAAIBPJHU-JOQOYGCGSA-N 312.438 4.116 0 40 DIAB Cc1nn2c(O)cc(-c3ccccc3)nc2c1-c1ccc(F)cc1 102705968 MUPCVEDGYHSVTP-UHFFFAOYSA-N 319.339 4.216 0 40 DIAB CCOc1ccc(CNc2ccccc2)cc1Br 106979737 VRIYPMORFOTXAZ-UHFFFAOYSA-N 306.203 4.460 0 40 DIAB COc1cc(Cl)c2[nH]c(-c3ccc(Cl)c(N)c3)nc2c1 216917868 VDNAVQWSCXMTKM-UHFFFAOYSA-N 308.168 4.128 0 40 DIAB COc1cc(C)c(C(=O)NCc2ccc(F)cc2)cc1C(C)C 225662687 MQNZKEVCIQZKHB-UHFFFAOYSA-N 315.388 4.196 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251192546 CTZNUJIBAUPQPV-HSCHXYMDSA-N 323.436 4.302 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 260812503 DMGVFFUMIXHRDH-YZVOILCLSA-N 319.445 4.398 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C)ccc1OC 408680587 NWIRCVGGNIRDJC-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CCCN1C(=O)/C(=C\c2ccccc2OCC)c2ccccc21 409112924 MLDUOHBRFQTBDX-VKAVYKQESA-N 307.393 4.383 0 40 DIAB CCc1occc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 684657494 NWBTVGWAUJGPTA-MRXNPFEDSA-N 323.396 4.004 0 40 DIAB CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cnc2c(F)ccc(F)c2c1 1527729153 BNYYVGZYCYXNRD-ZUZCIYMTSA-N 318.367 4.068 0 40 DIAB CC(=O)N1N=C(c2ccc(OC(C)C)cc2)C[C@@H]1c1ccccc1 4247915 QEOIKPRWUOURDP-HXUWFJFHSA-N 322.408 4.171 0 40 DIAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)C3CC3)cc12 4340788 RXCZPGQIONIGHZ-UHFFFAOYSA-N 320.344 4.084 0 40 DIAB biogenic CCSc1ccccc1C(=O)NCc1ccccc1Cl 4731535 GEIFRMQTTVVCQB-UHFFFAOYSA-N 305.830 4.382 0 40 DIAB CCCc1cc(=O)[nH]c(SCc2ccc(C(C)(C)C)cc2)n1 5182280 PSELNLFKCJSHLB-UHFFFAOYSA-N 316.470 4.312 0 40 DIAB CC(C)c1ccc(Cn2c([C@H](C)NC=O)nc3ccccc32)cc1 5235863 CBSHNTBZXDWVKP-HNNXBMFYSA-N 321.424 4.015 0 40 DIAB CCCCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1 5597060 KOLPGWUNJZNRFQ-UHFFFAOYSA-N 312.365 4.171 0 40 DIAB CC(C)[C@H](CCNC1CCN(C)CC1)c1ccc(Cl)cc1 6670270 VGJCPUJNUJHWDU-SFHVURJKSA-N 308.897 4.154 0 40 DIAB CCOc1ccc(C(=O)O)cc1/C=N/c1cc(Cl)ccc1C 6963860 TVZKIBZZPUYLCD-VXLYETTFSA-N 317.772 4.496 0 40 DIAB Cc1ccccc1CN(C)C(=O)Nc1nc2ccccc2s1 9710779 YZBJVYGMXIOQOZ-UHFFFAOYSA-N 311.410 4.269 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)NCC1(c2ccccc2)CCC1 10221948 MYBJKCXPPSADAZ-UHFFFAOYSA-N 318.420 4.328 0 40 DIAB Cc1ccc(CSCC(=O)N2c3ccccc3C[C@@H]2C)cc1 10449638 QJWNAFYXRHBLKL-HNNXBMFYSA-N 311.450 4.206 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1cc(C)nc2onc(C)c12 14207962 NOAPIESTMAKCFN-UHFFFAOYSA-N 323.396 4.217 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC1=CCCCC1 14397439 NNMJTMZVAYCYFD-ZDUSSCGKSA-N 307.821 4.114 0 40 DIAB Cc1nc2ccc(-c3ccc(-n4ccc(=O)cc4)cc3)cc2s1 16756350 JLEXCEQLBAPMLB-UHFFFAOYSA-N 318.401 4.423 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1(C)C 22007378 MLQJCBXTOFLXOD-LSDHHAIUSA-N 323.383 4.143 0 40 DIAB C[C@H](NC(=O)C1CCCCC1)c1cccc(Br)c1 22251155 JZDKWMWAJVIBJE-NSHDSACASA-N 310.235 4.207 0 40 DIAB CCC(CC)C(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 23042559 RWNXANLKZZDINB-AWEZNQCLSA-N 316.426 4.455 0 40 DIAB Brc1ccc(CNc2cnc3ccccc3n2)s1 26726463 RSKZMLGCBGXECK-UHFFFAOYSA-N 320.215 4.066 0 40 DIAB Cc1cccc(-n2c(C)nnc2SCc2ccc(F)cc2)c1 44176942 UQTGNUYYKPCEIC-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)c1cnc2ccccc2c1 45028936 DEYXFNKCNKQUFW-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB C[C@H](c1cccnc1)N(C)C(=O)N[C@H](c1ccccc1)C1CCC1 69848924 PFGVITSCNSIOBD-DNVCBOLYSA-N 323.440 4.325 0 40 DIAB Fc1ccc(Cl)cc1NC(=S)Nc1ccc2c(c1)OCO2 71761515 YSYLURUDKYTVCJ-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB CCSc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72217188 RMXZTDMPALRYPE-INIZCTEOSA-N 312.438 4.171 0 40 DIAB FC(F)Oc1ccc(-c2csc(-c3ccncc3)n2)cc1 78505554 LSCBSLAWPBJKHN-UHFFFAOYSA-N 304.321 4.474 0 40 DIAB COC1CCC(N(C)C(=O)CCCc2cc(C)sc2C)CC1 84081863 JKBUFQRUSUAWIV-UHFFFAOYSA-N 323.502 4.104 0 40 DIAB CCc1nnc([C@H](C)SCc2ccc(OC(C)C)cc2)o1 95412909 PGQPUZDLTAEHNB-LBPRGKRZSA-N 306.431 4.414 0 40 DIAB C[C@H](N[C@H](C)c1cc(Br)ccc1F)c1ccncc1 95419211 YOGYUVNSDATQLN-WDEREUQCSA-N 323.209 4.395 0 40 DIAB CC(C)C[C@H](NCc1ccccc1-n1ccnc1)c1ccccn1 95420787 ABQJKDKIRNUCKK-IBGZPJMESA-N 320.440 4.144 0 40 DIAB COc1cccc(F)c1C(=O)c1ccc(OC(C)(C)C)cc1 95916076 HSDULSHNIMRQGR-UHFFFAOYSA-N 302.345 4.243 0 40 DIAB O=C1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951713 NVSZUEYKAZDGCT-SFHLNBCPSA-N 305.421 4.024 0 40 DIAB biogenic COCc1ccc(C(=O)N(c2ccc(F)cc2)C(C)C)cc1 95957909 WJTJIBIMIIQRTQ-UHFFFAOYSA-N 301.361 4.027 0 40 DIAB Cc1nnc(-c2ccccc2-c2cccc(-c3cc[nH]n3)c2)o1 102584767 HHXSFFYMZRJFJW-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB Cc1ccc(NC(=O)CC[C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1 103212905 FCOGMMQNZJTDOD-RZQQEMMASA-N 313.441 4.355 0 40 DIAB C[C@@H](OC(=O)c1cccc(N)c1)c1ccc2c3c(cccc13)CC2 216850529 MZOLDGHKEPPNNP-CYBMUJFWSA-N 317.388 4.439 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)c2cc3cccc(OC)c3o2)cc1 223583914 HCEIKZFKXOCWIE-CYBMUJFWSA-N 323.392 4.495 0 40 DIAB COc1ccc(Cl)cc1C[C@@H](Sc1ccccc1)C(=O)O 225121435 ZITFHHVFECHZJG-OAHLLOKOSA-N 322.813 4.137 0 40 DIAB S=C(NCCSC1CCCC1)Nc1ccc(Cl)cc1 225467247 QUISKJYFPTUDGJ-UHFFFAOYSA-N 314.907 4.302 0 40 DIAB CC(C)Oc1cccc(NC(=S)NC2(C)CCCCC2)c1 225867959 FBEQZDHBFWHEPC-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 409016218 FLKFGDWUKMCECX-XNTDXEJSSA-N 313.378 4.391 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N1CCc2sc(Cl)cc2C1 575615658 GSSGPOBDBVVVIU-UHFFFAOYSA-N 316.813 4.081 0 40 DIAB CCCn1c(-c2ccc[nH]c2=O)nc2cc(Cl)c(Cl)cc21 1386106 BWFTXGGVRFBQLJ-UHFFFAOYSA-N 322.195 4.108 0 40 DIAB C/C=C/C(=O)N1c2ccccc2C[C@H]1c1c[nH]c2ccccc12 1709006 COBVHQPLRWXCAW-GBVBSETHSA-N 302.377 4.374 0 40 DIAB CCOc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 3196663 NMHFCFGQJQCQNR-UHFFFAOYSA-N 316.357 4.086 0 40 DIAB CSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1 4678436 SERKUURELHQLBA-UHFFFAOYSA-N 309.438 4.421 0 40 DIAB CCOc1ccc2c(c1)sc(=N)n2Cc1ccc(Cl)cc1 4868205 XAWMOEVAFFFZQP-UHFFFAOYSA-N 318.829 4.283 0 40 DIAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@@H](O)C[C@H]12 4946303 YHLRRRCAVBZXEW-ZNLXNUBKSA-N 300.442 4.302 0 40 DIAB CCCOc1cccc(-c2nc3cc(Cl)ccc3c(=O)o2)c1 5044054 BSAJBVCDOQKCTL-UHFFFAOYSA-N 315.756 4.297 0 40 DIAB Cc1cc(OC[C@@H](O)CN(C)C2CCCCC2)ccc1C(C)C 6008658 RHJQCYHOOZGEOK-SFHVURJKSA-N 319.489 4.123 0 40 DIAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccccc1 6936718 LVEGWQOWBCRPAL-ZDUSSCGKSA-N 300.427 4.133 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 7294554 LOAHFPYANGWCKV-NSHDSACASA-N 321.829 4.468 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1C 7670398 PCQNIINJWBOPSM-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(CCc1nc2ccccc2s1)NC1CCCCCC1 8085510 UYSATLUJJXJEHP-UHFFFAOYSA-N 302.443 4.068 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1Cl 12828629 XZFOEAWXRDLPRC-UHFFFAOYSA-N 324.808 4.457 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13708904 GKPUCWVPQMTIHI-CQSZACIVSA-N 321.376 4.254 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(F)c2)cc1C 13930833 NZXAMIQYPKEHHF-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB CC(C)OCCCNC(=O)c1cc2c(ccc3ccccc32)o1 13941637 IEENINHQPUFQDK-UHFFFAOYSA-N 311.381 4.131 0 40 DIAB COc1ccc2cc(C(=O)Nc3cccc(C)c3)c(C)nc2c1 16504267 OHFSXLHXEQQPQP-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)C(C)C)CC2)n1 19691131 MKRUWTXCXQVDLY-UHFFFAOYSA-N 322.452 4.419 0 40 DIAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1 21786485 QCTDRMVUGOKWCL-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CCCCNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 32740593 AANWJESRQIKRCF-OAHLLOKOSA-N 306.406 4.076 0 40 DIAB CCN(C(=O)c1ccc(C)s1)[C@@H](C)c1cccc(OC)c1 36396705 SAEFUKBQHJRRCC-ZDUSSCGKSA-N 303.427 4.288 0 40 DIAB CSc1nnc(S[C@@H](C)C(=O)c2cc(C)ccc2C)s1 36821727 PIQZCOQWEUBTLL-JTQLQIEISA-N 324.496 4.240 0 40 DIAB CC[C@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 40095217 JOMWWJGBHUYMFO-NSHDSACASA-N 311.223 4.103 0 40 DIAB CCOc1ccc(/C(=C/C(=O)O)c2ccc(Cl)cc2)cc1 41516513 PQOCUFKLYQOQIJ-LFIBNONCSA-N 302.757 4.255 0 40 DIAB Cc1cc2nc(-c3cncc(Br)c3)[nH]c2cc1C 48356694 IRGSTJURBAWVLZ-UHFFFAOYSA-N 302.175 4.004 0 40 DIAB COCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 58431533 MWHPEDSWIYVBAH-KGLIPLIRSA-N 315.335 4.140 0 40 DIAB C[C@H](c1ccco1)N(C)C(=O)c1cccc(Oc2ccncc2)c1 71903007 CBRNFJWIOUBWDA-CQSZACIVSA-N 322.364 4.300 0 40 DIAB C[C@@H](Nc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 72207683 MCBPVMCGHKCZAR-HUUCEWRRSA-N 304.434 4.134 0 40 DIAB c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCCC2)cc1 72216092 AANDTDZMPOIEJR-FQEVSTJZSA-N 321.468 4.409 0 40 DIAB Cc1cc(OCc2ccccc2)ncc1C(=O)c1ccccc1 72223421 POEBOYCDOCKNFO-UHFFFAOYSA-N 303.361 4.200 0 40 DIAB O=C(Nc1cccc2ccccc12)[C@@H]1CCOc2ccccc21 76764508 IEISIKJMGQXQSV-QGZVFWFLSA-N 303.361 4.345 0 40 DIAB CC(C)(C)C(=O)N1CC=C(c2cccc(C(F)(F)F)c2)CC1 79006819 RQWZGRQNTVBGJS-UHFFFAOYSA-N 311.347 4.367 0 40 DIAB O=C(c1cccc(Br)c1)c1ccnc2ccccc12 83252636 GXMPEGXOVNRXIH-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB COc1ccc([C@@H](Nc2nccc(C)n2)c2ccc(F)cc2)cc1 95960465 HUZQHAGPVJCAOA-SFHVURJKSA-N 323.371 4.134 0 40 DIAB CCOc1ccc(Oc2ccc(NCc3nccn3C)cc2)cc1 96970787 HWHYPAINPWJWIY-UHFFFAOYSA-N 323.396 4.223 0 40 DIAB CC(NC(=O)C1[C@@H]2CCC[C@@H]12)(c1ccccc1)c1ccccc1 101474225 YBIGRZXQYWDHBU-QZTJIDSGSA-N 305.421 4.112 0 40 DIAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199716742 AYLWPQBJZLREHM-UHFFFAOYSA-N 314.385 4.472 0 40 DIAB Cc1nc(C2CC2)ncc1-c1nnc(-c2cccc(Cl)c2)o1 216608281 SUHSAPDACDUFMA-UHFFFAOYSA-N 312.760 4.033 0 40 DIAB Cc1cccc(OCCNC(=O)Nc2cccc(Cl)c2)c1C 223961256 NAHMKNISMPRLRG-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB C[C@H](NC(=O)Cc1cccs1)c1ccc(C(C)(C)C)cc1 224522184 XTGZUBODQSCGIL-ZDUSSCGKSA-N 301.455 4.466 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225291560 JMUFIVYIQYKJLT-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(C)cn1)c1ccc(C)cc1C 225717195 HWURAAGBLMTABZ-MRXNPFEDSA-N 313.470 4.445 0 40 DIAB CCOC(=O)c1ccc(C(=O)[C@@H](CC)c2ccccc2)s1 575361698 HLNIONCNNFPJIE-ZDUSSCGKSA-N 302.395 4.301 0 40 DIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccs1 55303 GXTYCIXGTOUVQS-GHXNOFRVSA-N 324.188 4.399 0 40 DIAB Cc1cccc(-c2nnc3sc(-c4ccc(C)cc4C)nn23)c1 1018211 DTAYVJBVVLCAEH-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB CCCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OC 1282618 ABAAARGZLMTOHM-UHFFFAOYSA-N 317.410 4.249 0 40 DIAB O=C1C[C@H](c2ccc(Cl)cc2)S[C@H]2Nc3ccccc3N12 1470122 ODADNGYTFVFHAX-ZBFHGGJFSA-N 316.813 4.260 0 40 DIAB Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1C 1620493 QGDKQJBQKFFOBL-UHFFFAOYSA-N 322.360 4.392 0 40 DIAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccccc1 4616428 VYMQQCVHZWUDCW-RQZCQDPDSA-N 307.393 4.199 0 40 DIAB Clc1ccc(CNCc2ccc3c(c2)OCO3)cc1Cl 5019386 FCIWLQIEFXWFAU-UHFFFAOYSA-N 310.180 4.012 0 40 DIAB CCc1nc(Nc2ccc(O)cc2)c2oc3ccccc3c2n1 5215499 MTLVPEJAQVGQPO-UHFFFAOYSA-N 305.337 4.388 0 40 DIAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)cc1Cl 5323384 MKJHVLCYMJTFNT-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB Cc1cccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)c1C 6249798 RIVNLQOXIVSGDD-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB COc1ccc2oc(C(=O)N[C@H](C)c3cccs3)c(C)c2c1 6849347 WLAIRIAHCOOOGL-LLVKDONJSA-N 315.394 4.302 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(F)cc1 7706038 FQFGSVUUGJFGSK-NSHDSACASA-N 314.385 4.269 0 40 DIAB Cc1cc2nc(NCc3ccccc3Cl)c3ccccc3n2n1 7777095 YJFDVVBFXXJIEQ-UHFFFAOYSA-N 322.799 4.456 0 40 DIAB O=C(NOCc1ccccc1)c1ccc(-c2ccccc2)cc1 8096680 BZRVWZYYJCNPBG-UHFFFAOYSA-N 303.361 4.215 0 40 DIAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 8774930 ZJMOIBNAERSUKC-HNNXBMFYSA-N 322.389 4.333 0 40 DIAB CC(=O)N(Cc1ccco1)c1nc2c(Cl)cccc2s1 10527094 FUTIIYMSGUDADI-UHFFFAOYSA-N 306.774 4.096 0 40 DIAB CSc1ccccc1C(=O)NCCCn1ccc2ccccc21 12555746 GCLGNHUKYRJRSY-UHFFFAOYSA-N 324.449 4.183 0 40 DIAB COc1ccc2[nH]c(=O)c(CNc3ccc(C(C)C)cc3)cc2c1 13561397 AUMNTHSYEFAKPY-UHFFFAOYSA-N 322.408 4.272 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 15977001 JPZNZIAYFQYAFR-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccccc1 20039613 KPRXFHBRVCRRKF-MSOLQXFVSA-N 311.425 4.420 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1 20484034 JXCGRORSSNXGEA-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 30163197 FJQWIOFRHTXFBO-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCCCCC1 32817731 DUTXFEWCCYAVBE-UHFFFAOYSA-N 310.441 4.453 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2F)[C@H](c2ccsc2)C1 36358872 CINCLXQUTDYLBE-NSHDSACASA-N 313.357 4.197 0 40 DIAB CCOc1ccccc1NC(=O)c1cc2cc(OC)ccc2o1 41306383 JQDRLRWTNJQFDO-UHFFFAOYSA-N 311.337 4.092 0 40 DIAB Cc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3)co2)cc1 58067555 AZWOYBFFXWPZAQ-JOCHJYFZSA-N 311.406 4.099 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](Cc2ccccc2)S1 71284575 BHLGRBMRSNPPDM-ZDUSSCGKSA-N 301.415 4.250 0 40 DIAB Cc1cc([C@H](O)c2ccccc2)cnc1NCc1ccccc1 72222333 ZRZWRTIYSIMIMU-LJQANCHMSA-N 304.393 4.084 0 40 DIAB CCc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 89284745 BEPUIFBQBDIYGM-UHFFFAOYSA-N 315.323 4.315 0 40 DIAB O=C(c1ccsc1)N(CCc1cccs1)Cc1ccoc1 90612282 UIYGGZVFGJTPQJ-UHFFFAOYSA-N 317.435 4.288 0 40 DIAB O=C([C@@H]1CCCc2ccccc21)N(CC(F)(F)F)C1CCC1 95963980 IDHXDRBCCPYGTK-OAHLLOKOSA-N 311.347 4.050 0 40 DIAB CN(Cc1nccs1)Cc1cnoc1-c1ccc(Cl)cc1 96501493 VZOAVROVBBAYHD-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB CC(C)=CC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206995946 MDXNPHBMPYVLHG-OAHLLOKOSA-N 309.862 4.313 0 40 DIAB CCOC(=O)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 216838608 YBASIFNGQXNQIK-UHFFFAOYSA-N 301.729 4.325 0 40 DIAB CCCOc1ccc(C(=O)NCCSC2CCCCC2)cc1 218980799 ZFKRWWUGGRMOLL-UHFFFAOYSA-N 321.486 4.271 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C 223471649 KSRCKMFVYCRXOX-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1cc2cccc(OC)c2o1 224096653 BEUZDSWRVDUMQM-CYBMUJFWSA-N 303.402 4.388 0 40 DIAB Clc1ccc(Br)cc1-c1nc2cnccc2o1 226281511 KSIWIQHZBSQZGP-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226365347 KQQZHGPGUVAGQN-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB CCc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260766433 JZZFSPWCMXTJIL-FSPWUOQZSA-N 323.465 4.233 0 40 DIAB COc1ccccc1OC(=O)c1cc(Cl)nc2ccccc12 482341 LSJXDAXOVGUNQV-UHFFFAOYSA-N 313.740 4.116 0 40 DIAB O[C@]12c3ccccc3[C@H]1CCCCCCCCCC21OCCO1 1634659 JIKKDOWIZOYPTG-XLIONFOSSA-N 316.441 4.239 0 40 DIAB Cc1cccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 1738030 PIEORWIIIKCHNV-UHFFFAOYSA-N 309.321 4.021 0 40 DIAB CN(C)CCC[C@@](C)(O)[C@H](Cc1ccccc1)c1ccccc1 2187351 VOSQYSATOBJONB-NHCUHLMSSA-N 311.469 4.106 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1ccc(C(F)(F)F)cc1 2514633 GOMYSXORGHLJOG-UHFFFAOYSA-N 319.326 4.142 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 2764078 XPXIICYRWDNJET-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CCOc1ccc2nc(N3CCc4ccccc4C3)sc2c1 4137867 MKSMBEKZQUUFNT-UHFFFAOYSA-N 310.422 4.258 0 40 DIAB CCCCCCC(=O)Nc1nnc(Cc2ccccc2F)s1 4178887 NPWUUEHVZSYGLI-UHFFFAOYSA-N 321.421 4.177 0 40 DIAB CCC[C@H](O)[C@@H](CC)N[C@@H](Cc1ccccc1)c1ccccc1 4777498 WCMLBOIVUKMLBK-HKBOAZHASA-N 311.469 4.500 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)no1 6761904 WMBBHEJDRPJERU-CHWSQXEVSA-N 318.804 4.368 0 40 DIAB FC(F)(F)c1nc(N2CCCCCC2)nc2c1CCCCC2 6814434 YKWFKHMEELHQAI-UHFFFAOYSA-N 313.367 4.145 0 40 DIAB c1ccc2cc(OCCNc3ncnc4sccc34)ccc2c1 8325541 QNQDNVFNRSSPAF-UHFFFAOYSA-N 321.405 4.335 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1c(C)cccc1C 8480732 ADCRUYGFHVFHND-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 8750058 VCRDPXJMWGXKFY-MRXNPFEDSA-N 304.340 4.484 0 40 DIAB O=C(Cc1ccc2ccccc2c1)N[C@H]1CCc2ccccc21 13021484 ZJEBCCUBXCKLEW-FQEVSTJZSA-N 301.389 4.186 0 40 DIAB COc1ccccc1OCCn1c(C2CC2)nc2ccccc21 13494382 ZMUAWVABDSACCA-UHFFFAOYSA-N 308.381 4.001 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](C)C1 13670337 PIWBJWCOJMBPNB-CABCVRRESA-N 303.446 4.010 0 40 DIAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 18245066 NGNHDKYUZUOJMK-HOTGVXAUSA-N 319.360 4.266 0 40 DIAB Cc1ccccc1CC(=O)Nc1ccc(Br)cc1C 19471792 WUFKJFSDTZJMIS-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CCc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20137566 ZDNBQUXOPGKSNB-UHFFFAOYSA-N 321.376 4.254 0 40 DIAB COC(=O)c1ccc(-c2nc3ccccc3s2)cc1Cl 20154441 XCOFTIFBGZJLOQ-UHFFFAOYSA-N 303.770 4.403 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1Cl 22532221 DINHPMLODLUMPI-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB Brc1ccc(Oc2ncnc3ccccc23)cc1 24339890 BIQASHAOMNOSOS-UHFFFAOYSA-N 301.143 4.185 0 40 DIAB CCc1ccc(-c2nc(C(=O)Nc3ccccn3)cs2)cc1 24581200 OBQXHWDTPMNJFP-UHFFFAOYSA-N 309.394 4.020 0 40 DIAB Cc1oc(-c2cccs2)nc1C(=O)N1CCCc2ccccc21 40128044 JPZZHUZRVVWIDN-UHFFFAOYSA-N 324.405 4.305 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)o1 42000952 LPFREVUQFHGDFT-YJBOKZPZSA-N 323.436 4.483 0 40 DIAB Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1 42143692 XVXIISPKZDCVBC-UHFFFAOYSA-N 304.724 4.487 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCc3ccccc32)c1 69634244 WSLLSYYEPKXNRS-INIZCTEOSA-N 323.436 4.475 0 40 DIAB CSc1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1 71761119 GXUXNWNNWVEBHH-UHFFFAOYSA-N 310.394 4.496 0 40 DIAB CCOc1ccc(N[C@@H](C)c2c(F)cccc2F)cc1CO 71948200 NOZNVOMFAHBQMA-NSHDSACASA-N 307.340 4.029 0 40 DIAB CC(C)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216663 BBQZKWDVLNILBK-SFHVURJKSA-N 301.478 4.397 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3ocnc3C)cn2)cc1C 78986064 PUKNXRMBXAKCCY-UHFFFAOYSA-N 323.352 4.039 0 40 DIAB Cc1ccc(Cl)cc1[C@@H](O)c1ccccc1Br 95730128 JVUOWHJELCGDSD-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CCCCC[C@H]1OC[C@]2(COC(C)=O)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100742410 PXYJMKXLGSFPLG-PHAGKYIGSA-N 308.462 4.363 0 40 DIAB biogenic Cc1nc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2s1 108899489 UNRQYLHXHJEGEC-RWMBFGLXSA-N 300.427 4.370 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1C 224430142 GKOZPYSYVQDMQY-OAHLLOKOSA-N 305.462 4.402 0 40 DIAB CC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225604545 ZPCNXPAUCUZMLN-SFHVURJKSA-N 307.434 4.092 0 40 DIAB CO/C([O])=C(/c1ccccc1Cl)N1CCc2sccc2C1 1560410910 XEOYBEUFYXCSBZ-UHFFFAOYSA-N 320.821 4.163 0 40 DIAB CC(C)(CNC(=O)Nc1c(F)cccc1F)c1ccsc1 1565519473 VJGCEIIARWAFBB-UHFFFAOYSA-N 310.369 4.126 0 40 DIAB Oc1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 93558 CFWPGABBHWKXAC-UHFFFAOYSA-N 316.404 4.418 0 40 DIAB biogenic O=c1c2ccc(F)cc2sn1-c1cccc(Cl)c1Cl 1430595 ZAOYILIPHAHSJK-UHFFFAOYSA-N 314.168 4.498 0 40 DIAB CCc1ccccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 2160538 SOIQZTKYBWRCKA-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic Cc1cccc(C)c1OP(N)(=O)Oc1c(C)cccc1C 2291765 RJUGZQFVEPFNDD-UHFFFAOYSA-N 305.314 4.445 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCCc2ccccc21 2630183 ITXUHRYENNJKAK-INIZCTEOSA-N 315.800 4.156 0 40 DIAB COc1ccc2oc(C(=O)Nc3cc(F)ccc3F)c(C)c2c1 3284360 YVYBDZDQWSLTFQ-UHFFFAOYSA-N 317.291 4.280 0 40 DIAB CC1CCN(Cc2nc(Cl)c3c4c(sc3n2)CCC4)CC1 3445980 DXAIMXMFLYCVIN-UHFFFAOYSA-N 321.877 4.065 0 40 DIAB C[C@H](O)c1ccc(C(C)(C)C)cc1NC(=O)c1cccs1 4733181 BCCFPQKRONJBQT-NSHDSACASA-N 303.427 4.351 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 5431293 FUQOMFWRJNYSFG-UHFFFAOYSA-N 311.381 4.123 0 40 DIAB CCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 7996294 SAWLVJIFLBDQQO-UHFFFAOYSA-N 317.439 4.184 0 40 DIAB Cc1cccc(CC(=O)Nc2ccc(Br)cc2F)c1 8382877 DWINGHDBWHEFBA-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCc2ccccc21 13017959 JMPUDDNWSXDKFL-PMACEKPBSA-N 305.421 4.374 0 40 DIAB Clc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1Cl 31943917 GXOQICRUNKHOGY-UHFFFAOYSA-N 321.163 4.308 0 40 DIAB O=C(Oc1ccc2c(-c3ccccc3)noc2c1)c1cccnc1 32104614 PMMSPFZWBJAARL-UHFFFAOYSA-N 316.316 4.109 0 40 DIAB CCOc1ccccc1CNC(=O)Nc1ccc(Cl)cc1 34389067 ZEYARNXQXLITJH-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl 35655375 BMWOLKMQGAUCJL-UHFFFAOYSA-N 304.180 4.428 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccccc1 38772352 ZVFXOYLFMUEEJW-YJBOKZPZSA-N 311.425 4.284 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 44904679 CNYDOWJECYSALL-DOTOQJQBSA-N 323.436 4.357 0 40 DIAB Cn1c(-c2ccccc2)c(C(=O)N2CCCC2)c2ccccc21 52603967 WXKIVWKFENIJOE-UHFFFAOYSA-N 304.393 4.081 0 40 DIAB Cc1ccc(C)c(C[S@](=O)CCCOc2ccc(F)cc2)c1 58132502 LAQAICYXZFAVRM-QFIPXVFZSA-N 320.429 4.160 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCc2ccccc21 58407118 XZDWPQISOLDHCJ-KRWDZBQOSA-N 321.420 4.095 0 40 DIAB CC[C@H](CNC(=O)c1ccc(OC)c(Cl)c1)c1ccccc1 61997276 FCZCKGYYZLCENN-CYBMUJFWSA-N 317.816 4.272 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)c1 72308825 NVDSQEUHZKENKS-TXPKVOOTSA-N 308.425 4.015 0 40 DIAB C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccccc1 72346753 FVSYTONOTZBKMN-KDOFPFPSSA-N 319.408 4.030 0 40 DIAB CCOC(=O)c1csc(Nc2cc(Cl)cc(Cl)c2)n1 95929216 RHFCTOYJTXUSCI-UHFFFAOYSA-N 317.197 4.370 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2nnc(SCC(C)C)s2)c1 224047654 BXZQBUUGFVBHKO-UHFFFAOYSA-N 321.471 4.155 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 224066022 NTNWRAMBFWQBRX-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB CCCOCc1cc(C(=O)Nc2ccccc2C)ccc1OC 224411656 HBGHATOOGRHCEJ-UHFFFAOYSA-N 313.397 4.183 0 40 DIAB C[C@@H](NC(=S)Nc1cccnc1)c1ccc(C(C)(C)C)cc1 225409091 IQFBPJLFERYMCT-CYBMUJFWSA-N 313.470 4.427 0 40 DIAB Cc1cccc2cc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)oc12 226034512 HDQXOLNSYFJZEZ-UHFFFAOYSA-N 321.376 4.477 0 40 DIAB C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 248382747 XYTAHKCVYAVMAD-PASDCYSWSA-N 324.468 4.052 0 40 DIAB CC(C)Oc1ccc(NC(=O)CSCc2ccccc2)cc1 408563772 PHJKWGLWLXQMNN-UHFFFAOYSA-N 315.438 4.346 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1Cl 52069 VIHZCQDBKACKTC-UHFFFAOYSA-N 321.833 4.492 0 40 DIAB CCOc1ccc(/C=C/C(=O)Oc2ccccc2OCC)cc1 144495 BCDJKLNTKKBYAE-SDNWHVSQSA-N 312.365 4.103 0 40 DIAB COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1 1779303 WRPNJFUWGAHNFQ-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB CC(C)(C)C(=O)COC(=O)C1c2ccccc2Oc2ccccc21 2632163 PFGJSVRGDUQZME-UHFFFAOYSA-N 324.376 4.083 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1Cl 3562311 FQNUFPXVXQTDGP-JXMROGBWSA-N 306.192 4.323 0 40 DIAB C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccccc1 4784089 BPOAWKQUNSIMJS-CQSZACIVSA-N 324.424 4.162 0 40 DIAB CCn1c(CNC(=O)c2ccccc2Cl)cc2ccccc21 4973458 UCOPKFMEDTWWHN-UHFFFAOYSA-N 312.800 4.245 0 40 DIAB CCCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 5458290 LKTFQSRAKKFUSR-UHFFFAOYSA-N 323.458 4.321 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 5717082 JVVIHPZSYDWLQB-UHFFFAOYSA-N 315.678 4.491 0 40 DIAB CCOc1cc2c(cc1[C@@H](C)c1ccc(OC)c(C)c1)OCO2 5841405 AMRTUKWKRWVFJJ-ZDUSSCGKSA-N 314.381 4.283 0 40 DIAB O=C(Nc1nc2c(Cl)cccc2s1)NC1CCCCC1 5897101 UGERKCCGUXSMJO-UHFFFAOYSA-N 309.822 4.404 0 40 DIAB c1ccc(OCc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 8042346 ZURAAVHWZVJIPG-UHFFFAOYSA-N 311.362 4.118 0 40 DIAB Cc1cccc(CC(=O)Nc2ccc(Br)cc2C)c1 8382878 QVJSLFDLEHWKJN-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1ccc2oc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2n1 8798649 GPVMAZPGIXZGLJ-UHFFFAOYSA-N 320.270 4.407 0 40 DIAB CC(C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9134408 IQZWPZGSJBVICR-UHFFFAOYSA-N 324.380 4.054 0 40 DIAB Cc1nc2ccc(NC(=O)Nc3ccccc3F)cc2s1 10220056 QOTPCSDVSDMDPW-UHFFFAOYSA-N 301.346 4.388 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1C 11636852 VYBTWINYGHPFES-GOSISDBHSA-N 313.397 4.108 0 40 DIAB Cc1cc(SCC(=O)N(C)c2ccccc2)nc2ccccc12 12659495 MZPZYBZLFOOGQP-UHFFFAOYSA-N 322.433 4.298 0 40 DIAB Clc1cc(-c2csc(N3CCOCC3)n2)c(Cl)s1 14168671 GCCMSQFLUBJGOK-UHFFFAOYSA-N 321.254 4.015 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 15800422 DWBJIXZUCMHBNT-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 15967018 LXARTFHPKFRUNN-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB CCc1nc(C)cn1C(=S)Nc1ccc(Cl)cc1Cl 16162531 ZMUINJGBFMZRRS-UHFFFAOYSA-N 314.241 4.306 0 40 DIAB Cc1cc(CN(C)Cc2cccc(-c3ccc(F)cc3)c2)n[nH]1 19658534 GBBCGOPABYYZDL-UHFFFAOYSA-N 309.388 4.156 0 40 DIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(N)ccc1C 19736051 QIVZTEHEGAIGRH-ZDUSSCGKSA-N 312.413 4.108 0 40 DIAB CCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 19927343 OPKIYCXJJMKCCW-QGZVFWFLSA-N 301.386 4.167 0 40 DIAB O=C(O)c1ccc(NNc2ccnc3cc(Cl)ccc23)cc1 20032072 FDICMJFCEKRBRK-UHFFFAOYSA-N 313.744 4.025 0 40 DIAB Nc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 22119801 YDHNVLQPHGDCDA-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Cc1ccc([C@@H](NC(=O)NCc2ccccc2F)C2CC2)cc1 31725723 PPZOQBFXIJXDCV-GOSISDBHSA-N 312.388 4.085 0 40 DIAB c1ccc(Cn2ccnc2CSc2nc3ccccc3o2)cc1 32778926 TVDKSBLFVBROEI-UHFFFAOYSA-N 321.405 4.365 0 40 DIAB CCOc1ccc(C(=O)c2ccccc2Br)cc1 37358375 XBCVWESUGMFWMM-UHFFFAOYSA-N 305.171 4.079 0 40 DIAB Cc1cc2c(cc1C(=O)Nc1cccc(C)c1C)OCCCO2 46077741 IXTDAPNMQYYYKV-UHFFFAOYSA-N 311.381 4.025 0 40 DIAB COc1ccc(-c2coc3cc(OC)c(Cl)cc3c2=O)cc1 48057007 XCEHBJWHMYFXFN-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB Cc1ccccc1C(=O)N(C)Cc1cc(Br)cs1 48069439 OMZOTWISBDNMRY-UHFFFAOYSA-N 324.243 4.091 0 40 DIAB Cc1cc(NC(=O)[C@H](C)Sc2c(C)c(C)cc(C)c2C)on1 65548424 SFRSUWRHNSBTDW-AWEZNQCLSA-N 318.442 4.336 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CNc2ccccc2C(C)C)c1C 75568245 NSNIFWIRKJWSRB-UHFFFAOYSA-N 312.413 4.252 0 40 DIAB CCO[C@H](C)c1nc(C(=O)O[C@@H](C)c2cccc(F)c2)cs1 95399929 GLOGLPGABDXKHX-WDEREUQCSA-N 323.389 4.298 0 40 DIAB COC(OC)c1ccc(-c2cccc(Br)c2)cc1 95740178 YSIMGGOYKULYOZ-UHFFFAOYSA-N 307.187 4.408 0 40 DIAB Cc1nc(NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)oc1C 95960020 FPDPIPSJLJRCHM-HNNXBMFYSA-N 315.417 4.070 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)/C=C/c1nc3ccccc3o1)C2 103106313 IRNMFIMETJOVPV-FFYJBHPGSA-N 324.424 4.172 0 40 DIAB Fc1ccccc1CCNc1ncnc2cc(Cl)ccc12 170596915 GMKGHRCXUNCJQP-UHFFFAOYSA-N 301.752 4.077 0 40 DIAB CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1C=C[C@@H]2O)CC(OC)=CC4 196183140 YCIFPDMJINZGBH-SLHNCBLASA-N 300.442 4.370 0 40 DIAB in-vitro C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(F)cc1 223152321 HLXYQNSZRDMTLP-HNNXBMFYSA-N 313.416 4.241 0 40 DIAB COCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 224396058 MYROOCMRQVCJGA-UHFFFAOYSA-N 321.376 4.247 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCC1CCCCC1 224423730 LSPNOOGWZHQQBL-HNNXBMFYSA-N 303.446 4.274 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225368577 YMEUNSOACZTPFD-IXPVHAAZSA-N 312.240 4.231 0 40 DIAB S=C(NCCCSC1CCCCC1)Nc1ccccc1 225589397 ACTMPGRSCHXUIW-UHFFFAOYSA-N 308.516 4.429 0 40 DIAB CC(C)Oc1cccc(NC(=O)CCc2ccc(F)cc2)c1 225824870 MWZOFZSVNZLOMD-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB S=C(NCc1ccco1)c1ccc(OCc2ccccc2)cc1 408573784 OFQMUWULRCLGLG-UHFFFAOYSA-N 323.417 4.324 0 40 DIAB CCN(CC)c1ccc(C(=S)NCc2ccc(C)cc2)cc1 1443855 TWOCHDPJCDBQHE-UHFFFAOYSA-N 312.482 4.307 0 40 DIAB O=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F 2482750 FLIPGOAKSVPLIH-UHFFFAOYSA-N 303.283 4.435 0 40 DIAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]1(C)CC1(Cl)Cl 2872758 HJBOIBHMZAMTKV-YMTOWFKASA-N 316.203 4.077 0 40 DIAB CCN(c1ccc(NC(=O)c2ccc(OC)cc2)cc1)C(C)C 3252584 JBLATQKNMMHISR-UHFFFAOYSA-N 312.413 4.182 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCCCC1 4247768 QJYUEUWLUZNUPR-HXUWFJFHSA-N 305.425 4.447 0 40 DIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 4322961 TVCFDDUKXRRCER-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1CC1CCCCC1 4690299 IRRHRQXNVKYOEG-XNTDXEJSSA-N 317.410 4.009 0 40 DIAB CCOc1ccccc1NC(=O)c1cccc(-n2cccc2)c1 5108946 OTWPBUIFLVTRPN-UHFFFAOYSA-N 306.365 4.128 0 40 DIAB S=c1[nH]c2ccccc2n1-c1ccc(Br)cc1 5338562 NBOPBHCDYIZYFJ-UHFFFAOYSA-N 305.200 4.451 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)n1cnc2ccccc21 5387751 ORWGKNOVCKYIFN-UHFFFAOYSA-N 305.259 4.135 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)c(C)c1 7510311 GLJGYDCCUVEYQM-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1 7738480 NIZFJKGRJVPNPB-UHFFFAOYSA-N 321.311 4.214 0 40 DIAB C[C@H](NC(=S)Nc1ccccc1OC(F)F)C(C)(C)C 8687939 HVSIKBYHUDFOEQ-VIFPVBQESA-N 302.390 4.009 0 40 DIAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2CC)c1 9114449 JNRSVTWNCHRANP-UHFFFAOYSA-N 312.369 4.070 0 40 DIAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccccc1 9698428 CGTZOJIUGFZBJS-SFHVURJKSA-N 317.392 4.133 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(Cl)ccc1Cl 13169694 VHTBSOXMIUQIBG-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(F)cc1F 13820301 PAPWWLJJGZZREA-GFCCVEGCSA-N 320.408 4.273 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1c2ccccc2C[C@H]1C 14738175 MPDBKERXMFOIEE-OLZOCXBDSA-N 315.800 4.085 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OC(C)C)c1 14796311 KBJAKASJGZGGPO-GOSISDBHSA-N 313.397 4.270 0 40 DIAB CC(C)Oc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 15389199 DTBXCFPGFMIBCS-CYBMUJFWSA-N 301.361 4.104 0 40 DIAB CCOc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 15933859 ZARHIYPZUGNXBI-SFHVURJKSA-N 310.397 4.284 0 40 DIAB O=C(/C=C\c1ccccc1)Nc1nc2c(F)cc(F)cc2s1 17178101 OAFPPOKNIWYGPR-SREVYHEPSA-N 316.332 4.226 0 40 DIAB Cc1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 18243847 HGMFBLPKHROMTQ-QRQLOZEOSA-N 319.404 4.068 0 40 DIAB COc1ccc([C@@H](NC(=O)c2ccc(C)cc2C)C(C)C)cc1 19310815 TZGNCQFBYFPORG-IBGZPJMESA-N 311.425 4.439 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1 20481431 GMXAGWXNQOOHEN-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB C[C@@H]1CCCN(CCC(=O)Nc2ccccc2-c2ccccc2)C1 22197666 SRYWGXGRTKKXAI-QGZVFWFLSA-N 322.452 4.414 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3C)cc2c1 25765206 KGAKWSFOVBHFHJ-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCCCC1 30869264 WUJSUYCJRUBLGE-GOSISDBHSA-N 311.425 4.446 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 31078560 LUNOCTRVLKFFFW-ZDUSSCGKSA-N 319.351 4.296 0 40 DIAB CCCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)[nH]n1 32754618 WGDJPBBPRWOOFR-UHFFFAOYSA-N 319.408 4.205 0 40 DIAB COc1cccc(CN(C)[C@H](C)c2ccc(F)cc2)c1OC 40007515 RORIPQZPHLKCDV-CYBMUJFWSA-N 303.377 4.036 0 40 DIAB COc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1F 40088009 KTPOINZYIZXSQU-KRWDZBQOSA-N 315.388 4.352 0 40 DIAB CCc1sc(C(=O)Nc2ccccc2-n2cccn2)cc1C 40133815 DPPJMMZAAGIMCA-UHFFFAOYSA-N 311.410 4.057 0 40 DIAB Nc1nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2s1 40542411 WOFAFFKPAVZJST-UHFFFAOYSA-N 301.758 4.340 0 40 DIAB C[C@H](NC(=O)N(C)Cc1ccco1)C12CC3CC(CC(C3)C1)C2 43000127 WNXITOHRKVAAIJ-IWUURBKTSA-N 316.445 4.026 0 40 DIAB O=C(Cc1ccccc1F)Nc1ncc(-c2ccccc2)s1 47542847 RQJKQGMXUBBDJW-UHFFFAOYSA-N 312.369 4.130 0 40 DIAB CCc1ccc(NCc2ccc(O)c(Br)c2)cc1 57998042 XBFGOEULORMNQC-UHFFFAOYSA-N 306.203 4.329 0 40 DIAB C[C@H](c1ccc(F)cc1)N(C)Cc1nnc(-c2cccs2)o1 70009694 CQALLBXIFDLMQQ-LLVKDONJSA-N 317.389 4.130 0 40 DIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OC1CCCCCCC1 84012369 GRIIKOYYXPALIZ-ZHACJKMWSA-N 310.825 4.051 0 40 DIAB O=C(COC1CCCCC1)Nc1ccc(-c2nccs2)cc1 84421785 UGUTUVFJBBHFFC-UHFFFAOYSA-N 316.426 4.098 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1 89212774 TWKSAZCEYVHKQX-OAHLLOKOSA-N 308.397 4.027 0 40 DIAB Cc1c(Cl)cccc1[C@@H](O)c1ccc(Br)cc1 95730351 WLXWPWFPHYIIRT-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB Clc1cc(Br)ccc1-n1cnc2ccccc21 95915870 YKRYAHQIVVMHMK-UHFFFAOYSA-N 307.578 4.441 0 40 DIAB CCC[C@]1(CCNC(=O)Cc2ccccc2)CCOC(C)(C)C1 96116037 GWHQTZWSVXHIJY-FQEVSTJZSA-N 317.473 4.111 0 40 DIAB biogenic O=C(CSCc1cccc(Cl)c1)NCC1=CCCCC1 223404176 FYBDKAVHPAERQE-UHFFFAOYSA-N 309.862 4.190 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225060971 WORVYPAVAWMHLF-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1cccc(CNC(=S)Nc2cccc(OC(C)C)c2)c1 225428018 OSFNJOHDMLGOOD-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225464456 ADHYUIRUQSPKRD-SNVBAGLBSA-N 322.380 4.021 0 40 DIAB Cc1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)s1 225756649 MPRYMECXLRSULL-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB C[C@H](COc1ccccc1)NC(=S)Nc1ccccc1Cl 225781475 YHPUZWARRGORHF-GFCCVEGCSA-N 320.845 4.094 0 40 DIAB CC(C)(C)c1nc(SCc2cnc(-c3ccccc3)o2)n[nH]1 585138236 XKLFHTNTGBSCBJ-UHFFFAOYSA-N 314.414 4.050 0 40 DIAB CC(=O)Nc1cc(C(F)(F)F)ccc1OCc1ccccc1 60897 WQLGOSCWLRRVOU-UHFFFAOYSA-N 309.287 4.243 0 40 DIAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)c3ccccc3)ccc12 82548 FNUMSBBXAIMFCW-ZDUSSCGKSA-N 322.360 4.006 0 40 DIAB CC(C)COc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1 575114 YHPBEZFGUIQWNE-LDADJPATSA-N 307.393 4.238 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)CSc1cccc2cccnc12 1094354 PWDTXJJCWLYPRC-DZGCQCFKSA-N 314.454 4.022 0 40 DIAB CCc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 2051894 GUDARKNRWASQLZ-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB O=C1N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 2603824 KFVPTKKPMRERNS-CQSZACIVSA-N 318.829 4.134 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)O 5515853 LJFJPDHXAWVDSA-IOASZLSFSA-N 304.386 4.002 0 40 DIAB CCCCOc1ccc(N2C(=S)NC(C)(C)C=C2C)cc1 5792908 XPTWEUZPMOLWDG-UHFFFAOYSA-N 304.459 4.242 0 40 DIAB C[C@H](CNC(=O)CSc1ccc(Cl)cc1)c1ccccc1 6123890 UJFPLSJQDZTNCM-CYBMUJFWSA-N 319.857 4.352 0 40 DIAB CC1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 6263607 LNPLMJWKNLUKOL-UHFFFAOYSA-N 300.324 4.406 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1Cl 6457871 IRIVKJCITTWAKO-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB Cc1ccc2nc(SCC(=O)c3c[nH]c4ccccc34)[nH]c2c1 6506616 DRJGBVALFYXKJO-UHFFFAOYSA-N 321.405 4.328 0 40 DIAB Cc1cccnc1NC(=O)Cc1ccc(-c2ccccc2)cc1 6815281 FFARPZJXQGDQJX-UHFFFAOYSA-N 302.377 4.238 0 40 DIAB Cc1ccn2c(NC(=O)C3CCC3)c(-c3cccs3)nc2c1 6971143 VONCRRUIOYQHGV-UHFFFAOYSA-N 311.410 4.110 0 40 DIAB CCC(=O)c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 8013351 OOTIDFVJMCQHGK-UHFFFAOYSA-N 314.772 4.159 0 40 DIAB O=C(Nc1ccc(F)cc1)Nc1ccnn1C1CCCCC1 8327582 MKSGQZBMULLEFC-UHFFFAOYSA-N 302.353 4.171 0 40 DIAB COc1cccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 12979178 NJJRDUHTEWXFNV-UHFFFAOYSA-N 318.376 4.318 0 40 DIAB O=C(C1CCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 14199857 WXFVMTKGXXIIQD-SFHVURJKSA-N 311.450 4.412 0 40 DIAB COc1ccc(-c2csc(Cc3ccccc3)n2)cc1OC 14202050 GBLMYVUQJRFGRD-UHFFFAOYSA-N 311.406 4.418 0 40 DIAB Nc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 20193855 RFIFVUYROUZVFW-UHFFFAOYSA-N 314.694 4.193 0 40 DIAB CC(C)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 22654455 WYWYEUVZOJCHQD-UHFFFAOYSA-N 305.381 4.248 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCc2ccccc21 30847628 FOIOWRABGZPUJA-SFHVURJKSA-N 309.409 4.050 0 40 DIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-n2cccc2)cc1 32094310 QGFDYSZFKDGIEC-UHFFFAOYSA-N 301.349 4.211 0 40 DIAB CCOC(=O)c1c(O)cc(O)cc1/C=C/c1ccc(Cl)s1 35973566 DVJPVEGJUWAYKI-ONEGZZNKSA-N 324.785 4.160 0 40 DIAB CCOc1ccc(C(=O)c2cccc(Br)c2)cc1 37358219 FNOSECIFRMEZTO-UHFFFAOYSA-N 305.171 4.079 0 40 DIAB CC(C)OCc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 49153186 HWKFAEVJPVTXFF-IPELMVKDSA-N 315.457 4.054 0 40 DIAB CC(C)(C)c1nnc(CN2CCC[C@@H]2c2ccccc2Cl)o1 52210617 DQGNUQSLEUPEOW-CQSZACIVSA-N 319.836 4.358 0 40 DIAB CCCCN(C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 58337466 GZYVXDFBYAPTAX-UHFFFAOYSA-N 323.440 4.266 0 40 DIAB Cc1[nH]c(=S)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 72218417 DEEMAFHVTXJVRI-MRXNPFEDSA-N 312.438 4.420 0 40 DIAB FC(F)(F)c1ccc(Cc2cccc(C3CCNCC3)n2)cc1 72348406 LYURSDMWAHQIPS-UHFFFAOYSA-N 320.358 4.158 0 40 DIAB CC(C)(C)C(=O)N1CCC(COCc2ccc(Cl)cc2)CC1 75156572 LOVKUWJVKFJIQB-UHFFFAOYSA-N 323.864 4.141 0 40 DIAB C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)c2ccccc2S1 89930056 VFXQWPRZKKMJAO-LLVKDONJSA-N 314.410 4.083 0 40 DIAB COc1cccc2c1CC[C@@H]2NCc1cnc(C2CCC2)s1 95415566 UTHGYKJIKBOBNW-INIZCTEOSA-N 314.454 4.196 0 40 DIAB Cc1ccc(C(=O)c2cc(F)cc(F)c2)cc1Br 95916692 RXJSIIFVSHXMSG-UHFFFAOYSA-N 311.125 4.267 0 40 DIAB O=C1C[C@@H](c2ccccc2Br)Nc2ccccc21 97758116 SEYVLYDJXKORGO-AWEZNQCLSA-N 302.171 4.189 0 40 DIAB C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2o1 108372357 DSIBYAMNVHUIGR-JOQOYGCGSA-N 317.454 4.138 0 40 DIAB C[C@H](CCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 178570106 QZRXRMVBISZCCZ-HIFRSBDPSA-N 313.363 4.371 0 40 DIAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 224087165 IZIZSIUWJLFWBQ-CYBMUJFWSA-N 317.816 4.100 0 40 DIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(C)c2)cc1 225639096 CGMMLMZIEKVWFU-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 417778 XWZGMOYPVSWYOT-UHFFFAOYSA-N 312.394 4.346 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 505791 VIXGPCUXOJWAOC-AWEZNQCLSA-N 313.397 4.226 0 40 DIAB CC(C)(Cl)C1OC(C(C)(C)Cl)OC(C(C)(C)Cl)O1 1594755 JUEGKELCXWTJQB-UHFFFAOYSA-N 319.656 4.080 0 40 DIAB CCCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21 2448110 QGTSLXCZGHQXJU-UHFFFAOYSA-N 324.428 4.369 0 40 DIAB COc1ccc(NC(=O)c2oc3ccc(OC)cc3c2C)cc1 3561813 YNHPAEVRMYWUOR-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB Cc1cc(C)c2nc(NC(=O)c3c(F)cccc3F)sc2c1 4071279 GCJXKFVKUDBPGP-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB CCCCCCc1c(C)c2ccc(OC(C)=O)cc2oc1=O 4746734 XOUNRLRVSJMAPY-UHFFFAOYSA-N 302.370 4.150 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(Cl)c1 5425449 JJYFVIMWGIXBOR-CQSZACIVSA-N 303.814 4.307 0 40 DIAB O=C(Sc1ncnc2ccccc12)c1ccc(Cl)cc1 5704865 AMFDOUJFCPPZJA-UHFFFAOYSA-N 300.770 4.216 0 40 DIAB Cc1ccc(-c2csc3ncn(CC(C)C)c(=O)c23)s1 7007182 SETIZGYIZRBBDW-UHFFFAOYSA-N 304.440 4.151 0 40 DIAB Cc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c(Cl)c1 7587652 YEOKKLRVJWUMMZ-ZDUSSCGKSA-N 314.816 4.038 0 40 DIAB Cc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)c(C)c1 7595991 IVQPJLQULZVGMP-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB O=C(Nc1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1 9337147 KODARNAJKLEGEE-UHFFFAOYSA-N 317.213 4.116 0 40 DIAB O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)s1 12508020 RTAUDNWCFLQTFX-UHFFFAOYSA-N 308.815 4.253 0 40 DIAB Clc1ccc(CSC2=N[C@H]3CCCC[C@@H]3N2)c(Cl)c1 14196645 AGKZKKKAAZXHSZ-STQMWFEESA-N 315.269 4.497 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C\c1ccnc2ccccc12 17353819 XPYLMRIXEKTASO-HJWRWDBZSA-N 321.376 4.431 0 40 DIAB COc1ccc(-n2c(CN3CCCCC3)nc3ccccc32)cc1 29922388 ZFVIGFOMGQCQKQ-UHFFFAOYSA-N 321.424 4.020 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc2nsnc2c1 30948387 WRVCFPSIANLGNV-LLVKDONJSA-N 311.410 4.457 0 40 DIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2C1 36386142 IVKFSFTWALNPEC-KKUMJFAQSA-N 324.468 4.411 0 40 DIAB O=C(Nc1cccs1)Nc1nc2c(s1)Cc1ccccc1-2 38671415 GUHYVEGDIDIGCO-UHFFFAOYSA-N 313.407 4.420 0 40 DIAB NC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 40118795 WDSOMGGOUZMESK-UHFFFAOYSA-N 314.797 4.229 0 40 DIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1N 57340385 NYOUXFFPUFPQRJ-UHFFFAOYSA-N 318.376 4.197 0 40 DIAB COc1ccc(Nc2ncnc3ccc(Cl)cc23)cc1OC 57519772 YDQMDAUVZKTPFE-UHFFFAOYSA-N 315.760 4.044 0 40 DIAB O=C(c1cccc(Oc2ccccc2)c1)N1CCCSCC1 60847127 HWBSIMKIWNFHDA-UHFFFAOYSA-N 313.422 4.058 0 40 DIAB COc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339833 NXBREQLCKSDEFS-CSKARUKUSA-N 323.348 4.102 0 40 DIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1Cc1ccccc1 72218850 RIWYUERLBIOFKN-HXUWFJFHSA-N 321.468 4.327 0 40 DIAB COc1ccc(C)c2c(Nc3ccccc3C(=O)O)cc(C)nc12 78401741 ZTQMUOOPIMNCFY-UHFFFAOYSA-N 322.364 4.302 0 40 DIAB CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2nc(C)cs2)s1 78936352 QGRWCNGVYCCWMJ-JTQLQIEISA-N 324.475 4.004 0 40 DIAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccc2c(c1)CCCC2 84651749 GOOFIQYVTAQVSG-DOPJRALCSA-N 309.409 4.139 0 40 DIAB COc1ccc([C@@H](C)CN2CCC(Cc3cccnc3)CC2)cc1 95468642 ITHMHVYUEDYUHW-KRWDZBQOSA-N 324.468 4.148 0 40 DIAB Brc1ccc(NCc2nc3cccnc3s2)cc1 95941904 SBKNMMSERFBDIO-UHFFFAOYSA-N 320.215 4.066 0 40 DIAB C[C@@]1(NCc2cnn(-c3ccccc3)c2)CCCc2ccccc21 95953326 OWWSDWWPMJJZRC-OAQYLSRUSA-N 317.436 4.214 0 40 DIAB CO[C@](C)(CNC(=O)Nc1cccs1)c1cccc(Cl)c1 96393226 XSYLUAYFURGQRX-OAHLLOKOSA-N 324.833 4.085 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(C)cc1C 225395029 JEWPEMATBPZUAT-KRWDZBQOSA-N 315.388 4.332 0 40 DIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)cc1 225743792 DLSDMPKUOYQCJH-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CC(C)(COC(=O)OCC(C)(C)C(F)(F)F)C(F)(F)F 1083809752 CPKVAZXNQIHELF-UHFFFAOYSA-N 310.234 4.317 0 40 DIAB O=C(NCC1(c2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 1889119660 YBTDHOODLKYVET-UHFFFAOYSA-N 315.482 4.112 0 40 DIAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1 122443 BEYPRDRIWNKJAW-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CCCn1c2ccccc2n2c(C(=O)c3cccs3)c(C)nc12 305221 WYTGLKPODLYHAW-UHFFFAOYSA-N 323.421 4.300 0 40 DIAB COc1c(C)cc(NC(=O)CSCc2ccccc2)cc1C 1428442 JFCYWFMADIJICP-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C 1577161 IFKPLJWIEQBPGG-KRWDZBQOSA-N 309.453 4.150 0 40 DIAB in-man O=C(NCc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 3307921 OHIONFSPGPDYRS-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB Cc1ccc2c(CC(=O)Nc3ccc(F)cc3F)coc2c1 3524959 JOLVUPFWKLRVJO-UHFFFAOYSA-N 301.292 4.201 0 40 DIAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1C(N)=O 6560280 TYLLJJWWJRROQT-UHFFFAOYSA-N 314.747 4.102 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)nc(Cl)c1 6590367 RTFHEIBSQAVMJI-ZDUSSCGKSA-N 321.207 4.196 0 40 DIAB Cc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2)c(C)c1 7053341 IIFQXIIONTZTGA-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB Cc1ccc(F)cc1NC(=O)Cc1c(C)nc2ccccc2c1C 7952167 WJGSDYPTRFMTGB-UHFFFAOYSA-N 322.383 4.480 0 40 DIAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 8412674 ACPFVPIMJKWYNK-UHFFFAOYSA-N 314.392 4.438 0 40 DIAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccncc2)c1 9157337 ZVQZKSUQKJMDPZ-LJQANCHMSA-N 315.376 4.161 0 40 DIAB CC[C@H](C)c1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 9733027 QHKVIUVGCBJMCQ-HNAYVOBHSA-N 323.436 4.383 0 40 DIAB CCn1c(C)cc2cc(NC(=O)CCCc3ccncc3)ccc21 12148371 PHRPLFXOGUZKLD-UHFFFAOYSA-N 321.424 4.326 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12672752 HMSGZGIKWSXIPJ-QRWLVFNGSA-N 322.452 4.317 0 40 DIAB Cc1c(Cl)cccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12817541 BQHMMPWNEANTAK-JTQLQIEISA-N 324.211 4.136 0 40 DIAB CN(C(=O)c1ccc(Cl)cc1F)[C@H]1CCc2ccccc21 12865973 WYELWIUMJQOTCA-INIZCTEOSA-N 303.764 4.239 0 40 DIAB COc1cccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1 12994659 PMOUNUVLFKAEDS-ZHACJKMWSA-N 319.404 4.024 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)C1(c2ccccc2)CCCC1 13390819 YCTHDYOTOGOSGS-UHFFFAOYSA-N 323.392 4.144 0 40 DIAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccn1 14375630 OKLBHOHGZBYMKG-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c(C)c1 15693296 OHMAHJWYCYVOEX-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(C)cc2)cc1 19932009 CVKBEMDGMVXLFH-INIZCTEOSA-N 311.425 4.204 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 22532846 HRCWRRNLONIKPK-KRWDZBQOSA-N 322.452 4.082 0 40 DIAB Cc1noc(C)c1CSc1ncnc2cc(Cl)ccc12 24340540 ACIRHRSONJJOOI-UHFFFAOYSA-N 305.790 4.180 0 40 DIAB CN(Cc1ccco1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 27354319 DOFGPMTZZSHBJF-LJQANCHMSA-N 320.392 4.091 0 40 DIAB CCCn1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 28241139 WEXFNXSDWBKKSE-UHFFFAOYSA-N 305.381 4.212 0 40 DIAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(C)C 28758313 DFGHWXSDNFXULD-AWEZNQCLSA-N 312.413 4.258 0 40 DIAB CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 29106590 QZKUVUUHWRICJU-NEPJUHHUSA-N 302.443 4.342 0 40 DIAB O=C(Nc1ccccc1)c1ccccc1C(=O)c1ccc(F)cc1 29507180 XOVVUSJUTSDXIX-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 38754018 CJUQFKRJGJLRLL-GFCCVEGCSA-N 319.788 4.145 0 40 DIAB Cc1cccc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1C 40050736 MMPGWXSVDOHRMU-KRWDZBQOSA-N 311.425 4.201 0 40 DIAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(F)c1 40144969 LNWYENGCGOGMGB-SNVBAGLBSA-N 316.763 4.451 0 40 DIAB CCOC(=O)c1ccccc1-c1nc2ccc(F)cc2s1 45923251 RRKKJRXFQUIUNF-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB O=C(Nc1nnc(-c2ccsc2)s1)N1CCCCCCC1 52496893 DLNBHBKQYHVIRX-UHFFFAOYSA-N 322.459 4.065 0 40 DIAB CN(C)c1ccc(-c2nc3ccccc3[nH]2)cc1Br 216880084 IDAFFWBKLYBDRS-UHFFFAOYSA-N 316.202 4.058 0 40 DIAB CCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1 222546813 XEIWPFROHFLGNI-UHFFFAOYSA-N 311.425 4.140 0 40 DIAB COc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Cl 223306491 WMVWIKBARQWPLU-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB CCSc1ccccc1NS(=O)(=O)c1cc(C)ccc1C 223674454 QYQDHODAVIDBOC-UHFFFAOYSA-N 321.467 4.216 0 40 DIAB COc1ccc(Br)c2sc(C(=O)O)c(Cl)c12 228942234 WHKBZMCGVZIKNH-UHFFFAOYSA-N 321.579 4.024 0 40 DIAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1cccs1 253472620 NXNRKYCTKCMQBW-NSHDSACASA-N 300.383 4.247 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1Br)C(F)(F)F 604221834 YPYPLYHFBBJXPJ-UHFFFAOYSA-N 321.014 4.213 0 40 DIAB C[C@@H]1CC(CNC(=O)NCc2cccc(Cl)c2)C[C@@H](C)C1 1563439761 GIBZLHIZKDMTEM-STQMWFEESA-N 308.853 4.212 0 40 DIAB COC(=O)c1c(C)oc2ccc(OCc3ccccc3C)cc12 83688 HVVGEFXYWSLWBY-UHFFFAOYSA-N 310.349 4.415 0 40 DIAB biogenic Cc1ccc(O[C@H](C)C(=O)Nc2cccc3cccnc23)c(C)c1 364848 HEZCTCKMWQGMON-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB COc1cccc(=O)c2c(C)n(-c3ccc(C)c(C)c3)c(C)c12 488086 QGYQPWHTLHHOPA-UHFFFAOYSA-N 307.393 4.233 0 40 DIAB biogenic Cc1nc(Sc2ccc(Br)cc2)nc2c1CCC2 1394111 JFGYCJVRYCSUGY-UHFFFAOYSA-N 321.243 4.187 0 40 DIAB O=S(=O)(Nc1ccc2c3c(cccc13)C=C2)c1ccccc1 1698332 ZNJFBBYEIHKWJS-UHFFFAOYSA-N 307.374 4.124 0 40 DIAB Cc1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 2069696 JTKUWPUOKZQYSY-UHFFFAOYSA-N 318.438 4.369 0 40 DIAB O=C(c1ccccc1CN1CCC1)c1cccc(Cl)c1Cl 2515633 LCEZZARQTKEDHJ-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB Cc1ccc(C2=N/C(=C/c3cccc(OC(C)C)c3)C(=O)O2)cc1 2751721 GLNFZJWLIDMMOK-LDADJPATSA-N 321.376 4.127 0 40 DIAB Cc1cccc2sc(NC(=O)/C=C/c3ccc(F)cc3)nc12 3284122 MPCIIGHBJZCFTI-JXMROGBWSA-N 312.369 4.396 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2nc3ccccc3s2)c1 3524140 CHOFSJIPBMTQIY-GFCCVEGCSA-N 312.394 4.011 0 40 DIAB O=c1c2ccccc2c(-c2cccs2)nn1-c1ccccc1 3893023 RQOAXEHMLOWSFL-UHFFFAOYSA-N 304.374 4.114 0 40 DIAB C[C@]12C=CC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4081582 JRNSSSJKIGAFCT-DXFHCHAVSA-N 302.458 4.125 0 40 DIAB biogenic CCOc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)cc1 5034424 VSLQAJHECLGXPN-KPKJPENVSA-N 321.376 4.056 0 40 DIAB CCCCn1nc(NC(=O)CCC)c2cc3cc(C)ccc3nc21 5499559 HAUOFEKJENPLNG-UHFFFAOYSA-N 324.428 4.432 0 40 DIAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1C 5814866 SQZLKQAMXASWGB-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc3ccccc3c2)cc1 6128142 ZKNZJAYMXCORBV-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB Cc1ccccc1CSCc1nnc(S)n1C1CCCC1 6789645 BHZPTRUWMKEBPR-UHFFFAOYSA-N 319.499 4.424 0 40 DIAB Cc1ccc(NC(=S)NCCSc2ccccc2)cc1 7500710 CECAIIHVWJVQLW-UHFFFAOYSA-N 302.468 4.074 0 40 DIAB CCCc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 8718719 QRXUELMNZFZKTL-UHFFFAOYSA-N 305.381 4.077 0 40 DIAB Cc1ccc(C(=O)C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 9217581 OJXMZQAISKVLTA-UHFFFAOYSA-N 324.405 4.043 0 40 DIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1 11636861 YZEBWBOLASJHRL-INIZCTEOSA-N 319.788 4.145 0 40 DIAB CCc1ccc2nc3c(cc2c1)CN(c1ccccc1)CCO3 13561485 DYTHWITVIUFGGW-UHFFFAOYSA-N 304.393 4.196 0 40 DIAB Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1F 14184437 XXBIFWIGGRRDJW-UHFFFAOYSA-N 316.357 4.412 0 40 DIAB C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3nccs3)c2C1 14461905 INEJHAFQSOILJA-NSHDSACASA-N 323.421 4.068 0 40 DIAB Cc1ccc(CSCCNC(=O)Nc2ccccc2)cc1 18179141 GDOAMAHSCQJDQG-UHFFFAOYSA-N 300.427 4.050 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 20490892 YJTFXJWABDGAOL-YGLIYXGISA-N 313.372 4.115 0 40 DIAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20492917 PURMRBQUMGDJFT-MRXNPFEDSA-N 311.425 4.202 0 40 DIAB O=C(CCc1ccccc1Cl)Nc1nc(C2CC2)cs1 25563211 JMNLGOJIMAYEKO-UHFFFAOYSA-N 306.818 4.245 0 40 DIAB Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c2cccnc12 31083645 ZHUXTRLKLWVKON-UHFFFAOYSA-N 315.376 4.287 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 32720199 GDCGIJPZHXBFGC-XJKCOSOUSA-N 312.413 4.205 0 40 DIAB CC(C)c1nc(CC(=O)N2CCCCc3ccccc32)cs1 40133895 CMBJFCIQRVXNMI-UHFFFAOYSA-N 314.454 4.179 0 40 DIAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1 40139476 DDGLXBSMVNCDAR-QWHCGFSZSA-N 304.415 4.257 0 40 DIAB c1ccc(CNc2nc(N3CCCCC3)c3ccccc3n2)cc1 41148749 LGRLLFJNGXKRJW-UHFFFAOYSA-N 318.424 4.232 0 40 DIAB COc1ccccc1NC(=O)c1cccc(-c2nc(C)cs2)c1 41335264 AJUGVXJMPOYAGS-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB S=c1[nH]c2cccc(Cl)c2n1CCOc1ccccc1 42897236 NQPSESWRZMISKW-UHFFFAOYSA-N 304.802 4.431 0 40 DIAB in-vitro CCCOc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 46179419 XUARXIISZFXPMS-UHFFFAOYSA-N 321.779 4.198 0 40 DIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1SC(C)(C)C 72222815 DZBRWOZILOQURG-UHFFFAOYSA-N 310.463 4.305 0 40 DIAB Clc1cc(I)cc(Cl)c1Cl 90560672 RVAULXUQOQCUSC-UHFFFAOYSA-N 307.345 4.251 0 40 DIAB CCC[C@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1F 97212273 NDVOPQIHBLDDFG-VIFPVBQESA-N 306.303 4.497 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 102026792 GCAODHPIRMXSSB-LXTGRIHNSA-N 321.492 4.150 0 40 DIAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1C 102202079 UJXJUWDYPLPYOV-QFBILLFUSA-N 324.449 4.238 0 40 DIAB CC(C)(C)c1cc([C@H]2OC(=N)C(O)=C2O)cc(C(C)(C)C)c1O 104240536 MPEGYWCXTIWOPC-OAHLLOKOSA-N 319.401 4.363 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 216888375 QNSNKXKSSNIYSC-CSKARUKUSA-N 316.784 4.414 0 40 DIAB CC(C)(C)c1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216950251 IBXFXMCGOISBDG-UHFFFAOYSA-N 321.376 4.326 0 40 DIAB Cc1ccc(CC(=O)NCc2ccc3ccccc3c2)c(C)c1 222817823 MEJNOWVCVACCBP-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1ccccc1 222943730 AQARAAYJMDCYFK-GOSISDBHSA-N 311.425 4.119 0 40 DIAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223206802 LLHWLZZRIBBLOM-MRXNPFEDSA-N 323.436 4.048 0 40 DIAB C[C@@H](NC(=S)Nc1ccc2sncc2c1)c1ccccc1 225172381 OOCGQXMOIKSMIY-LLVKDONJSA-N 313.451 4.344 0 40 DIAB CCCOc1c(C)cc(NC(=O)C(C)(C)OCCC)cc1C 225728267 ZDTXDNPZMOFQQV-UHFFFAOYSA-N 307.434 4.236 0 40 DIAB Cc1ccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)cc1C 93148 VYTAONWKLRDLIJ-SGTLLEGYSA-N 317.502 4.045 0 40 DIAB Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)nc1 535524 FVGCLEZIWLACCE-UHFFFAOYSA-N 302.377 4.161 0 40 DIAB CN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 882031 GZYQJJGJLSPDDJ-UHFFFAOYSA-N 312.369 4.226 0 40 DIAB Cc1cc(C)cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 2120870 VQTAJLZUGHULOV-UHFFFAOYSA-N 321.376 4.075 0 40 DIAB biogenic CC(C)c1ccccc1NC(=O)CN1c2ccccc2C[C@@H]1C 3536955 AUAJWMOUNSJQFW-HNNXBMFYSA-N 308.425 4.200 0 40 DIAB c1ccc(CNc2nnc(SCc3ccccc3)s2)cc1 4997376 ZAJHIOJWOUYFHC-UHFFFAOYSA-N 313.451 4.443 0 40 DIAB CC(C)c1ccccc1[S@](=O)c1ccccc1C(C)(C)O 5733816 BNAGKGMIYANWAW-OAQYLSRUSA-N 302.439 4.204 0 40 DIAB in-vitro CCCN(CCNc1cc(OC)cc2cccnc12)[C@@H](C)CC 5838731 RCVJKZIMWUDHPW-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OC 6959199 APYRITMOPABCBX-UHFFFAOYSA-N 309.768 4.499 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 7068811 UKQGFDZDLIURDK-AWEZNQCLSA-N 315.800 4.147 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)N[C@@H]1CCc2ccccc21 9878376 UIOPHCNALRIZJM-RTBURBONSA-N 306.409 4.124 0 40 DIAB Cc1ccsc1/C=C(\Cl)c1nc2ccccc2c(=O)[nH]1 11294343 OZMTXGOPJWEBST-FLIBITNWSA-N 302.786 4.030 0 40 DIAB COc1ccc(CC(=O)Nc2cccc(C(C)C)c2)cc1OC 12752576 MHTOGILDFLTGIN-UHFFFAOYSA-N 313.397 4.008 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 12882377 HDSQQDBUCBJLDV-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12934711 NWQCGPRJLYJRBC-CQSZACIVSA-N 307.368 4.399 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2SC)cc1 15305942 MWPHKYSBHPMWDT-UHFFFAOYSA-N 301.411 4.450 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)cc1F 17743188 NAOIWJUTEYQMQR-SECBINFHSA-N 308.353 4.178 0 40 DIAB COc1ccc([C@H](C)NC(=O)Nc2ccccc2Cl)cc1 28579809 SPVYMAZXMOYOLF-NSHDSACASA-N 304.777 4.231 0 40 DIAB Cc1ccc(NC(=O)CCCc2nc3ccccc3o2)c(C)c1 31809237 YUKPEWOFIWEKEX-UHFFFAOYSA-N 308.381 4.406 0 40 DIAB C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(Cl)s1 33446836 WYURTZWEGMTHHO-LLYMPXGKSA-N 321.858 4.280 0 40 DIAB c1ccc(C2=N[C@H](c3ccccc3)N3C[C@@]23c2ccccc2)cc1 36020487 WBGPXLGRLVZYHL-JCVDRHSJSA-N 310.400 4.399 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@H]1c1ccccc1 45120410 JIRGTWLKTWNDAO-YJBOKZPZSA-N 324.424 4.221 0 40 DIAB C[C@H]1CCN(C(=O)/C=C/c2ccccn2)c2ccccc2S1 47519572 KSXAHJOSUTXPDU-HBWSCVEGSA-N 310.422 4.012 0 40 DIAB O=C(Nc1cc(F)ccc1F)Nc1ccc(F)cc1Cl 51354426 RGHPJZLKWCFXRT-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(F)c(F)c2)S1 71286278 QMRYSRVQYPJOLA-ZDUSSCGKSA-N 323.368 4.334 0 40 DIAB O=C(c1ccncc1F)N1CCCSc2ccc(Cl)cc21 79721493 ZNKWSYQWNHMEER-UHFFFAOYSA-N 322.792 4.017 0 40 DIAB O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]1c1c(F)cccc1F 89774656 LLDPMJZKMYPPMK-RISCZKNCSA-N 322.742 4.296 0 40 DIAB CC(C)(C)[C@H](NC[C@H](O)c1ccco1)c1cc2ccccc2o1 95996220 HMYDAORUHYSJSZ-KBXCAEBGSA-N 313.397 4.436 0 40 DIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1 98081472 OXMJNNNWMRVDBI-ACCNSPFPSA-N 310.397 4.121 0 40 DIAB CCCCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21 100552718 IUZQRMQBPYSNOP-UHFFFAOYSA-N 323.396 4.177 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100756538 KUJBNEHZPLWFTD-QZTJIDSGSA-N 319.832 4.372 0 40 DIAB C[C@@H](NC(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102181413 PKTSXEJRWIXWOK-REJLFOLJSA-N 322.246 4.004 0 40 DIAB Cc1ncc([C@@H](C)N[C@@H](c2cc(F)ccc2F)C2CC2)c(C)n1 152104257 ZSKAGJQJIUNGLO-ADLMAVQZSA-N 317.383 4.174 0 40 DIAB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)(F)F 203527162 TYIQLZDQHGEDDW-UHFFFAOYSA-N 321.014 4.213 0 40 DIAB FC(F)c1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 216902528 IRNYSDBCXUOEQQ-UHFFFAOYSA-N 310.156 4.341 0 40 DIAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 222899267 ZHMCJXJKFAKMCU-KRWDZBQOSA-N 309.409 4.336 0 40 DIAB CC[C@H](NC(=O)c1ccccc1OC)c1ccc2c(c1)CCCC2 223022702 YGHIBNXWVGUBOS-IBGZPJMESA-N 323.436 4.455 0 40 DIAB CCc1ccccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225041093 WKQMUILTBQLLQU-FQEVSTJZSA-N 320.388 4.477 0 40 DIAB Cc1[nH]c2ccccc2c1-c1nc(O)c2c(C)c(C)sc2n1 408734124 DGCIOVMZSUQOGQ-UHFFFAOYSA-N 309.394 4.470 0 40 DIAB Cc1cc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1 506289452 LDAGGAFMPGKPHT-CQSZACIVSA-N 321.380 4.001 0 40 DIAB CO[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(F)c1 1615085793 VKDZZVOVDIVSJY-VQIMIIECSA-N 305.437 4.038 0 40 DIAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccco1 162505 UGUFOORZJBCFDD-UXHICEINSA-N 320.344 4.181 0 40 DIAB CC(=O)OC1C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 1719801 OBNUWEBINMHPGX-WOJBJXKFSA-N 309.409 4.126 0 40 DIAB COc1ccc(N[C@@H](c2ccccc2)P(=O)(OC)OC)cc1 2311421 RFFJWFUHZSACJP-MRXNPFEDSA-N 321.313 4.292 0 40 DIAB O=C(c1ccc(CN2CCCC2)cc1)c1cc(F)cc(Cl)c1 2514581 PQDAZQDKODDKSQ-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)cs2)n1 4087906 RZUKZGUNCDXTDL-UHFFFAOYSA-N 309.316 4.323 0 40 DIAB CCOc1ccc2c(-c3ccccc3)cc(=O)oc2c1OCC 4746002 UNYCBLCAXGOHPW-UHFFFAOYSA-N 310.349 4.257 0 40 DIAB O[C@@H](C1=C/C(=C\c2ccncc2)c2ccccc21)c1ccncc1 4824115 JTMFJLXJCCVSIM-RYEVTAHJSA-N 312.372 4.148 0 40 DIAB in-vitro C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccs1 5172437 ZBNTVTXGQNKKKG-SNVBAGLBSA-N 311.859 4.199 0 40 DIAB Cc1ccc(-c2csc(-n3nc4c(c3C)CCCC4)n2)cc1 5274965 YKSKYIKXJCPCOA-UHFFFAOYSA-N 309.438 4.491 0 40 DIAB CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 5458341 HXILKNOMQLHFKF-NSHDSACASA-N 323.458 4.178 0 40 DIAB CCCOc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 5646023 FXGOIXOBCXGAQG-UHFFFAOYSA-N 314.410 4.057 0 40 DIAB Fc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 6111512 JDLXELXIMHXQIY-UHFFFAOYSA-N 315.351 4.260 0 40 DIAB CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1C(=O)O 6963931 DHFMRJHCAZEBDC-VXLYETTFSA-N 317.772 4.496 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1 8499885 BBBAEISOUZVENE-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(C)n1C1CC1 12814531 MRZMEGCDPOKJRE-HZPDHXFCSA-N 300.446 4.092 0 40 DIAB Cc1cccc(CCN2Cc3cc4ccccc4nc3OC2=O)c1 13227595 QCMGLYNCNJJVHQ-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2cccc3cnccc23)cc1 13687172 FQUZWLMWYDRTAK-UHFFFAOYSA-N 321.405 4.246 0 40 DIAB O=C(c1csc2c1CCCC2)N1CC[C@H]2CCCC[C@H]2C1 23429272 NRZVOZAAYNWGPL-KGLIPLIRSA-N 303.471 4.279 0 40 DIAB Cc1cc(C)c([C@@H](O)c2ccccc2Br)c(C)c1 40249242 QGNDBBKXBWZDKI-INIZCTEOSA-N 305.215 4.456 0 40 DIAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)(F)F 43505043 LNWMTAVUAMYMSY-UHFFFAOYSA-N 316.225 4.289 0 40 DIAB CSCc1nnc(SCCCOc2cc(C)cc(C)c2)o1 43878095 JLMAXUZMLHVQBC-UHFFFAOYSA-N 324.471 4.111 0 40 DIAB C[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1cccs1 44315244 HXRTVNCBFSQNAR-QWHCGFSZSA-N 305.468 4.247 0 40 DIAB CN(Cc1ccc(OCc2ccccn2)cc1)c1ccccc1F 60374353 POSFIXQBPSEERJ-UHFFFAOYSA-N 322.383 4.436 0 40 DIAB CCCc1nc(C)c(C(=O)Nc2c(C)nn(C(C)C)c2C)s1 69516019 SYJXVQYCNZWYEX-UHFFFAOYSA-N 320.462 4.051 0 40 DIAB Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N1CCCCC1 72219180 DMFYMBVLHYTBMO-SFHVURJKSA-N 301.478 4.316 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 75284783 WVZCRIIHQJCCSB-UHFFFAOYSA-N 308.425 4.167 0 40 DIAB CCc1ccc([C@@H](C)N[C@@H](C)CC(=O)Nc2ccccc2)cc1 78739038 ILQKCPWRQAHCKN-JKSUJKDBSA-N 310.441 4.317 0 40 DIAB Cc1cc(NC[C@H](c2ccccc2)N(C)C)c2ccccc2n1 89583125 LJMUFVBIHUNYPX-HXUWFJFHSA-N 305.425 4.258 0 40 DIAB Cc1coc(-c2cccc(NCc3cccc4cn[nH]c34)c2)n1 95429330 JNBMASSFWZJNQO-UHFFFAOYSA-N 304.353 4.138 0 40 DIAB CCc1cccnc1NC(=O)c1cccc(-c2ccccn2)c1C 95438244 PKJBNPYXIRMIGD-UHFFFAOYSA-N 317.392 4.267 0 40 DIAB CC(C)C[C@H]1SCC(O)=Nc2ncn(-c3ccccc3)c21 95477923 NZAGSXMPADRZGR-CYBMUJFWSA-N 301.415 4.294 0 40 DIAB Cc1ccccc1[C@@H](NCc1nccn1C)C1CCC(C)CC1 95958896 UVAAQQSRCUAWEL-LAGYLCCXSA-N 311.473 4.386 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1Cl 220013649 HWZREKDRSJYXKG-OAHLLOKOSA-N 315.844 4.410 0 40 DIAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)O)cc1 225053818 FYVOCIBZFIGAHS-QGZVFWFLSA-N 316.372 4.198 0 40 DIAB CCCC[C@@H](CC)CNC(=O)COc1ccc2c(c1)CCCC2 225115300 WELUAGGVMOJYCI-MRXNPFEDSA-N 317.473 4.277 0 40 DIAB Cc1nc(-c2ccc(C(=O)Nc3cccc(O)c3)cc2)c(C)s1 408580256 NNMLGZDUZJDNMP-UHFFFAOYSA-N 324.405 4.385 0 40 DIAB CCCN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)C1=O 409124023 JTDFOPVMSXJSCY-GDNBJRDFSA-N 314.410 4.108 0 40 DIAB CC(C)C[C@H]1CCCCN1Cc1c(Cl)cccc1C(=O)O 573974976 HMCVKFOYTYTPQJ-CYBMUJFWSA-N 309.837 4.439 0 40 DIAB COc1ccc(Cl)cc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1775974004 ULCUNGZHLPWWRY-GJZGRUSLSA-N 317.816 4.206 0 40 DIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(Cl)cc1 27982 GLKVZMPWXYYRJR-RIYZIHGNSA-N 318.159 4.338 0 40 DIAB CC[C@@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C 501212 MUVVNQHRUQTFFH-PXAZEXFGSA-N 324.852 4.258 0 40 DIAB CC1(C)C=Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1 899892 LWTDZKXXJRRKDG-KXBFYZLASA-N 322.360 4.186 0 40 DIAB endogenous,in-man O=C(OCCOc1ccc(Cl)cc1Cl)c1ccccc1 1675724 LGURYBCSJPXHTF-UHFFFAOYSA-N 311.164 4.229 0 40 DIAB COc1ccc(COC(=O)Nc2cccc(Cl)c2)cc1OC 1739651 ZRQVDXMXXIUHBP-UHFFFAOYSA-N 321.760 4.106 0 40 DIAB Cc1ccc(C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 1805426 XKRZXSSXVYNRRL-UHFFFAOYSA-N 316.225 4.218 0 40 DIAB Cc1ccc2cc(NC(=S)NCc3ccccc3)ccc2n1 2212134 QBKRFTJFVFRKSY-UHFFFAOYSA-N 307.422 4.030 0 40 DIAB CCCCN(CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1C 3381055 LUGKPWICKMNDAN-SFHVURJKSA-N 321.505 4.154 0 40 DIAB C[C@@]1(O)C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13 4743894 CQZAVYPFAQQMBG-BOKNCHGFSA-N 316.485 4.061 0 40 DIAB COc1ccc2nc(/C=C/c3ccc(C(=O)O)cc3)sc2c1 6583240 DHBJDMZEAXGVBB-RUDMXATFSA-N 311.362 4.174 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(C)cc1 7559107 GRLDBMDOAOTXCJ-QGZVFWFLSA-N 314.454 4.441 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)COc1cccc2ccccc12 8325097 IIGXBVLYASEUQM-INIZCTEOSA-N 319.404 4.404 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(F)c2)c(C)c1 8369786 VSHBIJBDWWYYKI-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 9754292 CECVOZOHLKGJQO-VQIMIIECSA-N 311.425 4.358 0 40 DIAB ClC1(Cl)C[C@H]1CSc1nc(CCC2CCCC2)n[nH]1 12745793 OKNWDCPYOUHEKH-JTQLQIEISA-N 320.289 4.213 0 40 DIAB Cc1occc1C(=O)OCc1csc(-c2ccc(F)cc2)n1 12781503 QCJHCTNIOCFJGE-UHFFFAOYSA-N 317.341 4.208 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1F 12994905 FYMPFDZUCSDUDS-INIZCTEOSA-N 303.764 4.360 0 40 DIAB CC(C)c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 13566116 ZLPMQBJPOZSQRO-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB O=C(C1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14110141 JAQPLVTVUIFFQL-CQSZACIVSA-N 314.454 4.193 0 40 DIAB C[C@H](NC(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1 14424907 XEJBLPQMGQXKBT-VIFPVBQESA-N 314.237 4.475 0 40 DIAB CCc1cccc(C)c1NC(=O)Cn1c(C)cc2ccccc21 15577563 VBHYFSLHIMRXHD-UHFFFAOYSA-N 306.409 4.459 0 40 DIAB CN(Cc1ccncc1)Cc1c(C2CCCC2)[nH]c2ncccc12 19586597 LQBLGXBXVNJRSW-UHFFFAOYSA-N 320.440 4.248 0 40 DIAB Cc1cc(C)cc(C(=O)N2CCCCC[C@H]2c2cccn2C)c1 25462046 IGFKUANSXFQQBM-IBGZPJMESA-N 310.441 4.399 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)cc1 35655059 PCPDEOZKRIYHGQ-ZMSDIMECSA-N 317.429 4.082 0 40 DIAB CC[C@H](NC(=O)c1ccccc1SC)c1ccc(OC)cc1 44900641 QWPWPFDFCZJJSN-INIZCTEOSA-N 315.438 4.298 0 40 DIAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CC[C@@H]1c1ccccc1 45120408 JIRGTWLKTWNDAO-MAUKXSAKSA-N 324.424 4.221 0 40 DIAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3cc(C)no3)co2)cc1 48262149 ZDJBIKHGQBMBAY-KRWDZBQOSA-N 323.396 4.284 0 40 DIAB CCSc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 69370177 RZMIFHYHTFVQNB-LSDHHAIUSA-N 316.401 4.075 0 40 DIAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72213403 HUTITWSVNHJLQT-QAPCUYQASA-N 323.440 4.269 0 40 DIAB CC(C)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 72216723 LOAPWGDINOWBKU-SFHVURJKSA-N 301.478 4.397 0 40 DIAB CCCn1c(C)nnc1CN[C@@H](C)c1ccc2ccccc2c1 95984198 DUMCLJLYMZJEKF-AWEZNQCLSA-N 308.429 4.001 0 40 DIAB C[C@@H](c1cccs1)N(C)C(=O)C[C@H]1CCOc2ccccc21 96410041 VIFYZMAFIJXSBD-UONOGXRCSA-N 315.438 4.224 0 40 DIAB O=C(C[C@H]1CC[C@@H](C(=O)O)CC1)c1ccccc1C(F)(F)F 100449326 RPFUTUFNRZCWPB-XYPYZODXSA-N 314.303 4.169 0 40 DIAB C[C@H](Sc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 102379391 DRMVBDRUIKPZNG-WFGGJUAMSA-N 309.450 4.247 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 103451880 YNHCZLQREPWMBW-ULQDDVLXSA-N 312.457 4.360 0 40 DIAB Cc1ccc([C@H](C)NC(=O)CCc2ccccc2Cl)cc1 105844493 ZHKSFDAMUKNTSL-AWEZNQCLSA-N 301.817 4.458 0 40 DIAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(C)O 118927775 AVCFDKPWPTVYSF-RACZYMRGSA-N 304.474 4.349 0 40 DIAB CCOc1cc(C(=O)OC)ccc1OCc1ccccc1Cl 216821699 CYTKOYFGEWBSCF-UHFFFAOYSA-N 320.772 4.104 0 40 DIAB FC(F)(F)Oc1cc2nc(C(F)(F)F)[nH]c2cc1Cl 219950862 AWKZJRKNTXLVRZ-UHFFFAOYSA-N 304.577 4.134 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)NCc1cccc2ccccc12 222825867 LZBIVPZKVSPFAR-JLHYYAGUSA-N 305.352 4.309 0 40 DIAB COc1ccc(C(=O)NC(C)C)cc1CSc1ccccc1 224320876 XWZZFJOVXURNLX-UHFFFAOYSA-N 315.438 4.126 0 40 DIAB CC[C@@H](C(=O)O)N(C)c1ccccc1Sc1ccccc1 225004216 BNDDUCYPTSOJQM-AWEZNQCLSA-N 301.411 4.137 0 40 DIAB Cc1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)n1 225496063 ABEIWAXFVNAUOX-MRXNPFEDSA-N 313.470 4.464 0 40 DIAB O=C(NCc1cccnc1-c1ccsc1)Nc1cccs1 225648311 AXABFEAWBANMBW-UHFFFAOYSA-N 315.423 4.193 0 40 DIAB Cc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225779193 RMIQCFFFMAVTHU-UHFFFAOYSA-N 320.845 4.014 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226324251 MBZAVQSHZFWNCO-ZDUSSCGKSA-N 311.429 4.101 0 40 DIAB CC(C)C(=O)N[C@]1(C)C[C@H](C(C)(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257314030 UVBSVWCOMCLTNR-DINLJIAVSA-N 309.494 4.157 0 40 DIAB CCCCOCc1c(Br)cnn1C1CCCC1 408715808 DZNUKCFZAKTUHU-UHFFFAOYSA-N 301.228 4.077 0 40 DIAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409105196 JSSBYWQXMGANNI-NTEUORMPSA-N 317.341 4.142 0 40 DIAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2o1 246324 INAATCSNDXYXOU-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)NC1CCCCC1 522075 MIYQYMXBYUYIOE-KRWDZBQOSA-N 315.388 4.390 0 40 DIAB CSc1nc(N2CCCC2)c2sc3ccccc3c2n1 1384004 OTMNWLDRKSYTOD-UHFFFAOYSA-N 301.440 4.167 0 40 DIAB CCCC[C@H](CC)C(=O)Nc1ccc(O)c(C(=O)OCCC)c1 2069847 NQHXFGMFIYMOGH-ZDUSSCGKSA-N 321.417 4.114 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C 3482788 OZTNUNXEZGXSCF-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB COc1ccc(COC(=O)c2oc3ccccc3c2C)cc1F 3518277 PIBMMBAKMBXLNN-UHFFFAOYSA-N 314.312 4.246 0 40 DIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)c1ccccc1 3582799 HVBQESDAAIASIT-NSHDSACASA-N 323.223 4.457 0 40 DIAB C[C@@H](CC(=O)O)CC(=O)NC1CCCCCCCCCCC1 4690752 SAJXJEPCXFRKAQ-OAHLLOKOSA-N 311.466 4.277 0 40 DIAB Cc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1Cl 6866156 DWASARAVXHDPEF-NVNXTCNLSA-N 315.731 4.132 0 40 DIAB CC(C)C(NC(=O)c1ccc(N2CCCCC2)cc1)C(C)C 7504711 XZCHGVHWICAZOR-UHFFFAOYSA-N 302.462 4.087 0 40 DIAB COc1cc(CNC2CC2)cc(Cl)c1OCc1cccs1 7539987 VGDUMCKJHHLVGF-UHFFFAOYSA-N 323.845 4.241 0 40 DIAB Cc1cc2nc(Sc3ccc(F)cc3)c3ccccc3n2n1 7735858 GYFVJBHGGSUZFB-UHFFFAOYSA-N 309.369 4.481 0 40 DIAB C[C@@H](OC(=O)Cc1noc2ccccc12)c1ccccc1Cl 7865050 LJGIZHWVQKNQCE-LLVKDONJSA-N 315.756 4.328 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc(F)c1 8221094 LLIRGZAXJIBKAH-ZDUSSCGKSA-N 302.418 4.133 0 40 DIAB Cc1nnc(SCc2nc3ccccc3o2)n1-c1ccccc1 8429811 TZRRGOOMNZPWAE-UHFFFAOYSA-N 322.393 4.009 0 40 DIAB O=C(/C=C/c1c(F)cccc1Cl)N1CCc2sccc2C1 10923746 RHLGGIXTUCECNQ-SNAWJCMRSA-N 321.804 4.139 0 40 DIAB CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 12794885 VJVSWJRPLSNXPL-HXUWFJFHSA-N 318.420 4.246 0 40 DIAB Cc1ccc(Oc2ccccc2NC(=O)c2ccncc2)cc1 12910481 MOECZYXSHJNMCF-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 13708394 QDPBCVVEHYFIBT-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1 13947704 XZDBRXSXWXEIBB-CYBMUJFWSA-N 318.442 4.013 0 40 DIAB O=C(Nc1cccc2cccnc12)c1cc2c(s1)CCCC2 14137573 ONXNAWVUMWQHNQ-UHFFFAOYSA-N 308.406 4.427 0 40 DIAB CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)csc1N 19231948 AFZMELADLMEJDJ-UHFFFAOYSA-N 315.316 4.193 0 40 DIAB C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Br)c1 20025398 HRXWPWFTFICUPF-JTQLQIEISA-N 322.177 4.079 0 40 DIAB C[C@H](CNC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 29202757 VYZFTEVOWKBXSA-QGZVFWFLSA-N 307.437 4.418 0 40 DIAB NC(=O)/C=C\c1ccccc1OCc1ccc(Cl)cc1Cl 44263056 DZUHPTCEMFARBN-VURMDHGXSA-N 322.191 4.071 0 40 DIAB Cc1ccsc1CN(C)C(=O)c1cc2ccccc2cc1O 48261158 KLFSZADVQRUICQ-UHFFFAOYSA-N 311.406 4.188 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 58394192 FVYFXFWGVDRFIX-QAKOANENSA-N 324.424 4.429 0 40 DIAB Cc1ccc(Oc2ccc(C(=O)NCCc3ccccc3)o2)cc1 72260112 JSOYPKHXVLSWEB-UHFFFAOYSA-N 321.376 4.353 0 40 DIAB C[C@@H](NC(=O)c1ccc2ncccc2c1)c1cc2ccccc2o1 75126025 UUHVYKFDZWMDBF-CYBMUJFWSA-N 316.360 4.472 0 40 DIAB Clc1c(-c2nc(-c3cnccn3)no2)sc2sccc12 84509643 QMDDKTUSBRVCKZ-UHFFFAOYSA-N 320.786 4.123 0 40 DIAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)s1 95117783 OVLLIXYMNBRQBL-ZDUSSCGKSA-N 308.406 4.155 0 40 DIAB CCCC[C@H](CC)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 95418243 LMKLPCFMDRXSKF-KGLIPLIRSA-N 307.409 4.120 0 40 DIAB CC(C)c1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 102564601 KHXGRNUSQSCJOM-LJQANCHMSA-N 316.408 4.458 0 40 DIAB CCOc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 102956446 QJFOPNOLIOPAPA-AXHNFQJDSA-N 301.430 4.030 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)C(F)(F)F 103595968 WYMLOCHHKMMBLA-UHFFFAOYSA-N 323.698 4.432 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2C(=O)O 118924804 QKXFBVMFKBSRTD-NKURYSMOSA-N 318.457 4.011 0 40 DIAB CC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2C(C)=CC1(C)C 223199164 JSOYBESHHHSMAZ-AWEZNQCLSA-N 307.821 4.294 0 40 DIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1 225159491 AEBCLMPEQCMBMC-OAHLLOKOSA-N 315.457 4.172 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1 225388004 YIDXDHSYGFHNFS-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB Cc1cccc(Cl)c1NC(=O)c1cc2ccccc2nc1N 252492205 MFMLONHHEZRYAQ-UHFFFAOYSA-N 311.772 4.031 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260619430 LPSXAOQQAAQIQS-HIFRSBDPSA-N 319.445 4.129 0 40 DIAB CCc1cccnc1NC(=O)c1scnc1C1CCCC1 273614625 PLENRERIZHAUQU-UHFFFAOYSA-N 301.415 4.010 0 40 DIAB COCOc1c(Cl)cc(Br)cc1C(F)(F)F 1083800053 XHFNMJRNMYMAKL-UHFFFAOYSA-N 319.504 4.104 0 40 DIAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1 111977 AGOLBKCUFCQBBN-UHFFFAOYSA-N 324.376 4.484 0 40 DIAB biogenic Cc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 383769 HHMQRNPMHWTNKN-UHFFFAOYSA-N 316.356 4.445 0 40 DIAB CCOc1ccc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 421157 FFYAKVFWIWMODS-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB CC(C)(C)c1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 567921 LHEYNJPHRXNSJQ-UHFFFAOYSA-N 300.427 4.456 0 40 DIAB Cc1ccccc1-n1c(S)nnc1-c1ccc2ccccc2n1 1266793 MOXHKAYPCUIFIO-UHFFFAOYSA-N 318.405 4.080 0 40 DIAB CC[C@H](c1ccc(OC)cc1)[C@](O)(CC)c1ccc(OC)cc1 1640782 SVTHZCYFDSJXPQ-UXHICEINSA-N 314.425 4.495 0 40 DIAB O=C(O[C@H]1CCCCC1=O)c1ccccc1Oc1ccccc1 3290921 RNMVRPYKJORQCT-SFHVURJKSA-N 310.349 4.147 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1 5510759 GSJFLQIJOCGBPQ-LLVKDONJSA-N 323.314 4.205 0 40 DIAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 5557849 POBYYEUDOHZSEQ-UHFFFAOYSA-N 323.373 4.387 0 40 DIAB COc1ccccc1C(=O)Nc1cc(-c2ccccc2)ccc1O 5721186 SETIQKOAULYKCI-UHFFFAOYSA-N 319.360 4.320 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)COc1nc2ccccc2s1 6719636 BFZWHNYFWRFXAU-UHFFFAOYSA-N 322.389 4.348 0 40 DIAB Cc1ccc(C)c(NC(=O)CSC[C@H]2CC2(Cl)Cl)c1 6850596 PQZCRIAAFCEDPV-LLVKDONJSA-N 318.269 4.169 0 40 DIAB CCc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1 7584017 FDYOQLJNMXHGCG-LBPRGKRZSA-N 302.418 4.436 0 40 DIAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3)sc2c1 9109694 CJKOGEVAXABYEX-LBPRGKRZSA-N 312.394 4.011 0 40 DIAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(C)C)CC2 9836659 HUHFOHWNMVLOFB-HXUWFJFHSA-N 311.425 4.060 0 40 DIAB O=C(Oc1ccccc1Br)c1cc2ccccc2o1 13141622 DHQVPGCORJLAHV-UHFFFAOYSA-N 317.138 4.415 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1 13816155 AMMRKWXIFCKVDM-LLVKDONJSA-N 306.381 4.321 0 40 DIAB COc1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 13930839 ZAMPOVOUOLYNQQ-CQSZACIVSA-N 314.454 4.360 0 40 DIAB COc1cc(OC)c(OC)cc1/C=C/c1nc2ccccc2o1 17061439 REFLJZKYKCSIII-CMDGGOBGSA-N 311.337 4.024 0 40 DIAB Cc1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2ccccn12 19240680 IUDHUCXNBOUHGX-KRWDZBQOSA-N 323.415 4.161 0 40 DIAB COc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1C 21877011 KGNGSMADNBEORR-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB C[C@@H](NC(=O)CCc1cccs1)c1ccc2c(c1)CCCC2 21934043 WBMAIFRHAOSGCR-CQSZACIVSA-N 313.466 4.437 0 40 DIAB c1ccc(CNC[C@H](NCc2ccccc2)c2ccccc2)cc1 23477018 PMEZXKXUCLALIY-QFIPXVFZSA-N 316.448 4.307 0 40 DIAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1ccc(F)cc1 25106382 INRWZZJPTXKFIQ-JWAFFJSPSA-N 313.372 4.067 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccccc1Cl)C2 36390384 HZUDWFYGQNPAEI-DWQUBVKVSA-N 321.848 4.050 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 40525669 CAQHXCLVVAZHBJ-JTQLQIEISA-N 320.742 4.455 0 40 DIAB CCC[C@@H](C)N(C)C(=O)Nc1cc(NC(=O)C(C)C)ccc1C 48256091 QOQZIVLSDZPOFP-CQSZACIVSA-N 319.449 4.242 0 40 DIAB COCC1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)CC1 72281320 SHKGCSHXHCXHOG-CYBMUJFWSA-N 322.474 4.001 0 40 DIAB CCN(CC)Cn1c(C(=O)c2ccccc2)c(C)c2ccccc21 72434058 PNBUUIVOGWPWKY-UHFFFAOYSA-N 320.436 4.480 0 40 DIAB Nc1cccc(-c2nc3ccc(Br)cc3s2)c1 73639114 MAVGHGWGFWYVSN-UHFFFAOYSA-N 305.200 4.308 0 40 DIAB C[C@@H](OC(=O)c1ccccc1)c1nc2cc(Cl)ccc2n1C 75104072 IQLTUHPVTNOJTP-LLVKDONJSA-N 314.772 4.145 0 40 DIAB CCC(CC)c1cc(C(=O)N2CCCc3cccc(F)c32)on1 75146166 GUFHLPAKYKCBBV-UHFFFAOYSA-N 316.376 4.310 0 40 DIAB CN(C(=O)C1(Sc2ccccc2)CCCC1)c1nccs1 78611098 KJDVEXXVGOTXDG-UHFFFAOYSA-N 318.467 4.211 0 40 DIAB CCc1ccc(C[C@H](Sc2ccc(C)cc2)C(=O)O)cc1 225044123 JEVXVBPGTXQDAQ-KRWDZBQOSA-N 300.423 4.345 0 40 DIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccs1 225122093 BGAPQINUWVURRO-UHFFFAOYSA-N 309.456 4.087 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C 225260621 LCLXIXHWSMLXKS-CQSZACIVSA-N 301.817 4.377 0 40 DIAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCC)c(C)c1 225897849 NYUQMGHRHOQLHY-GOSISDBHSA-N 322.449 4.103 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)cc1N 226304378 SGSFKCFVHMIVDA-UHFFFAOYSA-N 318.376 4.040 0 40 DIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 119830 VQPPCWQBNXUGJV-UHFFFAOYSA-N 313.360 4.482 0 40 DIAB C[C@H]1CCc2c(sc3ncnc(NCc4ccccc4)c23)C1 1972729 JSRVRBABKSXEMB-LBPRGKRZSA-N 309.438 4.428 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2648721 QRMIIFRUGCOUBX-HZPDHXFCSA-N 311.425 4.456 0 40 DIAB Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1 3038614 CPDJBVPVWYTRMR-OAHLLOKOSA-N 318.420 4.294 0 40 DIAB O=C(NCc1cccs1)c1ccc(Oc2ccccc2)cc1 3349491 MKDSQADUBAQASF-UHFFFAOYSA-N 309.390 4.470 0 40 DIAB CC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 3446868 BMZZUJBXUHIYKF-UHFFFAOYSA-N 313.784 4.213 0 40 DIAB Cc1cc(C(=O)CCC(=O)Nc2cccc(F)c2)c(C)s1 3456165 KTKPZQAKSOQQSQ-UHFFFAOYSA-N 305.374 4.106 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)sc1Cl 4173502 WRFSYKQHNWZFMB-UHFFFAOYSA-N 316.165 4.036 0 40 DIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4938140 ARBYJWIZNXNAEM-CQSZACIVSA-N 302.761 4.021 0 40 DIAB CN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 5659578 MEMHFQBQMZIIIW-UHFFFAOYSA-N 317.816 4.158 0 40 DIAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc2ccccc2c1 6652113 MWNOIGIGMVYTHD-CQSZACIVSA-N 307.368 4.399 0 40 DIAB Cc1ccc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 9711029 HKNWYGRSELNIQT-AWEZNQCLSA-N 308.381 4.302 0 40 DIAB Cc1cc(C)n(-c2ccc(S[C@H](C)c3ccccc3)nn2)n1 11140666 JCYAZDMHCBWKNF-CQSZACIVSA-N 310.426 4.132 0 40 DIAB CC(C)Oc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 20459888 ZRWMFCGWQMZJMX-UHFFFAOYSA-N 317.816 4.399 0 40 DIAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCCC[C@H]1C 24475361 RRFSSPXSIYIAKV-KDOFPFPSSA-N 308.425 4.366 0 40 DIAB c1ccc(Cn2ncc3c2CCC[C@H]3NCc2cccs2)cc1 27223078 LWDOGHGAUDNPDV-GOSISDBHSA-N 323.465 4.160 0 40 DIAB O=C(CCCc1nc2ccccc2o1)Nc1cccc(Cl)c1 31809628 RIFPVHVKJKVOEB-UHFFFAOYSA-N 314.772 4.443 0 40 DIAB CCOP(=O)(OCC)/C(=C\c1cccs1)CC(C)=O 31872162 RQQLCFCIIBYIMJ-BENRWUELSA-N 302.332 4.334 0 40 DIAB CCOc1ccc(NCc2ccc(OC)c(OCC)c2)cc1 32186681 PAUJZRUPTUWRSB-UHFFFAOYSA-N 301.386 4.105 0 40 DIAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1c1ccccc1 32889960 JTHPCWCMPLENSC-INIZCTEOSA-N 303.764 4.456 0 40 DIAB C[C@H](N[C@H](C)c1ccc(F)cc1)c1nnc(-c2ccccc2)o1 44874327 FJYBPSAYQPCJKT-OLZOCXBDSA-N 311.360 4.288 0 40 DIAB CCOc1ccc(CN(C)Cn2cc(-c3ccccc3)cn2)cc1 58438729 HFZMSGPJPAESFF-UHFFFAOYSA-N 321.424 4.038 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc(C)cc1 59351830 VENVDNCEZIJNAI-GOSISDBHSA-N 311.425 4.258 0 40 DIAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 63848773 IQOQPHVSGYRCQU-UHFFFAOYSA-N 323.417 4.179 0 40 DIAB CC(C)c1ccsc1C(=O)NCC1(N(C)C)CCCCCC1 64709935 NMPSSGCDGZVAJN-UHFFFAOYSA-N 322.518 4.256 0 40 DIAB Cc1ccccc1-c1noc([C@@H](C)Oc2cccc(F)c2F)n1 72920427 HUPSQLOTJDUHSB-LLVKDONJSA-N 316.307 4.463 0 40 DIAB Clc1cnccc1CN1CC[C@H](CSc2ccccc2)C1 75964621 ZAKYCCAESPTJEA-AWEZNQCLSA-N 318.873 4.349 0 40 DIAB CCOc1c(Cl)cc(Br)cc1Br 90413491 OQMRAJYZUCEUTQ-UHFFFAOYSA-N 314.404 4.264 0 40 DIAB CCN(C(=O)CC1CCSCC1)[C@@H](c1cccnc1)C(C)C 95416906 MFWWUDUESWOONG-GOSISDBHSA-N 320.502 4.161 0 40 DIAB CC[C@@](CNC(=O)c1ccccc1Cl)(OC)c1ccccc1 96123694 LRVGYOXMTTWKBD-SFHVURJKSA-N 317.816 4.022 0 40 DIAB CC(C)c1nnc(CNc2c(Cl)cc(F)cc2Cl)o1 97081237 ZAEWJTRAANKNMG-UHFFFAOYSA-N 304.152 4.251 0 40 DIAB C[C@@H]1CCc2sc3c(c2C1)C(=S)N[C@]1(CCC[C@@H](C)C1)N3 170622669 BRBYVAZQXIYOLV-CZIZLABSSA-N 320.527 4.470 0 40 DIAB CCOP(=O)(OCC)O[C@H](c1ccc(OC)cc1)C(F)F 222064419 MCTVDRZLISTTQI-GFCCVEGCSA-N 324.260 4.199 0 40 DIAB CC[C@@H](C(=O)OC)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223200461 SYTSKBQJFRYFAR-FZMZJTMJSA-N 309.837 4.384 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCC1=CCCCC1 224439770 UEOIUOQYIKSQRU-HNNXBMFYSA-N 307.821 4.114 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(C)c2C)C(=O)O)c1 225023381 JUQIKXZUMKUEEG-IBGZPJMESA-N 312.409 4.303 0 40 DIAB Cc1cccc(O[C@H](Cc2cccc3ccccc23)C(=O)O)c1 225047775 RUOWNYGWOGCOBP-LJQANCHMSA-N 306.361 4.223 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)cc1 225729236 VFYSZABFXFGBPM-KDOFPFPSSA-N 307.434 4.398 0 40 DIAB COc1ccccc1NC(=O)Nc1cccc(OC(C)C)c1 225768060 YQNVGZLOCKOUHU-UHFFFAOYSA-N 300.358 4.126 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c2ccccc12 225839815 IOHHECBLTIMTPB-LJQANCHMSA-N 315.413 4.382 0 40 DIAB Cc1cc(-c2nc3cc(N)cc(C)c3o2)ccc1Br 226239667 XHBPXZUSUHZHPA-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB CNc1ccc2nc(-c3cccc(Br)c3)oc2c1 226270817 WOXGKKDWYFACJN-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB O=C(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl 74921 RSVQDLQEPJXEAV-UHFFFAOYSA-N 307.391 4.302 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C 184257 ROWBKNSALOBOBL-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 352738 ITYQLDHQWCRICG-ZWKOTPCHSA-N 319.832 4.372 0 40 DIAB CCCOc1ccc2nc(C)c(CCC)c(SC(=N)N)c2c1 1791991 HLCDMZNVBJQEFI-UHFFFAOYSA-N 317.458 4.270 0 40 DIAB O=c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc2ccccc12 2476040 WMFDCMTYCGPZOP-UHFFFAOYSA-N 312.193 4.156 0 40 DIAB O=C(CCCSc1ccc(Cl)cc1)Nc1nccs1 3549653 DJMICVJBXOVOJL-UHFFFAOYSA-N 312.847 4.308 0 40 DIAB CCCCCc1nnc(NC(=O)/C=C/c2cccc(F)c2)s1 3557753 ZPSYIRDRSXOJFB-MDZDMXLPSA-N 319.405 4.062 0 40 DIAB COc1ccc(C)c2sc(NC(=O)c3cccc(F)c3)nc12 4330856 NSQULECHNYWABJ-UHFFFAOYSA-N 316.357 4.005 0 40 DIAB Cc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 5337898 OHNLCQVIUPPSMC-UHFFFAOYSA-N 302.337 4.337 0 40 DIAB Brc1ccc(CSc2nc3ncccc3[nH]2)cc1 5687398 ZYJFGTVYKJWTNA-UHFFFAOYSA-N 320.215 4.013 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1F 5702173 MXJMNNNDMZOFDI-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)c1 6478738 HPIIZMPNSJLKHK-OQLLNIDSSA-N 313.378 4.133 0 40 DIAB Cc1cc(C)c2oc(C(=O)Nc3ccc(C)c(C)c3)cc(=O)c2c1 6811316 UWLJMIJFPFORNZ-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(F)cc3F)cc2s1 6852563 VAUBYKNEXOZZMY-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB Cc1cc2nc(NCCC3=CCCCC3)c3ccccc3n2n1 7777099 ZHZFNIRSPOGPNB-UHFFFAOYSA-N 306.413 4.493 0 40 DIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 8007495 QTTVPZSBVRIZMA-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc(SC)cc2)cc1F 8049317 DCTIKODPEMSHDB-ONNFQVAWSA-N 317.385 4.208 0 40 DIAB O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 8612412 BJCSMQPYOYCSAQ-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB C[C@@H](NC(=S)Nc1ccccc1OC(F)F)C(C)(C)C 8687940 HVSIKBYHUDFOEQ-SECBINFHSA-N 302.390 4.009 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(C)nc2c1 9456182 HOLOOIFKYYASTK-UHFFFAOYSA-N 316.744 4.051 0 40 DIAB Cc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccccc1)C3 12236789 KNLBYFSLJAHXBR-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1F 12624268 IIDBARXSNYYIMI-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB O=C(N[C@@H](c1ccc2c(c1)CCC2)c1cccs1)c1ccoc1 12625061 XMQHCIBVQTUCEF-SFHVURJKSA-N 323.417 4.349 0 40 DIAB CCCc1n[nH]c(SCc2nc(-c3ccccc3)oc2C)n1 14846488 PFEDMCJJJJCFAZ-UHFFFAOYSA-N 314.414 4.013 0 40 DIAB CCNc1nc(SCC(=O)c2ccccc2)nc2ccccc12 16397297 JZKSZYDPYCWXMB-UHFFFAOYSA-N 323.421 4.037 0 40 DIAB Cc1ccc(NC(=S)NCCSc2ccccc2)c(C)c1 18165615 NHVOCMUMDXWWEJ-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C)ccc1C 22517601 IZFVCHYCEPOQBK-GOSISDBHSA-N 313.397 4.108 0 40 DIAB CCC(C)(C)NC(=O)c1ccc(OCc2cccs2)cc1 40073496 HWMNFIYKTVRANU-UHFFFAOYSA-N 303.427 4.246 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCc1ccccc1OC 40098986 PKAMQGVVOHNRBI-UHFFFAOYSA-N 312.413 4.142 0 40 DIAB Clc1ccccc1CNCc1sccc1Br 43674614 DJOMVRYJALFXFF-UHFFFAOYSA-N 316.651 4.454 0 40 DIAB Cc1noc(C)c1C(=O)N(CCc1ccccc1)c1ccccc1 60129582 VDEWWSMQOHSPAI-UHFFFAOYSA-N 320.392 4.181 0 40 DIAB O=C(c1ccsc1)N(CCc1ccccc1)Cc1ccccn1 62017874 GDCSFEWHCLERSQ-UHFFFAOYSA-N 322.433 4.028 0 40 DIAB CCCC(C)(C)NC(=O)c1sc(-c2ccc(C)o2)nc1C 65041458 UXSIDXFGFQHRGT-UHFFFAOYSA-N 306.431 4.328 0 40 DIAB O=C(Nc1cccc2[nH]ccc12)N(Cc1cccs1)C1CC1 71803387 ZQKFFKFFEUJCCT-UHFFFAOYSA-N 311.410 4.426 0 40 DIAB COC(=O)c1cc(OCc2ccc(C)cc2)c2cc(C)oc2c1 72228376 ZLWPYPQORQVJLX-UHFFFAOYSA-N 310.349 4.415 0 40 DIAB Cc1cccc(NCc2nc(-c3ccsc3)no2)c1Cl 72912856 VLYWBFWZEDOZAA-UHFFFAOYSA-N 305.790 4.372 0 40 DIAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2C)cc1 85430367 UOGPNTAKUVRBHS-KRWDZBQOSA-N 304.393 4.437 0 40 DIAB CCCn1c(-c2cnn(Cc3ccccc3)c2)nc2ccccc21 89960704 JIDHGLBHENLIQC-UHFFFAOYSA-N 316.408 4.358 0 40 DIAB CC(C)Oc1cccc(CNc2ncccc2OC(F)F)c1 97143603 YHPYXIDJOOBVIN-UHFFFAOYSA-N 308.328 4.082 0 40 DIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c(C)c1 225364209 MZNXRBHKIGDRBM-UHFFFAOYSA-N 323.392 4.107 0 40 DIAB c1cc(CN2CCCC[C@H]2c2ncn3ccsc23)cs1 257247595 IZPQJYVBJJBHFT-ZDUSSCGKSA-N 303.456 4.185 0 40 DIAB COc1cc(C(=O)COc2ccccc2)c(Cl)cc1Cl 575243073 WMPOYBUSTQIWAK-UHFFFAOYSA-N 311.164 4.264 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(C(F)(F)F)cc1Cl 575361499 LRIXLZKYYPHZFB-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1nc2ccccc2s1 575610954 ROPBPHQPCZODGS-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1Cl 70999 LSHFLRQQOZHBNO-NJLIKGMNSA-N 309.752 4.350 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1 271275 XBPFNKJWZZVAMO-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB O=c1c2ccc(F)cc2sn1-c1ccc(Cl)cc1Cl 1430596 BMVZJARKWWUXIS-UHFFFAOYSA-N 314.168 4.498 0 40 DIAB O=C(O)c1c2c(cc3c(=O)cc(-c4ccccc4)oc13)CCCC2 1620496 VUCCSVCKXQGXSM-UHFFFAOYSA-N 320.344 4.037 0 40 DIAB CCCCC[C@@H]1C[C@H](CSc2nc3ccccc3[nH]2)OC1=O 2375186 OTOSIXWPCRAVKE-CHWSQXEVSA-N 318.442 4.167 0 40 DIAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccn[nH]1 4002799 MCZMSSSDSPOYGI-ZCFIWIBFSA-N 307.728 4.330 0 40 DIAB COc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCO4)cc1 4090612 LBGUQHLZUSSCSB-UHFFFAOYSA-N 319.360 4.116 0 40 DIAB biogenic CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@H]12 4166447 KDPQTPZDVJHMET-GNBUJSLZSA-N 312.409 4.037 0 40 DIAB in-vitro O=C(OCc1coc(-c2cccs2)n1)c1cc2ccccc2[nH]1 5037058 QRARWLRMRCFEEF-UHFFFAOYSA-N 324.361 4.241 0 40 DIAB CCOc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 5464681 YQSPARCUTTVBST-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB O=C(Nc1ccc(F)cc1F)Nc1ncc(Cl)cc1Cl 6939515 HNXCOALUTCBEMY-UHFFFAOYSA-N 318.110 4.311 0 40 DIAB CCOc1ccc(-c2nc(CNC3CCCC3)cs2)cc1 7813827 REDBPZVNYZRIPV-UHFFFAOYSA-N 302.443 4.241 0 40 DIAB CCOc1ccc(NC(=O)CCSc2ccccc2)cc1 8286156 VAWBVKURUCAOBC-UHFFFAOYSA-N 301.411 4.206 0 40 DIAB CCOc1cccc(CNCC(C)C)c1OCc1ccccc1 8325501 RRGDEEFFMFKMTG-UHFFFAOYSA-N 313.441 4.410 0 40 DIAB Cc1cccc(CSc2ncc(CO)n2Cc2ccccc2)c1 9529113 QWJZWIPSNYDFIC-UHFFFAOYSA-N 324.449 4.024 0 40 DIAB COc1ccccc1CNC(=O)N[C@H](C)c1cc2ccccc2o1 9710862 RKVQCLJBEDEKHG-CYBMUJFWSA-N 324.380 4.002 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc(NC3CC3)sc2C)cc1 12797668 FFPNNRJGLYLBJS-UHFFFAOYSA-N 315.442 4.431 0 40 DIAB COc1ccccc1CNC(=O)C1CCC(C(C)(C)C)CC1 12800519 WOXBFRAJBZSJSS-UHFFFAOYSA-N 303.446 4.164 0 40 DIAB CCc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1 16101231 FBESKIOZVSWTJB-UHFFFAOYSA-N 309.818 4.012 0 40 DIAB Clc1cc2c(c3ncccc13)OCN(Cc1ccccc1)C2 19358592 KESMFLPMOPKQCF-UHFFFAOYSA-N 310.784 4.240 0 40 DIAB C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(F)cc1 20041000 FZXYQNOWCGHYFI-CYBMUJFWSA-N 303.402 4.185 0 40 DIAB CCOc1ccc(Cl)cc1CNCCc1ccc(OC)cc1 22074615 LWPBNKXWMGGVMM-UHFFFAOYSA-N 319.832 4.080 0 40 DIAB Cn1c(Cl)cnc1CSc1nc(-c2ccccc2)cs1 27543427 BBKFSIOHDNJPID-UHFFFAOYSA-N 321.858 4.489 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 33191575 RMHDVJVNZPZBIO-UAWPZABVSA-N 321.829 4.301 0 40 DIAB O=C(CCCSc1ccccc1)N1CCc2ccccc2C1 40159852 JTVFWKAHDXKGGO-UHFFFAOYSA-N 311.450 4.144 0 40 DIAB Cc1ccc(C)c(CC(=O)NCCSC2CCCCC2)c1 44947474 CVNQTXWDOCOORL-UHFFFAOYSA-N 305.487 4.028 0 40 DIAB CCOC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 45920068 SNIGXKLTTFWXSP-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB COc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 55142444 WEMDFSDQGQDTMA-UHFFFAOYSA-N 313.441 4.283 0 40 DIAB C[C@H](NC(=O)N(C1CC1)[C@@H](C)C1CC1)c1csc(C2CC2)n1 74206124 RPYUSFADXAZAQE-QWRGUYRKSA-N 319.474 4.054 0 40 DIAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc(C)cc2)cc1 223450272 GUQNWVYPFGSSQU-SDNWHVSQSA-N 323.436 4.156 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223663931 QWKQLQUHPXBTEK-UHFFFAOYSA-N 311.425 4.101 0 40 DIAB CCCOc1ccc(Cl)cc1C(=O)NCc1ccccc1 408585744 HXAVDZMIDTZGSD-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB Clc1cccc(-c2nc(C3OCCO3)cs2)c1Cl 585120657 CFULOTMKDVCDIX-UHFFFAOYSA-N 302.182 4.162 0 40 DIAB O[C@H]1CCCc2nc3ccccc3c(NCc3ccccc3)c21 4267 HERUZAOANPGYSY-SFHVURJKSA-N 304.393 4.217 0 40 DIAB in-man C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 35984 CDPPLUXLEPLBEO-BXUZGUMPSA-N 324.262 4.394 0 40 DIAB O=C(c1c(Cl)cccc1Cl)N1CCc2ccccc2C1 265942 PYYSMUJPGSNBND-UHFFFAOYSA-N 306.192 4.192 0 40 DIAB Brc1ccc(C2=NO[C@H](c3cccs3)C2)cc1 536762 JNCUVQHTTIPFIQ-LBPRGKRZSA-N 308.200 4.376 0 40 DIAB Cc1cc(C)n2cc(COc3ccc4ccccc4c3)nc2n1 564637 WTSPUFXAMKYVDI-UHFFFAOYSA-N 303.365 4.078 0 40 DIAB CCCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 2436750 DPOQPWYKFRQYMG-UHFFFAOYSA-N 306.369 4.430 0 40 DIAB FC(F)(Br)[C@](F)(Br)c1ccccc1 2560096 ZZYJTIGMBINNQL-ZETCQYMHSA-N 317.930 4.192 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1ccc(CSC)cc1 3341558 TVUWPPTYKCGKPM-UHFFFAOYSA-N 321.829 4.464 0 40 DIAB COc1ccc(CSc2ncnc3ccccc23)cc1F 3515294 YOLDPTPMEVOSDB-UHFFFAOYSA-N 300.358 4.070 0 40 DIAB CCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 4385585 FEKRAAFGAUGVTA-UHFFFAOYSA-N 310.397 4.054 0 40 DIAB CC(C)[C@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]32O)C1 4403825 ZWDCUZKMRDIFAX-GNVSMLMZSA-N 308.506 4.389 0 40 DIAB COc1ccccc1OCCCn1cc(C(C)=O)c2ccccc21 4450603 QEVGVHHPZISGLG-UHFFFAOYSA-N 323.392 4.322 0 40 DIAB C[C@H](Sc1nc2ccccc2o1)C(=O)c1ccc(F)c(F)c1 5033992 ZDORSIXJJRYBGC-VIFPVBQESA-N 319.332 4.470 0 40 DIAB COc1ccc(-c2cnc3c(-c4cccs4)cnn3c2)cc1 6745565 RWLKRZROMMQKIY-UHFFFAOYSA-N 307.378 4.133 0 40 DIAB Cc1c(C(C)C)c2ccccc2n1CC(=O)NCCC(C)C 6959853 VHFCSEDUWKHDHT-UHFFFAOYSA-N 300.446 4.235 0 40 DIAB O=C(Nc1ccccc1)c1ccc(CN2CCCCCC2)cc1 7016078 JDSHRESXWBORPT-UHFFFAOYSA-N 308.425 4.315 0 40 DIAB COCc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 7667056 HLFJXRQUMUAQDW-UHFFFAOYSA-N 309.287 4.104 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 11749941 FRAZNSXBUYNLAU-UHFFFAOYSA-N 319.326 4.167 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(F)cc1 15316812 DAWQAGGXAHLVQC-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB Cc1onc(-c2ccc(Cl)cc2)c1-c1ccnc(S)n1 15924070 CPMAFFSFSCPOIQ-UHFFFAOYSA-N 303.774 4.049 0 40 DIAB O=C1CCCc2c1c(Nc1ccccc1F)nn2-c1ccccc1 17055689 KDRRAXCNULEWCJ-UHFFFAOYSA-N 321.355 4.274 0 40 DIAB COc1cccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 29239907 LTZHHLFGHYSWAG-LLVKDONJSA-N 323.314 4.205 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(F)c1 30752909 JXXJATLRWNNGCN-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CCOc1ccc(N[C@H](C)c2ccccc2Cl)cc1CO 37901490 PAEABEUEZLJRNM-GFCCVEGCSA-N 305.805 4.404 0 40 DIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3)cc2c1 40954603 KLSTVAQJRQHMEW-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB O[C@@H](CN(Cc1cccs1)C1CC1)c1ccccc1Cl 46054388 GIEUBQDYIINCTP-INIZCTEOSA-N 307.846 4.100 0 40 DIAB Cc1ccsc1CN(C)C(=O)Cc1c(F)cccc1Cl 47531770 QPDUTSAXBOGUFK-UHFFFAOYSA-N 311.809 4.050 0 40 DIAB CC(C)(C)c1cn2nc(N[C@H]3CCc4ccccc43)sc2n1 69351688 AJWDEFZYHUYVLH-ZDUSSCGKSA-N 312.442 4.188 0 40 DIAB Cc1cc(N[C@@H](C)c2ccc3c(c2)OCO3)nc2ccccc12 69740261 MFHMBSRMUZMMMU-ZDUSSCGKSA-N 306.365 4.445 0 40 DIAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccncc1 70727095 YHROCOCAJGKBJF-ZDUSSCGKSA-N 300.427 4.073 0 40 DIAB Fc1ccc(Cl)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 71761481 YZVFVEGHKZJBFQ-UHFFFAOYSA-N 324.764 4.017 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ccc(F)cc1 89212783 BYTDPTQQKFPTIN-HNNXBMFYSA-N 308.397 4.027 0 40 DIAB CC(C)(C)OC(=O)n1c([C@@H](O)C(F)(F)F)cc2ccccc21 91352961 YGBOPYYFRRIEJT-GFCCVEGCSA-N 315.291 4.020 0 40 DIAB FC(F)(F)[C@@H]1CCCN(Cc2csc(-c3ccco3)n2)C1 95348760 CCZLFZWMSBFUDA-SNVBAGLBSA-N 316.348 4.177 0 40 DIAB CN(C(=O)c1cnc(C2CC2)s1)c1ccc2ccccc2c1 95948365 ATIOKVNOQHRJTC-UHFFFAOYSA-N 308.406 4.450 0 40 DIAB CC[C@H](C(=O)OC)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223200915 SCRBBRIMBXTYJW-GOEBONIOSA-N 303.446 4.347 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Cc1cccc(Cl)c1 223247632 JLMZCAUFAJEDIY-UHFFFAOYSA-N 301.817 4.020 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(F)c1 223581807 DQQHXQYCCDBEPA-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB Cc1cccc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225079310 VABCZANCEAFXGT-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB O=C(CCc1ccc(Cl)cc1)NCCCOC1CCCCC1 225308862 KWWHKELQUUYZSF-UHFFFAOYSA-N 323.864 4.128 0 40 DIAB CCOc1ccc(CNC(=S)Nc2ccccc2Cl)cc1 225429282 ZBUSJNYHYICENP-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1c(F)cccc1F 225514185 VLNGREQYKIVRIM-LBPRGKRZSA-N 320.408 4.273 0 40 DIAB Cc1ccc([C@@H](NC(=S)Nc2cccnc2)C(C)C)c(C)c1 225766517 VIAUDJRZNMEHNY-KRWDZBQOSA-N 313.470 4.382 0 40 DIAB O=C(Nc1ccccc1)c1snnc1-c1ccc(Cl)cc1 225769265 SPAQOOWOVKUGQZ-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)O 253497607 WYZDXEKUWRCKOB-DKGRFTTNSA-N 304.474 4.349 0 40 DIAB biogenic C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@H]2CCCOC2)o1 521393876 FKWFHJJFNHIRGE-CJNGLKHVSA-N 324.380 4.257 0 40 DIAB CCCc1ccc(C(=O)NCc2cncc(-c3ccoc3)c2)cc1 575619378 FCYCRNSQFCXKJU-UHFFFAOYSA-N 320.392 4.224 0 40 DIAB Nc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 355919 JHJJLDJSGLGZET-UHFFFAOYSA-N 319.389 4.284 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2s1 3352012 RNPNOUBNSWFJSL-UHFFFAOYSA-N 319.389 4.405 0 40 DIAB Cc1ccc(C)c(C(=O)COc2cccc3c2OC(C)(C)C3)c1 3451720 NQQMOAKJLRYQKY-UHFFFAOYSA-N 310.393 4.279 0 40 DIAB C[C@H]1C[C@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)CN1C 4011833 ADUJECNUNSENPU-LLGFUMIMSA-N 323.436 4.099 0 40 DIAB Cc1cc2cc(CNC(=O)c3cccc(Cl)c3)ccc2n1C 4061507 JKYBJTHLZNQHKG-UHFFFAOYSA-N 312.800 4.070 0 40 DIAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCCCC1 4247769 QJYUEUWLUZNUPR-FQEVSTJZSA-N 305.425 4.447 0 40 DIAB O=C1N=NC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 5846871 XYTGQZZBWOWKTA-UHFFFAOYSA-N 311.141 4.236 0 40 DIAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)c2ccccc2Cl)c1 5989995 MWWNNXOHILQTGK-NSHDSACASA-N 317.772 4.216 0 40 DIAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccsc1 6549351 XVCPKFMKQWMFTG-UHFFFAOYSA-N 303.427 4.235 0 40 DIAB CCc1nonc1NC(=O)c1sc2cc(C)ccc2c1Cl 6743410 CKGJVAARPBWCSK-UHFFFAOYSA-N 321.789 4.061 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 6790496 DVTIRHAZQUARFD-UHFFFAOYSA-N 307.271 4.160 0 40 DIAB CCc1ccc2c(CC(=O)Nc3ccccc3C(C)=O)coc2c1 7014676 VQRUHHFKINVGFH-UHFFFAOYSA-N 321.376 4.379 0 40 DIAB COc1ccc(C)cc1/C=C/C(=O)N[C@H]1CCCc2ccccc21 8077864 TZDFVFGFDHDMDS-BPOBUFBUSA-N 321.420 4.211 0 40 DIAB O=C(COc1ccc2ccccc2c1)N1CC[C@@H]2CCCC[C@@H]2C1 8161998 SVBVXWSXHIQBCG-PKOBYXMFSA-N 323.436 4.257 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)cc1C 8493761 VBLZKIZZJDXODI-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB O=C1/C(=C/c2ccccn2)c2ccccc2N1Cc1ccccc1 8653006 JTIJCYLXTMNCNM-XMHGGMMESA-N 312.372 4.169 0 40 DIAB O=c1[nH]c(CSc2ccc3ccccc3c2)nc2ccsc12 10439937 RRRKRGKPBHEPID-UHFFFAOYSA-N 324.430 4.430 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(F)cc1 11231664 PAPALOKAPVEFTI-CDVVCGDMSA-N 315.413 4.436 0 40 DIAB O=C(Cc1ccccc1)Nc1ccc(N2CCCCCC2)cc1 12543330 AUJSICMPZMVNOP-UHFFFAOYSA-N 308.425 4.248 0 40 DIAB O=C1CCC(c2ccccc2)=NN1c1ccccc1C(F)(F)F 12590746 XBJMBHFWJWXYCU-UHFFFAOYSA-N 318.298 4.237 0 40 DIAB O=C(Oc1ccc(Cl)cc1)c1cc(-c2cccs2)on1 15669787 JHPSTQJGWJPMNW-UHFFFAOYSA-N 305.742 4.276 0 40 DIAB COc1ccccc1-c1nc(CN2CCc3ccccc32)cs1 16480214 HUITZEFVQUZREB-UHFFFAOYSA-N 322.433 4.381 0 40 DIAB CCCc1ncc(CN[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cn1 19525785 PAPSKKLIZVECSO-VURPSTOHSA-N 321.468 4.101 0 40 DIAB Cc1cc(CN2CCc3sccc3[C@@H]2c2cccs2)no1 24977154 RQJJBFNNBMBMET-MRXNPFEDSA-N 316.451 4.254 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(OC)c1 30850174 QJNOAIJZWKLQTC-OAHLLOKOSA-N 319.788 4.145 0 40 DIAB COc1ccccc1-c1csc(Cc2csc(C)n2)n1 32825889 LLGMWKRRGIXFBL-UHFFFAOYSA-N 302.424 4.174 0 40 DIAB O=C1c2ccccc2C(=O)N1CSc1cccc2ccccc12 33875190 DFEFNMHRPSSRCI-UHFFFAOYSA-N 319.385 4.186 0 40 DIAB CCOC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2)o1 40175883 NCKHZKCJGXHLNL-UHFFFAOYSA-N 313.275 4.087 0 40 DIAB O=C(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1 41127501 CKSVBRYFTVPQSY-UHFFFAOYSA-N 308.406 4.199 0 40 DIAB Cc1ccc(-n2ccnc2SCc2c(C)noc2C)c(C)c1 42142245 VZYBEGSYMPTDIF-UHFFFAOYSA-N 313.426 4.386 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)n[nH]2)cc1 51315389 XMGYIEQLYCQEDZ-UHFFFAOYSA-N 321.380 4.036 0 40 DIAB CNc1nc2c(s1)[C@H](c1ccccc1OC(C)C)CC(O)=N2 61717577 PXGGROQAGCMABZ-NSHDSACASA-N 317.414 4.096 0 40 DIAB C[S@](=O)c1ccc(CNc2ccc(-c3ccccc3)cn2)cc1 97147941 DTJOMLOSCLHKTH-HSZRJFAPSA-N 322.433 4.098 0 40 DIAB CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2 100042145 GIJXKZJWITVLHI-RTBURBONSA-N 307.437 4.418 0 40 DIAB world Cc1ccc(OCC(=O)NCc2cccc3ccccc23)c(C)c1 222891677 BWINOWWPFBVMGA-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CCc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Cl 226318080 AACSACIXWCGGCJ-UHFFFAOYSA-N 309.196 4.390 0 40 DIAB Clc1ccc(Cc2noc(C(Cl)(Cl)Cl)n2)cc1 228943906 QNTDEQQXZMQTGT-UHFFFAOYSA-N 311.983 4.141 0 40 DIAB COc1ccc(-c2cc(C(=O)O)cc3cc(OC)ccc23)cc1 256027839 FPCZKAPTXDFZHY-UHFFFAOYSA-N 308.333 4.222 0 40 DIAB COc1ccc(Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 408881900 OZKIFWYNJSYAFH-UHFFFAOYSA-N 324.405 4.475 0 40 DIAB CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@H](C(C)(C)C)C2 129637 VGSHFACDAVDNNW-NSHDSACASA-N 323.458 4.034 0 40 DIAB O=C(C[C@@H](Cc1ccccc1)c1ccco1)Nc1nccs1 510144 XCBKVSRNHRCRML-CQSZACIVSA-N 312.394 4.091 0 40 DIAB Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c2c1 920316 FXYHQLKBLFSUQI-SCLBCKFNSA-N 310.441 4.469 0 40 DIAB Clc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 1332189 ANGJLDWAVZOCAK-UHFFFAOYSA-N 313.813 4.484 0 40 DIAB Cc1cc2oc(-c3ccccc3C(=O)O)cc(=O)c2cc1Cl 1993280 GVXYBGSYNGEFQF-UHFFFAOYSA-N 314.724 4.120 0 40 DIAB Cc1ccccc1Cc1nnc2sc(C3CCCCC3)nn12 2183296 UBDIRRYEABZWNT-UHFFFAOYSA-N 312.442 4.133 0 40 DIAB CC(C)C(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1 2888788 ZHIUMUODGLMFRI-UHFFFAOYSA-N 308.333 4.021 0 40 DIAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(F)c1 3133761 RIPSBEOKPOGMLP-UHFFFAOYSA-N 309.793 4.001 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1 3438522 HFZXKRVFJQSEJD-UHFFFAOYSA-N 301.389 4.213 0 40 DIAB aggregator CCCCc1ccc(NC(=S)NCCCOC(C)C)cc1 3765095 XXLBXSYOKYIVLC-UHFFFAOYSA-N 308.491 4.131 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(F)c(F)c2)c1C 5565102 DRYXRWUQQAYVJU-UHFFFAOYSA-N 323.364 4.087 0 40 DIAB Cc1cc(O[C@H](C)C(=O)NCCC2=CCCCC2)ccc1Cl 5779219 CXMKXTQWKZXWRD-CQSZACIVSA-N 321.848 4.422 0 40 DIAB Clc1ccc(-c2n[nH]c(SCc3ccccc3)n2)cc1 5999271 RQHGMLJXTNNOQC-UHFFFAOYSA-N 301.802 4.417 0 40 DIAB O=C(CCc1ccccc1)Nc1nc(-c2cccs2)cs1 6216964 YCPUBMJOAYWXAU-UHFFFAOYSA-N 314.435 4.443 0 40 DIAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 6343235 GYELZKJNCMFXHN-NSHDSACASA-N 324.207 4.250 0 40 DIAB CC(C)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 6372390 YRGCMVVUIMHDIO-UHFFFAOYSA-N 322.408 4.189 0 40 DIAB O=C(c1cc(Cl)nc2ccccc12)N1CCCc2ccccc21 6647644 LOAHSUDQUHKBBJ-UHFFFAOYSA-N 322.795 4.481 0 40 DIAB O=C(COc1ccccc1)Nc1ccccc1SC(F)F 7793246 GYBRSHKJAALUAD-UHFFFAOYSA-N 309.337 4.019 0 40 DIAB CN(C(=O)CCSc1ccc(Cl)cc1)c1ccccc1 8204464 XYJBKISVWXMCTD-UHFFFAOYSA-N 305.830 4.485 0 40 DIAB Cc1c(C=O)c(C=O)c(C)n1-c1ccc(SC(F)F)cc1 12139432 XFHFKCBQWPWPLU-UHFFFAOYSA-N 309.337 4.034 0 40 DIAB CC(C)(O)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1 14442183 BYQLYGRDILHOFF-GIYDNNGJSA-N 318.457 4.321 0 40 DIAB biogenic Cc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(C)o1 15768876 JHMITTAHHZOWCY-SNVBAGLBSA-N 311.303 4.406 0 40 DIAB CSc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 16176079 HKWCJTNDQSYCDM-UHFFFAOYSA-N 308.406 4.452 0 40 DIAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccccc1 20482217 RUJVJCHBMXGRJJ-QGZVFWFLSA-N 317.816 4.295 0 40 DIAB Cc1c(C(=O)N2CCOc3ccccc32)sc2ccccc12 24585951 BCOJFIVAEZGFKS-UHFFFAOYSA-N 309.390 4.249 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1sccc1-n1cccc1 25153585 XYQGCPYOFFCMBP-UHFFFAOYSA-N 308.406 4.280 0 40 DIAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 26687870 BLGMMNWHVANZSA-UHFFFAOYSA-N 320.179 4.267 0 40 DIAB CCCc1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 31214739 PFXXQLHMQACHMW-UHFFFAOYSA-N 305.381 4.077 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CCNCc1cccc(F)c1 36657753 JEDDUNCGBFIVRX-UHFFFAOYSA-N 300.352 4.087 0 40 DIAB CN(C(=O)Nc1nccs1)C1CCC(c2ccccc2)CC1 52460533 ASGCTGHTOOGTSO-UHFFFAOYSA-N 315.442 4.333 0 40 DIAB CCCCCNC(=O)CSCc1c(F)cccc1Cl 60512616 JNVFDXOMEVJSSK-UHFFFAOYSA-N 303.830 4.019 0 40 DIAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(N)c1 70462890 KHIWPOJRVQKWCC-UHFFFAOYSA-N 318.804 4.027 0 40 DIAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)c1ccc(F)cc1 72265344 NJESNUVNCYNLHX-UHFFFAOYSA-N 324.399 4.205 0 40 DIAB Cc1cc(N)nc(S[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 78480858 DXDNAAXFCBVWQO-VIFPVBQESA-N 313.348 4.239 0 40 DIAB c1ccc2c3c(ccc2c1)[C@H](NCc1ccncc1)CCCO3 84055901 YLOXFCYXNLHWGI-LJQANCHMSA-N 304.393 4.238 0 40 DIAB FC(F)(F)c1cccc(N2CCN(CC3CCCC3)CC2)c1 89779511 NYJLNQXNJQLKBU-UHFFFAOYSA-N 312.379 4.018 0 40 DIAB C[S@](=O)Cc1cccc(NCc2csc3ccccc23)c1 95429165 RPVMJPPEWZKACW-OAQYLSRUSA-N 315.463 4.392 0 40 DIAB Fc1ccc(COc2ccc(Br)cc2F)c(F)c1 95915339 LKRGJDGBCBFIHK-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB O=c1c(-c2ccccc2)c[nH]c2c(-c3ccc(Cl)cc3)cnn12 100240782 INLJMVFKSONDAY-UHFFFAOYSA-N 321.767 4.010 0 40 DIAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 100297154 PUADRQDIQCVJJS-FPZYKGQZSA-N 301.474 4.144 0 40 DIAB COc1ccc(CSCC(=O)Nc2cc(C)ccc2C)cc1 113935216 GYCJZHIKCMJYKH-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB CC(=O)c1ccccc1NCc1ncc(-c2cccc(F)c2)o1 177181521 JWNBGOZFHHXTQU-UHFFFAOYSA-N 310.328 4.295 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1[C@@H](C)CCC[C@H]1C 216865222 VOGHPBRWGLUIHB-OKILXGFUSA-N 317.477 4.329 0 40 DIAB COc1ccc(Cl)cc1C(=O)N(C)c1ccc(C)c(C)c1 222953657 UENJJUYJDAGCKJ-UHFFFAOYSA-N 303.789 4.242 0 40 DIAB Cc1ccc(C(=O)NCCSCc2ccccc2)c(Cl)c1 224995049 YVTJWCSMPJQRQH-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB C[C@H](NC(=S)Nc1ccc2sncc2c1)c1ccccc1 225172425 OOCGQXMOIKSMIY-NSHDSACASA-N 313.451 4.344 0 40 DIAB CCN(C(=O)c1ccc(-c2ccccc2N)o1)c1ccccc1 226303855 WLCXGBLTBOTLIL-UHFFFAOYSA-N 306.365 4.196 0 40 DIAB O=C(/C=C/c1ccco1)N[C@@H](c1ccsc1)c1cccs1 390827495 YRIFUPIMJXVLAU-JFDDCEBESA-N 315.419 4.322 0 40 DIAB COc1cc2c(cc1NC(=O)c1ccc(Cl)cc1)CCCC2 408921202 APLXUSQHBWLYKV-UHFFFAOYSA-N 315.800 4.480 0 40 DIAB O=C1S/C(=C/c2ccoc2)C(=O)N1c1cccc(Cl)c1 409216601 MRPXWSUEMGCIKX-WUXMJOGZSA-N 305.742 4.174 0 40 DIAB CC(F)(F)OCCCC(F)(F)C(F)(F)Br 1083806989 LZLVFMVULPEGEP-UHFFFAOYSA-N 303.040 4.019 0 40 DIAB CC1(C)CC[C@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@@]2(C)O1 1615130018 GBKPEZJQSXMPQJ-KBXCAEBGSA-N 321.848 4.150 0 40 DIAB O=C(Nc1ccc(Cc2ccncc2)cc1)NC1CCCCC1 106697 NHEBYPNFVHURKU-UHFFFAOYSA-N 309.413 4.127 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 124525 IMGXSSDNQQGDJW-UHFFFAOYSA-N 306.715 4.146 0 40 DIAB CC(C)(C)c1ccc(C(=O)NCCn2ccc3ccccc32)cc1 427853 ZEUIPTJVKYTKAR-UHFFFAOYSA-N 320.436 4.369 0 40 DIAB CCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 514091 WIQMNZWDTIBELB-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB Brc1ccc(C2=NO[C@@H](c3cccs3)C2)cc1 536761 JNCUVQHTTIPFIQ-GFCCVEGCSA-N 308.200 4.376 0 40 DIAB CC(C)Oc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 568900 HPSGSHNWCPXOEK-UHFFFAOYSA-N 313.441 4.028 0 40 DIAB CCCCCc1nc2ccccc2c(=O)n1-c1cccc(C)c1 1832476 RUVDXJBZRBFHDM-UHFFFAOYSA-N 306.409 4.427 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2ccc(C)c(C)c2)c1 2517638 QHHIQJGNDWNAHG-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 6010726 VZYJEWGVMYDXKG-CQSZACIVSA-N 321.376 4.254 0 40 DIAB CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 6638267 CFLDDFPXAMUQSR-MDWZMJQESA-N 319.769 4.266 0 40 DIAB CCCN(Cc1ccccc1)C(=O)c1nc2ccccc2s1 6654644 INBNWTNPZAHLLX-UHFFFAOYSA-N 310.422 4.349 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 6837335 WTDAFOCUSFFBTN-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 7636262 CVFGSGLQJLQTLM-OAHLLOKOSA-N 321.159 4.478 0 40 DIAB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)c(C)o1 7782463 HHJFYVFSVLVYCY-UHFFFAOYSA-N 309.365 4.332 0 40 DIAB CCc1cccc(C)c1NC(=O)CNc1ccc(F)c(Cl)c1 7972630 NMZBOPFISQGIMV-UHFFFAOYSA-N 320.795 4.401 0 40 DIAB CCC(CC)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8863048 CXDLVMLZUMTAHT-QGZVFWFLSA-N 322.518 4.218 0 40 DIAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)on1 9687951 OZOACAYTCWRDCU-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB Cc1cccc(CNC(=O)CSCc2ccc(Cl)cc2)c1 13667644 UZZVZTNVVRVURS-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 19934735 FNSCMAIZZDNPIV-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NCc2cccc3cccnc23)c1 28925016 ZMBGAKBVHKCAHL-AWEZNQCLSA-N 319.408 4.044 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(SC)c1 30869321 SFTSUWJVNQCWRR-MRXNPFEDSA-N 319.401 4.344 0 40 DIAB Cc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)o1 33341821 CFMHIEKHWOAKSN-JYRVWZFOSA-N 318.785 4.324 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)c1cc2cc(F)ccc2[nH]1 40061858 DXQMGIGQGLKBEH-UHFFFAOYSA-N 306.699 4.352 0 40 DIAB Cc1csc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1 40159258 ARCNCUVPMZLZLP-UHFFFAOYSA-N 306.456 4.180 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1c2ccccc2C[C@@H]1C 44949004 FQDGYSHMKCYAMT-OXJNMPFZSA-N 323.436 4.439 0 40 DIAB Cc1ccc([C@H]2CCCN2C(=O)CCc2ccccc2O)cc1C 58141019 MJWZDDGCCOKWTM-LJQANCHMSA-N 323.436 4.305 0 40 DIAB Nc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 70458765 WDUGFMKGYMLXMP-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB COc1cc(C(=O)NC2CCCCCCC2)nc2ccccc12 72329555 QQUREWWKFVHQCA-UHFFFAOYSA-N 312.413 4.086 0 40 DIAB CCc1nc([C@H](C)N[C@@H](C)c2ccc(OC)cc2OC)cs1 95422320 ORWYBKLXTRXAJS-RYUDHWBXSA-N 320.458 4.135 0 40 DIAB COCc1ccccc1NCc1ccc(OC)c(SC)c1 95428679 ICQRYTRJBWWGEA-UHFFFAOYSA-N 303.427 4.176 0 40 DIAB Cc1ccc(C(C)(C)C)cc1SCCCN1CCN(C)CC1 96003418 PCMPCYYYQFLUMH-UHFFFAOYSA-N 320.546 4.022 0 40 DIAB O=C1C[C@H](c2cccc(Br)c2)Nc2ccccc21 97758154 XSVUZINBUSMMNJ-CQSZACIVSA-N 302.171 4.189 0 40 DIAB O=C(Nc1ccccc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 101110527 MMOSXTJWJAFEOQ-PFNKYVCDSA-N 324.251 4.481 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2OC)cc1 113968953 QEACAEDPFXMOFP-QGZVFWFLSA-N 313.397 4.054 0 40 DIAB Cc1ccc(CC(=O)Nc2ccccc2Br)c(C)c1 224668658 XKBBMUPAPGVTCV-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccoc1 225626508 ACGPSJNQVVFEGB-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225638071 HUWNVJMYRBLBPV-YJYMSZOUSA-N 319.445 4.236 0 40 DIAB COc1ccccc1[N+]([O-])=Nc1ccc(Br)cc1 253618180 DENQYIUDRMXRSE-UHFFFAOYSA-N 307.147 4.383 0 40 DIAB CC(C)C[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)C(C)C 257319701 VTRCTFHDZYZJMG-RSCNAKIRSA-N 321.505 4.015 0 40 DIAB Fc1cccc(F)c1CSc1nnc(-c2ccccn2)s1 565748454 PAYYYFMJJRPXPU-UHFFFAOYSA-N 321.377 4.171 0 40 DIAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)cs1 273821 GDFNPWUPKKJPJB-UHFFFAOYSA-N 321.357 4.289 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 384519 JJBYELQFFNALRS-UHFFFAOYSA-N 316.813 4.151 0 40 DIAB COc1ccc(CC[C@@]2(C)OCC(C)(C)[C@@H](C(C)C)O2)cc1 1670844 VJGJMVLTLIGRGF-MJGOQNOKSA-N 306.446 4.442 0 40 DIAB CCCCC[C@H]1C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O 2375180 OTOSIXWPCRAVKE-STQMWFEESA-N 318.442 4.167 0 40 DIAB CCc1ccc2c(CC(=O)N[C@H](C)c3ccccc3)coc2c1 3330415 RKKJBXQTBOTAAP-CQSZACIVSA-N 307.393 4.415 0 40 DIAB Cc1cc(C)cc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 3378316 HFHGBDHIEYXSOJ-UHFFFAOYSA-N 308.786 4.058 0 40 DIAB CC(=O)OC[C@@]12CO[C@@H](c3ccccc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 4026573 VCHXOWGOUYSRMD-PYIJOLGTSA-N 314.425 4.156 0 40 DIAB Cc1cccc(CSC2=NCCN2C(=O)c2cccc(C)c2)c1 4120178 BGEQVPRWILUTJT-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB O[C@]1(c2ccccc2)Oc2ccccc2N=C1c1ccccc1 4344093 IEMSNWKDTDMZQQ-HXUWFJFHSA-N 301.345 4.045 0 40 DIAB COCc1c(C(=O)Oc2ccc(C(C)=O)cc2)oc2ccccc12 5576006 FCTQWLZBPYDDFP-UHFFFAOYSA-N 324.332 4.001 0 40 DIAB Cc1cc(C(=O)CCC(=O)N[C@H](C)c2ccccc2)c(C)s1 6401580 ONHNYJHANJKQGS-CYBMUJFWSA-N 315.438 4.205 0 40 DIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(F)cc2)c1 7208884 UNYLAOKMOJIKAU-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1 8480434 CEEVPLGYBGROKL-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc2ccccc12 8723140 ROBVGTFLYPJSOU-CQSZACIVSA-N 321.376 4.254 0 40 DIAB CCc1ccc(C2=NN=C(Nc3ccccc3)SC2)s1 11116930 VTHSLVCIQMCVHB-UHFFFAOYSA-N 301.440 4.230 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc(F)c1 12986169 VMANAWJZRAEZCT-CQSZACIVSA-N 321.804 4.446 0 40 DIAB Cc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1C 12999408 BOHXKWICLZZVTK-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB CC(C)(C)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 13007020 UGFACSPPQOWDEB-UHFFFAOYSA-N 321.376 4.343 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 13169981 UTVZSEVNBFMJIF-YRNVUSSQSA-N 323.392 4.469 0 40 DIAB CC(C)[C@@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 17357427 YKJYVZAMVLPTPW-GOSISDBHSA-N 315.844 4.439 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(F)cccc1F 20112516 ZVKRRAFNGJBDGY-OAHLLOKOSA-N 305.324 4.069 0 40 DIAB CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1 21441163 QQNWLXGYMPKICL-UHFFFAOYSA-N 324.355 4.076 0 40 DIAB O=C(CSCc1ccccc1F)NCc1ccccc1Cl 24064836 ATKFFCLRUSOVNK-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB Cc1noc(C)c1CN(C(=O)c1cccs1)c1ccccc1 25884263 ITXJFGKQWGSFSJ-UHFFFAOYSA-N 312.394 4.200 0 40 DIAB CC(C)(C)CC(=O)Nc1ccn(Cc2cccc3ccccc23)n1 32610514 KVPZVTAHKQXPDN-UHFFFAOYSA-N 321.424 4.459 0 40 DIAB Cc1csc(NC(=O)CSc2cccc3ccccc23)n1 32692793 ONGGGNIDSSLBLD-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N1CCSc2ccccc21 32997889 MUNTVVKSBOTKTD-UHFFFAOYSA-N 322.433 4.239 0 40 DIAB Cc1n[nH]c2c1[C@@H](c1cccc3ccccc13)SCC(O)=N2 44889671 HIBXXDKCSLSOAX-MRXNPFEDSA-N 309.394 4.296 0 40 DIAB O=C(Nc1cc(F)ccc1F)Nc1cc(Cl)ccc1F 51354454 BYGIVUVTADKPOA-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 59351685 PBUBEUHQRJUSHZ-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB COc1cc(/C=C/C(=O)OC(C)C)ccc1OCCC(C)C 62714854 XXLCNOYDCAMDQF-VQHVLOKHSA-N 306.402 4.085 0 40 DIAB Cc1ccc(CNc2nc(-c3ccccn3)nc(C)c2C)s1 68667195 YWOKFQQEVNDPOQ-UHFFFAOYSA-N 310.426 4.137 0 40 DIAB Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)c1ccccc1 72222313 XITCQCZZTWDLSJ-IBGZPJMESA-N 303.409 4.206 0 40 DIAB CC(C)(C)c1ccc(NC(=O)c2ccccc2C(F)(F)F)nn1 72287822 BVSFQXKSNFCLMO-UHFFFAOYSA-N 323.318 4.045 0 40 DIAB Cc1ccc2nc(-c3ccc(N)cc3Br)oc2c1 73639321 SNHOAWRLNVYQLG-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB Cc1ccc(/C=C/C(=O)O[C@H](C)c2nc3ccccc3s2)cn1 96013714 GAAMMSXYNRGXCY-WTNCMQEWSA-N 324.405 4.317 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H]1CCc1ccnc(Cl)c1 143110527 CLCDRHPRXCCFJK-ZDUSSCGKSA-N 310.825 4.067 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 224185448 GSKLUOUDUFRJPM-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OC3CSC3)cc2)c(C)c1 225057082 PJFZCAXFNUMXBE-UHFFFAOYSA-N 313.422 4.050 0 40 DIAB CC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225271267 RPQPNRJGQBHMGB-SSDOTTSWSA-N 310.772 4.444 0 40 DIAB CCc1cc(N)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 226318086 AABKARCTZCXTFU-UHFFFAOYSA-N 309.196 4.390 0 40 DIAB CSc1ccc(CNCc2sccc2Br)o1 585118093 BFCKVMZFQZFGAO-UHFFFAOYSA-N 318.261 4.115 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 364827 PQTSTSUAQFKNGZ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1cc(CNc2ccc(C(C)C)cc2)cc(OC)c1OC 1632291 GHWDIOCKFYFDCD-UHFFFAOYSA-N 315.413 4.448 0 40 DIAB CCCN(CCC)C(=O)[C@@H](c1ccccc1)C1(O)CCCCC1 2043276 RUJFVZMPCRTEST-GOSISDBHSA-N 317.473 4.114 0 40 DIAB CC(C)N(C(=O)N1CCC(c2ccc(F)cc2)CC1)C(C)C 5000965 IAQRFDOMTNUPON-UHFFFAOYSA-N 306.425 4.244 0 40 DIAB Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3ccsc3)nc12 7136661 ZVJDKOILTSQCFH-GHXNOFRVSA-N 302.786 4.030 0 40 DIAB CC[C@@H](C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12920580 GPBRNUHWDZRBPM-VKFLQFAXSA-N 319.448 4.446 0 40 DIAB COc1ccccc1NC(=S)Nc1cccc(SC)c1 14581336 JLRSRPACYRMKDA-UHFFFAOYSA-N 304.440 4.226 0 40 DIAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1 15831748 PTYRNLIWYPNLPP-UHFFFAOYSA-N 311.406 4.492 0 40 DIAB COc1ccc(/C(Cl)=C\c2cc(OC)ccc2OC)cc1 17220764 LNPPLMDIUJGMKI-LFIBNONCSA-N 304.773 4.449 0 40 DIAB Fc1ccc(CSc2nnc(NC3CC3)s2)c(Cl)c1 22173675 WDSGWDXIIVWZFQ-UHFFFAOYSA-N 315.826 4.197 0 40 DIAB O=C(NC1CC1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 27977076 ZDDDIQLZVKIVMM-UHFFFAOYSA-N 322.795 4.447 0 40 DIAB Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 32930543 LRTVMHRJCMEXEF-UHFFFAOYSA-N 318.376 4.112 0 40 DIAB O=C(c1ccc2ncsc2c1)N1CCCc2ccc(F)cc21 32935098 GPVOGFIJASRAKQ-UHFFFAOYSA-N 312.369 4.028 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccsc2)C1 36356976 KXZXLSRPBOOWES-LLVKDONJSA-N 319.455 4.319 0 40 DIAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@@H](c2cccnc2)C1 36359718 OVSARKRYOJHGHV-GFCCVEGCSA-N 324.771 4.044 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)Cc2ccccc2Cl)cc1 36623111 BICBRPOHCRNZDY-CYBMUJFWSA-N 301.817 4.322 0 40 DIAB CC[C@@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 36752659 NLGGYOWEYQKNGW-GGEQCSGTSA-N 301.474 4.454 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478266 ADQPAHAGHQRGAS-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB COc1cc(-c2cc(=O)c3cc(Cl)cc(C)c3o2)ccc1O 41181952 VSSBVVMPFCZCEQ-UHFFFAOYSA-N 316.740 4.136 0 40 DIAB CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 44137745 WAFRBZMKFUODDC-UHFFFAOYSA-N 300.402 4.282 0 40 DIAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1F 44676313 CGTQFHGLFHXNRT-UHFFFAOYSA-N 313.254 4.192 0 40 DIAB C[C@@H](NCc1csc(-c2cccs2)n1)c1ccncc1 57570484 SGJJKDCGIJWYLL-LLVKDONJSA-N 301.440 4.117 0 40 DIAB Cc1cc(C)cc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 59431875 VPDQEXAQSNESAU-UHFFFAOYSA-N 301.345 4.257 0 40 DIAB CC(C)(C)c1noc(C2(c3cccc(Cl)c3)CCOCC2)n1 71890036 UXUTYPZGBYSPSP-UHFFFAOYSA-N 320.820 4.117 0 40 DIAB CC(C)CNc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72213251 TXZQTBWPZRHKTM-HNNXBMFYSA-N 319.449 4.222 0 40 DIAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72213406 HUTITWSVNHJLQT-MAUKXSAKSA-N 323.440 4.269 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 75437305 ZCOLVMLHJMJDST-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB COC1CCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89409606 HWAHEDPDXKSVQA-OAHLLOKOSA-N 300.229 4.092 0 40 DIAB C[C@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 97232231 BDSKOPPRTWYZLV-LBPRGKRZSA-N 300.383 4.488 0 40 DIAB O=C1O/C(=C\Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 100409175 HWZVAGRGLOKRIB-ZROIWOOFSA-N 321.254 4.166 0 40 DIAB COc1ccc(Cl)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839075 FXLZXEWJCHSQRC-UHFFFAOYSA-N 318.756 4.079 0 40 DIAB C[C@H](O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118931414 UZBALNKEQDFPSB-RCQUDUOQSA-N 320.517 4.387 0 40 DIAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1Cl 223314247 KMWJDPVEVMDYII-UHFFFAOYSA-N 324.207 4.322 0 40 DIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(F)c1 223581869 DQQHXQYCCDBEPA-ZDUSSCGKSA-N 313.372 4.111 0 40 DIAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COC(C)C 224424276 ZKLXFOVITQITJD-UHFFFAOYSA-N 317.360 4.012 0 40 DIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)cc1 225733236 XTQGLOLKCHDNJH-SFHVURJKSA-N 307.434 4.255 0 40 DIAB C[C@@H](NC(=O)c1ccc2sc(Cl)nc2c1)c1ccccc1 225977342 NREBBHGMLLNMMC-SNVBAGLBSA-N 316.813 4.441 0 40 DIAB CC(C)C(=O)N1N=C(c2ccsc2)C[C@H]1c1cccs1 226818118 IUIBUEIJFLQKQZ-ZDUSSCGKSA-N 304.440 4.143 0 40 DIAB CN1[C@H](c2ccccc2)[C@H]2CCC[C@@H]([C@H]2O)[C@@H]1c1ccccc1 245380936 VOVYUVZGDORCCG-XKRYSZRTSA-N 307.437 4.192 0 40 DIAB O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 254286819 ASUIJTQOWIPBJV-CLAROIROSA-N 321.464 4.206 0 40 DIAB C[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257228292 FTIBCQYCJIEIJH-OAHLLOKOSA-N 309.409 4.426 0 40 DIAB O=C(NC(=S)c1ccccc1)Nc1ccc2ccccc2c1 408732862 UFQWZGCJPIPKRU-UHFFFAOYSA-N 306.390 4.337 0 40 DIAB FC(F)(F)C1CCN(c2nc3cc(Cl)ccc3o2)CC1 1889118410 CRUYNPNEDYIBAA-UHFFFAOYSA-N 304.699 4.260 0 40 DIAB Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)o1 66295 CUTIAYMPUDKJLL-UHFFFAOYSA-N 310.737 4.414 0 40 DIAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222300 VUGCORCDDCWGHS-IRXDYDNUSA-N 324.815 4.386 0 40 DIAB Cc1ccc(-n2cnc3scc(-c4cccs4)c3c2=O)cc1 349516 YKZXNESZOSSVFG-UHFFFAOYSA-N 324.430 4.484 0 40 DIAB aggregator Cc1cc2nc(C)c(Cc3cccc(C(F)(F)F)c3)c(C)n2n1 1394726 XVMCNYIVGDNEIH-UHFFFAOYSA-N 319.330 4.264 0 40 DIAB Cc1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 3555830 IONUUZHXFKQYHC-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB CC[C@@H](C(=O)NCc1ccc2c(c1)cc(C)n2C)c1ccccc1 4061568 PDXJGNMXYQMLKI-LJQANCHMSA-N 320.436 4.297 0 40 DIAB CCCCC(=O)Nc1nc2ccc3sc(C)nc3c2s1 4173984 RVOAKXBUTGRMRI-UHFFFAOYSA-N 305.428 4.343 0 40 DIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC4CCCC4)n3)cc21 4993896 IXJSLACGEROMPG-JTQLQIEISA-N 313.426 4.220 0 40 DIAB O=C(NCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 6322021 WIYABIQOBOAOSJ-UHFFFAOYSA-N 312.171 4.105 0 40 DIAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1C(F)(F)F 7037084 RHHOGQFYMJJIRN-UHFFFAOYSA-N 323.358 4.260 0 40 DIAB O=C(CSC/C=C/c1ccccc1)Nc1ccc(F)c(F)c1 7150418 CTWVUNFSWZVWBQ-QPJJXVBHSA-N 319.376 4.350 0 40 DIAB C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 7794318 NSKOHECBBZMTND-GFCCVEGCSA-N 322.235 4.456 0 40 DIAB COc1ccccc1-c1nc(CN(C)c2ccccc2)cs1 9513297 WKZCUOKAPOQDIU-UHFFFAOYSA-N 310.422 4.455 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCCc2ccccc21 9683219 YFQIIIMHXXWRNS-UHFFFAOYSA-N 302.377 4.070 0 40 DIAB Cc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1 10447456 LSSYOSRFTGHUGQ-UHFFFAOYSA-N 305.830 4.057 0 40 DIAB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 11914652 DTEXTRDCXPHURX-UHFFFAOYSA-N 320.392 4.156 0 40 DIAB O=C(NCCCc1ccccc1Cl)c1ccccc1Cl 13668470 ZQIWLSGTRYSMOH-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB Clc1ccc(OC[C@@H]2CCCNC2)c(Cc2ccccc2)c1 14631352 IVFKBLIVRXZTLF-MRXNPFEDSA-N 315.844 4.309 0 40 DIAB CC(=O)c1sc(NC(=O)CCC(C)C)nc1-c1ccccc1 14657787 YRTXSUXEVKXCJW-UHFFFAOYSA-N 316.426 4.387 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)cc1 15575989 ZOABESMFLXDZTK-PCLFDXGNSA-N 321.420 4.381 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 15593081 KREZXUQVBMTBTB-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3F)no2)cc1C 15669811 JJMMRKCMJRVUEK-UHFFFAOYSA-N 311.312 4.317 0 40 DIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)cc1)NCC2 20506956 KWPVIMZLABIUNQ-FQEVSTJZSA-N 311.425 4.028 0 40 DIAB C[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 21912622 YDZUQOLJRBIJPH-CQSZACIVSA-N 310.372 4.048 0 40 DIAB O=C(NCc1ccccc1F)C1(c2cccc(Cl)c2)CCC1 25381700 MIQGXTNJMRXUSN-UHFFFAOYSA-N 317.791 4.217 0 40 DIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ncc(C)s3)s2)o1 31228200 HEYOPQSWDZZXOM-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB CC(C)N(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 31628051 NZGPVVILHDQKBZ-SFHVURJKSA-N 303.833 4.284 0 40 DIAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccco1 32739485 UJTINWLRHNVFPU-GFCCVEGCSA-N 306.365 4.196 0 40 DIAB CCCc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)[nH]n1 32754787 IVHRZRMVFKPANC-UHFFFAOYSA-N 320.396 4.358 0 40 DIAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)cc1 32902224 LNDKZSBNJYCBPL-UHFFFAOYSA-N 317.388 4.298 0 40 DIAB CNc1nc2c(s1)[C@@H](c1ccc(C(C)C)cc1)CC(O)=N2 61717497 HEPTXAXQPNQWKM-GFCCVEGCSA-N 301.415 4.432 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cc3ccccc3[nH]2)o1 65522113 DLUZKVUOZYMCDQ-CEIRLDKZSA-N 320.392 4.214 0 40 DIAB Cc1ccccc1CN(Cc1ccccc1C)C[C@@H]1CCCCN1 72203913 UQNFHPFTLKATHV-QFIPXVFZSA-N 322.496 4.448 0 40 DIAB Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(Br)c1 73639339 SVYDLNLZZGWRER-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1CC=CC1 89644346 JKCPMYDZNSVJFP-UHFFFAOYSA-N 316.401 4.247 0 40 DIAB Cc1[nH]c(-c2cnn(-c3ccccc3)c2)nc1-c1ccccc1 95468279 CAOZOYKBDBQVBJ-UHFFFAOYSA-N 300.365 4.238 0 40 DIAB CC(C)n1ccc(=O)nc1S[C@H](C)c1ccccc1Cl 95948588 CZMHAZJVQJGXJP-LLVKDONJSA-N 308.834 4.331 0 40 DIAB Cc1cc(C)cc(OCC(=O)n2c(C)c(C=O)c3ccccc32)c1 218739293 RXUCUPQOXFJRRV-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(OC)cc1 224156854 DIPOILYUUOYIDQ-CRAIPNDOSA-N 321.461 4.185 0 40 DIAB Cc1cc(C)cc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225036804 IABQKUOSSRWPAG-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 225632472 RLFMTOMQCPUVGD-INIZCTEOSA-N 323.436 4.071 0 40 DIAB Nc1cccc(-c2cnc(-c3ccc(Br)cc3)o2)c1 226102877 NHDSVZIPRWFRFR-UHFFFAOYSA-N 315.170 4.353 0 40 DIAB CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1OC 178268 HXISYRFATBBODQ-UHFFFAOYSA-N 309.365 4.125 0 40 DIAB biogenic CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cn2)C1(C)C 291943 AXIVSTHBJFCRNV-YPMHNXCESA-N 323.234 4.021 0 40 DIAB COc1ccccc1Nc1ncnc2sc3c(c12)CCCC3 553634 WUAWSMBMILRPJC-UHFFFAOYSA-N 311.410 4.322 0 40 DIAB Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccco2)cc1 573058 QINPUUZLAYBFHX-UHFFFAOYSA-N 316.360 4.013 0 40 DIAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O 2650739 BTKJERIPZCSYFB-UHFFFAOYSA-N 311.768 4.491 0 40 DIAB Clc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 3069520 ISKGKMVCOYALTM-UHFFFAOYSA-N 301.802 4.286 0 40 DIAB in-vitro C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Br)s1 3166554 ZBXBOGDVBUZUTO-SECBINFHSA-N 322.227 4.102 0 40 DIAB Cc1ccc(SCC(=O)NCc2ccccc2Cl)c(C)c1 3605620 OQALHDRZJREVJO-UHFFFAOYSA-N 319.857 4.365 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 4073943 QGKQXZFZOIQFBI-CGPUTVHZSA-N 306.490 4.141 0 40 DIAB biogenic C[C@H](S[C@H](CC(=O)c1ccccc1)c1ccccc1)C(=O)O 4321787 FTUNWZNRNFJXGG-SUMWQHHRSA-N 314.406 4.207 0 40 DIAB CC(=O)N1c2ccc(Cl)cc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555204 NMSSETOEIBVUBW-JLZZUVOBSA-N 317.772 4.118 0 40 DIAB COc1ccc2c(c1)SC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 4666765 RIICMZORHHQOBQ-FHIHXZLISA-N 302.439 4.280 0 40 DIAB CC(=O)c1c(O)cc2c(c1O)[C@H]1C[C@](C)(CCC1=C(C)C)O2 5440817 WJUHGQHJASTSSZ-SGTLLEGYSA-N 302.370 4.055 0 40 DIAB Cc1ccc(NC(=O)CCCOc2ccccc2)c(Cl)c1 5637168 ONJLRRYJIMHTHC-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB Cc1ccc(-n2c(C)nc3c(Cl)cc(Cl)cc3c2=O)cc1 6032955 ZVZWYENENDBGKT-UHFFFAOYSA-N 319.191 4.309 0 40 DIAB C[C@@H]1CCc2c(C(=O)N3CCc4ccccc4C3)csc2C1 6052609 XYARAKZZNUXILG-CYBMUJFWSA-N 311.450 4.071 0 40 DIAB Cc1ccccc1NC(=S)NCCc1ccc(Cl)cc1 7529854 PHOCKOIIGFGWSE-UHFFFAOYSA-N 304.846 4.178 0 40 DIAB c1ccc(Cn2cccn2)c(CNc2nc3ccccc3s2)c1 13006451 NDDILCUAGAKDOB-UHFFFAOYSA-N 320.421 4.153 0 40 DIAB Cc1cc(CSc2nnc(Nc3ccccc3F)s2)on1 14187942 HYBHGARSINZWDA-UHFFFAOYSA-N 322.390 4.010 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3cccnc3Cl)nc12 14258015 RYNLSAXVUZVSTO-UHFFFAOYSA-N 317.801 4.214 0 40 DIAB Fc1ccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)cc1 19336394 KUPUBHZZJZTZIW-KBPBESRZSA-N 316.426 4.320 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1 20035057 QOWLNOCLTFESJP-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccco1 20462093 AKVLOISZZZDVCU-CQSZACIVSA-N 309.818 4.120 0 40 DIAB COc1ccc2ccccc2c1CNCCc1ccc(F)cc1 22074678 QWJWEZWXZULWFO-UHFFFAOYSA-N 309.384 4.320 0 40 DIAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C)c(F)c2)c1 23155570 PYJLLKBWCQELOJ-UHFFFAOYSA-N 313.372 4.353 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)c1cn(C)c2ccccc12 25109448 NWVDRWDFASHLGO-AWEZNQCLSA-N 322.408 4.020 0 40 DIAB CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 27987000 SPRZMZUTUXPCLY-UHFFFAOYSA-N 311.816 4.254 0 40 DIAB Cn1cc(C(=O)N2CCC(c3ccccc3)CC2)c2ccccc21 32366506 WPIUAOFNASELET-UHFFFAOYSA-N 318.420 4.198 0 40 DIAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 40097120 JSUNECUFIGYMAO-GHMZBOCLSA-N 316.323 4.095 0 40 DIAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(N)=S 45887166 NYWDUFRULFOQKT-UHFFFAOYSA-N 317.801 4.112 0 40 DIAB Cc1ccc(OCCNC(=S)Nc2ccccc2Cl)cc1 48226751 YSQYTAMQLZYGSQ-UHFFFAOYSA-N 320.845 4.014 0 40 DIAB Cc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)c(C)c1 48292157 MUALOAUTWNKWGG-UHFFFAOYSA-N 308.425 4.020 0 40 DIAB O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CC=CCC1 48324991 IJFOFKXFABVNNA-HNNXBMFYSA-N 301.405 4.110 0 40 DIAB CN(C(=O)c1ccc(-c2cnco2)cc1)[C@@H]1CCc2ccccc21 54520549 GDTXXHYZUOXBEV-GOSISDBHSA-N 318.376 4.101 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)NCc2ccc(Cl)cc2)cc1 57999858 YJWOEFKJGYKMDQ-CYBMUJFWSA-N 316.832 4.019 0 40 DIAB O=C(CCc1nc2ccccc2s1)Nc1ccc2[nH]ccc2c1 71288772 PFORMUGJXWVEAE-UHFFFAOYSA-N 321.405 4.349 0 40 DIAB CCOc1ccccc1C(=O)c1ccc2cc(OC)ccc2c1 95917113 BHHSNSFWLSBSDT-UHFFFAOYSA-N 306.361 4.478 0 40 DIAB O=C(Nc1ccccc1)c1cc2c(cc1O)[nH]c1ccccc12 98177437 XDCTVFJNJVPBOF-UHFFFAOYSA-N 302.333 4.279 0 40 DIAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)O)cc34)co2)cc1 107132721 VZMHFIVWFSPJLP-UHFFFAOYSA-N 320.304 4.156 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1Cl 114426420 CLPNXRRXVLESHE-LBPRGKRZSA-N 303.789 4.148 0 40 DIAB NC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895267 CZXSWRIMFKIRAZ-QPJJXVBHSA-N 322.191 4.071 0 40 DIAB CCCOc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1 216958207 ZUVMRCGJLSYQEQ-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB CCCCOc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1 226273507 DSOJBVWJJIYLBM-AWEZNQCLSA-N 313.397 4.171 0 40 DIAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)OC)ccc1OC2(C)C 257268589 MMIOCIZGCPCOSB-UNEWFSDZSA-N 318.413 4.281 0 40 DIAB CCCN(Cc1cccc(C(=O)OCC)c1)C(=O)OC(C)(C)C 685937501 ZUVPQUQAANKNGQ-UHFFFAOYSA-N 321.417 4.010 0 40 DIAB Cc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1C 79466 ZSBMMNHQCUJYEZ-UHFFFAOYSA-N 304.397 4.449 0 40 DIAB Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(Cc1ccoc1)CC3 1565943 RDALYHSEPOUIRE-CEWLAPEOSA-N 323.436 4.244 0 40 DIAB CCOCCOCCOc1c(Cl)cc(Cl)cc1Cl 1597122 GRFQPQNKPVSANC-UHFFFAOYSA-N 313.608 4.079 0 40 DIAB COc1ccccc1Nc1c2c(nc3ccc(N)cc13)CCCC2 2456125 WUWOVCONCUEISL-UHFFFAOYSA-N 319.408 4.448 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 3601579 MVOPTMKNZYAAKA-UHFFFAOYSA-N 301.361 4.141 0 40 DIAB Cc1cc(C)c2sc(N3CCN(c4ccccc4)CC3)nc2c1 4061325 QJXJOKMUHJJYMY-UHFFFAOYSA-N 323.465 4.240 0 40 DIAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)NC1CCCC1 5297562 JPGCWJFWERDYAF-LLVKDONJSA-N 320.483 4.101 0 40 DIAB Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1 9145946 OSLJDAGKQZHGPG-INIZCTEOSA-N 310.378 4.094 0 40 DIAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)no1 9204187 QIRMXIBGIRAIJP-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB COc1ccc(Nc2ccc(NC(=O)c3ccco3)cc2)cc1 9322957 IBKFTOCCMBYZRS-UHFFFAOYSA-N 308.337 4.284 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cccc1C 11636972 FRXSIURNBZXLRW-QGZVFWFLSA-N 313.397 4.108 0 40 DIAB CCc1c(-c2cccc(OC)c2)n[nH]c1-c1cccc(OC)c1 12357708 QQRVVHXTHPOMMJ-UHFFFAOYSA-N 308.381 4.323 0 40 DIAB Cc1ccc(OCCCC(=O)NC2CCCCCCC2)cc1 14398580 LHIYFMSUXXJHLS-UHFFFAOYSA-N 303.446 4.383 0 40 DIAB CCc1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 14573770 PKBLINZCCLYQKE-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB C[C@H]1CN(Cc2csc(-c3ccccc3Cl)n2)C[C@H](C)O1 17056373 DSKBWPUVUPZXOI-RYUDHWBXSA-N 322.861 4.073 0 40 DIAB Cc1cc(C)c(SCC(=O)Nc2ccc(Cl)cn2)c(C)c1 18263061 NQVVLUKDHDRKQE-UHFFFAOYSA-N 320.845 4.391 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20493628 WXLBQJZFBQSIBG-CQSZACIVSA-N 313.397 4.225 0 40 DIAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccoc1 24756148 VKSHOLHUSMDIOP-UHFFFAOYSA-N 319.769 4.414 0 40 DIAB CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)c1 40449472 HAEPMXWZNSSFAB-UHFFFAOYSA-N 313.353 4.399 0 40 DIAB O=C(c1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 43210242 YDCCMTSYHSKIDL-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB CCCCNC(=S)Nc1c(C)cc(Br)cc1C 44195212 NWSABHDSVJQFGN-UHFFFAOYSA-N 315.280 4.152 0 40 DIAB Cc1ccccc1Cn1cc(-c2cnn(-c3ccccc3)c2)cn1 49581364 IXJSTNCCZRRDHJ-UHFFFAOYSA-N 314.392 4.093 0 40 DIAB CCC1(OC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)C2CC3CC(C2)CC1C3 72232656 WDKWRJUAIFFOII-LRTQGVFDSA-N 300.442 4.347 0 40 DIAB Cc1nc([C@H](C)NC(=O)N(Cc2ccccc2)C(C)C)cs1 72271612 CCYRRWUUQJPRJV-ZDUSSCGKSA-N 317.458 4.133 0 40 DIAB Cc1ccsc1[C@H](C)NCc1ccc(Cn2ccnc2)cc1 95420160 BUHOETIKGKRJSY-HNNXBMFYSA-N 311.454 4.152 0 40 DIAB C[C@]1(NCc2cnn(-c3ccccc3)c2)CCCc2ccccc21 95953325 OWWSDWWPMJJZRC-NRFANRHFSA-N 317.436 4.214 0 40 DIAB COC[C@H](C)c1nc(-c2sccc2Br)cs1 95957897 QGLIIHFVBQWTFJ-ZETCQYMHSA-N 318.261 4.384 0 40 DIAB Cc1ccc(CC(=O)NCc2ccc3ccccc3c2)cc1C 222786177 OPVWKEYYJONLQP-UHFFFAOYSA-N 303.405 4.316 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)NCCSC1CCCC1 224259031 YIUAHYGRGFQBQD-AWEZNQCLSA-N 323.527 4.100 0 40 DIAB CCc1ccccc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225040186 YAPPGSASMLCBLF-QGZVFWFLSA-N 318.800 4.286 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)cc1 225621635 CIXJWBUUCJLPFC-GOSISDBHSA-N 307.434 4.399 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 226265887 CAQKJVJWMURNPY-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB C[C@H](Oc1cccc2ccccc12)c1nc([C@@H]2CCCOC2)no1 554832482 UJBFQTULAMZFTK-DZGCQCFKSA-N 324.380 4.257 0 40 DIAB CSc1c(CC(=O)Nc2ccccc2)n(C)c2ccc(C)cc12 54939 HDTAEUIKPBTYKS-UHFFFAOYSA-N 324.449 4.390 0 40 DIAB COc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 281451 QTCAMHRBWSRJOE-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB COc1ccc2[nH]c(C)c(C(=O)CSc3ccccc3)c2c1 377413 MOTYZHIJJMORRT-UHFFFAOYSA-N 311.406 4.460 0 40 DIAB CC(C)(C)c1ccc(-c2nnc(NC(=O)C3CCC3)s2)cc1 1356154 KFRJXEXFQVSCMO-UHFFFAOYSA-N 315.442 4.241 0 40 DIAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1 1507115 OZKZVKHAJBUFNU-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB CCCSc1nc(N)c2c3c(sc2n1)CO[C@H](CCC)C3 2223668 ROWJZBKMVVNVGF-SECBINFHSA-N 323.487 4.017 0 40 DIAB CCc1cccc(C)c1NC(=O)CSc1ccc(OC)cc1 7276726 YAWPTWNOXLIFDA-UHFFFAOYSA-N 315.438 4.297 0 40 DIAB Brc1ccc2cc(Oc3ncccn3)ccc2c1 7466494 KELBIWICBCZOSO-UHFFFAOYSA-N 301.143 4.185 0 40 DIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)C1CCC1 8705673 WPGUSMRSNLPXIB-IBGZPJMESA-N 305.377 4.439 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8868605 KWGJUASBJMLKCR-UHFFFAOYSA-N 321.380 4.286 0 40 DIAB CCc1ccc([C@H](NC(=O)c2ccccn2)c2cccs2)cc1 9900946 BCWJUBYUMKMTIH-SFHVURJKSA-N 322.433 4.225 0 40 DIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1 12758750 RXESMWHEXLCCOX-UHFFFAOYSA-N 318.376 4.318 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)c1cccs1 12783857 OVKBJCFTWOJPBR-VXGBXAGGSA-N 323.845 4.355 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 12988587 QMZWWGDNJBVARN-FZMZJTMJSA-N 314.351 4.083 0 40 DIAB COc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 13426605 AICCTRQMPYATGZ-UHFFFAOYSA-N 316.426 4.338 0 40 DIAB Cc1ccc2c(c1)nnn2C(=O)Nc1ccc(Cl)c(Cl)c1 16348478 AVJOTDMDYXHTSW-UHFFFAOYSA-N 321.167 4.127 0 40 DIAB O=c1[nH]nc(-c2ccc3c(c2)Cc2ccccc2-3)c2ccccc12 17419607 LZBFLTZTHFHBRZ-UHFFFAOYSA-N 310.356 4.161 0 40 DIAB Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c2ccccc2n1 19657032 WAXRNMUIOHJDFP-QGZVFWFLSA-N 316.404 4.173 0 40 DIAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccccc1 20483435 WBBWQUAWWBJRGI-SFHVURJKSA-N 311.425 4.258 0 40 DIAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 22516616 JPBFAXMYWMEKKZ-INIZCTEOSA-N 313.466 4.414 0 40 DIAB Cc1csc(SCc2noc(-c3ccc(Cl)cc3)n2)n1 29385625 YIVKNFWPIUVBKF-UHFFFAOYSA-N 323.830 4.447 0 40 DIAB COc1ccc(OC)c(NC(=O)c2cc3cccc(C)c3o2)c1 41306778 UTVJEGIUVPFRCU-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB CCc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1 58165464 MGCVDIQDODZFAY-UHFFFAOYSA-N 308.469 4.003 0 40 DIAB Cc1nc(N(C)Cc2ccccc2)ccc1[C@H](N)c1ccccc1 72224447 QAZDMYXMVIRCNR-OAQYLSRUSA-N 317.436 4.075 0 40 DIAB C[C@H](NCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 72670454 HJQCMCQQKRNPOI-AWEZNQCLSA-N 311.816 4.377 0 40 DIAB CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 84656154 QWDFBTCKPFIVOJ-CPUCHLNUSA-N 302.418 4.190 0 40 DIAB CC(C)(C)c1ccc(OCc2nnc(-c3ccccc3N)o2)cc1 85386253 GZJRENNTCIDYQG-UHFFFAOYSA-N 323.396 4.195 0 40 DIAB C[C@H](N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccco1 95421799 KKZMMPPJNGWWSY-SGTLLEGYSA-N 314.335 4.393 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccccc1 222976248 OUBZGTMBOPPFLV-VQIMIIECSA-N 311.425 4.338 0 40 DIAB COC(=O)C(C)(C)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C 223206897 JOBZPHHSTCNHSP-AWEZNQCLSA-N 303.446 4.347 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c1 224609143 HCDRDEGBMNXRAY-HNNXBMFYSA-N 305.462 4.402 0 40 DIAB CCOCc1cc(C(=O)Nc2ccccc2F)ccc1OCC 224694433 JOTPAOQIFVBVLN-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225647047 FFPGZHKTPGHTBM-KRWDZBQOSA-N 309.409 4.336 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(C)n1)c1ccc(C)cc1C 225717284 IKQSWWUPJIGGQD-INIZCTEOSA-N 313.470 4.445 0 40 DIAB CCCOC(=O)c1cc(-n2cccc2)ccc1N1CCCCC1 226277488 DINQKKCKBLWWPC-UHFFFAOYSA-N 312.413 4.034 0 40 DIAB Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)[nH]2)cc1 226299488 XIGLDUZHYQLSQY-UHFFFAOYSA-N 309.438 4.305 0 40 DIAB C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](c2cccnc2)C1 585089629 PQXQLPRCMBCFEJ-CRAIPNDOSA-N 300.446 4.004 0 40 DIAB Cc1oc2ccc(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C 44515 MSHNHUTYKOUGEH-UHFFFAOYSA-N 318.369 4.258 0 40 DIAB biogenic CC[C@H](C)C[C@@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 382311 BNXYDEABTXEYNL-SJCJKPOMSA-N 305.491 4.045 0 40 DIAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(Cl)cc1 4331521 ZXZPPKNNUSXAIQ-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB O=C(CSc1ccccc1)Nc1nc2c(F)cccc2s1 4496688 GQJNOAPPWCWPGS-UHFFFAOYSA-N 318.398 4.166 0 40 DIAB Oc1ccccc1C(=S)N1CCC(Cc2ccccc2)CC1 4723643 BLKCPAKRVYODCE-UHFFFAOYSA-N 311.450 4.022 0 40 DIAB CCc1ccc(-c2csc(NC(=O)CCSC)n2)cc1 6628134 DODREOVZGUSAJB-UHFFFAOYSA-N 306.456 4.064 0 40 DIAB Cc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112581 MAHIJSQRGXDNLB-LJQANCHMSA-N 318.376 4.355 0 40 DIAB Cc1cc(NC(=O)[C@@H](C)SC23CC4CC(CC(C4)C2)C3)no1 7418683 WGKHYIRXXSUDOW-SFCYXTAJSA-N 320.458 4.012 0 40 DIAB Cc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1 7662107 WIUQQJVPAUFYRY-UHFFFAOYSA-N 304.846 4.477 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccn1 8183684 UZKJXEFHAYOSAH-MRXNPFEDSA-N 316.404 4.169 0 40 DIAB CCc1cc(=O)oc2cc(OCc3cccc(F)c3F)ccc12 10199040 CTLXUCCHUWCYQI-UHFFFAOYSA-N 316.303 4.213 0 40 DIAB Cc1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 12635787 CEIGFWFJRGEFRE-UHFFFAOYSA-N 305.381 4.002 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1 12784534 VIFYMSBHMOOHDU-UHFFFAOYSA-N 306.818 4.318 0 40 DIAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3)cs2)cc1 12929763 DGRRBIPQWVPTMS-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CC(=O)CCSc1nnc(-c2ccccc2)n1-c1ccccc1 18032275 BELXHCWHHODWHD-UHFFFAOYSA-N 323.421 4.006 0 40 DIAB COc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@@H]3CCCC[C@H]32)cc1 19557604 NMNHVLOJRAIBPU-CGXNFDGLSA-N 322.452 4.152 0 40 DIAB CC(C)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 21536271 RVNBCBRSXVZLJH-KRWDZBQOSA-N 306.409 4.072 0 40 DIAB Cn1c2c(c3ccccc31)CCN1CCC[C@@]21c1ccccc1 26771513 KLBANMXKJPIDCF-OAQYLSRUSA-N 302.421 4.074 0 40 DIAB biogenic O=C(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1ccccc1 32889959 JTHPCWCMPLENSC-MRXNPFEDSA-N 303.764 4.456 0 40 DIAB COC(=O)c1c(O)cccc1CCc1cccc2ccccc12 35973656 AAJUVYINYRUVPT-UHFFFAOYSA-N 306.361 4.117 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2CC)c1 38756798 MCYIYNDSKXXCAO-CQSZACIVSA-N 313.397 4.054 0 40 DIAB CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCNC2)c(Cl)c1 42775474 IYKINRYPTWJTQZ-MRXNPFEDSA-N 315.844 4.407 0 40 DIAB O=C(c1cnc2ccccc2c1)c1ccccc1Br 43560611 GDQQSMFUSYNNDN-UHFFFAOYSA-N 312.166 4.228 0 40 DIAB CCn1c(SCCCc2ccccc2)nnc1-c1ccncc1 57473039 RDWGAHDGNZQUIC-UHFFFAOYSA-N 324.453 4.085 0 40 DIAB CCCC(=O)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C 58174094 LARPRBUSSVCOBM-UHFFFAOYSA-N 320.433 4.182 0 40 DIAB CN(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 60572732 YWPZBXPZIUIBTQ-UHFFFAOYSA-N 319.857 4.232 0 40 DIAB C[C@@H](CNC(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 65554423 NBCWXYRRTPPVPO-GETOMWPZSA-N 322.433 4.229 0 40 DIAB CC(C)CN1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216646 LNQWCARFVNGIPJ-SFHVURJKSA-N 301.478 4.255 0 40 DIAB Cc1nc(C(=O)N(CC(F)F)c2cccc(Cl)c2)cs1 84271962 LLZDTFQMBDXYJA-UHFFFAOYSA-N 316.760 4.017 0 40 DIAB CC(C)c1nnc(CN[C@H](C)c2ccccc2C(F)(F)F)o1 95985437 PECXSDOJGKGCFH-SNVBAGLBSA-N 313.323 4.063 0 40 DIAB CC(=O)c1c(F)cc(F)cc1OCc1ncc(C(C)(C)C)o1 97232446 IWRWBOXJEZRJJO-UHFFFAOYSA-N 309.312 4.032 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 102232016 OUKFDYXJVKKWSX-ZYSHUDEJSA-N 303.405 4.104 0 40 DIAB CO[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118912575 YQVNELYVHGIKRR-WDCLZLQXSA-N 304.474 4.325 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1C 219273066 UHZPLVKPIPOJKU-LJQANCHMSA-N 311.425 4.122 0 40 DIAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1 223635267 FHVZKXDJSJMGRJ-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 225633374 ZVIQQEMSMUOWKB-KXBFYZLASA-N 319.445 4.399 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1 225691803 HVJKXYBUVQMPBV-SFHVURJKSA-N 307.434 4.255 0 40 DIAB CC(C)c1ccc(-n2ncc3c(Cl)nc(Cl)nc32)cc1 228956018 ROUMARGSMNUFHY-UHFFFAOYSA-N 307.184 4.246 0 40 DIAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccc(F)cc1 261507000 DJFZIIFDEYUHLB-HZPDHXFCSA-N 323.408 4.178 0 40 DIAB Clc1cnc(NC[C@@H](c2ccsc2)c2ccco2)nc1 1775970126 CIRILYBMFQCGBL-LBPRGKRZSA-N 305.790 4.029 0 40 DIAB Clc1c2ccccc2nn1-c1ccc(Br)cc1 159364 RAQHLMAUZZIWKG-UHFFFAOYSA-N 307.578 4.441 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)Cn2nc(C(F)F)cc2C)cc1 1002331 XYXZRUHHCPVAIE-NSHDSACASA-N 321.371 4.281 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1Cl 3524218 WSAGQYADKMJJAK-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB O=C(CN1CCCCCCC1)Nc1cc(Cl)ccc1Cl 3538885 ZKRWGZWWVDCIOZ-UHFFFAOYSA-N 315.244 4.198 0 40 DIAB CC(=O)O[C@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C)cc1 4934865 CKPYASAJCGEVHL-CMKODMSKSA-N 315.457 4.111 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1ccc(Br)cc1 5698842 XUAMAHDFOVLIDW-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(Nc1cccnc1Cl)c1ccc(Cl)c(Cl)c1 6330517 HKAPPIPRLVJBIR-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB COc1cc(CNC(C)(C)C)ccc1OCCc1ccccc1 6882536 JKTDODFXDMJYRP-UHFFFAOYSA-N 313.441 4.205 0 40 DIAB Cc1cccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)c1 8837283 LSLBMMPJDBOBPU-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(OC(F)(F)F)cc1 14202162 HZMCZBUMBRUOEH-LBPRGKRZSA-N 323.314 4.385 0 40 DIAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2C[C@H]2C)cc1 14794220 HGXXCHXUGLRMNY-CZUORRHYSA-N 311.381 4.472 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 15306073 NXPDYGPMEBWXJZ-NSHDSACASA-N 321.829 4.468 0 40 DIAB CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 21311834 QENXHVAQRAMMJR-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cccnc1NC1CCCCC1 22071964 UQPVDOZEDYWDEU-UHFFFAOYSA-N 313.376 4.218 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccccc1 22328554 BYQZVXPXOVTQJH-MRXNPFEDSA-N 303.764 4.456 0 40 DIAB O=C(CSCc1ccccc1F)NCc1ccc(Cl)cc1 23410834 XKGGIJWFOZPZMU-UHFFFAOYSA-N 323.820 4.029 0 40 DIAB CCc1ccc(C(=O)[C@@H](C)Sc2ncc3ccccn23)cc1 26372043 IOCOYJJBCXTGBL-CYBMUJFWSA-N 310.422 4.260 0 40 DIAB COc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 27583468 ZLUBVSUOFBOEEO-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB O=C(NCCC1=CCCCC1)c1csc(-c2cccs2)n1 32744578 YZBZZORMUGNVMK-UHFFFAOYSA-N 318.467 4.492 0 40 DIAB CCOC(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 34447485 QCWORPWAKUCKSU-UHFFFAOYSA-N 316.304 4.082 0 40 DIAB CC[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1OC 40090470 COPOHHPZWFHROX-NKSUMMKUSA-N 301.411 4.037 0 40 DIAB O=C(NCc1cccc(F)c1)C(c1ccccc1)c1ccccc1 43740207 ABGHJRBQZWAFBY-UHFFFAOYSA-N 319.379 4.274 0 40 DIAB CCCC(=O)Nc1ccc(CNCc2ccc(C)cc2C)cc1 47719543 PWEBBVYYBAFPPP-UHFFFAOYSA-N 310.441 4.332 0 40 DIAB C[C@H]1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 63282768 IKNMZCNHGRRVTJ-HNNXBMFYSA-N 318.424 4.318 0 40 DIAB O[C@@H](c1ccccc1)c1ccc(SCc2ccccc2)nc1 72225413 MHBSGHYUTPKNHG-IBGZPJMESA-N 307.418 4.456 0 40 DIAB CCOc1cccc2c(Nc3cccc(C(=O)O)c3)ccnc12 72237117 SENBLXFRDQFDMA-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB Cc1cc(C)cc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)c1 73639383 LHEKDPUBQDTPAB-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB CC(C)CN(CC(C)C)C(=O)c1ccccc1C(F)(F)F 75244184 ATSDCNYDZBZBPV-UHFFFAOYSA-N 301.352 4.460 0 40 DIAB CCOCc1ccccc1NC(=O)Nc1cccc(COC)c1 79101455 GNQYGNDTUWTABK-UHFFFAOYSA-N 314.385 4.014 0 40 DIAB Cc1ccc(C(C)(C)c2nccc(-c3sc(N)nc3C)n2)cc1 95629759 VVSQWMGZKWUMNM-UHFFFAOYSA-N 324.453 4.125 0 40 DIAB CC(C)c1noc([C@@H](C)Oc2ccccc2Br)n1 95961287 PAMNTVXJKJQCRJ-SECBINFHSA-N 311.179 4.096 0 40 DIAB Cc1nc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)c(C)s1 95973354 IFDZAFZWQJJIGA-WQGACYEGSA-N 314.454 4.167 0 40 DIAB Fc1ccccc1CCN[C@H](c1ccccc1)c1cccnc1 95996208 NYJGVVLFINHJRN-HXUWFJFHSA-N 306.384 4.142 0 40 DIAB CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C 96105186 CYYXSDPTWCZOLP-MRXNPFEDSA-N 318.804 4.158 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)C2 107325856 GMTDNUUDMZFYMG-XERREHJYSA-N 324.468 4.432 0 40 DIAB COc1ccc(C(=O)O)cc1CSc1ccc(Cl)cc1 131936653 SSBWKVUFVXVYNH-UHFFFAOYSA-N 308.786 4.339 0 40 DIAB CCCC[C@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223223888 ZWIUPQUBYOWRMO-OAHLLOKOSA-N 317.429 4.341 0 40 DIAB Cc1cc(C)cc(C[C@@H](Oc2ccccc2Cl)C(=O)O)c1 225036244 JUHQWMCJFBUPPC-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB S=C(NCCC1=CCCCC1)Nc1ccc2sncc2c1 225171775 ZJFFFGYOTZNPRV-UHFFFAOYSA-N 317.483 4.473 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1 225388348 MQPSQRFVGWJYRY-UHFFFAOYSA-N 320.408 4.192 0 40 DIAB CCN(Cc1cccc(NCc2sccc2Cl)c1)C(C)=O 225609055 IJNVYKWQIUZFOD-UHFFFAOYSA-N 322.861 4.382 0 40 DIAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccccc3)C2)n1 257230554 GCVRIYAOYMYQMO-KRWDZBQOSA-N 319.408 4.035 0 40 DIAB Cc1ccc(-n2cc(CN(C)C)c(-c3ccc(F)cc3)n2)cc1 521398837 ILOUJEJHFOXTHH-UHFFFAOYSA-N 309.388 4.048 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc(F)c(F)c2F)cc1 93663 CCQREGQAHVCTIP-UHFFFAOYSA-N 311.328 4.143 0 40 DIAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 249828 MMFMETRFZYIPFE-UHFFFAOYSA-N 309.287 4.356 0 40 DIAB Cc1cc(NC(=O)c2ccccc2C)ccc1Br 345103 KADIIRZUZUETAE-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Clc1ccccc1CNCc1ccc(Br)cc1 386354 BREAXGATSBXUHN-UHFFFAOYSA-N 310.622 4.392 0 40 DIAB CCC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 517214 XPZHHBKQVGOLSX-XOBRGWDASA-N 310.441 4.368 0 40 DIAB biogenic CC[C@]1(C)Cc2c(sc3nc(SC)nc(Cl)c23)CO1 521536 CRJRZKFOXLSJOQ-CYBMUJFWSA-N 314.863 4.308 0 40 DIAB C[C@@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1Cl 1389064 TXXDVXDGMLDNLY-SNVBAGLBSA-N 322.191 4.421 0 40 DIAB CCCN(CCNc1cc(OC)cc2cccnc12)[C@H](C)CC 1656141 RCVJKZIMWUDHPW-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1Cl 2580340 QQDFGNMRZQFOQV-UHFFFAOYSA-N 303.185 4.300 0 40 DIAB CC[C@@H]1CCCCN1C(=O)CSc1c(C)[nH]c2ccccc12 2718319 NHDDBUUFQOTJJD-CQSZACIVSA-N 316.470 4.360 0 40 DIAB O=C(CSc1ncnc2c1oc1ccccc12)c1ccccc1 4106828 JRZPURRSSLFOQX-UHFFFAOYSA-N 320.373 4.351 0 40 DIAB CN1C(=O)S/C(=C\c2cccc(Oc3ccccc3)c2)C1=O 4108621 JCOFCSJCDGGJMA-PTNGSMBKSA-N 311.362 4.145 0 40 DIAB O=C1O[C@@H](CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 4802799 WRMAPYKTAWTUIB-UTNBAMHJSA-N 310.393 4.074 0 40 DIAB Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 5089841 VPHBLZNSQCPWIG-UHFFFAOYSA-N 317.816 4.122 0 40 DIAB COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cn1 5199239 OTTFKOZQUXEWMZ-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB CCc1cccc(C)c1NC(=S)Nc1ccc(OC)cc1 6944572 FLQMVJUZVNYXCC-UHFFFAOYSA-N 300.427 4.375 0 40 DIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)C3CCCC3)n2c1 6971071 JVICTQOARIHZES-UHFFFAOYSA-N 319.408 4.438 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)c1cccs1 8275491 XNSPGVNKYSIZJU-UHFFFAOYSA-N 307.802 4.312 0 40 DIAB O=C(Nc1ccccc1F)Nc1ncc(Cl)cc1Cl 8429355 NVZKOPHPHVGKBX-UHFFFAOYSA-N 300.120 4.172 0 40 DIAB CCC[C@@H](Sc1ccccc1NC(=O)CC(C)C)C(=O)O 8732859 CJPRREVBEOWACI-CQSZACIVSA-N 309.431 4.017 0 40 DIAB Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1F 10257737 ZESZELMRMQWSNE-UHFFFAOYSA-N 315.373 4.066 0 40 DIAB CN(C)c1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12562812 IIXKDBNHSSVCRS-UHFFFAOYSA-N 323.421 4.128 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 12855719 ATQKGNNFGDFBRE-UHFFFAOYSA-N 324.405 4.136 0 40 DIAB Cc1ccc(C(=O)N2CCc3cc4cccc(C)c4nc32)cc1 15842000 GBGPBKSUUGILAT-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1cc(Nc2ccc(N(C)C)cc2)c2cc(C(=O)O)ccc2n1 19691612 LJODJOOUHMKNTG-UHFFFAOYSA-N 321.380 4.051 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSC(C)(C)C 20047621 PYMYDRMHOAEKNF-OAHLLOKOSA-N 323.502 4.109 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 20490894 YJTFXJWABDGAOL-BLXFFLACSA-N 313.372 4.115 0 40 DIAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1C 22465198 IVWTZLSJHVISDT-NSHDSACASA-N 322.330 4.160 0 40 DIAB CN(C)CCN(Cc1cccs1)Cc1cccc2ccccc12 23247840 WIDIQZXZZKUVRD-UHFFFAOYSA-N 324.493 4.465 0 40 DIAB CC(C)Cc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 28540082 PHVRUXPQKUSPMR-UHFFFAOYSA-N 315.442 4.444 0 40 DIAB CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)s1 30315689 YLXCLJGKOKMKNV-JTQLQIEISA-N 321.829 4.437 0 40 DIAB COc1ccc2c(C)c(-c3nnc(-c4ccccc4)o3)oc2c1 32913471 JQIPCPVDZPRTSN-UHFFFAOYSA-N 306.321 4.467 0 40 DIAB COc1ccc([C@H](NC(=O)CCCc2ccccc2)C2CC2)cc1 40107430 BNIRMGQXBWWSBC-OAQYLSRUSA-N 323.436 4.285 0 40 DIAB O=C(c1cccc(C2OCCO2)c1)c1cccc(Cl)c1Cl 43212583 NHBFQJYMRAUGQV-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(O)c(Cl)c1 49546628 AHDMYXNZFKHEQA-SNVBAGLBSA-N 319.792 4.121 0 40 DIAB Fc1cc(Br)ccc1Nc1ncnc2ccccc12 57524299 CEONPTGQKWBLKH-UHFFFAOYSA-N 318.149 4.275 0 40 DIAB O=C(COC(=O)c1ccsc1)c1ccc(Cl)c(Cl)c1 60769482 CTBBHONWBNMARU-UHFFFAOYSA-N 315.177 4.095 0 40 DIAB CN1CC=C([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 65743351 CAQVAQIJQYJEND-IBGZPJMESA-N 324.855 4.227 0 40 DIAB in-vitro Cc1noc(C(C)C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 69654039 MGUGCLULZPXZAN-TZMCWYRMSA-N 318.804 4.046 0 40 DIAB c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCC2)cc1 72215972 XADLMMXPZFBVHA-IBGZPJMESA-N 307.441 4.019 0 40 DIAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1Cc1ccccc1 72218766 JAZIMHBHWOMFCS-IBGZPJMESA-N 309.457 4.183 0 40 DIAB CCSc1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1 73991047 OGXHTSPPWWMDKU-LBPRGKRZSA-N 301.415 4.076 0 40 DIAB Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1ncc(F)cn1 95972390 VEYRNQPCJCJMAF-NSHDSACASA-N 314.389 4.221 0 40 DIAB CS[C@@H]1CCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 96409417 JCLIORCNMVOCKF-GHMZBOCLSA-N 317.376 4.109 0 40 DIAB COc1ccc(CCN[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1OC 104188869 NFFKFPDZEUOKMC-XFQXTVEOSA-N 317.473 4.051 0 40 DIAB CCCO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132543 DTSIFSVKXQHQCJ-MRXNPFEDSA-N 316.422 4.260 0 40 DIAB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)c1 225202647 ITOMUFPWVUUAHK-LLVKDONJSA-N 305.834 4.091 0 40 DIAB CCc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 225356403 RIDQCTGQRFKOBF-UHFFFAOYSA-N 307.315 4.449 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1C 225473734 GTQJKUWYMCAOOG-UHFFFAOYSA-N 317.820 4.114 0 40 DIAB Cc1cc(C(=O)NCc2ccc(-c3ccsc3)o2)c(C)o1 575609266 AIYDBEGNXMYKPW-UHFFFAOYSA-N 301.367 4.148 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2o1 575611572 WVRBBKKBBMXLQY-UHFFFAOYSA-N 307.305 4.216 0 40 DIAB CCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1 44004 MPSXKDBRGMXOCS-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1C 574421 HPODAJJOYPTGTQ-UHFFFAOYSA-N 307.752 4.113 0 40 DIAB CCOc1ccc(C(C)(C)c2cc3c(cc2OC)OCO3)cc1 1588748 YZLFMANGVKBSSZ-UHFFFAOYSA-N 314.381 4.149 0 40 DIAB CCN(CC)[P@@](=O)(OCC(F)(F)F)Oc1ccccc1 3156667 LAGBUOHKLSJTAZ-HXUWFJFHSA-N 311.240 4.094 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1 3383246 XFSWPJZFZRSCPF-NSHDSACASA-N 321.829 4.468 0 40 DIAB CC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 4679175 GSILBSANXVWBMR-LYERLJAMSA-N 310.353 4.016 0 40 DIAB Cc1ccc2scc(N3CCc4ccccc4C3)c(=O)c2c1 5202422 IWARPMQCUGEJAR-UHFFFAOYSA-N 307.418 4.133 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5866304 YQALEFYKKHPJOF-LBPRGKRZSA-N 323.314 4.420 0 40 DIAB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 6660194 MJVPQOUOCJBYOX-CYBMUJFWSA-N 313.788 4.097 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCSc3ccccc32)c(C)s1 7779384 BFYOPIMPVUBKDF-CQSZACIVSA-N 303.452 4.332 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc3ccccc3c(=O)s2)c1 12274386 BUJUKDIYISYZMM-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB CC(=O)NCc1ccc(-c2csc(-c3ccccc3C)n2)o1 14163564 KSJXGQZUCLBPRP-UHFFFAOYSA-N 312.394 4.015 0 40 DIAB Fc1ccc(NC(=S)NCCc2cccs2)cc1Cl 16265644 BCJKKTIQAQEULD-UHFFFAOYSA-N 314.838 4.070 0 40 DIAB O=C(NCCc1csc(-c2ccccc2)n1)C1CCCCC1 17192249 SILNBOCIGGIDPD-UHFFFAOYSA-N 314.454 4.049 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)Nc1ccc(F)cc1F 18172500 DENLPPDGPUOIRJ-UHFFFAOYSA-N 317.339 4.209 0 40 DIAB O=c1oc(-c2cccc(Cl)c2)nc(O)c1C1CCCCC1 19596966 JNEIZALGEWCPSV-UHFFFAOYSA-N 305.761 4.109 0 40 DIAB CC(C)(C)CN1CCO[C@@H](c2ccc(Cc3ccccc3)cn2)C1 19692874 WYCXXFOEMVHGKI-HXUWFJFHSA-N 324.468 4.092 0 40 DIAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1 22072818 AZHKXCSWDCECLL-UHFFFAOYSA-N 307.328 4.217 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C 23177781 XHVNYFIINRTCEU-CMPLNLGQSA-N 304.415 4.020 0 40 DIAB Cc1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 27920629 QPOIXWUMSIKAMA-UHFFFAOYSA-N 324.359 4.023 0 40 DIAB CN(C)[C@@H](CNc1nc2ccccc2o1)c1ccccc1Cl 29336022 GQLBWGFJDUCKFE-HNNXBMFYSA-N 315.804 4.196 0 40 DIAB COc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2)cc1 37350245 PCFWEDGJBIIVLW-UHFFFAOYSA-N 300.745 4.253 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 40945972 YJFMUJKJTWIOTO-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(F)cc1Cl 43214367 SZRKDUTZRXHAIP-UHFFFAOYSA-N 300.757 4.175 0 40 DIAB C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1Cl)C1CC1 69699327 KEGYBUNHNVWBJN-GFCCVEGCSA-N 315.804 4.493 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CCC2)nc1 72213836 LEFPAPMFZAFVBG-HNNXBMFYSA-N 317.433 4.118 0 40 DIAB c1ccc(CN2CCC[C@H]2c2cccnc2NC2CCC2)cc1 72213888 MSMNZPZMBAFRQQ-IBGZPJMESA-N 307.441 4.383 0 40 DIAB CCc1nn2c(O)c(CC)c(C)nc2c1-c1ccc(Cl)cc1 102723037 FEELDDBVUXZXCY-UHFFFAOYSA-N 315.804 4.189 0 40 DIAB CCN(CCCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1 225058423 UHZGHXAWROGJDS-UHFFFAOYSA-N 324.468 4.258 0 40 DIAB CC1=N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)O1 408818642 PXPUINYBXRWRGB-WOJGMQOQSA-N 316.360 4.006 0 40 DIAB O=C(/C=C/c1cccs1)NCc1ccc(-c2ccsc2)o1 575610115 KFARRTBBVIMBPG-GQCTYLIASA-N 315.419 4.399 0 40 DIAB CC(=O)Nc1cc(C)c2oc(-c3ccccc3Cl)nc2c1 585655913 PPAGULQUJVRATD-UHFFFAOYSA-N 300.745 4.415 0 40 DIAB OCc1cc(-c2cccs2)nc2c(C(F)(F)F)cccc12 685937604 TUZNMGGPIFRRID-UHFFFAOYSA-N 309.312 4.474 0 40 DIAB COCOc1ccc2cc(Br)ccc2c1Cl 1083800001 NZTHCMRCJAQZGB-UHFFFAOYSA-N 301.567 4.238 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 60717 DTNCKZCYLUPFQE-UHFFFAOYSA-N 306.192 4.192 0 40 DIAB biogenic,in-vitro Clc1cccc(OCc2noc(-c3ccnc(Cl)c3)n2)c1 166722 VJMKPLMVVUOOJA-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccccc1 362404 WAKAIOIWPGEZPJ-HNNXBMFYSA-N 305.377 4.096 0 40 DIAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 4070341 AEOFIXNGNALKHA-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCSc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1 4585703 FCBAMEAJNYDEND-UHFFFAOYSA-N 320.439 4.018 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1C 5235092 ZYVBFHCTCRTNOM-UHFFFAOYSA-N 324.829 4.341 0 40 DIAB CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 6259815 ACJPCZWPWKQKMV-UHFFFAOYSA-N 320.483 4.174 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 6500059 KAYYIYDHRSEWHR-YPDSZPBGSA-N 320.473 4.091 0 40 DIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21 7115055 NHNAJNSQGUVKAB-AWEZNQCLSA-N 304.393 4.192 0 40 DIAB O=C(CCc1cccs1)N[C@@H]1CCSc2ccccc21 8394662 MTYLFOBQQFVNLX-CQSZACIVSA-N 303.452 4.034 0 40 DIAB O=C1C[C@@H](c2cccc(Cl)c2)c2c(-c3ccccc3)n[nH]c2N1 8994920 BOOAJPDDOPQUEP-AWEZNQCLSA-N 323.783 4.204 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(C)ccn3)ccc2c1 12539127 QUOGFPPPCZTQAX-AWEZNQCLSA-N 320.392 4.294 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)cc1 12780953 WRBMYFRBGGAKOQ-JNMQVBFRSA-N 307.393 4.072 0 40 DIAB C[C@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 13656270 VDYRINLHVJBFDA-TXEJJXNPSA-N 322.861 4.073 0 40 DIAB O=C(CCc1ccccc1)N[C@H]1CCSc2ccc(F)cc21 15198988 LLHHKIROFHRSBQ-INIZCTEOSA-N 315.413 4.112 0 40 DIAB COc1ccc(-c2cc(Nc3cccc(OC)c3)nc(C)n2)cc1 15859151 PXIGUXJBFDXZGL-UHFFFAOYSA-N 321.380 4.213 0 40 DIAB CCOc1ccccc1CNc1ccc(Br)cc1 19922955 YWSCBBPNGLHSFS-UHFFFAOYSA-N 306.203 4.460 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc(N3CCCCC3)cc2)cc1 20111473 JGFCHPWOAYGLMX-UHFFFAOYSA-N 322.452 4.258 0 40 DIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 20490340 VBCDWYNUVUSLHX-FQEVSTJZSA-N 322.452 4.164 0 40 DIAB COc1cc2c(cc1CN[C@@H](C)c1ccccc1C)O[C@@H](C)C2 22777483 GAOSVTVSRXCOEZ-GJZGRUSLSA-N 311.425 4.178 0 40 DIAB O=C(O)c1ccccc1-c1nn(-c2ccccc2)c2c1CCCC2 26460515 RVTKCPFICXGNPF-UHFFFAOYSA-N 318.376 4.116 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 30860977 RSWJPDRFFVQHFD-HOTGVXAUSA-N 311.425 4.455 0 40 DIAB CC(C)[C@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 32803507 DQWWPLDNOMQSGD-AEFFLSMTSA-N 312.413 4.354 0 40 DIAB Cc1oc(C)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C 32808757 ARUIXABEAJZIRN-UHFFFAOYSA-N 315.369 4.022 0 40 DIAB O=C(CSc1ccccc1Cl)N[C@@H]1CCc2ccccc21 32843543 PTQSSJGCIPIJDV-OAHLLOKOSA-N 317.841 4.236 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1snnc1-c1ccccc1 36358855 FTEJPPZNROKLIR-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 45221857 DBKBMJCKFGJAKM-UHFFFAOYSA-N 322.452 4.456 0 40 DIAB biogenic,in-vitro COc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 59351890 SXEDCPZETSPCHA-CNELAYHGSA-N 315.800 4.239 0 40 DIAB Cc1nc(Cl)cc(Oc2ccccc2OCC(F)(F)F)n1 60378044 WOUGDWMPKQKEOX-UHFFFAOYSA-N 318.682 4.172 0 40 DIAB CC(C)Oc1cc(C(=O)N2CCCCCC2)cc2occc12 72240203 VMCVSRCCWCEMHQ-UHFFFAOYSA-N 301.386 4.236 0 40 DIAB CCN(C(=O)Nc1ccc(OC)c(C)c1)[C@H](C)c1cccnc1 72286344 WLYPVYFLLXRCFW-CQSZACIVSA-N 313.401 4.014 0 40 DIAB Cc1csc([C@@H](C)NCc2ccc(OCC(C)C)cc2)n1 84268042 YHCUWVPBPCVCGS-CQSZACIVSA-N 304.459 4.337 0 40 DIAB C[C@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C 95978537 UJJDCQDBMRVRGZ-MAUKXSAKSA-N 315.457 4.067 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 100620939 XIXOIPGLZLFHTF-LBRJOISOSA-N 324.424 4.205 0 40 DIAB COc1ccc(-c2cnc(-c3ccc(Cl)c(N)c3)o2)cc1 216392723 BFBRTISUBGCPDK-UHFFFAOYSA-N 300.745 4.253 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 219602263 SGTLLMICHMSDTI-KRWDZBQOSA-N 315.800 4.087 0 40 DIAB Fc1cccc(F)c1NC(=S)NCCSc1ccccc1 225284777 PUGXPRJNXVEDMB-UHFFFAOYSA-N 324.421 4.044 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1 225729105 OTCVXPVHRSKYJH-GOSISDBHSA-N 307.434 4.399 0 40 DIAB O=C(NCC1(c2ccsc2)CC1)c1cc2ccccc2s1 1889062027 YDSDXPHYNDGFAT-UHFFFAOYSA-N 313.447 4.424 0 40 DIAB c1ccc(-c2ccnc(-c3nncc(-c4ccccc4)n3)c2)cc1 57717 IEXDNBFYYPNCDJ-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB Clc1ccc2[nH]c3c(NCc4ccccc4)ncnc3c2c1 539721 KBLGHAQCCKKZKV-UHFFFAOYSA-N 308.772 4.377 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 3514916 SADWHNCNJWAGSV-JTQLQIEISA-N 310.180 4.399 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1cc2sccc2n1C 4971177 WMIDVBPMBVDACM-UHFFFAOYSA-N 304.802 4.454 0 40 DIAB Cn1cc(NC(=O)Nc2ccc(F)c(F)c2)c2ccccc21 5265830 CQJQTEULQPLPTN-UHFFFAOYSA-N 301.296 4.101 0 40 DIAB CCC[C@@H](Nc1ccc(F)c(F)c1)n1nnc2ccccc21 5310848 QTCUTLVKHHQVEA-INIZCTEOSA-N 302.328 4.120 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 8318070 VSZGLEWFCLHCGA-GFCCVEGCSA-N 323.314 4.420 0 40 DIAB Cc1cccnc1NC(=O)c1ccccc1Cc1ccccc1 12543580 CFXWNTHSWPCIKI-UHFFFAOYSA-N 302.377 4.233 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl 12588992 WLBNVFALHUIMLT-UHFFFAOYSA-N 306.152 4.122 0 40 DIAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1O 19964371 KHGPAHIIGVXLBQ-UHFFFAOYSA-N 322.202 4.084 0 40 DIAB O=C(NC(C1CC1)C1CC1)C(c1ccccc1)c1ccccc1 22385253 ZVXSMKOJBNWHKG-UHFFFAOYSA-N 305.421 4.123 0 40 DIAB c1ccc(Cn2ncc3c2CCC[C@@H]3NCc2cccs2)cc1 27223080 LWDOGHGAUDNPDV-SFHVURJKSA-N 323.465 4.160 0 40 DIAB Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)s1 28925555 OJXWIDFLCGBIRF-ZDUSSCGKSA-N 314.454 4.256 0 40 DIAB CCc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 36302293 GNZUFXNWOBSFHQ-UHFFFAOYSA-N 300.226 4.176 0 40 DIAB CC(C)c1ccccc1NC(=O)CN[C@H](C)c1ccc(F)cc1 38151516 WKBJWURPBIOZIL-CQSZACIVSA-N 314.404 4.238 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCCCCC1 44884712 LMHYYDDSCRIJJD-OAHLLOKOSA-N 309.837 4.336 0 40 DIAB Cn1c(S[C@@H]2CCCc3ccccc32)nnc1-c1cccnc1 47221744 MBLCDQYMBXVUPD-MRXNPFEDSA-N 322.437 4.047 0 40 DIAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccsc1 48533738 GNBPPUXZPQAATE-GIDUJCDVSA-N 313.422 4.261 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)o1 53641488 XKAZFTJZCYICTH-IUODEOHRSA-N 308.381 4.157 0 40 DIAB Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccco2)n1 71977905 XNVURKMWDWTXOE-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB COc1cccc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)c1 72427586 ZWIIZYFDHQODQH-UHFFFAOYSA-N 324.405 4.444 0 40 DIAB Cc1ccc(C)c(-c2nc3cc(-n4cnnc4)cc(C)c3o2)c1 73639803 KCCNHEPANABTJB-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB C[C@H](Sc1nnc(N)s1)[C@H](C)c1nc2ccccc2s1 79020081 LREUHJGXGSXFBH-YUMQZZPRSA-N 322.484 4.014 0 40 DIAB CCO[C@H](C)c1noc(CNc2c(C)cccc2C(C)C)n1 85288198 GSQKXKUFGHAQLJ-CYBMUJFWSA-N 303.406 4.211 0 40 DIAB CC(C)(C)[C@H](N[C@@H]1CCN2CCC[C@@H]2C1)c1ccc(F)cc1 95972011 WIJOYLPNTPBLHK-KZNAEPCWSA-N 304.453 4.129 0 40 DIAB Cc1c(C)n(-c2ccccc2)c2ncn(C3CCCCC3)c(=N)c12 101414531 SXCKLENLLRPNSI-UHFFFAOYSA-N 320.440 4.429 0 40 DIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 106526931 OZLZGUXDBDHJOA-RZLSGREXSA-N 301.430 4.154 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224337903 HVSNZVCQPYOUPB-HNNXBMFYSA-N 309.409 4.280 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1 224965438 HUMLVUHHFKTIFF-UHFFFAOYSA-N 322.452 4.475 0 40 DIAB CSc1ccccc1NC(=S)NCCCc1ccccc1 408587989 VQHKCRKHJOKVHX-UHFFFAOYSA-N 316.495 4.328 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1 45981 BHXSNAVDSSUHDX-XCVCLJGOSA-N 320.161 4.240 0 40 DIAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cl 97799 NZZHRBQXFHVPBE-UHFFFAOYSA-N 318.785 4.212 0 40 DIAB CCc1oc2cc(OC)ccc2c(=O)c1Oc1ccc(F)cc1 401011 JZIMFJCDKZSZPR-UHFFFAOYSA-N 314.312 4.295 0 40 DIAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2C)c1 908248 QCNSKPXKCAPGCO-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB COc1ccc(CC[C@@]2(C)OCC(C)(C)[C@H](C(C)C)O2)cc1 1670843 VJGJMVLTLIGRGF-HKUYNNGSSA-N 306.446 4.442 0 40 DIAB O=P(Cc1ccccc1)(N1CCCCC1)N1CCCCC1 1737422 WSKKPQXZNCGRDG-UHFFFAOYSA-N 306.390 4.352 0 40 DIAB Cc1cccc(OCCCCn2c(CO)nc3ccccc32)c1C 1926883 HMMHRINFQUDNHQ-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 3561131 PMWSREAIRMGRNL-UHFFFAOYSA-N 306.192 4.125 0 40 DIAB CCSc1nc2scc(-c3cccs3)c2c(=O)n1CC 5583401 RADBMEGMTLDODY-UHFFFAOYSA-N 322.480 4.318 0 40 DIAB O=C(Nc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 6344034 IHUFZJBEOJTCBE-UHFFFAOYSA-N 316.360 4.191 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)/C(=C/O)C[C@@]43C)[C@@H]1CC[C@@H]2O 6664333 DKCLFTBKKHWBQS-KBYKCKANSA-N 318.457 4.011 0 40 DIAB C[C@H](CC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 6832117 YIGLPRDJXCLOLV-CYBMUJFWSA-N 323.421 4.337 0 40 DIAB O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1Cl 6926968 WXEPALNYJSXAAT-UHFFFAOYSA-N 309.196 4.358 0 40 DIAB Fc1ccccc1NC(=S)NC12CC3CC(CC(C3)C1)C2 6926985 YWOUQXIANAMVME-UHFFFAOYSA-N 304.434 4.081 0 40 DIAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1 6982096 YJMFNWWMPNXCIT-UGSOOPFHSA-N 311.381 4.472 0 40 DIAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)c(C)c1 7595986 PVLBEAHKEDNCOI-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB CCCCC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 9141094 AQYWQNYWRXQXRE-UHFFFAOYSA-N 308.381 4.301 0 40 DIAB Cc1ccsc1/C=C/C(=O)Nc1ccccc1OC(F)F 9457936 BSGYKDGVSASPNR-VOTSOKGWSA-N 309.337 4.310 0 40 DIAB O=C(CCSc1ccccc1)Nc1ccc2scnc2c1 10217581 WURXXDUHPNJPCK-UHFFFAOYSA-N 314.435 4.417 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1cc(Cl)ccc1F 12829213 SLBWZGRHOKEHJQ-UHFFFAOYSA-N 324.808 4.457 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(Cl)cc1 13709713 RYLRBMVJSPAKIU-NSHDSACASA-N 324.207 4.077 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 15316430 KBHKXARFRTWEJS-VXGBXAGGSA-N 321.779 4.124 0 40 DIAB c1cnc2cc(-c3ccncc3)nc(NC3CCCCC3)c2c1 19345351 LHBVNXLKLJSPFI-UHFFFAOYSA-N 304.397 4.436 0 40 DIAB Cc1ccc(C)c(CC(=O)N2CCC(Cc3ccccc3)CC2)c1 30757614 VURQURKLPFSJRO-UHFFFAOYSA-N 321.464 4.327 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H](C)C(C)(C)C 31406487 KDCAUVVDTOCNRA-CYBMUJFWSA-N 300.402 4.157 0 40 DIAB Cc1oc(C)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1C 32819383 MGOYBASGMFYTIB-UHFFFAOYSA-N 311.425 4.300 0 40 DIAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 32876663 QTOUMIZEIHBRCR-UHFFFAOYSA-N 314.366 4.054 0 40 DIAB CC(C)OCCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 36398450 MJPVLBDFKUFXMR-UHFFFAOYSA-N 316.445 4.010 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 36729521 WCSGIEBKCMDPGP-IBGZPJMESA-N 311.425 4.277 0 40 DIAB O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(F)cc1 58135996 JSPNVYLFLFTHBE-UHFFFAOYSA-N 309.344 4.222 0 40 DIAB CC(C)CNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72213304 NDTLPLUHICQJIR-LJQANCHMSA-N 309.457 4.487 0 40 DIAB Cc1cc(NC(=O)OC(C)(C)C)c(F)cc1Br 85344386 IOFPREVEXKRZQR-UHFFFAOYSA-N 304.159 4.244 0 40 DIAB in-vitro CN(C(=O)CCCSC(C)(C)C)c1ccc(Cl)cn1 89694469 SIEICQYCGLZPMP-UHFFFAOYSA-N 300.855 4.010 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261927 VUMGPIOQOVMRQU-KKOKHZNYSA-N 307.484 4.159 0 40 DIAB ClC12C[C@@H]3C[C@@H](C1)CC(c1nnc(-c4ccco4)o1)(C3)C2 102168668 CWKHRKBZVUBXIB-CHISNJGVSA-N 304.777 4.159 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@]1(C)CC[C@@H]2O 118914973 DQOPJSFDWXFQLN-UZEMSBSCSA-N 304.474 4.061 0 40 DIAB CCCCn1c(C)c(C(=O)OC)c2cc(O)c3ccccc3c21 142995843 KGMZHMYBXYNEGE-UHFFFAOYSA-N 311.381 4.395 0 40 DIAB Fc1cc(CNCc2ccccc2)c(F)cc1Br 199827149 CKWGURFSYYUZLG-UHFFFAOYSA-N 312.157 4.017 0 40 DIAB CCCCOCc1cc(C(=O)Nc2ccccc2)ccc1OC 224435002 WSSBKYDDADODIB-UHFFFAOYSA-N 313.397 4.264 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 225346938 IKPGIDCIZJNNDI-HFAKWTLXSA-N 312.240 4.231 0 40 DIAB CC[C@H](NC(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1 225665970 CZVKEEVBTOEIJO-INIZCTEOSA-N 301.361 4.024 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC 302764817 BIZDBNBLWDBGMT-UHFFFAOYSA-N 317.360 4.184 0 40 DIAB C[C@@H](Oc1ccc2ccccc2c1)c1nnc([C@@H]2CCCOC2)o1 521393877 FKWFHJJFNHIRGE-CZUORRHYSA-N 324.380 4.257 0 40 DIAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(O)c1 97620 KWPUKAOGJLDVMH-UHFFFAOYSA-N 322.364 4.169 0 40 DIAB CC1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 411772 PQFYRVWGPJEZFF-UHFFFAOYSA-N 308.425 4.024 0 40 DIAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 421844 KBGCJXMENOSLDS-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB CCOCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1706612 CPZLRDXKLHKMQX-UHFFFAOYSA-N 311.208 4.266 0 40 DIAB CC(=O)c1cccc(NC(=O)CSc2cc(C)ccc2C)c1 3293632 UKSQPLWHRDPJQU-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB C[C@H]1CCCN(C(=O)[C@@H](C)Nc2ccccc2-c2ccccc2)C1 3435359 FAGNHOOULOGNLN-DLBZAZTESA-N 322.452 4.413 0 40 DIAB CCOc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 3482923 VEWBFMFKUAYEDS-UHFFFAOYSA-N 309.365 4.321 0 40 DIAB Cc1nc(C[n+]2c(C)n(-c3ccccc3)c3ccccc32)cs1 4530010 GQMZACBBDDIQKO-UHFFFAOYSA-N 320.441 4.040 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1ncoc1-c1cccs1 5001948 XPOZMRWNSMHJAI-UHFFFAOYSA-N 310.378 4.144 0 40 DIAB Cc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 6510025 NTMRNFMUZQBTNN-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB O=C(c1ccc(-c2ccccc2F)o1)N1CCc2ccccc2C1 9054211 BYRQITBUUMMABY-UHFFFAOYSA-N 321.351 4.284 0 40 DIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccoc1 12520556 PESPKMJWELMGKP-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)NCCC1=CCCCC1 12743965 LMPXIXCRFVNFAP-UHFFFAOYSA-N 310.397 4.270 0 40 DIAB CCC(C)(C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 12982800 CBRQKOSIORCJFE-UHFFFAOYSA-N 317.458 4.104 0 40 DIAB CC(C)c1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1 13878965 BVVQQNXMIIZMRK-UHFFFAOYSA-N 310.426 4.495 0 40 DIAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)cc1 13994521 VAAFLBXWOSYHDH-KRWDZBQOSA-N 313.397 4.190 0 40 DIAB CCOc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 15933858 ZARHIYPZUGNXBI-GOSISDBHSA-N 310.397 4.284 0 40 DIAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 16018133 UTBITNSBAGNQKW-JTQLQIEISA-N 316.813 4.441 0 40 DIAB Cc1nc(C(=O)Nc2ccccc2F)cc2c1[nH]c1ccccc12 18190351 IFPLASXYGCJYMJ-UHFFFAOYSA-N 319.339 4.416 0 40 DIAB COc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 20029717 GXIWDIRMSKMWJI-NSHDSACASA-N 323.314 4.205 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1OC 31095017 RPDVGQGUYFOBOF-CQSZACIVSA-N 316.426 4.298 0 40 DIAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)C(C)(C)C 31406491 KDCAUVVDTOCNRA-ZDUSSCGKSA-N 300.402 4.157 0 40 DIAB Cc1ccc(-c2ccsc2C(=O)NCc2ccccn2)cc1 32819384 YPWIAOVFNDEREY-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccco1 32868988 SPGPPEXTRULQKZ-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB O=C(CSCc1cccs1)Nc1cccc2c1CCCC2 32890967 CMKQLFZRXRQDPZ-UHFFFAOYSA-N 317.479 4.499 0 40 DIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCC1CC1 36391597 GVUQUFRWUSHUPJ-VIFPVBQESA-N 301.217 4.106 0 40 DIAB COc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1Cl 40023903 AIPTUJWXFWXJMO-SECBINFHSA-N 310.806 4.293 0 40 DIAB c1ccc([C@@H]2CN(CCc3ccccn3)Cc3ccccc32)cc1 43661354 MMDZMZHNXDFCIH-QFIPXVFZSA-N 314.432 4.272 0 40 DIAB CCCCO[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 48373937 UQKOTWVFLNVMAO-AWEZNQCLSA-N 305.418 4.152 0 40 DIAB CCCCO[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 48373938 UQKOTWVFLNVMAO-CQSZACIVSA-N 305.418 4.152 0 40 DIAB CCOc1ccc(-c2nc(-c3ccccc3C)n[nH]2)cc1OCC 85385152 KFZKQCWGQZWCDN-UHFFFAOYSA-N 323.396 4.245 0 40 DIAB Oc1nc2c(s1)[C@@H](c1ccco1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 169305539 PGOHYRVPWXTGJJ-MZPHRCEOSA-N 305.424 4.094 0 40 DIAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 216921348 RNVUVEOWERMXGN-UHFFFAOYSA-N 307.136 4.235 0 40 DIAB COc1ccc(C(=O)Nc2ccccc2)cc1COCC(C)C 224446828 HMEULKYKTORDCT-UHFFFAOYSA-N 313.397 4.120 0 40 DIAB CCOc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1C 225447367 CUUIYUGFKGDEKS-UHFFFAOYSA-N 311.425 4.145 0 40 DIAB S=C(NCc1ccc2c(c1)OCO2)c1cccc2ccccc12 408575270 UAPPIUAWULCJQG-UHFFFAOYSA-N 321.401 4.034 0 40 DIAB CCC(=O)Nc1ccc(OCc2c(F)cccc2Cl)cc1 1083102941 YYIDABFATQYWOL-UHFFFAOYSA-N 307.752 4.407 0 40 DIAB O=C(Nc1c(F)cccc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009399 YZZZLRASARBFNA-KBPBESRZSA-N 318.367 4.460 0 40 DIAB COc1ccc(-c2ccc3c(c2)c2c4n3CCN[C@H]4CCC2)cc1 287008 MXEXVQBKSULBLE-IBGZPJMESA-N 318.420 4.298 0 40 DIAB O=C(NCCc1nc(-c2ccccc2)cs1)Nc1ccccc1 1415023 LRGGIPVCDZYKLJ-UHFFFAOYSA-N 323.421 4.174 0 40 DIAB Oc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 1608438 VNEXGCMIYLXLER-UHFFFAOYSA-N 307.136 4.416 0 40 DIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)c(Cl)c1 2515405 JIKPOGKTUAGJKZ-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CC(C)CNC(=O)c1cccc(COc2ccccc2Cl)c1 2750396 OCKVOIBEAWXXMV-UHFFFAOYSA-N 317.816 4.305 0 40 DIAB C[n+]1c(/C=C\c2ccc(O)c3ncccc23)sc2ccccc21 4900199 YVGNOHMFVPDRNY-UHFFFAOYSA-O 319.409 4.150 0 40 DIAB Cc1csc(SCc2cc(Cl)c3c(c2)OCCO3)n1 5319658 SITQMWWAFLIMQX-UHFFFAOYSA-N 313.831 4.168 0 40 DIAB CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 6532368 TWCSKNVCKLRMDR-UHFFFAOYSA-N 308.834 4.277 0 40 DIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1ccccc1Cl 8642185 LSHFLRQQOZHBNO-ZBUTWXCBSA-N 309.752 4.350 0 40 DIAB CC[C@@H]1CCCCN1Cc1c(C)nc2ccc(OC)cc2c1O 8700908 WOCYBRKWOIYLEN-CQSZACIVSA-N 314.429 4.022 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCC2)cc1 10328134 VSFITRUJJSTFAL-UHFFFAOYSA-N 314.816 4.188 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1Cl 14246137 VYFBNKPFPPRDAH-GFCCVEGCSA-N 303.789 4.148 0 40 DIAB O=C(Cc1cccs1)Nc1ccc(-c2nccs2)cc1 14576216 DGUYLAVNKILXBR-UHFFFAOYSA-N 300.408 4.053 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 15593080 KREZXUQVBMTBTB-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CC(=O)OCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 16954972 GPAXMNGNOCBZMH-LLVKDONJSA-N 306.793 4.032 0 40 DIAB CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(OC)c2)cc1 17198426 HVLCZRFIVDZSHB-GOSISDBHSA-N 313.422 4.036 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 19083508 DWSNZJJRBMJQGC-WJFTUGDTSA-N 323.484 4.379 0 40 DIAB C[C@@H]1c2ccsc2CCN1Cc1ccccc1-n1cccn1 19498374 BPDPMQKNXHJSLH-CQSZACIVSA-N 309.438 4.053 0 40 DIAB COc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1Cl 20458766 ZTZCASPNXGXTRO-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB O=c1cc(-c2cccc3ccccc23)nc(Nc2ccccc2)[nH]1 20798234 NFRAOARPQZDWPG-UHFFFAOYSA-N 313.360 4.334 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc(C)c(C)s1 25113052 JTXDZVBCQRQQKA-LBPRGKRZSA-N 303.427 4.207 0 40 DIAB CCOC(=O)c1cccc(Nc2ccnc3ccc(F)cc23)c1 34925926 DENODAOEXFOQRH-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB O=C(NCc1cccc(Br)c1)c1cccc(Cl)c1 42238965 MGVGNKDNNLWVNE-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB Cc1nc(C)c([C@@H](C)NC(=O)c2sccc2C2CC2)s1 49377042 ZJEXVGAHMFDASK-SECBINFHSA-N 306.456 4.190 0 40 DIAB CCOC(=O)c1ccc(-c2csc(-c3ccncc3)n2)cc1 59611989 RKPXYEJZVMJJFL-UHFFFAOYSA-N 310.378 4.049 0 40 DIAB c1csc(-c2cnc(CN3CCC(n4cccc4)CC3)o2)c1 67378636 XHXJAMOTFYMWHW-UHFFFAOYSA-N 313.426 4.042 0 40 DIAB CC(C)[C@@H](NCc1nc(-c2cccs2)no1)c1cccs1 67766328 HNVJVRREAHFAKO-CQSZACIVSA-N 319.455 4.347 0 40 DIAB O=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)cc1Cl 69053034 NJTIICJICSOKMY-UHFFFAOYSA-N 304.752 4.090 0 40 DIAB Cc1ccccc1[C@H]1CCCN1C(=S)NCCc1ccccc1 84235502 UVANOXCVGPCKLV-LJQANCHMSA-N 324.493 4.249 0 40 DIAB Cc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211504806 RJCXDPWPNALAGR-GDNBJRDFSA-N 311.362 4.354 0 40 DIAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1Cl 223223124 VEGZTSPVLBLVLO-UHFFFAOYSA-N 307.821 4.359 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)COc1cccc2c1CCCC2 223235378 SDZNTNMWRCVMLM-INIZCTEOSA-N 323.436 4.130 0 40 DIAB CCc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225659172 WGODNTQMVJBCDG-GOSISDBHSA-N 323.436 4.210 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1 225670814 UJEOLKKXQDICMS-LJQANCHMSA-N 319.445 4.399 0 40 DIAB Cc1ccc(N)cc1-c1ccc(C(=O)N(C)c2ccccc2)o1 226304089 AIDFXQFOMYVTDT-UHFFFAOYSA-N 306.365 4.114 0 40 DIAB O=C(CCC1CCCC1)c1ccc(OCCN2CCCC2)cc1 575358891 IBJUYQUEZNYUBT-UHFFFAOYSA-N 315.457 4.314 0 40 DIAB O=C(N[C@@H]1C[C@H](c2ccccc2)O[C@@H]2CCC[C@@H]12)c1ccccc1 585261175 GVYUQFXTEBMCMM-MTQWCTHYSA-N 321.420 4.115 0 40 DIAB Fc1cccc2sc(N3CCC(C(F)(F)F)CC3)nc12 1888879096 FNTYALUXWDGCGN-UHFFFAOYSA-N 304.312 4.214 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1c(Cl)nsc1Cl 54489 KILJSONHTJSJEF-UHFFFAOYSA-N 307.589 4.356 0 40 DIAB Cc1cc(C)c2nc(NC(=O)CCc3ccccc3)sc2c1 151678 PEKCWJMLYSBIBB-UHFFFAOYSA-N 310.422 4.484 0 40 DIAB Clc1ccc(OCc2cn3ccccc3n2)c2ncccc12 312828 GEGXYBHUAXCZKB-UHFFFAOYSA-N 309.756 4.115 0 40 DIAB Cc1cc(C)cc(C(=O)N2CCN=C2SCc2ccccc2)c1 429397 LIJDYVBBNNMBEA-UHFFFAOYSA-N 324.449 4.049 0 40 DIAB O=C(CC1(Cl)C(F)(F)C(F)(F)C1(F)F)c1ccccc1 1627476 ZRAZGMYSXMCYAL-UHFFFAOYSA-N 316.628 4.157 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc(Cl)cn2)c(C)c1 2622896 LZJVVOCXHIBLMN-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB Cc1ccc(Cl)c2sc(NC(=O)Cc3ccccc3)nc12 2713978 HJWZVUGRQNXMGV-UHFFFAOYSA-N 316.813 4.439 0 40 DIAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)O)cc1 3888174 GSVUCMSCGKUEBU-UHFFFAOYSA-N 306.365 4.108 0 40 DIAB CCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 6325818 KMCXLQFEQLPQNL-RMKNXTFCSA-N 302.182 4.050 0 40 DIAB Cc1ccc2sc(NC(=O)c3cccc(F)c3)nc2c1C 6450470 CUPQXDIMOJXQIA-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB COc1ccc2oc(C(=O)NC3CCC(C)CC3)c(C)c2c1 6551366 YGMJKCKEYAZMQP-UHFFFAOYSA-N 301.386 4.058 0 40 DIAB Cc1ccc(NC(=O)CN[C@H](C)c2ccc(CC(C)C)cc2)cc1 6785497 CFOAZCLJQLEJMF-QGZVFWFLSA-N 324.468 4.483 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 6932547 FVRMEHSSXGOAGY-IINYFYTJSA-N 300.229 4.231 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(C)cc1 7559106 GRLDBMDOAOTXCJ-KRWDZBQOSA-N 314.454 4.441 0 40 DIAB Cc1ccccc1N(CC(=O)c1cccs1)C1=NCCCC1 8415769 GLZGKZBPOMXCBM-UHFFFAOYSA-N 312.438 4.328 0 40 DIAB CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 9733029 QHKVIUVGCBJMCQ-KXBFYZLASA-N 323.436 4.383 0 40 DIAB COc1ccc(CNC(=O)CCc2ccc(C(C)C)cc2)cc1 10329915 QJOFKIRMNJBULS-UHFFFAOYSA-N 311.425 4.068 0 40 DIAB Cc1cc(C(=O)Nc2cccc(C)c2C)c2cnn(C(C)C)c2n1 10808773 FFSLQBNHHNAAKS-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB COc1ccc(NC(C)=O)cc1NCc1cccc2ccccc12 11620581 ZTLNHQOEGHTSPQ-UHFFFAOYSA-N 320.392 4.419 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]2CCCC[C@H]21 12607564 AQLJYTBMJVDHTI-QFBILLFUSA-N 308.425 4.272 0 40 DIAB Cc1ccc(CSCCC(=O)Nc2ccccc2F)cc1 12977930 LHFIJMVEVDPKMP-UHFFFAOYSA-N 303.402 4.396 0 40 DIAB COc1cccc(NC(=O)Nc2ccc(OC)c(Cl)c2)c1 13048944 NIIBGQZPYYMGPH-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB O=c1[nH]c(-c2ccccc2)nc2sc(-c3ccccc3)cc12 13598066 FYIAKKUOSKSDHQ-UHFFFAOYSA-N 304.374 4.319 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1 14013200 XVHBMIFTGKUIHA-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@H](O)CSc1ccccn1 16839869 CYLFCYUGWXBBNM-CABCVRRESA-N 317.454 4.127 0 40 DIAB CC(=O)c1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 18709358 RWOHFXOXQQGTRJ-AWEZNQCLSA-N 313.422 4.150 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 19932054 HYJNNCYEMOXNFJ-CQSZACIVSA-N 307.752 4.275 0 40 DIAB Cc1nc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2s1 20734113 BIBPFGOIKSJYLJ-UHFFFAOYSA-N 307.378 4.338 0 40 DIAB CCOC(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1 20902248 MLSIOFAZTYYZBE-UHFFFAOYSA-N 318.417 4.098 0 40 DIAB CCCCNC(=O)c1cccnc1Sc1cc(C)ccc1C 22506688 GTNANDFIPWCQFJ-UHFFFAOYSA-N 314.454 4.380 0 40 DIAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccc(F)cc1 25061335 XWDUFASLPFRXKA-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB COc1cc(F)ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 25312850 SWJBXEHJHRTMCG-UHFFFAOYSA-N 318.735 4.221 0 40 DIAB COC(=O)c1c(CCCc2ccccc2Cl)cccc1OC 35973507 WRVFHWYNCMGSLK-UHFFFAOYSA-N 318.800 4.311 0 40 DIAB O=C(CCC1CCCC1)Nc1ccc(Oc2ncccn2)cc1 48202690 JGVDFQWCUMFGSL-UHFFFAOYSA-N 311.385 4.178 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1cc2cc(Cl)ccc2[nH]1 48312040 ZFRSMKDKKIVYCQ-INIZCTEOSA-N 310.784 4.239 0 40 DIAB Cc1ccc(F)cc1NC(=S)Nc1ccc2c(c1)CCC2 53515460 DAWHBWAAUUIJLY-UHFFFAOYSA-N 300.402 4.432 0 40 DIAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(C)cc2)C1 72277764 AUXCHQIYKFTVIE-MRXNPFEDSA-N 317.477 4.017 0 40 DIAB C[C@H](NC(=O)N(C1CC1)[C@H](C)c1cccnc1)c1ccccc1 75094246 XXYCWCRVTPWJSS-LSDHHAIUSA-N 309.413 4.078 0 40 DIAB CCc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 75437289 FQTQHNKUPQEJRK-UHFFFAOYSA-N 317.392 4.267 0 40 DIAB Cc1cccc(C[S@@](=O)Cc2cccc(OC(F)F)c2)c1 78555986 XUSQICIFBZLLBF-NRFANRHFSA-N 310.365 4.045 0 40 DIAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1C[C@@H]1c1cccnc1 84374542 CFJGYDBQWLLJKQ-RTBURBONSA-N 322.408 4.145 0 40 DIAB CCCOc1ccc(CSc2nnc(SC)s2)cc1 89960316 KERMHFIVYOATKI-UHFFFAOYSA-N 312.485 4.341 0 40 DIAB CC(C)[C@@H](NC1CCOCC1)c1ccc(C(F)(F)F)cc1 90664411 VONJRMZOFJTJLS-OAHLLOKOSA-N 301.352 4.171 0 40 DIAB FC(F)(F)C(F)(F)SCCNCc1cccc(Cl)c1 95918356 LTIXCBMVDGRTEG-UHFFFAOYSA-N 319.726 4.318 0 40 DIAB CCC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)s2)cc1 96485578 WDCGXGQBNOFSSI-NEPJUHHUSA-N 317.458 4.212 0 40 DIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 222102535 QMCLGDBCODWMRX-XNKWGQMISA-N 316.441 4.060 0 40 DIAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(C)cc1Cl 225001764 JPUNCLGNENVRLV-OAHLLOKOSA-N 322.880 4.033 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 226265654 PNKRWRPJYGHTFG-UHFFFAOYSA-N 323.440 4.245 0 40 DIAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nccs3)C2)cs1 257239475 HPKAWEYCXZMCRV-LBPRGKRZSA-N 320.483 4.348 0 40 DIAB CO[C@H](c1ccccc1)c1nnc(COc2cc(C)ccc2C)o1 521393803 JCISCXXEOOQKCA-GOSISDBHSA-N 324.380 4.001 0 40 DIAB CCOc1ccc(NC(=O)N2CC[C@H](c3ccsc3)C2)cc1 669642881 SNZRLWFHTRBLKG-ZDUSSCGKSA-N 316.426 4.168 0 40 DIAB Cc1ccc(O)c([C@H](CC(=O)N2CCCCC2)c2ccccc2)c1 523749 UTEJXRRDXFTVNU-GOSISDBHSA-N 323.436 4.235 0 40 DIAB Cc1ccc(-n2ncc3c(Nc4ccccc4)ncnc32)c(C)c1 552669 NSGXVUYONRSOBY-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB Clc1ccc(-c2nnc3c4ccccc4ncn23)c(Cl)c1 1396529 CMXOWRQBNSMONV-UHFFFAOYSA-N 315.163 4.251 0 40 DIAB O=S(=O)(c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 1725448 VDIAJAOJFDLKAO-RBUKOAKNSA-N 308.402 4.170 0 40 DIAB c1ccc2c(CSc3nc(-c4ccncc4)n[nH]3)cccc2c1 2628058 PPOMIPWXEHZHBI-UHFFFAOYSA-N 318.405 4.312 0 40 DIAB CC(C)[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@](C)(CO)CCC[C@@]32O)C1 4403826 ZWDCUZKMRDIFAX-XVMXLUHGSA-N 308.506 4.389 0 40 DIAB CCn1cc(NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 5266183 MFCPQKPMACUXQM-UHFFFAOYSA-N 323.352 4.034 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6037034 YWYQTGBBEZQBGO-KPXIBXGJSA-N 320.517 4.387 0 40 DIAB O=C(Cc1cccs1)Nc1nc2ccc(Cl)cc2s1 6331761 KEOKONUCUKZVDD-UHFFFAOYSA-N 308.815 4.192 0 40 DIAB O=C1CCCC[C@@H]1Sc1nnc(Nc2ccccc2F)s1 6474012 DFJPCIGDXVSMRU-LBPRGKRZSA-N 323.418 4.025 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 7264848 IIAQLZOSQFNRPU-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CCc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1 8061460 PSHXEWUKEOQWBK-UHFFFAOYSA-N 305.381 4.061 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)cc1 8085486 PAJDIMPRBYGDGR-MRXNPFEDSA-N 318.417 4.272 0 40 DIAB Cc1ccc(NC(=O)CSCc2ccccc2Cl)c(O)c1 8241626 NLCILEPJZAXPSD-UHFFFAOYSA-N 321.829 4.226 0 40 DIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc2ccccc12 8723139 ROBVGTFLYPJSOU-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB CCCCNC(=O)c1csc(Nc2ccccc2Cl)n1 9846136 ADZKSWGIIOYGIG-UHFFFAOYSA-N 309.822 4.070 0 40 DIAB O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1Cl 11914747 LZCKTDFXSIKYBS-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB Cc1nc2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2[nH]1 12147328 OUTKFCPEDGWOFO-MRXNPFEDSA-N 313.426 4.060 0 40 DIAB Cc1cc(-c2cnc(-c3ccccn3)nc2-c2cccs2)on1 12233240 UIBKEIHLKUPOKT-UHFFFAOYSA-N 320.377 4.231 0 40 DIAB CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 12911652 JZMZNOFEMDPCKX-UHFFFAOYSA-N 320.392 4.029 0 40 DIAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCCC1 12978917 PKTOJLJAUBYJGU-UHFFFAOYSA-N 306.818 4.008 0 40 DIAB CC(C)(C)c1n[nH]cc1CN[C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1 19083514 DWSNZJJRBMJQGC-FCGDIQPGSA-N 323.484 4.379 0 40 DIAB C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 20029693 SZGHWBJVRDUYLD-QMMMGPOBSA-N 313.706 4.248 0 40 DIAB Cc1n[nH]c(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)n1 20427058 OKJRGGRZQKOYKA-UHFFFAOYSA-N 322.290 4.004 0 40 DIAB OC1=Nc2n[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)SC1 20724907 UGPVNWGKWLWVHL-NSHDSACASA-N 314.197 4.141 0 40 DIAB O[C@@H]1O[C@H](c2ccccc2)[C@@H](c2ccccc2)C1(Cl)Cl 22022858 NLYQASMQWRHYBV-RBSFLKMASA-N 309.192 4.034 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)nc2ccccc12 23078808 NDYPMLHZFXPOSI-FZMZJTMJSA-N 302.805 4.197 0 40 DIAB Cc1ccsc1C(=O)N1CCCCC[C@@H]1c1cccn1C 36394333 XXBVQKVFUCUTPX-OAHLLOKOSA-N 302.443 4.153 0 40 DIAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2ccccc2s1 36676016 PJSXDQXPSSEUDY-UHFFFAOYSA-N 323.421 4.025 0 40 DIAB CNC[C@H](C)CN1c2ccccc2Sc2ccc(OC)cc21 38539930 CIDGBRQEYYPJEM-ZDUSSCGKSA-N 314.454 4.153 0 40 DIAB in-vitro Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c(C)c1 40478323 ZEEIFECMWRCICX-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)CC[C@]12C 43722396 DQOPJSFDWXFQLN-SLOHPKBISA-N 304.474 4.061 0 40 DIAB O=C(/C=C/c1ccccn1)NCC1(c2ccccc2)CCCCC1 58367836 NCHFCOOFCFPXCM-OUKQBFOZSA-N 320.436 4.113 0 40 DIAB C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc2c(c1)CCCC2 71922669 PESMVQFOUXTIGP-OAHLLOKOSA-N 311.473 4.368 0 40 DIAB O=C(c1ccc(Br)cc1)c1cccc(F)c1Cl 89064321 GPCMDJHNAFHYOQ-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1Cl 89522680 PWUNQOFRXOOEAP-CQSZACIVSA-N 318.808 4.049 0 40 DIAB O=C(c1ccccc1Cl)c1ccccc1OC(F)(F)F 95917410 HPMJCBWQRXWYKW-UHFFFAOYSA-N 300.663 4.470 0 40 DIAB CCCCCCCCN(CCC(=O)O)C(=O)OC(C)(C)C 97976175 WJFPFUDNLMNYCG-UHFFFAOYSA-N 301.427 4.059 0 40 DIAB FC(F)(F)C(Oc1cccc(Br)c1)C(F)(F)F 98210655 WJUUJPDLAYACPE-UHFFFAOYSA-N 323.030 4.321 0 40 DIAB C[C@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]12 118926672 FHSSMFXPNPSOIA-WVCYWSPPSA-N 304.474 4.205 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223219258 HMMYPVPBJDEJTK-GOEBONIOSA-N 303.446 4.429 0 40 DIAB O=C(OC1CCCCCC1)c1snnc1-c1ccccc1 223831857 ROAIDAFCIPCJOW-UHFFFAOYSA-N 302.399 4.085 0 40 DIAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 224687530 VVQQDAAOBXYVDE-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224700794 PVUSLOSLVLATST-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Cl)cc1 224701160 XXTUKLATLDXNER-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB CCc1ccc(C[C@@H](Sc2ccc(C)cc2)C(=O)O)cc1 225044077 JEVXVBPGTXQDAQ-QGZVFWFLSA-N 300.423 4.345 0 40 DIAB Cc1ccc2oc(Cc3cccc(Br)c3)nc2c1 228946538 UGPCQJMCKXBSHJ-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 260912745 YMEUNSOACZTPFD-WBIUFABUSA-N 312.240 4.231 0 40 DIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccsc1 390826332 IIUKKFMNOCBZFS-CYBMUJFWSA-N 305.449 4.391 0 40 DIAB CC(C)Oc1cccc(NC(=O)CCCOc2ccccc2)c1 408703217 OSUPLGLMLLTBIK-UHFFFAOYSA-N 313.397 4.272 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@]12CCNc1ccccc12 521396108 YDHJCLRDTKNQRI-HXUWFJFHSA-N 322.408 4.130 0 40 DIAB CCCCNCCCCCNc1cc(OC)cc2cccnc12 1684908 UEZUXHLOQXECHD-UHFFFAOYSA-N 315.461 4.215 0 40 DIAB O=C1c2c(ccc3c2CCC3)CC12Cc1cc3c(cc1C2)CCC3 1855386 XUQDJGNODWVLRM-UHFFFAOYSA-N 314.428 4.188 0 40 DIAB CC1CCN(CCCOc2ccc(Cl)cc2Cl)CC1 3247007 KVKZOFRWIKTBCX-UHFFFAOYSA-N 302.245 4.494 0 40 DIAB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 3449475 BLIXBYJKMSRCPI-JTQLQIEISA-N 322.177 4.079 0 40 DIAB c1nc(N2CCCCCC2)c2c3c(sc2n1)CCCCC3 3900348 HTJIAXKKUFWLBT-UHFFFAOYSA-N 301.459 4.341 0 40 DIAB CC(=O)[C@@H]1CC[C@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4040481 NQUQIAYCNLKMTR-HMOFWBTOSA-N 316.441 4.265 0 40 DIAB Cc1ccc(-n2ncc3c(Nc4cccc(F)c4)ncnc32)cc1 4354968 JUDIEHCETJTWIB-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 4656408 BZZPEIJLOJYSQW-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB O=C(NC1CCCC1)c1csc(Nc2ccccc2Cl)n1 4699352 FIMHJZLPHBIKBT-UHFFFAOYSA-N 321.833 4.213 0 40 DIAB COc1cccc(-c2nnc(Nc3ccc(Cl)cc3)o2)c1 4726123 UPDDSAWRPIIVDH-UHFFFAOYSA-N 301.733 4.142 0 40 DIAB Cc1ccc(NC(=O)c2cc3sccc3n2C)cc1Cl 4971129 IGKXQJRSMVMBIS-UHFFFAOYSA-N 304.802 4.454 0 40 DIAB CC1CCN(c2nc3ccccc3nc2N2CCC(C)CC2)CC1 5863993 LQKPFMYVBYADTQ-UHFFFAOYSA-N 324.472 4.102 0 40 DIAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 5996886 ZQQMOWWGLHLIOV-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB Cc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1 6493798 LHXJRPUBIGMCAJ-UHFFFAOYSA-N 308.410 4.347 0 40 DIAB Fc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 7845435 HQTCTJHYQIHSCU-UHFFFAOYSA-N 313.353 4.387 0 40 DIAB O=C(Nc1ccc(Cl)cc1)[C@H]1COc2ccc(Cl)cc2C1 7945777 VUYACMGERYFQNZ-LLVKDONJSA-N 322.191 4.183 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 8479301 CMRRFDPZARHSEU-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 9459865 QGUIPLSIODSXLC-UHFFFAOYSA-N 310.731 4.282 0 40 DIAB COc1cc(SC)ccc1C(=O)N1c2ccccc2C[C@@H]1C 9698649 RMARJLLVPBFLMX-LBPRGKRZSA-N 313.422 4.009 0 40 DIAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)cc2)c1 10166011 IDWDQJSMJWPWSB-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB Clc1ccc(C(OC[C@@H]2CO2)c2ccc(Cl)cc2)cc1 12480261 GKWPFUSVMXXVND-HNNXBMFYSA-N 309.192 4.498 0 40 DIAB in-vitro Cc1ccc2cc(CNc3ccc(C)c(Cl)c3)c(=O)[nH]c2c1 12492408 DYPRNQWMEFRLIT-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCc2ccccc21 12949592 ALPVNEZSRGLDDI-KXDMBUCYSA-N 309.453 4.192 0 40 DIAB Cn1nccc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 12972658 JSMQWTONDHIWDE-CSKARUKUSA-N 301.349 4.399 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 13786503 WFFZSBOOIJQVBY-UHFFFAOYSA-N 304.802 4.352 0 40 DIAB FC(F)(F)c1ccccc1NC(=S)NCc1ccccc1 13791854 MDTAVWKIUGGZQG-UHFFFAOYSA-N 310.344 4.192 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(Cl)c1 14679047 DCTVKTNFXQDJBO-UHFFFAOYSA-N 321.833 4.492 0 40 DIAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1F 23996261 ZIKMJLKVYSJGPD-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB COc1ccccc1-c1nnc(SC)n1C1CCCCC1 24989449 NQHZFAQYAOCWMW-UHFFFAOYSA-N 303.431 4.181 0 40 DIAB CC(C)c1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1 25164611 TXAFUJHZUDUZCE-INIZCTEOSA-N 311.425 4.109 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 36623277 GFGVEQIZRHOBJT-KGLIPLIRSA-N 315.388 4.033 0 40 DIAB O=C(c1c(F)cccc1Cl)N1CC[C@H](c2ccccc2)C1 38567077 KBQZABUCRWIMLU-ZDUSSCGKSA-N 303.764 4.109 0 40 DIAB O=C(NCc1ccsc1)C1c2ccccc2Oc2ccccc21 38586390 MGDNDRYTKKEVFN-UHFFFAOYSA-N 321.401 4.302 0 40 DIAB Clc1snnc1CN1CCC(CCc2ccccc2)CC1 40024260 KLMBRHMRMCCUDP-UHFFFAOYSA-N 321.877 4.036 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)c1csc2c1CCCC2 40111712 RQPOYILSYURLSY-UHFFFAOYSA-N 314.454 4.254 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@@H]1c1ccccc1 47698520 CCUUIGCMOYGPMH-GOSISDBHSA-N 303.365 4.214 0 40 DIAB CC(C)n1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cn1 66673668 VXQWZFPDLVYUMC-UHFFFAOYSA-N 322.412 4.076 0 40 DIAB Cc1[nH]c(=S)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72218416 DEEMAFHVTXJVRI-INIZCTEOSA-N 312.438 4.420 0 40 DIAB Clc1cnccc1NCc1ccccc1CN1CCCCC1 79017613 JLSPYYOEIZPSMZ-UHFFFAOYSA-N 315.848 4.333 0 40 DIAB c1ccc(CCn2c(-c3cscn3)nc3ccccc32)cc1 89832466 OGZAQUSQZIDQEO-UHFFFAOYSA-N 305.406 4.403 0 40 DIAB Cc1ncsc1CN[C@H](C)c1ccc(F)cc1OC(F)F 95421971 LSGQHKOWIFGMCD-MRVPVSSYSA-N 316.348 4.043 0 40 DIAB O=C(NCCC[C@H]1CCCCO1)Nc1cccc(C(F)F)c1 97138246 UFZISNIWQNQBDJ-CQSZACIVSA-N 312.360 4.095 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCSc2ccccc21 107081244 JKWXYSKNWMKQTH-SOUVJXGZSA-N 301.455 4.342 0 40 DIAB Cc1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 216914799 HCFZIWNDKXRFPJ-UHFFFAOYSA-N 305.150 4.440 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224130867 PPXDJSDTMCWXQF-GFCCVEGCSA-N 311.853 4.438 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C 224417868 QGXNENOKYHRWOA-CQSZACIVSA-N 305.462 4.347 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1 225020294 IBGYCAJYJCDUSD-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226309382 VTRFUBAIONDUEZ-UHFFFAOYSA-N 317.801 4.093 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 248379710 NQUQIAYCNLKMTR-VNXBCOTQSA-N 316.441 4.265 0 40 DIAB CCCc1c(NCc2nc(C)c(C)[nH]2)cnn1-c1ccccc1C 576479264 CTYUEFIHFBQWCX-UHFFFAOYSA-N 323.444 4.085 0 40 DIAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)n1 1776002017 YPZIMRIMLUFSBN-STQMWFEESA-N 309.335 4.107 0 40 DIAB O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2ccccc2)CC1 8557 PWLAZOQQFSFBMZ-UHFFFAOYSA-N 318.420 4.263 0 40 DIAB Cc1ccc(-c2nn3c(C)cc(C)nc3c2Br)cc1 295512 ALWZJWFDIWWRIR-UHFFFAOYSA-N 316.202 4.084 0 40 DIAB O=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 2540436 HKXKIYARIGTDNN-UHFFFAOYSA-N 300.663 4.470 0 40 DIAB Cc1cccc(C(=O)Oc2cccc(Br)c2)c1C 3353439 IEPMKSZKHXGDOE-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB Cc1ccc2c(CN3c4ccccc4C[C@H]3C)cc(=O)oc2c1 3390160 LHMOHDCOJBKIFK-CQSZACIVSA-N 305.377 4.053 0 40 DIAB CCOc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 4551686 CPQKUFUETDEURC-UHFFFAOYSA-N 314.772 4.380 0 40 DIAB CSc1cccc(NC(=O)CCOc2ccc(C)cc2)c1 6152593 OGQIPGQBTNMOSS-UHFFFAOYSA-N 301.411 4.125 0 40 DIAB CN(C(=O)c1ccc2snnc2c1)c1ccc2ccccc2c1 6226868 QOZVJCNEYSFGGJ-UHFFFAOYSA-N 319.389 4.121 0 40 DIAB Cc1cc2oc(=O)cc(CN[C@H]3CCCC[C@H]3C)c2cc1Cl 6552424 KFVKPVKLMZZWSZ-BZNIZROVSA-N 319.832 4.423 0 40 DIAB CC[C@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 7782225 VLDZWPBXMHZEEG-HNNXBMFYSA-N 306.409 4.223 0 40 DIAB Cc1nc(Oc2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1 8146717 AYXJMYDQYAATHL-UHFFFAOYSA-N 314.366 4.138 0 40 DIAB C[C@H]1CCCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 8298317 ONPQALJMKAHUAE-AWEZNQCLSA-N 307.393 4.387 0 40 DIAB Cc1cc(Nc2ccc(C(C)C)cc2)nc(-n2nc(C)cc2C)n1 8598668 IIJQFNYQDNGEFS-UHFFFAOYSA-N 321.428 4.455 0 40 DIAB Cc1c(Cc2ccc(Cl)cc2)c(O)nc2nc3ccccc3n12 9110063 OBYBDVYDILEPFV-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB O=C(Nc1cccc2cccnc12)c1c(F)cccc1Cl 9584007 WVOYCGGOWXYUMQ-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CCc1ccc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 10371461 FWSWVRGNESNMCX-UHFFFAOYSA-N 311.469 4.267 0 40 DIAB O=C(Nc1ccc(F)cc1F)N[C@@H]1CCSc2ccccc21 12776920 OJICQIWNDKJESP-CYBMUJFWSA-N 320.364 4.323 0 40 DIAB O=C(c1cnc2ccc3sccc3c2c1)c1ccccc1O 12788469 UMSMDYWLAAIBPW-UHFFFAOYSA-N 305.358 4.386 0 40 DIAB Clc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 13683206 IWJIYGJKEDJPLV-UHFFFAOYSA-N 322.755 4.237 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1C 38833577 GMWZMDJDKHMIGC-LJQANCHMSA-N 322.452 4.154 0 40 DIAB O=C(NCc1ccoc1)c1ccc(-c2ccccc2F)s1 40154531 IURDKDVQWALZLN-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccccc1 44844535 IVDXMZCRBJYYID-IBGZPJMESA-N 311.425 4.119 0 40 DIAB CCCCN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216067 OOEWFAJUYVNFQO-SFHVURJKSA-N 301.478 4.399 0 40 DIAB CC(C)n1cnnc1S[C@@H](C)Cc1nc2ccccc2s1 83594934 GHHAYFJJWSZFKQ-NSHDSACASA-N 318.471 4.192 0 40 DIAB Nc1ccccc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 89262358 DMDRKHAWJVCZDH-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Fc1ccc(Br)cc1N1CCc2ccccc2C1 95915629 BLUJABVZXLTUGM-UHFFFAOYSA-N 306.178 4.151 0 40 DIAB CC12C[C@H]3C[C@H](C1)CC(CNC(=O)c1ccc(F)cc1)(C3)C2 100916500 UFZNEEQLMUNJPZ-CXTCDGGRSA-N 301.405 4.162 0 40 DIAB C[C@H](NC(=O)Nc1ccc(Cl)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 104562404 PYPUEKBHSVPLLO-MRBYEJRBSA-N 310.800 4.425 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@H](C)c1ccc(F)cc1 219742329 AFCAOVPUXAMTDJ-CYBMUJFWSA-N 301.361 4.104 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C 223198361 YLIGPYJHKXESDQ-MRXNPFEDSA-N 323.436 4.048 0 40 DIAB CC(C)(C)SCCNC(=S)Nc1ccc(Cl)cc1 225350074 VALWAOZYYSOHBX-UHFFFAOYSA-N 302.896 4.158 0 40 DIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1 225468886 FMSURDWUBPYFOQ-LLVKDONJSA-N 306.381 4.321 0 40 DIAB CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225637395 LVPQVAXBRZRSHU-LIRRHRJNSA-N 319.445 4.316 0 40 DIAB CN(C(=O)C(F)(F)F)c1ccc(-c2nc3ccccc3o2)cc1 226281118 ZHIFBHYVKWKUNY-UHFFFAOYSA-N 320.270 4.020 0 40 DIAB OCc1cc(-c2cccs2)nc2c(Br)cccc12 685937452 QBHGNMPWQPSWPC-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB O=C(NCCc1ccc(-c2ccco2)s1)Nc1cccs1 2086896820 JYLQXCDXPOXIQX-UHFFFAOYSA-N 318.423 4.434 0 40 DIAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1 111972 HMWAHDQOJIGTMA-UHFFFAOYSA-N 310.349 4.094 0 40 DIAB biogenic CSc1nc(Oc2ccc(F)cc2F)cc(C(F)(F)F)n1 1386980 GCWXXPBVQLDBBO-UHFFFAOYSA-N 322.258 4.288 0 40 DIAB O=c1c2ccc(F)cc2sn1-c1cc(Cl)ccc1Cl 1430597 HLIPVZZPGZFAPZ-UHFFFAOYSA-N 314.168 4.498 0 40 DIAB COc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1OC 2645513 CDTVBMOTWLTSFT-UHFFFAOYSA-N 316.426 4.130 0 40 DIAB O=C(Nc1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 3182124 JVXNTQCPRHMAPS-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB CN(C)c1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 3342104 UGSAMHSSIXUMKZ-UHFFFAOYSA-N 324.207 4.416 0 40 DIAB C[C@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2[C@H](C)c2ccccc21 4044397 KOXAUIJMWHCIOC-XWCIJXRUSA-N 321.376 4.150 0 40 DIAB CCCCC/C(=C\c1ccccc1)[C@@H]1OC[C@H](COCC)O1 4802527 PDGKGFLQMGPRLF-NKKURZJMSA-N 304.430 4.428 0 40 DIAB Cc1ccc2c(CSCc3c(C)noc3C)cc(=O)oc2c1 6787155 WTLHLZFYPFAQRW-UHFFFAOYSA-N 315.394 4.140 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(F)cc1 6850772 OCRKZGGONZOJEW-ZDUSSCGKSA-N 302.418 4.133 0 40 DIAB CCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 7068915 IJPYMMKZDHJRPL-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC1 7963833 WKZHQSABZFGGSJ-UHFFFAOYSA-N 320.417 4.323 0 40 DIAB O=c1c2c(-c3ccc(Cl)cc3)ccnc2[nH]n1-c1ccccc1 9306811 PAONFEZNGLIQMT-UHFFFAOYSA-N 321.767 4.034 0 40 DIAB CC(C)CC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120047 DWLHTLRPHFBSET-UHFFFAOYSA-N 308.381 4.403 0 40 DIAB Cc1ccc([C@@H](NC(=O)COc2cc(C)cc(C)c2)C2CC2)cc1 11234277 UUCKNQYDLVAWPZ-OAQYLSRUSA-N 323.436 4.258 0 40 DIAB Cc1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 11914718 IMWSKFLFWVIYSX-UHFFFAOYSA-N 308.406 4.299 0 40 DIAB O=C(c1ccc(F)cc1)N(Cc1cccs1)c1ccccn1 11915864 DWMUFTDGOMBPJZ-UHFFFAOYSA-N 312.369 4.129 0 40 DIAB Cc1ccc2cc(CNc3ccc(Cl)cc3)c(=O)[nH]c2c1C 12492986 VGQCLSYKIFXAMU-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cn1ccc(NC(=O)c2cc3sc4ccccc4c3s2)n1 12569142 LZYIHWIZNOCANR-UHFFFAOYSA-N 313.407 4.102 0 40 DIAB Cc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 13004725 ZGEGCMNTPUTSGE-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB C[C@H](NC(=O)CCCSc1nc2ccccc2s1)C1CC1 14183965 JMYXMAJJFWKARX-NSHDSACASA-N 320.483 4.083 0 40 DIAB Cc1cccc(OCC(=O)N(C)Cc2ccc3ccccc3c2)c1 18825831 LGOZCKQQCMFMGQ-UHFFFAOYSA-N 319.404 4.186 0 40 DIAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCc2ccccc21 30867601 JKKOWMYCNLNFLY-OAHLLOKOSA-N 309.409 4.167 0 40 DIAB Cc1cccc(-c2nc(CSc3nc(C)cs3)no2)c1 32325838 ULUKLOXVQRYZQM-UHFFFAOYSA-N 303.412 4.102 0 40 DIAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)c1ccncc1 32740847 LQTFLEWYHLVDIC-LBPRGKRZSA-N 323.421 4.005 0 40 DIAB O=C(/C=C/c1sc2ccccc2c1Cl)NCC(F)(F)F 32747876 QQDZNFCJXBXQRF-AATRIKPKSA-N 319.735 4.246 0 40 DIAB COc1cccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)c1 35671976 AZWKZEXJDCXMNX-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB O=Cc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 40447852 KBWGSVJVHNZPDJ-UHFFFAOYSA-N 301.651 4.359 0 40 DIAB C[C@H](c1ccccc1F)N(Cc1nnc(C(C)(C)C)o1)C1CC1 69484619 AMNCFPZGWRTWFY-GFCCVEGCSA-N 317.408 4.232 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(F)cc1 71818599 UNFFFSIBIUNCCJ-GFCCVEGCSA-N 319.401 4.095 0 40 DIAB Cc1ncc(C(=O)N(c2ccc(F)cc2Cl)C(C)C)s1 71911015 WXLNQCIOGMHZQR-UHFFFAOYSA-N 312.797 4.299 0 40 DIAB O=C(Nc1cccnc1Cl)c1ccc(-c2ccccc2F)o1 73474375 BSYCIIMBEHNXJI-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB CC(C)[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCC1 79484172 RLWOTDUWMIPXHH-CYBMUJFWSA-N 309.435 4.126 0 40 DIAB Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)oc1C 107788843 VOZHVYNDYIZRRI-UHFFFAOYSA-N 306.365 4.140 0 40 DIAB Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223157414 DRKXMJGRLHRVMZ-ISBHARSQSA-N 305.421 4.374 0 40 DIAB Cc1ccc(S[C@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225060005 RTUYWBQFVPZDLS-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB CCc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 225364519 PRDHAIBZIHAFPE-UHFFFAOYSA-N 323.392 4.053 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225605377 HDEHEINEICHBDP-GOSISDBHSA-N 307.434 4.255 0 40 DIAB CO[C@@H](CNC(=O)Nc1ccccc1C)c1cc2ccccc2o1 244975012 HXHXUTJGTOLFPD-SFHVURJKSA-N 324.380 4.250 0 40 DIAB Cc1nc(C2CCN(Cc3ccccc3F)CC2)cn2cccc12 2037838573 OYWPZODXFABVSH-UHFFFAOYSA-N 323.415 4.161 0 40 DIAB c1ccc(COc2ccc(NCCc3ccncc3)cc2)cc1 54895 RQDMJSIDKBDPCF-UHFFFAOYSA-N 304.393 4.315 0 40 DIAB Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)C(C)C)cc1C 497478 DCSGVXLLTHTTJT-CYBMUJFWSA-N 305.447 4.037 0 40 DIAB O=C1c2ccsc2SCCN1Cc1cccc(Cl)c1 1403650 XKCYXDSQAKMTPX-UHFFFAOYSA-N 309.843 4.150 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CSC(=O)c1ccccc1 3275394 AGYBXEFZHJDABK-UHFFFAOYSA-N 319.813 4.161 0 40 DIAB C[C@@H](NC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3376098 NPKCKQSBTBEGPW-SNVBAGLBSA-N 315.244 4.243 0 40 DIAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)cs2)c(C)c1 3413776 HJNNYELPYGGSDZ-CYBMUJFWSA-N 320.483 4.496 0 40 DIAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)Sc1ccccc1F 3421737 ODWDGFSQXALBDS-NEPJUHHUSA-N 321.421 4.113 0 40 DIAB O=C(Nc1ccccc1F)c1ccc(C(=O)c2ccccc2)cc1 4078867 OCXMMUQBABDNMK-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1ccco1 6747332 OLBGUPSFDFYJTC-UHFFFAOYSA-N 315.756 4.369 0 40 DIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccccc1 8131640 VAJNHUFVCIIFBD-CQSZACIVSA-N 324.449 4.449 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)Nc1c(F)cccc1F 8493949 UPVZHXIANJXYGP-UHFFFAOYSA-N 319.351 4.280 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 12526516 SGZWAYKETLHZDB-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 17312170 QZPGVFRDAIWANC-MVXZHEMTSA-N 318.457 4.140 0 40 DIAB CCCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 19736107 FLHWDUOYSZNQSP-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCC2 19776231 OMFQKLVWOFFERI-UHFFFAOYSA-N 312.221 4.357 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1 20039119 NPFUHYCRVJUTRL-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)cc1 20459621 WKEVBTBTWQYWRY-MRXNPFEDSA-N 313.466 4.496 0 40 DIAB COCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 26031650 DEZVXOTZYRALJA-UHFFFAOYSA-N 310.180 4.392 0 40 DIAB CC[C@H](C(=O)Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1 28252579 GSPVGRLMYQFGJO-ZDUSSCGKSA-N 311.410 4.271 0 40 DIAB COC(=O)c1cc(CSc2nc3ccccc3s2)cs1 36612097 DIHSYWNKPDGETN-UHFFFAOYSA-N 321.448 4.437 0 40 DIAB CSc1cccc2sc(NC(=O)c3cc(C)oc3C)nc12 36679020 QHZIZKYCUREBTI-UHFFFAOYSA-N 318.423 4.480 0 40 DIAB COc1ccc(C(C)=O)c(OCc2csc(C(C)(C)C)n2)c1 40152841 ARCCRHJODOZPMQ-UHFFFAOYSA-N 319.426 4.231 0 40 DIAB CC(C)c1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 45920370 QNMQRVXEVVIDRX-UHFFFAOYSA-N 304.353 4.199 0 40 DIAB CC[C@H](C(=O)NCCSCc1ccsc1)c1ccccc1 48356350 VPGUOSIQDJNFCW-INIZCTEOSA-N 319.495 4.291 0 40 DIAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1 62576092 QJAKKYQVFABROR-UHFFFAOYSA-N 321.380 4.014 0 40 DIAB O=C(Cc1noc2ccccc12)N(C1CCCC1)C1CCCC1 63442680 UHJXNZYHLKAEIB-UHFFFAOYSA-N 312.413 4.084 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccc(F)c(C)c1 71326118 OTMFUHAITQNUEP-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CCC(C)(C)NC(=O)Nc1ccc(Br)cc1Cl 72304679 JMKUGGSQZYJDEZ-UHFFFAOYSA-N 319.630 4.413 0 40 DIAB NC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 73635296 OSTOWHWEMHQVHU-UHFFFAOYSA-N 323.204 4.369 0 40 DIAB CN1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 77286467 WFLOLUGQOGHZRL-UHFFFAOYSA-N 324.855 4.361 0 40 DIAB in-vitro O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 89866553 RLRNPHISVAQKAJ-QBFSEMIESA-N 317.344 4.125 0 40 DIAB CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H]2c2ccc[nH]2)c1C 95350737 TXUWQXBBBXRWSF-LJQANCHMSA-N 310.441 4.480 0 40 DIAB Cc1cccnc1NC(=O)c1ccc2c(c1)C1(CCCCC1)CN2 96268164 SZSHEYWBMDCKFB-UHFFFAOYSA-N 321.424 4.270 0 40 DIAB O=C(CN1CCCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100987013 MAVXRPCYLZJUGF-HTAFUYNTSA-N 323.480 4.190 0 40 DIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(Cl)cc1Cl 102308505 SWDQGWBPLALUND-GMXVVIOVSA-N 312.240 4.436 0 40 DIAB C[C@H](CC(=O)c1ccc(N2CCOCC2)cc1)CC(C)(C)C 203333223 DXSLIKXVROYTOU-OAHLLOKOSA-N 303.446 4.168 0 40 DIAB CCOc1cccc(NC(=S)NC2(C3CC3)CCCC2)c1 225862495 MJMGTXUZIYNGFV-UHFFFAOYSA-N 304.459 4.095 0 40 DIAB CC(C)Oc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cn1 225942408 LNJKSAWLDRJROD-UHFFFAOYSA-N 312.413 4.076 0 40 DIAB C[C@H](O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 226273098 RDGMIEKCSBRNQM-VIFPVBQESA-N 310.180 4.299 0 40 DIAB O=C(NC1(c2cccs2)CCCC1)c1ccc(F)c(F)c1 390827362 GNZQURXGLFDRRZ-UHFFFAOYSA-N 307.365 4.226 0 40 DIAB Cc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1 408531706 WXZZJNPFLGVDHP-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB CC1(C)C[C@@H](NC(=O)c2cscc2-c2ccccc2)CCO1 558553671 SPEKTWSOPXULDB-AWEZNQCLSA-N 315.438 4.103 0 40 DIAB C[C@@H](Cc1ccc(O)cc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 564144479 SDVZTRRLDBYRNX-VBKZILBWSA-N 320.436 4.472 0 40 DIAB CSc1ccccc1C(=O)NCC(C)(C)c1ccsc1 1565519185 DBOFXZRZLPSBBI-UHFFFAOYSA-N 305.468 4.178 0 40 DIAB Brc1ccccc1-c1nnc2ccc3ccccc3n12 52654 HLPYXRGFJPDEEC-UHFFFAOYSA-N 324.181 4.312 0 40 DIAB CCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1 194895 AFKHNCBYFXVUMY-UHFFFAOYSA-N 301.411 4.278 0 40 DIAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 247046 MCCXVGYSWHWHDK-AWEZNQCLSA-N 317.454 4.024 0 40 DIAB CC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267989 MADSTIMKHBTMDS-KUHUBIRLSA-N 323.392 4.038 0 40 DIAB COc1cccc(CSc2nnc(-c3ccc(F)cc3)o2)c1 415884 NEFMVTBWHHAFLN-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1 2764476 QBWJGSRSFWUICQ-UHFFFAOYSA-N 320.392 4.250 0 40 DIAB CSc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 3538412 ZYJVMEWMCLOABO-UHFFFAOYSA-N 310.422 4.461 0 40 DIAB CC(=O)Nc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1 5726289 HSYYYNWGRYHCCO-UHFFFAOYSA-N 319.817 4.107 0 40 DIAB O=C(OCc1ccccc1)c1c2c(nc3ccccc13)CCC2 5984953 DZSJXIXHQYLQPE-UHFFFAOYSA-N 303.361 4.081 0 40 DIAB CSc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1 6085553 LRANEEDYCQWLBN-UHFFFAOYSA-N 311.406 4.427 0 40 DIAB Brc1cccc(-c2cn3nc(C4CC4)sc3n2)c1 6748252 CBARMVCYVDHCKA-UHFFFAOYSA-N 320.215 4.098 0 40 DIAB CCSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 6784303 SQNYPCUCNAXIMB-UHFFFAOYSA-N 310.422 4.115 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC 8041378 VDANWJOPFAPTEP-MRXNPFEDSA-N 313.397 4.054 0 40 DIAB CC1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 8690848 OWIQBTYOKMMGRE-UHFFFAOYSA-N 316.442 4.430 0 40 DIAB Cc1ccc(-n2ncc3c(Nc4cccc(C)c4)ncnc32)cc1 8817583 OLCBTYLDFLSDRO-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB CC1(C)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2O1 10542952 SJZYHKVSCFPKCR-HNNXBMFYSA-N 315.800 4.372 0 40 DIAB Clc1cccc(-c2nnc(-c3cncn3-c3ccccc3)o2)c1 12548077 ZXELXCOXDITSFM-UHFFFAOYSA-N 322.755 4.243 0 40 DIAB CC(C)C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1 12730527 OEYZXKUCFXBSMT-KRWDZBQOSA-N 307.397 4.080 0 40 DIAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3)cc2)cs1 12879468 IFJQBQSFPXBCOO-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB CCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12942155 PSQLIDMKCJJIDF-UHFFFAOYSA-N 322.360 4.335 0 40 DIAB CC[C@@H](C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12 13127704 NVUNWZYFZHBYIH-GFCCVEGCSA-N 323.396 4.221 0 40 DIAB C[C@@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)O 19723483 GABFCYXGNGRLDU-XUXNNNHQSA-N 300.398 4.006 0 40 DIAB CCCCCNC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246021 VOLQLUYJHHCZPT-UHFFFAOYSA-N 321.421 4.254 0 40 DIAB Cc1c(C(=O)Nc2cccc(-c3nnco3)c2)oc2ccccc12 24737027 WIWFCLPXLSIOBX-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(C2CC2)on1 26652652 FHVFEOVVRLNTGA-UHFFFAOYSA-N 318.376 4.395 0 40 DIAB O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1 27662183 XTAPQZFLISAXMB-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CSc1ncc(Cl)c(C(=O)Sc2ccc(C)cc2)n1 27994810 KNDBDZGRZGHHED-UHFFFAOYSA-N 310.831 4.093 0 40 DIAB CSc1ccc([C@@H](C)NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 31693495 PQJMMSMHDJIGSC-NOZJJQNGSA-N 318.269 4.170 0 40 DIAB CC(C)CNC(=O)Nc1cccc(CSc2ccccn2)c1 58324443 OMYOKWBANNYIDB-UHFFFAOYSA-N 315.442 4.151 0 40 DIAB COCc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 58431543 MWHPEDSWIYVBAH-UONOGXRCSA-N 315.335 4.140 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1Cl 72211534 CXGKPDVNRXGAAW-HNNXBMFYSA-N 300.789 4.102 0 40 DIAB CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357576 BWDMQZFCPYGPTO-GOSISDBHSA-N 314.816 4.009 0 40 DIAB CC(C)c1noc(CNc2ccccc2N2CCCCCC2)n1 79157198 IPRAHLOBCDGWMB-UHFFFAOYSA-N 314.433 4.186 0 40 DIAB Cc1nc2c(OCc3ccccc3)cc(Br)cc2[nH]1 90548871 ONDQRDYJQDWXIJ-UHFFFAOYSA-N 317.186 4.213 0 40 DIAB Cc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)c1C 95916788 MLWCRNNHKGXWCI-UHFFFAOYSA-N 300.226 4.230 0 40 DIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COc2ccc(Cl)cc2)C1 100627951 UCCJILGZCPQSDC-KDOFPFPSSA-N 321.848 4.146 0 40 DIAB CCN(C(=O)c1ccc2c(c1)nc(C(F)F)n2C)[C@@H](C)C(C)C 252507863 WVKABUAWWDHSOG-NSHDSACASA-N 323.387 4.018 0 40 DIAB Cc1nnc(SCc2cncc(F)c2)n1[C@H]1CCC[C@H](C)C1 330031552 ADTMGPGLWBRDHC-NHYWBVRUSA-N 320.437 4.164 0 40 DIAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 585100303 JVUXNZYQENGYRY-YLJYHZDGSA-N 320.521 4.212 0 40 DIAB CCOC(=O)c1nc2ccc(Cl)cc2c(Cl)c1Cl 685937134 LMTWGVNTUMCRQQ-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)C(=S)NC2CCCCC2)cc1 31508 HHBJRKJBEOCRLS-CYBMUJFWSA-N 318.486 4.388 0 40 DIAB CC[C@@H]1CCCCN1Cn1nc(-c2ccc(C)cc2)oc1=S 77983 VXVOEUPGWSDEKZ-OAHLLOKOSA-N 317.458 4.403 0 40 DIAB COc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1 317967 SSTCHTLFFVJUGP-UHFFFAOYSA-N 320.396 4.149 0 40 DIAB Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1C 508811 TUOLDCNEGUTRAB-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c(C)c1 570454 YGMCDJJAKRFKEQ-UHFFFAOYSA-N 312.438 4.047 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2nc3ccc(F)cc3s2)c1 1267197 RFDAWEYRFAPECA-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CCN(C(=O)C1CCC1)c1nnc(-c2ccc(Cl)cc2)s1 1356460 KOILGZJIUQZJQH-UHFFFAOYSA-N 321.833 4.012 0 40 DIAB CC(=O)Nc1ccc2c(c1)-c1ccc(NC(C)=O)c3cccc-2c13 2059788 IWAOFYQSLXUQQG-UHFFFAOYSA-N 316.360 4.404 0 40 DIAB Cc1ccccc1OS(=O)(=O)c1ccc(C(C)(C)C)cc1 2069677 ROYHCMPQMCLBCN-UHFFFAOYSA-N 304.411 4.060 0 40 DIAB c1ccc(-c2nc(CSc3nnc4ccccn34)cs2)cc1 3182887 KMHIJJGNNLQJQD-UHFFFAOYSA-N 324.434 4.145 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc3ccccc3s2)c1 3524139 CHOFSJIPBMTQIY-LBPRGKRZSA-N 312.394 4.011 0 40 DIAB O=c1c2oc3ccccc3c2[nH]c(=S)n1CCc1ccccc1 4370972 RAPRESSMAUTGPW-UHFFFAOYSA-N 322.389 4.048 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2nc3c(C)cccc3s2)cc1 5617603 VGLHUYKBOQIAKS-DHZHZOJOSA-N 324.405 4.265 0 40 DIAB O=C(/C=C/c1nc2ccccc2s1)OCc1ccccc1F 7432735 QFHOMNRVLGEXGU-MDZDMXLPSA-N 313.353 4.192 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(CN[C@H](C)CC)o2)cc1 7520094 ONILNRBPZXCBKZ-CYBMUJFWSA-N 301.386 4.011 0 40 DIAB Cc1nc2c(Cl)cccc2c(O)c1CN1CCCC[C@@H]1C 8700850 HHZMRPYWQIYNQQ-NSHDSACASA-N 304.821 4.277 0 40 DIAB Cc1ccc(Nc2nnc(SCc3ccccn3)s2)cc1 9368096 PKJYLYITDCJNRJ-UHFFFAOYSA-N 314.439 4.277 0 40 DIAB COc1ccccc1NC(=O)Cc1coc2cc(C)c(C)cc12 9502644 AJSFHPUVFWQVQR-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB O=C(NCCc1c[nH]c2ccccc12)NC1CCCCCCC1 9534435 IPFCKHFMGQRDJD-UHFFFAOYSA-N 313.445 4.123 0 40 DIAB c1ccc(-n2cnnc2SCc2cccc3cccnc23)cc1 11222893 UUEYLSQMPSDUIV-UHFFFAOYSA-N 318.405 4.108 0 40 DIAB Cc1ccccc1COc1ccc(C(=O)O)cc1Br 11896476 SBBYVZNWUGAQEK-UHFFFAOYSA-N 321.170 4.035 0 40 DIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ncccc1C 12537089 PWNFYQNYXKTIPZ-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB O=C(CNc1cccc2ccccc12)Nc1cc(F)ccc1F 12542132 ATUMHQQLCRQIDC-UHFFFAOYSA-N 312.319 4.169 0 40 DIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1F 12757376 QEIYBZPXXJFBPZ-CYBMUJFWSA-N 310.372 4.117 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1F 12799786 OFIOOAQZVHOXJZ-MRXNPFEDSA-N 321.754 4.499 0 40 DIAB CN(C[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 12946762 HNFBZQUIHQKOBZ-OAQYLSRUSA-N 317.432 4.441 0 40 DIAB CCOc1ccccc1NC(=O)CCOc1ccc(C)c(C)c1 13012524 QPHKVUQNBPHFKQ-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Cc1ccc(Cl)c(OC(=O)c2cc(C)nc3onc(C)c23)c1 14234296 PIOLBNNSNDDORO-UHFFFAOYSA-N 316.744 4.021 0 40 DIAB CN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1Cl 15249196 KLYAMDBUBSSJDR-AWEZNQCLSA-N 307.180 4.190 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2cc(C)sc2C)cc1 24769459 UGQQSGFMOJYSKG-UHFFFAOYSA-N 302.443 4.463 0 40 DIAB Cc1cc(C)cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c1 25462040 IGFKUANSXFQQBM-LJQANCHMSA-N 310.441 4.399 0 40 DIAB CN(C(=S)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 53520316 KWPDYDDMPNMRSU-UHFFFAOYSA-N 300.402 4.148 0 40 DIAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1C[C@H](C)C[C@@H](C)C1 58019558 AXCDKTZXGSMHMO-UPJWGTAASA-N 319.836 4.429 0 40 DIAB CCn1ncc2ccc(NC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)cc21 58418736 VDYHTKDZACTYFE-RDJZCZTQSA-N 311.429 4.233 0 40 DIAB Cc1ccc(NC(=O)c2ccc[nH]2)c(OCc2ccccc2)c1 58427077 AHQJSERYQJOXKB-UHFFFAOYSA-N 306.365 4.154 0 40 DIAB C[C@H](CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1 70647040 FMMCXLPEVLXNQJ-GOSISDBHSA-N 309.453 4.187 0 40 DIAB in-man CC(C)Nc1c(Cl)cccc1NCc1nnsc1Cl 96461919 BMERDGOHUPGJIC-UHFFFAOYSA-N 317.245 4.277 0 40 DIAB Cc1nc(-c2ccccc2NC(=O)/C=C/c2cccnc2)cs1 208008942 KMSSFUHNZPEPSO-CMDGGOBGSA-N 321.405 4.165 0 40 DIAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(F)cc2)c1 223141966 YGXCLISKESIZRB-XYOKQWHBSA-N 311.400 4.280 0 40 DIAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 224707019 FXPFWRSQBURDDW-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB CCc1cccc2c(C=O)cn(CCOc3ccc(C)cc3)c12 409198460 AVWVDQBQFJGRJN-UHFFFAOYSA-N 307.393 4.404 0 40 DIAB CCOC(=O)c1cc2cc(Br)ccc2n1CC(C)C 585672011 MZELWWCSBYLXAG-UHFFFAOYSA-N 324.218 4.237 0 40 DIAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(C)C)ccc12 247542 LTQARGCBZHMPLI-UHFFFAOYSA-N 308.377 4.479 0 40 DIAB CC(C)(C)c1csc(NC(=O)COc2ccccc2Cl)n1 355225 UJTMIJRGLQTYKS-UHFFFAOYSA-N 324.833 4.112 0 40 DIAB CCOc1cc(C=O)cc(Cl)c1OCc1ccc(C)cc1 565995 NJXAFMMJJSJRLF-UHFFFAOYSA-N 304.773 4.439 0 40 DIAB CCCN(CCC)c1nc2ccc(NC(=O)OCC)cc2s1 1849731 PLORBASQAAYDOE-UHFFFAOYSA-N 321.446 4.491 0 40 DIAB COc1ccc(CNC(=O)c2cc(SC)ccc2Cl)cc1 3297293 LJELUQZTEOENIL-UHFFFAOYSA-N 321.829 4.001 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 3597870 UMTQPPJBYSKVCE-UHFFFAOYSA-N 309.337 4.262 0 40 DIAB CCCCCCC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 4178908 FTQIVBVVZJIIDQ-UHFFFAOYSA-N 321.421 4.177 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2ccc(C)cc2Cl)c1 5637309 MHUSKPWCJRAYIN-VQHVLOKHSA-N 301.773 4.309 0 40 DIAB O=c1[nH]c2ccccc2n1CCCSc1ccc(Cl)cc1 5776684 MKFTWSDNUWQIQP-UHFFFAOYSA-N 318.829 4.165 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 6030258 YWYQTGBBEZQBGO-HUTKLZKUSA-N 320.517 4.387 0 40 DIAB Cc1nc(-c2cccs2)sc1C(=O)NC1CCCCC1 6788994 RGAUKCWNCFNZGR-UHFFFAOYSA-N 306.456 4.243 0 40 DIAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2C)c(Cl)c1 7845308 HXLAERODDNPJNG-UHFFFAOYSA-N 316.832 4.027 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)Nc1nc2ccccc2s1 9962281 BLSUOFPOIULSTA-LBPRGKRZSA-N 311.410 4.487 0 40 DIAB Cc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1 11914938 PEXUMRHFJDMBGJ-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1ccc(O)c2ccccc12 12866287 XKGDCHRCIVUQQE-UHFFFAOYSA-N 309.340 4.256 0 40 DIAB Brc1ccccc1CN1C=C[C@@H](c2ccccc2)O1 12959706 UQURVZFEZRYKFY-INIZCTEOSA-N 316.198 4.451 0 40 DIAB COc1c(C)cccc1C(=O)Nc1cccc(Br)c1 14258230 QJROUFQRBAHDFR-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB CC[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 21705670 HEVSGXACPLJNIY-QGZVFWFLSA-N 307.437 4.028 0 40 DIAB Cc1nccc(-c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 24646312 ZLBRGZBYUOAETA-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1sccc1-n1cccc1 25153135 YCYTYGFXNYPKAB-UHFFFAOYSA-N 302.786 4.445 0 40 DIAB CC[C@H]1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 27154494 RJZDPBFETKXVQE-LBPRGKRZSA-N 302.805 4.150 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)cc1 30854088 NVGFPRNIQYTRPC-HNNXBMFYSA-N 319.788 4.145 0 40 DIAB O=C(O)c1cc(Cl)nc2c(Br)cc(Cl)cc12 62152208 XBGFYAFNUKMNDJ-UHFFFAOYSA-N 320.957 4.002 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(O)cc1 62715120 HJTZULRGGKBSKV-KRXBUXKQSA-N 308.164 4.351 0 40 DIAB CC[C@@H](O)CCCNC(=O)c1sccc1-c1ccc(C)cc1 72306626 LSJBMGHPJNTGPA-OAHLLOKOSA-N 317.454 4.004 0 40 DIAB Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2nc1C 74818898 PJMOONOJDRWENS-UHFFFAOYSA-N 311.772 4.152 0 40 DIAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2C)c1 85430323 ZWXYPZZKZRLXHA-QGZVFWFLSA-N 320.392 4.137 0 40 DIAB CCOc1cc(CO)c(Cl)cc1OCc1cccc(C)c1 95095059 OVQLHOQAUHQILM-UHFFFAOYSA-N 306.789 4.118 0 40 DIAB Cc1nc(C2=C(O)CN(c3ccccc3Cl)C2=N)sc1C 102731959 HNCQLUZLDZBNOJ-UHFFFAOYSA-N 319.817 4.180 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(F)c1 113955101 LLGTXPSWWLCSGH-OAHLLOKOSA-N 305.324 4.069 0 40 DIAB O=C(Cc1ccc(F)cc1)NCCCc1cccc2ccccc12 223189259 HLNCSZGJJJETRC-UHFFFAOYSA-N 321.395 4.270 0 40 DIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C)c1 225704230 MBZHSKRWHQHOJO-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CCN(C(=O)c1ccnc(OC2CCCC2)c1)c1ccccc1C 252478169 AFCFHFBFRPWHAU-UHFFFAOYSA-N 324.424 4.378 0 40 DIAB c1ccc(-c2ccccc2OCc2nnc([C@@H]3CCCO3)o2)cc1 583652306 JKRMGUPNFITAFU-KRWDZBQOSA-N 322.364 4.167 0 40 DIAB C[C@H]1CCCN(c2cc(C(F)(F)F)c3cccc(O)c3n2)C1 685938623 XSAIPUVASWHSQL-JTQLQIEISA-N 310.319 4.196 0 40 DIAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccco1 560659 HAYJHLBKOMOFKQ-UHFFFAOYSA-N 305.790 4.021 0 40 DIAB O=C(Nc1ccccc1F)C(F)(F)Oc1ccc(Cl)cc1 1393158 QQWZZHYHPBWXOO-UHFFFAOYSA-N 315.678 4.089 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2cc(C)cc(C)c2)c1 2517690 RXSHIOVBBTVWGQ-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB O=C(Nc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 4106371 CIJXLFIHAWRBFW-UHFFFAOYSA-N 300.667 4.006 0 40 DIAB CCCCNc1ccc2c3c(cccc13)C(=O)N(CCCC)C2=O 4344110 DXWHZJXKTHGHQF-UHFFFAOYSA-N 324.424 4.448 0 40 DIAB C[C@H](Nc1ncnc2sccc12)c1ccc(-n2ccnc2)cc1 5265224 YLNDAAYBAFAVRY-LBPRGKRZSA-N 321.409 4.050 0 40 DIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCc1ccccc1 5559659 XYJWKGYIAGVRAV-UHFFFAOYSA-N 318.420 4.160 0 40 DIAB C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 6788372 RFZWWDVCAWAFEE-LBPRGKRZSA-N 313.788 4.241 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2cc(C)ccc2F)c1 6965493 KZXARKZOBFSESG-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB O=C(/C=C/c1cccs1)N[C@H]1CCSc2ccccc21 7784001 BDWBQVUKDUDBMM-NPQIQWPPSA-N 301.436 4.115 0 40 DIAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccco1 8359977 OUUPKYPYABANAW-OAHLLOKOSA-N 321.376 4.203 0 40 DIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1cccc(Cl)c1 10081379 UCSYYHMFGBIWBT-GFCCVEGCSA-N 310.784 4.379 0 40 DIAB CC(=O)OCCCC[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 12658031 RTYPTTJEBODVCN-HCXYKTFWSA-N 306.446 4.404 0 40 DIAB biogenic CCCOc1ccc(C(=O)NC2CCCCCCC2)cc1OC 12680189 HCGZGWRLJQYRGB-UHFFFAOYSA-N 319.445 4.327 0 40 DIAB CCCCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 13953736 AJMSNXOAYHWZNX-UHFFFAOYSA-N 318.417 4.098 0 40 DIAB COc1cc2ccccc2cc1C(=O)NC[C@H](C)c1ccccc1 15744991 PXKJQAGUYGBSTP-HNNXBMFYSA-N 319.404 4.382 0 40 DIAB Brc1cccc(CN[C@H]2CCCc3occc32)c1 20203861 PEKQIFRKJOCMEX-AWEZNQCLSA-N 306.203 4.209 0 40 DIAB O=C(O)c1cccnc1Nc1ccc(Cl)cc1C(F)(F)F 21033744 OCZBWAODBVDPDA-UHFFFAOYSA-N 316.666 4.196 0 40 DIAB CCCC(=O)Nc1ccc2oc(-c3cccc(OC)c3)nc2c1 21579171 FSBHXGWZQUQVIZ-UHFFFAOYSA-N 310.353 4.242 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1C 22540230 RFGRIBUYKCYGDB-CYBMUJFWSA-N 303.352 4.381 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)s1 22815377 DUCXCSZCZMXNFA-CQSZACIVSA-N 306.818 4.378 0 40 DIAB Cc1cc(Br)c2oc(Cc3ccccc3)nc2c1 41569767 YGMFOJVGJIZXIJ-UHFFFAOYSA-N 302.171 4.490 0 40 DIAB O=C(c1cccc(Br)c1)c1ccc(F)c(Cl)c1 43210028 ASHOVAKBDGRJMF-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 51354475 YREMDYSQZYMZQG-UHFFFAOYSA-N 304.733 4.021 0 40 DIAB CCc1cccc2c(-c3csc(-c4cnccn4)n3)c[nH]c12 58009374 QZWTUXSFQWTBEI-UHFFFAOYSA-N 306.394 4.311 0 40 DIAB Cc1ccc(-c2c(N3CCCCC3)c(=O)[nH]c3ccccc23)cc1 69382982 NPVZMZQXKPEMLG-UHFFFAOYSA-N 318.420 4.494 0 40 DIAB Cc1nccn1-c1cccc([C@H]2CCCN(C3CCCCC3)C2)n1 72379142 UCFWEJOCIUJCGZ-KRWDZBQOSA-N 324.472 4.088 0 40 DIAB CCO[C@@H](C)c1noc(CNc2ccc3c4c(cccc24)CC3)n1 76700369 GVDUEYIERKSBQS-LBPRGKRZSA-N 323.396 4.031 0 40 DIAB CSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1C 77182267 NHWMHGOHWRWDKP-LLVKDONJSA-N 300.855 4.254 0 40 DIAB C[C@H]1C[C@@H](C(=O)OCc2ccc(Cl)s2)c2ccccc2N1 78999761 WAFOQERJYNGVML-GXFFZTMASA-N 321.829 4.433 0 40 DIAB C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccncc1 79092675 YWWUDDPRKZOTSE-LLVKDONJSA-N 324.302 4.113 0 40 DIAB COC[C@@H](C)c1nc(-c2sccc2Br)cs1 95957898 QGLIIHFVBQWTFJ-SSDOTTSWSA-N 318.261 4.384 0 40 DIAB COc1ccc([C@@H](C)[C@@H](C)NC2CC(C)(C)NC(C)(C)C2)cc1 97016415 BJXOPMOBERCBCH-LSDHHAIUSA-N 318.505 4.086 0 40 DIAB O=Cc1cc(C(F)(F)F)c(Br)cc1C(F)(F)F 199786261 PAQQTFWNJIAJEM-UHFFFAOYSA-N 321.014 4.299 0 40 DIAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 216921387 COGSCUNYGPHSLK-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB CCOc1cccc(CNC(=S)Nc2ccc(Cl)cc2)c1 225438394 UXBFDOVPTOPFQP-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Cl)c1 580242065 KKDRITPEANPIPC-UHFFFAOYSA-N 317.816 4.186 0 40 DIAB C[C@H]1CC(CNC(=O)NCc2cccc(Cl)c2)C[C@H](C)C1 1563439759 GIBZLHIZKDMTEM-CHWSQXEVSA-N 308.853 4.212 0 40 DIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(C(C)C)cc1 159960 YXQMTHXVRQXDII-MDZDMXLPSA-N 317.820 4.157 0 40 DIAB Cc1ccc(-c2nnc3sc(-c4ccc(C)cc4C)nn23)cc1 385043 GGGINRONEOUMAZ-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB Cc1cccc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 1732126 IMXJNKKGGAUCPY-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB Cc1ccc(COC(=O)c2ccc(Br)cc2)cc1 1787440 XOAHQBAZFGUQFQ-UHFFFAOYSA-N 305.171 4.115 0 40 DIAB Cc1nc(-c2cccc(NC(=O)Cc3ccccc3)c2)cs1 2647501 GPRWCDJTOBFOKU-UHFFFAOYSA-N 308.406 4.300 0 40 DIAB Cc1ccc(C)c(NC(=S)NCc2ccccc2Cl)c1 2783469 BGQRKEQFKBCTOB-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB CC1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 3231810 XWNWJAKLZXHSAE-UHFFFAOYSA-N 303.258 4.422 0 40 DIAB Cc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 3608957 FFIVKGKUVRZZTJ-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN(C)C1CCCCC1 4264062 FCQJRYIQFHLBRG-WMZOPIPTSA-N 319.489 4.204 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)COc1c(C)cccc1C 5815637 XIYLVYQQFGXDMA-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB C[C@]12Nc3c(Cl)cc(Cl)cc3N1C(=O)c1ccccc12 6006888 VRVNISVHUKVGOE-HNNXBMFYSA-N 305.164 4.252 0 40 DIAB CC[C@@H](C)NC(=O)c1cccnc1Sc1ccccc1Cl 6085068 PWHONYIRIVAKOT-LLVKDONJSA-N 320.845 4.415 0 40 DIAB C1=NN2C(SCCOc3ccccc3)=Nc3ccccc3[C@@H]2C1 6786427 OOTIECBUYBDROQ-KRWDZBQOSA-N 323.421 4.233 0 40 DIAB CC(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc12 6963003 VWJKYPLNTOHWPK-UHFFFAOYSA-N 320.392 4.099 0 40 DIAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccccc1 7235669 HRKKAQCQOMNXCC-GFCCVEGCSA-N 313.401 4.475 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 7778295 XDKQGYGSZARVMI-UHFFFAOYSA-N 315.394 4.350 0 40 DIAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C(F)(F)F 8054002 XRAZHHDTMNHRNJ-UHFFFAOYSA-N 315.103 4.104 0 40 DIAB CC(C)c1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1 10253853 IAXYTLSVBKBSFR-UHFFFAOYSA-N 313.382 4.174 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1cccc(F)c1 13015423 VJGQACCNQROFJV-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2cccc(F)c2)cc1OC 15414141 KEQDORDVPKPSPD-UHFFFAOYSA-N 323.751 4.139 0 40 DIAB c1ccc(N2C[C@@H]3COc4c(ccc5ccccc45)C3=N2)cc1 17429041 DVHWZNNXONFGQW-OAHLLOKOSA-N 300.361 4.073 0 40 DIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc2cnccc12 21218080 MHMAKGKXYVCCKI-UHFFFAOYSA-N 316.404 4.295 0 40 DIAB COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1C(C)C 28758316 DFGHWXSDNFXULD-CQSZACIVSA-N 312.413 4.258 0 40 DIAB CS[C@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 42853370 JIQXHPWYHGTEMU-DGCLKSJQSA-N 320.483 4.101 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 43209889 BNPDAJSVJKSAGM-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CCN(CC(=O)Nc1cccc2ccccc12)c1ccccc1 59566591 GZNIHZGSPBFJEG-UHFFFAOYSA-N 304.393 4.305 0 40 DIAB FC(F)(F)c1nc2cc(-c3nc4ccccc4[nH]3)ccc2[nH]1 68752172 MZOGOJITQNNAPP-UHFFFAOYSA-N 302.259 4.125 0 40 DIAB CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 71415951 ZFLDTFYJETVVJS-CYBMUJFWSA-N 303.789 4.160 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)SCc1ccc(F)cc1 71818598 UNFFFSIBIUNCCJ-LBPRGKRZSA-N 319.401 4.095 0 40 DIAB O=C(C=C1CCCCC1)N(Cc1cccnc1)Cc1ccco1 71824283 POPJFEKYMGLIJG-UHFFFAOYSA-N 310.397 4.094 0 40 DIAB CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 95751675 NOJHFQOJLDFDKP-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB FC(F)(F)SCCCNCc1ccc(C(F)(F)F)cc1 95918398 IODRSXFPWSEWTK-UHFFFAOYSA-N 317.298 4.438 0 40 DIAB C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc2ccccc2o1 108372365 DSIBYAMNVHUIGR-YEWWUXTCSA-N 317.454 4.138 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 216888947 BKHBFCLOBNHGAR-VQHVLOKHSA-N 320.747 4.244 0 40 DIAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 223096975 LMUBWMZWWKFADQ-MRXNPFEDSA-N 305.780 4.289 0 40 DIAB COc1cc(C)c([C@H](C)NC(=O)c2ccco2)cc1C(C)C 223272908 KPODQZPHPKPCPD-ZDUSSCGKSA-N 301.386 4.211 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225637304 GNPHZALVPCVCAE-LIRRHRJNSA-N 319.445 4.318 0 40 DIAB O=C(O)c1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031850 XEESRIJOTBNGDS-UHFFFAOYSA-N 315.756 4.072 0 40 DIAB C[C@@H]1C[C@H](c2cccnc2)N(Cc2ncccc2C(F)(F)F)C1 252552885 VEDLWDKSIAHWLU-MLGOLLRUSA-N 321.346 4.079 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]21C 263597452 GUBNWXDDDXQJOQ-QXXRKKQISA-N 306.490 4.141 0 40 DIAB Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1C1CC1 409132127 OVWRRRORIOIFOC-NVNXTCNLSA-N 318.442 4.132 0 40 DIAB O=C(NCc1ccc(-c2ccco2)o1)c1cccc(Cl)c1 575608029 HUNHKSOULIZRCS-UHFFFAOYSA-N 301.729 4.123 0 40 DIAB Cc1[nH]nc2ncc(NCc3ccc(F)c4ccccc34)cc12 1560624393 MKJDYAHADBMERM-UHFFFAOYSA-N 306.344 4.171 0 40 DIAB CCn1cc(SCC(=O)Nc2ccccc2)c2ccccc21 425872 GGVORHLVFJNBQX-UHFFFAOYSA-N 310.422 4.392 0 40 DIAB CCOC(=O)c1c(-n2c(C)ccc2C)sc2c1CC[C@H](C)C2 1006266 FYKCCIHJNYJOMH-NSHDSACASA-N 317.454 4.457 0 40 DIAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccco1 3396103 SZCSQRNLGQNNJY-CYBMUJFWSA-N 311.406 4.230 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C 3581622 DBHOPRGNRXHLEI-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cc(F)ccc2[nH]1 5244804 WAJUXPABUIOBCA-UHFFFAOYSA-N 312.388 4.006 0 40 DIAB CC(=O)CSC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 5377999 CZFWCNPLZZLWED-IAGOWNOFSA-N 311.406 4.177 0 40 DIAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCCC2 5717879 QZTNVSCZANMFDV-UHFFFAOYSA-N 323.458 4.178 0 40 DIAB CC(C)(C)NC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 6262559 RWJLUEBMLMROIV-UHFFFAOYSA-N 315.398 4.476 0 40 DIAB COc1cccc(NC(=O)c2ccccc2SC(C)C)c1 8041402 HFRKBKMBVQMDAH-UHFFFAOYSA-N 301.411 4.448 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c(C)c1 8041447 WIRJVPOJFJSZNF-INIZCTEOSA-N 301.361 4.239 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 8060758 FXNIPVIROAVNGZ-UHFFFAOYSA-N 309.287 4.075 0 40 DIAB COc1ccc(SCCC(=O)Nc2ccc(F)cc2F)cc1 10219602 OWWSITBDPIKZER-UHFFFAOYSA-N 323.364 4.094 0 40 DIAB CC(C)C(=O)N1CCc2cc(-c3cc4ccccn4c3)ccc21 12220072 KQMQEOWWDHYSSL-UHFFFAOYSA-N 304.393 4.151 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1 26490824 YXCVRDLHNKHRGA-SCZPIIQISA-N 309.409 4.284 0 40 DIAB C[C@@H]1CCCN(CCCCNC(=O)c2ccc3ccccc3c2)C1 46991101 PGKDAOYXJNVSOK-QGZVFWFLSA-N 324.468 4.082 0 40 DIAB C[C@H](Cc1cccc(Cl)c1)NC(=O)Nc1ccccc1F 48341560 AYRAZURRBPORLC-LLVKDONJSA-N 306.768 4.232 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(SC)cc2)c(C)c1 51355962 AOTNUWVINFOXBC-UHFFFAOYSA-N 302.399 4.370 0 40 DIAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1cccc2ccccc12 71280901 OBDNBXQQCHNAGE-LBPRGKRZSA-N 324.361 4.118 0 40 DIAB S=C(NCc1cccs1)N[C@@H]1CCc2c(Cl)cccc21 71824618 KHKRQIRNZHLQQP-CQSZACIVSA-N 322.886 4.053 0 40 DIAB COc1cccc(-n2c(-c3ccc(N)cc3)nc3ccccc32)c1 73739931 XPWAXLOQFHXFGX-UHFFFAOYSA-N 315.376 4.283 0 40 DIAB Cc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 101329212 BCMCFVSLWAPEAD-QGZVFWFLSA-N 322.799 4.296 0 40 DIAB CCc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219850599 YHRHNUVBXUHXHV-UHFFFAOYSA-N 322.452 4.413 0 40 DIAB CC(C)c1ccc(CCCNC(=O)Cc2ccc(F)cc2)cc1 225458416 GSPKUQSHIRBZES-UHFFFAOYSA-N 313.416 4.241 0 40 DIAB Fc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225540112 ZAMMEDPTQNNZIZ-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB Cc1ccnc(NC(=S)NCCCSC2CCCCC2)c1 225592171 XLXPDEHRSRPZJE-UHFFFAOYSA-N 323.531 4.132 0 40 DIAB CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)cc1 225630058 AZWSEXXOWMMIRD-FQEVSTJZSA-N 323.436 4.455 0 40 DIAB Cc1ccc(CSc2nnc(Cc3ccccc3C)[nH]2)cc1 226299389 BSZQWVSCOBVGGG-UHFFFAOYSA-N 309.438 4.305 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1C2=CC[C@]2(C)[C@H]1CC[C@@]2(C)O 263612237 XYSMGHMDSVPTRB-OAEFVTONSA-N 302.458 4.269 0 40 DIAB Cc1cc(C(=O)C(Cl)(Cl)Cl)ccc1Br 307663774 JGAAAEJKUUXDBR-UHFFFAOYSA-N 316.409 4.310 0 40 DIAB C[C@H]1CN(Cc2cccc(O)c2Cl)[C@H](c2ccccc2)CO1 508750292 YVGIPOIZYJFAAN-BBRMVZONSA-N 317.816 4.008 0 40 DIAB CC[C@@H](C(=O)NCc1ccc(-c2ccoc2)o1)c1ccccc1 575610456 NGYZGJRLMQYTFT-QGZVFWFLSA-N 309.365 4.350 0 40 DIAB Cc1ccc2nc(-c3ccc(O)cc3)c(NC3CCCC3)n2c1 417893 DHEMWGBIKVGZGS-UHFFFAOYSA-N 307.397 4.370 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc2ncccc12 2647356 LXIRRHGVORBCBM-UHFFFAOYSA-N 314.747 4.209 0 40 DIAB Cc1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1F 3398482 QGIUWYOUPARXTC-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB O=C(NCC1CCCCC1)Nc1cccc(C(F)(F)F)c1 3434487 HXNIBQXJLIVIHO-UHFFFAOYSA-N 300.324 4.407 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCCCC1 4123476 ZDKFSRSOBMBSMR-HXUWFJFHSA-N 305.425 4.447 0 40 DIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C)c1 4135286 JNJMEMDECBMBEM-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB COCc1c(C(=O)Nc2ccccc2)sc2cccc(F)c12 5403356 ZVESUIYZBNYMPG-UHFFFAOYSA-N 315.369 4.439 0 40 DIAB Cc1cccc(-c2nnc(SCc3ccc(F)cc3)o2)c1 6302551 VACKBGYTAJSARD-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB CC(C)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 6372543 KRNPQRYFNHSAGT-ONNFQVAWSA-N 309.365 4.191 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1CCOc1cc(C)ccc1C 6745823 DYQXCCALCHYJFF-GOSISDBHSA-N 324.424 4.176 0 40 DIAB CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1C(=O)O 6963940 XNMQHWZQKPKHMG-VXLYETTFSA-N 317.772 4.496 0 40 DIAB Cc1ccsc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603133 YOCDQZCRCYQNID-JYRVWZFOSA-N 317.391 4.416 0 40 DIAB CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 9141049 KEJRJVFJEWHFKI-UHFFFAOYSA-N 300.745 4.415 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 10109570 RMVYABOPEYEPKE-HNNXBMFYSA-N 308.406 4.274 0 40 DIAB Cc1cc(-c2cnc(NCc3cccs3)nc2C(C)C)on1 12186872 HLCPLZAVMKHSAK-UHFFFAOYSA-N 314.414 4.237 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(Cl)c1Cl 13169693 SYBGHIGQBRKQRV-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 13915961 FHISJWZSANXHJS-UHFFFAOYSA-N 307.437 4.398 0 40 DIAB CCOP(=O)(OCC)[C@@](O)(CC)c1ccc(Cl)cc1 16611414 CXALBLXRMWYQHI-ZDUSSCGKSA-N 306.726 4.161 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C)CC1 20456292 CJOHMSOJPMIXKC-LJQANCHMSA-N 311.425 4.256 0 40 DIAB COc1cc(CN[C@H](C)c2ccc(Cl)cc2)cc(OC)c1 21789632 AEFREVAQGMOMKV-GFCCVEGCSA-N 305.805 4.208 0 40 DIAB CC[C@@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 22382257 PHYJFEFHQQEMQH-ZDUSSCGKSA-N 319.351 4.212 0 40 DIAB CCC(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 23623139 JREMGDQYMOHIRR-UHFFFAOYSA-N 309.394 4.221 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N(Cc1ccc(F)cc1)C1CC1 24337300 YGLBATMDQASPIC-UHFFFAOYSA-N 308.356 4.112 0 40 DIAB Brc1ccccc1-c1nnc(-c2cccs2)o1 30823670 CPNYPZZMAXTYJJ-UHFFFAOYSA-N 307.172 4.228 0 40 DIAB O=C(c1ccccc1)[C@@H](NCCc1ccccc1)c1ccccc1 31702870 GNJJDOMUTKENFI-NRFANRHFSA-N 315.416 4.443 0 40 DIAB COc1ccccc1Cn1c(C)cs/c1=N\c1cccc(C)c1 32741523 ODFVBABRWGWQRK-VXPUYCOJSA-N 324.449 4.456 0 40 DIAB C[C@H](C1CC1)N(C(=O)c1csc(-c2ccsc2)n1)C1CC1 32814624 AINWKZFJPWETPX-SNVBAGLBSA-N 318.467 4.275 0 40 DIAB COc1ccccc1Nc1c(-c2cccs2)nc2cnccn12 35616094 VNTFLMSOAJCNLF-UHFFFAOYSA-N 322.393 4.210 0 40 DIAB NC(=O)/C=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 44262073 UEKJNKMXQJLFBN-UTCJRWHESA-N 315.678 4.117 0 40 DIAB FC(F)(F)c1ccc(-c2noc(CNc3ccccc3)n2)cc1 48366707 KNHLRMOPCKXBSE-UHFFFAOYSA-N 319.286 4.368 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 56172936 ODRHIDHLJIFIOD-UHFFFAOYSA-N 324.424 4.084 0 40 DIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 58218135 STEADCDEEZWMPR-MJGOQNOKSA-N 324.424 4.016 0 40 DIAB CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 70036500 ZXLVDYVUYQZQNE-UHFFFAOYSA-N 309.837 4.122 0 40 DIAB CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 70461564 YHTKAAVRDRAXKC-UHFFFAOYSA-N 301.729 4.325 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OC(F)F)c1 71282460 UOLGENDYURFVKI-LBPRGKRZSA-N 321.327 4.189 0 40 DIAB Cc1ccc(-c2n[nH]c(SCc3ncc(C(C)C)o3)n2)cc1 71904408 FURJKMQIFJAATE-UHFFFAOYSA-N 314.414 4.184 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72211927 GXMIQASMVJOJIF-HNNXBMFYSA-N 320.433 4.331 0 40 DIAB Cc1ccc2c(ccn2CC(=O)Nc2ccc3[nH]ccc3c2)c1 72325163 GXASCKYCFAIOIX-UHFFFAOYSA-N 303.365 4.070 0 40 DIAB biogenic CC(C)Oc1ccccc1C[S@](=O)Cc1cccc(F)c1 78556129 MUHGZBYRYFXXIX-NRFANRHFSA-N 306.402 4.062 0 40 DIAB S=C(Nc1ccccc1)N1CCC[C@H]1CCc1ccccc1 84528459 FSPPKKLIWXBEAT-SFHVURJKSA-N 310.466 4.481 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 90658279 JGMOKGBVKVMRFX-MFHSYZQISA-N 312.453 4.500 0 40 DIAB O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1C[C@@H]1c1cccnc1 96410516 SEJVVYVOLYCSMA-RTBURBONSA-N 321.424 4.178 0 40 DIAB Cc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 102675392 ALINFHVWAKPEBA-UHFFFAOYSA-N 301.349 4.077 0 40 DIAB CC(=C\c1ccco1)/C=C1/SC(=O)N(c2ccccc2)C1=O 113835937 VVLVUYHOCIAXPP-NZWDAJRTSA-N 311.362 4.467 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C)c1 113956242 BFUKGCBVDXJCEE-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 196451585 SZABHIWVVZRYJI-AWEZNQCLSA-N 315.454 4.495 0 40 DIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)s1 222568387 YRFNEPXNVNFBJU-NILFDRSVSA-N 315.467 4.041 0 40 DIAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2ccccc2)ccc1Cl 222839639 PSWBYOOEAFSCQM-CQSZACIVSA-N 317.816 4.074 0 40 DIAB O=C(OC1CCCCCC1)c1snnc1-c1cccs1 223845490 RUHGSBJEPQAKKD-UHFFFAOYSA-N 308.428 4.146 0 40 DIAB CCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475552 VGHBXWCMMXMRHD-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 257270893 MWBDPCPEFHFJHZ-SFHVURJKSA-N 322.452 4.419 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260767827 PGAVMOGYGAHDAI-NBOOPKSLSA-N 315.457 4.191 0 40 DIAB Cc1cc(CN2CC[C@H](c3ccccc3)C2(C)C)oc1C(=O)O 576233995 QDLMPGUZOMPOSW-MRXNPFEDSA-N 313.397 4.054 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 364826 PQTSTSUAQFKNGZ-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCCCCOc1ccc(NS(=O)(=O)c2ccccc2)cc1 3080512 QDXBGCQLGRHEFV-UHFFFAOYSA-N 319.426 4.056 0 40 DIAB COc1ccccc1OC(=O)Cc1c(Cl)cccc1Cl 3248792 IKPRXXKTRNFQMF-UHFFFAOYSA-N 311.164 4.150 0 40 DIAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 3499276 IPFLGENXWHILSC-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB COc1ccc(Cl)cc1NC(=O)Cc1ccccc1Cl 3549865 PAOIBILTGMRKGK-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3566668 BRODUCBMXCAOPH-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB Cc1ccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn23)cc1 4664981 LVMVUTAVEBKOCP-UHFFFAOYSA-N 320.421 4.445 0 40 DIAB CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5704644 DUJKFDLEVJWXPN-UHFFFAOYSA-N 310.784 4.257 0 40 DIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(C)c2)n1 5981729 DFMNHBLBWCHFKM-UHFFFAOYSA-N 316.360 4.478 0 40 DIAB biogenic O=C(Cc1cccc(F)c1)Nc1nc2ccc(Cl)cc2s1 7485948 HOUCTXFIEOCVJY-UHFFFAOYSA-N 320.776 4.270 0 40 DIAB C1CCC(CCc2nnc3n2N=C2CCCC[C@@H]2S3)CC1 8342585 OBZHEUGGSQYVOW-AWEZNQCLSA-N 304.463 4.043 0 40 DIAB Cc1nc2c(C)c(Cl)ccc2c(O)c1CN1CCC[C@H](C)C1 8717153 DJJFNASQPGYBEM-NSHDSACASA-N 318.848 4.443 0 40 DIAB O=c1[nH]c(-c2ccccc2F)nc2sc(-c3ccccc3)cc12 9459885 CICCYFPVNJQEHF-UHFFFAOYSA-N 322.364 4.458 0 40 DIAB CCc1cccc(C)c1NCc1cc2ccc(C)cc2[nH]c1=O 12492391 BLXGZNDLVHNXOT-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1C 13582431 QUDARHZGBSBCIT-INIZCTEOSA-N 311.425 4.145 0 40 DIAB CC(C)c1ccc(-c2nonc2NC(=O)c2cccs2)cc1 13692716 AAGUMPXUJGFRSU-UHFFFAOYSA-N 313.382 4.174 0 40 DIAB CCn1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 14091387 GYUAHXCHIJJDCS-UHFFFAOYSA-N 323.465 4.490 0 40 DIAB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C 15602873 HTRWOFNAKHMVSK-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB FC(F)(F)c1cccc(NC(=S)c2nc3ccccc3[nH]2)c1 23118606 YDPBPJUEXQGXJT-UHFFFAOYSA-N 321.327 4.369 0 40 DIAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(C)c1 25958135 KPSOFRPNVYETJU-AWEZNQCLSA-N 317.379 4.392 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Oc1ccccc1 32678638 WQVRZUPJJHJLRB-GFCCVEGCSA-N 323.845 4.218 0 40 DIAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 32914020 SXSHMJXVOUWCRZ-KBPBESRZSA-N 317.816 4.123 0 40 DIAB C[C@H]1Sc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2OC1=O 35327020 ZUSOEMSJWKMNET-SECBINFHSA-N 308.443 4.387 0 40 DIAB COc1ccc(-c2cc(C)c(-c3ccc(OC)cc3)nn2)cc1 39895569 DETIKINICFPKKA-UHFFFAOYSA-N 306.365 4.136 0 40 DIAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 40108609 DFXHPGKYHDGLNP-HNAYVOBHSA-N 309.409 4.100 0 40 DIAB CCCCCC(=O)NCc1ccc(CN2CCC(C)CC2)cc1 48288765 LWDGYTGNHZREBV-UHFFFAOYSA-N 316.489 4.115 0 40 DIAB Cc1ccc([C@H](C)N(C)Cc2nc(-c3ccsc3)no2)s1 48342219 BBRDOUGUMMSYSN-NSHDSACASA-N 319.455 4.361 0 40 DIAB COc1ccc(NC(=O)Nc2cccc(F)c2C)cc1Cl 51354559 YCNAZAYUIVGWKG-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72213390 JBPWDTAUZLKHIK-DZGCQCFKSA-N 319.449 4.364 0 40 DIAB Cc1cc(N(C)Cc2ccccc2)ncc1[C@@H](O)c1ccccc1 72223400 AFUNFNXSBFZBPJ-NRFANRHFSA-N 318.420 4.108 0 40 DIAB CCCOc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 72331780 STFVHUNIHIPBRM-UHFFFAOYSA-N 321.779 4.198 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 75252011 IFOMAPHQGFABDA-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Fc1ccc(Br)c(OC(Cl)(Cl)Cl)c1 95215636 FDIWGZBCDYIVEX-UHFFFAOYSA-N 308.361 4.295 0 40 DIAB FC(F)(F)c1ccc2oc(CSC3=NCCS3)nc2c1 95425741 JSXHSUSUJXKUCR-UHFFFAOYSA-N 318.345 4.183 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101398295 QAPNWNUZRUXEPP-BAHXQUAYSA-N 321.848 4.048 0 40 DIAB O=C1CCC(Nc2ccc(Br)cc2Cl)CC1 114485346 OTUWGWYHODVFPZ-UHFFFAOYSA-N 302.599 4.026 0 40 DIAB CCOc1ccc(CCCNC(=O)c2ccc(C)c(C)c2)cc1 223055653 HBJYNGQIMKCCLD-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB Cc1ccccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225016182 BCGPBIAPGSDPGE-LJQANCHMSA-N 306.361 4.223 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1 225691774 HVJKXYBUVQMPBV-GOSISDBHSA-N 307.434 4.255 0 40 DIAB CC(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 75196 XRPSPIOXOLVQFW-UHFFFAOYSA-N 306.390 4.340 0 40 DIAB CC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 348366 BCNARJZUYORLSJ-UHFFFAOYSA-N 308.333 4.471 0 40 DIAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc(F)cc1 559695 RTNGNJPAOXAEKF-UHFFFAOYSA-N 302.330 4.103 0 40 DIAB CC(=O)c1sc(NC(=O)c2cccc3ccccc23)nc1C 567926 MSWVUCWVRXJTKT-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB aggregator O[C@](c1ccc(Br)cc1)(c1cccs1)C1CC1 1726831 FYNBPTDOFQAGEI-CQSZACIVSA-N 309.228 4.157 0 40 DIAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1C 3330098 DWMZQGACJZIJEB-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB Cc1ccc2c(CN3c4ccccc4C[C@@H]3C)cc(=O)oc2c1 3390163 LHMOHDCOJBKIFK-AWEZNQCLSA-N 305.377 4.053 0 40 DIAB COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1Cl 3613812 JBHGVBVVRKFQBM-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CCOc1ccc(-c2noc(-c3cccs3)n2)cc1OCC 4433634 CNLNVKCXPPBBJX-UHFFFAOYSA-N 316.382 4.263 0 40 DIAB O=C(c1ccccc1)N(Cc1ccco1)Cc1ccccc1F 6747613 SKQNYXIGCXQDDM-UHFFFAOYSA-N 309.340 4.261 0 40 DIAB Cc1csc(Sc2nc3cc(C)nn3c3ccccc23)n1 7778728 IDOCMKBKNLRUIK-UHFFFAOYSA-N 312.423 4.107 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncccc1Cl 8706046 KIKOYNDTCCISOX-LBPRGKRZSA-N 320.845 4.471 0 40 DIAB CCCNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10165537 MGJLPHAOGZNZPY-UHFFFAOYSA-N 317.439 4.241 0 40 DIAB Brc1ccc2nc(NCc3cccnc3)sc2c1 11919985 MEFFIMGPBOVTMX-UHFFFAOYSA-N 320.215 4.066 0 40 DIAB CN(C[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 12946766 HNFBZQUIHQKOBZ-NRFANRHFSA-N 317.432 4.441 0 40 DIAB CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3o2)c1O 14607880 NHIAOXHPYQPURP-UHFFFAOYSA-N 319.364 4.339 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)cc1C 16044678 BVLHPYCRWJXEAP-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 21378573 KBTXBCYFRWWXRH-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CC(C)c1ccc(CN[C@@H](c2ccccc2)c2nccn2C)cc1 30643169 XOYSBIVWGXUUOE-FQEVSTJZSA-N 319.452 4.423 0 40 DIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2cccs2)o1 31526268 UCDYKRXXPNDNKT-KUELQNGQSA-N 301.411 4.136 0 40 DIAB COc1ccccc1C(=O)Nc1cccnc1Oc1ccccc1 32832613 YIWKEQJXWOBODQ-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB CC(C)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 40067782 JJQWNPPYNKBFSI-SNVBAGLBSA-N 303.233 4.352 0 40 DIAB CN(Cc1ccsc1)C(=O)c1csc(-c2ccsc2)n1 48380657 WGSIMGUZHFOQMH-UHFFFAOYSA-N 320.464 4.205 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1C[C@H]1c1ccccc1Cl 58423668 AVAPQXGGIPZHAP-WDEREUQCSA-N 318.829 4.027 0 40 DIAB C=CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 58652527 ZTTRIXWPUWGANZ-UFFVCSGVSA-N 321.302 4.111 0 40 DIAB CC(=O)N1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217636 ZRXQRMODONQHSE-KRWDZBQOSA-N 312.438 4.306 0 40 DIAB COc1ccc(C)c2c(Nc3cccc(C(=O)O)c3)cc(C)nc12 78401739 RYTMGHRGLFPHPL-UHFFFAOYSA-N 322.364 4.302 0 40 DIAB Cc1cccc(OCCNC2(c3nc(C)cs3)CCCC2)c1 95962973 MUTWFIRMDNUPSE-UHFFFAOYSA-N 316.470 4.198 0 40 DIAB c1cc(NCc2cccc3cn[nH]c23)cc(N2CCCCC2)c1 95971902 XKVSPZUFEBQAMG-UHFFFAOYSA-N 306.413 4.165 0 40 DIAB COCc1nc2cc(NCc3cccc4cccnc34)ccc2o1 96456852 AZFQBQUAYVMSLH-UHFFFAOYSA-N 319.364 4.135 0 40 DIAB Cc1cc(C)cc(Nc2ncc(Br)c(Cl)n2)c1 148808650 MDLGAVFKAFQRPC-UHFFFAOYSA-N 312.598 4.253 0 40 DIAB COc1c(Cl)cc(Cl)cc1-c1nc2cc(N)ccc2o1 216731961 GCRJEFRFJJSQSK-UHFFFAOYSA-N 309.152 4.392 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 222867256 NLTNPNCKAXFZDC-QFBILLFUSA-N 311.425 4.338 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(F)cc1 224447735 NTJAGGBQSVJSQF-WMLDXEAASA-N 309.425 4.316 0 40 DIAB Cc1cc(C)cc(NC(=S)N[C@H](C)COc2ccccc2)c1 225781331 PWSVKMWWHATWOK-OAHLLOKOSA-N 314.454 4.057 0 40 DIAB Cc1ccc(N(C)C(=O)c2cc(-c3ccccc3)on2)cc1C 225898299 YSXVOMZWJWMVNW-UHFFFAOYSA-N 306.365 4.235 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCC1=CCCCC1 408678830 IIXPRBWPXCSIMP-SFHVURJKSA-N 301.430 4.159 0 40 DIAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1O 409114045 ICYXFIXNBHBWDK-ZSOIEALJSA-N 303.770 4.131 0 40 DIAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccncc3)o2)c1 215050 VYTRUHMGFSNSKK-UHFFFAOYSA-N 322.364 4.123 0 40 DIAB COc1ccc(-c2cc(C(=O)NC(C)C)c3ccccc3n2)cc1 501840 CJJUALAHGDREPS-UHFFFAOYSA-N 320.392 4.049 0 40 DIAB Cc1ccc([C@@H](CC(=O)N2CCCC2)c2ccccc2)c(O)c1C 531418 HXWPDLNZSWKLJM-IBGZPJMESA-N 323.436 4.153 0 40 DIAB Oc1ccccc1Nc1nc(-c2cccnc2)nc2ccccc12 892011 QIQZDHNSUNNFOX-UHFFFAOYSA-N 314.348 4.141 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)C1=Cc2ccccc2OC1 1391525 RZKJJJGXPVYJKY-UHFFFAOYSA-N 320.175 4.408 0 40 DIAB CSCc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 3438943 NHYFHWBYFJCHBF-UHFFFAOYSA-N 323.364 4.403 0 40 DIAB N=C(COc1ccc(Cl)c(Cl)c1)NC1CCCCC1 4015686 VPJXMKAYAPVWDP-UHFFFAOYSA-N 301.217 4.272 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 4681130 OKKWNTYEVBXMHN-UHFFFAOYSA-N 310.397 4.092 0 40 DIAB CN[C@@H](C)Cc1ccccc1Sc1ccc(OC)c(OC)c1 5368255 LPUQKAJQMWABRE-ZDUSSCGKSA-N 317.454 4.005 0 40 DIAB C[C@@H]1CCC[C@@H](NC(=O)CSc2ccccc2Cl)[C@@H]1C 5504477 CYUJHOQGXMZASB-YRGRVCCFSA-N 311.878 4.373 0 40 DIAB Cc1sc(NC2CC2)nc1-c1ccc(NC(=O)C(C)C)cc1 7274844 DLJSDTUYSUTDQJ-UHFFFAOYSA-N 315.442 4.287 0 40 DIAB CC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1 8162777 FXADXFBQXHFGLM-GOSISDBHSA-N 306.409 4.286 0 40 DIAB Cc1ccc(COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 8372941 UDVPJGZUNMRSRQ-UHFFFAOYSA-N 320.344 4.425 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)ccc1C 8495674 NJFVHYWMQAJTSN-INIZCTEOSA-N 301.361 4.239 0 40 DIAB COc1ccc(-c2[nH]c(=S)ncc2-c2ccccc2)c(O)c1 11869531 HEMUKQUHIGDWNJ-UHFFFAOYSA-N 310.378 4.187 0 40 DIAB Cc1ccc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 12908703 NIMUPUCHNVMKMI-HNNXBMFYSA-N 316.401 4.493 0 40 DIAB Cc1ccc(C(=O)CSc2nc(C3CCCC3)n[nH]2)cc1C 12971235 BSEDQKNFUQAWFB-UHFFFAOYSA-N 315.442 4.054 0 40 DIAB Cc1cccc(CSc2nnc(Cc3ccccc3)n2C)c1 13325485 SPGYHOAJOZRQMV-UHFFFAOYSA-N 309.438 4.007 0 40 DIAB O=C(c1ccccc1OCc1ccccc1)N1CCCCCC1 13686960 YHSWRPMITYDIHN-UHFFFAOYSA-N 309.409 4.282 0 40 DIAB COc1cccc(CC(=O)Nc2ccc(Cl)cc2Cl)c1 14495958 ZJPVMIJCVKZUSI-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C=O)cc1)S2 16266272 RNYFEMLAQPIMJG-KRWDZBQOSA-N 306.390 4.188 0 40 DIAB C[C@H]1CCCCN1C(=S)Nc1ccc(C(F)(F)F)cc1 17030797 IJZKUJUXXXRFJN-JTQLQIEISA-N 302.365 4.277 0 40 DIAB CC(C)C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccccc1 21835714 DSBDESKZFBBYAJ-GOSISDBHSA-N 315.388 4.108 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(SC)c1 22511738 HJHYGWRZGPOYRR-ZDUSSCGKSA-N 315.438 4.377 0 40 DIAB CCC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 23732717 HRAAKBANKIWTNR-HNNXBMFYSA-N 303.789 4.317 0 40 DIAB Cc1cccc(C(=O)N(c2ccccc2)c2nc(C)cs2)n1 24589218 ZZKXSXUZUBDXDF-UHFFFAOYSA-N 309.394 4.133 0 40 DIAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 24692425 HTYNFFSBASMKJD-OAHLLOKOSA-N 320.392 4.156 0 40 DIAB CCC(CC)C(=O)Nc1ccc(Br)c2cccnc12 27930518 RVMNMAGGUFIENX-UHFFFAOYSA-N 321.218 4.372 0 40 DIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(SC)c1 30869325 SFTSUWJVNQCWRR-INIZCTEOSA-N 319.401 4.344 0 40 DIAB O=C(NCc1ccc(-c2ccc(O)cc2)cc1)C1CCCCC1 32902222 SMLMBBLRMRGXQJ-UHFFFAOYSA-N 309.409 4.256 0 40 DIAB Cc1ccsc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 32931245 PRHSWGVHCLCOQN-ZDUSSCGKSA-N 303.427 4.335 0 40 DIAB O=C(O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127606 UGHLYTDPFYQQCU-UHFFFAOYSA-N 322.147 4.429 0 40 DIAB Cc1ccsc1CN(C)C(=O)Nc1cccc2cnccc12 43161358 XRCROWIKGUZTSK-UHFFFAOYSA-N 311.410 4.269 0 40 DIAB O=C(Nc1cccc2c1CCCC2)N1CCc2sccc2C1 43316616 JASLYDFLEWBCDZ-UHFFFAOYSA-N 312.438 4.217 0 40 DIAB CC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357577 BWDMQZFCPYGPTO-SFHVURJKSA-N 314.816 4.009 0 40 DIAB CN(Cc1cccc2ccccc12)c1ncnc2sccc12 83864210 PGDJUQPRTUGZJH-UHFFFAOYSA-N 305.406 4.481 0 40 DIAB CC(C)n1c(C(=O)N2CCC[C@@H]2C)cc2c1c1ccccc1n2C 96264170 QYRVMKUYLGEFLE-AWEZNQCLSA-N 323.440 4.338 0 40 DIAB CS[C@H]1CCC[C@H](NCc2ccc(-c3cccnc3)o2)C1 97002169 ADFHLPFLLVWNQB-HOCLYGCPSA-N 302.443 4.105 0 40 DIAB Cc1cccc(CSCCNC(=O)c2ccc(C)cc2C)c1 224208044 JXSOXNRZEXRNMV-UHFFFAOYSA-N 313.466 4.275 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224965376 UJZPIIIICMNDRB-UHFFFAOYSA-N 308.425 4.167 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1C 225707446 XYTDEKOSIWTYMU-UHFFFAOYSA-N 305.418 4.072 0 40 DIAB COc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1Cl 225853775 ZEWQTJPGAUXUFL-UHFFFAOYSA-N 324.877 4.358 0 40 DIAB Brc1ccc([C@@H]2C[C@H]2CN2CCCCCC2)cc1 575422433 FYRVMKCNYFMBEZ-HOCLYGCPSA-N 308.263 4.429 0 40 DIAB Cn1cnc2c(-c3ccc(N)cc3)ccc(-c3ccc(N)cc3)c21 2049305470 LGCNUXCTAPMISQ-UHFFFAOYSA-N 314.392 4.072 0 40 DIAB Cc1ccc(C(=O)Nc2cccc([C@H](O)c3ccccc3)c2)cc1 482094 CVWCFLJVTABREW-HXUWFJFHSA-N 317.388 4.329 0 40 DIAB Cc1ccc2[nH]c3c(NCc4ccc(F)cc4)ncnc3c2c1 536801 SQTCPZIYLGWHTR-UHFFFAOYSA-N 306.344 4.171 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(Cl)cc1 579335 RLTFQKUKUAMPJF-JXMROGBWSA-N 306.192 4.323 0 40 DIAB CCN(CC)C(=S)SCC(=O)c1c(C)[nH]c2ccccc12 1799374 DEKNGTYNYQKWRH-UHFFFAOYSA-N 320.483 4.019 0 40 DIAB CCOP(=O)(Cc1ccc(C(C)(C)CC(C)=O)o1)OCC 2311285 WWUGOXUXPNRBQI-UHFFFAOYSA-N 316.334 4.302 0 40 DIAB O=C(/C=C/c1ccco1)Oc1ccccc1Cc1ccccc1 3282060 RMTSDUGVJWQDMA-OUKQBFOZSA-N 304.345 4.489 0 40 DIAB CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 8717043 WMAWRNBUHNNHGF-UHFFFAOYSA-N 311.768 4.335 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccccc1Oc1ccccc1 8884495 OLUJEJAIJOVKAH-UHFFFAOYSA-N 322.364 4.265 0 40 DIAB CCOc1ccccc1C(=S)NCc1ccccc1Cl 9188181 XHLILKPKCAMEJH-UHFFFAOYSA-N 305.830 4.204 0 40 DIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC=CCC1 10427318 ZSBOGPUIPHYUOH-OAHLLOKOSA-N 317.392 4.320 0 40 DIAB CC(C)n1c(S)nnc1COc1ccc(C(C)(C)C)cc1 11692591 INGWKTTXIWHJJW-UHFFFAOYSA-N 305.447 4.024 0 40 DIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13708905 GKPUCWVPQMTIHI-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(Cl)cc1 19798375 RYQSSFYKOIWPCP-QGZVFWFLSA-N 312.800 4.065 0 40 DIAB biogenic CCOC(=O)Nc1cccc(Oc2ncnc3sccc23)c1 23380936 PPVPCZFPZWRUSP-UHFFFAOYSA-N 315.354 4.052 0 40 DIAB CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccccc1 32369620 MBMFTMIBGMTXBK-UHFFFAOYSA-N 305.381 4.052 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2)C1(C)C 32843231 HUINDZQGANDZRK-JKSUJKDBSA-N 305.849 4.237 0 40 DIAB CC(C)(C)[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 36394439 GSQLNOKJGCCWDC-INIZCTEOSA-N 316.376 4.208 0 40 DIAB O=C(c1cccc(C2OCCO2)c1)c1cc(Cl)ccc1Cl 43212587 QYGJAHNLHCLYNI-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB Cc1nc2ccc(C(=O)N3CCC[C@H]3C3CCCC3)cc2nc1C 56034249 XDCNUHFVTOQXAU-IBGZPJMESA-N 323.440 4.041 0 40 DIAB BrC12CCC3(Br)CC(CC(C1)C3)C2 57628185 BBYUJAFVLMSQKG-UHFFFAOYSA-N 308.057 4.258 0 40 DIAB Cc1csc(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 69740532 HMHFKXCMBTUNCS-UHFFFAOYSA-N 314.454 4.088 0 40 DIAB CCCN1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216660 BVIVSVFVKBXAJL-GOSISDBHSA-N 301.478 4.399 0 40 DIAB Cc1cnc([C@H](NC(=O)C[C@H](C)c2ccccc2)C2CC2)s1 72296842 ONIDNQYZXILXOI-YVEFUNNKSA-N 314.454 4.213 0 40 DIAB CC(=O)Nc1ccc(NCc2ccccc2C(F)(F)F)cc1 72937820 VREABZJOWKHCGH-UHFFFAOYSA-N 308.303 4.276 0 40 DIAB Nc1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 73637654 IGNIJKHXLONPKA-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB C[C@H]1C[C@H]1c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 75134639 GCGVPMCXKSWDRY-GXFFZTMASA-N 318.336 4.063 0 40 DIAB O=C([C@H]1CC=CCC1)N(CCc1cccs1)Cc1ccco1 75170181 ANJKABDHWFBFIP-HNNXBMFYSA-N 315.438 4.269 0 40 DIAB C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 83293768 QAAQQTDJEXMIMF-MZQZJKNOSA-N 318.501 4.307 0 40 DIAB CCOC(=O)c1oc2cccc(OCc3ccccc3)c2c1C 85395608 ZGCFWUMNDDAIDI-UHFFFAOYSA-N 310.349 4.497 0 40 DIAB Cc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 95393206 LHLGUKVJIPLZOY-DLBZAZTESA-N 306.365 4.187 0 40 DIAB Cc1ccc(C)c(N(C)Cc2nnc(-c3ccc(F)cc3)o2)c1 95962689 PJJXLOGAXXMZLN-UHFFFAOYSA-N 311.360 4.129 0 40 DIAB CCc1ccc(C2=C[C@H](c3ccccc3C)n3ncnc3N2)cc1 102047562 JEUDAJWCEFQSSV-LJQANCHMSA-N 316.408 4.205 0 40 DIAB C[C@@H]1CCc2sc3c(c2C1)C(=S)N[C@@]1(CCC[C@@H](C)C1)N3 170622667 BRBYVAZQXIYOLV-AGKHESDQSA-N 320.527 4.470 0 40 DIAB C[C@H](Cc1ccoc1)NC(=O)c1ccc(-c2ccccc2)cc1 206662707 QNRJFEWIZMVRCV-OAHLLOKOSA-N 305.377 4.308 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCC1CCCCC1 224442901 WCJOTSVBBOVTLU-OAHLLOKOSA-N 309.837 4.194 0 40 DIAB Cc1nc(-c2cccc(NC(=S)NCC(C)(C)C)c2)cs1 225218575 XJJFMWBYFPPJLS-UHFFFAOYSA-N 319.499 4.451 0 40 DIAB CCc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 225612427 TWOKVDFKPRBJJX-UHFFFAOYSA-N 318.214 4.193 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225725253 LIOAUVUCGJCLKU-IBGZPJMESA-N 319.445 4.236 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cn1 225904505 MIWLTURYOGWLNR-SFHVURJKSA-N 322.449 4.040 0 40 DIAB CC(C)(C=C(Cl)Cl)CCS(=O)(=O)c1ccccc1 255190459 XISFWJDJVLXVFW-UHFFFAOYSA-N 307.242 4.196 0 40 DIAB O=Cc1sc2ccc(Br)cc2c1C(F)(F)F 396264374 AQAWXHRTUUSQTQ-UHFFFAOYSA-N 309.106 4.495 0 40 DIAB Cc1ccc(F)cc1NC(=S)NCCCc1ccccc1 408588890 ZZLRBDPKDZVIOQ-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB Cc1cc(Br)ccc1C(=O)COc1ccccc1 575242956 DLTYZJZOBAUULP-UHFFFAOYSA-N 305.171 4.019 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccc(Cl)s1 575610960 RPFBVNFPDAZNBB-UHFFFAOYSA-N 307.758 4.185 0 40 DIAB c1cc2nc(C3CC3)oc2cc1NCc1ccc2c(n1)CCC2 581593670 HYNPCLGMHQZZBS-UHFFFAOYSA-N 305.381 4.201 0 40 DIAB Cc1cccc(CSc2nnc3c(n2)[nH]c2ccccc23)c1 2503574 NQBHBHKGULKZOM-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB CCOc1ccccc1NC(=S)Nc1cc(C)ccc1OC 2663200 OYQOJRCPKKLKAP-UHFFFAOYSA-N 316.426 4.211 0 40 DIAB Cc1cc(C)cc(NC(=O)c2cccc(Br)c2)c1 3565998 WUSABNVWSIECFC-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)o1 3999947 KSIOCLDAHJHVIW-XETPZZHUSA-N 322.408 4.456 0 40 DIAB biogenic Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 4182039 DGTPKNRUVHAPSW-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB COc1ccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)cc1 4678580 VGBKNBDUJJIXBN-UHFFFAOYSA-N 317.392 4.324 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 6152348 OGYXYWONZCNFQR-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1F 8240876 LAEZUSDEAJRPJG-NSHDSACASA-N 313.328 4.072 0 40 DIAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 8774932 ZJMOIBNAERSUKC-OAHLLOKOSA-N 322.389 4.333 0 40 DIAB CCC(C)(C)NCC(=O)Nc1c(Cl)ccc(C)c1Cl 9494809 SAZTZGRDUGJSQQ-UHFFFAOYSA-N 303.233 4.019 0 40 DIAB Cc1cc(C)cc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 12561761 AUUMYFDMYLAOAX-UHFFFAOYSA-N 323.421 4.404 0 40 DIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccsc1 12746641 HAYOVCGNGOBJPD-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c2ccccc2n1 14186750 ZKUSXTRSALNNGP-KXBFYZLASA-N 308.425 4.338 0 40 DIAB CC(C)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 14201920 ASAQZIDXZOCTGI-UHFFFAOYSA-N 303.431 4.211 0 40 DIAB CCCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1 19075468 GEOODJFKTFTXLW-UHFFFAOYSA-N 300.354 4.180 0 40 DIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cccnc2)cc1 19557607 NMNHVLOJRAIBPU-WOZUAGRISA-N 322.452 4.152 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 20158357 RQBJCNGSGKSVFQ-UHFFFAOYSA-N 310.353 4.185 0 40 DIAB Cc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)c(C)c1 20673277 MRERNNRCZNSLFW-UHFFFAOYSA-N 321.405 4.264 0 40 DIAB CCCc1nc2ccc(NC(=O)Cc3cccs3)cc2s1 22254862 FUSKVUICFNQQSE-UHFFFAOYSA-N 316.451 4.492 0 40 DIAB Cc1cccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 23125437 OHOUBERYFWRBQL-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccccc3)cc2s1 25425830 PBRLHHXPSJESGX-NSHDSACASA-N 311.410 4.044 0 40 DIAB O=C(NCc1cccs1)c1ccccc1Nc1ccccc1 27626208 YPQFNNUUEBBBEB-UHFFFAOYSA-N 308.406 4.422 0 40 DIAB O=C(CCc1ccccc1Cl)N[C@H]1CCCc2ccccc21 29687917 LSBGWGMBNYXGOS-SFHVURJKSA-N 313.828 4.466 0 40 DIAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(F)cc1 33328035 HVGFEXFCCAPXAX-QPEQYQDCSA-N 307.246 4.337 0 40 DIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Cl 38755930 ADPQBQCPGINTBU-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB COc1ccc([C@H]2CCCCCN2Cc2nc(C)c(C)o2)cc1 40158339 YONMCUHZZSEBCY-GOSISDBHSA-N 314.429 4.417 0 40 DIAB CCN(C(=O)Nc1ccccc1OC)[C@@H](C)c1cccc(O)c1 40556387 QESRAJAOVRIZPJ-ZDUSSCGKSA-N 314.385 4.016 0 40 DIAB COC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 57353708 MIOSUQFIHUMQJZ-UHFFFAOYSA-N 315.550 4.149 0 40 DIAB C[C@H]1CCCCN1C(=O)c1cccc(OCc2ccccc2)c1 59843391 ATNTURDTIQVCCS-INIZCTEOSA-N 309.409 4.280 0 40 DIAB CN(CC(=O)N(C1=CCCCC1)C1CC1)[C@@H]1CCc2ccccc21 71794781 MOBUFUJHUCTYCK-HXUWFJFHSA-N 324.468 4.055 0 40 DIAB c1ccc(CN2CCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 72215912 ITOXHFKFWQXLSE-IBGZPJMESA-N 307.441 4.019 0 40 DIAB CC(C)OC(=O)COc1ccc2occ(-c3ccco3)c2c1 96221487 ZSYURRHPLWKQJC-UHFFFAOYSA-N 300.310 4.023 0 40 DIAB biogenic O=[S@](Cc1coc(-c2ccccc2)n1)CC1CCCCC1 96403874 ROARTXXIYGALEN-OAQYLSRUSA-N 303.427 4.171 0 40 DIAB Cc1oc(-c2ccccc2)nc1C[S@@](=O)c1cccs1 96482608 CESXAWFUJULXRW-FQEVSTJZSA-N 303.408 4.019 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2ccc(F)cc2C(C)=CC1(C)C 223223387 PTWAOMYSXCIQQB-INIZCTEOSA-N 305.393 4.471 0 40 DIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)NC1CCCCC1 225757413 AYIWFSIKTOTZHP-MRXNPFEDSA-N 316.445 4.229 0 40 DIAB Cc1cc(OCc2nnc(C(C)C)s2)c2c(C)cccc2n1 418957520 UUWFHQSTIHPDGM-UHFFFAOYSA-N 313.426 4.406 0 40 DIAB C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccoc1 575620395 KHRYCZQTYUGDCW-YBJDMEARSA-N 311.406 4.255 0 40 DIAB CSc1cccc2sc(N3CCC(F)(F)CC3)nc12 1889125138 MQDBQTGTVYKZFM-UHFFFAOYSA-N 300.399 4.254 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OC 116125 FPHHMPKWKHZKEB-VQHVLOKHSA-N 317.772 4.009 0 40 DIAB CC(C)n1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 200822 GUBRWNXUTUHYNA-AWEZNQCLSA-N 307.397 4.108 0 40 DIAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 222299 VUGCORCDDCWGHS-SJORKVTESA-N 324.815 4.386 0 40 DIAB S=c1[nH][n+](-c2ccccc2)c(-c2ccc(Cl)cc2)s1 1698497 NWILPNCFXVUBDG-UHFFFAOYSA-O 305.835 4.403 0 40 DIAB COc1ccccc1NC(=O)Oc1ccc(SC)c(C)c1 1732611 LGXBSXBGVVELGL-UHFFFAOYSA-N 303.383 4.336 0 40 DIAB Clc1ccc(CSc2ncn(-c3ccccc3)n2)cc1 2124121 OILZYNLAPXZVGP-UHFFFAOYSA-N 301.802 4.213 0 40 DIAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3336850 BNCBGONBJJILJV-SSDOTTSWSA-N 313.184 4.089 0 40 DIAB CCC(=O)Nc1ccc(-c2csc(N[C@@H](C)CC)n2)cc1 3346861 KMIOAAYQRMAWTK-NSHDSACASA-N 303.431 4.369 0 40 DIAB CCCc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 3555555 YYUJDZFHKRWYKV-UHFFFAOYSA-N 323.421 4.410 0 40 DIAB C[C@@H](S[C@@H](CC(=O)c1ccccc1)c1ccccc1)C(=O)O 4321786 FTUNWZNRNFJXGG-DYVFJYSZSA-N 314.406 4.207 0 40 DIAB CC(C)CC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 5137302 SDKYVBGSPDNMSA-UHFFFAOYSA-N 322.861 4.168 0 40 DIAB CSc1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1 5222687 GQDKFROLWRVZHV-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB CCN(Cc1ccccc1)Cc1nnc(-c2ccc(C)cc2)o1 5483208 ALGMJGXJYOEPPJ-UHFFFAOYSA-N 307.397 4.067 0 40 DIAB COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=O)oc12 6881553 MWSPKCBEJSRPSV-UHFFFAOYSA-N 318.332 4.107 0 40 DIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1 8049683 DREDMXDYTZQSGV-AWEZNQCLSA-N 307.752 4.275 0 40 DIAB COc1ccc(-c2cc(CSc3nc(C)cs3)on2)cc1 8729007 XSVFBIUAJKESPC-UHFFFAOYSA-N 318.423 4.407 0 40 DIAB Cc1nc(Nc2ccc3cn[nH]c3c2)c2c(C)c(C)sc2n1 8745980 CBBZABBAKIWAIW-UHFFFAOYSA-N 309.398 4.236 0 40 DIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1ccccc1 11058758 JJKAEZLRBDJRSY-UHFFFAOYSA-N 319.408 4.060 0 40 DIAB CCOc1ccc2nc(SCc3ccccc3F)[nH]c2c1 12654231 WVUREBWFYSIQHZ-UHFFFAOYSA-N 302.374 4.393 0 40 DIAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 13930838 ZAMPOVOUOLYNQQ-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CCc1ccccc1 17116225 KMUMDRQKPGGAGT-IRXDYDNUSA-N 310.441 4.377 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3)s2)cc1 18702847 GKHFRVHYBBKEBC-VAWYXSNFSA-N 321.405 4.165 0 40 DIAB CC(C)=CCC[C@@H](C)CN1CCN(Cc2ccccc2)CC1 19633136 NKKQBJDCFWZFFP-LJQANCHMSA-N 300.490 4.187 0 40 DIAB CCC(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691447 AFUBNNORWLTZBW-GOSISDBHSA-N 312.388 4.270 0 40 DIAB CSc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2)cc1 20025685 OOPONQIVRUVKPE-JTQLQIEISA-N 307.365 4.178 0 40 DIAB Cc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)n1 24473303 PRHPRTSAGWLTMT-UHFFFAOYSA-N 320.314 4.002 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 24958031 SOEGLQDJYZWHRL-SJORKVTESA-N 311.425 4.257 0 40 DIAB CCc1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 27740155 MDLFZXWHDFGQRP-UHFFFAOYSA-N 306.365 4.084 0 40 DIAB Cc1cccc(OCCNC(=O)C2(c3ccccc3)CCCC2)c1 29208304 XJIUOJUWHACLDN-UHFFFAOYSA-N 323.436 4.002 0 40 DIAB CC(C)(C)c1noc(CCC(=O)Nc2ccc3ccccc3c2)n1 32644474 ABMVHTSSQQIHFG-UHFFFAOYSA-N 323.396 4.092 0 40 DIAB CCc1cccc2c(C3=CCN(C(=O)CC(C)C)CC3)c[nH]c12 32754297 KJKCZXNVKBFHOU-UHFFFAOYSA-N 310.441 4.392 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(OC(=O)C(C)(C)C)cc2)c1 32988912 SYIXXAUZHSYIJJ-UHFFFAOYSA-N 311.381 4.199 0 40 DIAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2)c2cccnc12 40104669 ORVJZBJAQICRDA-AWEZNQCLSA-N 305.381 4.426 0 40 DIAB O=C(c1cc(Cl)ccc1F)N1CCCc2ccc(F)cc21 40117264 ZZFLNWFEOCZFCQ-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB O=C1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21 40217195 XXTDPCKKDHCVHB-UHFFFAOYSA-N 309.148 4.148 0 40 DIAB O=C(C[C@H]1CCC[C@@H](C(=O)O)C1)c1ccccc1C(F)(F)F 43879483 GQXBAYXYFBWKJZ-WDEREUQCSA-N 314.303 4.169 0 40 DIAB Cc1ccc2c(ccn2CCC(=O)Nc2ccc3cc[nH]c3c2)c1 44900743 RIRHGYSBVDFBHT-UHFFFAOYSA-N 317.392 4.460 0 40 DIAB COc1ccc(NC(=O)Nc2cc(Cl)ccc2F)c(C)c1 51355969 WLHLTCPVNLGPDQ-UHFFFAOYSA-N 308.740 4.440 0 40 DIAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)cc1 59472443 VHQQAOJAIHEJSO-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB CCN(C(=O)c1ccc(SC)nc1)c1cc(C)ccc1C 67970606 AQSBVFGHOHAPCV-UHFFFAOYSA-N 300.427 4.087 0 40 DIAB CCC(C)(C)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 71909290 VQRKKVQHEUSRDW-OAQYLSRUSA-N 309.475 4.109 0 40 DIAB Cc1ccc(NC(=O)N(C2CC2)[C@@H](C)c2cccnc2)cc1C 71921437 WABSWFNLNWMNJW-HNNXBMFYSA-N 309.413 4.456 0 40 DIAB Cc1csc(C2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 72313438 TZAOFBDRLPSITK-UHFFFAOYSA-N 319.405 4.002 0 40 DIAB CC(C)Oc1ccccc1C[S@](=O)Cc1ccccc1F 78556014 VZFAZOWECAAMAA-NRFANRHFSA-N 306.402 4.062 0 40 DIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(C)C)cc1 96659316 NRZYNKAZVMKBGC-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB Cc1nnc([C@H](C)N[C@H](Cc2ccccc2)c2cccs2)o1 97373854 INHKNBYNJYPQLZ-SWLSCSKDSA-N 313.426 4.074 0 40 DIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@H]1C2 106857709 HGRAYTWTPLWEEQ-VVVONTASSA-N 307.437 4.323 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1SC 113969616 MLSIWOQZQZFCQM-HNNXBMFYSA-N 301.411 4.205 0 40 DIAB Cc1cccnc1NC(=S)NCc1ccc(-c2ccccc2)o1 223909723 URLXAUIWZLIRSZ-UHFFFAOYSA-N 323.421 4.137 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2ccc(N3CCCC3)cc2)c1 224923183 ULJBEECAEMOQKY-UHFFFAOYSA-N 308.425 4.085 0 40 DIAB CC[C@@H](C)NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225259964 LEBNCTACLYWHNZ-CYBMUJFWSA-N 307.397 4.067 0 40 DIAB Fc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225851648 YIRYPUWATPDOAX-UHFFFAOYSA-N 304.390 4.175 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C=C4CO)CC[C@@H]12 253389145 XEQHVCXFKPCQNM-FVARLDMKSA-N 318.457 4.013 0 40 DIAB endogenous,in-man C(=C/c1ccccc1)\CN1CCC(c2c[nH]c3ncccc23)CC1 509589521 WWDJKPJNNQHECI-VMPITWQZSA-N 317.436 4.456 0 40 DIAB CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2cncs2)no1 584746951 IESUEVHMDYEPHB-UHFFFAOYSA-N 321.789 4.161 0 40 DIAB COc1cccc(-c2nc(N(C)CC3CC3)c3ccccc3n2)c1 1559074963 MQOQNKSPCYGBGI-UHFFFAOYSA-N 319.408 4.152 0 40 DIAB O=C(NCc1cc(-c2ccoc2)cs1)c1c(F)cccc1F 1775969543 BFEJTJXJDZVXEE-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB COc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2c1 1671654 ZYGKAANTHMYWGD-UHFFFAOYSA-N 313.740 4.262 0 40 DIAB CC(C)n1cnc2cc(NCc3nc4ccccc4n3C)ccc21 2363507 DOSQEJNUTUMEIL-UHFFFAOYSA-N 319.412 4.116 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1cc(C)cc(C)c1 2517689 FOCVVPGZRHVDHF-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(F)cc12 2536646 INPQMFGLMYDYCM-UHFFFAOYSA-N 301.704 4.393 0 40 DIAB O=C(CCn1ccc2ccccc21)N[C@H]1CCCc2ccccc21 3426528 PJBGIJBEORLMLJ-IBGZPJMESA-N 318.420 4.225 0 40 DIAB CC(C)n1c(=S)[nH]c2scc(-c3ccccc3)c2c1=O 4219020 ZQSOZDIRAREZJY-UHFFFAOYSA-N 302.424 4.368 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)nc1 5571117 USOCLWHTFXPFKE-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c(C)c1 6811346 OJYSIJNUFJGJCP-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB COc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1Cl 9355164 VDNGBWTWKYEDTJ-UHFFFAOYSA-N 317.197 4.019 0 40 DIAB Clc1cccc(CSc2nnc(-c3cccnc3)o2)c1 9565068 VEXDPONGFZXFFB-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB Cc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9710904 KUDYDAGNNFOZCM-UHFFFAOYSA-N 311.410 4.269 0 40 DIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2ccccc12 10405293 YRJZYPDNXDVQPH-UHFFFAOYSA-N 319.360 4.140 0 40 DIAB CCOc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 12619247 XYBDTJSEBSGMJR-QGZVFWFLSA-N 313.422 4.049 0 40 DIAB O=C(Nc1ccccc1)N[C@H]1CCSc2c(F)cccc21 12746301 WPPBARBZMRFYRD-AWEZNQCLSA-N 302.374 4.184 0 40 DIAB CC1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 12929431 QVFFVXICUKPJDE-UHFFFAOYSA-N 304.192 4.441 0 40 DIAB CCN(c1ccc(NC(=O)c2ccc[nH]c2=S)cc1)C(C)C 14075727 FWHFZUZSZVLTKN-UHFFFAOYSA-N 315.442 4.231 0 40 DIAB CC(C)(C)CC(C)(C)c1ccc(OCCSC(=N)N)cc1 16889914 KNDOAEXOTXSQAK-UHFFFAOYSA-N 308.491 4.406 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@@H](c2cccs2)CC3=O)cc1 17031765 OEBOXRMPJMUQSP-CYBMUJFWSA-N 308.406 4.155 0 40 DIAB C[C@@H](NCc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 19872188 AIIOQSJZJUEIIZ-BZNIZROVSA-N 310.224 4.205 0 40 DIAB CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccccc2F)c1 20540053 PDROWEQWBZRABH-ZDUSSCGKSA-N 316.376 4.496 0 40 DIAB O=C1c2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]1O 22116395 KVZFTTORFMNPDL-DOMZBBRYSA-N 307.176 4.073 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(OCc2ccncc2)cc1 27578883 VSLFZRCDJYFOQF-UHFFFAOYSA-N 324.424 4.113 0 40 DIAB C[C@H](Nc1ncnc2ccccc12)c1ccccc1OC(F)F 31949158 QFBBNKYRLXOZBH-NSHDSACASA-N 315.323 4.404 0 40 DIAB Cc1nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)sc1C 36420566 ZYXIKPWAWUHPDO-TVQRCGJNSA-N 304.415 4.048 0 40 DIAB CCOc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)C1 38567354 VYNQIHSPXLLAJW-MRXNPFEDSA-N 310.397 4.107 0 40 DIAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/C=C/c1ccco1 65844709 GABUVDOJNOGJCP-SJBOZLQKSA-N 324.767 4.143 0 40 DIAB CC[C@@H](C)c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890722 BTCHVLPCQIFIAZ-SNVBAGLBSA-N 312.373 4.444 0 40 DIAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(Cl)cc3)cn2)C1 72364994 VGTWESRASIJPKF-MRXNPFEDSA-N 314.816 4.128 0 40 DIAB Clc1cnc2oc(-c3ccc(Br)cc3)nc2c1 78406992 YHJRXONJWLHQRK-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB COc1ccc(OC)c(CN(c2nc3ccccc3o2)C2CC2)c1 83925563 AWUCQUPKMJFSPJ-UHFFFAOYSA-N 324.380 4.014 0 40 DIAB Cc1ccccc1[C@@H]1CCCN1C(=S)NCCc1ccccc1 84235496 UVANOXCVGPCKLV-IBGZPJMESA-N 324.493 4.249 0 40 DIAB FC(F)Oc1cccc(-c2noc(-c3ccc(Cl)nc3)n2)c1 89262804 ATLQBFVDFWZMKA-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB CCN(Cc1ccncc1)c1ccc(Br)c(F)c1 95915931 YPLPKTOHBGNDRT-UHFFFAOYSA-N 309.182 4.010 0 40 DIAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)Nc1ccccc1 96182555 MWHRNXWTVWRBOB-UHFFFAOYSA-N 321.424 4.457 0 40 DIAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2)n1 96346406 XKPMXLBHXBADGQ-UHFFFAOYSA-N 307.353 4.112 0 40 DIAB CCCOc1ccc(CCC(=O)c2ccc3c(c2)OCO3)cc1 199737126 LZFPOICGBHGZCA-UHFFFAOYSA-N 312.365 4.020 0 40 DIAB O=C(NCCSCc1ccc(Cl)cc1)Nc1ccccc1 222626362 MMOPZCNUBKVDES-UHFFFAOYSA-N 320.845 4.395 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)cc3)N21 222640197 FYSQPHAGNOBMOX-KBAYOESNSA-N 323.465 4.369 0 40 DIAB COc1ccc(C(=O)COCc2ccccc2)cc1C(F)(F)F 382711757 HNXRPXIMERXERT-UHFFFAOYSA-N 324.298 4.114 0 40 DIAB CC(C)(C)c1ccc(OC(=O)c2ccc3cnncc3c2)cc1 408980794 XPMCOUYDGIEXRH-UHFFFAOYSA-N 306.365 4.147 0 40 DIAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Cl 140165 NNBXZIDLEQWOTH-UHFFFAOYSA-N 304.560 4.372 0 40 DIAB Cc1ccn2c(NC3CCCC3)c(-c3ccc(O)cc3)nc2c1 417898 HFRKIKMHRCRBAA-UHFFFAOYSA-N 307.397 4.370 0 40 DIAB CSc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1 510470 YJSRNTDUGXDIBX-UHFFFAOYSA-N 302.786 4.100 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1c(OC)cccc1OC 560091 IGTPFIIFXSGNAD-ZDUSSCGKSA-N 313.397 4.470 0 40 DIAB N=C(N)Sc1cn(Cc2ccccc2Cl)c2ccccc12 3866091 OVMNPHWMRCLPLS-UHFFFAOYSA-N 315.829 4.329 0 40 DIAB CCCCCC[n+]1ccccc1/C=C/c1ccc2c(c1)OCO2 4118329 ZENXWCHEIUILPV-PKNBQFBNSA-N 310.417 4.454 0 40 DIAB biogenic,in-vitro CCOC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4258292 IWLMQQOBLYFGAJ-UHFFFAOYSA-N 314.425 4.096 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1cc2ccccc2o1 5425852 BGHWHLPABISELT-AWEZNQCLSA-N 309.390 4.400 0 40 DIAB O=C(c1ccccc1CCc1ccccc1)N1CCCCCC1 5603069 IEHVWBSZMBCIEQ-UHFFFAOYSA-N 307.437 4.488 0 40 DIAB CCCc1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 6461856 NODLWPCSGXPZNT-UHFFFAOYSA-N 302.230 4.356 0 40 DIAB CCCOc1ccc([C@@H](CN)c2c[nH]c3ccccc23)cc1OC 6645710 GRZCBPDKMIZUHK-MRXNPFEDSA-N 324.424 4.056 0 40 DIAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(Br)c1 7276304 QIAPFRPDCHOKJW-UHFFFAOYSA-N 323.190 4.121 0 40 DIAB CCOc1ccc(NC(=O)c2cc(CC)c(C)s2)cc1OC 7975371 LNENTIIBLJWGLD-UHFFFAOYSA-N 319.426 4.279 0 40 DIAB CCc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 8083348 LVWQGDFKBDDVNM-BDYZYUDZSA-N 316.470 4.338 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)o1)c1cc2ccccc2o1 10881995 VGHVRCDLMDEPSC-UHFFFAOYSA-N 311.341 4.116 0 40 DIAB O=C(Nc1ccccc1)N[C@@H]1CCSc2c(F)cccc21 12746307 WPPBARBZMRFYRD-CQSZACIVSA-N 302.374 4.184 0 40 DIAB COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 12767480 SVQSPFNVRJUAGE-UHFFFAOYSA-N 314.360 4.031 0 40 DIAB CC(C)(C)n1c(-c2ccccc2)cs/c1=N\Cc1cccnc1 13285711 JDVYNFFOODINAB-UZYVYHOESA-N 323.465 4.468 0 40 DIAB Cc1cc(N)ccc1NC(=O)c1ccc(OCCC(C)C)cc1 19736410 FSKYJYXKKMTNOV-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 20029691 AKEMNIQBQQFCOE-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 21596410 DMCDNLCHXWESRT-UHFFFAOYSA-N 318.829 4.029 0 40 DIAB C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 28907882 HTFSHNXJTVXDLV-SECBINFHSA-N 310.731 4.057 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCCCC2 35671192 LBQGOPCFIWBCAS-UHFFFAOYSA-N 314.212 4.126 0 40 DIAB COc1ccc(Cl)cc1C(=O)N1CCCc2ccc(F)cc21 40117200 CKYMKZVPNGJUOE-UHFFFAOYSA-N 319.763 4.081 0 40 DIAB C[C@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 40412776 OBPFOOAJNMZRDJ-DRXAKDCCSA-N 304.474 4.205 0 40 DIAB Cc1ccc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cc1C 42203746 YUBGQCMHEJHLLO-LJQANCHMSA-N 323.415 4.055 0 40 DIAB O=C(c1ccc(Br)cc1)c1ccc(F)c(Cl)c1 43210030 XSYMBAWHXLZCAZ-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB CCCN(CCC)c1cc(C)c(CNC(=O)OC(C)(C)C)cn1 72223284 MCDIAKRWNDKLFD-UHFFFAOYSA-N 321.465 4.041 0 40 DIAB C[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(C(F)(F)F)cc1 84651528 YSKDCNYJCKYMMV-OCCSQVGLSA-N 323.362 4.130 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NC[C@H](C)c2cccs2)c1 95422754 DKQYXICNERAQJL-STQMWFEESA-N 302.443 4.161 0 40 DIAB CC(=O)N(Cc1ccc(NCc2sccc2C)cc1)C(C)C 95429194 XPGSRHWXJNSYIT-UHFFFAOYSA-N 316.470 4.426 0 40 DIAB CCCCCc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)O)CC2)cc1 100590087 YZWXIGMTNZJLRT-QAQDUYKDSA-N 302.414 4.493 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107327575 SVVAMOLHOWXEKZ-PCODUJHASA-N 313.441 4.185 0 40 DIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NC(C(C)C)C(C)C 113970830 ZFZPKLASAWUQSI-QGZVFWFLSA-N 305.462 4.258 0 40 DIAB C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 223249419 WLASYLNPEZJHSM-CYBMUJFWSA-N 313.828 4.249 0 40 DIAB Cc1ccc(OCCNC(=O)c2ccccc2Cl)cc1Cl 224115660 NTEKBYMELJJVRZ-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB CCC[C@@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225381721 GVIAOYCCWXDWTD-SNVBAGLBSA-N 315.280 4.233 0 40 DIAB C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 227109486 VUEZNONIYWVUJQ-IAGOWNOFSA-N 322.452 4.413 0 40 DIAB O=C(O)Cc1cscc1Nc1c(Cl)cccc1Cl 1346 AELILMBZWCGOSB-UHFFFAOYSA-N 302.182 4.426 0 40 DIAB in-man CCn1c(CSc2nc3ccccc3n2C)nc2ccccc21 120240 HBEOXHJIXRVGHQ-UHFFFAOYSA-N 322.437 4.235 0 40 DIAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc2ccccc12 315792 SYNSWMIOHVBZPT-LDADJPATSA-N 317.319 4.323 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccc2cccnc12 1094356 PWDTXJJCWLYPRC-ZFWWWQNUSA-N 314.454 4.022 0 40 DIAB CCCCc1ccc(NC(=O)C2SCSCS2)cc1 1810527 LZTFYPPIKLLIHD-UHFFFAOYSA-N 313.513 4.422 0 40 DIAB O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CC=CC1 2515907 SYAKMFBMKXXCOD-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB CCc1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 3495866 KIRCBOQOKRONSX-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB Cc1ccccc1-n1c(S)nnc1-c1c[nH]c2ccccc12 3885793 ZNBTVMZJTGWTPC-UHFFFAOYSA-N 306.394 4.013 0 40 DIAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccccc2)o1 4475496 HIPPCUVOAYFDNA-SECBINFHSA-N 301.198 4.023 0 40 DIAB CCCCN(C(=O)CC)c1nnc(-c2cccc(C)c2)s1 4982518 VJUDADSEMZMMRP-UHFFFAOYSA-N 303.431 4.057 0 40 DIAB C[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1 5534719 WOSYBQOLZHTIIG-INIZCTEOSA-N 305.830 4.415 0 40 DIAB CC(C)CCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 6295024 NAYUFDKNQOJCNA-SNVBAGLBSA-N 322.499 4.291 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C(=O)NC1CC1)c1ccccc1 6988746 HWRORGSKCBTXNN-QGZVFWFLSA-N 315.800 4.047 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 7402036 OJCXLBAEHPBWNZ-UHFFFAOYSA-N 309.818 4.093 0 40 DIAB O=C(Nc1cccc(F)c1)c1csc(-c2ccsc2)n1 7944946 SZLDVBKQXOWLDG-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB O=C(Nc1ccc(F)cc1)c1occc1COc1ccccc1 8749126 UZZIXIIQCWULJD-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccccc1 9754299 CECVOZOHLKGJQO-QFBILLFUSA-N 311.425 4.358 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(OC(C)C)c1 10715468 ZFEMKQWFOJJHGD-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1 13001193 YZRJKCGZTODABE-LBPRGKRZSA-N 315.363 4.335 0 40 DIAB O=C(NCC1(c2cccs2)CCCC1)c1cccc(F)c1 13803132 OPMINPQLWVBUEZ-UHFFFAOYSA-N 303.402 4.129 0 40 DIAB COc1ccccc1[C@H](C)NC(=S)Nc1ccc(Cl)cc1 16317344 ZHDGXJHKBWCGFC-NSHDSACASA-N 320.845 4.396 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@H]2c2cccc(Cl)c2)s1 19927565 PFXYOOGPKLQLML-RNCFNFMXSA-N 324.858 4.272 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C)c(C)c1 20111137 ZJUCBORLFWJIMG-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB O=C1c2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]1O 22008332 KVZFTTORFMNPDL-IUODEOHRSA-N 307.176 4.073 0 40 DIAB Cc1nccc(-c2cccc(NC(=O)/C=C/c3ccccc3)c2)n1 32026097 SXSZIJFMMGRZNY-ZHACJKMWSA-N 315.376 4.104 0 40 DIAB O=C(Nc1ccc2ccccc2n1)c1ccccc1OC(F)F 32731968 OBOQWPDDYRFFKM-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB CSCCC(=O)Nc1nc2ccc3ccccc3c2s1 32902951 YIEBSIAEMNNYKH-UHFFFAOYSA-N 302.424 4.141 0 40 DIAB Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1 40087992 AAWDOZXXASTKHS-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB Cc1cc(NC(=O)N(C)Cc2ccco2)ccc1Br 40097452 IDABVKSDPZFCIU-UHFFFAOYSA-N 323.190 4.014 0 40 DIAB c1ccc2c(N3CCCCCC3)nc(NC3CCCC3)nc2c1 41149506 FNGZRXFEGTUWAI-UHFFFAOYSA-N 310.445 4.365 0 40 DIAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccsc2)o1 43723073 DRYYPKVFFYYVHB-JSGCOSHPSA-N 304.415 4.257 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)C1CCCCC1 44947983 REFADBGHFRNPNP-KRWDZBQOSA-N 303.446 4.252 0 40 DIAB CCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2CC)c1 45889270 AWVZMCNTZAPNEO-UHFFFAOYSA-N 312.413 4.181 0 40 DIAB O[C@@H](CN1CCC[C@H]1c1ccccc1)c1ccccc1Cl 46037255 OZDUOFPLUCZIBS-ROUUACIJSA-N 301.817 4.211 0 40 DIAB Cc1cc(CNC(=O)Cc2ccc(SC(C)C)cc2)c(C)o1 70640393 KWWGWXIOEGIHCP-UHFFFAOYSA-N 317.454 4.256 0 40 DIAB COC(=O)N(C)c1ccc(N[C@@H](C)c2ccccc2F)cc1 71902585 SQSMIKLIBSHGLQ-LBPRGKRZSA-N 302.349 4.201 0 40 DIAB c1ccc(CN2CCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 72213827 JQPQSDYOYABOCB-LJQANCHMSA-N 307.441 4.383 0 40 DIAB CCO[C@]1(C)Nc2ccc(Br)cc2N1C(C)(C)C 95629694 MAFRHHOYEOYANK-CQSZACIVSA-N 313.239 4.190 0 40 DIAB O[C@H](c1cccc(Br)c1)c1ccc(F)c(Cl)c1 95730180 FJAHBUUCLQFXTN-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB CCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)ns1 199566561 KTUVXHMZSFAULS-UHFFFAOYSA-N 310.378 4.049 0 40 DIAB Cc1cc(C)cc(OCC(=O)NCc2cccc3ccccc23)c1 222858128 DJGBIDZEBPTIKA-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CCC[C@@H](C)NC(=S)Nc1ccc(Br)cc1F 225382507 NWVNWQTXOJXLEM-MRVPVSSYSA-N 319.243 4.063 0 40 DIAB Cc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225840831 XCAMGBINONEPIA-UHFFFAOYSA-N 300.427 4.344 0 40 DIAB O=C(OCc1ccccc1)c1cccnc1OCc1ccccc1 504783798 LKDHVTSKZQFZTI-UHFFFAOYSA-N 319.360 4.018 0 40 DIAB Fc1ccc(OCc2ccccc2Br)c(F)c1F 575356866 HUZFEOKPGFHFIR-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB COc1ccccc1OCc1nc2ccccc2n1CC(C)C 92279 MMVCPPJJQVEASU-UHFFFAOYSA-N 310.397 4.280 0 40 DIAB Cc1cccc2nc(COc3ccc(Cl)c4cccnc34)cn12 125984 FDZFHDXFBLAFRJ-UHFFFAOYSA-N 323.783 4.423 0 40 DIAB O=C(c1csc(Nc2cccc3ccccc23)n1)N1CCCC1 819414 DNUPGYFFNHCZTR-UHFFFAOYSA-N 323.421 4.276 0 40 DIAB CC(C)Sc1ccc(C(=O)Nc2ccc(F)cc2F)cn1 1400339 JJJUYBQCDVHCFY-UHFFFAOYSA-N 308.353 4.113 0 40 DIAB CCn1c(SCCOc2ccccc2F)nc2ccccc21 2088817 IVVZSVKCBFYODY-UHFFFAOYSA-N 316.401 4.366 0 40 DIAB CCOC(=O)c1cccc(C(=O)CCc2cccc(Cl)c2)c1 2517223 FNJMBCOVBJYVFV-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB CCOc1ccccc1NC(=O)COc1cc(C)ccc1Cl 3494296 XZNXDMHGBRZGRI-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB Cc1cc(C)c(-c2nnc(NC(=O)C(C)(C)C)s2)c(C)c1 4070329 OVAMSAGPVUYDIW-UHFFFAOYSA-N 303.431 4.115 0 40 DIAB Cc1nc2c(ccc3nc(NC(=O)c4ccco4)sc32)s1 4173998 YNBXMEZFIRBNEM-UHFFFAOYSA-N 315.379 4.060 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 4694496 LPGQSNRXUBEFHP-HNNXBMFYSA-N 318.461 4.227 0 40 DIAB Cc1ccc(CSCC(=O)Nc2ccc3c(c2)CCC3)cc1 7094423 AVAMFLGMXSMVHT-UHFFFAOYSA-N 311.450 4.356 0 40 DIAB O=C(OCc1cccnc1)C1c2ccccc2Oc2ccccc21 7951707 JQWFNNIQRMATMQ-UHFFFAOYSA-N 317.344 4.063 0 40 DIAB C[C@H]1CCC[C@@]2(C1)NC(=S)c1c(sc3c1CCCC3)N2 8680919 ZTOTWGKXKZHRDV-MGPLVRAMSA-N 306.500 4.224 0 40 DIAB aggregator O=C(Nc1nc2c(s1)CCC2)c1cc2ccccc2s1 12852454 JKMZIFLIUNKSLZ-UHFFFAOYSA-N 300.408 4.099 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 13668244 YLBGZMLDRLDUEK-LSDHHAIUSA-N 311.450 4.453 0 40 DIAB CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 13670255 IQYAHVARRMNMBG-UHFFFAOYSA-N 303.789 4.162 0 40 DIAB C[C@H]1CCCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1 14113716 AKQPUYYGJWUEHN-LBPRGKRZSA-N 321.346 4.399 0 40 DIAB Cc1csc(N(C(=O)c2c(C)noc2C)c2ccccc2)n1 14586624 YUAWGLALDUTFDW-UHFFFAOYSA-N 313.382 4.035 0 40 DIAB Cc1cc2ncn(CN(C)Cc3ccc(Cl)s3)c2cc1C 18898549 QDGCFFGFMMLDNQ-UHFFFAOYSA-N 319.861 4.458 0 40 DIAB CCSc1ccccc1NC(=O)COc1ccccc1Cl 20482316 BEOGYHBTHPOWRG-UHFFFAOYSA-N 321.829 4.470 0 40 DIAB COc1ccc(-n2nc(Cl)nc2-c2ccccc2Cl)cc1 22125928 QNAIQFDHVABWMA-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)N1CCOc2ccccc21 24586261 IIHZCTLVXHEXNS-UHFFFAOYSA-N 308.164 4.033 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCc2ccccc21 30753459 QQCYZOVGJBNQRZ-FQEVSTJZSA-N 323.436 4.440 0 40 DIAB COc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1OC 60386873 JZVDMRATAJBVCW-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB COc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1 71416010 GKSTYSPLFFWIEG-SFHVURJKSA-N 313.422 4.091 0 40 DIAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)c1ccccc1 72265341 PRPHEKJYMPTQNZ-UHFFFAOYSA-N 306.409 4.066 0 40 DIAB O=C(CCc1cscn1)N1CCCC2(CCCCCC2)C1 76067175 UOPSQIKNUNFYRJ-UHFFFAOYSA-N 306.475 4.039 0 40 DIAB O=C(c1ccccc1C(F)(F)F)c1ccnc2ccccc12 83309404 KGVCEUSAXRYUKQ-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB CCc1oc2ccccc2c1CNc1cccc(-c2nc[nH]n2)c1 83817475 RUFZNWYIJLPVHA-UHFFFAOYSA-N 318.380 4.392 0 40 DIAB Clc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 84343483 RJOWDVFJYDYGEY-OAHLLOKOSA-N 323.223 4.042 0 40 DIAB C[C@@H]1CSC(SCc2cc(F)ccc2Br)=N1 89523452 HIHCXDLVSASAOZ-SSDOTTSWSA-N 320.252 4.313 0 40 DIAB C[C@@H]1C[C@H]2[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 118930581 OBPFOOAJNMZRDJ-GMLCKNDLSA-N 304.474 4.205 0 40 DIAB CCOc1cccc(NC(=O)CSCc2cccc(C)c2)c1 222742218 SQAONIAHCVXFGS-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645851 IATVAZIPURPISL-KUHUBIRLSA-N 319.445 4.234 0 40 DIAB Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl 226347136 UISNAXNVXABCPA-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB O=C1S/C(=C/c2ccoc2)C(=O)N1c1ccc(Cl)cc1 409190079 VWCASEGJCUIYQZ-KPKJPENVSA-N 305.742 4.174 0 40 DIAB Cc1cn(CCCNc2ccccc2-c2ccc(F)cc2)cn1 1384259384 GKLQJZRXGKCXRX-UHFFFAOYSA-N 309.388 4.500 0 40 DIAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 424092 NZLOHUVEULHDHZ-INIZCTEOSA-N 303.814 4.427 0 40 DIAB Clc1ccc2[nH]c3c(NCCc4ccccc4)ncnc3c2c1 546079 SRFIDZHPVYKPSF-UHFFFAOYSA-N 322.799 4.419 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 1426121 JEQYTCCZYXMJHY-UHFFFAOYSA-N 301.415 4.147 0 40 DIAB Cc1cccc(NC(=O)COc2cccc3ccccc23)c1C 3386298 KNJRWXLOMMIMIQ-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB Cc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(F)c1 4455273 FPXARWYHVYYGAY-MRXNPFEDSA-N 316.401 4.414 0 40 DIAB Cc1nc(Nc2ccc(N(C)C)cc2)c2oc3ccccc3c2n1 5163188 DJZRZEQVMYLADY-UHFFFAOYSA-N 318.380 4.494 0 40 DIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1Cl 5670956 ITNXRBHKSASFQC-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB O=C(O)/C=C/c1cccc(NC(=O)c2cccc3ccccc23)c1 5777473 GIWIJPFDAXFBOI-VAWYXSNFSA-N 317.344 4.190 0 40 DIAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1OC 5978795 CRWCCEIBSOKNAY-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccccc1 6938767 XOKFRFXYBFJWIF-INIZCTEOSA-N 300.427 4.133 0 40 DIAB CCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 7070142 RXGZGSQNINLFCZ-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC(C)(C)O3 9485405 FTRQJBATBICQRJ-UHFFFAOYSA-N 314.381 4.188 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)c3cccnc3)n2)cc1C 9727678 NVEMWROHFGGNNI-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1F 12757381 QEIYBZPXXJFBPZ-ZDUSSCGKSA-N 310.372 4.117 0 40 DIAB Cc1cc(Br)ccc1NC(=O)Cc1ccccc1F 15649752 LJDCPGXJXDEXIU-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB CC(C)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 16126955 LTOSPHBCVZZMIO-VAWYXSNFSA-N 301.411 4.223 0 40 DIAB c1ccc(N[C@@H]2[C@H](Nc3ccccc3)N2c2ccccc2)cc1 17746818 MWMUNXPTBJFBNY-DETIRCLXSA-N 301.393 4.383 0 40 DIAB biogenic O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2CCCC2)cc1 23011073 LWZXHHIXTKMKSL-UHFFFAOYSA-N 323.396 4.459 0 40 DIAB CC(C)c1nnc2sc(-c3cc(Cl)cc(Cl)c3)nn12 32090767 RXKPPFMWWOACOG-UHFFFAOYSA-N 313.213 4.283 0 40 DIAB c1ccc2c(c1)OCC[C@@H]2Nc1ncnc2sc3c(c12)CCC3 35684553 BXMZTTJQYCKVLE-ZDUSSCGKSA-N 323.421 4.116 0 40 DIAB Cc1cc(C)c(-c2csc(NC[C@@H]3CCCO3)n2)cc1C 58785147 GBPQFEWVCQLGKC-AWEZNQCLSA-N 302.443 4.326 0 40 DIAB COCc1cccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 58895097 VZJFORBVQIRCBH-CYBMUJFWSA-N 324.380 4.462 0 40 DIAB c1ccc2c[n+](CCOc3cccc4ccccc34)ccc2c1 65012652 KUAIUAOVPDKAFA-UHFFFAOYSA-N 300.381 4.360 0 40 DIAB CN(C(=O)CC(C)(C)C)[C@H](c1cccc(F)c1)c1ccccn1 71185805 REBAGCACMDABFM-GOSISDBHSA-N 314.404 4.205 0 40 DIAB COc1ccccc1[C@@H](C)N(C)Cc1csc([C@@H](C)OC)n1 72310603 VQUWMANJTMOBDI-CHWSQXEVSA-N 320.458 4.052 0 40 DIAB Brc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)cc1 85394467 BJTQABVGRQECFZ-DOTOQJQBSA-N 316.242 4.342 0 40 DIAB O=C(c1cccc(Cl)c1)c1ccccc1OC(F)(F)F 95917446 MJSBOFUIEBEXBZ-UHFFFAOYSA-N 300.663 4.470 0 40 DIAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C(C)C)oc12 100676455 YYDIPHOHIPXSRY-UHFFFAOYSA-N 321.376 4.363 0 40 DIAB Cc1sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)nc1-c1ccccc1 102088459 WMELCSMTMPPVOB-YUELXQCFSA-N 312.438 4.493 0 40 DIAB O=C(c1ccccc1Cl)N1CCS[C@H](c2ccco2)CC1 207006680 DVRGLNAWAWRJRB-HNNXBMFYSA-N 321.829 4.253 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccccc1 222943467 GBKKXZHNLAEDIX-FUHWJXTLSA-N 311.425 4.338 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2cc(C)ccc2C)c1C 224704602 AOTSNCNHVCXAFN-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CC(C)(C)c1ccccc1O[C@H](Cc1ccccc1F)C(=O)O 225050828 PTSMTUPAOFEDOL-QGZVFWFLSA-N 316.372 4.198 0 40 DIAB CCOc1ccccc1C[C@H](Sc1ccc(C)cc1)C(=O)O 225105539 PHXKNTXGEYUANP-KRWDZBQOSA-N 316.422 4.182 0 40 DIAB CCCCO[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225140520 HFCJWCLADSNKKE-GOSISDBHSA-N 314.381 4.291 0 40 DIAB O=C(NCc1cccnc1)N(c1ccccc1)c1ccccc1 152070 HQFANCNVYINCHX-UHFFFAOYSA-N 303.365 4.130 0 40 DIAB CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 289479 DPFMDPXSJVNVSW-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB CCOc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1 819061 RAOIXTUCEXXDNV-UHFFFAOYSA-N 307.397 4.098 0 40 DIAB Clc1ccc2c(NCCNC3CCCCC3)ccnc2c1 1683221 IUBMTYVIPGXROV-UHFFFAOYSA-N 303.837 4.222 0 40 DIAB in-vitro CCCNCCCCCCNc1cc(OC)cc2cccnc12 1733782 JWNUULHXXQJOII-UHFFFAOYSA-N 315.461 4.215 0 40 DIAB Cc1cccc(N2N[C@]3(C[C@H](C)CC(C)(C)C3)NC2=S)c1C 1827330 CQWYOQVERMSPIX-XIKOKIGWSA-N 317.502 4.045 0 40 DIAB CC1(C)COC(CCCCC(=O)c2ccc(F)cc2F)OC1 2518080 HBIWCUSMBCYANE-UHFFFAOYSA-N 312.356 4.107 0 40 DIAB O=C(CCc1ccccc1)OCCCC(F)(F)C(F)(F)F 2885671 DNLJLPKHKPNCSG-UHFFFAOYSA-N 310.262 4.140 0 40 DIAB O=C(Cc1ccc(Cl)cc1Cl)NC1CCCCCC1 3613283 BLWIPGHFZSFBJT-UHFFFAOYSA-N 300.229 4.375 0 40 DIAB O=C(Oc1cc(Cl)cc(Cl)c1)c1ccnc(Cl)c1 4280873 OIJHSFGUDXBBLH-UHFFFAOYSA-N 302.544 4.261 0 40 DIAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)C(C)C)cc12 4340704 FAADJBUTLQZHDP-UHFFFAOYSA-N 322.360 4.330 0 40 DIAB biogenic CCOc1ccccc1Nc1nnc(SCC(C)C)s1 4843441 KCGLRSKLDBCRMS-UHFFFAOYSA-N 309.460 4.429 0 40 DIAB CCCCOc1ccc(Cn2c(=O)sc3ccccc32)cc1 5014107 CIKCRMYQOQLASG-UHFFFAOYSA-N 313.422 4.290 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(F)c1 5380138 FPJXGEKKFJMQPP-UHFFFAOYSA-N 301.361 4.141 0 40 DIAB Cc1ccc(NC(=O)/C=C2\NC(C)(C)Cc3ccccc32)c(C)c1 5542320 VTLKAZGBSOITSJ-UNOMPAQXSA-N 320.436 4.207 0 40 DIAB O=C(NCCCc1ccccc1)Nc1cccc(C(F)(F)F)c1 6864148 GPBHPOCNIHVVBJ-UHFFFAOYSA-N 322.330 4.460 0 40 DIAB Cc1cc(C)c2nc(NC(=O)Cc3cccs3)sc2c1 6903393 MUSDJZYXOYEFRI-UHFFFAOYSA-N 302.424 4.156 0 40 DIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(F)ccc2s1 6971298 MAFDZSJOIRRQGS-UHFFFAOYSA-N 311.341 4.169 0 40 DIAB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)c1ccccc1 7037015 QQDHZVDUQSXRRF-SFHVURJKSA-N 311.425 4.277 0 40 DIAB CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 7262405 QORKZEPUUHYODP-UHFFFAOYSA-N 319.832 4.427 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2cccc(C)c2)c(OC)c1 8326718 MKZOZFRNCFMONH-INIZCTEOSA-N 313.441 4.471 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)NC1CCCCCCC1 8478226 GZQDPIVVMMCJRN-MRXNPFEDSA-N 319.445 4.082 0 40 DIAB CC1(C)CCc2c(c(Cl)cc3c4c(c(=O)oc23)CCCC4)O1 11867367 PBNPYAUTNXUBTA-UHFFFAOYSA-N 318.800 4.429 0 40 DIAB Cc1cc(C)c(S(=O)(=O)NCCC2CCCCCC2)c(C)c1 13675586 OVXXJRLBGLMXPH-UHFFFAOYSA-N 323.502 4.251 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)NCc1ccsc1 13698088 SGHIGTGYDGOMNH-UHFFFAOYSA-N 311.406 4.230 0 40 DIAB O=C(/C=C/c1cccs1)Nc1ccc(OC(F)(F)F)cc1 14117599 AFTWRMOQLJMUOM-BQYQJAHWSA-N 313.300 4.299 0 40 DIAB Cc1ccc(SCCCn2c(=O)[nH]c3ccccc32)cc1C 15279251 JGWWCXKGKOCZRZ-UHFFFAOYSA-N 312.438 4.129 0 40 DIAB CCc1ccc(-c2nc(C)c(C(=O)NCC(C)C)s2)cc1 17128316 HBVYEVVCODASAO-UHFFFAOYSA-N 302.443 4.067 0 40 DIAB Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 20221030 HSNLMZPYTKGPLE-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCCCc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 25052638 YACGAOPMTYMVKA-GOSISDBHSA-N 312.388 4.252 0 40 DIAB C[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@@H](C)O1 25747940 VDYRINLHVJBFDA-VXGBXAGGSA-N 322.861 4.073 0 40 DIAB Cc1cccnc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 27649923 NBZQRRWKVAQICT-UHFFFAOYSA-N 305.381 4.002 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cl)s1 29170507 KYKBZMKPWCCJCB-UHFFFAOYSA-N 318.829 4.132 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc3c4c(cccc24)CC3)o1 36714373 WWKVLRBWLYQSML-UHFFFAOYSA-N 305.377 4.112 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1 40074648 WQJVCNXQQXFPQK-SNVBAGLBSA-N 309.818 4.291 0 40 DIAB CN(C(=O)Nc1ccc(F)c(F)c1)[C@H]1CCc2ccccc21 40097591 ACNPGIBJVNHZAW-INIZCTEOSA-N 302.324 4.116 0 40 DIAB C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc2ccccc2c1 44563786 DWNNJLXALCHZGE-LBPRGKRZSA-N 315.369 4.054 0 40 DIAB O=C(Nc1ccncc1)N1CCC[C@@H]1c1nc2ccccc2s1 56498187 OMTMSUMNIQTTMJ-CQSZACIVSA-N 324.409 4.060 0 40 DIAB CC(C)=CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979501 RVTXHMMKGHCRDB-UHFFFAOYSA-N 318.760 4.090 0 40 DIAB CCOc1ccc(-c2nnc(-c3ccc(OCC)cc3)o2)cc1 73634446 URQMYKOJHGUDIL-UHFFFAOYSA-N 310.353 4.201 0 40 DIAB c1ccc(-c2nnc(CN(CC3CC3)C3CCCCC3)o2)cc1 84569182 CMGOHPBSSLNKBP-UHFFFAOYSA-N 311.429 4.281 0 40 DIAB O=C(CC1CCCC1)N(CCc1cccs1)Cc1ccoc1 90612284 SQHTZSLPFIQMAT-UHFFFAOYSA-N 317.454 4.493 0 40 DIAB C[C@@]12C[C@H](NC(=O)N1c1cccc(Cl)c1)c1ccccc1O2 100851689 JFOXHAYEZIEUTA-WMLDXEAASA-N 314.772 4.110 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nncc3ccccc13)C2=O 100928249 XJNZKZAAIBPJHU-DDUZABMNSA-N 312.438 4.116 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCc1ccnc(Cl)c1 143110298 CLCDRHPRXCCFJK-CYBMUJFWSA-N 310.825 4.067 0 40 DIAB C[C@H](OCC(F)(F)F)c1noc(-c2ccccc2Cl)n1 585120254 BVANNJSJTHTYIU-ZETCQYMHSA-N 306.671 4.030 0 40 DIAB Nc1cccc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250199 CKXYHMZEUHIQLJ-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 38952 WHSPCPLIGZAUEW-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(C)c(Br)c2)c1 125572 UMSWBUHOLKLCQC-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c(C)c1 364847 HEZCTCKMWQGMON-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB Cc1cc2cc(CNC(=O)Nc3cccc(Cl)c3)ccc2[nH]1 429830 UGRXJAUGEVYWEW-UHFFFAOYSA-N 313.788 4.451 0 40 DIAB Cc1cc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)no1 506040 QIFTZHYAUPKBTG-IBGZPJMESA-N 318.380 4.369 0 40 DIAB COC(=O)/C=C/c1ccc2noc(-c3ccc(Cl)cc3)c2c1 543574 OBDRTEKNFJWXJM-YCRREMRBSA-N 313.740 4.334 0 40 DIAB Cc1cc2nc(-c3ccccc3Cl)cc(C(F)(F)F)n2n1 1394531 QUUVPVIFXFXTKZ-UHFFFAOYSA-N 311.694 4.377 0 40 DIAB CCCCN(c1ccc(C)c(C)c1)c1nc2ccccc2[nH]c1=O 3327437 OIWSEZBFKDRRBR-UHFFFAOYSA-N 321.424 4.478 0 40 DIAB CCOC(=O)C1CCN(C2c3ccccc3-c3ccccc32)CC1 3342799 OORFILPJVVLUKZ-UHFFFAOYSA-N 321.420 4.032 0 40 DIAB Cc1ccc(CSC2=NCCN2C(=O)C2CCCCC2)cc1 4120348 UUVSCYBFIJGLNI-UHFFFAOYSA-N 316.470 4.007 0 40 DIAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NC(C)(C)C)cc1 4691193 IQWITJPSBADRDD-AWEZNQCLSA-N 318.461 4.080 0 40 DIAB COc1ccc(C)cc1NC(=O)Nc1cn(C)c2ccccc12 5265857 BZXZYKYIOCTGJN-UHFFFAOYSA-N 309.369 4.139 0 40 DIAB Cc1ccc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 6231856 YNJFJZSKXDCESV-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2F)cc1C 8076677 RXMZKQXMOLARKH-UHFFFAOYSA-N 317.335 4.183 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2ccccc2F)c(OC)c1 8326723 ZQTDSFRKPZBAQS-AWEZNQCLSA-N 317.404 4.301 0 40 DIAB O=C(CCc1cccs1)Nc1ccnn1C1CCCCC1 9498358 KMUIWTPFQNWEOZ-UHFFFAOYSA-N 303.431 4.021 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(F)ccc1C)C2 11425934 ITJBAJCOWPAUGM-INIZCTEOSA-N 301.386 4.098 0 40 DIAB O=C(O)/C=C\c1ccc(OCc2c(F)cccc2Cl)cc1 11801227 IQKGJSMNIONIGP-TWGQIWQCSA-N 306.720 4.156 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Sc3nccn3C)cc2)cc1 12627297 QFDNIPQCOZFFQA-UHFFFAOYSA-N 323.421 4.132 0 40 DIAB CSc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701207 GDNUFMOFODZYRI-UHFFFAOYSA-N 323.421 4.155 0 40 DIAB Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=O)CC(C)(C)C2 16740297 YQWSJBWXMBVOSQ-UHFFFAOYSA-N 311.381 4.020 0 40 DIAB CCCCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C 19798453 QTHAUWJPWFOHHC-OHQAAIJDSA-N 314.473 4.355 0 40 DIAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1 20632656 WPBVTDDMAHDZDS-MRXNPFEDSA-N 302.377 4.093 0 40 DIAB C[C@@H](Sc1ncc2ccccn12)C(=O)c1c[nH]c2ccccc12 26371637 HHUSOPROLBQDTC-GFCCVEGCSA-N 321.405 4.179 0 40 DIAB Cc1ccc(C2=NSC3=NCC(C4CCCCC4)=NN32)cc1 28534612 DOZPPRWCPZUXCJ-UHFFFAOYSA-N 312.442 4.011 0 40 DIAB O=C(Nc1ccccc1OC(F)F)C1C2CC3CC(C2)CC1C3 32727165 PXEFAXITKLZODQ-UHFFFAOYSA-N 321.367 4.299 0 40 DIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1 32768107 OSCYQWMLADCVCU-UHFFFAOYSA-N 320.392 4.457 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2cccc3ccccc23)c1 38756278 CUQAJAMNPYEAFZ-CQSZACIVSA-N 321.376 4.254 0 40 DIAB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccccc1 44842551 VIEJBIIEYFMCNH-GOSISDBHSA-N 313.466 4.496 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1F 44899746 LVVZNRXQCNNCIB-INIZCTEOSA-N 301.361 4.239 0 40 DIAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 47338994 BZWVXKUKVMYEHI-GFCCVEGCSA-N 317.820 4.135 0 40 DIAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1Cl 59408996 NZKQJVQNXMUVDT-MRXNPFEDSA-N 318.829 4.436 0 40 DIAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 73269783 LGHGKIRJBRFAOA-GFCCVEGCSA-N 320.820 4.232 0 40 DIAB Cc1nc(COc2ccc(Oc3nccs3)cc2)oc1C 75104966 VWLFMKYUTDYHRL-UHFFFAOYSA-N 302.355 4.119 0 40 DIAB CO[C@H](C)c1nc(CN2C(=O)c3cccc4cccc2c34)cs1 78990481 HDKZYRRRGLYHMC-LLVKDONJSA-N 324.405 4.164 0 40 DIAB C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1cc2ccccc2o1 90541947 DSIBYAMNVHUIGR-DHSIGJKJSA-N 317.454 4.138 0 40 DIAB C[C@H]1CC(C(=O)NC(C2CCCC2)C2CCCC2)C[C@H](C)O1 94156118 HGBNLGFRBMUKIP-KBPBESRZSA-N 307.478 4.055 0 40 DIAB COC(=O)[C@@](F)(c1ccc(-c2ccccc2)cc1)C(F)(F)F 98174817 XWNZNFPGTHXSOE-HNNXBMFYSA-N 312.262 4.254 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113950943 CTZNUJIBAUPQPV-JRJVTICQSA-N 323.436 4.302 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(OC)c2)cc1 113968882 GVQQOSDKEKPSJF-SFHVURJKSA-N 313.397 4.054 0 40 DIAB C[C@@H](Sc1nncs1)c1cccc(Br)c1 154110358 KFOAJBDWGKHCHY-SSDOTTSWSA-N 301.234 4.154 0 40 DIAB COc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223260584 ICDRNKYSCZOHBH-ZDUSSCGKSA-N 310.397 4.067 0 40 DIAB Cc1cc(C)cc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225061010 WORVYPAVAWMHLF-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB COC(=O)C[C@H]1COc2c1cc(C(C)(C)C)cc2C(C)(C)C 585656376 OQSWGGNBBDCUQC-LBPRGKRZSA-N 304.430 4.321 0 40 DIAB CC(=O)CCn1c(SC2CCCCC2)nc2ccccc21 29059 DUYBMGRSCGNTMU-UHFFFAOYSA-N 302.443 4.440 0 40 DIAB Cc1ccc2nc(-c3cccnc3)c(NC3CCCCC3)n2c1 417868 MSAMYZZCDZWSEE-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB COC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 484165 VCUFFWLXXIMLCC-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB CCC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12 560781 WSBBBBVWFYWJQT-UHFFFAOYSA-N 320.392 4.181 0 40 DIAB Cc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)o1 2109684 KSIOCLDAHJHVIW-ZAHGZRRWSA-N 322.408 4.456 0 40 DIAB biogenic CC[C@@H]1CCCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 4681923 CNFUMFHSMAYSHB-CQSZACIVSA-N 309.837 4.289 0 40 DIAB CO[P@@](=O)(/C=C/c1ccccc1)[C@@H](O)c1ccc(F)cc1 4897657 XBRSJZRDJLPUJU-YCZVXOAYSA-N 306.273 4.412 0 40 DIAB CCc1ccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)cc1 5034417 NWNXQOQXISXLBL-FMIVXFBMSA-N 305.377 4.220 0 40 DIAB Cc1ccc(C)c(OCCC(=O)Nc2cc(F)ccc2C)c1 6390170 ROXGZYQNSGXDEL-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(CC)cc2)cc1 7223041 SHMFXFVGONWXMU-AWEZNQCLSA-N 312.413 4.087 0 40 DIAB CCC(C)(C)NCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 7785998 MLYRCFYQEOICTJ-UHFFFAOYSA-N 323.651 4.364 0 40 DIAB CC[C@@H](C)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 7969380 YITIZNZCPDTEMD-DNVCBOLYSA-N 311.425 4.141 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)/C=C/c2ccccc2)cc1C 7977000 JRMGKGIOKBEYLC-YBHKSSGVSA-N 308.377 4.131 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 8944230 FIGQWLLJTIYIAZ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(F)c1 9515993 DIWHGSMFVFRYFG-NSHDSACASA-N 314.385 4.269 0 40 DIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(F)c1 9515994 DIWHGSMFVFRYFG-LLVKDONJSA-N 314.385 4.269 0 40 DIAB O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2ccccc21 12521474 QJGJGHKMTLUMEO-KRWDZBQOSA-N 324.767 4.454 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1csc(-c2ccccc2)n1 12740549 QUUGQJAWNIZJCA-CYBMUJFWSA-N 320.417 4.402 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)CCCc3cccs3)sc2C1 12818214 PYCKDHFYRHLWIL-LLVKDONJSA-N 320.483 4.291 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC1CCCCCCC1 14400282 JQVINHJQAPMQFH-GOSISDBHSA-N 319.445 4.082 0 40 DIAB CC[C@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 16033432 HPBMJTIXAXDVLJ-JOYOIKCWSA-N 311.838 4.061 0 40 DIAB CCOc1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 20459652 STTSECLCYRIQHV-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB CC1CCN(c2nc3c(c(-c4ccccc4)n2)CCCC3)CC1 20798137 ORAXPIQJFZFJNY-UHFFFAOYSA-N 307.441 4.259 0 40 DIAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 24838327 LQPMRGSVABZSNL-CRBCFSCISA-N 310.422 4.370 0 40 DIAB CCCCN(C)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 25613934 OQINSUDARMIWNU-UHFFFAOYSA-N 323.396 4.070 0 40 DIAB CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 27154492 RJZDPBFETKXVQE-GFCCVEGCSA-N 302.805 4.150 0 40 DIAB C[C@H](NC(=O)c1ccccc1Cc1ccccc1)c1ccncc1 32978342 FUBGZXUHDJYGPX-INIZCTEOSA-N 316.404 4.163 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 36623141 SNKIPHWEQZFXRI-CVEARBPZSA-N 311.425 4.202 0 40 DIAB O=C1C[C@H](c2ccc(Br)cc2)Nc2ccccc21 38538287 MVBJVBQIUSGFKC-CQSZACIVSA-N 302.171 4.189 0 40 DIAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3)cc2c1 40431165 OOLBPPCJUQNAAW-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CSc1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 40965042 JHAVYAAIDHDUOO-UHFFFAOYSA-N 316.238 4.487 0 40 DIAB CCN(CC)C(=O)c1cccc2c(Br)cccc12 41127294 VQQFZRGAPWXMIK-UHFFFAOYSA-N 306.203 4.084 0 40 DIAB C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 41155770 BKOMFMZMQKFJMM-XXWNAHEMSA-N 311.425 4.017 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1ccc[nH]1 58210474 XXJZSTJNZNSUKS-AWEZNQCLSA-N 323.318 4.403 0 40 DIAB CCCn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 59094197 PWTPTUWNQYSSJI-UHFFFAOYSA-N 324.449 4.407 0 40 DIAB CC[C@@H](c1ccccc1)c1nnc(SCc2ccncc2)o1 67952996 PGYPUYUTRYNYEJ-HNNXBMFYSA-N 311.410 4.299 0 40 DIAB Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 71851073 ZXWBWKYQNZXTPA-ZYHUDNBSSA-N 320.820 4.268 0 40 DIAB CCOc1cc(CNc2ccccc2)cc(Br)c1O 76276212 NPJIIJKKQPETNP-UHFFFAOYSA-N 322.202 4.166 0 40 DIAB COc1ccc(NC(=O)N(C2CCCCC2)C2CC2)cc1C 79104201 ARMZJIFXWVJJGZ-UHFFFAOYSA-N 302.418 4.333 0 40 DIAB COc1ccccc1NC(=O)N1CCCC[C@H]2CCCC[C@@H]21 95457591 GLBYSCWIDGZIOI-ZBFHGGJFSA-N 302.418 4.272 0 40 DIAB Cc1ccccc1[C@H]1SCC(=O)Nc2ccc(Cl)cc21 95836927 PKPCOZWXZOXEEF-MRXNPFEDSA-N 303.814 4.423 0 40 DIAB in-vitro C[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@H]1C2 106857708 HGRAYTWTPLWEEQ-SLUIBLPYSA-N 307.437 4.323 0 40 DIAB CCc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222557820 JZZFSPWCMXTJIL-VHSSKADRSA-N 323.465 4.233 0 40 DIAB Cc1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1 222775556 CAHJMHAQBYPOSB-UHFFFAOYSA-N 303.405 4.397 0 40 DIAB Cc1cnc(NC(=S)N[C@@H](C)c2ccccc2)c(Cl)c1 223955369 SSVVDJLCYLSFDT-NSHDSACASA-N 305.834 4.091 0 40 DIAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225645879 IATVAZIPURPISL-LIRRHRJNSA-N 319.445 4.234 0 40 DIAB C[C@H]1[C@H](C)CCCN1Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 247883611 RYNAYTUYWPFNAP-KEYYUXOJSA-N 313.445 4.035 0 40 DIAB O=C1N/C(=C\c2cccc3ccccc23)C(=O)N1C1CCCCC1 409093022 XMSCIUOWIJPTBP-AQTBWJFISA-N 320.392 4.065 0 40 DIAB CC(C)(CNC(=O)CCCc1ccccc1)c1ccsc1 1565519764 ZVLHOIPNVYEKHS-UHFFFAOYSA-N 301.455 4.165 0 40 DIAB CC(C)CCNC(=O)c1cc(-c2cccnc2)nc2ccccc12 217816 FRQJHUCZVUBWMD-UHFFFAOYSA-N 319.408 4.073 0 40 DIAB biogenic Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CCCCC3 341196 BMSBSFRMEHQEPP-UHFFFAOYSA-N 311.406 4.494 0 40 DIAB CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1C 553006 RTFTYIBDLHLYTH-UHFFFAOYSA-N 313.831 4.407 0 40 DIAB Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)cc1 3911635 RNALQJLWUDLKIL-UHFFFAOYSA-N 316.364 4.154 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1F 5442627 IRPPOMQJQGCTOI-ZDUSSCGKSA-N 309.340 4.385 0 40 DIAB Cc1nc(C)c(-c2cnc(Nc3ccc(O)cc3)s2)s1 5587357 YLLUEULDWZCHFY-UHFFFAOYSA-N 303.412 4.333 0 40 DIAB COc1ccc(F)cc1COC(=O)C12CC3CC(CC(C3)C1)C2 6063747 SPHMTFUBBRGXMY-UHFFFAOYSA-N 318.388 4.094 0 40 DIAB O=C(c1ccc(F)cc1)c1c(-c2ccccc2)nc2sccn12 6650851 OZXRZDUZLLJZTJ-UHFFFAOYSA-N 322.364 4.433 0 40 DIAB CC[C@H](C)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 7305814 MCAOELKIXCXSQQ-HNAYVOBHSA-N 311.425 4.141 0 40 DIAB COc1ccc(S[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 7935368 UQZUDZNDQJFZKQ-SNVBAGLBSA-N 323.364 4.093 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)cc1 8085506 ZWHWNYASKYWKFK-QGZVFWFLSA-N 314.454 4.441 0 40 DIAB O[C@]1(c2ccccc2)CCN(Cc2ccccc2)[C@@H]2CCCC[C@@H]21 8311887 BIWOHGQOCMGKSL-BDTNDASRSA-N 321.464 4.339 0 40 DIAB CC(C)(C)CC(=O)Nc1ccccc1SC(C)(C)C(=O)O 8732929 AVCNFPFXVYCZHV-UHFFFAOYSA-N 309.431 4.017 0 40 DIAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1 12520502 FLROZSLNGYNMCX-UHFFFAOYSA-N 307.397 4.018 0 40 DIAB CC[C@H](C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12 13127706 NVUNWZYFZHBYIH-LBPRGKRZSA-N 323.396 4.221 0 40 DIAB CCCC[C@@H](CC)c1nnc(NC(=O)c2c(C)noc2C)s1 13330734 VLXDYOJQAVEHKZ-LLVKDONJSA-N 322.434 4.079 0 40 DIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 15693113 IYICTFZCCWUFGE-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(F)cc1 20025405 YAGVPDQZSVSTBY-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C(O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 20080714 VQKWHIRWRKGTBD-UHFFFAOYSA-N 311.106 4.079 0 40 DIAB in-vitro CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC1=CCCCC1 20492312 XPWVCNNYHMPRPF-SFHVURJKSA-N 315.457 4.468 0 40 DIAB Cc1ccc(CCC(=O)N2CCOc3ccccc32)cc1Cl 24586117 KQWXNMFJPFJEGJ-UHFFFAOYSA-N 315.800 4.007 0 40 DIAB Fc1ccc(Nc2nnc(SCc3cccnc3)s2)cc1 27813984 PURIKGRNJYRDSP-UHFFFAOYSA-N 318.402 4.108 0 40 DIAB O=C(c1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 29226320 RWELARNWKDDYAB-NRFANRHFSA-N 313.400 4.475 0 40 DIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CCCc2ccccc21 30752508 VRXDHXINVDHNLZ-RTBURBONSA-N 323.436 4.346 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1C(F)(F)F 40018115 DRNGDFTYBRISIY-OAHLLOKOSA-N 305.299 4.123 0 40 DIAB Cc1cc(Br)c2oc(-c3cccc(N)c3C)nc2c1 40542263 XSJBODXHNHEOQF-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB CC(C)n1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 49377811 XOOORBOQCFQTSZ-UHFFFAOYSA-N 317.392 4.288 0 40 DIAB CCCSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 58451746 VCHPRXWGMHNYGX-UHFFFAOYSA-N 310.426 4.140 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 72214750 YHEHKEDGQCHJQT-HNNXBMFYSA-N 319.449 4.048 0 40 DIAB C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](c2nccs2)C1 72284771 SLLUEYFFWYAWMX-ZFWWWQNUSA-N 306.475 4.066 0 40 DIAB C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cc(F)c(F)c(F)c1 95423053 GKSBXOPABQKIBV-PXAZEXFGSA-N 323.358 4.268 0 40 DIAB Fc1cc(OCc2ccccc2Br)cc(F)c1F 95915303 SRTPETYNXJJKLH-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB c1ccc([C@@H]2CN(C[C@@H]3CCCCO3)Cc3ccccc32)cc1 95947995 BIWSCYRZAJFDGR-FPOVZHCZSA-N 307.437 4.203 0 40 DIAB Cc1nnc([C@@H](C)N[C@@H](Cc2ccccc2)c2cccs2)o1 97373849 INHKNBYNJYPQLZ-DOMZBBRYSA-N 313.426 4.074 0 40 DIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102292389 HGRAYTWTPLWEEQ-PBGAUENZSA-N 307.437 4.323 0 40 DIAB NC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 216948061 MFJCMKJUYFGXGY-UHFFFAOYSA-N 319.191 4.095 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222780998 KWNSNMSNRVZZAG-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB Cc1ccccc1O[C@@H](Cc1cccc2ccccc12)C(=O)O 225047637 MEAHNSKBGPVNOR-IBGZPJMESA-N 306.361 4.223 0 40 DIAB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2sc(NN)nc12 226302924 RJNHTIUZAFDAQF-UHFFFAOYSA-N 313.470 4.358 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 226305006 HWRFTVJFNWWHKI-LLVKDONJSA-N 318.804 4.054 0 40 DIAB O=C(c1[nH]c2ccccc2c1Cl)N1CC[C@H](CC2CC2)C1 514625646 IHWNWQYSIVUUKP-GFCCVEGCSA-N 302.805 4.084 0 40 DIAB Cc1csc2nc(CSc3nc4ccccc4o3)cn12 499490 MRSZZIRSSCEOEX-UHFFFAOYSA-N 301.396 4.138 0 40 DIAB CC(=O)c1c(C)n(-c2ccccc2)c2c1nnc1ccccc12 1585744 KQIAVFCQDWVYMC-UHFFFAOYSA-N 301.349 4.085 0 40 DIAB CCCCN(CC)c1ncnc2ccc(Br)cc12 1766180 XGTDEUHICAOTRE-UHFFFAOYSA-N 308.223 4.019 0 40 DIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(CC)cc2)cc1 2067950 ZFDVJGIDKXAMSE-UHFFFAOYSA-N 311.381 4.068 0 40 DIAB C[C@H](CC(=O)O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 2518314 JPMVLMBCHRXPLT-LLVKDONJSA-N 303.358 4.003 0 40 DIAB C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1ccccc1 3440932 GRDCGRZUEBGXBI-OAHLLOKOSA-N 310.441 4.448 0 40 DIAB CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 9053068 APXDLGWHHZAOSH-UHFFFAOYSA-N 311.450 4.386 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccccc1 9335787 YSRBEKCSXKOJKO-LBPRGKRZSA-N 318.804 4.096 0 40 DIAB C/C=C/c1ccc(OCc2nnc(-c3ccccc3)o2)c(OC)c1 9911715 FYWANAZILBKNNZ-XVNBXDOJSA-N 322.364 4.357 0 40 DIAB CSc1cccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 11326418 HKCGYZOGDAIZGK-INIZCTEOSA-N 315.463 4.372 0 40 DIAB Cc1c(Cl)cccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 12817537 BQHMMPWNEANTAK-SNVBAGLBSA-N 324.211 4.136 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1cccc(-c2ccc(F)cc2)c1 19658225 VKNRTHKRQDLSIY-UHFFFAOYSA-N 324.355 4.279 0 40 DIAB CC(C)Sc1ccccc1C(=O)NCCc1ccc(F)cc1 20612886 PZARQDDUDKSLKV-UHFFFAOYSA-N 317.429 4.299 0 40 DIAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)cs2)s1 21175485 FATHNFQICGWAGG-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB CCOC(=O)N(C)[C@H](C)c1cccc(OCc2ccccc2)c1 22051361 AILWQHZCBRQEHX-OAHLLOKOSA-N 313.397 4.415 0 40 DIAB in-vitro CCCCNC(=O)Nc1nc2ccccc2n1Cc1ccccc1 27923068 OMQLMALCDABBKM-UHFFFAOYSA-N 322.412 4.006 0 40 DIAB CC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Cl)cc2)N1O 33669299 SNCPWGACBWQWEA-KRWDZBQOSA-N 315.780 4.385 0 40 DIAB Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1 45709116 MHOGZSCRSBJYHF-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB C[C@@H]1CCCCN1c1c(N)cc(Br)cc1Cl 45958974 LSJGWYILYUDRMT-MRVPVSSYSA-N 303.631 4.064 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc3ccccc23)no1 69892782 VHHTWEVVISUHHN-SFHVURJKSA-N 306.365 4.114 0 40 DIAB Cc1cccc(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 72369823 DFHAPSPYMYCGNI-SFHVURJKSA-N 319.408 4.035 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 78457958 NZZMMZHGMLGFAA-HZPDHXFCSA-N 311.425 4.202 0 40 DIAB C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 95968326 AOWTZTFLDZAIAK-BEFAXECRSA-N 321.399 4.250 0 40 DIAB CC[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccc(F)cc1F 95981584 QONXZYWJGDAZJC-NSHDSACASA-N 317.261 4.337 0 40 DIAB O=C(c1ccsc1)N1CCC(Oc2ccccc2Cl)CC1 96484064 QDAZCJWFNSOYRT-UHFFFAOYSA-N 321.829 4.085 0 40 DIAB Cc1ccc(Cn2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1 100892748 CNJRVBOBOVRPCQ-UHFFFAOYSA-N 322.389 4.162 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118919158 QGKQXZFZOIQFBI-ULWYFIRJSA-N 306.490 4.141 0 40 DIAB in-vitro CC(C)C[C@@H](C)N(C(=O)c1cnccn1)c1ccc2[nH]ccc2c1 128578543 SBPLOZGURLGEQW-CQSZACIVSA-N 322.412 4.039 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCC1=CCCCC1 224443231 ZEXXGOLLSZSLQM-INIZCTEOSA-N 307.821 4.114 0 40 DIAB C[C@H](NC(=S)Nc1cccnc1)c1ccc(C(C)(C)C)cc1 225409138 IQFBPJLFERYMCT-ZDUSSCGKSA-N 313.470 4.427 0 40 DIAB O=C(CSCc1cccc(Cl)c1)NC1CCCCCC1 255936116 ZIOPAAOHRYAUEP-UHFFFAOYSA-N 311.878 4.412 0 40 DIAB CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccncc1 521432 HHDYYTVALIONSZ-FQEVSTJZSA-N 312.376 4.095 0 40 DIAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1Cl 551750 SGSUJULEMQNDGM-CQSZACIVSA-N 323.179 4.284 0 40 DIAB CCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 560731 LZCXIDPCBSLNGS-UHFFFAOYSA-N 323.392 4.322 0 40 DIAB Cc1ccc2oc(-c3ccccc3)c/c(=N\C[C@@H]3CCCO3)c2c1 1916581 VLBQGFUEJQQIBW-XENKUQMPSA-N 319.404 4.488 0 40 DIAB CCOC(=O)c1ccc(C(=O)CCc2cccc(Cl)c2)cc1 2517224 LYGDBMYCNQTDLM-UHFFFAOYSA-N 316.784 4.332 0 40 DIAB O=C(CSc1ccc2ccccc2c1)NCc1ccccc1 2616520 DCWBRPRWVKWKAT-UHFFFAOYSA-N 307.418 4.248 0 40 DIAB O=C(CSC1=NCCS1)c1cc(Cl)ccc1Cl 3257481 DZLUPVFPBWXRGX-UHFFFAOYSA-N 306.239 4.012 0 40 DIAB CCC(=O)c1ccc(OC(=O)c2ccc3ncsc3c2)cc1 3281661 OYKAYRISKWSBDG-UHFFFAOYSA-N 311.362 4.108 0 40 DIAB CCCCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 5978006 RAACUSWBXSUDGC-UHFFFAOYSA-N 304.415 4.256 0 40 DIAB COc1ccccc1-n1cnnc1S[C@@H](C)c1ccccc1 6534656 UPFUUZONPYJDNT-ZDUSSCGKSA-N 311.410 4.129 0 40 DIAB CCOc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 6876309 QJFOPNOLIOPAPA-AZOIQLNYSA-N 301.430 4.030 0 40 DIAB CCCOc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 7668903 OOTDOPWQMNIHLC-UHFFFAOYSA-N 310.353 4.201 0 40 DIAB O=C(NOCc1ccccc1)c1cc2c(s1)CCCCCC2 8096878 CGBDTAKJMOJERW-UHFFFAOYSA-N 315.438 4.269 0 40 DIAB Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2C)c1 8131861 YPBAKWIIESDFCL-UHFFFAOYSA-N 301.361 4.159 0 40 DIAB CCCSc1ccccc1C(=O)NCc1ccc(OC)cc1 8782417 IBJRIIVKXVUVNX-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc2ccsc2[nH]1 12818666 IVNJMXUKKXJDHP-LLVKDONJSA-N 314.410 4.037 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F 15331636 PICYCNFHTKTXPV-VIFPVBQESA-N 311.715 4.024 0 40 DIAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccncc1 17791993 VUFVXCHNEYQNCF-OAHLLOKOSA-N 318.376 4.365 0 40 DIAB Cc1ccsc1C(=O)N[C@H](C)c1cccc(Br)c1 30468151 RWZWCGPOXUXXJF-SNVBAGLBSA-N 324.243 4.310 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)NCCc2cccc3cccnc23)C1(C)C 32076166 WGKRKUILWWALSA-ZWKOTPCHSA-N 322.452 4.132 0 40 DIAB Cc1nc2ccc(C(=O)N[C@H](C)CCCC(C)C)cc2nc1C 32740606 IFWMUDRDZKMCOL-CYBMUJFWSA-N 313.445 4.191 0 40 DIAB Cc1ccc(OC(=O)c2ccccc2C(=O)c2ccccc2)cc1 32901419 SIHSASWCXAXWST-UHFFFAOYSA-N 316.356 4.445 0 40 DIAB c1ccc(-c2cccc(-c3cccc(-c4ccccn4)n3)n2)nc1 34544840 SSZWMEZKBBAJLB-UHFFFAOYSA-N 310.360 4.268 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(OC)cc1 40162141 GLHOBJDTLCQVKV-UHFFFAOYSA-N 323.845 4.001 0 40 DIAB O=[N+]([O-])c1ccc(Oc2ncnc3ccsc23)cc1Cl 49320624 ISZHILJUPGKCES-UHFFFAOYSA-N 307.718 4.045 0 40 DIAB Cc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccccc1)C3 57712464 GFUZJEWAPQQGHC-INIZCTEOSA-N 318.420 4.326 0 40 DIAB O[C@H](CN1CCC[C@H]1c1cccs1)c1ccccc1Cl 58562980 ZKGAVHXHAOLNLC-LSDHHAIUSA-N 307.846 4.272 0 40 DIAB O=C(Cc1cccc(F)c1)N1CCCC[C@@H]1c1ccc(F)cc1 72313218 PJQYGPDOXISMKX-GOSISDBHSA-N 315.363 4.261 0 40 DIAB CC(C)N(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CC1 84597207 XJFPMBZKYYMJES-KBPBESRZSA-N 311.347 4.208 0 40 DIAB COc1cc(C=O)ccc1OCCCSCc1ccccc1 95445239 ATSUARKLMYUFTP-UHFFFAOYSA-N 316.422 4.210 0 40 DIAB CC(C)c1cccc(/C=C/c2nc3ccccc3n(C)c2=O)c1 95945172 ZBISIYGULKHWDO-VAWYXSNFSA-N 304.393 4.227 0 40 DIAB CCc1nnc(CNc2c(F)cc(F)cc2-c2ccccc2)o1 96500480 STHQWGFBMMQLPF-UHFFFAOYSA-N 315.323 4.189 0 40 DIAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)c1ccc2ccccc2c1 107504642 YDUSXYLTWIEXSB-CEQIKUNHSA-N 324.468 4.137 0 40 DIAB Cc1c(C=O)c2ccccc2n1C(=O)c1cccc(OC(C)C)c1 216956718 DBBIFWGYSSAKRS-UHFFFAOYSA-N 321.376 4.238 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)c(C)c1 219272999 HNRPRRBNQWDDGA-IBGZPJMESA-N 311.425 4.122 0 40 DIAB CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)c(OCC)nn2C 227166627 JSRGFBNDEQSEAU-ZDUSSCGKSA-N 317.433 4.127 0 40 DIAB CN(C(=O)c1ccco1)c1ccc(C(F)(F)F)cc1Cl 252485694 HBTDMNXKGXREOZ-UHFFFAOYSA-N 303.667 4.228 0 40 DIAB Cc1ccc2oc(C(=O)N3CCCCC[C@@H]3c3ccco3)cc2n1 605647922 LXWQZVNAKBDNMO-OAHLLOKOSA-N 324.380 4.487 0 40 DIAB COc1cc2c(C(=O)O)cc(-c3ccccc3)nc2cc1Cl 1857793933 XRZNNUQYFSZUPE-UHFFFAOYSA-N 313.740 4.262 0 40 DIAB Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1F 36018 AVAKPBHNMJXDON-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB COc1cccc(NC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 136883 HEEYGXFJGHYMPM-TZMCWYRMSA-N 306.475 4.196 0 40 DIAB Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1 261148 BFHZENWOTCZSRQ-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCCC1 2515570 PIABEICXOSYLEE-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 2762699 MAZHKECONZVPAS-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)nc1 3538461 BDQVAYCEGULFII-UHFFFAOYSA-N 322.795 4.254 0 40 DIAB COc1ccc(N(C(=O)Nc2ccc(C)cc2)C2=NCCC2)cc1 4570570 VZWGYVZBTPJWRN-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccs1 5172433 ZBNTVTXGQNKKKG-JTQLQIEISA-N 311.859 4.199 0 40 DIAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccccc1 5627107 SSCLXRYGRBPZDK-CYBMUJFWSA-N 308.406 4.354 0 40 DIAB Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C(C)C 5627986 YQRSUMHFBAAKSZ-UHFFFAOYSA-N 307.397 4.107 0 40 DIAB Cc1ccc(NC(=S)NCCSCc2ccco2)cc1C 6335742 ZDIOTOVLTHXPCZ-UHFFFAOYSA-N 320.483 4.116 0 40 DIAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)c1c[nH]c2ccccc12 7043152 QJKKSFDPFVMOBS-VBKZILBWSA-N 318.420 4.406 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1F 8240880 LAEZUSDEAJRPJG-LLVKDONJSA-N 313.328 4.072 0 40 DIAB CCOc1cc(CNCc2ccccc2Cl)ccc1OC 8254363 FBXOLEFOLSLSIV-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)CCCC2 8348137 CGOUWVANMXMXDQ-UHFFFAOYSA-N 323.436 4.155 0 40 DIAB O=C1CCc2c(OCc3ccc(Br)cc3)cccc21 10197584 UCGAFGJNGKWEOB-UHFFFAOYSA-N 317.182 4.157 0 40 DIAB COc1ccccc1-c1nnc(SCc2ccccc2C)[nH]1 10475483 HJXFPUBIOAPPJC-UHFFFAOYSA-N 311.410 4.081 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccs1 12786257 HIWQVCYEVHCKNH-SECBINFHSA-N 314.237 4.475 0 40 DIAB S=C(NCCCc1ccccc1)Nc1cccc(Cl)c1 13817318 XDVALOLOHVYQPV-UHFFFAOYSA-N 304.846 4.259 0 40 DIAB COCc1c(C(=O)N[C@@H](C)c2cccs2)oc2ccccc12 14199464 UQOUKBLISPNBEZ-NSHDSACASA-N 315.394 4.132 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2cccc(F)c2F)no1 19119431 IIBMZKQLZUKESU-MRXNPFEDSA-N 306.356 4.379 0 40 DIAB Cc1cccc(NC(=O)c2cccnc2NC2CCCCC2)c1 22072470 XNTSFLNQMMSZIW-UHFFFAOYSA-N 309.413 4.387 0 40 DIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCCC[C@H]1C 23177778 XHVNYFIINRTCEU-ZYHUDNBSSA-N 304.415 4.020 0 40 DIAB COc1ccccc1NC(=O)N[C@H](C)c1cc(C)sc1C 31662829 UQZKEYZZABULRX-LLVKDONJSA-N 304.415 4.256 0 40 DIAB CCn1cc(C(=O)Nc2cccc3cccnc23)c2ccccc21 32787482 DDOJTGVEJUOUBM-UHFFFAOYSA-N 315.376 4.462 0 40 DIAB O=C(CN1CCC(c2ccccc2)CC1)c1c[nH]c2ccccc12 32909490 JAMHMRAPUBRKHH-UHFFFAOYSA-N 318.420 4.230 0 40 DIAB COc1ccc(-c2n[nH]c(=S)n2-c2cccc(C)c2C)cc1 40163733 YCWGMMORBFHCMT-UHFFFAOYSA-N 311.410 4.222 0 40 DIAB CCCc1ccc([C@H](O)c2ccc(Br)cc2)cc1 40255578 NMUPCOKOOVEDBU-INIZCTEOSA-N 305.215 4.483 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 40946230 AZJYRSWOHGITJK-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB Cc1nn(C(C)C)c(C)c1CN(C)Cc1cccc2ncccc12 57811536 VSYDJKPURFLOJA-UHFFFAOYSA-N 322.456 4.261 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 59351266 BPFSOXIUFYLHRF-GJZGRUSLSA-N 315.388 4.087 0 40 DIAB CCn1c([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)nc2ccccc21 69463128 KRLAGXUZXXWQNH-MAUKXSAKSA-N 323.440 4.076 0 40 DIAB Cc1cc(N(C)c2ccccc2)ncc1[C@H](N)c1ccccc1 72223351 LHLAVRNQBKXCKU-HXUWFJFHSA-N 303.409 4.206 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 78457806 ZZMVFFYZRMCNTL-INIZCTEOSA-N 311.425 4.122 0 40 DIAB Cc1nc(C)c(C(=O)N2CCCSc3ccc(Cl)cc32)o1 96456538 FWPDBXIWGIIZOP-UHFFFAOYSA-N 322.817 4.087 0 40 DIAB FC(F)(F)c1cc(Cl)ccc1OCc1nnc(C2CC2)o1 96499901 VSLOYALYOFHPES-UHFFFAOYSA-N 318.682 4.198 0 40 DIAB O=C1C[C@@H](c2cccc(Br)c2)Nc2ccccc21 97758155 XSVUZINBUSMMNJ-AWEZNQCLSA-N 302.171 4.189 0 40 DIAB C[S@](=O)c1cccc(N[C@H](c2ccccc2)c2ccccn2)c1 195553939 DEOISGKJOUQSBW-XXBNENTESA-N 322.433 4.021 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(N2CCCCC2)c(C)cc1N 216866142 NCCFMRVSIWPLOA-UHFFFAOYSA-N 323.440 4.128 0 40 DIAB CC(C)Oc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 224510403 FNCNQYNLYWWFDU-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB CC[C@H](CNC(=S)Nc1ccccc1F)Cc1ccccc1 225630587 VKZIWXAURVRAIH-AWEZNQCLSA-N 316.445 4.381 0 40 DIAB CC[C@H](C(=O)NCc1ccnc(-c2ccco2)c1)c1ccccc1 225654357 ASPCQTRZTNVIHE-KRWDZBQOSA-N 320.392 4.152 0 40 DIAB Cc1ccc(N(C)C(=O)c2conc2-c2ccccc2)cc1C 225870107 DFGHSELSKBEKLN-UHFFFAOYSA-N 306.365 4.235 0 40 DIAB C[C@H]1CCC[C@H](C)N1c1c(Cl)cc(N)cc1Br 226316486 FVOGJLOWIDSTRH-IUCAKERBSA-N 317.658 4.452 0 40 DIAB Brc1cccc(-c2cncc(Br)c2)c1 238030567 FXVFYAAEWRTGRY-UHFFFAOYSA-N 312.992 4.274 0 40 DIAB Cc1nc(Nc2ccc(Cl)cc2)cc(C2CCOCC2)n1 1888876278 DXJYZYBZFIBBHC-UHFFFAOYSA-N 303.793 4.076 0 40 DIAB N[C@@H](COc1ccccc1Oc1ccccc1)Cc1ccccc1 2037873289 UMJZAGXAKWPCJX-GOSISDBHSA-N 319.404 4.428 0 40 DIAB CN(C)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1 2037873293 XPGGUAQLRGMHEI-UHFFFAOYSA-N 309.768 4.212 0 40 DIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Cl)cc1 70763 QSZPGCWECBZWJH-ZROIWOOFSA-N 318.159 4.338 0 40 DIAB Cc1nc2cc(NC(=O)Nc3ccccc3Cl)ccc2o1 800757 OAUVFSHBZNOBRI-UHFFFAOYSA-N 301.733 4.434 0 40 DIAB O=C(Nc1cccc(Cl)c1)OCC(Cl)(Cl)Cl 1640245 FPOINEFYAIQGBL-UHFFFAOYSA-N 302.972 4.259 0 40 DIAB CCCCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1 3235846 ZTMGXQHZMMFMFB-UHFFFAOYSA-N 317.429 4.091 0 40 DIAB CCC[C@H](C)C(=O)OCC(=O)c1ccc2cc(OC)ccc2c1 3240401 TWJXDJXZZOLMHV-ZDUSSCGKSA-N 314.381 4.011 0 40 DIAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2s1 3252741 QMECJZKVVMMGPL-LBPRGKRZSA-N 320.483 4.180 0 40 DIAB CC(C)CNCC(=O)N1c2ccccc2Sc2ccccc21 3283057 ASURSYIPBIIUED-UHFFFAOYSA-N 312.438 4.062 0 40 DIAB O=C(OCc1ccc(F)cc1)c1c2c(nc3ccccc13)CCC2 3373214 LZHKFTIQXROLON-UHFFFAOYSA-N 321.351 4.220 0 40 DIAB Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)no1 3417316 LNSVKTCJVJRBPF-UHFFFAOYSA-N 317.197 4.021 0 40 DIAB Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 3554498 WNMUPAQWZCAKDY-UHFFFAOYSA-N 308.208 4.161 0 40 DIAB Cc1ccc2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc2c1 3847043 VXYDOEMNVOKCEG-UHFFFAOYSA-N 318.328 4.183 0 40 DIAB biogenic C[P@](=O)(O)[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 4119565 YJNSIIVVTCZRLR-QMMMGPOBSA-N 306.142 4.209 0 40 DIAB O=C(c1ccc(Br)cc1)c1cc(F)cc(Cl)c1 4241412 ILOWRYPGVHKBBG-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB 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Cc1ccc(-n2ncc3c2C[C@H](c2cccs2)CC3=O)cc1 17031763 OEBOXRMPJMUQSP-ZDUSSCGKSA-N 308.406 4.155 0 40 DIAB CC[C@@H](NC(=O)c1cn(C)c2ccccc12)c1ccc(OC)cc1 25514445 IIUSTFVMMJXTGK-GOSISDBHSA-N 322.408 4.068 0 40 DIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc(C2CC2)on1 30314805 RXBXZEPKTMCTOM-SNVBAGLBSA-N 304.777 4.039 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c1 32931081 ZSMCHCKNUZVIMJ-CYBMUJFWSA-N 319.351 4.396 0 40 DIAB OCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 34772881 XIEMZENDWGRWLP-UHFFFAOYSA-N 306.192 4.489 0 40 DIAB O=C1C[C@@H](c2ccccc2)c2snc(-c3ccc(F)cc3)c2N1 35316425 PGDMSTWLAUBDOA-AWEZNQCLSA-N 324.380 4.423 0 40 DIAB CC(C)c1nc2cc(NC(=O)c3ccc4c(c3)CCO4)ccc2o1 40081717 BTGZZGSFPIGCRQ-UHFFFAOYSA-N 322.364 4.138 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)CN[C@@H](c1ccccc1)C(C)(C)C 40155737 CDWKJPACYVRXMX-WDYCEAGBSA-N 316.489 4.058 0 40 DIAB CCOC(=O)Cc1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127592 JMIHAWVIMMXLRQ-UHFFFAOYSA-N 315.756 4.254 0 40 DIAB CCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210422 YFNGYJXDWSOXJK-UHFFFAOYSA-N 316.422 4.367 0 40 DIAB COc1cc(Cl)ccc1C(=O)N(C1CC1)[C@@H](C)c1ccco1 67057881 IOZFSAVNRNFZJL-NSHDSACASA-N 319.788 4.307 0 40 DIAB FC(F)(F)c1cccc(N2CCN(c3ccccc3)CC2)c1 71702409 DDXSXBJYZZTZBJ-UHFFFAOYSA-N 306.331 4.032 0 40 DIAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)C1CCCC1 71884272 JIGOASABDCSMSN-INIZCTEOSA-N 308.425 4.362 0 40 DIAB C[C@H](c1cccs1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203840 SPRLIMZPAMKGDN-CYBMUJFWSA-N 324.490 4.046 0 40 DIAB c1ccc(SCCSc2nnc(-c3ccncc3)o2)cc1 95455405 CLXRIYNNDPKFRG-UHFFFAOYSA-N 315.423 4.016 0 40 DIAB O=C(O)CC/C(=C/c1cccnc1)c1nc2ccccc2s1 96767628 NEXZKOYNJBACDH-RAXLEYEMSA-N 310.378 4.097 0 40 DIAB CCc1ccc([C@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)o1 97017332 DBYPQKSIMLTRTN-QWHCGFSZSA-N 311.385 4.304 0 40 DIAB Cc1csc(-c2ccc(NC(=O)/C=C/c3ccncc3)cc2)n1 101530095 BWAGXQJCBUUAPL-FARCUNLSSA-N 321.405 4.165 0 40 DIAB CSC(C)(C)CN[C@H](C)c1ccc(OC2CCOCC2)cc1 154324324 YJPWITNVEKFTKK-CQSZACIVSA-N 323.502 4.037 0 40 DIAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccccc1Cl 204134627 HRFFZOICSUZBNH-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB O=C(c1ccco1)N1CCS[C@H](c2ccccc2Cl)CC1 208046406 YEFWRYPMNNOUCP-HNNXBMFYSA-N 321.829 4.253 0 40 DIAB O=C(NCCSCc1cccc(Cl)c1)Nc1ccccc1 222626259 VOOUBBYOAAYWTF-UHFFFAOYSA-N 320.845 4.395 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223218905 USZLGCZWFINSHK-HOCLYGCPSA-N 303.446 4.429 0 40 DIAB Cc1ccc(C)c(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c1 225029021 ZARVYYAPOFMVFR-IBGZPJMESA-N 312.409 4.303 0 40 DIAB CN(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3188846 STXAYZUNVPVXQL-UHFFFAOYSA-N 308.303 4.024 0 40 DIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 4691198 CWOBUKMKUWIUGV-AWEZNQCLSA-N 313.397 4.226 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1 8041486 QCWVQOXAEIEOGD-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9500761 VLBBZVDPGBRJEF-UHFFFAOYSA-N 311.381 4.224 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1C 11617406 JYYPEJVYUYACEI-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1onc(C(C)C)c1C(=O)NC1(c2ccccc2)CCCC1 12197427 MXUCSEKGCLHKPF-UHFFFAOYSA-N 312.413 4.306 0 40 DIAB O=C(Nc1cccc(F)c1)c1csc(-c2cccs2)n1 12769103 SZSABOXDJYAPOL-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1Cl 12828205 QJBTUJHERMJNOA-UHFFFAOYSA-N 306.818 4.318 0 40 DIAB C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 12939656 WNPLEZVMEFFDEC-ZIAGYGMSSA-N 317.816 4.027 0 40 DIAB O=C(/C=C/c1cccs1)Nc1nc2c(s1)CCCCC2 14554188 KWOXMEIELNGFNA-CMDGGOBGSA-N 304.440 4.125 0 40 DIAB O=C(Nc1ccc(Cl)cc1)OC[C@H]1CCCN2CCCC[C@@H]12 15240426 GRDMMPXVOYPCJQ-CJNGLKHVSA-N 322.836 4.153 0 40 DIAB biogenic Cc1cccc(/C(Br)=C2\OC(=O)c3ccccc32)c1 16958339 QCHLISHCNOKVIA-CCEZHUSRSA-N 315.166 4.386 0 40 DIAB CN1/C(=C\C=N\n2cnc3ccccc32)C(C)(C)c2ccccc21 19336645 FKNAXQMSQCRERK-VTLDLIPLSA-N 316.408 4.182 0 40 DIAB CCc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19523477 GBYOZGRWZPBBCJ-QIJZPMMNSA-N 321.468 4.101 0 40 DIAB COc1cccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)c1 20403763 VZZJBGYQBQWYMG-UHFFFAOYSA-N 318.332 4.090 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCc1cccc(C)c1 20452443 LPSBXYQNLLZGCW-UHFFFAOYSA-N 305.377 4.087 0 40 DIAB CCc1nnc(-c2cc3ccccc3n2Cc2ccc(F)cc2)o1 22714354 GVLNBTZGHXXPGE-UHFFFAOYSA-N 321.355 4.441 0 40 DIAB COc1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 23410383 IEXCOPWKFSLGGK-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB Cc1ccc(NC(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1 28219900 KRMFIHFEDYTOIK-UHFFFAOYSA-N 306.369 4.133 0 40 DIAB CCCCc1nn2cc(-c3ccccc3OCC)nc2s1 28540029 RICIKPIRDGKPAU-UHFFFAOYSA-N 301.415 4.199 0 40 DIAB Cc1ccccc1NC(=S)NCc1nc2ccccc2s1 40460304 RRVVKNJCKSRUOU-UHFFFAOYSA-N 313.451 4.091 0 40 DIAB CC(C)c1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1 57340575 BPRHDVFMEATHSB-UHFFFAOYSA-N 311.410 4.254 0 40 DIAB C[C@H]1CN(c2cc(-c3ccccc3)c3ccccc3n2)CCO1 65515821 XNUSTRBYDCGTLE-HNNXBMFYSA-N 304.393 4.127 0 40 DIAB Cc1cnccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72219544 MDUGEPGEHJYHOE-GOSISDBHSA-N 310.397 4.254 0 40 DIAB CCc1cc(N)cc2nc(-c3ccccc3Br)oc12 73642599 MOQWJRAROKXFQA-UHFFFAOYSA-N 317.186 4.402 0 40 DIAB Cc1cc(CS[C@@H](C)c2nc(-c3ccccc3)no2)no1 95418036 USSBMAQGLOYXEM-NSHDSACASA-N 301.371 4.027 0 40 DIAB Cc1nc(SCc2ncoc2C)c2c(C)c(C)sc2n1 95442147 OGGZADYLVMOSAB-UHFFFAOYSA-N 305.428 4.205 0 40 DIAB Cc1ccc(C)c2c1CCC[C@H]2N1CCC(N2CCCC2)CC1 95453389 WGFCMUNGVPPUDF-HXUWFJFHSA-N 312.501 4.241 0 40 DIAB CC(C)n1cc([C@H](C)N[C@H](CCc2ccccc2)C(F)F)cn1 95996327 TZQDLFOKSJLRDU-WMLDXEAASA-N 321.415 4.381 0 40 DIAB O=C(C1CCCC1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166333 SMNIKDIEEDULEN-QZTJIDSGSA-N 301.405 4.253 0 40 DIAB O=C(CCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 199736974 AFUKSPACZTXSJH-UHFFFAOYSA-N 322.282 4.250 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1c(C)nc2ccc(C)cn12 223148460 WNPDTQSNKKEVHL-UHFFFAOYSA-N 321.424 4.328 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)c1ccccc1 224619409 RNYGTSZCGJGVTA-QFBILLFUSA-N 311.425 4.072 0 40 DIAB Cc1ccc(S[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 225061970 MHIVYZYAKJIXBB-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)CCCC2 225629648 ZFPMUYWUVSZNCO-FQEVSTJZSA-N 305.421 4.373 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c(C)n1 225903761 AITDDXRXERFTSO-SFHVURJKSA-N 322.449 4.103 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 250859173 SPPQPIJYSMWOGE-WMKCGOMXSA-N 316.485 4.469 0 40 DIAB biogenic C[C@@H]1C[C@@H](c2ccc(Cl)c(N)c2)CN(C(=O)OC(C)(C)C)C1 1625361851 IVARZESEJKRXJQ-DGCLKSJQSA-N 324.852 4.283 0 40 DIAB Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)o2)cc1 41625 VCUYFFBUYJYVJZ-UHFFFAOYSA-N 306.148 4.470 0 40 DIAB COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 58001 HHPVTMBAANTAKT-UHFFFAOYSA-N 300.741 4.430 0 40 DIAB biogenic C[n+]1c(-c2ccc(Cl)cc2)csc1NCc1ccco1 162737 KUCSZCKFRZVDEQ-UHFFFAOYSA-O 305.810 4.098 0 40 DIAB Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12 188620 VWOICHOMQVSPIY-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Br 514153 QROFFTHTTYNDML-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CSc1ccccc1-c1nnc(SC)n1-c1ccccc1 1397962 IAFBQWZJSRPYHQ-UHFFFAOYSA-N 313.451 4.378 0 40 DIAB O=C(c1cccs1)N1CCC(c2c[nH]c3ccccc23)CC1 1502493 PTQGFNUHDIADOW-UHFFFAOYSA-N 310.422 4.249 0 40 DIAB COC(=O)/C(=C(/F)Sc1ccc(O)c(C)c1C)C(F)(F)F 2256786 ZQQCKVDYHXNEOT-ZHACJKMWSA-N 324.295 4.018 0 40 DIAB CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(OC)cc12 3148963 FUPRESGGKITVQE-OAHLLOKOSA-N 315.461 4.166 0 40 DIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cl)cc1 4689785 DWUNHYVRSIIMIV-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB CCc1ccccc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034439 OFQPNIYHNGFVKZ-VAWYXSNFSA-N 305.377 4.220 0 40 DIAB CC[C@@H](C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1 5938231 ABMDZOJVUFHOJW-LLVKDONJSA-N 320.845 4.415 0 40 DIAB Cc1cccc(Nc2nnc(SC[C@H]3CCCCO3)s2)c1 6784826 OJDODSHGHIABNJ-CYBMUJFWSA-N 321.471 4.251 0 40 DIAB COc1ccc(Cl)cc1NC(=O)CCOc1cccc(C)c1 6867627 AMWPQXLYCOJOPD-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(C)c(F)c2)cc1 6966837 CVMIWPYKEJNISO-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccc(C)cc3F)c(C)c2c1 7265121 BVVMCXQTHRIPBG-UHFFFAOYSA-N 313.328 4.450 0 40 DIAB COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)cs1 7846126 GJECRAQTHNHOSA-UHFFFAOYSA-N 324.405 4.444 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8041316 NQWFHWGHOCAAMA-MRXNPFEDSA-N 301.361 4.184 0 40 DIAB CCCCN(CC)Cc1c(C)nc2cc(C)cc(C)c2c1O 8717407 SUCBMENYHXHCDP-UHFFFAOYSA-N 300.446 4.488 0 40 DIAB Cc1csc(NC(=O)c2cc(F)c(Cl)cc2Cl)n1 9515910 PBFHGABSSKGGKS-UHFFFAOYSA-N 305.161 4.150 0 40 DIAB Cc1cccc(NC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 12873313 MVNQWZKTHIGNKF-UHFFFAOYSA-N 310.397 4.112 0 40 DIAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 12925992 KGEYMIGOUVWGAT-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB COC[C@@H](C)Nc1nc(-c2cc(C)n(C(C)C)c2C)cs1 14120214 QNOMJIABDUXNGQ-LLVKDONJSA-N 307.463 4.256 0 40 DIAB Cc1ccc(C)c(S[C@@H](C(=O)NC2CC2)c2ccccc2)c1 14123452 JXCDYDPPFSBHEU-GOSISDBHSA-N 311.450 4.415 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 20459630 MZQAPOPWTAXOQI-QGZVFWFLSA-N 311.425 4.038 0 40 DIAB COc1ccc(CCNCc2ccc(Cl)c(Cl)c2)cc1 22074762 QEVYJBXGCJPQQA-UHFFFAOYSA-N 310.224 4.334 0 40 DIAB Fc1ccc(-c2nc(Cl)nn2-c2ccc(Cl)cc2)cc1 22125731 YXGRHLBFCBSHEG-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1 24839065 XOAOJHAJYFXDLQ-UHFFFAOYSA-N 324.405 4.156 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 26254557 QGAUUDMSHTUPDZ-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 27662160 PAZWXLNUVHLATP-UHFFFAOYSA-N 322.364 4.301 0 40 DIAB Cc1ccc2nc(NC(=O)c3ccc4c(c3)CCC4)sc2c1 28818183 WMWLMLANOMFJBZ-UHFFFAOYSA-N 308.406 4.346 0 40 DIAB CCCc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)sc1C 29787333 MJRAKQWEDDUCEV-UHFFFAOYSA-N 322.518 4.048 0 40 DIAB CCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 32740592 AANWJESRQIKRCF-HNNXBMFYSA-N 306.406 4.076 0 40 DIAB Cc1occc1C(=O)Nc1ccccc1SCC(F)(F)F 32900581 JKSJSEPXIJYBFS-UHFFFAOYSA-N 315.316 4.495 0 40 DIAB CSCc1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)oc2ccccc12 32997999 OKZFSHCCJSVVIK-STQMWFEESA-N 317.454 4.414 0 40 DIAB Cc1ccc(C)c(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 36394919 NSSLLYQBPSVNKL-UHFFFAOYSA-N 319.364 4.138 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(O)cc2)c1 64038425 ZBDVRXFJERRVOW-ZDUSSCGKSA-N 301.411 4.128 0 40 DIAB Cc1csc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2F)n1 69618747 UWKRDPDEUFNYDJ-MRVPVSSYSA-N 313.785 4.127 0 40 DIAB COc1ccccc1-c1cc(-c2ccc(C)cc2C)nc(N)n1 71977963 QOKKWDKQKOYJPK-UHFFFAOYSA-N 305.381 4.018 0 40 DIAB CC(=O)N1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217235 SEEQRGYIVRHODL-INIZCTEOSA-N 304.459 4.190 0 40 DIAB Cc1cc(NCc2ccccc2)ncc1[C@H](N)c1ccccc1 72223378 XYQHEWDJPSMBMT-HXUWFJFHSA-N 303.409 4.050 0 40 DIAB C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](c2nccs2)C1 72284773 SLLUEYFFWYAWMX-DZGCQCFKSA-N 306.475 4.066 0 40 DIAB Cc1ccccc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612069 AWEQNGCGBDEQPD-UHFFFAOYSA-N 311.406 4.492 0 40 DIAB C[C@H](c1cccs1)[S@@](=O)Cc1ncc(-c2cccs2)o1 96461116 XXGHXQXQOAEVAO-CFMSYZGJSA-N 323.464 4.475 0 40 DIAB CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC)cc1 225414568 XLNOINTYLGHMND-QGZVFWFLSA-N 317.816 4.159 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225620003 HECSNZPASJTMCF-SFHVURJKSA-N 307.434 4.316 0 40 DIAB CCCCOc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1 256028027 OXJKCRDKOABVSF-UHFFFAOYSA-N 310.353 4.107 0 40 DIAB CC(C)(C)[C@@H]1CCCN1Cc1ccc2oc(C(=O)O)cc2c1 568873821 FOWBFBQEUJPYDU-INIZCTEOSA-N 301.386 4.142 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 575360994 ZDGXDPXTCKLWTE-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB Cc1cc(C(=O)NC2(c3cccc(F)c3)CCC2)ccc1F 1526369505 PLGJKMBLUGQAKT-UHFFFAOYSA-N 301.336 4.082 0 40 DIAB CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)on1 1857794043 ACJXJGGKJVQPSC-UHFFFAOYSA-N 323.348 4.097 0 40 DIAB COc1ccc(C)cc1NC(=O)/C=C/c1ccccc1Cl 579919 HOQWJAMJOOKREX-CSKARUKUSA-N 301.773 4.309 0 40 DIAB CC(=O)O[C@@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 988104 SBKMXGVIXAFDHO-SJORKVTESA-N 317.772 4.112 0 40 DIAB CCCc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1 2518090 NWLRUEPDHZWVSE-UHFFFAOYSA-N 304.430 4.391 0 40 DIAB Cc1ccc(SCC(=O)Nc2cccnc2Cl)c(C)c1 3499339 KWOGAZFLDYOYDQ-UHFFFAOYSA-N 306.818 4.083 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(C)=O)c1 3611502 NDDZWOFGWVCDSE-UHFFFAOYSA-N 319.360 4.303 0 40 DIAB Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccc(F)cc1 5015547 ZQZBGSKTOMAUML-UHFFFAOYSA-N 309.340 4.324 0 40 DIAB O=C(O)c1cc(-c2ccccc2Cl)n(-c2ccc(F)cc2)n1 5680045 MKBNMFTYHIRBDQ-UHFFFAOYSA-N 316.719 4.030 0 40 DIAB C[C@H](NC1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 6837406 BJFCKKMOTKTDQM-HNNXBMFYSA-N 324.424 4.338 0 40 DIAB C[C@@H](Sc1ccc(F)cc1F)C(=O)NC1CCCCCC1 7855419 LIKCQDVFOXSJFH-LLVKDONJSA-N 313.413 4.284 0 40 DIAB CCCCCC(=O)Nc1ccccc1SCCCC(=O)O 8732881 UNZTVBHXLVGQTI-UHFFFAOYSA-N 309.431 4.162 0 40 DIAB Clc1ccccc1-c1noc(CCc2nc3ccccc3[nH]2)n1 9421381 RFAQSZUBYWKGII-UHFFFAOYSA-N 324.771 4.052 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1 12537109 WEWYVTZGKTUSAL-LJQANCHMSA-N 324.424 4.083 0 40 DIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc2cccnc12 14140893 KUPURMWOZZEKPI-UHFFFAOYSA-N 316.404 4.295 0 40 DIAB Cc1ccccc1OCCC(=O)Nc1ccc(C(F)(F)F)cc1 15080110 GXGLHOUWXDNKON-UHFFFAOYSA-N 323.314 4.421 0 40 DIAB COc1ccccc1CN(C)C(=S)Nc1ccc(Cl)cc1 16313925 GFDMMBBKRZMNQL-UHFFFAOYSA-N 320.845 4.177 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1F 22510179 JZBHVGQYXWDNHI-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB Cc1[nH]c2c(C(=O)N[C@H]3CCOc4ccccc43)cccc2c1C 24568114 IOULPGDTBDKNCM-KRWDZBQOSA-N 320.392 4.038 0 40 DIAB O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Cl)s1 32832683 DGGAHWQZDAHJOI-UHFFFAOYSA-N 312.725 4.129 0 40 DIAB Fc1ccccc1CCNc1ncnc2ccc(Cl)cc12 32905150 OGVONQZXKGFFNG-UHFFFAOYSA-N 301.752 4.077 0 40 DIAB O=C1/C(=C\c2ccc(Cl)cc2)N=C(S)N1c1ccccc1 33307912 NNTLJNZISPOILH-GXDHUFHOSA-N 314.797 4.014 0 40 DIAB Nc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 34478100 QEPMVAXZXLFRGC-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB CC(C)(C)OC(=O)N1CCC(Nc2ccccc2Cl)CC1 36878881 VNWVBOIKZGLVQW-UHFFFAOYSA-N 310.825 4.151 0 40 DIAB CC(C)Oc1cccc(CNC(=S)Nc2ccccc2F)c1 44239655 CSMNQXDLVAOKCM-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 44900697 UNMNSPTZKKQKRV-HZPDHXFCSA-N 311.425 4.202 0 40 DIAB CC(C)c1nnc(CN(C)Cc2ccccc2-c2ccccc2)o1 60372828 WBUDUYVPPZLCKH-UHFFFAOYSA-N 321.424 4.492 0 40 DIAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213501 PZIHCZVHGJDIED-UKRRQHHQSA-N 319.449 4.364 0 40 DIAB CCc1ccc([C@H](C)N[C@@H](C)CC(=O)Nc2ccccc2)cc1 78739041 ILQKCPWRQAHCKN-HOTGVXAUSA-N 310.441 4.317 0 40 DIAB Cc1noc(C)c1COc1ccccc1N1CCC[C@@H](C)C1 84025436 HJZBBEDJELXSKL-CYBMUJFWSA-N 300.402 4.107 0 40 DIAB O[C@H](c1cc2cc(Br)ccc2s1)C(F)(F)F 91356090 SSPRCJSMIZSHKZ-SECBINFHSA-N 311.122 4.260 0 40 DIAB COc1cc(F)c(NCc2c[nH]nc2-c2cccs2)cc1F 95450114 BEYSGWUJVIVHIP-UHFFFAOYSA-N 321.352 4.037 0 40 DIAB Cc1[nH]c(-c2cnn(-c3ccc(F)cc3)c2)nc1-c1ccccc1 95468277 PCBBETOKNRFRKX-UHFFFAOYSA-N 318.355 4.377 0 40 DIAB NC(=S)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 95929428 LEMVAUBCSCYVMI-UHFFFAOYSA-N 312.316 4.153 0 40 DIAB CC[C@H](NCc1ccn(C)c1)c1ccccc1Br 95968903 FBNRXWWVZLEWKI-HNNXBMFYSA-N 307.235 4.029 0 40 DIAB Cc1ccn2cc(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)nc2c1 102363772 PMFZCVMUIMRRGI-JDPPGYRCSA-N 300.833 4.472 0 40 DIAB O=C1C=C(Nc2c(Cl)cccc2Cl)CN1c1ccccc1 217440599 DAJHKBFAHURVJE-UHFFFAOYSA-N 319.191 4.336 0 40 DIAB C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)CCC2 223149937 FJZFYNUVPPSBSR-WEKMIXOTSA-N 309.384 4.205 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCC1CCCCC1 224453897 JHSCJBWXQDMOEW-SFHVURJKSA-N 303.446 4.157 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1 225722236 DVZXEDQKOZWJIK-SFHVURJKSA-N 305.418 4.009 0 40 DIAB Brc1cc(-n2cccc2)ccc1N1CCCCC1 226275931 IGXHREXDYRLPOK-UHFFFAOYSA-N 305.219 4.230 0 40 DIAB Cc1ccccc1CSCCNC(=O)c1ccccc1Cl 409024997 PEIFJBBYYINZOA-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB Brc1cncc(OC[C@H]2C[C@H]2c2ccccc2)c1 575424350 ZKNVSMORQGRKIH-DOMZBBRYSA-N 304.187 4.027 0 40 DIAB O=C(Cc1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1776001903 QTJQWHVHMNGAIP-IRXDYDNUSA-N 317.379 4.141 0 40 DIAB CCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC 178275 CTKOSTNRILVCNH-UHFFFAOYSA-N 315.394 4.186 0 40 DIAB biogenic Cc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)c1 253052 DHOWWMIRRLDLGM-UHFFFAOYSA-N 303.427 4.030 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC 503960 MZEZPVZLJYNYRC-UHFFFAOYSA-N 319.788 4.390 0 40 DIAB Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1 533529 LMAZXSRXTMOVNW-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 2096049 NGWRUZNJNSJOPC-UHFFFAOYSA-N 323.458 4.322 0 40 DIAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2323861 BZTSMNIIIDBIHN-VXGBXAGGSA-N 311.809 4.196 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1F 2634107 RYBYPSYVROJZRK-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB Cc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 3481255 JWWXAGRNFVZMCW-UHFFFAOYSA-N 303.789 4.445 0 40 DIAB O=C(CSc1nc(-c2ccccc2)ns1)c1ccccc1 4167311 NYRIXNYHQYURQS-UHFFFAOYSA-N 312.419 4.180 0 40 DIAB c1ccc(N[C@H]2[C@H](Nc3ccccc3)N2c2ccccc2)cc1 4235295 MWMUNXPTBJFBNY-WOJBJXKFSA-N 301.393 4.383 0 40 DIAB biogenic Cc1ccc(C)c(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)c1 4479484 MBNZTNMXQYBSLS-ZHACJKMWSA-N 319.364 4.005 0 40 DIAB Cc1csc(SCC(=O)Nc2ccc3ccccc3c2)n1 4668949 SIJCNDMDJKRMOB-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB Brc1ccc(CN2CCC(c3ccccc3)=N2)cc1 4691497 ADQKJIUIWZJQIN-UHFFFAOYSA-N 315.214 4.059 0 40 DIAB O=C(NC1CCCCCC1)c1ccc(OC(F)(F)F)cc1 5443397 IRMFOJSFSVAWJF-UHFFFAOYSA-N 301.308 4.038 0 40 DIAB CCOc1ccc([C@H](C)c2cc3c(cc2OCC)OCO3)cc1 5863517 SBVZBWOMJAGKPQ-ZDUSSCGKSA-N 314.381 4.365 0 40 DIAB Cc1sc2nc(CSCc3ccccc3)[nH]c(=O)c2c1C 6466109 BXRFNVNMUBFCRL-UHFFFAOYSA-N 316.451 4.035 0 40 DIAB CCN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccc(C)cc1 8363020 RGOFNOMYZZBFQW-ODVGHASUSA-N 312.394 4.212 0 40 DIAB CCc1cccc2sc(NC(=O)Cc3cccs3)nc12 10060559 UFHGFLPLMVWFBY-UHFFFAOYSA-N 302.424 4.101 0 40 DIAB Cc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12622046 JGYDTFSIDKMDFD-OAHLLOKOSA-N 301.386 4.101 0 40 DIAB O=C(Nc1ccccc1F)N[C@@H]1CCSc2c(F)cccc21 12746998 CQWWBJICXYSYBR-CYBMUJFWSA-N 320.364 4.323 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1nc2ccccc2s1 12807404 NMCVZTKZPJQPLS-AWEZNQCLSA-N 324.449 4.449 0 40 DIAB CCCCNC1=NN=C(C23CC4CC(CC(C4)C2)C3)[C@@H](C)S1 14068055 MIVXVTUQYVUZFS-QLFDAEIZSA-N 319.518 4.440 0 40 DIAB C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1cccs1 14249747 QYXIWNOJTRDVJN-SNVBAGLBSA-N 319.813 4.055 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2 14379169 YOCXGXKNUCFWNY-UHFFFAOYSA-N 313.422 4.472 0 40 DIAB CO[C@@H](C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 20238664 RJEBPGUEIBNSNZ-CQSZACIVSA-N 309.287 4.032 0 40 DIAB O=C(NCc1cc(-c2ccco2)on1)c1cccc2ccccc12 22768522 LZCBBTYAUUHXPI-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB CCCn1nccc1C(=O)Nc1ccccc1Cc1ccccc1 28222386 ADMVGVJHKUBYME-UHFFFAOYSA-N 319.408 4.136 0 40 DIAB COC(=O)c1oc(CN2CCC[C@@H]2c2ccccc2C)cc1C 40153677 AONSGHUSWDDFPH-QGZVFWFLSA-N 313.397 4.020 0 40 DIAB COc1c(C(=O)OC(C)C)cc2ccccc2c1Br 40544706 ZJEGZNNYTOILFV-UHFFFAOYSA-N 323.186 4.176 0 40 DIAB CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(Cl)s1 44868025 GWNDLSWBGSAFEI-UHFFFAOYSA-N 319.817 4.084 0 40 DIAB CCCCN(CC)c1ccc(C(=O)Nc2ncc(C)s2)cc1 58155821 NEMOIJIFRXIIJJ-UHFFFAOYSA-N 317.458 4.330 0 40 DIAB CC(C)N1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214338 SYWXQAFQJAWZAY-OAHLLOKOSA-N 319.449 4.364 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1 86372382 ZHDPBWBNPIQKOM-ZDUSSCGKSA-N 323.396 4.196 0 40 DIAB COc1ccc2cc(C(=O)c3ccc(OC)c(F)c3)ccc2c1 95917103 CGQDBFBJJNGTLB-UHFFFAOYSA-N 310.324 4.227 0 40 DIAB COc1cccc2c1CC[C@H]2N[C@H](c1ncc(C)s1)C1CC1 95968576 GNKQOTINDNRGAV-WBVHZDCISA-N 314.454 4.188 0 40 DIAB Clc1ncc(Br)c(-c2c[nH]c3ccccc23)n1 98181676 BGPOKROODJQYFN-UHFFFAOYSA-N 308.566 4.041 0 40 DIAB CC(C)(C)OC(=O)NCc1ccc(Br)cc1Cl 113987263 ZDIRUAQDCKGGMH-UHFFFAOYSA-N 320.614 4.127 0 40 DIAB COC(=O)[C@H](C(C)C)N1c2ccc(C)cc2C(C)=CC1(C)C 223210938 YINRYDWHIPQMAQ-KRWDZBQOSA-N 301.430 4.195 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2ccc(F)cc2)c1 225391542 CDBVCZXLVDCIAQ-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB CCc1ccccc1NC(=O)Cc1cccc(Br)c1 225612060 WIUCUVLULUFJIT-UHFFFAOYSA-N 318.214 4.193 0 40 DIAB COc1cccc(NC(=O)NCCCc2ccccc2Cl)c1 225762745 ZAUOWVNOABDTDO-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1Cl 226261192 HGSMUBSWQJJNQR-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB O=C(/C=C/c1ccco1)N[C@H](c1ccsc1)c1cccs1 390827496 YRIFUPIMJXVLAU-SQRWCISFSA-N 315.419 4.322 0 40 DIAB CO[C@H]1CN(C2CCCCC2)CC[C@@H]1Cc1ccc(F)cc1 1615084258 JIUNKDWMSXTLJH-APWZRJJASA-N 305.437 4.038 0 40 DIAB Cc1nc2ccc(C(=O)NC3CCCCCCC3)cc2nc1C 217472 IHXIDSYEYGIFEC-UHFFFAOYSA-N 311.429 4.089 0 40 DIAB Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1C 574410 BQINEVNHUHYCKF-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)cs2)cc1 1018816 VAYLQJWRNANUSQ-UHFFFAOYSA-N 320.483 4.480 0 40 DIAB CCC[C@@H](C)OC(=O)C[C@@H](c1ccccc1)N1CCCCC1 1569405 RRODMYNEUWOESW-AEFFLSMTSA-N 303.446 4.336 0 40 DIAB CCCCCC[C@H](C)C(CC)(C(=O)OCC)C(=O)OCC 4403441 NFTMPERJCITLJW-AWEZNQCLSA-N 300.439 4.116 0 40 DIAB CCc1cccc(CC)c1NC(=O)c1c(OC)cccc1OC 5477438 DWCZCJABNPUTEF-UHFFFAOYSA-N 313.397 4.081 0 40 DIAB O=C(Nc1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 5785950 XFLTUBVBPKZKDY-UHFFFAOYSA-N 321.367 4.443 0 40 DIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)c1 6654281 UKMOCSGCPDZZAC-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB COc1ccc2nc(C)cc(Oc3ccc4c(c3)OCO4)c2c1 6831713 XJTJGVDGPPPHTL-UHFFFAOYSA-N 309.321 4.073 0 40 DIAB O=c1[nH]c2ccccc2nc1/C=C/c1ccccc1C(F)(F)F 7130321 HBVWZWKCIOLAQX-MDZDMXLPSA-N 316.282 4.112 0 40 DIAB O=C(Cc1csc(-c2ccsc2)n1)NC1CCCCCC1 8428122 CWLSFVRIWYUEFZ-UHFFFAOYSA-N 320.483 4.253 0 40 DIAB Cc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 8916186 MKEKDUAAODROAN-UHFFFAOYSA-N 321.833 4.191 0 40 DIAB CCCCCCOc1c(Cl)cc(C(=O)O)cc1OCC 11956983 XFMOEFCJISIEIG-UHFFFAOYSA-N 300.782 4.396 0 40 DIAB CCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc21 13140340 WCERJOZSLBOGKY-UHFFFAOYSA-N 307.397 4.315 0 40 DIAB CC(=O)c1cccc(NC(=O)c2cc3cc(C)ccc3nc2C)c1 14128885 OJWFJELWHXJPBO-UHFFFAOYSA-N 318.376 4.307 0 40 DIAB N#[N+]Nc1ccccc1C(=O)Oc1c(Cl)cccc1Cl 15022573 SUILBKUZHJRXDR-UHFFFAOYSA-O 309.132 4.393 0 40 DIAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 15693863 IKLPUGDXHAQHNE-GFCCVEGCSA-N 321.392 4.243 0 40 DIAB CC(C)c1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)cc1 16777310 SEYLSKDQCRFQJU-UHFFFAOYSA-N 320.396 4.035 0 40 DIAB CCc1c(-c2ccc(OC)cc2)nn(C)c1-c1ccc(OC)cc1 17056086 PHVMDCFUSPMBNK-UHFFFAOYSA-N 322.408 4.334 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20038753 CNMWCQVIOZMTPR-APWZRJJASA-N 311.425 4.338 0 40 DIAB Cc1c(NC(=O)c2cccc3ccccc23)cccc1C(=O)O 20138909 RDLWECORCNNXKV-UHFFFAOYSA-N 305.333 4.099 0 40 DIAB CO[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 20238667 RJEBPGUEIBNSNZ-AWEZNQCLSA-N 309.287 4.032 0 40 DIAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 22530559 GSHXTCKCPQODIP-LBPRGKRZSA-N 319.401 4.344 0 40 DIAB O=C(OCc1ccc(Cl)nc1)c1cc2cc(F)ccc2s1 26560757 RMZNUVGJSCDWPB-UHFFFAOYSA-N 321.760 4.446 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc3ccccc3[nH]1)C2=O 33693872 BHTMTONVMPPLBO-NCAQKEMTSA-N 300.427 4.049 0 40 DIAB CCc1ccc(Nc2cc(C(=O)OC)nc3c(F)cccc23)cc1 38486816 IXWDLYCWIJWHCW-UHFFFAOYSA-N 324.355 4.467 0 40 DIAB CN(c1ccccc1)c1ccccc1C(=O)Nc1nccs1 40119749 HRLYIVRAAOGJOJ-UHFFFAOYSA-N 309.394 4.163 0 40 DIAB Cc1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 45709067 MTHQWWWNZSAZTO-UHFFFAOYSA-N 314.454 4.269 0 40 DIAB Cc1cccc2sc(-c3cncc(Br)c3)nc12 45946797 LRDKIKHBYHJIDO-UHFFFAOYSA-N 305.200 4.429 0 40 DIAB c1csc(CCNc2nnc(SC3CCCC3)s2)c1 58209394 UARVWIZRWPJIBS-UHFFFAOYSA-N 311.501 4.289 0 40 DIAB O=C(Nc1cc(F)ccc1F)N(Cc1cccs1)C1CC1 65564053 AFGJCBCAEGCHJS-UHFFFAOYSA-N 308.353 4.223 0 40 DIAB O=C(CCc1ccc(Cl)s1)N1CCC[C@H]1c1ccc[nH]1 71818793 FXPRTHILCYRFBX-ZDUSSCGKSA-N 308.834 4.026 0 40 DIAB FC(F)(F)c1cccc2sc(NCc3ccccn3)nc12 85436309 WGIDZNFLADEZOF-UHFFFAOYSA-N 309.316 4.322 0 40 DIAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1ccncc1 95436256 YWWAPYIZPHQYFD-UHFFFAOYSA-N 313.401 4.349 0 40 DIAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C)c(C)c2)no1 106832844 VFZMRIQZNKUHAW-LMMKCTJWSA-N 324.424 4.067 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225346902 IKPGIDCIZJNNDI-UEKVPHQBSA-N 312.240 4.231 0 40 DIAB O=C(CCc1cccc(Cl)c1)Nc1cncc2ccccc12 535461664 YNKVVMYWRZOLAS-UHFFFAOYSA-N 310.784 4.460 0 40 DIAB CC(C)NC(=O)c1ccc(COc2cccc3ccccc23)o1 115432 FAZZQYAOJGTVCU-UHFFFAOYSA-N 309.365 4.150 0 40 DIAB COc1ccc(-c2nc3ccccn3c2NCCC(C)C)cc1 417105 VOYABOFLTAUFHZ-UHFFFAOYSA-N 309.413 4.468 0 40 DIAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C 493265 PCDVQYKPGWJJDR-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB CC(=O)Nc1cccc(-c2csc(Nc3ncccc3C)n2)c1 813398 UAYLLECBLYMAKE-UHFFFAOYSA-N 324.409 4.216 0 40 DIAB CCOC(=O)c1ccc(N[P@](C)(=O)Oc2ccccc2)cc1 1268766 OXEPRJBULCNAKN-JOCHJYFZSA-N 319.297 4.177 0 40 DIAB O=C(c1ccc(CN2CCC2)cc1)c1cc(Cl)cc(Cl)c1 2514642 RKPFAEXMXHLUSW-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 2625480 IPNRVDFOJVDBNN-SECBINFHSA-N 312.847 4.224 0 40 DIAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)c1cccc(Cl)c1 2662880 ZBWLOPCHXAAKEW-AEZGRPFRSA-N 320.797 4.229 0 40 DIAB Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NCCS1 3223755 VKSHVBHPLMRYHN-UHFFFAOYSA-N 311.410 4.136 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1 3514993 JRBOHPPPLUFMHY-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 3553585 DXAJHWILMUCRHP-ZDUSSCGKSA-N 313.397 4.470 0 40 DIAB Cc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1C 3603038 ZNHGVGQBGYYJIT-UHFFFAOYSA-N 322.235 4.469 0 40 DIAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)[C@H](C(=O)O)C1 4651534 CUMYYBACRQOPSC-IAGOWNOFSA-N 315.413 4.196 0 40 DIAB CC1=C([C@@H](C)O)CC[C@@H]2[C@@H]1C[C@@H]1[C@@H]2CC[C@H]2C[C@@H](O)CC[C@@]21C 4744207 YSSGDUVIZMUPCF-DSKJHRASSA-N 318.501 4.307 0 40 DIAB COc1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2)c1 6276120 DMXLYCMOBPBEMD-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl 6811443 UWHDJFBCELFWND-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 8314066 JAERXEUJCFJKDC-UHFFFAOYSA-N 322.408 4.096 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Cl)cc1)C2 11326559 LERNLNQTMZWSGO-HNNXBMFYSA-N 303.814 4.304 0 40 DIAB Cc1ccc(-c2noc(CN(C)[C@H](C)c3cccs3)n2)cc1 12758254 CPSAKYNYQGMBFI-CYBMUJFWSA-N 313.426 4.300 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)NCCCSc1ccccc1 12818914 OAEAXLXRJPIESE-UHFFFAOYSA-N 324.449 4.009 0 40 DIAB Cc1ccc(OCc2n[nH]c(=S)n2C2CCCCC2)cc1 13113537 MXJSDZMZXFRRCO-UHFFFAOYSA-N 303.431 4.333 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 14796301 RFHAXOCRNJIJSM-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(F)c(F)c1 15695669 WUILBENOYHMERB-SECBINFHSA-N 318.348 4.066 0 40 DIAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc(F)cc1 23689700 KHAZIOGSZKAZNA-GFCCVEGCSA-N 303.402 4.429 0 40 DIAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1F 23996262 ZIKMJLKVYSJGPD-JTQLQIEISA-N 311.278 4.336 0 40 DIAB CCCC[C@H](CC)CNC(=O)/C=C/c1cc(OC)ccc1OC 27563258 MCCSHSBZKSJYFM-RZXPCSSPSA-N 319.445 4.050 0 40 DIAB CCOc1ncccc1CNc1ccnc2cc(Cl)ccc12 32779280 SCIQKDPQTGVPHG-UHFFFAOYSA-N 313.788 4.294 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1 36562774 NIJCKRUXRABDER-BBRMVZONSA-N 317.816 4.375 0 40 DIAB Cc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C(C)C 44885092 ASHPEIGUAUVFKF-INIZCTEOSA-N 311.425 4.202 0 40 DIAB C[C@H](C1CC1)N(Cc1ccccc1)C[C@H](O)c1cccc(F)c1 48368797 FPDDPTLDINSGBI-QRWLVFNGSA-N 313.416 4.160 0 40 DIAB IC12CCC(c3ccccc3)(CC1)CC2 68677069 TVVRSXCGKKTINL-UHFFFAOYSA-N 312.194 4.466 0 40 DIAB CCSc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72217129 IRDSLQQRCGAYSJ-MRXNPFEDSA-N 312.438 4.171 0 40 DIAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccn1 72346614 MKNOIXQDWTUTRO-QGZVFWFLSA-N 322.408 4.038 0 40 DIAB CCc1nnc(CNc2cccc(Cl)c2SC(C)C)o1 76061847 OVVRHRIYORTJMT-UHFFFAOYSA-N 311.838 4.398 0 40 DIAB Cc1ccc(N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1 78582378 QAVPMEVWARFLAG-UHFFFAOYSA-N 320.392 4.286 0 40 DIAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(Cl)c1 96586366 CKFNCQRVUGDDHY-UHFFFAOYSA-N 315.800 4.236 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)o1 98081469 OXMJNNNWMRVDBI-IUJLQVPDSA-N 310.397 4.121 0 40 DIAB Clc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100716825 HMJBJENBLPCCGC-CYBMUJFWSA-N 314.801 4.049 0 40 DIAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 107327363 FCYFMXXFYWMBRG-RZLSGREXSA-N 303.471 4.410 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223489940 MSUQDTOSFQKWOW-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2ccc(N)cc2Cl)cc1 227158410 UYHSKTLRPMXTNU-UHFFFAOYSA-N 318.804 4.063 0 40 DIAB O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 6681 XHIQZUNDUKHSQA-UHFFFAOYSA-N 322.408 4.140 0 40 DIAB Cc1cc(C(=O)NCc2ccccc2Cl)c2ccccc2n1 217253 YSAIVZLHCRYKHX-UHFFFAOYSA-N 310.784 4.127 0 40 DIAB CC(=O)Nc1cccc(C(=O)OCc2cccc3ccccc23)c1 515428 ZCCQOEQIOZFLBD-UHFFFAOYSA-N 319.360 4.155 0 40 DIAB Cc1nc(OC(C)C)c2sc(=S)n(-c3ccccc3)c2n1 1422573 HQFQOSHTPFQANU-UHFFFAOYSA-N 317.439 4.307 0 40 DIAB COc1cc(NCCCCNCC(C)(C)C)c2ncccc2c1 1599095 UAYNUYPVMSWBAB-UHFFFAOYSA-N 315.461 4.071 0 40 DIAB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccccc1Cl 2323857 BZTSMNIIIDBIHN-RYUDHWBXSA-N 311.809 4.196 0 40 DIAB CCOc1ccccc1OCCCCCCNCc1ccco1 3247113 DPEGLGFTKYKHPU-UHFFFAOYSA-N 317.429 4.407 0 40 DIAB CCOC(=O)C(=O)N(c1ccccc1)c1cccc2ccccc12 3249279 YFJPVDQHHJXJEU-UHFFFAOYSA-N 319.360 4.068 0 40 DIAB Cc1csc(N(C(=O)Cc2ccccc2)c2ccccc2)n1 3554666 NULNLDRWSMNYKM-UHFFFAOYSA-N 308.406 4.359 0 40 DIAB CCc1c(C)nc(SCc2cccc3ccccc23)[nH]c1=O 5155352 OVJAPRYPYCRFSZ-UHFFFAOYSA-N 310.422 4.086 0 40 DIAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(F)(F)F 5705207 UDXYGVPKHMQGBH-UHFFFAOYSA-N 322.311 4.464 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1 6552201 RXLSOSMLKIBUPI-MRXNPFEDSA-N 310.441 4.271 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1C 6811348 RAMMZWDAJVJAJI-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB CCN1C(=O)/C(=C/c2c(F)cccc2Cl)c2ccccc21 6953633 RHVHVQJJKABASE-ZRDIBKRKSA-N 301.748 4.386 0 40 DIAB O=C(c1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071563 RRLWIEGQUIGLBS-UHFFFAOYSA-N 302.377 4.097 0 40 DIAB Cc1ccccc1COc1ccc(C=O)cc1Br 11800889 BKZYIBBLTLOWBH-UHFFFAOYSA-N 305.171 4.149 0 40 DIAB Cc1cc(C)c2cc(CNCc3ccco3)c(Cl)nc2c1 13535440 ZAIAWZIPUHTBRT-UHFFFAOYSA-N 300.789 4.388 0 40 DIAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 14185434 JUZNLIKNJZLBPF-UHFFFAOYSA-N 324.468 4.075 0 40 DIAB Cn1ccc([C@@H]2CCCCCN2Cc2c(F)cccc2Cl)n1 19291046 FTLHJZMIMWZYGQ-KRWDZBQOSA-N 321.827 4.330 0 40 DIAB Cc1c(N)cccc1NC(=O)c1cccc(OCCC(C)C)c1 19736336 RPVKKXMICYOXFF-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)NC2CCCCCCC2)c1C 20110185 FGQXLIHWLQJNGZ-INIZCTEOSA-N 303.446 4.300 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1 21796697 RANPPECZMIXAPZ-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc3c(cc2Cl)OCO3)C1(C)C 27220659 JWJXECVIFYDOET-BMIGLBTASA-N 321.804 4.246 0 40 DIAB CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1 28405493 WESUVQVDBKCGIV-UHFFFAOYSA-N 310.378 4.316 0 40 DIAB Cc1c(Cl)ccc([C@@H](O)CN(C)Cc2ccccc2)c1Cl 31912240 NTIUTEYRJPOJNH-INIZCTEOSA-N 324.251 4.467 0 40 DIAB Cc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 32644271 KSZZEBRTDYVTPR-UHFFFAOYSA-N 322.433 4.224 0 40 DIAB C[C@H](C1CC1)N(Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 32814812 GTFWJJBJMZEYQK-GFCCVEGCSA-N 300.377 4.244 0 40 DIAB Fc1ccc(-c2nnc(NC[C@H]3CCCO3)c3ccccc23)cc1 33012179 MTEPKFUXNDZUGT-OAHLLOKOSA-N 323.371 4.027 0 40 DIAB Cc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1 37499105 GSUDLXCJRZXTNM-LBPRGKRZSA-N 318.214 4.249 0 40 DIAB Cc1cccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45888485 KAHMBRZWNJRFKR-UHFFFAOYSA-N 311.410 4.056 0 40 DIAB CSC(SC)=C1CCC[C@@H]2C1=NN[C@@H]2c1ccccc1 51329751 KZGYSMOCJQUBEP-GXTWGEPZSA-N 304.484 4.425 0 40 DIAB Cc1ncccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 73357288 HYNIIDAQZPEODP-UHFFFAOYSA-N 300.361 4.214 0 40 DIAB Oc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(Cc1ccoc1)CC3 104199175 RDALYHSEPOUIRE-TYPHKJRUSA-N 323.436 4.244 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)NC(C)(C)CC(C)(C)C)cc1C 224602631 SMQKHOSTUFRBAI-OAHLLOKOSA-N 305.462 4.402 0 40 DIAB CC(C)C(NC(=O)[C@H](C)Oc1cccc2c1CCCC2)C(C)C 224868810 RAHLKWISBIXHBN-HNNXBMFYSA-N 317.473 4.130 0 40 DIAB CCc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224978771 LXRBDDBBWVUFQK-UHFFFAOYSA-N 322.452 4.421 0 40 DIAB CCC[C@H](C)NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258861 DNAVLEMXHMFDKZ-ZDUSSCGKSA-N 307.397 4.148 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1 225313212 WHJPFDDEQYVZOB-UHFFFAOYSA-N 315.844 4.410 0 40 DIAB Cc1cc(NC(=O)c2ccccc2)ccc1-c1ccc(C(=O)O)o1 226356358 HCMNHIWOCOKGBF-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB Cc1cc(N)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 227145571 XDZOWFKTSKASDR-UHFFFAOYSA-N 318.804 4.027 0 40 DIAB CCOC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C 36689 KFEPJLQRLWJXIT-UHFFFAOYSA-N 309.365 4.232 0 40 DIAB C[C@@]12C[C@@H](NC(=O)N1c1ccccc1)c1cc(Cl)ccc1O2 424794 MOEQGHLNHOQCHE-RHSMWYFYSA-N 314.772 4.110 0 40 DIAB O=C(c1cccs1)N(C(=O)N1CCCCC1)c1ccccc1 1651723 UVOZQWBNNOMDKK-UHFFFAOYSA-N 314.410 4.001 0 40 DIAB Cc1ccc(CSc2nnc(C)n2-c2ccc(C)cc2)cc1 4354779 BDYHTDVZCIEGCL-UHFFFAOYSA-N 309.438 4.485 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)ccc1Cl 4734891 MJVVIQWOTSANLF-JTQLQIEISA-N 324.833 4.128 0 40 DIAB CCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 5614557 ZDUSLBJBDAUXFJ-UHFFFAOYSA-N 310.397 4.411 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(C)cc2C)c(C)c1 6964867 KMHXZOXJHULTEH-UHFFFAOYSA-N 300.427 4.429 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Br)cc2)c(F)c1 7265132 FYMOEBAYOLCBRJ-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCN(CC)c1ccc(NC(=O)Cc2cccc(C)c2)c(C)c1 8723333 ONVZWGGKHDEHBH-UHFFFAOYSA-N 310.441 4.331 0 40 DIAB CCCSc1ncc(Cl)c(C(=O)Nc2cccc(C)c2)n1 9431810 UTBYGOFELAFIFF-UHFFFAOYSA-N 321.833 4.193 0 40 DIAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 10040297 BIXJNDDDTPMKCN-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCc1ccccc1NC(=O)Cc1cc(-c2cccs2)on1 12422245 SXLQFJJYMOSNFZ-UHFFFAOYSA-N 312.394 4.147 0 40 DIAB CCN(C(=O)c1ccc(C)c(F)c1)c1nc2ccccc2s1 12819457 GQBLVKHGONYPEI-UHFFFAOYSA-N 314.385 4.411 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710407 MNUBTGSVHVOZNE-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB COc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCc2ccncc2C)cc1 19239542 UROATCKCVJSPEU-DOIPELPJSA-N 322.452 4.071 0 40 DIAB CCCc1ncc(CN[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cn1 19525783 PAPSKKLIZVECSO-UYWIDEMCSA-N 321.468 4.101 0 40 DIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 20025517 AZAISFPMYJKOLC-LBPRGKRZSA-N 303.789 4.148 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N1c2ccccc2C[C@H]1C 20050233 DRZNNQASBBEJQL-BEFAXECRSA-N 309.409 4.130 0 40 DIAB Cc1ccccc1CNC(=O)CSCc1cccc(Cl)c1 20238067 JVPZZYBQWDYEIA-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB COc1cc(-c2cc(=O)c3cc(Cl)c(C)cc3o2)ccc1O 20272616 IRDNLBJYBJGZKE-UHFFFAOYSA-N 316.740 4.136 0 40 DIAB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1C 26844503 AHTZLQPGLAXJMC-UHFFFAOYSA-N 310.802 4.033 0 40 DIAB Cc1nc(C2(NC(=O)CCC3CCCCC3)CCCCC2)no1 28617201 VRULMUCZSNEMKD-UHFFFAOYSA-N 319.449 4.014 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C)cc(C)c1 30869458 JNJFBTVNRROLGT-SFHVURJKSA-N 313.397 4.108 0 40 DIAB C[C@H](O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 35646261 KWYUSLUCZDLSLW-VIFPVBQESA-N 310.180 4.299 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 40525379 LZBGZJQHPNVERP-GFCCVEGCSA-N 300.324 4.110 0 40 DIAB COc1cccc(OCC(=O)Nc2c(C)cccc2C(C)C)c1 40945443 YKYGLPYWXZOYAY-UHFFFAOYSA-N 313.397 4.145 0 40 DIAB Clc1cc(-c2ccccc2)ccc1OC[C@H]1CCCNC1 42774992 SQMCCKVIUMPBOB-AWEZNQCLSA-N 301.817 4.385 0 40 DIAB COc1ccc(-c2cnc(SC)n2-c2ccc(F)cc2)cc1 44086996 NBJGNQKRPTVAGM-UHFFFAOYSA-N 314.385 4.409 0 40 DIAB CCOc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1 44900129 RRIYYRVLWVGCOE-DHZHZOJOSA-N 315.800 4.068 0 40 DIAB Cc1ccccc1-c1cc(-c2nc(-c3cccc(F)c3)no2)[nH]n1 46914422 BQAWSNNDUXCBQL-UHFFFAOYSA-N 320.327 4.241 0 40 DIAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1C 58417667 VWXMVKUVNWXIDM-QGZVFWFLSA-N 323.392 4.009 0 40 DIAB CCOc1cccc([C@H](C)NC(=O)C(C)(C)c2ccccc2)c1 60183556 ZOIPSSUJNZELRQ-HNNXBMFYSA-N 311.425 4.240 0 40 DIAB Cc1cc(NC(=O)Nc2ccccc2C)n(Cc2ccccc2)n1 65752795 OMSVAXRHMZRVEY-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccc(OC)c(F)c1 71325884 SHTOHRBFPRXGDT-UHFFFAOYSA-N 320.389 4.042 0 40 DIAB CCCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213222 SOQNEISEGLNXGQ-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1c1nccs1 72285834 ISFNZCCWGACJCG-ZBFHGGJFSA-N 314.454 4.076 0 40 DIAB CCc1nn(C)cc1CN[C@@H](C)c1cc(Cl)ccc1Cl 92375663 PABRGWQGIBRWNY-JTQLQIEISA-N 312.244 4.140 0 40 DIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 95461560 HNOCUEQPXOQWMO-UHFFFAOYSA-N 320.392 4.316 0 40 DIAB FC(F)(F)C(Oc1ccc(Br)cc1)C(F)(F)F 98210656 ZMGZYKQWHJEXQT-UHFFFAOYSA-N 323.030 4.321 0 40 DIAB Cc1ccccc1CSCC(=O)NCCC1=CCCCC1 104513006 UISGOUPPXIJPPA-UHFFFAOYSA-N 303.471 4.235 0 40 DIAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118912572 WYZDXEKUWRCKOB-WVSUQSNYSA-N 304.474 4.349 0 40 DIAB c1cnc2c(CN3CCC[C@H](c4nccs4)C3)cccc2c1 157000177 SAGPSNUOYPCZQL-INIZCTEOSA-N 309.438 4.071 0 40 DIAB O=C(c1c(F)cc(Br)cc1F)C1CCCCC1 164028666 SMJSWAQOVFXKPD-UHFFFAOYSA-N 303.146 4.490 0 40 DIAB O=C(c1ccccn1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206879371 KEVCWQWBOAHHOZ-OAHLLOKOSA-N 314.816 4.145 0 40 DIAB COC(=O)c1cn(C(=O)CCc2ccc(C)cc2)c2ccccc12 222599201 XQPRSDLOHUYZQG-UHFFFAOYSA-N 321.376 4.009 0 40 DIAB CCC[C@H](C(=O)OC)N1c2cc(C)ccc2[C@@H](C)CC1(C)C 223218965 USZLGCZWFINSHK-GOEBONIOSA-N 303.446 4.429 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(F)cc2[C@@H](C)CC1(C)C 223219541 BVUQYDFSCDYJHH-BLLLJJGKSA-N 307.409 4.260 0 40 DIAB COc1ccccc1CN(C)C(=O)C1(c2ccccc2)CCCC1 224284428 ZTWAWJDVMPWMSJ-UHFFFAOYSA-N 323.436 4.166 0 40 DIAB CCCCc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)O)cc1 225127836 HQHCGTPPCXOLFN-IBGZPJMESA-N 312.409 4.412 0 40 DIAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 225482759 WEUQRNSRORGCLB-MRXNPFEDSA-N 315.800 4.156 0 40 DIAB CC(C)C[C@@H](N)C1(c2cc(Br)ccc2F)CCC1 1772714897 FLBOPFCNUGMSAX-CQSZACIVSA-N 314.242 4.383 0 40 DIAB COc1ccc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2c1 28439 PNGQTNOFXWGWDD-KBPBESRZSA-N 324.405 4.047 0 40 DIAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 31499 MKINGPFIJBIRTL-SNVBAGLBSA-N 321.471 4.091 0 40 DIAB Fc1nc(F)c(F)c(Sc2cccc3cccnc23)c1F 227414 LTDWUYCRXHWEDH-UHFFFAOYSA-N 310.275 4.337 0 40 DIAB CN(C)c1ccc(NCc2cccc(Br)c2)cc1 516939 FMMUOEDYDHBYDL-UHFFFAOYSA-N 305.219 4.127 0 40 DIAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CC1 3200793 JQSFBDLBTYYFMZ-UHFFFAOYSA-N 313.209 4.465 0 40 DIAB CSc1cccc2sc(NC(=O)c3ccccc3)nc12 5299207 DQLKKVLMYFDACN-UHFFFAOYSA-N 300.408 4.271 0 40 DIAB Cc1nc2ccc(C(=O)O[C@H](C)c3ccc(F)cc3)cc2nc1C 5518804 JRNHXYSGWNIHNZ-CYBMUJFWSA-N 324.355 4.304 0 40 DIAB CSc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 6315901 QCVUABPNFRQRME-UHFFFAOYSA-N 321.467 4.333 0 40 DIAB CCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 6340938 ITPFUYIDGGHUPS-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB CC(C)(C(=O)Nc1ccc(Br)cc1)c1ccccc1 7609515 RKFVVMIISFDTOG-UHFFFAOYSA-N 318.214 4.365 0 40 DIAB COc1ccc(C)cc1NC(=O)C1(c2ccccc2)CCCC1 8075388 ZRMWQPSCKCETGD-UHFFFAOYSA-N 309.409 4.454 0 40 DIAB CC(C)C[C@@H](NC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 8719853 DHIGGTSWPVKQCN-QGZVFWFLSA-N 322.412 4.472 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9827774 GKSKWULMIQDQGR-UHFFFAOYSA-N 322.408 4.121 0 40 DIAB Cc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12621952 KIUJJMTXPWBIRP-HNNXBMFYSA-N 301.386 4.101 0 40 DIAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 12625780 ZQVLRDVPDPVVEW-GOSISDBHSA-N 321.424 4.389 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(C)c1 12916484 BYLGXBPLJJBBFD-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB C[C@@]1(c2ccccn2)Nc2ccccc2-c2nc3ccccc3n21 13127393 SQBZVSZHPKOQSX-HXUWFJFHSA-N 312.376 4.245 0 40 DIAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 13399473 QGKQXZFZOIQFBI-BJOXDUDZSA-N 306.490 4.141 0 40 DIAB CC(C)Oc1cccc(CNC(=O)c2cccc(Cl)c2)c1 13671030 UKHKJQNJUHEHHA-UHFFFAOYSA-N 303.789 4.057 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1Cl 13789834 CXGFSROKAAURPQ-UHFFFAOYSA-N 320.801 4.186 0 40 DIAB C[C@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17030793 DZOJHFYRUWMBQF-JTQLQIEISA-N 302.365 4.134 0 40 DIAB Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1F 17361128 YAVJEMCQBYOJQM-UHFFFAOYSA-N 301.361 4.390 0 40 DIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(N)c1C 19736246 RPPRFYUHWVKYLP-ZDUSSCGKSA-N 312.413 4.108 0 40 DIAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c(N)c1 19736438 PXZWOKCAIIBRLS-UHFFFAOYSA-N 318.804 4.063 0 40 DIAB C[C@@H](NC(=O)c1cccc(F)c1)c1cccc(Br)c1 20029676 UMNFPKQETUCEJZ-SNVBAGLBSA-N 322.177 4.079 0 40 DIAB Cc1nc2ccccc2nc1COc1ccc2c(c1)CCCC2 20343060 UEPISOOYLBMXKU-UHFFFAOYSA-N 304.393 4.396 0 40 DIAB Cc1ccc(-c2csc(NC(=O)c3cccc(C)n3)n2)c(C)c1 24824837 JSUFYWVZMGUXEC-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2cccc(Cl)c2)C1(C)C 25156375 DZGGZMMTMKPSGE-CVEARBPZSA-N 305.849 4.237 0 40 DIAB CCCn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 28232683 PQYOIUPISXDQTF-UHFFFAOYSA-N 324.449 4.414 0 40 DIAB Nc1c(Cl)cc(Nc2nccc(C(F)(F)F)n2)cc1Cl 29384912 BXVKQOVNPRBGFJ-UHFFFAOYSA-N 323.105 4.128 0 40 DIAB O=C(/C=C/c1cccnc1)N[C@H](c1cccs1)C1CCCC1 31803603 OIQKVLWAMNNOGX-BBVFFXRHSA-N 312.438 4.204 0 40 DIAB O=C(Cc1ccc(F)cc1)N(Cc1cccc2[nH]ccc12)C1CC1 32074419 LJMJPCRIRYUFSS-UHFFFAOYSA-N 322.383 4.041 0 40 DIAB O=C(/C=C/c1ccccc1)O[C@H](c1ccccc1)c1ccccn1 42622219 JPAQXNGFINDQDM-IBUXMESJSA-N 315.372 4.428 0 40 DIAB CN(CC1CC1)C(=O)c1cc(-c2cccs2)nc2ccccc12 47919618 FMQBFHIFBMYUPI-UHFFFAOYSA-N 322.433 4.445 0 40 DIAB O=C(CCN(Cc1ccco1)C1CCCC1)Nc1ccccc1 53140498 DELOMMFFYOLVLE-UHFFFAOYSA-N 312.413 4.053 0 40 DIAB O=C(Nc1cccc2cccnc12)N1CCC[C@H]1C1CCCC1 56563566 JUKOQAJEFVBTJK-KRWDZBQOSA-N 309.413 4.421 0 40 DIAB C[C@H](Sc1ncccc1Cl)C(=O)N(C)C1CCCCC1 58528711 SNWCHYPKESVSPK-NSHDSACASA-N 312.866 4.007 0 40 DIAB O=C(NC1CC1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 65890464 IERDDKQAJFOUSD-UHFFFAOYSA-N 322.195 4.024 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1C[C@@H]1c1ccco1 70014793 CDAFCLNMLYKGOO-UWVGGRQHSA-N 316.407 4.207 0 40 DIAB Cc1cccc2cc(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)oc12 95449015 ATSAJEWLYDWUCA-GDBMZVCRSA-N 315.413 4.065 0 40 DIAB C[C@H](N[C@H](Cc1ccccc1)c1ccccc1F)c1cnccn1 95968327 AOWTZTFLDZAIAK-HNAYVOBHSA-N 321.399 4.250 0 40 DIAB Cc1cc(N2CCCC2)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103451882 YNHCZLQREPWMBW-YESZJQIVSA-N 312.457 4.360 0 40 DIAB Cc1ccc(Nc2nc(C(=O)N3CCCCC3)cs2)cc1C 199431684 WOMYAUZMSHHVQO-UHFFFAOYSA-N 315.442 4.130 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222743529 RTXGXQUSPIJCOH-MRXNPFEDSA-N 313.466 4.414 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(C)ccc2C(C)=CC1(C)C 223217648 SVMHWRDTGKSPBE-INIZCTEOSA-N 301.430 4.339 0 40 DIAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1Cl 224332343 WPGOGVQNCOGDFE-UHFFFAOYSA-N 307.802 4.323 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCC1=CCCCC1 224465705 XNBWATBBMWOJMG-QGZVFWFLSA-N 301.430 4.077 0 40 DIAB C[C@@H]1CCC[C@@H](C)N1c1c(Cl)cc(N)cc1Br 226316478 FVOGJLOWIDSTRH-RKDXNWHRSA-N 317.658 4.452 0 40 DIAB Cc1cccc(CNC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)n1 574984281 KPGSXFJQEVHOMZ-SFHVURJKSA-N 323.440 4.073 0 40 DIAB Cc1noc(C)c1CSc1ncnc2sc(C)c(C)c12 87841 CQTOMTCOYNJBQP-UHFFFAOYSA-N 305.428 4.205 0 40 DIAB CC[C@H](C)N1C(=O)N(c2cccc(Cl)c2)[C@@](C)(O)CC1(C)C 501213 MUVVNQHRUQTFFH-SJCJKPOMSA-N 324.852 4.258 0 40 DIAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 580923 ZGSLLDVFKIWMKH-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 1681449 UWNZILMYVMCEMY-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 3557703 DVNKPSABLPPFHP-LBPRGKRZSA-N 303.789 4.308 0 40 DIAB COc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1 4137760 XWCNIMAFVFVVCY-UHFFFAOYSA-N 324.365 4.099 0 40 DIAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H](C)C1 4897846 VUEZNONIYWVUJQ-SJORKVTESA-N 322.452 4.413 0 40 DIAB O=C(CCc1ccsc1)N[C@H]1CCSc2ccccc21 8395217 COHXXWHSVZHQPI-AWEZNQCLSA-N 303.452 4.034 0 40 DIAB Cc1cc2nc(N3CCN(c4ccccc4)CC3)sc2cc1C 12230105 WEFPHIJUTPWNIL-UHFFFAOYSA-N 323.465 4.240 0 40 DIAB COc1ccc(C)cc1NC(=O)c1csc2c1CCCC2 12607732 YESYTUQAQDJFCX-UHFFFAOYSA-N 301.411 4.196 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3O)ccc2c1 13002764 SJOBQNRZDDOYCA-ZDUSSCGKSA-N 321.376 4.296 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1ccc(F)cc1C 13937319 YIYJCSOYUZFOEV-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)c(C)s1 14119331 XLFUBQXBMSDLSA-NSHDSACASA-N 321.467 4.267 0 40 DIAB CN(CC(=O)Nc1ccc(F)cc1)Cc1cccc2ccccc12 16634147 GZXXZDKCSLGLBC-UHFFFAOYSA-N 322.383 4.049 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(F)cc2)cc1 19931825 JWCQMRJDXSAIPV-SFHVURJKSA-N 315.388 4.352 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccnc1 20456628 VVJOYARGBUWSRR-KRWDZBQOSA-N 306.365 4.031 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 33621267 YOJABMSUQZRPTE-OWBHPGMISA-N 301.345 4.420 0 40 DIAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H]1c1ccccc1 45315520 XZZCXZDLIDNZGU-FQEVSTJZSA-N 318.420 4.383 0 40 DIAB Cc1nc2ccccc2nc1CSc1ncccc1Cl 46722783 DFZBRXMOQTVMKM-UHFFFAOYSA-N 301.802 4.279 0 40 DIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccc2ncccc2c1 49549714 QLJZNOCLSPGKJX-AWEZNQCLSA-N 320.396 4.310 0 40 DIAB Cc1ccc([C@H](C)NC(=O)COc2cccc(C)c2C)c(C)c1 59351585 PVQQXUVCDDZZEC-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCOC[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 96448447 CEIJCNVKYQTAJE-ZIAGYGMSSA-N 322.474 4.001 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 113960089 KCSQGEQERYZAIV-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CC(C)(C)c1ccc(/C=C/C(=O)NCCOc2ccccc2)cc1 223383595 JDUVVZUZCYNKCO-SDNWHVSQSA-N 323.436 4.193 0 40 DIAB CC[C@@H](CNC(=S)Nc1cccc(F)c1)Cc1ccccc1 225631130 MKHUAPNOSPOJAI-CQSZACIVSA-N 316.445 4.381 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1 225670782 UJEOLKKXQDICMS-IBGZPJMESA-N 319.445 4.399 0 40 DIAB CC(C)Cn1c(Cc2ccccc2)nnc1Sc1ccccn1 409099162 QSMKJISNJSSSLP-UHFFFAOYSA-N 324.453 4.071 0 40 DIAB Brc1ccc(/C=C/CCSc2cnccn2)cc1 530588883 SDBZHGOHZQOMLM-HNQUOIGGSA-N 321.243 4.435 0 40 DIAB Cc1cc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)ccn1 579191028 IQYRYJXGZUHECE-UHFFFAOYSA-N 320.396 4.097 0 40 DIAB CCc1cc2ccc(C)cc2nc1SCC(=O)N(CC)CC 413583 YOSWTKGQEGUGKH-UHFFFAOYSA-N 316.470 4.066 0 40 DIAB CC(C)(C)C(=O)COC(=O)c1ccccc1Oc1ccccc1 3343468 NKUUBWKQZWXZPT-UHFFFAOYSA-N 312.365 4.251 0 40 DIAB CCOc1ccc(OCCC(=O)Nc2ccc(C)cc2C)cc1 3549362 ZEJGHIYADHFYLK-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Fc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1 4625447 KFOFAVIMBQCXOF-UHFFFAOYSA-N 318.355 4.148 0 40 DIAB Cc1ccc(C(=O)CSc2cnc3ccccc3n2)cc1C 4980009 QHLCOFDQBKQDCU-UHFFFAOYSA-N 308.406 4.222 0 40 DIAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCC1 5422675 IHMWSMIUSQJHHZ-UHFFFAOYSA-N 322.795 4.401 0 40 DIAB CCOP(=O)(OCC)[C@@](C)(O)c1ccc2ccccc2c1 5953344 VZBSSTIETUNCFF-MRXNPFEDSA-N 308.314 4.271 0 40 DIAB Cc1nc(C(=O)Nc2ccc(F)cc2)cc2c1[nH]c1ccccc12 6796387 YGZMXFTVNSPKHJ-UHFFFAOYSA-N 319.339 4.416 0 40 DIAB Cc1nc2ccc(Cl)cc2c(O)c1CN1CCC[C@H](C)C1 8700897 WIYFKEZSQPKYHG-NSHDSACASA-N 304.821 4.134 0 40 DIAB O=C(Nc1nonc1-c1ccccc1)c1cccc2ccccc12 8869483 HUZWLMYGWFIHSD-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 12674825 YPENNPBZNWFSLJ-BEFAXECRSA-N 308.425 4.063 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 13932678 JNQFMPWCQASYPV-CQSZACIVSA-N 314.454 4.360 0 40 DIAB NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 16806732 TVKRXZWUQPVJLI-CQSZACIVSA-N 315.214 4.021 0 40 DIAB Cc1cccc2c1Oc1nc(-c3ccccc3O)nc(S)c1C2 20380567 ZYJUIKZUMQHXRG-UHFFFAOYSA-N 322.389 4.143 0 40 DIAB CCCCN(C(=O)c1cc(C)nc2onc(C)c12)c1ccccc1 22009463 WSFFMKMDPVJYJT-UHFFFAOYSA-N 323.396 4.287 0 40 DIAB CCc1ccc(C(=O)Nc2ccc(Br)cc2)s1 29484865 QMRKYFABYKQPNQ-UHFFFAOYSA-N 310.216 4.325 0 40 DIAB Cc1ccc(Br)cc1NCc1cnn(C(C)(C)C)c1 37305718 BWAOTTBDCSFRLI-UHFFFAOYSA-N 322.250 4.321 0 40 DIAB CCCc1ccc([C@@H](O)c2cccc(Br)c2)cc1 40255788 IRSJFBWTJKEUNX-MRXNPFEDSA-N 305.215 4.483 0 40 DIAB C[C@@H](NC(=O)N(C)Cc1ccco1)C12CC3CC(CC(C3)C1)C2 43000129 WNXITOHRKVAAIJ-PGBRGIIUSA-N 316.445 4.026 0 40 DIAB O=C(O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923343 ZWTOTTDLSSSXTM-UHFFFAOYSA-N 321.760 4.383 0 40 DIAB Cc1cccc(CNC(=O)N[C@H](C)c2cc(C)sc2C)c1 48309886 CIPLXILJLVFCIF-CYBMUJFWSA-N 302.443 4.234 0 40 DIAB CC(C)(C)[C@H](NCC(=O)N1CCCCCCC1)c1ccccc1 64938801 YSGQFGKEAWYDDJ-LJQANCHMSA-N 316.489 4.156 0 40 DIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(OC)c1 71844199 ZRJJKRIJMJWIIN-VQTJNVASSA-N 323.436 4.494 0 40 DIAB COc1ccc2c(c1)C[C@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302318 IDFSOCUPRSHPDU-BQTMGCTQSA-N 300.442 4.158 0 40 DIAB in-vitro CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 84656157 QWDFBTCKPFIVOJ-KEYYUXOJSA-N 302.418 4.190 0 40 DIAB COc1cc(C=O)c(Cl)cc1OCc1cccc(Cl)c1 95094973 ADDMSRWZEJUQFO-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(C)cc1 95094979 TZERIEFCRFEHOF-UHFFFAOYSA-N 304.773 4.439 0 40 DIAB COCc1c(Cl)cccc1NCc1ccc(NC(C)=O)cc1 95429386 XAOLOCJECKPREB-UHFFFAOYSA-N 318.804 4.057 0 40 DIAB CCc1ncsc1C(=O)Nc1cc(C(C)C)c(O)cc1C 95432655 AJASCROGULAXDP-UHFFFAOYSA-N 304.415 4.095 0 40 DIAB CCSCC[C@@H](C)NC1CCC(C(=O)OC(C)(C)C)CC1 95454568 TYQGXPBCMGZWOE-WLYUNCDWSA-N 315.523 4.008 0 40 DIAB Cc1cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)c(C)o1 97084913 GDBWKNWSNWVZIL-FQEVSTJZSA-N 311.834 4.040 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999047 ZNPZZRYCWATNQP-JRKPZEMJSA-N 315.269 4.468 0 40 DIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1SC 113969619 MLSIWOQZQZFCQM-OAHLLOKOSA-N 301.411 4.205 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(C)cc1 113970420 CLXSODYRMIYMQN-GOSISDBHSA-N 311.425 4.086 0 40 DIAB Cc1cc(N)c(NC(=O)C(C)(C)C)cc1N1C[C@H](C)C[C@@H](C)C1 216865289 NGCUYMKHNHTWJO-CHWSQXEVSA-N 317.477 4.044 0 40 DIAB Cc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)c(C)c1 218736466 GQIBHFXRQYSPSF-UHFFFAOYSA-N 321.376 4.098 0 40 DIAB CCOC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225467706 YQJMICJJGNADKN-UHFFFAOYSA-N 306.365 4.342 0 40 DIAB O=C(Cc1ccc(Cl)cc1F)N[C@H]1CCCc2ccccc21 225540805 JYCUJRYXMAUKMD-KRWDZBQOSA-N 317.791 4.215 0 40 DIAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(C)cc1N 226347505 UURSTXDUOLWVSU-UHFFFAOYSA-N 320.392 4.300 0 40 DIAB C=Cc1ccc(Oc2ccc(I)cn2)cc1 685937634 MOMMGFBJMQFTKO-UHFFFAOYSA-N 323.133 4.122 0 40 DIAB COc1ccc2sc(N3CCC(C(F)(F)F)CC3)nc2c1 1888854136 YQCAXIXMFYYQLL-UHFFFAOYSA-N 316.348 4.084 0 40 DIAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)CC(C)C 413809 WRGQRWLKPCQNQD-UHFFFAOYSA-N 316.426 4.293 0 40 DIAB CC(C)(C)N1C(=O)CC(=O)C[C@H]1c1ccc(Cl)cc1Cl 1387210 XJTJCAOHEOEUQZ-ZDUSSCGKSA-N 314.212 4.025 0 40 DIAB O=C(O)C1(Oc2ccccc2)c2ccccc2-c2ccccc21 1676411 UEYCHTKWKLZHAL-UHFFFAOYSA-N 302.329 4.074 0 40 DIAB O=C(O)C1=C(C=C(c2ccccc2)c2ccccc2)OCCC1 2022795 QTSNFJKZUBJEOH-UHFFFAOYSA-N 306.361 4.267 0 40 DIAB Cc1csc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 3386520 BJHXSUFEIRNGIZ-UHFFFAOYSA-N 323.830 4.447 0 40 DIAB N[C@H]1Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2S1 4944087 INSSOXOZBWQOKI-SFHVURJKSA-N 318.405 4.143 0 40 DIAB COc1cc2c(cc1[C@@H](C)c1ccc(OC(C)C)cc1)OCO2 5732948 RZJUEXAWESORLE-ZDUSSCGKSA-N 314.381 4.363 0 40 DIAB COc1cc(C)c(NC(=O)c2c(F)cccc2Cl)cc1OC 6259111 WXZPKVFDRGMZIU-UHFFFAOYSA-N 323.751 4.057 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C 6356066 ZOHVSEXZWRMRLF-FJIDUMEYSA-N 319.489 4.203 0 40 DIAB C[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1Cl 6566375 XGHOGRQGQKPKTK-ZWNOBZJWSA-N 315.244 4.100 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccc(C)c(F)c1 7351444 UYJQPQDJLKHPSQ-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB Cc1noc(C)c1CN(C(=O)c1ccccc1)c1ccccc1 8751167 GZTJKIPJBHCYME-UHFFFAOYSA-N 306.365 4.138 0 40 DIAB Cc1cccc(CCCNC(=O)[C@H](C)Sc2ccccc2)c1 10110625 QORFMTPLIBNOLT-INIZCTEOSA-N 313.466 4.225 0 40 DIAB Cc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12554571 ISLPIGYRROVKGV-NSHDSACASA-N 313.426 4.083 0 40 DIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 12605814 SGEQASDUFSCGGD-ZDUSSCGKSA-N 319.426 4.010 0 40 DIAB Cc1ccc(CCC(=O)Nc2ccc(O)c3ccccc23)cc1 12770330 POUKDJVZRBWROT-UHFFFAOYSA-N 305.377 4.425 0 40 DIAB CCONC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 13006188 SIKYMDIJCAVZNV-UHFFFAOYSA-N 309.287 4.054 0 40 DIAB CC(C)C(NC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(C)C 13708319 QRZJBBITZWHPNK-HNNXBMFYSA-N 313.441 4.404 0 40 DIAB COC[C@@H](C)NC(=O)N1c2ccccc2Sc2ccccc21 13717271 ZDFQXCBAZSJIIA-GFCCVEGCSA-N 314.410 4.034 0 40 DIAB Cc1cc(C(=O)Nc2cccc3ccccc23)c2c(C)noc2n1 14179921 YFQMCNPICGDOLH-UHFFFAOYSA-N 317.348 4.245 0 40 DIAB COc1c(C)cccc1C(=O)Nc1ccc(Br)cc1 14258236 AKIPLALQDYZAEQ-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2ccccc12 14423504 KEITUUWNXUYECM-UHFFFAOYSA-N 316.404 4.445 0 40 DIAB O=C(c1cccc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 16047128 GKIKDDLWVZLADF-CYBMUJFWSA-N 307.315 4.254 0 40 DIAB COc1ccccc1NC(=O)Nc1ccc(Br)cc1 18176730 ILHQMGVRJQQOSY-UHFFFAOYSA-N 321.174 4.102 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 20455613 ZFKRRDMZTDFXEI-SJORKVTESA-N 311.425 4.257 0 40 DIAB O=C(O)C/C(=C/c1cccc(Cl)c1)c1nc2ccccc2o1 22024961 IUPYUPUPINKMIM-WQLSENKSSA-N 313.740 4.497 0 40 DIAB CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(C)cc1 26204190 WDNGONHHLSCGDG-HNNXBMFYSA-N 319.351 4.478 0 40 DIAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 26502182 LKVVIXHCCMWDNO-AWEZNQCLSA-N 317.429 4.245 0 40 DIAB CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC 31618299 VUVLMKGCBJPVSJ-HNNXBMFYSA-N 303.789 4.230 0 40 DIAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3F)c12 36365882 MUBHUIRSWMOIFR-UHFFFAOYSA-N 313.332 4.046 0 40 DIAB O=C1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21 38488459 HYLSSPXPANJRGD-AWEZNQCLSA-N 319.282 4.014 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)c1cnc2ccccc2c1 45028937 YGDMEBROFGDKIC-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB C[C@H]1CCCCN1C(=O)COc1ccc(-c2ccccc2)cc1 59843214 INZKTXAFXRRCML-INIZCTEOSA-N 309.409 4.133 0 40 DIAB O=C(CCC1CC1)N1CCc2sccc2[C@H]1c1cccs1 89799984 SYBJPIPILVMGNH-KRWDZBQOSA-N 317.479 4.474 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 102026809 KPJXVODWPNPRQB-PEBLQZBPSA-N 315.463 4.089 0 40 DIAB CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C[C@H](O)C[C@H]4[C@@H]3CC[C@@H]2C1 118926300 GTOPOWFQBKMBIX-OMDJLQRUSA-N 306.490 4.405 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1 222810907 FXGCULXIKMZJFM-MRXNPFEDSA-N 311.425 4.375 0 40 DIAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1C 222960723 HGEUUBMNUYHLLA-UHFFFAOYSA-N 305.377 4.087 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@H](C)C1 225633660 MPXSFKCAJYAVAM-HNAYVOBHSA-N 319.445 4.255 0 40 DIAB CCOc1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225850325 SDCQDLVLGXMNGE-UHFFFAOYSA-N 307.752 4.059 0 40 DIAB CCCCOc1cccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 226273365 AMOVLUNEEDDOMK-CQSZACIVSA-N 313.397 4.171 0 40 DIAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc2ccccc2c1 55415 YNNFUIDKJRMNMU-LDADJPATSA-N 317.319 4.323 0 40 DIAB Clc1ccc2nc(CSc3nc4ccccc4[nH]3)cn2c1 83749 HRGBNBXWCILYTO-UHFFFAOYSA-N 314.801 4.156 0 40 DIAB COc1cccc2c(Nc3cccc(C(C)=O)c3)cc(C)nc12 107234 GXZKDQYUQVLNRC-UHFFFAOYSA-N 306.365 4.498 0 40 DIAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(F)c(F)c1 2517879 RFAVYQVFLWISJY-UHFFFAOYSA-N 300.226 4.198 0 40 DIAB Cc1ccccc1Nc1nnc(SC[C@H]2CCCCO2)s1 2637004 WWZSUUWEGNXGHP-GFCCVEGCSA-N 321.471 4.251 0 40 DIAB C[C@H]1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1 2637595 UDFYBFLQRIRSLV-INIZCTEOSA-N 324.424 4.068 0 40 DIAB Cc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1C 2714016 WQMFDYWVQCAHQH-UHFFFAOYSA-N 318.348 4.444 0 40 DIAB CSCc1cc(N(C)c2ccccc2)nc(-c2ccccn2)n1 3105270 HMDIJVAOPRALJU-UHFFFAOYSA-N 322.437 4.170 0 40 DIAB CSCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 3341556 POVUWHWZCDZAJN-UHFFFAOYSA-N 305.830 4.133 0 40 DIAB O=c1oc2ccccc2n1CCCOc1ccc2ccccc2c1 4569003 CATHWACZRMCQFE-UHFFFAOYSA-N 319.360 4.217 0 40 DIAB c1ccc(CNC2=NN=C(c3cc4ccccc4o3)CS2)cc1 6865379 RYKOELNZPCJEDN-UHFFFAOYSA-N 321.405 4.030 0 40 DIAB aggregator CCNC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 6939549 QUAXQGYCHPJFDE-KRWDZBQOSA-N 319.857 4.299 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccnc1 8708296 ZQCRBKJYUVAUMS-MRXNPFEDSA-N 316.404 4.169 0 40 DIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(F)cc1 9141609 OQBGZTVDAVEUGJ-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c1C 10892802 DUKCDBRPGUHSHJ-MFKMUULPSA-N 317.458 4.233 0 40 DIAB Cc1ccc(C)c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12778867 HISYAYUGKIRWSB-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB Cc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12795399 KYKGECGEPNQIDB-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB Cc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)n1 12850063 UPCWNKHHLJHHGW-UHFFFAOYSA-N 316.451 4.121 0 40 DIAB Cc1ccccc1[C@H](Sc1nnc(N)s1)c1ccccc1 13008132 VMHPRNDTXIUKQH-CQSZACIVSA-N 313.451 4.310 0 40 DIAB c1ccc2oc(SCc3nc(-c4ccsc4)no3)nc2c1 15651927 TUYJCWJPYYNVIL-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB COc1ccc2[nH]c(COc3ccc(Cl)c(C)c3)nc2c1 16902410 KXSKBOZFTXSQFO-UHFFFAOYSA-N 302.761 4.112 0 40 DIAB Cc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c(Cl)c1 20357112 NQGCURUWHOZCBN-VIFPVBQESA-N 304.777 4.014 0 40 DIAB Cc1cccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 32609937 LMWKPPOSTXDUFN-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB Nc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1 35696905 LGASSBQPFSIXGY-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccccc1C(F)(F)F 36748233 MFSJUFSYVADZBZ-NMQNIBJMSA-N 323.358 4.260 0 40 DIAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccnc(Cl)c1 48332588 FMNOOAHBNBOCKD-LBPRGKRZSA-N 318.804 4.013 0 40 DIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cscn1 50310746 SPUHFEVLIWRRBW-GUOLPTJISA-N 312.394 4.122 0 40 DIAB CC(C)c1ccc2nc(CO[C@@H]3CCCC[C@@H]3C)[nH]c(=O)c2c1 57771816 XTZCLJRKOHCWAS-SUMWQHHRSA-N 314.429 4.142 0 40 DIAB Cc1nc(Nc2ccc(C(C)C)cc2)sc1CCC(=O)O 58004279 QXKNUFLVHIHLPI-UHFFFAOYSA-N 304.415 4.336 0 40 DIAB CC(C)[C@H](C)S(=O)(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 78909047 GHHCFQOMVAIPOD-WDEREUQCSA-N 308.365 4.226 0 40 DIAB Cc1c(C[S@@](C)=O)cccc1NCc1cccc2cccnc12 96482900 XGMDGXXRYBVIRS-QHCPKHFHSA-N 324.449 4.034 0 40 DIAB O=C(C[C@H]1CCCN1Cc1ccc(Cl)o1)c1ccc(F)cc1 97230577 DKMJEPDVHDWHSH-CQSZACIVSA-N 321.779 4.310 0 40 DIAB COc1cc(Nc2ncnc3ccsc23)c(OC)cc1Cl 139587032 PPWSYXRVYARWHS-UHFFFAOYSA-N 321.789 4.106 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3)N21 222639922 FYDNJSLXEFDSOT-DJIMGWMZSA-N 309.438 4.061 0 40 DIAB CNCCCNc1cc(C)nc2ccc(Oc3ccccc3)cc12 222690983 UTCXQNIVMHZZFH-UHFFFAOYSA-N 321.424 4.357 0 40 DIAB Cc1cccc(OCCNC(=O)Nc2ccc(Cl)cc2)c1C 223961335 FJEVILPZUIGCQI-UHFFFAOYSA-N 318.804 4.157 0 40 DIAB Cc1ccc(OCCNC(=O)c2ccc(C)cc2Cl)c(C)c1 225004616 FQRNJOIATXBLCI-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB Cc1ccc(C[C@H](Sc2ccccc2)C(=O)O)cc1Cl 225080926 LIHPTTYLHHTEGP-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB Cc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)n1 225762506 LFTOECLJAMBSSC-KRWDZBQOSA-N 313.470 4.382 0 40 DIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)c1ccccc1 225789392 PPPSBEMZHAELIC-HXUWFJFHSA-N 323.436 4.386 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(N)c1 226347842 GYFOAAAQYNWEET-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB OCc1sc2c(Br)cccc2c1C(F)(F)F 396270754 WELUIYARQHCNDT-UHFFFAOYSA-N 311.122 4.175 0 40 DIAB COc1ccc(-c2c(C)c3ccc(C)cc3oc2=O)cc1OC 57803 QLFHSSBCQHAJPZ-UHFFFAOYSA-N 310.349 4.094 0 40 DIAB biogenic Cn1c(=O)c(Sc2ccccc2)c(Cl)c2ccccc21 344124 FGEHDYSWVUEJAP-UHFFFAOYSA-N 301.798 4.343 0 40 DIAB CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C 2495714 MRZPUHWOCOJGFJ-KRWDZBQOSA-N 302.462 4.205 0 40 DIAB Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1 2928345 MFZSULJTWNSMCV-UHFFFAOYSA-N 304.393 4.275 0 40 DIAB aggregator COc1cccc2sc(NC(=O)c3ccccc3Cl)nc12 3174177 ZDMAFZQIVGBHGQ-UHFFFAOYSA-N 318.785 4.211 0 40 DIAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 3329798 JNFNPXRFLKOCOO-UHFFFAOYSA-N 321.417 4.232 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 3608686 ZEVJCPJDBLWQTC-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2 3885079 RLRNPHISVAQKAJ-ACCUITESSA-N 317.344 4.125 0 40 DIAB C[C@@H](S[C@H](CC(=O)c1ccccc1)c1ccccc1)C(=O)O 4321789 FTUNWZNRNFJXGG-CXAGYDPISA-N 314.406 4.207 0 40 DIAB CC(C(=O)N1CCCCCC1)(c1ccccc1)c1ccccc1 4559704 XXFFWSFSGZOFKX-UHFFFAOYSA-N 307.437 4.395 0 40 DIAB CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C(C)(C)C)CN(C)[C@@H]1C 4594138 HXMYADUYVHAIOZ-WRWLIDTKSA-N 317.473 4.221 0 40 DIAB CCSc1ccccc1C(=O)Nc1nnc(C(C)C)s1 4696330 VXZFOKIYFRRRNY-UHFFFAOYSA-N 307.444 4.026 0 40 DIAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)O 4976768 LJFJPDHXAWVDSA-HEHGZKQESA-N 304.386 4.002 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]2CC[C@@H]1C2 5678117 XKSFFQZQYJKWPV-IQJOONFLSA-N 306.818 4.324 0 40 DIAB Cc1ccc(CN(C)C(=O)COc2cccc3ccccc23)cc1 6053097 AFIUPVJPPZHOBZ-UHFFFAOYSA-N 319.404 4.186 0 40 DIAB O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1nc2ccccc2s1 6509040 JQSVSYLMHKOXFL-BOLDSZDNSA-N 324.405 4.266 0 40 DIAB Cc1cccc(C(=O)Nc2cccc(Br)c2)c1C 6560573 MGQICUBFQRTAAB-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7997627 JBASOEXKJWIREP-UHFFFAOYSA-N 311.312 4.347 0 40 DIAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)C 9141150 GGFUYIHQJOWXBZ-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccnn1C1CCCCC1 9602454 QFTWZGDATQRJGR-UKRRQHHQSA-N 320.506 4.253 0 40 DIAB CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(C)cc1 14602487 GXSFPXLCPPOOES-KRWDZBQOSA-N 301.817 4.458 0 40 DIAB COc1c(C(=O)C[C@H](OC)c2ccccc2)ccc2occc12 14618818 AADNEQWIZKTMBL-SFHVURJKSA-N 310.349 4.402 0 40 DIAB biogenic,in-vitro Cc1ccc(OCCSc2nc3ccccc3n2C)c(C)c1 15833419 PLVPFEHZFWACGL-UHFFFAOYSA-N 312.438 4.361 0 40 DIAB CCOc1cc(C=O)ccc1OC(=O)c1oc2ccccc2c1C 16752883 KGXWBELHSAUTGJ-UHFFFAOYSA-N 324.332 4.172 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\C=C/c1ccccc1 17023221 CQLPNSSOUAVJOB-WHFHIJMSSA-N 301.345 4.252 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 20457390 QRZLFCVWRIYVPG-GOSISDBHSA-N 313.397 4.054 0 40 DIAB CCCc1ccccc1NC(=O)c1ccc(-c2nc(C)no2)cc1 24504643 TZNQPXKHTJNHCH-UHFFFAOYSA-N 321.380 4.250 0 40 DIAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 26502179 LKVVIXHCCMWDNO-CQSZACIVSA-N 317.429 4.245 0 40 DIAB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1 30755047 YETHRKAZYWUIEI-IBGZPJMESA-N 311.425 4.422 0 40 DIAB O=C(O)CS/C(=C/c1ccco1)c1nc2ccccc2s1 33573521 CCDXXSIRYJZFTM-MDWZMJQESA-N 317.391 4.205 0 40 DIAB COC(=O)c1c(/C=C/c2c[nH]c3ccccc23)cccc1OC 35973576 VSSMMQMINJYYQD-ZHACJKMWSA-N 307.349 4.134 0 40 DIAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccco1 40548943 DQDWZDGVPOBIDL-UHFFFAOYSA-N 314.566 4.256 0 40 DIAB O=C(Cc1cccc(-c2nc3ccccc3o2)c1)N1CCCCC1 41127615 SYLMCJZAAFWSRG-UHFFFAOYSA-N 320.392 4.050 0 40 DIAB Cc1csc(-c2cccc(C(=O)N3CCc4ccccc43)c2)n1 41334953 OBCLLAAFGGEHJS-UHFFFAOYSA-N 320.417 4.321 0 40 DIAB c1ccc([C@H]2CN(CCc3ccccn3)Cc3ccccc32)cc1 43661356 MMDZMZHNXDFCIH-JOCHJYFZSA-N 314.432 4.272 0 40 DIAB O=C(Cc1cccc(Cl)c1)Nc1cccc(Br)c1 52944749 KMVQHDXVXODIEU-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB Cc1ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 54669999 KPDOALIYWITQTG-IBGZPJMESA-N 319.404 4.439 0 40 DIAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 55902017 CWLQZDSSQRSBBK-UHFFFAOYSA-N 323.179 4.204 0 40 DIAB COc1ccc2cc(CNCc3ccc(Cl)o3)ccc2c1 60841970 SXZKXJIKNCYBCA-UHFFFAOYSA-N 301.773 4.385 0 40 DIAB CCCCOc1ccc(C2=NC3(CCCC3)N=C2S)cc1 67172382 LCERDFOAXWFVAK-UHFFFAOYSA-N 302.443 4.267 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1NC1CC1 72213746 RDPCFKKATKVQLW-OAHLLOKOSA-N 317.433 4.118 0 40 DIAB C[C@@H](NCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 72670455 HJQCMCQQKRNPOI-CQSZACIVSA-N 311.816 4.377 0 40 DIAB Cc1cc(F)ccc1C(=O)c1ccc(Br)cc1C 95917003 UKZWCPVOAJTTIN-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB COc1ccccc1[C@@H](NC1CCSCC1)c1ccccc1 95953678 ZDKORRXGMUSUOW-IBGZPJMESA-N 313.466 4.270 0 40 DIAB O=C(c1ccc2ccccc2n1)N1CCC(c2ccsc2)CC1 96120607 XJHCKIWCSOVZEL-UHFFFAOYSA-N 322.433 4.316 0 40 DIAB CCCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21 101667678 FZZPPNDZDASHOG-UHFFFAOYSA-N 321.420 4.488 0 40 DIAB C[C@H](NC(=O)c1cccc(-n2cccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 107326994 UGLVUBDQRNMGLP-IUVQAAGXSA-N 308.425 4.032 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2ccccc2c1 222781234 NXNUQAUAFQPADC-AWEZNQCLSA-N 323.367 4.063 0 40 DIAB Cc1ccc2sc(N3CC[C@@H](c4ccccn4)C3)nc2c1C 1458336518 GJOHSDRFYBARPO-CQSZACIVSA-N 309.438 4.302 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 364904 ZWNPGCIMJGWHDG-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Cc1nc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2s1 780565 XPEQBTRLWGLTCH-NSHDSACASA-N 308.406 4.196 0 40 DIAB Cc1cc(-c2noc(CCc3ccccc3)n2)c2ccccc2n1 1426815 YSOAHODQZHNIMR-UHFFFAOYSA-N 315.376 4.378 0 40 DIAB CCOP(=O)(OCC)/C(=C/c1cccs1)CC(C)=O 1651124 RQQLCFCIIBYIMJ-ZRDIBKRKSA-N 302.332 4.334 0 40 DIAB COc1ccc(NC(=O)c2ccc(N(C)C)cc2)c2ccccc12 3202771 RVEDQZQTEJCTNP-UHFFFAOYSA-N 320.392 4.167 0 40 DIAB Cc1nc(CSc2nnc3sc4ccccc4n23)cs1 3495703 VVVCKUAEDMOLMC-UHFFFAOYSA-N 318.452 4.001 0 40 DIAB COc1ccccc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 3592176 PMPIZRNFSFGLLB-CSKARUKUSA-N 324.405 4.265 0 40 DIAB CCCCC[C@@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCC(=O)O 4404040 LAIUZQCFIABNDP-LUKYLMHMSA-N 312.450 4.307 0 40 DIAB in-vitro Cc1ccccc1/C=C/c1nn2c(-c3ccoc3C)nnc2s1 5032087 AWZHFSAFRKJHBI-BQYQJAHWSA-N 322.393 4.233 0 40 DIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)c1ccc(F)c(F)c1 5033995 ZDORSIXJJRYBGC-SECBINFHSA-N 319.332 4.470 0 40 DIAB Fc1cccc(Cl)c1COc1ccc(-c2nnco2)cc1 5429289 WXNRLZIHMBIZJG-UHFFFAOYSA-N 304.708 4.108 0 40 DIAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1C 6317114 QRDLCGBWOXAAEM-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB O=C(CCSc1ccccc1)NCc1ccccc1Cl 8034550 NSKJYTYCNQRAKZ-UHFFFAOYSA-N 305.830 4.139 0 40 DIAB Cc1nc(SCC(=O)Nc2cccc3ccccc23)oc1C 8334262 VVOSIVSLHUQAJM-UHFFFAOYSA-N 312.394 4.175 0 40 DIAB CC(C)Nc1ncc(-c2ccsc2)c(-c2nccs2)n1 12220250 DLHIEIMARGNSSA-UHFFFAOYSA-N 302.428 4.149 0 40 DIAB Cc1cc(C)c2c3c(sc2n1)-c1nc2ccccc2n1CN3 12324027 LYGRKCFBCJEEJO-UHFFFAOYSA-N 306.394 4.313 0 40 DIAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3C)cc2c1 12493166 NDCLWMGPXXWYJJ-UHFFFAOYSA-N 322.408 4.156 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1 12855092 CPHJZLXIIXXXGN-INIZCTEOSA-N 303.764 4.360 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C(F)(F)F)c1 12988591 QMZWWGDNJBVARN-BXUZGUMPSA-N 314.351 4.083 0 40 DIAB CSc1ccc(CN(Cc2sccc2C)C[C@H](C)O)cc1 13991536 SBHVDRLJWPVXSY-AWEZNQCLSA-N 321.511 4.161 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2cc(F)ccc2F)on1 19120221 LKTNTEDFGNGMEE-INIZCTEOSA-N 306.356 4.379 0 40 DIAB c1ccc2c(CN3CCN([C@H]4C[C@H]5CC[C@@H]4C5)CC3)cccc2c1 19853856 PJPDUEXDCPPVHM-KPLVRAHFSA-N 320.480 4.146 0 40 DIAB Cc1ccc(NC(=O)CCCc2nc3ccccc3o2)cc1C 31809266 HBAORWHGXWHMRV-UHFFFAOYSA-N 308.381 4.406 0 40 DIAB Cc1nc2sc(-c3nc(CC(C)C)no3)c(N)c2c(C)c1C 32931808 LLKJELYWYXIJPH-UHFFFAOYSA-N 316.430 4.052 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 44901007 NZGUZZUUQKQZCY-HNNXBMFYSA-N 323.502 4.027 0 40 DIAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccco1 48365626 DBXFILJHTOCXID-SNVBAGLBSA-N 316.744 4.079 0 40 DIAB O=C(O)CCC/C(=C/c1cccnc1)c1nc2ccccc2s1 58382275 ZZXAJWKJEWIGQC-KAMYIIQDSA-N 324.405 4.487 0 40 DIAB C[C@@H](Nc1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72207667 BAPREOKBLLXDJF-ZBFHGGJFSA-N 304.434 4.277 0 40 DIAB CCSc1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72217119 IMAXYVCPQSHFMO-CYBMUJFWSA-N 308.447 4.266 0 40 DIAB CCC[C@H]1CCCN(C(=O)c2csc(CC(C)C)n2)CC1 84740764 VYDSMNUKBRGBHE-AWEZNQCLSA-N 308.491 4.384 0 40 DIAB Cc1nn(-c2ccc(-c3ccccc3)cc2)c(C)c1CCC(=O)O 85398122 AONXINXEDGKDHU-UHFFFAOYSA-N 320.392 4.173 0 40 DIAB CCc1noc(CC)c1CN[C@H](C)c1cnc2ccsc2c1 95969162 ZLEUUIREYPEPKD-LLVKDONJSA-N 315.442 4.260 0 40 DIAB CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 100068353 GIJXKZJWITVLHI-ACDBMABISA-N 307.437 4.418 0 40 DIAB in-vitro CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(F)c1 113955098 LLGTXPSWWLCSGH-HNNXBMFYSA-N 305.324 4.069 0 40 DIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccs3)N21 222651791 PRPDJPOXPWNFQZ-TUKIKUTGSA-N 315.467 4.123 0 40 DIAB CC(C)CO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225111420 PWKXAVCTICDMEK-GOSISDBHSA-N 314.381 4.147 0 40 DIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C)c1 225700217 PHRBVIOKKLPFFD-GOSISDBHSA-N 307.434 4.318 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)c(C)n1 225895151 TXKHTEZGBZYESD-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OC)c(C)c1 225908457 SNUMMDTVGOOGBD-SFHVURJKSA-N 322.449 4.103 0 40 DIAB C[C@H](O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 226273120 MWDWJWYLUKFIOF-VIFPVBQESA-N 310.180 4.299 0 40 DIAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4)nc3c2)C[C@@H](C)O1 226317328 LOLLZEXNUKHSSC-GASCZTMLSA-N 322.408 4.104 0 40 DIAB Cc1nc2ccc(OC(=S)N(C)c3ccccc3)cc2nc1C 408735198 LYGRUGMGPNTQRU-UHFFFAOYSA-N 323.421 4.047 0 40 DIAB O=C(CCC(F)(F)F)NCc1cc(-c2ccsc2)cs1 1888913583 PAIUTWMLNGSMSM-UHFFFAOYSA-N 319.373 4.435 0 40 DIAB CCOc1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1 54710 OMEFYKRUBWJCBO-VBKFSLOCSA-N 301.773 4.304 0 40 DIAB Cc1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1 113825 HIRIGLBMSCONKR-PTNGSMBKSA-N 316.198 4.370 0 40 DIAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 421851 LRBXHUYPZMILNJ-UHFFFAOYSA-N 324.405 4.328 0 40 DIAB Cc1ccsc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1184310 DVBVFBKSSXPKHP-UKTHLTGXSA-N 301.392 4.297 0 40 DIAB CCCN(CCC)CCCNc1cc(OC)cc2cccnc12 1656140 QUVANZXEPIYRSP-UHFFFAOYSA-N 315.461 4.167 0 40 DIAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccccc1 2694671 DMFKZFVRPZKCRT-UHFFFAOYSA-N 324.357 4.354 0 40 DIAB CC(=O)[C@H]1C[C@@H](CC(=O)Nc2cccc3ccccc23)C1(C)C 3102254 WXFDAEOCHFJGBI-DOTOQJQBSA-N 309.409 4.420 0 40 DIAB O=C(CSc1ccccc1Cl)N1CCc2ccccc21 3266297 MGEVTQZBYOODES-UHFFFAOYSA-N 303.814 4.021 0 40 DIAB COc1cc(C=CC2=[N+](C)c3ccccc3C2(C)C)ccc1O 4416708 BUUVCGWGBDEKHA-UHFFFAOYSA-O 308.401 4.120 0 40 DIAB CCn1cc(NC(=O)N2CCc3ccccc3C2)c2ccccc21 5265964 KFLBZGOUOYBKSJ-UHFFFAOYSA-N 319.408 4.251 0 40 DIAB COc1ccccc1NC(=S)N(Cc1ccccc1)C(C)C 5977062 HXBNZSMDLXHNKB-UHFFFAOYSA-N 314.454 4.303 0 40 DIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)cc1 6609419 KPVKTDFPJJYBBQ-ZDUSSCGKSA-N 324.405 4.409 0 40 DIAB CC1(C)C[C@@](CCNCc2cccnc2)(c2ccccc2)CCO1 6719094 KKKGDIUSZMZXSN-NRFANRHFSA-N 324.468 4.088 0 40 DIAB Cc1ccc2c(CC(=O)Nc3ccc(F)c(F)c3F)coc2c1 6790442 FOTSMAUGQOJHGV-UHFFFAOYSA-N 319.282 4.340 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1 6995079 GSSASKQPWKEGQR-SNVBAGLBSA-N 320.845 4.103 0 40 DIAB Cc1ccc(Oc2ccc(N[C@H](C)C(=O)N3CCCC3)cc2)cc1 7243380 WAJYFHANSZNCQG-MRXNPFEDSA-N 324.424 4.210 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 7935346 OCNZSLCPLAPDIE-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1OC 8206792 UOIAHVYOSLIYQF-UHFFFAOYSA-N 313.397 4.435 0 40 DIAB CCOc1cc(CNC)cc(Cl)c1OCc1ccc(F)cc1 8253982 VEJIAHYTMCNSKC-UHFFFAOYSA-N 323.795 4.176 0 40 DIAB CC[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 11738586 AHNJBKFZKMWBKC-OAHLLOKOSA-N 309.743 4.499 0 40 DIAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C)c(C)c2)cc1 11801699 OWNKKQAMTLMFJN-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)NC2CCCCCCC2)c1 13710825 RXQSQQJEEWTOIH-MRXNPFEDSA-N 303.446 4.300 0 40 DIAB CC[C@@H](C)NC(=O)NCCC(c1ccccc1)c1ccccc1 13745684 POBMGQQOWXHKHG-MRXNPFEDSA-N 310.441 4.306 0 40 DIAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 14091390 SPGKHGVGMWIKEH-UHFFFAOYSA-N 323.465 4.490 0 40 DIAB O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1ccco1 14188024 UTTMXGATKJODJM-UHFFFAOYSA-N 314.316 4.246 0 40 DIAB Cc1ccc(-c2csc3ncn(Cc4ccco4)c(=O)c23)cc1 15835406 RAEJOYVVYWWNNO-UHFFFAOYSA-N 322.389 4.075 0 40 DIAB Cc1ccc2c(CN3CCCc4ccccc43)cc(=O)oc2c1 16442528 QTHYADWBDAMUQQ-UHFFFAOYSA-N 305.377 4.054 0 40 DIAB CSc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1 20029733 MCOZWMAMEUCXRB-JTQLQIEISA-N 307.365 4.178 0 40 DIAB CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCc2ccccc21 29258289 QEJMCFTVXVFLKU-LJQANCHMSA-N 304.393 4.318 0 40 DIAB CC(C)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29482413 XGMFBRBOCBUIPX-FQEVSTJZSA-N 322.452 4.368 0 40 DIAB CCc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1 31082681 WIYQWXJCWCQVHD-UHFFFAOYSA-N 320.392 4.123 0 40 DIAB CCc1nc(NC(=O)c2oc3c(F)cccc3c2C)sc1C 40118990 DHYZLLFINWORIH-UHFFFAOYSA-N 318.373 4.460 0 40 DIAB CC(C)(C(=O)NCCCn1ccc2ccccc21)c1ccccc1 48354169 IPLKMNJNVXZAML-UHFFFAOYSA-N 320.436 4.125 0 40 DIAB Cc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccco2)o1 57977269 UJNWABGBSXITRW-CVTTXWKISA-N 307.349 4.100 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(SC)c2)cc1 58714629 ZHRWCLJOANTXKK-UHFFFAOYSA-N 304.440 4.226 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c(C)c1 59351604 LBOXBRFZQDRHEO-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Cc1ccccc1-c1cc2c(N3CCCCCC3)nccn2n1 67285430 FWAKBRKCNGNBHX-UHFFFAOYSA-N 306.413 4.085 0 40 DIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)n2c1 71459159 UMGSEIYSXBADNK-UHFFFAOYSA-N 313.788 4.165 0 40 DIAB CCOc1ccccc1NC(=S)Nc1cccc(F)c1C 71760527 BONLFVCWQOAOGT-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CC(C)c1csc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 72297296 WEMGKQSNWHQMJB-GJZGRUSLSA-N 318.486 4.329 0 40 DIAB C[C@H](C(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2o1 75093776 CDYYGBPLJLUKMZ-AWEZNQCLSA-N 320.392 4.123 0 40 DIAB Cn1c([C@H]2CCCN2c2nc3ccccc3o2)nc2ccccc21 75109636 IIHWMZMLELECCR-MRXNPFEDSA-N 318.380 4.056 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccccc1F 78700561 VMGOKKNXOFWIDP-MRXNPFEDSA-N 315.388 4.493 0 40 DIAB O[C@@H](c1cc2cc(Br)ccc2s1)C(F)(F)F 91356089 SSPRCJSMIZSHKZ-VIFPVBQESA-N 311.122 4.260 0 40 DIAB Cc1cccc(C(=O)OCc2nc3ccccc3o2)c1Cl 95974361 PWFXBEARFWVSMI-UHFFFAOYSA-N 301.729 4.147 0 40 DIAB O=C(NCc1ccccc1-c1ccsc1)c1cccc(F)c1 96122933 ADYLKTJJHJTUDO-UHFFFAOYSA-N 311.381 4.484 0 40 DIAB Cc1cccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 97013478 PEIPKNVWJJCLEY-LJQANCHMSA-N 305.425 4.219 0 40 DIAB CC(C)=CCC/C(C)=C\CC/C(C)=C(\O)CP(=O)(O)O 113210645 ACBOJOPFHNLMLX-UEJBEBQQSA-N 302.351 4.469 0 40 DIAB Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2ccccc2Cl)no1 193722263 RKKWUCKXVSWABJ-VIFPVBQESA-N 316.792 4.076 0 40 DIAB CCC1(NC(=S)Nc2cccc(OC(C)C)c2)CCCC1 225867753 GMDBJPWOAFHJHK-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB CC(C)c1ccc(OCC(=O)Nc2c(N)cccc2Cl)cc1 226359069 FJMSBGNWRFLBAX-UHFFFAOYSA-N 318.804 4.063 0 40 DIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1cccs1 575618628 AFTJCNQBWVECNY-NSHDSACASA-N 301.436 4.324 0 40 DIAB Cc1ccc(OCC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1776008079 XJEAPSYMWRLYFU-ROUUACIJSA-N 311.425 4.008 0 40 DIAB c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1 72438 MRHHDHLGNOOZIS-UHFFFAOYSA-N 318.424 4.232 0 40 DIAB CCc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)cc1 151426 KTKJWYUSOUYHGQ-UHFFFAOYSA-N 304.773 4.195 0 40 DIAB Cc1ccc(Cn2c(=S)[nH]c3cc(Cl)ccc3c2=O)cc1 425262 BXUBVGQHTUAIPI-UHFFFAOYSA-N 316.813 4.069 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cc(Cl)cc(Cl)c1N 1392093 SPWSUKSDKCJIBE-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB O=C(NC1(Sc2ccccc2)CC1)c1ccc(Cl)cc1 1590661 UEWHIRYNTYPWHJ-UHFFFAOYSA-N 303.814 4.352 0 40 DIAB CCC(=O)[C@H](C)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1 2074652 PGMKJVNNBZNCIM-HNAYVOBHSA-N 309.409 4.115 0 40 DIAB O=c1cc(-c2cc(O)cc(O)c2)oc2c(Cl)cc(Cl)cc12 2573867 VGPIMEPOKFKWOL-UHFFFAOYSA-N 323.131 4.178 0 40 DIAB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@]1(C)CC1(Cl)Cl 2872759 HJBOIBHMZAMTKV-XPTSAGLGSA-N 316.203 4.077 0 40 DIAB C(=C/c1nn2c(-c3cccs3)nnc2s1)\c1cccs1 4770872 NTFHKGUVIKKWPO-AATRIKPKSA-N 316.436 4.146 0 40 DIAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(F)cc1 5558729 COSZHEYFOCGPLB-XCVCLJGOSA-N 320.161 4.240 0 40 DIAB CC1(C)CN=C(SCc2ccc(Cl)cc2Cl)NC1 6881350 MQMGRGFBWPWDNH-UHFFFAOYSA-N 303.258 4.212 0 40 DIAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 7016444 NUYGIPRWYYLSJV-UHFFFAOYSA-N 308.425 4.171 0 40 DIAB Cc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)cc1 8371728 GCILVHXURUTOGR-CIAFOILYSA-N 319.360 4.362 0 40 DIAB CC(=O)N[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)C 8778463 RVQBLSZHIHUVCZ-KRWDZBQOSA-N 318.461 4.033 0 40 DIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3)oc2c1 9194308 STASXSMJFGBRTB-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CCCCN(CC)C(=O)c1csc(Nc2ccccc2C)n1 9846064 SIQRGWCMPOVGRE-UHFFFAOYSA-N 317.458 4.457 0 40 DIAB O=C1CCCN1c1ccccc1NCc1ccccc1Cl 11618316 VIFTUKOHZUXEJM-UHFFFAOYSA-N 300.789 4.079 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)no2)cc1 11916411 OYBYKMKASSPMAR-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB Cc1cccc(NC(=O)c2cc3ccccc3c(=O)s2)c1C 12274384 DXOXZDNRAKPVOQ-UHFFFAOYSA-N 309.390 4.131 0 40 DIAB C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccn1 12551512 HQBGMFVGWJIODQ-SNVBAGLBSA-N 318.302 4.217 0 40 DIAB O=C(Nc1ccc(F)cc1F)N(Cc1ccc(F)cc1)C1CC1 12729561 UJSQJOOFWBGPNA-UHFFFAOYSA-N 320.314 4.300 0 40 DIAB Cc1ccc(-c2nc(CSC3=NCCS3)cs2)cc1 14066957 IXUQYYNFARMKNT-UHFFFAOYSA-N 306.481 4.455 0 40 DIAB O=C(Cn1ccc2ccccc21)c1ccc(Br)cc1 14137347 DTRDFSRKLJMMCW-UHFFFAOYSA-N 314.182 4.287 0 40 DIAB C[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2cc(Cl)ccc2o1 19458583 WXDMFCVWVQVTDT-OZTPJHRESA-N 315.800 4.476 0 40 DIAB Cc1ccc(N)cc1NC(=O)c1ccccc1OCCC(C)C 19736113 SMDSBVDJCRMCBL-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1 20050476 UOFCWWNTFNGTGR-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1 21786502 NCRBJUQGHQTOGY-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB Cc1ccc(Nc2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1 21908637 ANBCSQNDEHQZNS-UHFFFAOYSA-N 322.393 4.032 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1 24885883 QAQAJZXLZGQQEB-BQYQJAHWSA-N 309.394 4.099 0 40 DIAB C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(-n2cccc2)cc1 32611084 SGGAXRFIEZNGAZ-AWEZNQCLSA-N 323.371 4.499 0 40 DIAB CC[C@H](NC(=O)C[C@H]1C=CCC1)C12CC3CC(CC(C3)C1)C2 36752656 NLGGYOWEYQKNGW-HYLHYLHVSA-N 301.474 4.454 0 40 DIAB Cc1nc(NC(=O)c2cc3cc(F)ccc3s2)sc1C 39978240 QCVFWBSVPQXTEY-UHFFFAOYSA-N 306.387 4.366 0 40 DIAB O=C(c1cccc2c(Br)cccc12)N1CCCCC1 41127284 XEEWWWFCVMPTCP-UHFFFAOYSA-N 318.214 4.228 0 40 DIAB Cc1cccc(C)c1NC(=O)NCCSc1ccccc1 43358237 CTIABZUOBDKRBY-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB CCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1Cl 44904509 PBONBEFODXEMFJ-UHFFFAOYSA-N 309.793 4.036 0 40 DIAB Cc1ccc2oc(Nc3nc4c(C)cc(N)cc4s3)nc2c1 57352668 LWRPEYNWMQGCNO-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB CSc1nc(O)c2scc(-c3ccccc3Cl)c2n1 62591985 HSQUUUVMRMDVKX-UHFFFAOYSA-N 308.815 4.439 0 40 DIAB S=C1N[C@H](c2ccccn2)C2(CCCCC2)N1c1ccccc1 68561899 GHJVNUKXHNUMAA-QGZVFWFLSA-N 323.465 4.220 0 40 DIAB Cc1nnc([C@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)o1 72281415 DXBAFVAEEMVLIX-AWEZNQCLSA-N 322.412 4.188 0 40 DIAB Cc1cc(C)c(C)c(OC(=O)[C@H](c2ccccc2)n2cccn2)c1 84074975 GPLSRVHLMKOQMJ-IBGZPJMESA-N 320.392 4.003 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C2=CC(=O)OC23CCCCC3)C1 100215842 YIFBNRAHKNSVSS-KBXCAEBGSA-N 303.446 4.031 0 40 DIAB O=C(COc1ccc2c(c1)CCCC2)NC1CCCCCCC1 224754186 UFOMEHRJVVYJRT-UHFFFAOYSA-N 315.457 4.173 0 40 DIAB CC(C)CC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352659 ZVDAFHACAOFAJW-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB CCCCCC[C@@H](C(=O)c1ccc(OC)cc1)N1CCCC1 299817315 TVTBLEFOUUDRBK-SFHVURJKSA-N 303.446 4.313 0 40 DIAB in-vitro Cc1ccccc1-c1ccnc(Cl)c1C(=O)NC(C)(C)C 2362797655 KBUNNFYYAJSWOJ-UHFFFAOYSA-N 302.805 4.239 0 40 DIAB COC(C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1 327845 WAOMKTQAGZQVAL-UHFFFAOYSA-N 317.388 4.215 0 40 DIAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H]1CCCO1 467335 KIYDTTKIKIXTLO-OAHLLOKOSA-N 324.405 4.081 0 40 DIAB CN(Cc1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 1738609 CUMMFLYQLIZKDG-UHFFFAOYSA-N 315.416 4.477 0 40 DIAB CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 2633152 SLGUXKYLMNBFPV-OAHLLOKOSA-N 317.454 4.021 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccs1 3318764 XIIIXCJVQLXLEV-GFCCVEGCSA-N 317.410 4.057 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)c1c(F)cccc1F 3326617 VEJMOOVYCGAVNV-UHFFFAOYSA-N 311.715 4.188 0 40 DIAB COc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)O)c2c1 3757711 IGSJYIRGBRDPTP-UHFFFAOYSA-N 319.769 4.324 0 40 DIAB O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cccs1 4932056 NANANGSZKWRNQH-UHFFFAOYSA-N 319.389 4.339 0 40 DIAB O=C1O[C@@](Cc2ccccc2)(c2ccccc2)c2ccccc21 5121206 FIOFTNINTRQDRO-NRFANRHFSA-N 300.357 4.343 0 40 DIAB CCCC[C@H](CC)CNC(=O)/C=C/c1ccc(OC)c(OC)c1 5467566 MLBHRGIBPLGDED-PABFRNLHSA-N 319.445 4.050 0 40 DIAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12CC(C)=C(C)CS2 5602926 SYTPPPINRXBZHH-MRXNPFEDSA-N 320.845 4.275 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c1 9816888 JYOSWKGXAVJMJH-GOSISDBHSA-N 313.397 4.190 0 40 DIAB CCOc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 10448443 LYZVXKYHXOMFLR-FMIVXFBMSA-N 315.800 4.068 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)N1CCCc2ccccc21 10449461 LRHPNISYIVNGSY-OAHLLOKOSA-N 311.450 4.288 0 40 DIAB O=C(Nc1ccccc1Cl)c1cc(-c2cccs2)on1 11914702 CDJHCYVXZIJEDS-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB O=C(Oc1ccccc1F)c1cc(-c2ccc(Cl)cc2)on1 11914863 YLMDEHYKBWWFGV-UHFFFAOYSA-N 317.703 4.353 0 40 DIAB Cc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 14739034 CMLAPJJEPZXGNO-UHFFFAOYSA-N 309.287 4.031 0 40 DIAB C[C@@H]1CC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2C1 19957337 UVYRJNUVMYXOKP-QMMMGPOBSA-N 322.195 4.292 0 40 DIAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCCC1 24562339 PQFIJBOJJNWZAE-UHFFFAOYSA-N 308.425 4.014 0 40 DIAB COc1cc2c(cc1CN[C@H]1CCCc3ccccc31)O[C@H](C)C2 25259860 KOQNBDLESMLTMX-KUHUBIRLSA-N 323.436 4.186 0 40 DIAB CN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26291272 HAVKGQDXEDVJND-GHMZBOCLSA-N 320.380 4.011 0 40 DIAB CCn1c(NC(=O)c2c(F)cccc2Cl)nc2ccccc21 27923302 GBYRHLIVQQNSTA-UHFFFAOYSA-N 317.751 4.101 0 40 DIAB Cc1oc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1 30835612 JIVWAPVVOWWIPU-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB CCCCOc1c(Br)cccc1Br 35973577 GTHGXKMDLKNKOE-UHFFFAOYSA-N 308.013 4.391 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2cccs2)o1 40012188 KOSUTZQLHKADKS-DOMZBBRYSA-N 303.427 4.056 0 40 DIAB COc1cccc2cc(CNCc3cc(F)cc(F)c3)oc12 40086361 QXGOSCJHTOAKBU-UHFFFAOYSA-N 303.308 4.009 0 40 DIAB COc1ccc([C@@H]2CCCN2c2nc(-c3ccccc3)no2)cc1 58369173 MHNWFCUYOKJDTC-KRWDZBQOSA-N 321.380 4.087 0 40 DIAB Cc1nc2ccccc2n1C[C@@H](O)c1ccccc1C(F)(F)F 62580919 PPYXYQFXBMOPBT-MRXNPFEDSA-N 320.314 4.097 0 40 DIAB Cc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1F 71761681 OQXJEQNPRCUDID-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB CC(C)CN1CCC[C@H]1c1cccnc1OCc1ccccc1 72212083 TYVXZFGEZRCVSG-IBGZPJMESA-N 310.441 4.454 0 40 DIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1cccc2[nH]ccc12 72274469 XMHSBBKHJNMEEJ-SFHVURJKSA-N 322.456 4.287 0 40 DIAB Cc1cc(F)cc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)c1 74949931 FPHZMGPKFSYLMB-NSHDSACASA-N 305.315 4.183 0 40 DIAB CCOC(=O)c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 95215890 JVMKQANDCICSDE-UHFFFAOYSA-N 311.259 4.069 0 40 DIAB Cc1ccc(-c2cccc(CN3CCC[C@H]([C@H](C)O)C3)c2)cc1 108386988 RYPDREVQBFRYQL-UWJYYQICSA-N 309.453 4.255 0 40 DIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 108924807 HYTKPAJFUFMASA-LDDOYCOJSA-N 310.441 4.041 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222994440 RMKOQKVSAFEVQC-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB Cc1ccc(C)c(NC(=O)COc2cccc3c2CCCC3)c1 223186696 RHJFOSBQPWJEQC-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)NCCSC2CCCC2)cc1 224373267 SEVIVVNKOLTZDW-AWEZNQCLSA-N 323.527 4.268 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3ccccc3C2)c1 225698737 DTFCSXHQXOCASC-UHFFFAOYSA-N 323.436 4.082 0 40 DIAB CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1)C1CC1 225722368 WDMWATKLJHXLGX-FZKQIMNGSA-N 305.418 4.008 0 40 DIAB CCCOc1ccccc1CCCNC(=O)NC1CCCCC1 225756877 IPIMOCGRDYHAGG-UHFFFAOYSA-N 318.461 4.040 0 40 DIAB COc1cc(C=O)cc(CSC)c1OCc1ccc(C)cc1 226288305 JSRPQAVHXLXBQV-UHFFFAOYSA-N 316.422 4.258 0 40 DIAB C[C@H]1CC[C@H]2[C@H](O1)c1ccc3c(c1OC2(C)C)OC(C)(C)C3 257298285 RLBFAONYWBGFDR-HZUKXOBISA-N 302.414 4.427 0 40 DIAB O=C(Oc1ccc2nccnc2c1)c1ccc2ccccc2c1 408978427 ZTZSBEOAJIBNEY-UHFFFAOYSA-N 300.317 4.002 0 40 DIAB c1ccc([C@H]2C[C@@H](Nc3ccc(-c4cnco4)cc3)CCN2)cc1 518339178 QFRKFRMZBCNLQO-RBUKOAKNSA-N 319.408 4.247 0 40 DIAB COc1cccc(COc2c(F)cccc2Br)c1 575356886 KOVAPAOLEFAOLE-UHFFFAOYSA-N 311.150 4.176 0 40 DIAB Cc1ccc2c(c1)Cc1c(S)nc(-c3ccccc3O)nc1O2 585148596 SFYWLWVYYQTFRT-UHFFFAOYSA-N 322.389 4.143 0 40 DIAB COc1cccc(F)c1CN1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 585286349 QCQCGTCWJVLFDF-IFXJQAMLSA-N 321.436 4.004 0 40 DIAB NC(=S)S[C@H](CC(=O)c1ccccc1)c1ccsc1 74464 PEGKBRXZOKOCGM-CYBMUJFWSA-N 307.465 4.039 0 40 DIAB c1ccc2sc(SCc3cn4ccsc4n3)nc2c1 193638 AQDXZCMAHMARDK-UHFFFAOYSA-N 303.437 4.298 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)CCCC2 2183328 LQUKQZGVVRDRFS-MRXNPFEDSA-N 307.437 4.375 0 40 DIAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 2514534 KMPUPAJNUYLMFT-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 2620902 ZPZRDXHBQNYTRU-GFCCVEGCSA-N 319.788 4.145 0 40 DIAB CCc1ccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)cc1 3330360 OWUGSHDIBBZUSL-LBPRGKRZSA-N 316.392 4.220 0 40 DIAB CSc1cccc(NC(=O)c2ccccc2Br)c1 3548761 BQIOIWJKNOYSMK-UHFFFAOYSA-N 322.227 4.423 0 40 DIAB CSc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 3608593 OCAKYHZKNFCERT-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB O=C(/C=C\c1ccc(Cl)c(Cl)c1)n1cc(Cl)cn1 4628524 RUTFKYHFVZZFNU-RQOWECAXSA-N 301.560 4.197 0 40 DIAB COc1ccc(NC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)cc1 4675430 DVDUKVWDIJJRLD-UHFFFAOYSA-N 322.408 4.283 0 40 DIAB COc1ccccc1Nc1nc(C)nc2c1oc1ccccc12 5148814 RIBQTZVOJYHAOG-UHFFFAOYSA-N 305.337 4.437 0 40 DIAB O=C(Nc1nccs1)C1c2ccccc2Oc2ccccc21 5517375 OHPWCFZNMSTUHB-UHFFFAOYSA-N 308.362 4.019 0 40 DIAB c1csc(CNc2ncnc3sc4c(c23)CCCC4)c1 7983331 SQVISSKETWLABZ-UHFFFAOYSA-N 301.440 4.244 0 40 DIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(Cl)cc1 8232524 SZLIJTMXUUDPID-AWEZNQCLSA-N 320.845 4.177 0 40 DIAB Cc1nc2ccccc2nc1Sc1nnc(-c2ccccc2)o1 8306397 KOHPWBAEVNSKAC-UHFFFAOYSA-N 320.377 4.139 0 40 DIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 12529812 VAZOAORHOPZGEG-UHFFFAOYSA-N 319.389 4.315 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]2CCCC[C@@H]21 12607563 AQLJYTBMJVDHTI-APWZRJJASA-N 308.425 4.272 0 40 DIAB CC1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 12807499 QACCRWZBXMEADC-UHFFFAOYSA-N 300.229 4.231 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 12935965 QSUAFIYTWBPQKL-MRXNPFEDSA-N 303.764 4.360 0 40 DIAB CSc1ccccc1NC(=O)COc1cc(C)cc(C)c1 14399733 VILRYODUDKZABO-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1cc(-c2nnc(SCc3cccc(F)c3)n2C)cs1 17055031 LXMGUFLZMDOWEX-UHFFFAOYSA-N 319.430 4.283 0 40 DIAB CC(C)Oc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 17297559 BPFIBWIWBXDZHU-UHFFFAOYSA-N 317.816 4.100 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 20488529 DEKYOYLSPMEZET-KRWDZBQOSA-N 311.425 4.340 0 40 DIAB CC(C)CO[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1 23467560 OIIIOICLCBFRRN-IBGZPJMESA-N 317.404 4.037 0 40 DIAB CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCCc2ccccc21 24829958 DBKQBWBEEIPDOQ-OAQYLSRUSA-N 317.436 4.382 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 24960749 LXKHEQZJGWSCBZ-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB Cc1cc(C(=O)CCC(=O)NCCC2=CCCCC2)c(C)s1 32731469 LDPGPBNMGCBRDP-UHFFFAOYSA-N 319.470 4.335 0 40 DIAB O=C(CCSc1ccccc1)N1CC[C@H](c2ccccc2)C1 38567167 WTUGMLXZLKYEGJ-KRWDZBQOSA-N 311.450 4.185 0 40 DIAB Cc1ccc2nc(/C(Cl)=C/c3ccc(C)c(C)c3)cc(=O)n2c1 40139790 XUQWDYVEUUXXFH-SXGWCWSVSA-N 324.811 4.357 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCc1cccc(OC)c1 43340975 BMDJYNMPBYOMTH-UHFFFAOYSA-N 312.413 4.142 0 40 DIAB Cc1ccc(CN(CCCOC(C)C)Cc2ccncc2)s1 57797119 RMZCFGBGGALXHU-UHFFFAOYSA-N 318.486 4.269 0 40 DIAB CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1 58869609 ZFLDTFYJETVVJS-ZDUSSCGKSA-N 303.789 4.160 0 40 DIAB CC(C)c1cnc(CSc2nc(-c3ccccc3F)n[nH]2)o1 71904400 KATSKSBWUIWQRY-UHFFFAOYSA-N 318.377 4.015 0 40 DIAB CCC1CCC(N(C(=O)[C@@H]2CC2(Cl)Cl)C2CC2)CC1 97167311 TZSLYHNIIWSPJQ-XIVSLSHWSA-N 304.261 4.140 0 40 DIAB c1cnc2ccc(CN3CCC[C@H](c4nccs4)C3)cc2c1 127597991 HNGCKCSTRXPZQO-INIZCTEOSA-N 309.438 4.071 0 40 DIAB O=C(Cc1cccc(Cl)c1)NCCCc1ccccc1Cl 223119950 JXZPVCBLHKKEQY-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 253498769 SPPQPIJYSMWOGE-QGVNFLHTSA-N 316.485 4.469 0 40 DIAB biogenic CCSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 408526990 IQZPUHKLZKNMAP-UHFFFAOYSA-N 302.230 4.384 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cccc(OC(C)C)c2)cc1 408563010 HNVPFJAWTKUTRX-FMIVXFBMSA-N 311.381 4.134 0 40 DIAB O=C(CSCc1ccccc1)NCCSC1CCCCC1 409025824 XSFYBSBFIKVIPW-UHFFFAOYSA-N 323.527 4.102 0 40 DIAB Cc1cccc(N2N[C@@]3(C[C@@H](C)CC(C)(C)C3)NC2=S)c1C 1827327 CQWYOQVERMSPIX-KPZWWZAWSA-N 317.502 4.045 0 40 DIAB O=C(CCc1ccccc1Cl)NCc1cccc(Cl)c1 3326264 NLZKNLCGRNKRPG-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB COc1ccc(NC(=O)c2ccc(CSC)cc2)cc1Cl 3407244 IAARCAMXZVHPAE-UHFFFAOYSA-N 321.829 4.464 0 40 DIAB C[n+]1c(C=Cc2ccc([N+](C)(C)C)cc2)ccc2ccccc21 3845709 CSSVPYKFAZWJSM-UHFFFAOYSA-N 304.437 4.031 0 40 DIAB CCCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699059 TVBCGZOKAIDEFX-OAHLLOKOSA-N 318.461 4.081 0 40 DIAB C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6472588 WRWBCPJQPDHXTJ-PAPWGAKMSA-N 304.474 4.061 0 40 DIAB Cc1cccc(NC(=S)NCCCOC2CCCCC2)c1 7011065 ZEIIQXZWDYJCSJ-UHFFFAOYSA-N 306.475 4.021 0 40 DIAB Cc1cc(C)cc(-n2nnnc2S[C@@H](C)c2ccccc2)c1 7713878 SFRGKNOFNRFOHY-AWEZNQCLSA-N 310.426 4.132 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1csc(-c2ccsc2)n1 7951504 APCZIXQGAQQLDZ-UHFFFAOYSA-N 322.361 4.402 0 40 DIAB Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9315804 XKSCNGPQNQFNOV-INIZCTEOSA-N 315.369 4.308 0 40 DIAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 11565696 MERQMAIZKXALFF-DLBZAZTESA-N 323.392 4.183 0 40 DIAB CC(C)c1ccc(OCCn2c(C=O)nc3ccccc32)cc1 11735064 FDXNMTACBKXETM-UHFFFAOYSA-N 308.381 4.051 0 40 DIAB Cc1nc2c(C)c(Cl)ccc2c(O)c1CN1CCC(C)CC1 11990266 LFBSPVOTTCMKMA-UHFFFAOYSA-N 318.848 4.443 0 40 DIAB CCn1/c(=N\C(=O)c2ccccc2)sc2cc(Cl)ccc21 12180822 CVWIMAXCOFYQNJ-FBMGVBCBSA-N 316.813 4.117 0 40 DIAB COc1ccccc1N(CCC(C)C)C(=O)Nc1cccnc1 12324308 DQHZYXVXGYIXRX-UHFFFAOYSA-N 313.401 4.175 0 40 DIAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc(F)cc1 12528536 FUNTVFLIBZVGIA-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB CCc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12607984 OXKDJRQJEOBLGV-UHFFFAOYSA-N 306.409 4.024 0 40 DIAB Cc1ccccc1Nc1nc(C(=O)NCc2ccccc2)cs1 13881288 OGVLKQDKYYUACN-UHFFFAOYSA-N 323.421 4.125 0 40 DIAB CCc1ccc(CN(Cc2sccc2C)C[C@H](C)O)cc1 13991370 YTLUXBFFPHILTM-HNNXBMFYSA-N 303.471 4.002 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 14796299 RFHAXOCRNJIJSM-HNNXBMFYSA-N 313.397 4.188 0 40 DIAB Cc1cccc2nc(CSc3ccc4ccccc4n3)cn12 16362506 WCLCVGNUPGYSPJ-UHFFFAOYSA-N 305.406 4.483 0 40 DIAB Cc1cc(O)c(Br)c(C)c1NC(=O)c1ccccc1 16779971 WOFAEJDSKCTKNW-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB O=c1[nH]c(=S)[nH]c2scc(-c3ccc4c(c3)CCCC4)c12 20371048 CFGNKGGHJFXFIV-UHFFFAOYSA-N 314.435 4.193 0 40 DIAB Cc1ccccc1-c1nc2ccc(NC(=O)C(F)(F)F)cc2o1 21002815 UDZYLYCEVWWXES-UHFFFAOYSA-N 320.270 4.304 0 40 DIAB CC(C)NC(=S)N[C@H](c1ccccc1)c1cc2ccccc2o1 24633010 QELRLMFJTWGIBY-GOSISDBHSA-N 324.449 4.395 0 40 DIAB C[C@H](NC(=O)NCc1ccccc1F)c1ccc(Cl)s1 27350078 PTSVATLEUSCUKH-VIFPVBQESA-N 312.797 4.101 0 40 DIAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCCC1 29485964 VNIHRRHVWTVJCA-UHFFFAOYSA-N 318.376 4.245 0 40 DIAB COc1ccc(Cl)cc1NC(=O)N(C)Cc1sccc1C 43168638 SSGKSZWJKZKDGK-UHFFFAOYSA-N 324.833 4.382 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)N[C@H](C)CCc1ccccc1 58355201 PAUAGEXRUCCKJS-HDICACEKSA-N 324.468 4.328 0 40 DIAB Clc1cncc(NCC(c2ccccc2)c2ccccc2)n1 58356069 XGBIMUZTKQJEHX-UHFFFAOYSA-N 309.800 4.374 0 40 DIAB O=C(COc1ccc2ccccc2c1)Nc1cccc2[nH]ccc12 58420169 QHZXBLOQRSVDMT-UHFFFAOYSA-N 316.360 4.339 0 40 DIAB Cc1nnc([C@@H]2Cc3ccccc3CN2CC2CCCCC2)o1 58430112 WSDNHGMORNAWPA-SFHVURJKSA-N 311.429 4.058 0 40 DIAB COc1ccc(Cl)cc1[C@H](C)N[C@H](C)c1c(C)noc1C 96477622 MBWXCBLCYWFQQQ-VHSXEESVSA-N 308.809 4.365 0 40 DIAB [C-]#[N+]c1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(F)cc1 100041083 OQTWSGBVNVHGEM-FQEVSTJZSA-N 324.399 4.492 0 40 DIAB in-vitro CC[C@@H]1c2ccsc2CCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 107327367 FCYFMXXFYWMBRG-TTZDDIAXSA-N 303.471 4.410 0 40 DIAB O=C(c1ccoc1)N1CCS[C@H](c2ccccc2Cl)CC1 206995725 OBRNMIXJTFYYFQ-HNNXBMFYSA-N 321.829 4.253 0 40 DIAB COC(=O)c1ccc2oc(-c3cccc4ccccc34)nc2c1 216793374 OXLWOGZSXUUYMG-UHFFFAOYSA-N 303.317 4.435 0 40 DIAB O=C(CSCc1cccc(Cl)c1)NCC1CCCCC1 223405661 MDPOWHMFLQQOTO-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2ccccc2Cl)C(=O)O)c1 225056179 JTIBDSVNYDLDEV-INIZCTEOSA-N 304.773 4.032 0 40 DIAB COc1ccc(NC(=S)NCc2ccccc2C)cc1Cl 225308825 MHBBPLAPXKKQPZ-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB CCCCc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1 225446540 GGVFNQMPTBHTPX-UHFFFAOYSA-N 323.440 4.247 0 40 DIAB Cc1ccc(Cl)cc1Nc1ccc(N)cc1C(=O)NC(C)C 225473776 HMYVIPMOEVFNBI-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260767830 PGAVMOGYGAHDAI-OVWQWFNUSA-N 315.457 4.191 0 40 DIAB CC(C)CN1CCC2(CCc3ncc(-c4ccccc4)n3C2)CC1 306144307 ZBYWBGPAXIJARD-UHFFFAOYSA-N 323.484 4.235 0 40 DIAB O=C(NCCc1ccc(-c2cccs2)s1)[C@H]1CC=CCC1 1889229446 NJYYZGFXODAZFB-ZDUSSCGKSA-N 317.479 4.492 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 385146 HYBDKWKARIPULY-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB Cc1nc2c3ccccc3nc(SCc3ccc(F)cc3)n2n1 424906 LOPPKCSYQUKSJF-UHFFFAOYSA-N 324.384 4.017 0 40 DIAB O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@@H]1Cc1ccco1 500345 YFLRKXISNOEIDD-WBMJQRKESA-N 318.804 4.466 0 40 DIAB CCOc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1400157 CKXXNERVVJCQGK-UHFFFAOYSA-N 310.197 4.066 0 40 DIAB CCOc1ccc([C@@H](CC)c2cc3c(cc2OC)OCO3)cc1 1586956 GUVFCYYUMXCCSH-OAHLLOKOSA-N 314.381 4.365 0 40 DIAB CC[C@@H](C)c1ccc(OCCn2c(CO)nc3ccccc32)cc1 1926860 CZWWSVQTABPLGY-OAHLLOKOSA-N 324.424 4.121 0 40 DIAB COCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 1926912 DKHWSHIVNACOLN-UHFFFAOYSA-N 324.424 4.350 0 40 DIAB N[C@H](Cc1ccccc1)C(F)(c1ccccc1)c1ccccc1 2506618 MAQPVYODFPAVII-HXUWFJFHSA-N 305.396 4.470 0 40 DIAB N[C@@H](Cc1ccccc1)C(F)(c1ccccc1)c1ccccc1 2506619 MAQPVYODFPAVII-FQEVSTJZSA-N 305.396 4.470 0 40 DIAB O=C(CNc1ccccc1-c1ccccc1)NCc1ccccc1 3273120 AXXFFGSCUWRDJL-UHFFFAOYSA-N 316.404 4.082 0 40 DIAB CCOc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 3443108 AIRHLBOLIOYUIK-UHFFFAOYSA-N 308.381 4.436 0 40 DIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(F)c1 3548377 QVZTVBOBWKHPDE-NSHDSACASA-N 307.752 4.194 0 40 DIAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccn1 4123460 PWDICYFTCVZFHK-FQEVSTJZSA-N 314.392 4.468 0 40 DIAB CC(C)CCSc1nc(N)c2c3c(sc2n1)CCCC3 4562317 VWTZLRLPGNJAPR-UHFFFAOYSA-N 307.488 4.291 0 40 DIAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2)cc1OC 6207083 VHFRLUUMAVYSOH-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB CCCn1c(C)cc(-c2csc(NC(=O)C3CCC3)n2)c1C 6288255 AQTPNCXQVBDKBS-UHFFFAOYSA-N 317.458 4.377 0 40 DIAB Cc1ccc(C)c(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)c1 6536357 MWMKKZYSLZBJIJ-UHFFFAOYSA-N 316.451 4.343 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 8041477 VPTLVMQQOAIEAT-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)N[C@@H](c1ccccc1)C1CC1 9878380 UIOPHCNALRIZJM-OALUTQOASA-N 306.409 4.124 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CCc1ccccc1 17116226 KMUMDRQKPGGAGT-SJORKVTESA-N 310.441 4.377 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1c2ccccc2C[C@H]1C 20050230 DRZNNQASBBEJQL-DNVCBOLYSA-N 309.409 4.130 0 40 DIAB CCCCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136601 IUFDLTRNSOVVPM-UHFFFAOYSA-N 307.777 4.221 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccnc1 20482943 LSFBUFWSOWPMQS-GOSISDBHSA-N 306.365 4.031 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(O)c3ccccc23)cc1C 23078008 UUFJCKAIQUVAGZ-UHFFFAOYSA-N 305.377 4.343 0 40 DIAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(F)cc1 23689697 KHAZIOGSZKAZNA-LBPRGKRZSA-N 303.402 4.429 0 40 DIAB C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1cccc(Cl)c1 31880865 ROADHYKXHSARAJ-LLVKDONJSA-N 323.770 4.428 0 40 DIAB Cc1ccccc1OCCN(C)Cc1coc(-c2ccccc2)n1 32806029 XLPVGFWKCXKSOG-UHFFFAOYSA-N 322.408 4.161 0 40 DIAB Cc1c(C(=O)N(C)c2nc3ccccc3o2)oc2ccccc12 32901890 ONPBFKIRTPQOES-UHFFFAOYSA-N 306.321 4.159 0 40 DIAB CSc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CC1 38591212 PYSUJQQUQLMPGR-UHFFFAOYSA-N 315.413 4.009 0 40 DIAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccoc1 40012868 BRJAWYVSMIIBAC-UHFFFAOYSA-N 304.777 4.176 0 40 DIAB O=C(Nc1nc(-c2cccc(F)c2)cs1)OCC(F)(F)F 62149307 RYTSUFZNSLUZRW-UHFFFAOYSA-N 320.267 4.060 0 40 DIAB in-vitro CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](C(F)(F)F)S1 71286540 CQGXBFGKHRPENN-SECBINFHSA-N 305.325 4.104 0 40 DIAB Cc1cnc(Nc2cccc([C@H]3CCCN3CC3CC3)n2)s1 72375232 GEGBCGDVTKOOLR-OAHLLOKOSA-N 314.458 4.137 0 40 DIAB CC(C)CC(=O)Nc1cccc(CNC[C@@H]2CC=CCC2)c1 78702873 BTQDWIFRMGKQRW-MRXNPFEDSA-N 300.446 4.117 0 40 DIAB Clc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 89065168 BBZQHAUQITTWDE-UHFFFAOYSA-N 318.785 4.465 0 40 DIAB CC(C)c1nnc(CNc2ccc(SC(F)(F)F)cc2)o1 95426051 MUUONRRHEWFNDO-UHFFFAOYSA-N 317.336 4.417 0 40 DIAB c1ccc(CN2C[C@@H](c3ccccc3)[C@@H]3NCCCCC[C@H]32)cc1 95951725 YBFQLLYYUCFUQM-BDTNDASRSA-N 320.480 4.187 0 40 DIAB Cc1ocnc1CNC(=O)N(c1ccccc1)c1ccccc1 97082845 BNFZKSGNYJAZTF-UHFFFAOYSA-N 307.353 4.031 0 40 DIAB CCn1c([C@H](C)NCc2ncoc2C(C)C)nc2ccccc21 97103337 LBCUOZLEFXMWKE-ZDUSSCGKSA-N 312.417 4.018 0 40 DIAB COc1cc(CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1 195530578 VBJLJOVEFPWEFT-DKSSEZFCSA-N 303.446 4.008 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225034553 YEKPOPBMNHGRHZ-IBGZPJMESA-N 312.409 4.303 0 40 DIAB CCn1c(O)c2c(nc1=S)-c1ccccc1C[C@@]2(C)CC 253496364 BIWMXLJGOWAPFQ-QGZVFWFLSA-N 300.427 4.229 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1c(F)cccc1F 408680933 UCSNUTQULSNNCK-OAHLLOKOSA-N 305.324 4.069 0 40 DIAB Cc1ccc2cc(CN(Cc3ccccn3)C(C)C)ccc2n1 527356042 VRVDXWLSLRILBB-UHFFFAOYSA-N 305.425 4.349 0 40 DIAB CCN(CC)c1ccc(/C=C2/C(=O)Nc3ccccc32)c(OC)c1 574885 UXILSKCWBZGBBT-SFQUDFHCSA-N 322.408 4.034 0 40 DIAB Fc1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 922345 ZMMPJDNEOHKNMA-UHFFFAOYSA-N 304.321 4.307 0 40 DIAB [O-][N+]1=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1 1561997 OSAUDCINISZLBG-FPOVZHCZSA-N 315.372 4.456 0 40 DIAB CCCCCN1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C 2190282 LLLKFHBUBLEWAT-KRWDZBQOSA-N 302.462 4.205 0 40 DIAB O=C(NCc1ccccc1Cl)c1ccc(Br)cc1 2634328 PFGIUGPNQJGBQO-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB CC(=O)c1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 2708114 QUJSVIBXHZXQQK-LLVKDONJSA-N 313.422 4.328 0 40 DIAB c1nc(NC2CCCCCCCCCCC2)c2nc[nH]c2n1 2719614 RBMZKRPWANJZMJ-UHFFFAOYSA-N 301.438 4.438 0 40 DIAB S=C(NC1CCCCC1)N(Cc1ccco1)Cc1ccco1 2769523 GUSMGLZIZMWUEK-UHFFFAOYSA-N 318.442 4.082 0 40 DIAB COc1ccc(C(=O)Nc2cccc3ccccc23)c(OC)c1 6230138 MGDOYQAKOVCAJL-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB O=C(Nc1ccc(F)cc1)c1csc(Cc2ccccc2)n1 6240361 IFLSPKSCDWIOKZ-UHFFFAOYSA-N 312.369 4.125 0 40 DIAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 7420724 IAANOABPNAFBPR-AWEZNQCLSA-N 316.832 4.107 0 40 DIAB COc1cc(OC)c(Nc2ncnc3sccc23)cc1Cl 7983243 GLAVMWCJXKGBOB-UHFFFAOYSA-N 321.789 4.106 0 40 DIAB CCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 8227187 NPDUROZHNRFCLI-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB CCN(Cc1ccccc1)Cc1c(C)nc2ccccc2c1O 8717595 NRTIQVHBXRVRNJ-UHFFFAOYSA-N 306.409 4.271 0 40 DIAB CC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccccc1 9698429 CGTZOJIUGFZBJS-GOSISDBHSA-N 317.392 4.133 0 40 DIAB Cc1cccc(-n2nc(C(=O)O)cc2-c2cc(C)ccc2C)c1 11801733 YSOAKMYVDYPHHK-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB C[C@H]1CN(C)[C@H](C)C[C@]1(OC(=O)c1ccccc1)c1ccccc1 13126278 ADUJECNUNSENPU-CSODHUTKSA-N 323.436 4.099 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 13710826 RXQSQQJEEWTOIH-INIZCTEOSA-N 303.446 4.300 0 40 DIAB Fc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 13792319 BVOYLWNJUGKWNG-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB c1ccc2c(-c3ccsc3)nnc(Cc3ccncc3)c2c1 19376158 IPGLNMSNNQLPGW-UHFFFAOYSA-N 303.390 4.344 0 40 DIAB COc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1 19737703 HJVBWRWWPHANPL-UHFFFAOYSA-N 312.196 4.493 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1 23682538 RZQGEUXFRVKHIR-OAHLLOKOSA-N 324.449 4.290 0 40 DIAB CCc1cc(C(=O)N[C@H](C)CCc2ccccc2)sc1C 28198455 VZKUMGPRXPMCIG-CYBMUJFWSA-N 301.455 4.370 0 40 DIAB C[C@H](Nc1nc2ccccc2o1)c1ccc(NC(=O)C2CC2)cc1 32779343 GFIYWTBASGEUNT-LBPRGKRZSA-N 321.380 4.349 0 40 DIAB CN(C(=O)Cc1cccc2ccccc12)c1nc2ccccc2o1 32901880 KGGLQSRQFGUMTE-UHFFFAOYSA-N 316.360 4.187 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)N[C@H](c1cccs1)C(C)(C)C 32915468 XMWGLDNUTFJVFH-XJKSGUPXSA-N 317.454 4.419 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c1 38756109 DNHROVYWESDTBG-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CCc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 40098845 PZBOKDRYGRUGRS-GFCCVEGCSA-N 300.324 4.055 0 40 DIAB CCN(C(=O)c1cc(N)c(Cl)c(Cl)c1)c1ccccc1 40293407 DODBMSAFEPBEIB-UHFFFAOYSA-N 309.196 4.242 0 40 DIAB CC(=O)c1sc(Cc2ccc(Br)cc2)nc1C 40993748 CKQXYYUAGWDOPN-UHFFFAOYSA-N 310.216 4.007 0 40 DIAB O=C(c1ccccc1F)N(Cc1ccsc1)CC(F)(F)F 44447454 XECPOYZFECAHFN-UHFFFAOYSA-N 317.307 4.092 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccccc1Cl 45671267 LJTVHIJATWJKFX-AWEZNQCLSA-N 301.817 4.020 0 40 DIAB O=C(Nc1nc2c(s1)CCCCCC2)c1ccc[nH]c1=S 55374758 DKJOXHVDTNTTGK-UHFFFAOYSA-N 319.455 4.112 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(F)cc2F)S1 71287249 IUWPDRYFJGQNOT-ZDUSSCGKSA-N 323.368 4.334 0 40 DIAB CCc1ccc2oc(-c3cncc(Br)c3)nc2c1 73636066 AFJTVGFGXBXWRD-UHFFFAOYSA-N 303.159 4.215 0 40 DIAB Cc1cccnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 79034768 JQKOJGKCULSCOT-UHFFFAOYSA-N 308.378 4.067 0 40 DIAB Cc1cccc([C@H]2CCCN2Cc2cnn(C)c2C(F)(F)F)c1 79092939 ZZCAEQQJBATUFJ-OAHLLOKOSA-N 323.362 4.084 0 40 DIAB O=C(CN1C[C@H]2CCCC[C@]21c1ccccc1)Nc1ccccc1 79103707 VWFOIORFOGTVHU-NQIIRXRSSA-N 320.436 4.026 0 40 DIAB CC(C)(C)c1nnc(CSc2nc3ccc(Cl)cc3o2)o1 96404010 QUFVQXNJWPCPCZ-UHFFFAOYSA-N 323.805 4.454 0 40 DIAB Clc1cccc([C@@H](NCc2cccnc2)c2ccccn2)c1 96473238 OZXJSTUEJFOEDM-GOSISDBHSA-N 309.800 4.009 0 40 DIAB FC(F)c1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 216902314 PUALHQUOOZOLJB-UHFFFAOYSA-N 310.156 4.341 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223197485 AMRHYSNNVIQSGC-JKSUJKDBSA-N 323.436 4.128 0 40 DIAB COc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223260643 ICDRNKYSCZOHBH-CYBMUJFWSA-N 310.397 4.067 0 40 DIAB Cc1ccc(O[C@H](Cc2ccccc2Cl)C(=O)O)cc1C 225056982 DCYCCLVSVJDHDN-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1 225090108 GWAWMXFXTDDJFJ-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CCc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225659198 WGODNTQMVJBCDG-SFHVURJKSA-N 323.436 4.210 0 40 DIAB CNc1ccc2oc(-c3ccccc3Br)nc2c1 226270225 BNFAQZNBTHACFW-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB CCc1nn(C)cc1N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 552053116 TWPHLHRKBDXXRZ-NSHDSACASA-N 307.825 4.126 0 40 DIAB Cc1c(C)c(C)c(C(=O)C(F)(F)Br)c(C)c1C 575358916 XZPVXNMYJXYDIA-UHFFFAOYSA-N 305.162 4.399 0 40 DIAB Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 92317 BAHBAEPZFPEIGF-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB Cc1cc(C)cc(N2COc3ccc(Br)cc3C2)c1 529320 MDVLCMDGUVGCRP-UHFFFAOYSA-N 318.214 4.422 0 40 DIAB CCCn1c(C)c(C(=O)OCC)c2cc(O)c3ccccc3c21 581030 KSYLJTGBJYTIDY-UHFFFAOYSA-N 311.381 4.395 0 40 DIAB O=C(NC1c2ccccc2Oc2ccccc21)c1ccccc1 1661547 JIWARDKBQDKJPL-UHFFFAOYSA-N 301.345 4.312 0 40 DIAB Cc1cc(=O)n([C@H](C)c2ccccc2)n1[C@@H](C)c1ccccc1 1710539 IVSYXCFWNOBBAM-DLBZAZTESA-N 306.409 4.177 0 40 DIAB Cc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 2684728 XBZUVXMNMAYKOK-UHFFFAOYSA-N 303.429 4.467 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)c(F)cc1Cl 3305496 RMYLPBXYSNSHDA-SECBINFHSA-N 307.727 4.210 0 40 DIAB COc1cccc(NC(=S)Nc2cccc(SC)c2)c1 3414941 XINJKZUEMKOGAB-UHFFFAOYSA-N 304.440 4.226 0 40 DIAB CC(C)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 4549921 KSLOXLKHGBOXTI-BOPFTXTBSA-N 309.340 4.294 0 40 DIAB O=C(c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 4575903 BYGCABNNZBAJSU-UHFFFAOYSA-N 307.374 4.231 0 40 DIAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(F)c1 4678442 YCTYDLJCPHNOKB-UHFFFAOYSA-N 315.779 4.492 0 40 DIAB C[C@@H](NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 4969223 HGWKOWHSFFTYKL-OAHLLOKOSA-N 308.425 4.213 0 40 DIAB CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 5651323 GQHYKMYMSVJXJM-SLHNCBLASA-N 300.442 4.389 0 40 DIAB CC(=O)Nc1cccc(C(=O)O[C@H](C)c2ccccc2Cl)c1 5989997 MWWNNXOHILQTGK-LLVKDONJSA-N 317.772 4.216 0 40 DIAB CCCn1c(=S)[nH]c2scc(-c3ccc(F)cc3)c2c1=O 6482231 JWRUVWSLTLQTJL-UHFFFAOYSA-N 320.414 4.337 0 40 DIAB Cc1ccc(NC(=S)NCCSc2ccccc2)cc1C 7500711 SAJPNBBDSRXRHX-UHFFFAOYSA-N 316.495 4.382 0 40 DIAB S=C(NCCc1ccccc1)N1CCC[C@@H]1c1cccs1 7621965 ZBHMLFRDHAOIDF-OAHLLOKOSA-N 316.495 4.002 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc2c(s1)CCC2 7829869 OPEBZAQLQMPXJN-SNVBAGLBSA-N 303.452 4.058 0 40 DIAB c1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 8991259 WYUCJPOOWKVZGG-UHFFFAOYSA-N 317.377 4.001 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N1CCC(Cc2ccccc2)CC1 9305032 LORQPNXMYSYGOX-UHFFFAOYSA-N 318.420 4.263 0 40 DIAB c1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1 13129942 CVDIZNCRWXCQSX-IBGZPJMESA-N 314.392 4.041 0 40 DIAB Cc1cccc(C(=O)N2CCc3cc4cccc(C)c4nc32)c1 15841998 DTWYSLORMFYFNI-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1cc(-c2cnc3ccccc3n2)n2c1cnc1ccccc12 16283437 DVSJLCNNBBNXSA-UHFFFAOYSA-N 310.360 4.406 0 40 DIAB Nc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 19772078 WAAYTMPIZGQQPJ-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 20105548 QHURIBMRCJZCOR-KRWDZBQOSA-N 311.425 4.038 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC(C(C)C)C(C)C 20492726 RLZCBSPJKDLMSI-INIZCTEOSA-N 305.462 4.258 0 40 DIAB COC(=O)c1cc2cc(NC(=O)C3CCCCC3)ccc2s1 22251168 DQSQWEJTXJLPSB-UHFFFAOYSA-N 317.410 4.207 0 40 DIAB Cc1nc(NC(=O)COc2ccccc2C(C)(C)C)sc1C 28228195 MOPZGVHSFWSZFP-UHFFFAOYSA-N 318.442 4.075 0 40 DIAB Cc1ccccc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 32754449 OHIOPSBDXSOSSA-OAHLLOKOSA-N 322.408 4.373 0 40 DIAB O=C(Nc1nccs1)c1ccc(-c2cccs2)cc1F 32914070 LKWHOSYGXOSMMM-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB CC(C)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 52537268 LBBWWBVVWSGTKL-OAQYLSRUSA-N 308.469 4.029 0 40 DIAB Cc1nc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cs1 65549170 CZMIBFAKQPKIOF-UHFFFAOYSA-N 315.442 4.448 0 40 DIAB FC(F)(F)c1n[nH]c(SCc2cccc3ccccc23)n1 78406823 VSRKRZPRMXMSSZ-UHFFFAOYSA-N 309.316 4.269 0 40 DIAB Cc1ccc([C@@H](CC(=O)OC(C)C)NCc2ccccc2)cc1 95462536 UJEPOJWZZZCMQY-LJQANCHMSA-N 311.425 4.168 0 40 DIAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(F)c(C)c1 96659352 SBESXIAEBNDWQI-UHFFFAOYSA-N 321.417 4.060 0 40 DIAB Cc1cc(NCCCN)c2cccc(Sc3ccccc3)c2n1 222692505 FGSBFLAEDIICSC-UHFFFAOYSA-N 323.465 4.455 0 40 DIAB O=C(OC1CCCCCCC1)c1snnc1-c1ccccc1 223831923 BQYVLGMOWAIIDH-UHFFFAOYSA-N 316.426 4.475 0 40 DIAB Cc1cccc(Nc2ccc(NC(=S)NC(C)(C)C)cn2)c1 223883608 YTKUBDYTJNFWAN-UHFFFAOYSA-N 314.458 4.219 0 40 DIAB CC(C)CC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352032 ZWUKZZLDMKVFBH-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)c1 504577052 GBQXTXMUNZKESR-CEXWTWQISA-N 323.392 4.293 0 40 DIAB CC(F)(F)COP(OCC(C)(F)F)OCC(C)(F)F 1083812472 GKNRLKMZHAQTKI-UHFFFAOYSA-N 316.178 4.229 0 40 DIAB Cc1nc(Nc2ccc(OC(F)F)cc2)cc(C(F)F)n1 1888882223 UPKLONQJJDMCCQ-UHFFFAOYSA-N 301.243 4.068 0 40 DIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 50152 LCHNQDFKEPFHAS-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB CC(C)(C)c1cc(NC(=O)c2csc3ccccc23)no1 205265 OFMGNMIHBOCNPW-UHFFFAOYSA-N 300.383 4.439 0 40 DIAB CCCC[C@H](CC)C(=O)N1CCN(c2cccc(Cl)c2)CC1 2750153 PDYJEIDEPSKHKB-HNNXBMFYSA-N 322.880 4.205 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1cc(C)nc2ccccc12 3358059 VVYBQKJECYPDRP-AWEZNQCLSA-N 320.392 4.043 0 40 DIAB Cc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 3469758 PGOLDYUZTIUVRM-CYBMUJFWSA-N 321.471 4.251 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4025017 KCZCIYZKSLLNNH-OZKLVWMQSA-N 322.876 4.446 0 40 DIAB biogenic O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 4889006 BVGGWCRUBXXKQZ-GOSISDBHSA-N 316.360 4.271 0 40 DIAB Cc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 5015257 DPPNQKLATGPTEZ-UHFFFAOYSA-N 300.471 4.250 0 40 DIAB O=C(COc1ccccc1F)Nc1cc(Cl)ccc1Cl 6152139 PMMNQLOJWMBWAQ-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 6287923 LZNXPAQJKGFWEQ-JTQLQIEISA-N 311.278 4.336 0 40 DIAB CC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C 8586554 YCJWHDPRRFLKPU-UHFFFAOYSA-N 300.745 4.415 0 40 DIAB C[C@H]1CCC[C@]2(C1)NC(=S)c1c(sc3c1CCCC3)N2 8670508 ZTOTWGKXKZHRDV-QFYYESIMSA-N 306.500 4.224 0 40 DIAB aggregator C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 8729006 JDUMRWVYRLTFMV-MRVPVSSYSA-N 313.159 4.019 0 40 DIAB O=C(CSc1nccn1C1CC1)Nc1cccc2ccccc12 11891323 DBUJRGCSLWKTEI-UHFFFAOYSA-N 323.421 4.102 0 40 DIAB COc1ccccc1CCC(=O)Nc1cccc2c1CCCC2 15302389 UJOGGFBZVQCUNM-UHFFFAOYSA-N 309.409 4.145 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1cccnc1 22421215 ZXMJKLYXUJGJNC-AWEZNQCLSA-N 324.409 4.060 0 40 DIAB Cc1cc(C)cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c1 23331048 WIJWAGKWJQTCDB-UHFFFAOYSA-N 305.381 4.116 0 40 DIAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1cccs1 23786439 DJUIWEUQCBOACM-GFCCVEGCSA-N 303.452 4.276 0 40 DIAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2ccccc2c1 24570686 DBCFTKQJOQDNRB-UHFFFAOYSA-N 313.360 4.278 0 40 DIAB Cc1cn2nc(Oc3cc(Cl)cc(Cl)c3)sc2n1 24829800 IVXXUJHUSCZDSU-UHFFFAOYSA-N 300.170 4.198 0 40 DIAB COc1ccc(-c2ccnc3c(-c4ccccc4)cnn23)cc1 34303270 VVCLLLWNLRBYRA-UHFFFAOYSA-N 301.349 4.072 0 40 DIAB CC(C)Oc1cccc([C@H](C)NC(=O)CCc2ccsc2)c1 40107193 MMMVCJLAEZPAHO-AWEZNQCLSA-N 317.454 4.345 0 40 DIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C)cc2)n1 61108582 SFRYZYKWFUGKPL-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB Cc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1Cl 70461409 VWOOWOHKLNOAQP-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB Cc1cccc(C)c1NC(=O)Cc1cccc(Br)c1 72068433 MYGDSUJZUQGQNV-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CC(C)CNc1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72213311 PDPYBNPLAMKHQB-HNNXBMFYSA-N 319.449 4.222 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(-c2ccco2)o1 72243267 UTEZIYMYNDVBSH-UHFFFAOYSA-N 313.357 4.186 0 40 DIAB Cc1csc([C@H](C)NC(=O)N[C@H](C)c2cc(C)sc2C)n1 75969983 NGFZVSAFKVUUQM-MNOVXSKESA-N 323.487 4.251 0 40 DIAB CCCCCc1cn(-c2ccc(Cl)cc2)nc1C(=O)OCC 85210494 IXDWLEOTVAZJJG-UHFFFAOYSA-N 320.820 4.435 0 40 DIAB COc1c(C)cc([C@H](O)c2cccc(Br)c2)cc1C 95730213 UVMAVRJJRWDGRS-OAHLLOKOSA-N 321.214 4.156 0 40 DIAB CC[C@@H](C(=O)OC)N1c2cc(C)c(C)cc2C(C)=CC1(C)C 223199637 GJQXVEFKMLVVEN-INIZCTEOSA-N 301.430 4.257 0 40 DIAB CCCC[C@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223224882 UGHPNAXRUVEIHY-XJKSGUPXSA-N 319.445 4.431 0 40 DIAB C[C@@H](NC(=O)Cc1cccs1)c1ccc(C(C)(C)C)cc1 224522136 XTGZUBODQSCGIL-CYBMUJFWSA-N 301.455 4.466 0 40 DIAB Cc1cc(C)c(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c(C)c1 225137062 RUUSRNCQYXRLRW-IBGZPJMESA-N 312.409 4.303 0 40 DIAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@H](C)C1 225712860 AYPDKVBSXQFSAW-KXBFYZLASA-N 319.445 4.398 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C)c(C)c2)cc1 225773722 GCJOJYFNYDPBDA-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB CCN(c1ccccc1Sc1ccccc1)[C@H](C)C(=O)O 260679449 NKJRBQNGBBZVIQ-CYBMUJFWSA-N 301.411 4.137 0 40 DIAB CO[C@H]1CCN(C2CCCCC2)C[C@H]1Cc1ccccc1F 1615136771 LJBRGMDTCAJYKI-APWZRJJASA-N 305.437 4.038 0 40 DIAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 222837 FMLDXYVQALNHEZ-SJORKVTESA-N 324.815 4.386 0 40 DIAB O=C1c2ccsc2SCCN1Cc1ccccc1Cl 1403643 GZQJVVWHCKCZHG-UHFFFAOYSA-N 309.843 4.150 0 40 DIAB C[C@H]1CCCN(P(c2ccccc2)N2CCC[C@H](C)C2)C1 1737479 RTEVWEPQWAUGNR-IRXDYDNUSA-N 304.418 4.088 0 40 DIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1F 3326425 ZSAWJIIUOQFIAX-UHFFFAOYSA-N 321.417 4.232 0 40 DIAB O=C(CC1CCCC1)Nc1nc(-c2ccc(F)cc2)cs1 3483545 NCKOSKFQQINFKZ-UHFFFAOYSA-N 304.390 4.468 0 40 DIAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c1 3494306 OROGSOZTDAYVJV-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCC[C@@H](C)C3)c2cc1C(C)C 3564910 KTQGQNMNTFOSRE-CQSZACIVSA-N 313.441 4.457 0 40 DIAB CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)CSC2 3912429 OXCWLUXVGJZFOT-UHFFFAOYSA-N 321.490 4.294 0 40 DIAB CC1=C([C@@H](C)O)CC[C@H]2[C@@H]1C[C@@H]1[C@@H]2CC[C@H]2C[C@@H](O)CC[C@@]21C 4744208 YSSGDUVIZMUPCF-MWCBKZDBSA-N 318.501 4.307 0 40 DIAB Cc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 5578621 UOVAOADRDRKAMB-UHFFFAOYSA-N 308.208 4.161 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c1 6811347 IUCDRIUCWDUCGA-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB COc1ccc([C@@H](NC(=O)C2CCCCC2)c2ccccc2)cc1 6995301 OMKLUPBTTCWSSM-FQEVSTJZSA-N 323.436 4.481 0 40 DIAB O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)C1CC1 7909691 QRQOGVKXYKHPJZ-UHFFFAOYSA-N 302.377 4.040 0 40 DIAB O=C(COc1ccc2ccccc2c1)N1CC[C@H]2CCCC[C@@H]2C1 8162001 SVBVXWSXHIQBCG-IEBWSBKVSA-N 323.436 4.257 0 40 DIAB Cc1ccc(SCC(=O)Nc2ccc3ncsc3c2)cc1 10217348 KRQILOUIKBTMRL-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB O=C(NC1CCCCCC1)N[C@@H]1CCSc2c(F)cccc21 10409647 KCKMVHWNAFMHQB-OAHLLOKOSA-N 322.449 4.385 0 40 DIAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)o1 13008177 DDKYUEZMEPXDAL-UHFFFAOYSA-N 305.639 4.084 0 40 DIAB COc1cc2c(cc1NC(=O)CC(F)(F)F)oc1ccccc12 13020525 XMURDCNVDKYIKS-UHFFFAOYSA-N 323.270 4.486 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1cc(Cl)ccc1Cl 14903654 HKUQXQOQOLGHMP-HNNXBMFYSA-N 306.192 4.411 0 40 DIAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)c1ccccn1 15669838 XGYDUGAJIFOECD-UHFFFAOYSA-N 312.756 4.175 0 40 DIAB C[C@H]1CCCN(P(c2ccccc2)N2CCC[C@@H](C)C2)C1 17023703 RTEVWEPQWAUGNR-QRTHJKPMSA-N 304.418 4.088 0 40 DIAB CCOC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 20136192 SEXDOYOFAFZXDQ-UHFFFAOYSA-N 301.729 4.325 0 40 DIAB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1 22529554 XAIFDHCGKJARLR-GOSISDBHSA-N 313.466 4.496 0 40 DIAB Cc1ccc(-n2ccnc2S[C@H]2CCCCC2=O)c(C)c1 26035259 CDNILZYATPUODO-INIZCTEOSA-N 300.427 4.093 0 40 DIAB Cc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 26688314 ILPJUUDRUCCRFC-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB O=C(CSC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 27825078 FEXSNSGXUHWVMR-UHFFFAOYSA-N 320.801 4.244 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(F)c1 30752906 JXXJATLRWNNGCN-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C)cc(C)c1 30869454 JNJFBTVNRROLGT-GOSISDBHSA-N 313.397 4.108 0 40 DIAB Cc1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 31107457 ICSOLBOMKZLSOF-UHFFFAOYSA-N 315.416 4.443 0 40 DIAB COc1ccc(OCc2ccc(Cl)cc2Cl)c(CO)c1 37093982 FQLWUMRQYKWFDG-UHFFFAOYSA-N 313.180 4.073 0 40 DIAB Cc1cccc(NC(=O)NCCSc2ccccc2)c1C 40095306 WCMQYPHRLWXMGY-UHFFFAOYSA-N 300.427 4.217 0 40 DIAB c1cnn(-c2ccc(CN(Cc3ccsc3)C3CC3)cc2)c1 65683367 KLDKSLHPDJJOGF-UHFFFAOYSA-N 309.438 4.098 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1F 71760509 UVTVNJXSWWCKOR-UHFFFAOYSA-N 308.353 4.091 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1 113959631 BVFSTCGPKSFERH-MRXNPFEDSA-N 317.360 4.021 0 40 DIAB O=C(N[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1C(F)(F)F 195528618 MFSJUFSYVADZBZ-HCBXJVOMSA-N 323.358 4.260 0 40 DIAB CCc1nc2ccc(NC(=S)NCCC(C)C)cc2s1 225207830 OQQZGPLYGSWZLB-UHFFFAOYSA-N 307.488 4.191 0 40 DIAB CCCOc1ncc(NC(=O)[C@@](C)(CCC)OCCC)cc1C 225905972 LRGPXEQPJIRWKG-GOSISDBHSA-N 322.449 4.103 0 40 DIAB Fc1cccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)c1 226308188 WMBAZWPUJHTPFF-UHFFFAOYSA-N 321.400 4.438 0 40 DIAB Cc1c(NC(=O)c2ccccc2)cccc1-c1ccc(C(=O)O)o1 226355863 HMEVZMWEGCRDRT-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB O=C(c1cccc(F)c1C(F)(F)F)C(F)(F)Br 575359958 BBSRPTTYZLULAG-UHFFFAOYSA-N 321.014 4.015 0 40 DIAB Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=CC2 575626232 YXBOMELQHURSQJ-UHFFFAOYSA-N 307.784 4.217 0 40 DIAB CCOc1ccc(-c2csc(NC(=O)C=C(C)C)n2)cc1 145659 YJURJFUQYJYWPH-UHFFFAOYSA-N 302.399 4.114 0 40 DIAB COc1ccc(C(=O)Oc2cccc3ccccc23)cc1OC 363331 YZTJOINNJSTZCX-UHFFFAOYSA-N 308.333 4.076 0 40 DIAB O=C(CN1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1 411894 CESGXMOSNLYWMO-UHFFFAOYSA-N 324.424 4.293 0 40 DIAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccccn3)cs2)cc1 2653655 SPASKKFFTTZENE-MDZDMXLPSA-N 321.405 4.165 0 40 DIAB CC(C)(C)C1CCC(OC(=O)COc2ccccc2F)CC1 3310938 PDCGAGXGYRHPMG-UHFFFAOYSA-N 308.393 4.353 0 40 DIAB CN1C(=O)/C(=C\c2ccc(Br)s2)c2ccccc21 3617426 LWABRPSFMJIQOE-FLIBITNWSA-N 320.211 4.028 0 40 DIAB Cc1ccccc1OCCn1c([C@@H]2CCCO2)nc2ccccc21 4386865 RLQFODRUFQHPTH-IBGZPJMESA-N 322.408 4.275 0 40 DIAB Cc1c(C(=O)NCc2ccccc2F)oc2c(Cl)cccc12 5630611 MZWIFSSGUSFRCT-UHFFFAOYSA-N 317.747 4.464 0 40 DIAB CCCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2 8673577 NBWDZDRNMRZJFE-UHFFFAOYSA-N 316.426 4.063 0 40 DIAB O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1ccncc1 9979076 CEWXPPIJCKWQNW-GOSISDBHSA-N 321.355 4.132 0 40 DIAB C[C@@H](Nc1ncnc2sc3c(c12)CCCC3)c1ccccn1 12534543 JRSBNBRDMSBGHM-LLVKDONJSA-N 310.426 4.138 0 40 DIAB Cc1nc(-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)cs1 12798088 WKMUDEDXTJPECE-INIZCTEOSA-N 312.438 4.091 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1 14013201 XVHBMIFTGKUIHA-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB O=C(CSc1ccc2ccccc2c1)Nc1nccs1 14259024 NOTFDYZYUNDUQN-UHFFFAOYSA-N 300.408 4.027 0 40 DIAB O=C(Cc1cccc(F)c1)Nc1ccc(F)c(C(F)(F)F)c1 19935002 OHINRKIEFPUWKG-UHFFFAOYSA-N 315.241 4.165 0 40 DIAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)cc1 19957872 BEIYDKMKDJZYSU-KRWDZBQOSA-N 312.800 4.065 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20461747 DGEHQROFQXJWCZ-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB COc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 25056418 JEOLRMTZIDIMPN-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCC1 28084418 WVTRLTUEVWEFTF-UHFFFAOYSA-N 324.449 4.302 0 40 DIAB CCCCNC(=O)Nc1cnn(Cc2cccc3ccccc23)c1 28220910 GFPTXHUVXBTIMF-UHFFFAOYSA-N 322.412 4.006 0 40 DIAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(C)o1 32721745 BMMUMXYJGIKWFD-ZDUSSCGKSA-N 309.365 4.241 0 40 DIAB OC1=Nc2c(ncn2-c2ccc(F)cc2)[C@@H](c2cccs2)C1 36354979 PPHVUJRKOSHAJZ-GFCCVEGCSA-N 313.357 4.197 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(-n2cccc2)cc1)c1ccc(F)cc1 36390800 WMRGLTJXNQYBDW-OAHLLOKOSA-N 322.383 4.036 0 40 DIAB COCCCCN(Cc1ccccc1)C(=O)Nc1ccccc1 58005916 JNUFNOKPTBSNCD-UHFFFAOYSA-N 312.413 4.147 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)NC(C)(C)c1ccccc1 65407516 YAUOFHHHVFYDSL-UHFFFAOYSA-N 302.443 4.240 0 40 DIAB CCCCOC(=O)c1cc(N)c(N2CCC(C)CC2)c(Cl)c1 70462614 WZNPQXOZBZXJNN-UHFFFAOYSA-N 324.852 4.115 0 40 DIAB CCOc1ccc(N[C@@H](C)c2ccc(F)cc2F)cc1CO 71948204 KRAXAXIWVFRUNY-NSHDSACASA-N 307.340 4.029 0 40 DIAB CC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2F)c1 72282512 GLZJRANXWJQIJN-UHFFFAOYSA-N 321.739 4.082 0 40 DIAB Cc1nnc(CSCc2ccc(SC(F)F)cc2)o1 95965645 HLZQOQPPXSVCBU-UHFFFAOYSA-N 302.371 4.126 0 40 DIAB CCCN(CC)c1ccc(C(=O)Nc2ccc(O)cc2F)cc1 96004245 KNRGOGYXOWJRGI-UHFFFAOYSA-N 316.376 4.020 0 40 DIAB Cc1ccnc(Oc2cc(N[C@H](C)c3nnc(C)o3)ccc2C)c1 96437212 QWDRJRIZWRCZNI-CYBMUJFWSA-N 324.384 4.355 0 40 DIAB Cc1ccc(C2=C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 102230269 UXZQLGOSGFIEAS-QGZVFWFLSA-N 322.799 4.296 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)c1 102447042 KDXPRDVRXSGOII-COCVIAQXSA-N 315.457 4.093 0 40 DIAB FC(F)(F)COc1ccc(CBr)c(Cl)c1 168791595 LXYUNYSWWNGDQF-UHFFFAOYSA-N 303.505 4.176 0 40 DIAB CCNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 212690893 JXHRTJXFMDASIS-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB CCNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 212690986 JWHIBWXKYKZYDS-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB COC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2)c1 216895474 QXUWSFZMRUVINT-JXMROGBWSA-N 302.757 4.105 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)NC[C@H](C)c1ccccc1 223412220 WYFLVVAKKYTYAG-HOTGVXAUSA-N 313.466 4.228 0 40 DIAB CC(C)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 224325730 OMWIDDWQIUHQFA-UHFFFAOYSA-N 323.436 4.497 0 40 DIAB CCO[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135029 SLDBJCRUJWQRSL-INIZCTEOSA-N 320.772 4.165 0 40 DIAB O=C(Cc1cccc(Br)c1)NC1CCCCCCC1 225619600 QFLQSVCWTWPPFW-UHFFFAOYSA-N 324.262 4.221 0 40 DIAB Cc1ccc([C@H](NC(=S)Nc2cccnc2)C(C)C)c(C)c1 225766535 VIAUDJRZNMEHNY-QGZVFWFLSA-N 313.470 4.382 0 40 DIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(C(C)C)cc1)C2 409197511 HKRHSPWJAYEFPE-UHFFFAOYSA-N 322.452 4.381 0 40 DIAB OCc1cc(-c2cccs2)nc2cccc(Br)c12 685937010 GYJFPJPAVTUDQN-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB CCc1nc2ccccc2c(C(=O)Nc2ccccc2OC)c1C 411352 HPJQJIDXMXWWRL-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB Cn1c(S)cc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 536345 KDADYLBAGSYWPU-VIFPVBQESA-N 307.484 4.040 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c(Br)c1 1197829 GBPRVFZFHHLXPS-QJPTWQEYSA-N 308.219 4.132 0 40 DIAB S=C(Nc1ccccc1)c1nnsc1Nc1ccccc1 1416876 AOJSAMNMQAKSOI-UHFFFAOYSA-N 312.423 4.069 0 40 DIAB O=C(O)c1cccc(OCc2csc(-c3ccccc3)n2)c1 1482514 NVRNEVVCXPBLLR-UHFFFAOYSA-N 311.362 4.087 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CCC(=O)c1cccs1 3297520 UCBHOMJDYHTNAN-UHFFFAOYSA-N 307.802 4.312 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 3342741 HXEYSWDALXLMIF-UHFFFAOYSA-N 308.303 4.064 0 40 DIAB c1ccc(-c2ccccc2Oc2nnnn2-c2ccccc2)cc1 3429646 NVLPLUTUQOBPOC-UHFFFAOYSA-N 314.348 4.122 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCCC1 3566966 FLGYPVWAMBRAJU-ZDUSSCGKSA-N 309.837 4.336 0 40 DIAB O=C(C(=S)Nc1ccc(Br)cc1)c1ccccc1 3851153 UQNPYYCCBHCICM-UHFFFAOYSA-N 320.211 4.071 0 40 DIAB biogenic Cc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1 4356080 OHODLBAQKBIMGA-UHFFFAOYSA-N 320.417 4.427 0 40 DIAB Cc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 4815673 OLCWNTSEDGQQFX-UHFFFAOYSA-N 303.789 4.283 0 40 DIAB O=C1/C(=C\c2ccccn2)c2ccccc2N1Cc1ccccc1 5158812 JTIJCYLXTMNCNM-RGEXLXHISA-N 312.372 4.169 0 40 DIAB CCc1sc(C(=O)NCCc2ccc(Cl)cc2)cc1C 6647443 LWVBKDGZJZETOH-UHFFFAOYSA-N 307.846 4.245 0 40 DIAB CCc1ccc2c(CC(=O)Nc3cc(C)ccc3OC)coc2c1 6654332 SDTSGXXDRVLCCP-UHFFFAOYSA-N 323.392 4.493 0 40 DIAB O=C(NCc1ccccc1F)c1ccc(-c2ccccc2)cc1 6981741 AJCWIAUVZBRERX-UHFFFAOYSA-N 305.352 4.423 0 40 DIAB CC(C)c1ccccc1OC[C@H](O)CNC1CCCCCCC1 8236248 FUDGEJZLFQHFBC-GOSISDBHSA-N 319.489 4.252 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)cc1 9064348 KAQIEMQJCAAHFC-UHFFFAOYSA-N 312.413 4.102 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 12555401 FJXDURMNLJSLDJ-SJLPKXTDSA-N 308.425 4.130 0 40 DIAB COCCCNCC[C@@]1(CCC(C)C)CCO[C@H](C(C)C)C1 13655137 BUASARGVQPMCPF-OALUTQOASA-N 313.526 4.260 0 40 DIAB Cc1ccc(CSc2nnc(Cc3ccccc3)n2C)cc1 14091340 MHWFQAOUNDHLSE-UHFFFAOYSA-N 309.438 4.007 0 40 DIAB COc1cc2c(cc1CN[C@H](C)c1ccccc1C)O[C@H](C)C2 22777488 GAOSVTVSRXCOEZ-HUUCEWRRSA-N 311.425 4.178 0 40 DIAB COCc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 29143886 NXBDIUZAVZDWIJ-UHFFFAOYSA-N 321.829 4.217 0 40 DIAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccs2)on1 32878706 OEJQMOQDKDVSKG-UHFFFAOYSA-N 322.748 4.448 0 40 DIAB Cc1ccc(-c2ccc(CCC(=O)NCc3ccco3)o2)cc1C 33027739 WQBMHQLCTDBDIY-UHFFFAOYSA-N 323.392 4.405 0 40 DIAB O=C(c1ccc(Cl)s1)N1CCCc2c(F)cc(F)cc21 40090389 GAVULPNMQGVLLX-UHFFFAOYSA-N 313.756 4.273 0 40 DIAB CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1C 48342802 DWIRTIBBZUBGGW-UHFFFAOYSA-N 321.398 4.004 0 40 DIAB CC(C)c1nc(CSc2ncn(-c3ccccc3)n2)cs1 75875245 KSLYXXNMPWVXQQ-UHFFFAOYSA-N 316.455 4.140 0 40 DIAB CCCN(C(=O)c1sccc1C)[C@@H]1CCc2ccccc2C1 84750322 HBYLOHLDLHCWJH-QGZVFWFLSA-N 313.466 4.466 0 40 DIAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 85398411 SXEIUFZNXAFQEF-UHFFFAOYSA-N 314.772 4.450 0 40 DIAB CC(C)Sc1ccccc1NC(=O)NCCc1cscn1 96484137 LDVVOIRKKJCXED-UHFFFAOYSA-N 321.471 4.008 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc3cc(F)ccc3[nH]2)C1 101342648 OCEHOAORJKBIMH-IFXJQAMLSA-N 314.404 4.348 0 40 DIAB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223012231 ZJPPUFJAYNHHOZ-FQEVSTJZSA-N 323.436 4.455 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1ccccc1C(C)C 224561593 ASMJFSLIFJXSCD-UHFFFAOYSA-N 314.381 4.486 0 40 DIAB CCOc1ccc(C(N)=O)cc1CSc1ccc(Cl)cc1 224669421 LMGZFSGKJNMFSL-UHFFFAOYSA-N 321.829 4.130 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OC)c(C)c2)CCCCCC1 225659944 WDAWVGLRPFNFKH-UHFFFAOYSA-N 319.445 4.462 0 40 DIAB S=C(c1ccc(N2CCCC2)cc1)N1CCc2ccccc2C1 409206852 MKAGQJVHYLYPSC-UHFFFAOYSA-N 322.477 4.021 0 40 DIAB Cc1ccc(-c2[nH]c(C=O)nc2Br)c2ccccc12 1857794826 LXGFADLLBYUQQM-UHFFFAOYSA-N 315.170 4.113 0 40 DIAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 187417 UPGLWFILHFFSLF-UHFFFAOYSA-N 324.405 4.461 0 40 DIAB Cc1occc1C(=O)N(Cc1ccccc1)Cc1ccccc1 214520 RPLMULVYHVTVEN-UHFFFAOYSA-N 305.377 4.431 0 40 DIAB Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1 425619 MOBVKJTVOWDWEB-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB Cc1nc(Nc2cccc(O)c2)c2c3c(sc2n1)CCCC3 554965 FYAODBJJQGRMIW-UHFFFAOYSA-N 311.410 4.328 0 40 DIAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 3885018 WTCZJNWYQUOWKW-ZHACJKMWSA-N 307.374 4.481 0 40 DIAB COc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 4071252 MIHMGAATBIRYSL-UHFFFAOYSA-N 316.407 4.133 0 40 DIAB Cc1ccc(SCCC(=O)Nc2nc3c(s2)CCC3)cc1 4496517 CTUCKLNGOWOXQS-UHFFFAOYSA-N 318.467 4.061 0 40 DIAB COc1ccc(OC)c(Nc2nc(-c3ccc(C)o3)cs2)c1 4623330 HYJNULWHZKDGGP-UHFFFAOYSA-N 316.382 4.472 0 40 DIAB O[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1c1ccccc1 4825098 VYLAGGWLWLRSRY-NJTYFVPYSA-N 301.389 4.350 0 40 DIAB Cc1ccccc1-c1nnc(S)n1-c1ccc(Cl)cc1 4973843 PBWLMNRGDQESLY-UHFFFAOYSA-N 301.802 4.185 0 40 DIAB O=C(CCn1cnc2ccccc21)Nc1ccc2ccccc2c1 5355111 JGJANPVRIFQFTM-UHFFFAOYSA-N 315.376 4.218 0 40 DIAB C[C@@H](NC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1 6852972 SIYQECJNYRMVSG-AUUYWEPGSA-N 320.392 4.083 0 40 DIAB CN(Cc1ccccc1F)C(=O)Cc1cccc2ccccc12 7265744 IHJJERHXVJNNLA-UHFFFAOYSA-N 307.368 4.180 0 40 DIAB COc1ccc(CN(Cc2cc(-c3ccco3)on2)C2CC2)cc1 7662385 SXAZSQUJOQTTFT-UHFFFAOYSA-N 324.380 4.108 0 40 DIAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1C 8244246 VKSDKIKPBMBEFL-UHFFFAOYSA-N 310.422 4.185 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 9816917 BFYVQMZIDLGRFB-GFCCVEGCSA-N 319.788 4.145 0 40 DIAB O=C(CCSCc1ccccc1)N1CCCc2ccccc21 10613835 ZYGYKRHTRAGMBW-UHFFFAOYSA-N 311.450 4.289 0 40 DIAB O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)Nc2ccccc21 12521475 QJGJGHKMTLUMEO-QGZVFWFLSA-N 324.767 4.454 0 40 DIAB Cc1cccc(COc2cccc(C(=O)Nc3ccccn3)c2)c1 12537399 BRCOQPZLRIVUFM-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB Cc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 19773502 FVRHTJHNWXHLNW-UHFFFAOYSA-N 308.303 4.064 0 40 DIAB CCOC(=O)c1cc(NC(=O)C2CCCCC2)ccc1Cl 20108646 VAKCIRIMYVPIHT-UHFFFAOYSA-N 309.793 4.036 0 40 DIAB NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 20154528 UTKPLVXREPWCJD-UHFFFAOYSA-N 319.389 4.304 0 40 DIAB c1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222419 LMPRBSXCAMABJF-FQEVSTJZSA-N 317.436 4.099 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 29024609 GONHNFJSRSCCDB-UHFFFAOYSA-N 313.372 4.328 0 40 DIAB O=C(/C=C/c1ccco1)Nc1cccc(Cl)c1N1CCCC1 33666350 VPZTUCUKPJVGQC-CMDGGOBGSA-N 316.788 4.185 0 40 DIAB C[C@@H](NCc1nccn1C(F)F)c1ccc(Cl)cc1Cl 36804912 FKTATMAPNZKEJQ-MRVPVSSYSA-N 320.170 4.436 0 40 DIAB Cc1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1C 40525352 SDHWUUXIOYOUBO-LBPRGKRZSA-N 300.324 4.110 0 40 DIAB c1ccc2c(NC3CCCCC3)nc(N3CCCCC3)nc2c1 41152760 OMNHYGQRSLRIMK-UHFFFAOYSA-N 310.445 4.365 0 40 DIAB O=C(O)c1sc2ccc(C(F)(F)F)cc2c1-n1cccc1 44676337 IAMCYQRQUVLIDU-UHFFFAOYSA-N 311.284 4.409 0 40 DIAB Cc1nc(SC(=O)NC2CCCCC2)nc2ccccc12 59431824 HLBGHDPHBXSYDA-UHFFFAOYSA-N 301.415 4.073 0 40 DIAB Cc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2c2nccs2)c1 72292355 XZUMOBQDWNPTEG-ZBFHGGJFSA-N 314.454 4.309 0 40 DIAB Cn1ccc2c(NC(=O)CCn3ccc4ccccc43)cccc21 72324730 YSJLIVSHHPYQRY-UHFFFAOYSA-N 317.392 4.162 0 40 DIAB biogenic CCN(CC)C[C@H]1c2ccccc2[C@H](CNc2ccccc2)N1C 73386758 BFTKLTXWDUKHIE-SFTDATJTSA-N 323.484 4.168 0 40 DIAB Cc1nn(C)c(C)c1C(=O)Nc1ccccc1Oc1ccccc1 74667922 VHLBZCOQMJIOEX-UHFFFAOYSA-N 321.380 4.082 0 40 DIAB CC(C)Cn1c(COC(=O)Nc2ccccc2)nc2ccccc21 76556488 NAUZHKTTZIPYJW-UHFFFAOYSA-N 323.396 4.441 0 40 DIAB CC(C)[C@@H]1SCC(O)=Nc2c1cnn2-c1ccc(F)cc1 79494032 IUFFEIMDMZMMFZ-AWEZNQCLSA-N 305.378 4.043 0 40 DIAB FC(F)(F)Sc1ccc(NCc2nnc(C3CC3)o2)cc1 86200893 DBPPRPSSNNFMLO-UHFFFAOYSA-N 315.320 4.171 0 40 DIAB CCc1ccc([C@@H]2CCCN2C(=O)CCc2ccsc2)o1 96409938 WABQQSIPNJRYKL-HNNXBMFYSA-N 303.427 4.200 0 40 DIAB C[C@H](CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccsc1 96478897 QOBIWRZHAAGKPX-BXUZGUMPSA-N 314.376 4.010 0 40 DIAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@H]1C[C@@H]2CC[C@@H]1C2 102292384 HGRAYTWTPLWEEQ-KQEPKPNTSA-N 307.437 4.323 0 40 DIAB S=c1nc(NCCc2c[nH]c3ccccc23)c2ccccc2[nH]1 140046697 RRDWOJCLEXWROU-UHFFFAOYSA-N 320.421 4.428 0 40 DIAB CCCC(CCC)OC(=O)c1snnc1-c1cccs1 223845924 IBMKCUXMOPYHIO-UHFFFAOYSA-N 310.444 4.392 0 40 DIAB Cc1ccc(C[C@@H](Sc2ccccc2)C(=O)O)cc1Cl 225080890 LIHPTTYLHHTEGP-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB Cc1cc(C)cc(NC(=S)NCCCc2ccc(F)cc2)c1 225546130 ROLWXQVWLCXDKQ-UHFFFAOYSA-N 316.445 4.362 0 40 DIAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 225872591 PVPQPBYSOPFOFP-HXUWFJFHSA-N 323.436 4.212 0 40 DIAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](F)C1 576952202 VUSIUWVAFRLMCA-NSHDSACASA-N 307.752 4.174 0 40 DIAB CC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 267992 MADSTIMKHBTMDS-AUUYWEPGSA-N 323.392 4.038 0 40 DIAB CC(C)CN1C(=O)N(c2ccc(Cl)cc2)[C@](C)(O)CC1(C)C 494747 CKUIPRQKFQVWNC-QGZVFWFLSA-N 324.852 4.115 0 40 DIAB Cc1cc(C)c2nc(C)cc(C(=O)N[C@H]3CCCC[C@H]3C)c2c1 920311 FXYHQLKBLFSUQI-ACJLOTCBSA-N 310.441 4.469 0 40 DIAB Cc1cc(-c2noc(-c3ccc(F)cc3)n2)c2ccccc2n1 1423711 IGVFAENQBFYCHJ-UHFFFAOYSA-N 305.312 4.399 0 40 DIAB O=C(CCSc1ccccc1)NCCSc1ccccc1 3104385 IMBYOJGYIGVRRL-UHFFFAOYSA-N 317.479 4.077 0 40 DIAB CC(C)C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 3229826 PTCYPEFCAUHCQV-UHFFFAOYSA-N 312.341 4.006 0 40 DIAB CC(=O)c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 3279366 OMBIEDXDDUIFSB-UHFFFAOYSA-N 310.683 4.040 0 40 DIAB c1ccc(-c2nc(-n3nnc4ccccc43)c3ccccc3n2)cc1 3339408 BFOGBUXLNOKFAD-UHFFFAOYSA-N 323.359 4.031 0 40 DIAB CCCc1ccc(C(=O)NCc2ccccc2-n2cccc2)cc1 4054800 SQSQFDRQGOWPMX-UHFFFAOYSA-N 318.420 4.360 0 40 DIAB O=C(c1ccc(N2CCCCC2)cc1)N1CCCc2ccccc21 7504537 DQEAMUOSXAQUAI-UHFFFAOYSA-N 320.436 4.270 0 40 DIAB Cc1nc(COc2ccc(C(=O)Nc3ccccc3)cc2)cs1 7917999 ISYOAOFCKYQNGJ-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB CC(C)c1cccc(NC(=O)c2cncc(Br)c2)c1 8157839 LDEFJNFNMUVWIF-UHFFFAOYSA-N 319.202 4.220 0 40 DIAB c1ccc2sc(C3CCN(CCc4ccncc4)CC3)nc2c1 8165369 SITSLVOCTJXPLK-UHFFFAOYSA-N 323.465 4.113 0 40 DIAB Brc1ccc(-c2csc3[n+]2CCCCC3)cc1 12558443 PMXQYLZSJZTRDF-UHFFFAOYSA-N 309.252 4.192 0 40 DIAB Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(F)cc2)no1 15298823 WNDMJBDTIZLLPQ-UHFFFAOYSA-N 323.371 4.137 0 40 DIAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(C)cc1 18083973 MZRYUWNMHYHEBQ-UHFFFAOYSA-N 319.404 4.429 0 40 DIAB COc1ccccc1-c1nc(Cl)n(-c2ccc(Cl)cc2)n1 22125360 MNUJJZMHPBMRAP-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB Cc1cc2cc(NC(=O)[C@@H](C)OCc3ccccc3)ccc2[nH]1 25129271 MNWJFWNJUXFGQZ-CQSZACIVSA-N 308.381 4.020 0 40 DIAB COc1ccc2nc(C)c(C(=O)N[C@H](C)c3ccccc3)cc2c1 25765115 YHZWMWZCNOEIEW-CYBMUJFWSA-N 320.392 4.043 0 40 DIAB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1ccco1 25798292 PTWMMIAHFULVAY-UHFFFAOYSA-N 318.376 4.095 0 40 DIAB COc1ccc(C(=O)c2ccc(Cl)cc2Cl)c(OC)c1 40930018 IFUIWVUKKXMRHQ-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1nc(-c2cc(C(=O)NCc3cccs3)cs2)cs1 55112255 CZYJCFBMMGDISM-UHFFFAOYSA-N 320.464 4.172 0 40 DIAB COc1cccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)c1 71288071 WPAAMJZVTAQTJU-AWEZNQCLSA-N 317.414 4.064 0 40 DIAB CSc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72216969 XPIPGDFAEHZSQZ-CYBMUJFWSA-N 308.447 4.266 0 40 DIAB Cc1nc(NCc2ccccc2)ccc1[C@H](N)c1ccccc1 72224420 ZBJXICCBSBFANG-HXUWFJFHSA-N 303.409 4.050 0 40 DIAB COCCCN(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 95455993 YXLKPRSFIFOBIH-INIZCTEOSA-N 323.440 4.055 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)C1CCCC1 216393892 BMOMQHSZDJXCKB-SFHVURJKSA-N 311.425 4.398 0 40 DIAB CCOP(=O)(OCC)O[C@@H](c1ccc(F)cc1)C(F)F 222063980 FQKRJJOWTIARCK-NSHDSACASA-N 312.224 4.330 0 40 DIAB CCc1ccc(CC(=O)N(C)Cc2ccc(Cl)cc2)cc1 223881778 IZYAUNANMRTZMF-UHFFFAOYSA-N 301.817 4.104 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(OC)cc1 224156908 DIPOILYUUOYIDQ-MAUKXSAKSA-N 321.461 4.185 0 40 DIAB CCCOC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496258 XRHUVWCRWAWWOV-UHFFFAOYSA-N 304.434 4.360 0 40 DIAB S=C(NCCC1=CCCCC1)Nc1ccc2conc2c1 409198676 JMYBCZNCIGRSSL-UHFFFAOYSA-N 301.415 4.005 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 575360332 CYJCFYPEKIKVFM-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 2492881 OXMUJJPXNUBXPP-VFZGTOFNSA-N 316.401 4.441 0 40 DIAB Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 3100565 QIXOBPHQXYDPAS-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1ccc(-c2cc(C)n3nc(-c4ccccc4)nc3n2)cc1 3339689 FZTYIMCBIKRPCN-UHFFFAOYSA-N 300.365 4.075 0 40 DIAB CSc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 4517480 JWKZSDDNBJOEKN-SNVBAGLBSA-N 318.467 4.242 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4575810 QQKCCOMZCCBHSY-UHFFFAOYSA-N 313.485 4.288 0 40 DIAB O=C(c1nc(-c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 5775870 XYYMARQHLYDTOU-UHFFFAOYSA-N 308.381 4.136 0 40 DIAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NC1CC1 6083154 UPOXWEDIQXGRJL-UHFFFAOYSA-N 307.821 4.045 0 40 DIAB CCOc1ccc(-c2nc(CN3CCCCC3)cs2)cc1 6553121 PWXNRUYPZHYKAO-UHFFFAOYSA-N 302.443 4.195 0 40 DIAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(F)cc(F)c1 6784364 KGOCHCFEODXTIN-UHFFFAOYSA-N 316.134 4.202 0 40 DIAB Oc1ccc(COc2cccc3cccnc23)c2cccnc12 6934438 LKNNKCREXKLVDD-UHFFFAOYSA-N 302.333 4.068 0 40 DIAB Cc1nsc(-c2ccc(Sc3ccc(Cl)cc3)nn2)n1 9498996 YDWKSHSQHQYJTI-UHFFFAOYSA-N 320.830 4.108 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1C(F)(F)F 11899233 YKKBAAWLZHAZIO-UHFFFAOYSA-N 319.326 4.167 0 40 DIAB CCC[C@H](NC(=O)c1csc(C(C)=O)c1)c1cccs1 12200206 RXCIQRYYYMPPQI-LBPRGKRZSA-N 307.440 4.283 0 40 DIAB Cc1ccccc1NC(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 12674851 YPENNPBZNWFSLJ-HNAYVOBHSA-N 308.425 4.063 0 40 DIAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc(C)c2C)c1 18013697 GKAIOFBHVIYMHN-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CC(C)N1CCC(N(C)CC2(c3ccc(Cl)cc3)CC2)CC1 19447834 CKHLHPSSUJZHOW-UHFFFAOYSA-N 320.908 4.176 0 40 DIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C)c1 20482036 XXPHRONFVVLXHC-INIZCTEOSA-N 317.816 4.122 0 40 DIAB COc1cccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)c1 21579189 HLUPGYYHHXWCSQ-UHFFFAOYSA-N 324.380 4.488 0 40 DIAB CN(CCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 22197568 VECCWQNTKAJQAK-UHFFFAOYSA-N 312.816 4.072 0 40 DIAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1F 22874339 KKQGNDYOIRWUAM-UHFFFAOYSA-N 314.143 4.393 0 40 DIAB CC[C@@H](C(=O)Nc1cccc(Cn2ccnc2)c1)c1ccccc1 25177989 VLFSHHXSGNPSML-LJQANCHMSA-N 319.408 4.064 0 40 DIAB Cc1ccc([C@@H]2CCCN2c2nccc(C(F)(F)F)n2)cc1 29525744 UVPCVWVRMXFHET-ZDUSSCGKSA-N 307.319 4.145 0 40 DIAB CN(C(=O)CSCc1ccccc1)[C@H]1CCc2ccccc21 32905623 GZVAVKBWMDJNGU-SFHVURJKSA-N 311.450 4.066 0 40 DIAB Cc1ccc2c(CN[C@@H](C)c3ccccc3F)cc(=O)oc2c1 33040109 OKCDPFUJHGPYNF-ZDUSSCGKSA-N 311.356 4.091 0 40 DIAB CCC[C@H](C)NC(=O)c1cc(Br)ccc1Cl 37974642 PHTDNJGLXUWBLC-QMMMGPOBSA-N 304.615 4.021 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H]2c2ccncc2)o1 42796632 IVHMECNKSYWAPK-ZTFGCOKTSA-N 324.424 4.094 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)c1cncc2ccccc12 45028876 CDOLJEHVUYWNPW-UHFFFAOYSA-N 301.267 4.485 0 40 DIAB CCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 51540210 FIVNQEMFSFYVEZ-SFHVURJKSA-N 317.454 4.123 0 40 DIAB CCC[C@@H]1CCCN(C(=O)c2csc(CC(C)C)n2)CC1 61295935 VYDSMNUKBRGBHE-CQSZACIVSA-N 308.491 4.384 0 40 DIAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc2[nH]ccc12 65479045 QAUAVENHQCYQQO-UHFFFAOYSA-N 323.377 4.066 0 40 DIAB CC(C)(C)OC(=O)N1CCC(Sc2ccc(F)cc2)CC1 72203980 GURVJFJMSLFRIL-UHFFFAOYSA-N 311.422 4.317 0 40 DIAB CC(=O)Nc1cccc([C@H](C)NC[C@@H](C)c2cccs2)c1 95422755 DKQYXICNERAQJL-OLZOCXBDSA-N 302.443 4.161 0 40 DIAB O=C1NCC[C@@H]1S[C@H](c1ccccc1)c1ccc(Cl)cc1 95971777 WGALHKDXVVZRPS-JKSUJKDBSA-N 317.841 4.051 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 225389846 IWUYIRWJGSGXCZ-UHFFFAOYSA-N 301.361 4.429 0 40 DIAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 225632441 RLFMTOMQCPUVGD-MRXNPFEDSA-N 323.436 4.071 0 40 DIAB O=C(O)c1cc(Cl)c(Cl)c(NC(=O)C2CCCCC2)c1 226354400 DQEQXTSZONJHOX-UHFFFAOYSA-N 316.184 4.210 0 40 DIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251055197 TWZWHAWDMUHRRH-LDDOYCOJSA-N 315.457 4.056 0 40 DIAB Cc1ccc(CN(C)C(=O)N[C@H](c2ccccc2)c2ccco2)o1 252489244 JMIPAIQZQHYSHB-GOSISDBHSA-N 324.380 4.112 0 40 DIAB OCc1cc(-c2cccs2)nc2cc(C(F)(F)F)ccc12 685937412 OYQFSSIGGRVXJM-UHFFFAOYSA-N 309.312 4.474 0 40 DIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1 516102 VAIWAVWHUPNMKM-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB COc1ccc(/C(Cl)=C/c2cc(OC)ccc2OC)cc1 1634946 LNPPLMDIUJGMKI-WJDWOHSUSA-N 304.773 4.449 0 40 DIAB COc1ccc(CSc2nnc(-c3cccs3)o2)cc1F 2622774 APZHGYZATVTUCK-UHFFFAOYSA-N 322.386 4.238 0 40 DIAB COc1ccc(COC(=O)N/C=C/c2ccc(Cl)cc2)cc1 3105669 LUMVQUIHPPRABE-ZHACJKMWSA-N 317.772 4.246 0 40 DIAB COc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 3601606 JKBKPRBPELKQGA-UHFFFAOYSA-N 313.397 4.010 0 40 DIAB CCC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 4023092 XPZHHBKQVGOLSX-VBKZILBWSA-N 310.441 4.368 0 40 DIAB biogenic Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2[nH]1 4138130 HKXUVLQFJSJYCY-UHFFFAOYSA-N 304.349 4.153 0 40 DIAB COc1ccc(-c2n[nH]c(SCc3ccc(C)cc3)n2)cc1 6141532 OYOLCVUYZUKISB-UHFFFAOYSA-N 311.410 4.081 0 40 DIAB C[C@@H](NC(=O)c1ccccc1Br)c1cccs1 6220421 OYWFDBSOKNOZKF-SECBINFHSA-N 310.216 4.002 0 40 DIAB CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 6587587 IGTIGUCMIJJLCG-WNLSLORLSA-N 310.441 4.412 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 6900944 VCAAUMLCWKMYET-WKZUOKLVSA-N 311.347 4.414 0 40 DIAB CCN(CC)C(=O)c1cc(Cl)ccc1OCc1ccccc1 7687449 DQPLNSMDYITCNM-UHFFFAOYSA-N 317.816 4.401 0 40 DIAB CC(C)c1ccc(NC(=O)CN(C)Cc2cccc(F)c2)cc1 7791622 OPQWQGFJUAMEHL-UHFFFAOYSA-N 314.404 4.020 0 40 DIAB Cc1cc2nc(-c3cc4cccc(C)c4oc3=O)[nH]c2cc1C 8022038 BNARWXRQLRMBHF-UHFFFAOYSA-N 304.349 4.262 0 40 DIAB CCN(CC)C(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 9477256 TWVOXAGMWQNBSO-UHFFFAOYSA-N 315.438 4.004 0 40 DIAB Cc1ccc2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 9514496 YWQBYFQELBPOOG-UHFFFAOYSA-N 314.435 4.407 0 40 DIAB Cc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1 12762177 WQNQIPSXKNXALR-UHFFFAOYSA-N 316.404 4.295 0 40 DIAB c1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2CCC3)cc1 13129941 CVDIZNCRWXCQSX-LJQANCHMSA-N 314.392 4.041 0 40 DIAB CC(C)(C)c1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1 14134855 WLQRZGIUWCKHRR-UHFFFAOYSA-N 324.211 4.333 0 40 DIAB CCOc1cc2ccccc2cc1C(=O)Nc1cccc(OC)c1 14181532 XGICNXCKHQKZJX-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB Cc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c2ccccc2n1 14186756 ZKUSXTRSALNNGP-DNVCBOLYSA-N 308.425 4.338 0 40 DIAB CCc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 14244505 KKVBJQYJJROCMR-INIZCTEOSA-N 315.413 4.355 0 40 DIAB O=C(CCc1ccc2c(c1)OCO2)Oc1cccc2ccccc12 14701869 SHMOWZGPGRFNBO-UHFFFAOYSA-N 320.344 4.107 0 40 DIAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1Cc1ccccc1 16952854 UBYJCOQOPFVSFQ-VXVSGHKGSA-N 313.400 4.495 0 40 DIAB Cc1cc(N(C)C)ccc1NC(=O)CCCc1cccs1 40106881 LBAGSSRFYNLANT-UHFFFAOYSA-N 302.443 4.084 0 40 DIAB Cc1nnc([C@H]2Cc3ccccc3CN2CC2CCCCC2)o1 58430114 WSDNHGMORNAWPA-GOSISDBHSA-N 311.429 4.058 0 40 DIAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 60571735 PCZFBYMTLNGOHG-UHFFFAOYSA-N 309.148 4.033 0 40 DIAB Cc1nc(C(=O)Nc2cccc3c2ccn3C)c(C(C)C)s1 72402169 QAWVBMFMWYLSIB-UHFFFAOYSA-N 313.426 4.319 0 40 DIAB CCCN(C(=O)c1sccc1C)[C@H]1CCc2ccccc2C1 84750324 HBYLOHLDLHCWJH-KRWDZBQOSA-N 313.466 4.466 0 40 DIAB Brc1ccc(NCc2csc(C3CCC3)n2)nc1 95093892 KWMYXVIBPCEVAY-UHFFFAOYSA-N 324.247 4.180 0 40 DIAB COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1Cl 96726973 BLABPTZJXVQMCJ-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB Cc1nc(-c2ccccc2)sc1NC(=O)c1scnc1C 97086103 VBLJOHMWAWLWQZ-UHFFFAOYSA-N 315.423 4.136 0 40 DIAB N#Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 107765438 NOKAZIAEWVCYQJ-UHFFFAOYSA-N 322.147 4.142 0 40 DIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCC1 225097330 HYJKXEFHVCIWMT-IBGZPJMESA-N 315.457 4.172 0 40 DIAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225508723 SVVIASZTJINZOG-UHFFFAOYSA-N 309.409 4.454 0 40 DIAB COc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861160 PUJBKRKRSPWSNJ-UHFFFAOYSA-N 324.424 4.158 0 40 DIAB CC(C)COc1ccc(NC(=O)C(C)(C)C)c2cccnc12 225880114 SWPJWFLFQSDJFI-UHFFFAOYSA-N 300.402 4.254 0 40 DIAB O=C(CSc1c[nH]c2ccccc12)N1CCCc2ccccc21 425895 CVHOOZBCWQYELD-UHFFFAOYSA-N 322.433 4.239 0 40 DIAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CC=CC1 2515900 CCTUAVNYKHZUFE-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1 2628753 SMENTHWNORLECO-UHFFFAOYSA-N 311.410 4.192 0 40 DIAB COc1ccccc1C(=O)CSCc1ccc(Cl)cc1 3265004 UBBZDKHLDRBZJM-UHFFFAOYSA-N 306.814 4.465 0 40 DIAB CC(=O)c1c(C)[nH]c(-c2csc(NCc3ccco3)n2)c1C 3547698 ZTKBEGMMRCMUKM-UHFFFAOYSA-N 315.398 4.163 0 40 DIAB COc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1OC 3850629 SHSNTGYNOQICGN-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB biogenic CCCCCCSc1nnc2c3ccccc3n(C)c2n1 5127932 GKLZWKSQGMJIAQ-UHFFFAOYSA-N 300.431 4.189 0 40 DIAB FC(F)(F)c1ccc(CCNc2ncnc3ccccc23)cc1 6117746 NQDHLDRPCOXXAZ-UHFFFAOYSA-N 317.314 4.303 0 40 DIAB Cc1cc(NC(=O)Cc2cccc(F)c2)ccc1Br 7968997 JVVHZUHEZLTNSA-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB Cc1ccc(CC(=O)NCc2ccc(Cl)cc2Cl)cc1 8061127 HQBFHJWYFDTFSK-UHFFFAOYSA-N 308.208 4.161 0 40 DIAB CC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(OC)cc1 8735124 WXTJBYMIJNATDD-QGZVFWFLSA-N 320.392 4.125 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2s1 11750311 SRNJJFAXSCPHKK-UHFFFAOYSA-N 307.418 4.363 0 40 DIAB CC(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)cs1 12200581 ROAVFKRPRQFOFF-CQSZACIVSA-N 307.440 4.139 0 40 DIAB CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 14205973 FEINBLWLDQEYOA-UHFFFAOYSA-N 311.772 4.007 0 40 DIAB O=C(Nc1ccc(F)cc1)c1ccccc1C(=O)c1ccccc1 14877942 VPNISMIRHVRNRG-UHFFFAOYSA-N 319.335 4.309 0 40 DIAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 14934081 KSIHVSZWBHENMG-UHFFFAOYSA-N 304.349 4.115 0 40 DIAB Cc1n[nH]c(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 19796842 QHCMDKSRIBVENJ-UHFFFAOYSA-N 323.183 4.292 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 20105494 CQUWGLKJFCCKNX-CQSZACIVSA-N 317.816 4.074 0 40 DIAB O[C@@H]1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1(Cl)Cl 22022857 NLYQASMQWRHYBV-QLFBSQMISA-N 309.192 4.034 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 24068881 FEMUVFUNQUVUAC-UONOGXRCSA-N 317.429 4.492 0 40 DIAB COc1ccccc1C(=O)N(Cc1ccco1)c1ccc(C)cc1 24987911 GMZFHLKBWJNTDM-UHFFFAOYSA-N 321.376 4.444 0 40 DIAB CC[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 29808635 NCSHQSMFPFITGX-CQSZACIVSA-N 311.429 4.210 0 40 DIAB O=C(/C=C/c1cccnc1)N1CCC[C@@H]1c1ccc(Cl)cc1 30364138 RBDLNHITAUXREH-JSNVTFDYSA-N 312.800 4.112 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1 32581162 PCPDEOZKRIYHGQ-HLLBOEOZSA-N 317.429 4.082 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCCC3)cc1 57416298 CIODTSDWGXUCKJ-GFCCVEGCSA-N 315.438 4.127 0 40 DIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-c2cnco2)cc1 71903756 GXNRUDFKDOZYJM-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1C 72414354 MTKVDFCGBXVYSV-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB COCc1nc(CSc2ncc(-c3ccccc3)o2)cs1 95403414 FYWIWLLSIZBFNF-UHFFFAOYSA-N 318.423 4.237 0 40 DIAB CC(C)(C)[C@@H](NC[C@H](O)c1ccco1)c1cc2ccccc2o1 95996221 HMYDAORUHYSJSZ-KSSFIOAISA-N 313.397 4.436 0 40 DIAB C[C@@H](NCc1nc2ccccc2o1)c1ncc(-c2ccccc2)o1 97112335 YTRYNVMCWASWLY-CYBMUJFWSA-N 319.364 4.334 0 40 DIAB C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13CC(=O)[C@](C)(CC[C@H]21)C3 100569079 KFVUFODCZDRVSS-YZEAIEHJSA-N 318.457 4.443 0 40 DIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)s1 222568502 YRFNEPXNVNFBJU-TUKIKUTGSA-N 315.467 4.041 0 40 DIAB Cc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2F)cc1 223568654 AUSUDHQPLHAEFF-UHFFFAOYSA-N 319.807 4.079 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCC1CCCCC1 224469447 HHATUTLMBBNRTA-KRWDZBQOSA-N 303.446 4.157 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 248379708 NQUQIAYCNLKMTR-IJPWUHMPSA-N 316.441 4.265 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1c(F)cccc1F 408680931 UCSNUTQULSNNCK-HNNXBMFYSA-N 305.324 4.069 0 40 DIAB Fc1ccc(Oc2ccccc2)c(OCCN2CCCC2)c1 585265552 SPPAMEDFIDTKCV-UHFFFAOYSA-N 301.361 4.093 0 40 DIAB CO[C@@H](c1ccccc1)c1c(-c2ccccc2)nn(C)c1Cl 1392098 GNFHAMHITFBPIH-KRWDZBQOSA-N 312.800 4.476 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1nncc2cc(Cl)ccc12 1687507 KGBVJBKYFNURLO-ZDUSSCGKSA-N 320.868 4.206 0 40 DIAB CCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 3220777 UCLVGSMQUVDYHP-UHFFFAOYSA-N 301.198 4.465 0 40 DIAB O=C(/C=C/c1ccco1)OCc1csc(-c2ccccc2)n1 3272020 VCJDPENLUVXSGT-CMDGGOBGSA-N 311.362 4.160 0 40 DIAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)CCC3)c1 3424318 TVNXXYFHORMQNO-UHFFFAOYSA-N 315.800 4.155 0 40 DIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccn2)N3)C1 4108145 SSJSLAWCQXIKDK-BONVTDFDSA-N 313.426 4.087 0 40 DIAB COC(=O)c1c(NC(=O)c2ccc(C)cc2C)sc(C)c1C 4570497 RZTIMPZHBXMOAF-UHFFFAOYSA-N 317.410 4.021 0 40 DIAB Fc1ccccc1CN1CCC(Nc2ccccc2F)CC1 4817066 GJVLNTCYBAYFDG-UHFFFAOYSA-N 302.368 4.041 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1OC 6230876 QUZUNBMYCCALAK-UHFFFAOYSA-N 322.817 4.166 0 40 DIAB COc1cc2c(cc1[C@@H](C)c1cc(C)c(OC)c(C)c1)OCO2 6484504 YUJZDDQUWHOMHW-ZDUSSCGKSA-N 314.381 4.201 0 40 DIAB CC(=O)Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 8036173 OVSXWWTXMRTRFO-CSKARUKUSA-N 305.333 4.036 0 40 DIAB CCCCNc1nc(-c2cccc(N3CCCC3=O)c2)cs1 8296747 UAMJCTODTRTDEK-UHFFFAOYSA-N 315.442 4.149 0 40 DIAB O=C(O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 8849453 UMELINFXRHXIBA-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 10213394 BKBBSWSYLPDOEZ-UHFFFAOYSA-N 322.767 4.022 0 40 DIAB COc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1 12537093 FNNGEMCRCSMOLZ-ZDUSSCGKSA-N 309.369 4.227 0 40 DIAB O=C(Nc1nccs1)c1ccc(SC(F)(F)F)cc1 12874058 IENIUBBCYJJGCX-UHFFFAOYSA-N 304.318 4.007 0 40 DIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CC12CCC2 19334824 ZGWKSHYXZAZERJ-AWEZNQCLSA-N 316.401 4.002 0 40 DIAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c1 21840240 NLICJFIQTIEVDW-ZVCKQPPJSA-N 309.365 4.258 0 40 DIAB O=C(c1cc2ccccc2s1)N1CCC[C@H]1c1ccncc1 23055109 PSQNONAAOSLMOX-HNNXBMFYSA-N 308.406 4.274 0 40 DIAB Cc1ccc(C(=O)CN(C2=NCCS2)c2cccc(C)c2)cc1 26506119 LOIVYFVRFNLVHS-UHFFFAOYSA-N 324.449 4.096 0 40 DIAB Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 32501683 OMGSKYWSGFZMRE-UHFFFAOYSA-N 319.286 4.142 0 40 DIAB Nc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1 37287984 WJXRARHGHARJOE-UHFFFAOYSA-N 323.577 4.493 0 40 DIAB C[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 40145046 FIDCIULVGFDRRR-LBPRGKRZSA-N 312.800 4.355 0 40 DIAB c1ccc2c(NC3CCCC3)nc(N3CCCCCC3)nc2c1 41152332 FWWNJVFQAQWDBB-UHFFFAOYSA-N 310.445 4.365 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccsc2)o1 43723071 DRYYPKVFFYYVHB-OCCSQVGLSA-N 304.415 4.257 0 40 DIAB Cc1cc(=O)oc2cc(NC(=O)CCCc3ccccc3)ccc12 49574326 BFYYFIBUTXCFRB-UHFFFAOYSA-N 321.376 4.063 0 40 DIAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1c(C)noc1C 58307560 LXLTUVLZUAMVHZ-UHFFFAOYSA-N 313.810 4.060 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Cl)nc1 72211446 RIWIVHNNKOBVHS-OAHLLOKOSA-N 316.788 4.209 0 40 DIAB O=C(C[C@@H]1C=CCC1)N1CCC(Oc2ccccc2Cl)CC1 96484063 LNVIATCSPIQFRS-CQSZACIVSA-N 319.832 4.066 0 40 DIAB CCCCC[C@H](CN(C)C)[C@H](O)/C=C\c1ccccc1Cl 104143271 JWECFDHHHFPOGP-VKJYAMAFSA-N 309.881 4.472 0 40 DIAB COc1ccc(CCCNC(=O)c2ccc(C)cc2Cl)cc1 192325362 OCZNTNIUGNRVTL-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB O=C(CCc1cccc2ccccc12)N1CCc2ccccc2C1 222660028 CNYOTGPQAWWJMC-UHFFFAOYSA-N 315.416 4.357 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc2c(c1)CCCC2 224016680 UWMFKNUEQYZOGB-INIZCTEOSA-N 323.436 4.130 0 40 DIAB CC(C)[C@H](C)NC(=O)CSCc1ccc(Cl)cc1Cl 225229774 KPPBWEROPPQVKZ-JTQLQIEISA-N 320.285 4.387 0 40 DIAB Cc1ccc([C@H](NC(=S)Nc2ccncc2)C(C)C)c(C)c1 225766577 LSQPSPZOXBYXFX-QGZVFWFLSA-N 313.470 4.382 0 40 DIAB COc1cccc2cc(C(=O)NC3CCCCCCC3)oc12 408703915 VWTKUGSRMGMCQO-UHFFFAOYSA-N 301.386 4.284 0 40 DIAB COc1ccc(CCCC(=O)Nc2ccccc2F)cc1C 408997843 JVBFVVALVZVSFR-UHFFFAOYSA-N 301.361 4.104 0 40 DIAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)c[nH]c12 409131012 OVHCZKRVLBMLHE-ZSOIEALJSA-N 314.410 4.175 0 40 DIAB Fc1ccc(-c2cnc3cc(CCC4CCNCC4)ccn23)cc1 643550285 BRDMEDKNHXBZRJ-UHFFFAOYSA-N 323.415 4.073 0 40 DIAB CC1(C)CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1 36246 YDEXLPRNTLIGOA-UHFFFAOYSA-N 306.765 4.148 0 40 DIAB Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)o1 55360 JXPILPJGVRJDGD-NTUHNPAUSA-N 322.147 4.239 0 40 DIAB OCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 138395 MEZRDJVJFDVHKZ-UHFFFAOYSA-N 310.193 4.477 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl 367723 FMFXHZXDEYPLFS-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB c1ccc2c(c1)CCN(c1ncnc3sc4c(c13)CCCC4)C2 3331811 JOXQWSMCGBRLNI-UHFFFAOYSA-N 321.449 4.133 0 40 DIAB C[C@@H]1C[C@](OC(=O)c2ccccc2)(c2ccccc2)[C@H](C)CN1C 4011832 ADUJECNUNSENPU-CBGDNZLLSA-N 323.436 4.099 0 40 DIAB C[P@](=O)(O)[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 4119567 YJNSIIVVTCZRLR-MRVPVSSYSA-N 306.142 4.209 0 40 DIAB CCCC(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 4715499 LDKPPUZWKOSRBC-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB CCC[C@@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)OC[C@@H]1CC 4777615 BOADCXBIQVHDFM-NKFCBESUSA-N 312.793 4.309 0 40 DIAB Cc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)c(C)c1 5264449 YWAPTNAUARUOKR-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1F 6331801 XRHLDNIJSGHFQB-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB c1coc(-c2nnc(SCc3nc4ccccc4s3)o2)c1 6946739 JMXMBRPHQTYICY-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB CCn1c(SCc2cn3cc(C)ccc3n2)nc2ccccc21 7153834 DARHCHZXHQYKAM-UHFFFAOYSA-N 322.437 4.305 0 40 DIAB CCCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21 9109789 MCSYFVSERMTHPL-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB CCCCn1nc(NC(=O)C(C)C)c2cc3ccc(C)cc3nc21 9359238 UAOFJZCFSSCPQQ-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB O=C(/C=C/c1ccco1)NC1c2ccccc2-c2ccccc21 9479372 NSRQPDCVDYVTMM-VAWYXSNFSA-N 301.345 4.179 0 40 DIAB Nc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)c(Cl)c1 12395375 RCKKKROLSFGFDM-UHFFFAOYSA-N 315.726 4.006 0 40 DIAB O=C(Nc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 12593934 MYDLEUDENJMINK-UHFFFAOYSA-N 307.806 4.319 0 40 DIAB COc1ccc(Cl)cc1CNCCc1c[nH]c2ccccc12 19872320 QCPXFHNTIOCJIX-UHFFFAOYSA-N 314.816 4.162 0 40 DIAB CC(C)c1nnc(SCc2cccc(Br)c2)o1 20034605 CWAAADOUEJEDNJ-UHFFFAOYSA-N 313.220 4.248 0 40 DIAB CC(C)(C)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136890 JIBHXLYZMZZRJJ-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB CCN(CC)CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 22107518 HTCYGHYLNCAKSS-UHFFFAOYSA-N 324.827 4.171 0 40 DIAB C[C@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccccc1F 22468697 DCYACHZLVIKMGW-ZDUSSCGKSA-N 312.388 4.144 0 40 DIAB CCOc1ccc(C(=O)N[C@H](C)c2cccs2)cc1OCC 23435750 MEXADHXGHUMTGZ-GFCCVEGCSA-N 319.426 4.037 0 40 DIAB CC(C)Oc1ccc(NC(=O)c2ccc[nH]c2=S)cc1Cl 29799742 XXLUEBQDRQITBA-UHFFFAOYSA-N 322.817 4.437 0 40 DIAB Cc1[nH]c2ccc(F)cc2c1CCNCc1ccccc1F 36657764 YOLGYCFRJAISRM-UHFFFAOYSA-N 300.352 4.087 0 40 DIAB O=C(c1csc(-c2ccco2)n1)N1CCCCc2ccccc21 40133994 QQICFOBRWUOTRV-UHFFFAOYSA-N 324.405 4.386 0 40 DIAB Cc1nc(OCc2ccccc2)ccc1[C@H](N)c1ccccc1 72224474 NEYPIGSIWFNNEN-HXUWFJFHSA-N 304.393 4.017 0 40 DIAB C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1cccnc1)c1ccccc1 75094247 XXYCWCRVTPWJSS-HUUCEWRRSA-N 309.413 4.078 0 40 DIAB CCc1nc(CN[C@@H](C)c2cnc3ccsc3c2)cs1 95422159 VBDAYOHEUIJIHP-JTQLQIEISA-N 303.456 4.166 0 40 DIAB O=C(O)c1scc(Cl)c1OCc1cccc(Cl)c1 96510965 VNGZTJFGIBKLQE-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB C[C@H](C1CC1)N(Cc1ccccc1)C[C@@H](O)c1cccc(F)c1 106108022 FPDDPTLDINSGBI-FOIQADDNSA-N 313.416 4.160 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113951621 XQDHDEZMMOJHDD-RDTXWAMCSA-N 315.388 4.169 0 40 DIAB CCCOc1ccccc1CCCNC(=O)Nc1ccccc1 222627546 CDALMFYMSALNFY-UHFFFAOYSA-N 312.413 4.230 0 40 DIAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc(C)c(C)c1 222756872 CAXDJHFNAWQCLE-LJQANCHMSA-N 311.425 4.258 0 40 DIAB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc2c(c1)CCCC2 223022637 YGHIBNXWVGUBOS-LJQANCHMSA-N 323.436 4.455 0 40 DIAB CCC[C@@H](C(=O)O)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223217053 UJWCEDFSTBUNEC-WFASDCNBSA-N 305.418 4.041 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1C[C@@H]2CC[C@@H]1C2 225368609 YMEUNSOACZTPFD-HCKVZZMMSA-N 312.240 4.231 0 40 DIAB CCc1ccc([C@H](C)NC(=O)CSCc2ccccc2)cc1 225709705 WVSYAGSEVDJBIR-HNNXBMFYSA-N 313.466 4.360 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1[C@H](C)CCC[C@H]1C 245319141 ZOHVSEXZWRMRLF-BSDSXHPESA-N 319.489 4.203 0 40 DIAB CC[C@@H](C)OCc1c(Br)cnn1C1CCCC1 408715774 DMRDJFQPHQNIGY-SNVBAGLBSA-N 301.228 4.076 0 40 DIAB COc1ccc(CCCC(=O)N[C@@H](C)c2ccccc2)c(C)c1 408915888 RLMZIBJASXGWJL-INIZCTEOSA-N 311.425 4.204 0 40 DIAB CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 882060 BFNYOOCMFPHLMR-UHFFFAOYSA-N 308.406 4.363 0 40 DIAB CCOC(=O)CCCCC(=O)c1cc(Cl)ccc1Cl 2580345 DNMXJTDHCXJDOI-UHFFFAOYSA-N 303.185 4.300 0 40 DIAB Cc1ccc(OCCCCNC[C@@H]2CCCO2)c(C(C)(C)C)c1 3247027 SOZKIJQGZWGXKN-KRWDZBQOSA-N 319.489 4.220 0 40 DIAB C[C@@H]1CC[C@](C)(C(=O)CNC(=S)Nc2ccccc2)C1(C)C 3846118 QTDFEDDXQLVCNA-FZKQIMNGSA-N 318.486 4.005 0 40 DIAB biogenic Fc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 4664957 ZCWALGCGVOOTOM-IZZDOVSWSA-N 322.368 4.162 0 40 DIAB COCc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 5279161 GRKQMOWCFCGYSU-UHFFFAOYSA-N 324.207 4.070 0 40 DIAB CCCCCC(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 5553602 DZHSJIWJQNYDTE-UHFFFAOYSA-N 318.376 4.468 0 40 DIAB Cc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)cc1 6215054 MQKFNCKVAXIASY-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)cc1 6982098 YJMFNWWMPNXCIT-ACJLOTCBSA-N 311.381 4.472 0 40 DIAB COc1cc(CNC2CC2)ccc1OCc1ccccc1Cl 8472111 BLPVCHBILLVHED-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)C1(c2ccc(Cl)cc2)CC1 9512539 BFPRKKKWQCBVNU-UHFFFAOYSA-N 307.727 4.289 0 40 DIAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 10542371 ASLVTIDCSFXDAR-UHFFFAOYSA-N 308.208 4.356 0 40 DIAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(-c2ccco2)n1 12734527 VXXPFSXXMXQCIA-UHFFFAOYSA-N 316.382 4.192 0 40 DIAB CC(C)c1ccc(CN(C)C(=O)NCCc2ccccc2)cc1 12985236 YFGQPJXJDDJMEU-UHFFFAOYSA-N 310.441 4.194 0 40 DIAB COc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1C 13000735 CAKZTJJIVDFKSP-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB CCOc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2)cc1 18172815 HVYUMYKSIKKOTK-UHFFFAOYSA-N 318.804 4.403 0 40 DIAB COCCCNc1nc(-c2cccc(C)c2)cc2ncccc12 19235311 VAQYUAVRUSDOAY-UHFFFAOYSA-N 307.397 4.054 0 40 DIAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)on1 25615505 YNKIGCBVOKNMEF-CQSZACIVSA-N 306.365 4.175 0 40 DIAB Cc1ccc(-n2c(CNc3ccccc3C)n[nH]c2=S)cc1 26439438 MXZVRNJTYOLAFG-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB COc1cccc(CNC(=O)Nc2c(C)cccc2C(C)C)c1 40098074 QOJKUSUVCDUFHI-UHFFFAOYSA-N 312.413 4.449 0 40 DIAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccc(F)c1 40144967 LNWYENGCGOGMGB-JTQLQIEISA-N 316.763 4.451 0 40 DIAB CCN(Cc1ccccc1)c1ncc(Br)cc1C 42783647 RATHMNPPEINRIA-UHFFFAOYSA-N 305.219 4.179 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)c(F)c1 44884960 WTKMACKZMOTGTH-MRXNPFEDSA-N 319.351 4.378 0 40 DIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H](C(F)(F)F)C1 57331548 RXDCUSXGFGVFQP-NEPJUHHUSA-N 324.346 4.013 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351219 NGJPLVPRZYDFNW-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB CC(C)(C)c1nnc(CN2CCCC3(CCCCCC3)C2)o1 75968364 RBZYRRBDJAGVFV-UHFFFAOYSA-N 305.466 4.304 0 40 DIAB CC[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@@H]1c1ccccc1 80450310 XRSXSKQBQSEBGC-YOEHRIQHSA-N 324.424 4.208 0 40 DIAB Cc1nc2sc3c(c2c(C)c1C)NC1(CCCCC1)NC3=O 95117459 AIKHCSCQMGQBBW-UHFFFAOYSA-N 315.442 4.037 0 40 DIAB CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccncc1 95968434 HRAAAVFWZYJICW-WMLDXEAASA-N 312.413 4.045 0 40 DIAB O=c1[nH]c2c(s1)[C@H](c1cccs1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872204 GCAODHPIRMXSSB-NLMQRWQWSA-N 321.492 4.150 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113950952 CTZNUJIBAUPQPV-SIKIZQCASA-N 323.436 4.302 0 40 DIAB CCCC[C@@H](CC)CNC(=O)COc1cccc2c1CCCC2 225115027 UYLIUJMCWPJUSE-MRXNPFEDSA-N 317.473 4.277 0 40 DIAB CO[C@@H](CSc1nnc(C(F)(F)F)s1)c1ccccc1 225777593 HLXSLBMZFWMADU-VIFPVBQESA-N 320.361 4.037 0 40 DIAB CCc1nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2n1C 225896469 IAOZJNWNLNDVNU-UHFFFAOYSA-N 313.788 4.041 0 40 DIAB C[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257228291 FTIBCQYCJIEIJH-HNNXBMFYSA-N 309.409 4.426 0 40 DIAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccccc1 408585878 JTNACPBRAPKARB-UHFFFAOYSA-N 316.769 4.323 0 40 DIAB Cc1ccc2sc(CN3CC[C@H](Cc4ccncc4)C3)nc2c1 528444168 VLUIRRZTDLOHLD-MRXNPFEDSA-N 323.465 4.064 0 40 DIAB O=C(c1ccccc1OC(F)(F)F)C(Cl)(Cl)Cl 575359245 YGAJTDRQRKVBIM-UHFFFAOYSA-N 307.482 4.138 0 40 DIAB CC(C)c1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 428549 BYRACCUSNXAOOY-UHFFFAOYSA-N 306.409 4.483 0 40 DIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 514510 HBYQBEMBODIRML-AWEZNQCLSA-N 313.397 4.225 0 40 DIAB CSc1ncc(Br)c(Nc2ccc(C)cc2)n1 1679410 WNFBHRFSLCMEAU-UHFFFAOYSA-N 310.220 4.013 0 40 DIAB O=C(/C=C/c1cccs1)Nc1nc2c(F)cccc2s1 2723805 QVRNNKFRPWGKIM-VOTSOKGWSA-N 304.371 4.149 0 40 DIAB Cc1cnc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cn1 3379854 TXPAYJRDZUJOFU-UHFFFAOYSA-N 312.413 4.056 0 40 DIAB O=C(O)/C(=C\c1ccc(Br)cc1)c1cccs1 4218821 NSNGEGUYVNWOBX-FLIBITNWSA-N 309.184 4.136 0 40 DIAB CCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12 5304712 DHSHYWULTVKIEU-UHFFFAOYSA-N 308.772 4.160 0 40 DIAB C1=C[C@@H]2[C@@H](c3cn(-c4ccccc4)nc31)[C@H]1C3[C@H]4C=CC(C=C[C@@H]34)[C@@H]12 5722037 XVWJOZCUCAQNFB-GDSODOMNSA-N 324.427 4.463 0 40 DIAB Cn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc21 6646863 LOAVFEGJMIEECP-UHFFFAOYSA-N 322.433 4.037 0 40 DIAB Cc1cc(NC(=O)[C@H](C)SC23CC4CC(CC(C4)C2)C3)no1 7418684 WGKHYIRXXSUDOW-GVMDUPDNSA-N 320.458 4.012 0 40 DIAB Cc1c(Cl)cccc1N[C@H](C(=O)NC1CC1)c1ccccc1 7545503 VHBDNYGZIOVUMP-KRWDZBQOSA-N 314.816 4.080 0 40 DIAB O=C(Nc1ccc(Br)cc1)C1(c2ccccc2)CC1 7609485 IRTYMKQPBDBNTJ-UHFFFAOYSA-N 316.198 4.119 0 40 DIAB CCc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 8075886 HALPNKYCQKJZFM-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB COCCN(Cc1cccs1)C(=O)Nc1ccc(Cl)cc1 8750080 WKGOCDDBXFVHCP-UHFFFAOYSA-N 324.833 4.082 0 40 DIAB CSc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 11836559 VOJWLNVLPFWWHS-INIZCTEOSA-N 315.463 4.372 0 40 DIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2[nH]cnc2c1 12535725 WAYGVGFXXFIWET-NSHDSACASA-N 313.788 4.050 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(C)c1 12994719 BKZHXAOGJKTOOA-UHFFFAOYSA-N 319.404 4.265 0 40 DIAB CC(=O)O[C@@]1(c2ccccc2)CCN(C2CCCCC2)C[C@@H]1C 13635206 YHAZEJUWPWABOU-JXFKEZNVSA-N 315.457 4.120 0 40 DIAB Cc1ccccc1CNC(=O)[C@H](C)Oc1cccc2ccccc12 13709038 AJIYACDNJLFMSN-INIZCTEOSA-N 319.404 4.232 0 40 DIAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)ccc1C 14255587 PAAUBIQGOKWBFD-UHFFFAOYSA-N 317.454 4.229 0 40 DIAB Cc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1 15352468 UAIYDEFABLHJCB-UHFFFAOYSA-N 301.773 4.250 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2)on1 16705935 WFQPYZLBAXTPAC-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB Cc1cc(CS[C@H](C)C(=O)Nc2cc(Cl)ccc2C)no1 27191062 BAMOVMGCFARFCX-LLVKDONJSA-N 324.833 4.205 0 40 DIAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c1 28266068 AWDQNAJDGZYJTL-UHFFFAOYSA-N 317.392 4.310 0 40 DIAB O=C1c2ccccc2CC[C@@H]1Sc1noc(-c2ccccc2)n1 28527279 WBFAJKAHBIDTIO-HNNXBMFYSA-N 322.389 4.026 0 40 DIAB COc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 28579807 BHAIUOFQGYHKGY-NSHDSACASA-N 304.777 4.231 0 40 DIAB Cc1ccc(C2=C[C@@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 33751575 QTBFBYQKRWIEFO-KRWDZBQOSA-N 320.417 4.022 0 40 DIAB C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 35903281 ZPSMCWBCXWNNIV-GFCCVEGCSA-N 305.780 4.289 0 40 DIAB COc1ccc(OCc2c(Cl)cccc2Cl)c(C=O)c1 37022002 ROBFCUIHVPXTIS-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB O=C(Cc1cccs1)N1CC=C(c2c[nH]c3ccccc23)CC1 40049220 SONMROQIUKJJGE-UHFFFAOYSA-N 322.433 4.088 0 40 DIAB Ic1ccc(OCC2CCCCC2)cc1 70130806 CSVOGOHLNJWWIN-UHFFFAOYSA-N 316.182 4.250 0 40 DIAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1F 71325904 JBQMZTFGUIDIEL-UHFFFAOYSA-N 310.781 4.297 0 40 DIAB CCCC(=O)Nc1cc(NC2CCCCC2)c(N)cc1Cl 72229039 QGUQLURHTDCVCY-UHFFFAOYSA-N 309.841 4.405 0 40 DIAB Cc1cnc([C@@H](NC(=O)C[C@@H](C)c2ccccc2)C2CC2)s1 72296841 ONIDNQYZXILXOI-PXAZEXFGSA-N 314.454 4.213 0 40 DIAB CCc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 72331628 RZPHJYHATZEWEL-UHFFFAOYSA-N 308.208 4.486 0 40 DIAB O=C1C[C@H](c2nc3ccccc3o2)CN1c1ccccc1Cl 82087167 JWTQPCPDDKRKLY-NSHDSACASA-N 312.756 4.002 0 40 DIAB C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)c2ccccc2S1 89930057 VFXQWPRZKKMJAO-NSHDSACASA-N 314.410 4.083 0 40 DIAB CCCOCc1ccccc1CNc1ccc(OC(F)F)cn1 89960252 KKGMLGUWCMVEJI-UHFFFAOYSA-N 322.355 4.222 0 40 DIAB O=Cc1c(-c2ccsc2)[nH]c2ccc(Br)cc12 96295478 ZZMQOVYJGJBRFF-UHFFFAOYSA-N 306.184 4.471 0 40 DIAB CC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913920 DFQIPZIKAWWOOR-OGNRNXDYSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1 216813239 WCHYFSJOSFKISB-UHFFFAOYSA-N 308.736 4.235 0 40 DIAB Cc1cccnc1-c1noc(-c2ccc([C@H]3CCCOC3)cc2)n1 329596268 VRZBNOMWHNQPTD-INIZCTEOSA-N 321.380 4.001 0 40 DIAB Cc1cccc2c1ncn1nc(C3C4CC5CC(C4)CC3C5)nc21 585157920 MOIDBMQYMIWSPH-UHFFFAOYSA-N 318.424 4.126 0 40 DIAB COc1ccc(Nc2c3ccccc3nc3[nH]nc(C)c23)cc1 408145 YVLXGSFZSYVKKG-UHFFFAOYSA-N 304.353 4.172 0 40 DIAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC 503955 IPNICLBZKCCRSC-UHFFFAOYSA-N 313.397 4.299 0 40 DIAB Cc1ccccc1-c1nnc(N(C)C(=O)C2CCCCC2)s1 1345251 OBKCKCCKZFGGFB-UHFFFAOYSA-N 315.442 4.057 0 40 DIAB c1ccc2c(c1)ccc[n+]2CCCC[n+]1cccc2ccccc21 1668738 UDTFBDQGKZRSEC-UHFFFAOYSA-N 314.432 4.048 0 40 DIAB CCN(CC)CCOC(=O)[C@@H](c1ccccc1)[C@@H]1C=CCCC1 1710809 SGFGQSKEXCCYTI-MOPGFXCFSA-N 315.457 4.012 0 40 DIAB Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2C)o1 4038561 YCJHDCKVDLSWRK-UHFFFAOYSA-N 304.353 4.350 0 40 DIAB c1ccc(CSc2nnc3c(n2)Nc2ccccc2S3)cc1 5688982 JNUFAQNQKZRNNL-UHFFFAOYSA-N 324.434 4.372 0 40 DIAB CC[C@H](C)c1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 7238897 SGKHUWGMLMINCE-LBPRGKRZSA-N 314.458 4.273 0 40 DIAB O=C(CCc1ccco1)N(Cc1ccccc1)c1ccccc1 7735545 GYOUXLGMXXZXKN-UHFFFAOYSA-N 305.377 4.446 0 40 DIAB C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1cccs1 9513338 AMGVXXKRMXZKLS-LBPRGKRZSA-N 321.409 4.050 0 40 DIAB Clc1ccc(C2(CN(Cc3ccccn3)C3CC3)CC2)cc1 12364465 WBGDPJCBSJZLNE-UHFFFAOYSA-N 312.844 4.431 0 40 DIAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1 12999875 PJQQCGCGIJQMSS-ZDUSSCGKSA-N 308.406 4.301 0 40 DIAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2n1 15835244 FBZPVCOFTAQRLK-ZDUSSCGKSA-N 324.355 4.088 0 40 DIAB Clc1ccccc1CNCc1cccc(Br)c1 16449757 DDXZRMLGCCKFKI-UHFFFAOYSA-N 310.622 4.392 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c1 20452639 XEHUIMQQZLVQTO-CQSZACIVSA-N 313.397 4.225 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)CCSc1ccccc1 22367301 MZOFCEAELFCYLV-AWEZNQCLSA-N 315.438 4.055 0 40 DIAB CSc1ccccc1NC(=O)COc1cc(C)cc(C)c1C 25216133 GGANRENKCWOMSD-UHFFFAOYSA-N 315.438 4.351 0 40 DIAB Cc1cccc(C(=O)N(Cc2ccccc2F)c2ccccn2)c1 27992345 VJIRSVMPCZIAIP-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 30547752 WSWWIOBDJBKEQS-ZDUSSCGKSA-N 324.449 4.308 0 40 DIAB Cc1cnc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)s1 42218625 PGBMFTNWNSZUNV-MRXNPFEDSA-N 324.405 4.210 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(F)cc1 44900126 CGOJBLDBONATBP-PBHICJAKSA-N 315.388 4.169 0 40 DIAB C[C@@H]1CCCCN1c1c(Cl)cc(N)cc1Br 45885807 VACSPOWRLURDEF-MRVPVSSYSA-N 303.631 4.064 0 40 DIAB CO[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 49031533 YQVNELYVHGIKRR-RBZZARIASA-N 304.474 4.325 0 40 DIAB CCN(C(=O)CCCc1ccccn1)[C@@H](C)c1ccc(F)cc1 71903468 SKGPRSXTVJQVTQ-HNNXBMFYSA-N 314.404 4.153 0 40 DIAB CC(C)CN1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C 72213020 HXTHWRQNVYJQKN-SFHVURJKSA-N 303.494 4.498 0 40 DIAB O[C@H](c1cc(F)cc(Cl)c1)c1cccc(Br)c1 95730183 XKPCQTDTKAAQBV-ZDUSSCGKSA-N 315.569 4.323 0 40 DIAB Clc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 100716823 HMJBJENBLPCCGC-ZDUSSCGKSA-N 314.801 4.049 0 40 DIAB O=C(O)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1 110067888 JLTILXQKIUFHLL-UHFFFAOYSA-N 322.345 4.317 0 40 DIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 138999101 MOKSNUBXSJMQIH-INIZCTEOSA-N 311.425 4.122 0 40 DIAB Cc1cc(O[C@H](Cc2ccccc2C)C(=O)O)ccc1Cl 225015402 HUATWDUZGIOVPU-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cccc(CCCNC(=S)Nc2cccc(F)c2)c1 225391967 GZXPHZNRHIHOFQ-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB Fc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225543610 WLPAARYWGBKXSF-UHFFFAOYSA-N 322.836 4.398 0 40 DIAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865242 OWCUZZIDLWOWES-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB Cn1cnc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 225892022 FNUSVGNUWSVGEA-UHFFFAOYSA-N 320.179 4.132 0 40 DIAB Oc1nc(SCc2ccc(Cl)cc2)nc2sccc12 408597872 VRONNEXGWDXCPZ-UHFFFAOYSA-N 308.815 4.343 0 40 DIAB CSc1ccc2nc(N3CCC(F)(F)CC3)sc2c1 1889125130 DDQOZABDGOKNNO-UHFFFAOYSA-N 300.399 4.254 0 40 DIAB CCc1cc(C(=O)Cc2cc3ccccc3o2)c(O)cc1OC 138775 NDOFDSGSGXYOKS-UHFFFAOYSA-N 310.349 4.135 0 40 DIAB biogenic O=C(/C=C/c1nc2ccccc2s1)NC1CCCCCC1 3613259 JEMJKQXIJAFRIP-VAWYXSNFSA-N 300.427 4.149 0 40 DIAB C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)c1ccccc1 4784088 BPOAWKQUNSIMJS-AWEZNQCLSA-N 324.424 4.162 0 40 DIAB CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C[C@@H](O)C[C@H]12 4946305 YHLRRRCAVBZXEW-AXBXVSCFSA-N 300.442 4.302 0 40 DIAB CCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 8227253 GLIUCQHZTAMCTE-UHFFFAOYSA-N 305.805 4.037 0 40 DIAB C[C@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 11251206 MGRUUSLZEFCCRD-NSHDSACASA-N 312.866 4.055 0 40 DIAB COc1cccc(/C=C/C(=O)O)c1OCc1ccccc1Cl 11893083 CVUKLYDMKUTKJB-MDZDMXLPSA-N 318.756 4.025 0 40 DIAB CCCc1cc2c(cc1NC(=O)C[C@@H]1C[C@H]3CC[C@@H]1C3)OCO2 12411443 WJRFPNFAKYJALO-GUTXKFCHSA-N 315.413 4.133 0 40 DIAB Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)nc1 12462471 LFCWPMNBLXCMHF-UHFFFAOYSA-N 318.804 4.150 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 12985473 VNOGXNHQVKSEII-CQSZACIVSA-N 302.374 4.184 0 40 DIAB Cc1ccccc1CCN1Cc2cc3ccccc3nc2OC1=O 13227660 WOBUWWGUDXLOOI-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB O=C1OC2(c3ccccc3)[C@@H]3CCC[C@H]2C13Sc1ccccc1 13399955 OTDAVARGMRVVJF-FWYSVENZSA-N 322.429 4.400 0 40 DIAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13689074 RJARPKHCZWJSGI-CQSZACIVSA-N 321.376 4.254 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1 13710366 ZOIUZMCMCXXCDY-AWEZNQCLSA-N 317.816 4.041 0 40 DIAB COC(=O)Cc1nc(-c2sc3ccccc3c2C)cs1 16266681 NRHLNONVFHUJSM-UHFFFAOYSA-N 303.408 4.049 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)c1csc2c1CCCC2 22007809 WROQDJKVDXHHEE-NSHDSACASA-N 317.479 4.448 0 40 DIAB CC(C)CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22878412 POKVKTPFMNBJAC-QGDMRXHLSA-N 319.448 4.446 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(F)cc1 26501701 XYJFACOAPYGLJY-QWHCGFSZSA-N 303.402 4.184 0 40 DIAB CC1=CN(c2ccc(O)cc2)C(=O)N(c2ccccc2)N=C1C 28526911 CMFFZVAJBQYJMP-UHFFFAOYSA-N 307.353 4.119 0 40 DIAB Clc1cc(Cl)cc(-c2nn3c(C4CC4)nnc3s2)c1 32093435 CWOLURZFNSLDBV-UHFFFAOYSA-N 311.197 4.037 0 40 DIAB CCCOc1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 32770911 RKDAUPZWSAXESS-UHFFFAOYSA-N 312.344 4.348 0 40 DIAB O=C(c1csc(Br)c1)N1CC[C@H]1c1ccccc1 32928141 AGDSSUOOUSVYIA-LBPRGKRZSA-N 322.227 4.098 0 40 DIAB CC(C)c1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1 38151515 WKBJWURPBIOZIL-AWEZNQCLSA-N 314.404 4.238 0 40 DIAB Cc1cc(C)n2nc(C)c(-c3ccc(Br)cc3)c2n1 39963951 QRRCIKTUJZUMEZ-UHFFFAOYSA-N 316.202 4.084 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccc(F)c1 40141183 PUGIXYHJZMCQSO-KGLIPLIRSA-N 317.429 4.325 0 40 DIAB COc1ccc2oc(C(=O)Nc3cccc(Cl)c3)cc2c1 41306296 HSPFXZSCIPMVFF-UHFFFAOYSA-N 301.729 4.347 0 40 DIAB CC(C)(C)OC(=O)CCNC(c1ccccc1)c1ccccc1 47218996 CPEGCQWBBDVIMB-UHFFFAOYSA-N 311.425 4.097 0 40 DIAB CN(Cc1cscn1)C(=O)c1ccccc1Oc1ccccc1 58354974 AQBCXCQEPUATNP-UHFFFAOYSA-N 324.405 4.208 0 40 DIAB Cc1ncc([C@@H](C)NCc2ccccc2OC2CCC2)s1 90028171 JMSVQTSEVCUTCF-GFCCVEGCSA-N 302.443 4.234 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCc2ccccc2C1 216386931 PVWWBGQBIDOMFZ-LJQANCHMSA-N 323.436 4.046 0 40 DIAB O=C(Cc1cccs1)N1CCS[C@@H](c2cccs2)CC1 219488736 GZUQSVFHXMVSBL-CQSZACIVSA-N 323.508 4.059 0 40 DIAB O=C(NCCCc1ccc(Cl)cc1)c1cc2ccccc2o1 219945426 IYJLJNYYXKGBAY-UHFFFAOYSA-N 313.784 4.449 0 40 DIAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 223980540 FQPDWSZDRPZFLL-GOSISDBHSA-N 323.436 4.265 0 40 DIAB CC(C)OC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 225422914 ISGVWZLFZBGQQM-UHFFFAOYSA-N 304.777 4.231 0 40 DIAB CC[C@H](CNC(=S)Nc1cccc(F)c1)Cc1ccccc1 225631159 MKHUAPNOSPOJAI-AWEZNQCLSA-N 316.445 4.381 0 40 DIAB O=C(c1ccc(F)c(C(F)(F)F)c1)C(Cl)(Cl)Cl 575360808 ISGNTAWRERNWPJ-UHFFFAOYSA-N 309.473 4.397 0 40 DIAB CC[C@H]1CCc2c(sc3ncnc(N4CCC(C)CC4)c23)C1 89227 MKEYDNJPUKCPJA-ZDUSSCGKSA-N 315.486 4.443 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 178364 UALPZQPQEPEJKN-UHFFFAOYSA-N 320.348 4.093 0 40 DIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1Cl 516122 WGWPQGQMPVAACL-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB Cc1ccc(C(=O)Nc2cccc(Br)c2)c(C)c1 557936 IJOXRYYEEGVBJV-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1cc(CNC2CCCC2)ccc1OCc1ccccc1 819555 ASZHZNMSQAXDIS-UHFFFAOYSA-N 311.425 4.306 0 40 DIAB COc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 2271026 HCAAXEIAGZARHK-OAQYLSRUSA-N 304.389 4.174 0 40 DIAB CCCOc1ccc(C(=O)[C@H](CN(C)C)c2ccccc2)cc1 3068306 XPCSEUAVZBRTEN-LJQANCHMSA-N 311.425 4.004 0 40 DIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1 3383248 XFSWPJZFZRSCPF-LLVKDONJSA-N 321.829 4.468 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 3561820 QFVPSGSAXQIFRE-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1csc2c1CCCC2 4338962 STZQLEPZNQIXPO-UHFFFAOYSA-N 314.435 4.489 0 40 DIAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3F)C(=O)O2)cc1 4588351 FPUFIYAOYBUUNX-ATVHPVEESA-N 323.367 4.468 0 40 DIAB CC(/C=C1\N=C(c2ccc(F)cc2)OC1=O)=C\c1ccccc1 4588815 FTMQFRFRWJMADO-YMGXUNRSSA-N 307.324 4.117 0 40 DIAB CCOc1ccc(-c2oncc2-c2ccc(OC)cc2)c(O)c1 5451848 HVFHFRLESFOZOQ-UHFFFAOYSA-N 311.337 4.122 0 40 DIAB biogenic C=CN1CCN(c2ccccc2)[P@]1(=O)Oc1ccccc1 6002617 JXXAMGMQTICQRW-OAQYLSRUSA-N 300.298 4.139 0 40 DIAB CCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 6811473 VRPFWCMIXIYPEE-UHFFFAOYSA-N 322.364 4.383 0 40 DIAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1cccc(F)c1 7603976 OSYYVSHQWMZRLO-UHFFFAOYSA-N 324.735 4.155 0 40 DIAB CC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 8034336 HKJXQJVDLMVNIR-UHFFFAOYSA-N 303.361 4.224 0 40 DIAB O=C(CC1CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 8314300 QOMLCAGFPAIMGK-UHFFFAOYSA-N 301.386 4.247 0 40 DIAB CCn1/c(=N\C(=O)c2ccccc2)sc2cccc(Cl)c21 12180918 DZIKYCKPDSTRGS-FBMGVBCBSA-N 316.813 4.117 0 40 DIAB CC[C@H](C)[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 12743751 URHSHUWATLGRQD-IFXJQAMLSA-N 324.424 4.413 0 40 DIAB Cc1cccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12745048 DYWWHBMETRDCBZ-OAHLLOKOSA-N 316.401 4.493 0 40 DIAB C[C@@H](NC(=O)N1CCc2sccc2C1)c1ccccc1Cl 12772664 OCIXVENQLBICGT-LLVKDONJSA-N 320.845 4.230 0 40 DIAB CCCCN(C(=O)c1ccc(C)cc1)c1ccc(C(=O)O)cc1 16638771 VGDGLWKTMYBQJU-UHFFFAOYSA-N 311.381 4.140 0 40 DIAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCCC2)o1 27984066 JHKSDWYGLRUTBY-UHFFFAOYSA-N 320.392 4.281 0 40 DIAB CCCCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 30755289 IUOXIEGQZHGPSV-UHFFFAOYSA-N 322.452 4.169 0 40 DIAB COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(Cl)c2)cc1 32609778 AXMGSDNFSPAOOD-JTQLQIEISA-N 322.767 4.370 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1 32759163 NEGSXSGOEFJMOV-CYBMUJFWSA-N 310.372 4.058 0 40 DIAB CC(=O)c1nc2ccccc2n1CCCCOc1ccccc1 41058300 MBDIPPGWTFTGKV-UHFFFAOYSA-N 308.381 4.098 0 40 DIAB O=C(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1C(F)(F)F 43879345 LDUOFKAZKGAMHJ-GHMZBOCLSA-N 314.303 4.169 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC)c1 44886264 IJFQCXBGGVAKQU-GOSISDBHSA-N 313.397 4.108 0 40 DIAB CN(C(=O)c1cnc(-c2ccccc2)s1)C(C1CC1)C1CC1 50399959 KGAJSSKNAMKUCF-UHFFFAOYSA-N 312.438 4.071 0 40 DIAB Cc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1C 59472445 PSQQQEMXAHMBDM-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB Cc1cnc(C(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C)cn1 72302990 FLPKLPRRYKNLOE-KRWDZBQOSA-N 319.493 4.488 0 40 DIAB CC[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1nccs1 95409955 FNYXSIMXHPBKSB-YPMHNXCESA-N 319.430 4.122 0 40 DIAB COc1ccc(C(F)(F)F)cc1-c1cc(Cl)nnc1C 95629682 YETKXYDWPRKFRK-UHFFFAOYSA-N 302.683 4.133 0 40 DIAB c1ccc([C@H]2CN(C[C@@H]3CCCCO3)Cc3ccccc32)cc1 95947996 BIWSCYRZAJFDGR-PZJWPPBQSA-N 307.437 4.203 0 40 DIAB CCc1cnc([C@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)s1 95968984 OZBQXVAJJNGJFW-RYUDHWBXSA-N 317.458 4.076 0 40 DIAB O=C(CC[C@@H]1CCCO1)Nc1ccccc1CCC(F)(F)F 96462304 YZGWMICJPJTPKR-ZDUSSCGKSA-N 315.335 4.079 0 40 DIAB Cc1ccc(-c2c/c(=N\CC(=O)O)c3cc(C)cc(C)c3o2)cc1 101094438 VNONFFWYMIQVSN-HEHNFIMWSA-N 321.376 4.010 0 40 DIAB C[C@H](NC(=O)c1cccc(-n2cccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107326989 UGLVUBDQRNMGLP-FPXQBCRKSA-N 308.425 4.032 0 40 DIAB Cc1cc(OCC(=O)NC(C(C)C)C(C)C)cc(C)c1Cl 218918227 POFZFNRWMXSNCK-UHFFFAOYSA-N 311.853 4.132 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)COc1cccc2c1CCCC2 223235307 SDZNTNMWRCVMLM-MRXNPFEDSA-N 323.436 4.130 0 40 DIAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCC2 223252056 VKGNIZRUYXSQIL-CQSZACIVSA-N 311.400 4.124 0 40 DIAB CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225740328 PWNJGBTVWOTKFP-GOSISDBHSA-N 307.434 4.236 0 40 DIAB O=C(NCc1cncc(-c2ccco2)c1)c1cc2ccccc2o1 575618149 JQNNAGHSJOVOQV-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB Cc1cccn2cc(-c3cccc(NC(=O)CC(C)C)c3)nc12 203140 BRUWTAQFCVSVJO-UHFFFAOYSA-N 307.397 4.294 0 40 DIAB CC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 489348 HTHAQUXWPAMGNA-LJQANCHMSA-N 321.461 4.250 0 40 DIAB CCC[C@@H](C)NC(=O)COc1ccc(Cl)c2ccccc12 2621985 UHQKECIGKBWRRF-GFCCVEGCSA-N 305.805 4.177 0 40 DIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1 3299325 PWDTXAVYMHNRCQ-UHFFFAOYSA-N 311.410 4.111 0 40 DIAB CCN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 3361113 XKTIAGYVQNGCHQ-UHFFFAOYSA-N 311.406 4.055 0 40 DIAB CCC[C@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)OC[C@H]1CC 4777613 BOADCXBIQVHDFM-ZXIHIIQKSA-N 312.793 4.309 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 5442803 FTSMFYCOJXCORG-IBGZPJMESA-N 323.436 4.383 0 40 DIAB CCN1c2ccccc2NC(=S)c2c(-c3ccccc3)n[nH]c21 5742069 RPLNRJMURRFZDQ-UHFFFAOYSA-N 320.421 4.336 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl 8750723 HPFDRLLLYMDFEJ-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1 11692494 YLIYGVKRAJATFU-LJQANCHMSA-N 324.424 4.257 0 40 DIAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12532188 RRBQZGOPYXKXID-OAHLLOKOSA-N 320.396 4.063 0 40 DIAB Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1Cc1ccco1 12764671 LBLDQIQIOJBXBF-UHFFFAOYSA-N 312.344 4.138 0 40 DIAB CC(C)Cn1c(=N)n(CCCOc2ccccc2)c2ccccc21 19901273 YYXDMGYYVUZBSX-UHFFFAOYSA-N 323.440 4.047 0 40 DIAB COc1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1 19908981 JUKAFDSJLWIQNQ-LBPRGKRZSA-N 320.230 4.309 0 40 DIAB CCCCc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 25052645 YACGAOPMTYMVKA-SFHVURJKSA-N 312.388 4.252 0 40 DIAB Cc1ccc(C)c(CC(=O)NCCCc2ccccc2Cl)c1 30868112 PERKGDXWMBAHBE-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(O)cc1 32721288 DKAVYQCDGCUFLZ-UHFFFAOYSA-N 309.390 4.276 0 40 DIAB CC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 36043325 DFQIPZIKAWWOOR-TVWVXWENSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro O=Cc1ccccc1OC(=O)/C=C/c1cccc2ccccc12 36636096 PEYXTYPJKSNZKC-OUKQBFOZSA-N 302.329 4.271 0 40 DIAB COc1ccccc1-c1ccccc1CN(C)Cc1cc(C)[nH]n1 36752893 TVGRGEXIPXUVIW-UHFFFAOYSA-N 321.424 4.026 0 40 DIAB Clc1cc(CNCCCCc2ccccc2)cc2c1OCO2 40019959 QIGCHAATGKOPFM-UHFFFAOYSA-N 317.816 4.181 0 40 DIAB CC[C@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 40095202 ZMUPZQVBIYEBCY-NSHDSACASA-N 311.223 4.103 0 40 DIAB O=C(NCc1ccccc1Cl)Nc1ccc(F)c(F)c1F 40097402 QSMRQEXWMXQXGK-UHFFFAOYSA-N 314.694 4.079 0 40 DIAB Cc1cc(C)cc(Oc2cc(CNC(=O)C(C)(C)C)ccn2)c1 40107652 FEQWBFCCAJEXON-UHFFFAOYSA-N 312.413 4.153 0 40 DIAB O=C(Nc1ccc(Cl)c(F)c1)c1ccc(Br)o1 44318021 QTKIIIHEVRLJGD-UHFFFAOYSA-N 318.529 4.087 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838689 VPZGNICPHWXKPJ-CQSZACIVSA-N 319.408 4.245 0 40 DIAB CC(C)(C)c1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 45920372 WBNOLGNRGBWJCK-UHFFFAOYSA-N 318.380 4.373 0 40 DIAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 47219389 AKKANLAAPVNAHV-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 72297295 WEMGKQSNWHQMJB-LSDHHAIUSA-N 318.486 4.329 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N2CCC23CCC3)ccc1C(C)C 72311367 YWAGBWFRLVZVEX-HNNXBMFYSA-N 301.430 4.041 0 40 DIAB Cc1cc2nc(-c3ccc(N)cc3Br)oc2cc1C 73639323 YEMDOERZJNZCHL-UHFFFAOYSA-N 317.186 4.456 0 40 DIAB O=C(c1ccccc1Cl)N1CCC(c2cccs2)CC1 75157016 PGNNEFYYESMPDG-UHFFFAOYSA-N 305.830 4.421 0 40 DIAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccncc2)o1 75544134 NZWARFWYGYKYPN-CJNGLKHVSA-N 313.401 4.242 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 78954105 XLNCYVIHCQOVSB-WQVCFCJDSA-N 318.465 4.266 0 40 DIAB Cc1ccoc1C(=O)NCC(c1ccccc1)c1ccccc1 84251135 GWLKYBASUGWHND-UHFFFAOYSA-N 305.377 4.150 0 40 DIAB CCOc1cc(CO)c(Cl)cc1OCc1ccc(C)cc1 95095057 DIPNJQWJRKNKRN-UHFFFAOYSA-N 306.789 4.118 0 40 DIAB C[C@H](N[C@H](C)c1nc2cc(Cl)ccc2[nH]1)c1ccncc1 95427060 ZTAAURZINKAKGE-WDEREUQCSA-N 300.793 4.023 0 40 DIAB C[C@H](C(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1cccs1 95961553 DVGUAYHSWVYBJY-SMDDNHRTSA-N 305.830 4.479 0 40 DIAB CCC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cnc(C)s2)cc1 96485579 WDCGXGQBNOFSSI-RYUDHWBXSA-N 317.458 4.212 0 40 DIAB O=C(O)c1scc(Cl)c1OCc1ccccc1Cl 96510964 HMNULMUVGLDMLS-UHFFFAOYSA-N 303.166 4.332 0 40 DIAB Cc1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1 98175392 VTFDCXPRRXEVIY-UHFFFAOYSA-N 308.378 4.067 0 40 DIAB CC1(C)[C@@H]2CC[C@]1(Br)c1nc3ccccc3nc12 137279363 XAACBLJUIAGXCN-PSLIRLAXSA-N 303.203 4.137 0 40 DIAB Cc1ccc(CC(=O)NCCCc2ccccc2Cl)cc1C 218804387 XRQZCCACSZEDBZ-UHFFFAOYSA-N 315.844 4.248 0 40 DIAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1 225087383 SWQKSGZTWJBQAJ-CQSZACIVSA-N 311.164 4.068 0 40 DIAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cccs1)CC(C)(C)O2 225259136 MBLUJNBQXLEFOG-HNNXBMFYSA-N 315.438 4.018 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccccc1Cl 225443952 ZKILXNLZZVPQLX-UHFFFAOYSA-N 301.817 4.020 0 40 DIAB Cn1cccc1CN(C(=O)c1cc2ccccc2s1)C1CC1 225617440 OPZDBGSUICDFIX-UHFFFAOYSA-N 310.422 4.045 0 40 DIAB CN(c1c(Cl)cc(N)cc1Br)C1CCCCC1 226316854 LDFHLPVXRWMRME-UHFFFAOYSA-N 317.658 4.454 0 40 DIAB Cc1ccc(C)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 325398 FHGXBFMPPIFOTQ-MHWRWJLKSA-N 311.768 4.301 0 40 DIAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 382639 OXYXZYAFJYTEHV-CYBMUJFWSA-N 319.857 4.445 0 40 DIAB Cc1ccccc1-n1cc(-c2ccc3c(c2)OCO3)[nH]c1=S 424441 IWWMUDQPGUDWMB-UHFFFAOYSA-N 310.378 4.239 0 40 DIAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 426450 BPHALIMLDSMYIE-UHFFFAOYSA-N 315.380 4.122 0 40 DIAB O=C(OCCn1c(=S)sc2ccccc21)c1ccccc1 1709643 GBNWQUSKWYWHPS-UHFFFAOYSA-N 315.419 4.289 0 40 DIAB CC1=C([C@@H](C)O)CC[C@@H]2[C@H]1C[C@@H]1[C@@H]2CC[C@H]2C[C@@H](O)CC[C@@]21C 4744209 YSSGDUVIZMUPCF-HWTUNMGVSA-N 318.501 4.307 0 40 DIAB Clc1ccc(OCc2nnc(-c3cccnc3)o2)c(Cl)c1 5513930 CZTDGOINBJBRGL-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB Cc1ccc(N/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 5798813 RUXKHYMPICAVDL-WJDWOHSUSA-N 324.405 4.144 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 6356057 ZOHVSEXZWRMRLF-WNRNVDISSA-N 319.489 4.203 0 40 DIAB Cc1ccccc1OCCC(=O)Nc1ccc(OC(F)F)cc1 7407115 BALDSLJRNSJYBF-UHFFFAOYSA-N 321.323 4.004 0 40 DIAB C1CCC(CCc2nnc3n2N=C2CCCC[C@H]2S3)CC1 8342586 OBZHEUGGSQYVOW-CQSZACIVSA-N 304.463 4.043 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C 8558158 ITUJHJWSCKNUJC-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB O=C(c1cc2c(s1)CCCCC2)N1CCc2sccc2C1 12215954 HPMBXSXENNWURR-UHFFFAOYSA-N 317.479 4.277 0 40 DIAB Cc1ccc(-c2nc(NC[C@H]3CCCO3)sc2C)cc1C 12601648 KIZYYBKKLRMZKW-OAHLLOKOSA-N 302.443 4.326 0 40 DIAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc2cccnc12 12798534 SUBVCDQNVHTNIP-AYJWMTRPSA-N 314.388 4.226 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)CCCC2 12987391 HBTMFDQZQKVNTC-AWEZNQCLSA-N 309.409 4.065 0 40 DIAB CCOc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1OCC 23435746 MEXADHXGHUMTGZ-LBPRGKRZSA-N 319.426 4.037 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 26501709 XYJFACOAPYGLJY-STQMWFEESA-N 303.402 4.184 0 40 DIAB CN(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 30755319 MIXPVODNWKJGTE-UHFFFAOYSA-N 305.830 4.091 0 40 DIAB Cc1nc(-c2ccccc2)n(Cc2c(F)cccc2Cl)n1 58180047 YJRSKFCJMMRZKC-UHFFFAOYSA-N 301.752 4.094 0 40 DIAB Cc1csc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)n1 58393547 GWIUERMLGTXNHA-UHFFFAOYSA-N 323.421 4.440 0 40 DIAB CSc1ccccc1C(=O)N1CCC(c2cccs2)CC1 75157029 MUJYHIRWYBKHSS-UHFFFAOYSA-N 317.479 4.490 0 40 DIAB CC(C)c1nc(C[S@@](=O)[C@H](C)c2ccc(F)cc2)cs1 84631044 CDPYAFQHVQENRQ-GIPWTMENSA-N 311.447 4.416 0 40 DIAB CC[C@@H](NC(=O)C(F)=C(C)C)c1ccccc1OC(F)F 89947925 ISCBORUXCFHGPP-LLVKDONJSA-N 301.308 4.119 0 40 DIAB CC(C)c1nnc(COc2ccc3oc4c(c3c2)CCCC4)o1 131624060 XGQYVABYBIAEGV-UHFFFAOYSA-N 312.369 4.397 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 219946518 QHJSNJJHPBKCTN-UHFFFAOYSA-N 323.348 4.170 0 40 DIAB Cc1nc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c2sccn12 257297919 RJIHWPNKSQEKLV-LBPRGKRZSA-N 321.446 4.166 0 40 DIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1ccc(F)c(F)c1 390832028 WSAACMCDSHJHEL-UHFFFAOYSA-N 313.303 4.155 0 40 DIAB O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1 79735 AUHKJUTZZQZQOW-UHFFFAOYSA-N 310.784 4.020 0 40 DIAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)C1CCCCC1 1002257 MFJXBDAXMYTNLV-UHFFFAOYSA-N 317.820 4.104 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)CCCc2ccccc2)cc1 1456719 SYKOHTPWGQLRIF-INIZCTEOSA-N 311.425 4.285 0 40 DIAB CN(Cc1ccccc1)Cc1ccccc1[C@@H](O)c1ccccc1 1632677 LCBITDWMTQEONN-QFIPXVFZSA-N 317.432 4.400 0 40 DIAB Cc1ccc(NC(=O)/C=C/c2ccco2)c(Br)c1 3070298 XXXXJFFPXNSNNF-FNORWQNLSA-N 306.159 4.002 0 40 DIAB COc1ccc2oc(C(=O)Nc3cccc(C(C)=O)c3)c(C)c2c1 3517083 LNXSHLYDQKMJRO-UHFFFAOYSA-N 323.348 4.205 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(F)c1F 3561378 UGAXQUPMHABLCX-UHFFFAOYSA-N 315.678 4.018 0 40 DIAB CCOc1ccccc1/C=C1\N=C(/C=C\c2ccccc2)OC1=O 5328244 OPHWBTXQDRYMNW-WVPYDLLPSA-N 319.360 4.095 0 40 DIAB N=C1S/C(=C\c2ccco2)C(=O)N1c1cccc2ccccc12 6603263 SDEZJSVNXZIQHW-DSGQZADNSA-N 320.373 4.488 0 40 DIAB CC(=O)Nc1ccc(-c2nc(-c3ccc(O)cc3)sc2C)cc1 8297658 OVNXIPZABKGFRI-UHFFFAOYSA-N 324.405 4.450 0 40 DIAB Cc1ccc2[nH]c(SCc3ccc(-n4cccn4)cc3)nc2c1 8458510 OHNPQVFOLPGFOL-UHFFFAOYSA-N 320.421 4.349 0 40 DIAB Cn1c(SCc2ccc(-n3cccn3)cc2)nc2ccccc21 8461285 WTHQKEOVEJEKHX-UHFFFAOYSA-N 320.421 4.051 0 40 DIAB CC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 8986701 XTUMXMNNKZFBQC-UHFFFAOYSA-N 317.801 4.213 0 40 DIAB CC(C)Oc1ccc(C(=O)Nc2ccc3scnc3c2)cc1 10217545 JNQBAGSHRFYSBP-UHFFFAOYSA-N 312.394 4.336 0 40 DIAB CCCc1nc2c(c(C)c(C)n2Cc2cccnc2)c(N)c1CC 12324232 NKZIUDLPWMHTDS-UHFFFAOYSA-N 322.456 4.194 0 40 DIAB CC(C)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 13002906 GKPWQVHWHWKPRP-UHFFFAOYSA-N 319.408 4.177 0 40 DIAB Fc1ccc(CN(Cc2cccnc2)Cc2ccsc2)cc1 13569154 NXVZYARNZPXCLE-UHFFFAOYSA-N 312.413 4.485 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)n[nH]2)cc1 14206520 WEZKNXQVSJWTDA-UHFFFAOYSA-N 305.381 4.254 0 40 DIAB COC[C@@H](C)n1c(C)cs/c1=N\c1ccc(Cl)c(F)c1 15635046 NYPQBTAPLKBABA-OZEFSGHTSA-N 314.813 4.090 0 40 DIAB Cc1cccnc1NC(=O)c1cccc(Oc2ccccc2)c1 18231154 YAINLBBJHMEATA-UHFFFAOYSA-N 304.349 4.435 0 40 DIAB CNCc1ccc(-c2ccc(Br)cc2Cl)o1 20875638 XEQUTPSTLSVFSY-UHFFFAOYSA-N 300.583 4.082 0 40 DIAB CCc1cc(C(=O)NCc2nc3ccccc3s2)sc1C 23424477 DHTBVRLSQFFDCT-UHFFFAOYSA-N 316.451 4.159 0 40 DIAB COc1cccc(C(=O)NC2CCC(c3ccccc3)CC2)c1 25097667 PEJSKJQUHGUZRB-UHFFFAOYSA-N 309.409 4.151 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc3ccccc3s2)C1(C)C 25155209 NCZIUHKCUFIPEF-LRDDRELGSA-N 314.454 4.151 0 40 DIAB COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2C)cc1 27795704 BZXBENAUOQGZGD-UHFFFAOYSA-N 321.376 4.444 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 30757967 XMYSRLRDWKTKON-VQIMIIECSA-N 323.436 4.265 0 40 DIAB O=C(NCc1ccc(Cl)cc1)c1[nH]c2ccccc2c1Cl 40142840 UIFWWKDJURVWND-UHFFFAOYSA-N 319.191 4.405 0 40 DIAB O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)[C@@H]1CC=CCC1 40156303 VJCQGLUGVSPRQL-MRXNPFEDSA-N 321.424 4.181 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(=S)[nH]c1 72216996 BVVLKNAHHAFUOY-OAHLLOKOSA-N 314.410 4.218 0 40 DIAB O=CN1CCCC[C@@H]1c1cccnc1SC1CCCCC1 72217334 OFCUBOUMTVORRC-MRXNPFEDSA-N 304.459 4.190 0 40 DIAB C[C@H](N[C@H](C)c1ccncc1)c1nc2cc(Cl)ccc2[nH]1 95427059 ZTAAURZINKAKGE-MNOVXSKESA-N 300.793 4.023 0 40 DIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc3ccccc3c(N3CCOCC3)c12 100020354 RRCATOLXLWQNMY-BTYIYWSLSA-N 322.452 4.246 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100892279 LUYZKGYQJBGNGT-ROUUACIJSA-N 319.832 4.372 0 40 DIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc2ccccc2c1 222794570 VHOWPCMVSVKLMV-INIZCTEOSA-N 319.404 4.232 0 40 DIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cccs1 222954765 AAGOGGSGLBNTPI-VIFPVBQESA-N 322.227 4.102 0 40 DIAB CCC[C@H](C(=O)OC)N1c2ccc(C)cc2C(C)=CC1(C)C 223217823 MOXKYNRDWWQDQT-QGZVFWFLSA-N 301.430 4.339 0 40 DIAB CCOc1ccc(C(=O)NC)cc1CSc1ccc(C)cc1 224658815 NAQTXKWJHWWPAY-UHFFFAOYSA-N 315.438 4.046 0 40 DIAB CCOCc1cc(C(=O)NC2CCCCCC2)ccc1OCC 224692447 YNEWVSZAIXTVJA-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225632548 UZIKQJLTXKYPGE-INIZCTEOSA-N 323.436 4.071 0 40 DIAB Cc1cccc(C2(NC(=S)Nc3cccnc3)CCCC2)c1 225873838 ARWFJLBUZURXQY-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB COc1ccc2c(ccn2-c2cc(N)cc(C(F)(F)F)c2)c1 228935801 NBEVBWHGMQSHMQ-UHFFFAOYSA-N 306.287 4.240 0 40 DIAB CCc1cnccc1-c1noc(C[C@@H](C)c2ccccc2C)n1 547150192 CWINMFYUFBNRRM-CQSZACIVSA-N 307.397 4.349 0 40 DIAB C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](c2cccnc2)C1 585089630 PQXQLPRCMBCFEJ-MAUKXSAKSA-N 300.446 4.004 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)c1c(O)[o+]c2ccccn12 819022 DBXSVSMRGIXWPC-UHFFFAOYSA-O 309.128 4.057 0 40 DIAB Cc1cccc2cc3c(NC(=O)C(C)C)nn(CC(C)C)c3nc12 1315012 HJAJTJVUWAWOQT-UHFFFAOYSA-N 324.428 4.143 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 2751884 DEMVHDKDUXLXGT-UHFFFAOYSA-N 321.376 4.343 0 40 DIAB CCNC(=S)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1 3332300 RHJGIVJOMXKYFA-UHFFFAOYSA-N 316.270 4.031 0 40 DIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)s1 4063150 JMDWRSXOOKZTAC-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB aggregator O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1 4815345 JCEIHBXYGIJDLW-UHFFFAOYSA-N 309.756 4.049 0 40 DIAB Cc1c(C(=O)N[C@@H](C)c2ccccn2)oc2c(Cl)cccc12 7979412 KQTSHHSHZRTXII-NSHDSACASA-N 314.772 4.281 0 40 DIAB CSc1ccc(Cl)c(C(=O)N2CCc3ccccc3C2)c1 7988962 CRVJGNOUJXULJQ-UHFFFAOYSA-N 317.841 4.260 0 40 DIAB Cc1ccc2nc3c(cc2c1)CN(CCc1ccccc1)C(=O)O3 12236809 ARUZQVSKGGSUTG-UHFFFAOYSA-N 318.376 4.100 0 40 DIAB Cc1ccsc1-c1nnc2sc(-c3ccccc3F)nn12 12408153 GNKXRWHKAWWGMU-UHFFFAOYSA-N 316.386 4.029 0 40 DIAB C[C@@H]1CCc2ccccc2N1Cc1nc(-c2ccsc2)no1 12597778 PJDFCMHRKAWLOD-GFCCVEGCSA-N 311.410 4.139 0 40 DIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3)c12 12928181 FQFWGHUTRZMTTK-UHFFFAOYSA-N 319.320 4.044 0 40 DIAB CC(=O)c1ccc(NC(=S)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 13520128 CMTXYUCHBBPYJQ-OZVIIMIRSA-N 304.459 4.000 0 40 DIAB COCCCNCC[C@]1(CCC(C)C)CCO[C@@H](C(C)C)C1 13655135 BUASARGVQPMCPF-RTBURBONSA-N 313.526 4.260 0 40 DIAB Cc1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl 15085269 PCSCESOQIGNTHJ-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB Cc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 15199000 MQIHIQZZRVGRAH-HNNXBMFYSA-N 301.386 4.101 0 40 DIAB O=C(NCc1ccncc1)N(c1ccccc1)c1ccccc1 18194321 MBMLJBBXDCORDG-UHFFFAOYSA-N 303.365 4.130 0 40 DIAB CCCCC(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 27925179 NYYPQMJMLDOMQD-UHFFFAOYSA-N 305.809 4.271 0 40 DIAB O=C(Nc1nc2c(F)cccc2s1)c1c[nH]c2ccccc12 36695582 SLZIJYKXNSOOGB-UHFFFAOYSA-N 311.341 4.169 0 40 DIAB Fc1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 46415881 LELOUAHJLUNMIC-UHFFFAOYSA-N 312.772 4.105 0 40 DIAB Cc1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)no1 47129678 RAANRLYDUFJLFQ-INIZCTEOSA-N 317.364 4.175 0 40 DIAB COc1ccc2nc(Nc3nc4ccc(C)cc4o3)sc2c1 57352994 IVQQHSKZHYPNQL-UHFFFAOYSA-N 311.366 4.498 0 40 DIAB CC[C@@H](Sc1nnc(-c2cccnc2)n1C)c1ccccc1 58209907 MOHKUDBPKOQZQE-OAHLLOKOSA-N 310.426 4.121 0 40 DIAB CN(C)C(=O)c1oc2ccccc2c1CSc1cccs1 58316036 RDXIRFXUDRJRRX-UHFFFAOYSA-N 317.435 4.488 0 40 DIAB Cc1noc(C)c1NC(=O)c1cc(C)n(Cc2ccccc2)c1C 63489178 GQNXKHOUOGXWDG-UHFFFAOYSA-N 323.396 4.010 0 40 DIAB COc1ccc(C(=O)N(C(C)C)C2CC2)cc1-c1ccccc1 64906941 RGFCSTNUUPYEBH-UHFFFAOYSA-N 309.409 4.375 0 40 DIAB COc1cccc(OC)c1[C@@H]1CCCCN1Cc1ccccc1 72221444 FWESDVIDVZECEL-KRWDZBQOSA-N 311.425 4.431 0 40 DIAB CC(C)c1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1 75572795 GWLOEIVWYAKTAX-UHFFFAOYSA-N 323.371 4.387 0 40 DIAB Cc1nc(CNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)oc1C 79018194 OLOBZJGMNQXPDV-INIZCTEOSA-N 320.820 4.001 0 40 DIAB CN(C)c1ccc(C(F)(F)F)cc1NCc1ccsc1 83854367 NOLIDEZCMBAZHX-UHFFFAOYSA-N 300.349 4.445 0 40 DIAB CN(C(=O)c1ccc(NC2CC2)nc1)c1ccc(C(C)(C)C)cc1 84284440 RGEBCLZWKPTICK-UHFFFAOYSA-N 323.440 4.230 0 40 DIAB CC(C)c1noc([C@H](C)Sc2ccc3c(c2)OCCCO3)n1 84631100 JOOMFNHYCNYZOH-NSHDSACASA-N 320.414 4.208 0 40 DIAB Oc1ccc(CN(Cc2ccco2)c2nc3ccccc3o2)cc1 89874930 HAMKIDBTVTZHML-UHFFFAOYSA-N 320.348 4.333 0 40 DIAB Clc1nc2cc3c(cc2c(Cl)c1Br)OCO3 95098230 VSOWOTWYULZSSN-UHFFFAOYSA-N 320.957 4.033 0 40 DIAB Fc1ccc([C@H](Nc2ccc3nccnc3n2)C2CCC2)cc1 95958369 XLZQWBNBAKIELK-QGZVFWFLSA-N 308.360 4.117 0 40 DIAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(F)cc2)c(C)c1 96137048 UTQCXTKAXYYGKJ-CMDGGOBGSA-N 319.401 4.164 0 40 DIAB Cc1cc(C)c(/C(O)=C/c2nc3ccccc3oc2=O)c(C)c1 102895329 NUMBPHFVYXITRG-YBEGLDIGSA-N 307.349 4.169 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(F)c(F)c2)cc1 113969584 JLYOOHXLNXKFTD-QGZVFWFLSA-N 319.351 4.323 0 40 DIAB Cc1ccc([C@@H](C)NCc2nnc(-c3cccc(Cl)c3)o2)o1 182578336 JDUJHFHQBRSKLS-LLVKDONJSA-N 317.776 4.142 0 40 DIAB COc1ccc(-c2nnc(Cn3ccc4ccccc43)s2)cc1 199405849 UPWYMWQEUHKBCB-UHFFFAOYSA-N 321.405 4.217 0 40 DIAB CCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1C 222894185 FLIRDMYAZPWRRF-UHFFFAOYSA-N 319.404 4.477 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1ccccc1 222976464 QMAYHYIMEBDKRI-IBGZPJMESA-N 311.425 4.119 0 40 DIAB Cc1ccc(SCC(=O)NC(C)(C)Cc2ccccc2)cc1 224455489 DFLDYOPTOXSVSU-UHFFFAOYSA-N 313.466 4.225 0 40 DIAB Cc1cccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225019039 UFOHIIBUIXCPCA-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB O=C(O)[C@H](Cc1ccccc1F)Oc1ccc2ccccc2c1 225052505 POMPBYIBONOZRN-SFHVURJKSA-N 310.324 4.054 0 40 DIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)c(C)cc1C 225650735 HKZYJEXDAYWSII-HXUWFJFHSA-N 323.436 4.428 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 226304317 KKMSESNFHRSEIZ-UHFFFAOYSA-N 318.376 4.040 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 260897367 IKPGIDCIZJNNDI-PGUXBMHVSA-N 312.240 4.231 0 40 DIAB O=C(c1cc2ccccn2c1)N1CCCC[C@@H](c2ccccc2)C1 390827325 GCGWCPQOLYALEJ-GOSISDBHSA-N 318.420 4.349 0 40 DIAB Cc1c(-c2ccccc2)[nH]c2cc(Br)ccc2c1=O 685938206 GGAVJMRRVBCQRE-UHFFFAOYSA-N 314.182 4.266 0 40 DIAB Cc1cc(C)cc(OC(=O)c2ccc(Br)cc2)c1 129727 ICAGJSVMSUBEKL-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)OC(C)C 420920 RYZNTARMEIVATF-UHFFFAOYSA-N 303.427 4.204 0 40 DIAB Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)C(C)C)cc1C 497479 DCSGVXLLTHTTJT-ZDUSSCGKSA-N 305.447 4.037 0 40 DIAB CCN(C(=O)c1ccco1)c1nc(-c2ccc(C)cc2)cs1 932662 RNJCYWWLOHSRFN-UHFFFAOYSA-N 312.394 4.378 0 40 DIAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2ccccc2n1 1275412 XQMBNQNNQNPSAK-UHFFFAOYSA-N 324.339 4.189 0 40 DIAB CCCC[C@H](CC)COC(=O)c1cc2ccccc2oc1=O 1597141 JZTYWEIHDMHLIO-ZDUSSCGKSA-N 302.370 4.166 0 40 DIAB Cc1cccc(-n2nc(C)c3c(C(F)(F)F)cc(C)nc32)c1 2629435 JZOSNQNUJQWSPD-UHFFFAOYSA-N 305.303 4.365 0 40 DIAB O=C(CCc1ccccc1)Nc1nc2c(F)cc(F)cc2s1 3294059 KUUPFDHYVLXLMU-UHFFFAOYSA-N 318.348 4.146 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 3849848 WYZDXEKUWRCKOB-LZBJGFFQSA-N 304.474 4.349 0 40 DIAB Cc1ccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)cc1C 4538937 NEFDEKUKKXWGMO-BQYQJAHWSA-N 322.393 4.233 0 40 DIAB CCOc1ccc(CNc2ncc(-c3ccc(C)cc3)n2C)cc1 4678438 PFLHWVXVMIABNQ-UHFFFAOYSA-N 321.424 4.406 0 40 DIAB CCOc1ccc(NC(=O)NCc2ccccc2Cl)cc1 6845037 ZGZQVQKZOYMKCW-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB O=C(CCCc1nc2ccccc2s1)NC1CCCCC1 7609056 IBAUPFRFILGZLJ-UHFFFAOYSA-N 302.443 4.068 0 40 DIAB Cc1nc2cc(NC(=O)COc3ccccc3C(C)C)ccc2o1 12748879 QCVOOFVTVNGJDO-UHFFFAOYSA-N 324.380 4.277 0 40 DIAB Cc1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 12974557 SYRABTMJYKRFMY-CYBMUJFWSA-N 310.422 4.438 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1F 16722480 UKNLSDFQXKBRDR-UHFFFAOYSA-N 323.368 4.116 0 40 DIAB CCc1cc2c(=O)n(-c3cc(C)cc(C)c3)c(=S)[nH]c2s1 17054029 PBXPFLYDAKKBRU-UHFFFAOYSA-N 316.451 4.289 0 40 DIAB Fc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 19345307 MUCQFJCRMQYRMZ-OAHLLOKOSA-N 309.388 4.082 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20025550 ACDPURJJQHSWAS-CYBMUJFWSA-N 315.438 4.217 0 40 DIAB CC(=O)c1cccc(NC(=O)CCSc2ccccc2F)c1 21675323 VJDNNKPVJSEPCU-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB Cc1noc(C)c1COC(=O)c1cc2c(F)cccc2s1 24728160 QOQLHFSRSCRZOB-UHFFFAOYSA-N 305.330 4.002 0 40 DIAB CSc1ccc([C@H](C)NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 31693506 PQJMMSMHDJIGSC-ZANVPECISA-N 318.269 4.170 0 40 DIAB Cc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(Cl)c1 32496973 UBOBDHWAOYRSQT-UHFFFAOYSA-N 323.820 4.402 0 40 DIAB O=C(c1cccc(-c2nc3ccccc3o2)c1)N1CCCCC1 41127521 YQIBLBCFVMHVTL-UHFFFAOYSA-N 306.365 4.121 0 40 DIAB CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 47452658 JOBMMUWJHLRXCZ-UHFFFAOYSA-N 322.330 4.019 0 40 DIAB in-vitro NC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 57327672 KWZPDWKGFGQWDL-UHFFFAOYSA-N 323.192 4.083 0 40 DIAB CCCc1ncc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 57823110 ZZYJDNKNXFEXKA-UHFFFAOYSA-N 315.848 4.252 0 40 DIAB CCn1c([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)nc2ccccc21 69514632 FJKAGFYSRFYPFS-CRAIPNDOSA-N 323.440 4.076 0 40 DIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc2[nH]ccc12 72401192 FYYOWEBLDCXUBK-UHFFFAOYSA-N 302.736 4.142 0 40 DIAB Brc1ccc(CN2CCc3ccccc3CC2)cc1 79574447 SDAIGPBEMJNHBH-UHFFFAOYSA-N 316.242 4.050 0 40 DIAB O=C(C[C@@H]1CCC[C@H](C(=O)O)C1)c1ccc(C(F)(F)F)cc1 91676187 RENRMPYCHNGXOQ-PWSUYJOCSA-N 314.303 4.169 0 40 DIAB CSc1cccc([C@H](O)c2ccccc2Br)c1 95730156 JJPJUFPAMJCTGW-AWEZNQCLSA-N 309.228 4.253 0 40 DIAB Cc1csc(CN(C)[C@@H](C)c2ncc(-c3ccccc3)o2)n1 96421152 JUGZZFFLFNHQMK-ZDUSSCGKSA-N 313.426 4.300 0 40 DIAB Cc1noc2c1[C@@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 102739627 BJZJSCSLARWSIL-OAHLLOKOSA-N 309.369 4.228 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 113960087 KCSQGEQERYZAIV-SJORKVTESA-N 311.425 4.257 0 40 DIAB CCOc1ccc(CNc2cccc3cccnc23)cc1OC 120109645 ZFMWHSBUEPZXRG-UHFFFAOYSA-N 308.381 4.254 0 40 DIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225695219 QFHBPUSXNQZMHA-MRXNPFEDSA-N 313.825 4.273 0 40 DIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)cc1 225748410 ASHLXJHLYRWZKK-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 260529692 YFEYXLOOTCLWQB-OYSPMZIOSA-N 323.436 4.302 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3ccc(F)cc3)nn2)cc1C 408527424 FHQQPRVVNGXCTL-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB CCc1ccc(NC(=O)CSC(=O)c2ccccc2C)cc1 112098 FDOUNLFHOAAYBR-UHFFFAOYSA-N 313.422 4.070 0 40 DIAB COc1cccc(OC)c1C(=O)Oc1ccc(C(C)(C)C)cc1 143344 ZYOCKXVFPPOVPQ-UHFFFAOYSA-N 314.381 4.221 0 40 DIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)cccc1F 180441 LBKVBBNSZRTONZ-UHFFFAOYSA-N 324.739 4.480 0 40 DIAB COc1cccc2c1OC(C)(C)N1N=C(c3cccs3)C[C@H]21 221402 PBHBGCGQAYFOHD-CYBMUJFWSA-N 314.410 4.036 0 40 DIAB O=C(Nc1ccccc1Cl)N1CCSc2ccccc21 1390788 IASWZMZMNRDQOI-UHFFFAOYSA-N 304.802 4.484 0 40 DIAB CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 3095995 GHWDRBVLCRLSQB-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB Cc1nc(NCc2ccccc2)sc1C(=O)Nc1ccccc1 3325104 KVJGRJZOBHIBFH-UHFFFAOYSA-N 323.421 4.316 0 40 DIAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccs1 3893253 RNUVLOMZPUVHCA-UHFFFAOYSA-N 317.391 4.002 0 40 DIAB CCCCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4072067 MYFKSSQSIVKHBF-UHFFFAOYSA-N 319.474 4.135 0 40 DIAB CCC(CC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4072376 HOWJUSDUQYOGSK-UHFFFAOYSA-N 309.822 4.233 0 40 DIAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 4275566 FITDEXMDUPKSTR-INIZCTEOSA-N 320.348 4.173 0 40 DIAB COc1ccc(C)c2sc(NC(=O)c3ccc(F)cc3)nc12 4292199 HTMQYXKKZNIZRV-UHFFFAOYSA-N 316.357 4.005 0 40 DIAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1 5545817 XRFDSEVICVDMDY-HNNXBMFYSA-N 321.424 4.062 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 7294652 KVHPDETZBCKZEO-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccc[nH]1 8752557 PKRSIVUJUWNGOR-UHFFFAOYSA-N 323.421 4.188 0 40 DIAB CCCCCC(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 9460263 WNZGRXBCLKOBKH-UHFFFAOYSA-N 322.405 4.477 0 40 DIAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCc2ccccc21 10449004 MFPOJDFMJFXLGZ-XDJHFCHBSA-N 315.372 4.410 0 40 DIAB COc1ccc(NC(=O)CCCC2CCCCC2)c(OC)c1 12805125 BQDGEFVKOUWMGM-UHFFFAOYSA-N 305.418 4.393 0 40 DIAB O=C(CSC1=NCCS1)c1ccc(Cl)cc1Cl 16384884 MNSQLZRROSOQFB-UHFFFAOYSA-N 306.239 4.012 0 40 DIAB CCN(Cc1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1 19074625 OKZCGQHLQPSWCQ-UHFFFAOYSA-N 324.211 4.442 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cn1 22471852 LUCHSROERFCZSA-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB O=C(CSCc1ccccc1F)Nc1ccccc1Cl 23410852 FQEQLHIXPJVZBN-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB Cc1ccc(C(=O)N[C@H](C)COc2ccc(C(C)C)cc2)cc1 28290933 KAODHJNSHNNNTP-MRXNPFEDSA-N 311.425 4.316 0 40 DIAB C/C1=C\CC[C@@H]2[C@@H](/C=C(\C)CC1)OC(=O)[C@@H]2CN1CCCCC1 32109694 BYFVAWVWHDPHGP-UDHTUESWSA-N 317.473 4.097 0 40 DIAB Cc1nc(-n2cccc2)sc1C(=O)NC1CCCCCCC1 33172301 DVXCUOOWJHIEDP-UHFFFAOYSA-N 317.458 4.085 0 40 DIAB Cc1nc(C(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C 65004960 GFQHSYVXDGXDFX-UHFFFAOYSA-N 320.462 4.221 0 40 DIAB c1ccc(CN2CCCC[C@H]2c2ccc(NC3CC3)nc2)cc1 72213805 FNFGSZGHMKSCRZ-IBGZPJMESA-N 307.441 4.383 0 40 DIAB Cc1cc(OCc2ccccc2)ncc1[C@H](O)c1ccccc1 72223426 SSLWOVSRZOTJMU-HXUWFJFHSA-N 305.377 4.051 0 40 DIAB O=C(CCC(F)(F)F)N1CCC[C@H]1Cc1ccccc1Cl 79723388 YMSFLJHDOIHCCQ-LBPRGKRZSA-N 319.754 4.216 0 40 DIAB CCc1cc(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)sc1C 95994001 AYZFTYPXHHOUIC-CVEARBPZSA-N 323.502 4.333 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 138184017 YFEYXLOOTCLWQB-SKWUIDRYSA-N 323.436 4.302 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(Cl)cc1Cl 222563829 JPYVKMRWRLRIHN-UHFFFAOYSA-N 322.195 4.222 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1 225021201 VPKSWWYOYRJWMB-IBGZPJMESA-N 306.361 4.223 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225278156 PGAVMOGYGAHDAI-LHHMISFZSA-N 315.457 4.191 0 40 DIAB COc1cccc2c1ccn2-c1cc(N)cc(C(F)(F)F)c1 228922895 DNEASVCTMSEPRT-UHFFFAOYSA-N 306.287 4.240 0 40 DIAB COC(=O)CCCCC(=O)OCCCCCCCC(C)C 390822377 PRDWFWXIHDHBLV-UHFFFAOYSA-N 300.439 4.260 0 40 DIAB CC[C@H](C)N1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 585100300 JVUXNZYQENGYRY-PXNSSMCTSA-N 320.521 4.212 0 40 DIAB CCN(CC)Cc1ccccc1COC(=O)/C=C/c1ccccc1 1716125 AZFOHNWKWORRRX-CCEZHUSRSA-N 323.436 4.285 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1 3303624 SCDBWROCPZMOJV-GWCFXTLKSA-N 314.401 4.153 0 40 DIAB Clc1ccc(Nc2ccc(NCc3ccccc3)nn2)cc1 4268711 FYMQMOFILXRCEY-UHFFFAOYSA-N 310.788 4.486 0 40 DIAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 4306604 NHQSOXOEHORKFB-INIZCTEOSA-N 320.348 4.173 0 40 DIAB Fc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 4667813 PCFBKYXFCVVVSW-MDZDMXLPSA-N 322.368 4.162 0 40 DIAB C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@]1(O)CCc1ccoc1 5706481 UVKYPKNCQJIGKV-UDDICAGYSA-N 318.457 4.385 0 40 DIAB C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 5873196 RNUBJZNPLIGDOB-KDOFPFPSSA-N 311.450 4.361 0 40 DIAB COc1ccc(CC(=O)Oc2ccc3ccc(OC)cc3c2)cc1 6540322 UDPKSAPQHZACOA-UHFFFAOYSA-N 322.360 4.005 0 40 DIAB COC(=O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CCCO[C@@H]21 6950753 QSMLCZPHLSTPPG-DKSSEZFCSA-N 323.392 4.108 0 40 DIAB CCCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 7409057 OLDRKKQCOADEMC-UHFFFAOYSA-N 303.427 4.057 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2ccccc2[nH]1 7984830 HHLUPYDMXNKGGK-UHFFFAOYSA-N 320.274 4.226 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)c(C)c1 12676510 OVPQPXDZFXRQED-UZLBHIALSA-N 322.452 4.371 0 40 DIAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1 12802493 QFVIMDLQVNPVLE-LLVKDONJSA-N 314.435 4.363 0 40 DIAB CSc1nc2nccc(/C=C\c3ccc(C(C)C)cc3)n2n1 12856580 PPJSEBFLROVBIK-TWGQIWQCSA-N 310.426 4.140 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc3cc(F)ccc3[nH]2)C1 13557340 OCEHOAORJKBIMH-AUUYWEPGSA-N 314.404 4.348 0 40 DIAB CC(C)C(=O)N(C)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15670865 FNNOWYKYJIUIGI-IBGZPJMESA-N 306.409 4.372 0 40 DIAB CC(C)CCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136800 AWCKWSBIGNZDBK-UHFFFAOYSA-N 321.804 4.467 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2)cc1 20264765 QWDWKXXYSSGBRO-UHFFFAOYSA-N 318.214 4.030 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)c2cc(F)cc(F)c2)cc1C 22540196 FYLQUOOEDXAVDT-ZDUSSCGKSA-N 303.352 4.381 0 40 DIAB CN(C)[C@H](CNc1nc2ccccc2s1)c1ccsc1 26720268 YWCSZDSYOMSLSW-CYBMUJFWSA-N 303.456 4.073 0 40 DIAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 27795902 MQZZXRYQVDBQBV-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cccc(C)c2)cc1 36632724 TWFFQRCCPBEOCF-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB COc1cc2ccccc2cc1C(=O)NCCSC(C)(C)C 38755636 LBBRHDCVQFNOJP-UHFFFAOYSA-N 317.454 4.110 0 40 DIAB CCc1cccc(CC)c1NC(=O)NCc1ccc(F)cc1 40098984 XRTIPUYHORZMOP-UHFFFAOYSA-N 300.377 4.272 0 40 DIAB O=C(c1cc(F)c(F)c(F)c1)c1ccccc1Br 43210238 ZTZPXSXGBGNBRD-UHFFFAOYSA-N 315.088 4.097 0 40 DIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(C)=O)c[nH]1 58218137 STEADCDEEZWMPR-IEBWSBKVSA-N 324.424 4.016 0 40 DIAB Cc1nc(OCc2ccccc2)ccc1[C@@H](N)c1ccccc1 72224475 NEYPIGSIWFNNEN-FQEVSTJZSA-N 304.393 4.017 0 40 DIAB CCn1nc(C)c(NC(=O)c2ccc(-c3ccc(C)o3)cc2)c1C 72243301 ZTBAWJBAUVJHJR-UHFFFAOYSA-N 323.396 4.341 0 40 DIAB OCc1ccc2nc(-c3ccc(Br)cc3)sc2c1 73740300 FYGULSKAVZPANB-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1 78457802 ZZMVFFYZRMCNTL-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB S=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1ccco1 84525055 HQWNUCUPZZZCAM-KRWDZBQOSA-N 308.406 4.356 0 40 DIAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Nc1ccccn1 89558893 ZVLSLKMDFINVKW-GFCCVEGCSA-N 318.446 4.195 0 40 DIAB CCCOc1c(Br)cc(F)cc1Br 90411451 GOKPDXMJCHLSOM-UHFFFAOYSA-N 311.976 4.140 0 40 DIAB in-vitro Cc1cc(C)n(C[C@@H](C)CN[C@@H]2CC(C)(C)Cc3occc32)n1 95967318 ZJNQTUBSEBZFSC-SUMWQHHRSA-N 315.461 4.032 0 40 DIAB CCOC[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 96448449 CEIJCNVKYQTAJE-UONOGXRCSA-N 322.474 4.001 0 40 DIAB Cc1cc(-c2nc3ccc(N)cc3o2)ccc1Br 100891087 VTHLAKITTNCJAW-UHFFFAOYSA-N 303.159 4.148 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102026807 KPJXVODWPNPRQB-DGTMBMJNSA-N 315.463 4.089 0 40 DIAB COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 104270560 PSWCBSBDTUQQIX-TYPHKJRUSA-N 311.469 4.164 0 40 DIAB CCc1c(-c2ccc(C)cc2C)nn(Cc2ccccc2)c1N 199750019 BQLRCWQMUCYGFT-UHFFFAOYSA-N 305.425 4.360 0 40 DIAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 219848658 KSKOGSJHDSCVET-UHFFFAOYSA-N 322.452 4.467 0 40 DIAB COc1cc(C)c([C@@H](C)NC(=O)C2CCCC2)cc1C(C)C 223375634 YZXJFWMMULLLCV-CQSZACIVSA-N 303.446 4.494 0 40 DIAB COc1ccc(Cl)cc1C(=O)NCCCc1ccc(C)cc1 225038953 ZOHRFFKPPUICIO-UHFFFAOYSA-N 317.816 4.020 0 40 DIAB CCc1ccccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225040998 NLEMBPNCNPZPRE-FQEVSTJZSA-N 320.388 4.477 0 40 DIAB CC[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(OC)cc1 225487654 FJZBLJAQTKTUQU-INIZCTEOSA-N 318.417 4.272 0 40 DIAB CCOC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225646859 IFQSTLGWVXVZCP-UHFFFAOYSA-N 313.397 4.019 0 40 DIAB COc1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225655527 ZCQQJZXBEGESCI-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)NC1CCCCC1 1400369 AFSBMHSJFMHJBR-UHFFFAOYSA-N 317.763 4.069 0 40 DIAB CCCCC[C@@H]1OC[C@@]2(COC(C)=O)[C@@H](C)C=C(C)[C@H]1[C@H]2C 2124177 PXYJMKXLGSFPLG-PTIUUAQKSA-N 308.462 4.363 0 40 DIAB biogenic O=C(/C=C/c1ccco1)N[C@H](Cc1ccccc1)c1ccccc1 2910436 RBTPVRPQCKOBLP-FBRRREGBSA-N 317.388 4.393 0 40 DIAB O=C1N[C@H](c2ccc(Oc3ccccc3)cc2)Nc2ccccc21 3241084 IGZBXTSDZBGWQI-LJQANCHMSA-N 316.360 4.333 0 40 DIAB CCCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 4034374 FXIYVWXCOHHGFH-UHFFFAOYSA-N 309.369 4.409 0 40 DIAB O=C(/C=C/c1ccccc1)N1CCS[C@@H]1c1ccc(F)cc1 4489653 DEOIYWFMEDYBSX-PMQIGOLDSA-N 313.397 4.113 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc3ccccc3c2)c1 5292625 SMWVCLXAEXTCAN-UHFFFAOYSA-N 305.377 4.474 0 40 DIAB Cc1ccc(Nc2ncnc3sc4c(c23)CCCC4)c(O)c1 5687636 SEAFQIQNGDBAAF-UHFFFAOYSA-N 311.410 4.328 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 6331209 GZUHDNOIYISDGC-UHFFFAOYSA-N 321.632 4.288 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C 6355907 ZOHVSEXZWRMRLF-ZJPYXAASSA-N 319.489 4.203 0 40 DIAB COc1ccc2c(O)c(-c3c(C)cc(C)cc3C)c(O)nc2c1 6493719 QPOLJLHVQGFXLM-UHFFFAOYSA-N 309.365 4.247 0 40 DIAB CCc1ccc2[nH]c(C)c(CC(=O)N[C@@H](C)c3ccccc3)c2c1 6710316 MSYDXDAUGRTPNZ-AWEZNQCLSA-N 320.436 4.459 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)c1 8429132 TVKHLYKYFQWEAF-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB COc1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8700904 LPVUHBUXKXUDGB-UHFFFAOYSA-N 314.429 4.022 0 40 DIAB CCC(CC)C(=O)Nc1ccccc1SCCCC(=O)O 8732890 HFBBYDDVPXBMEG-UHFFFAOYSA-N 309.431 4.018 0 40 DIAB O=C(CCSc1ccc(Cl)cc1)c1cccc2c1OCO2 8773171 OIKFFOVPNCEUBS-UHFFFAOYSA-N 320.797 4.434 0 40 DIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cc1C 12344472 ICUCMPJTVQKTAM-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1CC=CCC1 12548973 IELLZMZGQFYGHZ-CQSZACIVSA-N 309.413 4.058 0 40 DIAB CC(=O)Nc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1 14471565 WLBILOPZCPNPSY-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)cc1F 17743186 NAOIWJUTEYQMQR-VIFPVBQESA-N 308.353 4.178 0 40 DIAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCCCC2)s1 19819504 PPNMJQMJPPSRLM-UHFFFAOYSA-N 320.483 4.125 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 30858310 AQKIGNISJJKSMI-CQSZACIVSA-N 317.816 4.213 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)COc1ccccc1Cl)C2 32666564 HZUDWFYGQNPAEI-MRAWALMUSA-N 321.848 4.050 0 40 DIAB COC(=O)c1c(CCc2ccc3ccccc3c2)cccc1OC 35973623 XNAFTVOETCGYLR-UHFFFAOYSA-N 320.388 4.420 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccncc1 36661928 SZWQSFJMTVMDNI-HNNXBMFYSA-N 320.314 4.078 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cc3c(cc2C)OCCCO3)c1 46077745 HMNVJDKJVSVPQI-UHFFFAOYSA-N 311.381 4.025 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)c1nccc2ccccc12 63475428 ZKLCAOSUWZNCRE-INIZCTEOSA-N 322.433 4.446 0 40 DIAB Cc1noc(C(C)C)c1C(=O)N[C@H]1C[C@H]1c1ccccc1Cl 69654044 MGUGCLULZPXZAN-JSGCOSHPSA-N 318.804 4.046 0 40 DIAB O=C1N=C(Nc2cccc(Cl)c2)/C(=C/c2cccnc2)S1 71286037 QOWGJTHJPHGGCV-QPEQYQDCSA-N 315.785 4.453 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)N1[C@H]2C=CC[C@H]1CC2 208026395 LWGBWRNJZYPCNH-OALUTQOASA-N 318.420 4.279 0 40 DIAB Cc1nc2ccccn2c1-c1nnc(-c2ccc(Cl)cc2)o1 216606621 QGXAGVUQHXTZGY-UHFFFAOYSA-N 310.744 4.013 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 222608214 VAMBVQSQONLTAL-UHFFFAOYSA-N 324.207 4.492 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)NCc1cccc2ccccc12 222892067 BQCXTZKUAFNGIY-FQEVSTJZSA-N 319.404 4.314 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCC1CCCCC1 224472938 FAWBNDTWUBZFGH-KRWDZBQOSA-N 303.446 4.157 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)c1ccccc1 224619460 RNYGTSZCGJGVTA-LPHOPBHVSA-N 311.425 4.072 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCC 224694559 CIJKFMDYCCPBSZ-UHFFFAOYSA-N 317.360 4.013 0 40 DIAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1CCCC1 225278344 VQXQMVZPFGJRPD-UHFFFAOYSA-N 304.459 4.237 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1C 225309690 QDIRIXFUBYVBPU-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C 225590825 PVSCSQABTIRAOQ-UHFFFAOYSA-N 310.608 4.093 0 40 DIAB CC[C@@H](CNC(=S)Nc1ccccc1F)Cc1ccccc1 225630560 VKZIWXAURVRAIH-CQSZACIVSA-N 316.445 4.381 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 253498770 SPPQPIJYSMWOGE-QYYVTAPASA-N 316.485 4.469 0 40 DIAB biogenic C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)O 253524947 MGMOLZNAUACBCR-RPYXOJERSA-N 318.457 4.011 0 40 DIAB c1cc2sc(=NCc3cc(-c4ccoc4)cs3)[nH]c2cn1 1889218132 VLVXQYPJOYEWKV-UHFFFAOYSA-N 313.407 4.047 0 40 DIAB CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC)cc12 503590 NWUUYEMSVIVPHC-UHFFFAOYSA-N 323.392 4.433 0 40 DIAB biogenic O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H]1CCCN1 1543423 QOTDIUAVPXJUEG-MRXNPFEDSA-N 303.298 4.047 0 40 DIAB CNc1nc(SCc2ccc(Cl)cc2Cl)ncc1C 1679416 AZVHOXURBMGEKN-UHFFFAOYSA-N 314.241 4.426 0 40 DIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 3053832 KDPQTPZDVJHMET-RMJJICAUSA-N 312.409 4.037 0 40 DIAB in-vitro N=C(COc1cc(Cl)ccc1Cl)NCCc1ccccc1 3151919 QCFZDLXGWYAPFM-UHFFFAOYSA-N 323.223 4.182 0 40 DIAB Cc1ccccc1NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 3153850 IAOPAIIARIYMIJ-MRXNPFEDSA-N 320.219 4.449 0 40 DIAB CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1N 3278071 BJLLLDCVKCNFQN-UHFFFAOYSA-N 316.209 4.481 0 40 DIAB CCCN(CCC)C(=S)Nc1ccc(OC(F)F)cc1 4134948 RXXSOEWALXTDFS-UHFFFAOYSA-N 302.390 4.107 0 40 DIAB CCc1nnc(NC(=O)c2oc3cc(C)c(C)cc3c2C)s1 4185927 AFWGNGMWOBLELE-UHFFFAOYSA-N 315.398 4.024 0 40 DIAB O=C(CSCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 4836584 GXODHBMMKWTCEX-UHFFFAOYSA-N 315.482 4.005 0 40 DIAB c1ccc(C2=NN[C@H]3c4ccccc4-c4ccccc4N3C2)cc1 5582077 FAYPZHNTUGZDIX-OAQYLSRUSA-N 311.388 4.180 0 40 DIAB in-vitro Cc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 6204424 ADPLBJZHPGMISB-UHFFFAOYSA-N 315.416 4.443 0 40 DIAB C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F 7671683 KLGIDXITCHEVTC-JTQLQIEISA-N 301.292 4.202 0 40 DIAB Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)cc1 8411714 SDGIEXZRESOPHI-UHFFFAOYSA-N 324.399 4.406 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3C)s2)cc1C 8790858 HUNPLDVIFXWWNI-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB c1coc(-c2cc(CSc3ncnc4ccsc34)no2)c1 9364133 BHKMVCUHQLDMEM-UHFFFAOYSA-N 315.379 4.232 0 40 DIAB Cc1ccc(-n2c(C)cs/c2=N\C(=O)c2ccccc2)c(C)c1 12601657 GHQNWCARVLJDSQ-VXPUYCOJSA-N 322.433 4.205 0 40 DIAB Cc1cc(C)cc(CSc2nnc(-c3ccoc3C)n2C)c1 21278271 ZFYMJXHZKHZHFF-UHFFFAOYSA-N 313.426 4.293 0 40 DIAB COCc1cccc(NC(=O)COc2cccc3ccccc23)c1 25334450 ZWPMVUFUJQUUAV-UHFFFAOYSA-N 321.376 4.004 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1Cc1ccccc1 25518228 PJXSAISZPKYFCX-QGZVFWFLSA-N 304.393 4.015 0 40 DIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(Cl)ccc1F 31536572 BRFVQJJBEWDGQD-UHFFFAOYSA-N 315.735 4.122 0 40 DIAB CC(=O)c1cccc(NC(=O)Nc2ccc(N3CCCC3)cc2)c1 32610249 VMRVWCYZFHTBMG-UHFFFAOYSA-N 323.396 4.133 0 40 DIAB Cc1ccc([C@H](NC(=O)NCc2ccccc2)C(F)(F)F)cc1 40158468 ISZYBKBMJBOYKH-HNNXBMFYSA-N 322.330 4.098 0 40 DIAB CN(Cc1ccc(F)cc1)C(=O)c1cc2c(s1)CCCC2 40159663 VXVCEKIVXKZVCF-UHFFFAOYSA-N 303.402 4.038 0 40 DIAB CCOc1ccc2c(c1)cc(C(=O)Nc1cccc(C)c1)n2C 49728937 IGYGAXCIHMGIBZ-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2ccccc2Cl)o1 52210620 DQGNUQSLEUPEOW-AWEZNQCLSA-N 319.836 4.358 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 59351737 ACKIGYIVCGXYMV-IBGZPJMESA-N 311.425 4.204 0 40 DIAB O=C(Nc1cccc2c1CCCC2)c1ccccc1-n1cccn1 60730138 CKDZGYDDVOPBDM-UHFFFAOYSA-N 317.392 4.003 0 40 DIAB COCCN(Cc1nc2ccccc2c(C)c1Cl)CC(C)C 61189958 RXEZQZIYXJZGSL-UHFFFAOYSA-N 320.864 4.301 0 40 DIAB Fc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)C1CC1 67445754 FGYAYPZIFRYAJG-UHFFFAOYSA-N 323.371 4.040 0 40 DIAB CC(C)(C)[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccccc1 69592196 WUCOOQBYSPZMPC-IBGZPJMESA-N 320.436 4.405 0 40 DIAB O=C1Nc2ccccc2/C1=C/C1=Cc2cc(Cl)ccc2OC1 70012918 XACOJIYIMHZKKX-NVNXTCNLSA-N 309.752 4.152 0 40 DIAB Cc1cc(NC(=S)Nc2ccc(N(C)C)cc2)ccc1F 71326122 XWIBAFQKLREMQH-UHFFFAOYSA-N 303.406 4.009 0 40 DIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCC1 72215191 BFRVDXGGSUVJLW-CYBMUJFWSA-N 317.433 4.205 0 40 DIAB Cc1cc(C(=O)c2ccccc2)cnc1N1CCc2ccccc21 72222898 VJXPELMRHULFHW-UHFFFAOYSA-N 314.388 4.315 0 40 DIAB Cc1cnc([C@@H](N[C@@H]2CCc3ccc(F)cc32)C2CC2)s1 95423342 YJBLNPFFWYQZFC-CVEARBPZSA-N 302.418 4.319 0 40 DIAB C[C@H](c1cccs1)N(C)C(=O)C[C@@H]1CCOc2ccccc21 96410040 VIFYZMAFIJXSBD-KGLIPLIRSA-N 315.438 4.224 0 40 DIAB O=c1[nH]c2c(s1)[C@@H](c1cccs1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872199 GCAODHPIRMXSSB-DKLQEMNFSA-N 321.492 4.150 0 40 DIAB CC/C=C\C[C@H](O)C(=O)C/C=C\CCCCCCCC(=O)O 117698057 CXXMQDYRBRVCTH-GNWBZBPQSA-N 310.434 4.034 0 40 DIAB CCCC[C@H](CC)CNC(=O)CCc1nc2cc(C)ccc2o1 224946762 UQWVRWIZJRYYIV-HNNXBMFYSA-N 316.445 4.401 0 40 DIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225800952 MKVYKGXZCALHMW-IBGZPJMESA-N 315.413 4.382 0 40 DIAB Cc1ccc(CN(C)C(=O)N[C@@H](c2ccccc2)c2ccco2)o1 252489245 JMIPAIQZQHYSHB-SFHVURJKSA-N 324.380 4.112 0 40 DIAB CC(C)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257202751 ANGKOQKVCZMWDR-INIZCTEOSA-N 304.821 4.464 0 40 DIAB Cc1sc(NC(=O)c2cccs2)c(C(=O)OC(C)C)c1C 483777 JSGVQDPOHUTVCT-UHFFFAOYSA-N 323.439 4.244 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1ccc2cc(OC)ccc2n1 1729629 REDZAFIPGBJBCJ-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB CCN(CC)CC(C)(C)COC(=O)c1cc2cc(C)ccc2o1 1828529 GPTFVKYZVAJUBQ-UHFFFAOYSA-N 317.429 4.266 0 40 DIAB CCN(CC)CCC[C@H](C)Nc1cc(OC)cc2cccnc12 1996070 QTQWMSOQOSJFBV-HNNXBMFYSA-N 315.461 4.166 0 40 DIAB in-man CC[C@H](OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c1ccccc1 2694600 PPTAYKHJILTVIZ-ROUUACIJSA-N 321.505 4.320 0 40 DIAB CCCCCO[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 3176750 XWBDRWCBBDORGD-LLVKDONJSA-N 318.672 4.052 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3285311 CLSIEHPILBUCNF-GFCCVEGCSA-N 322.330 4.453 0 40 DIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCCC1 3450865 XGWVODKMRDOEHF-UHFFFAOYSA-N 322.619 4.084 0 40 DIAB CC(=O)c1ccc(OC(=O)/C=C/c2cccc(Cl)c2)cc1 3550043 JKQUKAWUJUNOCP-BJMVGYQFSA-N 300.741 4.161 0 40 DIAB Clc1ccc(-c2nnn3c2nc(Cl)c2ccccc23)cc1 3907064 OWJUTUPFSYJOPZ-UHFFFAOYSA-N 315.163 4.251 0 40 DIAB Cc1[nH]c2ccccc2c1SCC(=O)N1CCc2ccccc21 4264155 VZSLXHKEDDEFMB-UHFFFAOYSA-N 322.433 4.158 0 40 DIAB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@H]1O 4652792 GCUZTKRRUTYKPX-UYMUPBKUSA-N 309.453 4.486 0 40 DIAB CCCCC[C@H](C)NC[C@H](O)Cc1ccc(OCCCC)cc1 4721971 BEIBQSJRJBTTMQ-PKOBYXMFSA-N 321.505 4.327 0 40 DIAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccco1 5857613 WPJPPQGCGDXWJY-UHFFFAOYSA-N 319.769 4.414 0 40 DIAB O=C(CSc1ncnc2ccccc12)c1c[nH]c2ccccc12 5862297 VCPACOPXXCMAGI-UHFFFAOYSA-N 319.389 4.086 0 40 DIAB CC[C@H](C)NC(=O)c1cccnc1Sc1ccccc1Cl 6085071 PWHONYIRIVAKOT-NSHDSACASA-N 320.845 4.415 0 40 DIAB COc1cc(OC)c(/C=C/c2nc3ccccc3o2)c(OC)c1 6403391 SALDHMKJHAIZRR-CMDGGOBGSA-N 311.337 4.024 0 40 DIAB CCN(Cc1ccccc1)C(=O)c1c(C)cc(Cl)nc1Cl 6668350 ZTKQKFKAECFAME-UHFFFAOYSA-N 323.223 4.359 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(C)cc2)c1C 6784809 LRYCZCMXBHMVBT-UHFFFAOYSA-N 301.411 4.118 0 40 DIAB Cc1csc(N(C(=O)CCc2ccco2)c2ccccc2)n1 6849405 OPJNHHSSDRIQHK-UHFFFAOYSA-N 312.394 4.342 0 40 DIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(Cl)c1 7071697 CESKCCGJVVEDLI-MDZDMXLPSA-N 323.783 4.178 0 40 DIAB Cc1cc2c(c(=O)o1)[C@H](c1ccco1)Sc1ccccc1N2 7366933 HPYJZSOTENEWEA-INIZCTEOSA-N 311.362 4.480 0 40 DIAB O[C@@]1(c2ccccc2)CCN(Cc2ccccc2)[C@@H]2CCCC[C@@H]21 8311888 BIWOHGQOCMGKSL-BHDDXSALSA-N 321.464 4.339 0 40 DIAB COc1cccc(CN[C@@H]2CCSc3ccccc32)c1OC 8328513 OLRCSDHTKNVLOZ-OAHLLOKOSA-N 315.438 4.031 0 40 DIAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C(C)C)n1 11695170 HTCVAFHFWPBUEH-UHFFFAOYSA-N 312.200 4.332 0 40 DIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Cl)cc1 11865915 RGGXXETZDBPJJN-UHFFFAOYSA-N 317.801 4.148 0 40 DIAB c1cncc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)c1 12251623 NKZWCGMALRTTPH-UHFFFAOYSA-N 322.437 4.257 0 40 DIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 12872471 AXGLBZLPRTXUPW-INIZCTEOSA-N 321.754 4.499 0 40 DIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(Cl)cc1 15198926 UTZZBNKUICBESB-AWEZNQCLSA-N 321.804 4.446 0 40 DIAB O=C(O)c1ccc(-c2ccc(Cl)cc2Br)o1 20160477 LZEGZKMPTVZWHW-UHFFFAOYSA-N 301.523 4.061 0 40 DIAB CC(C)CC[C@H](CCNCCN(C)C)c1ccc(Cl)cc1 20573013 DUVJODRJCXSKDJ-QGZVFWFLSA-N 310.913 4.401 0 40 DIAB COc1ccc(CCNCc2cccc(Cl)c2Cl)cc1 21505032 FTRDCQDPAAWBTH-UHFFFAOYSA-N 310.224 4.334 0 40 DIAB Cc1ccc(CCC(=O)NCc2ccccc2F)cc1Cl 22006955 SVYMODDKDPAPSV-UHFFFAOYSA-N 305.780 4.037 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 30758802 ZXEWUXNCQWQYSV-DLBZAZTESA-N 311.425 4.257 0 40 DIAB C[C@@H](Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl 66352146 IEKMAKBQCRKWLS-SSDOTTSWSA-N 301.148 4.250 0 40 DIAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1Cl 69476288 DQIQRUXKVRJLNA-KBPBESRZSA-N 317.816 4.293 0 40 DIAB CC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1 71902619 BPNGBSFPBPIMIM-NSHDSACASA-N 304.340 4.121 0 40 DIAB CCOC(=O)c1ccc2nc(-c3ccccc3F)sc2c1 73740353 ZPAZKZKJQQDXMY-UHFFFAOYSA-N 301.342 4.279 0 40 DIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc2[nH]ccc12 75582850 JHQUQDFGHYPMTM-UHFFFAOYSA-N 311.389 4.206 0 40 DIAB C[C@H](c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1 84656011 WWESJANIVPQXPT-MRVPVSSYSA-N 302.230 4.038 0 40 DIAB O=C1O/C(=C\Nc2ccc(C(F)(F)F)cc2)c2ccccc21 100406364 LGZNJXYBMVJCGL-ZROIWOOFSA-N 305.255 4.286 0 40 DIAB CCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223217390 ISWPTTUXTGXZAD-GXTWGEPZSA-N 305.418 4.041 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccccc1CC 224418373 AVBGSJMGGPNJBI-HOTGVXAUSA-N 305.462 4.349 0 40 DIAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 224687038 XPQXJTVQQZGAHO-UHFFFAOYSA-N 323.845 4.172 0 40 DIAB Cc1c(Cl)cccc1C[C@@H](Sc1ccccc1)C(=O)O 225072019 CXBAPCWRANJKDK-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB CCOc1ccc(CNC(=S)Nc2ccc(C)cc2C)cc1 225428993 XWZATCUNIZHVSP-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)c(C)c1 225781227 AEXHZCYGQMJOSQ-HNNXBMFYSA-N 314.454 4.057 0 40 DIAB Cc1csc(-c2cc([C@H]3CCCCN3C(C)C)nc(C)n2)n1 257282315 OTGKYQIAXSEPKD-MRXNPFEDSA-N 316.474 4.152 0 40 DIAB CC1CCN(c2cc(C(F)(F)F)c3cccc(O)c3n2)CC1 685938278 OIAYJZNQBBMZFK-UHFFFAOYSA-N 310.319 4.196 0 40 DIAB CC(C)C[C@@H](N)C1(c2ccc(OC(F)(F)F)cc2)CCC1 1772714872 BGNNNENROBXUSX-CQSZACIVSA-N 301.352 4.380 0 40 DIAB COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1 137330 YEBZZBFCHJNCKE-UHFFFAOYSA-N 314.410 4.449 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1cccc(C(F)(F)F)c1 385424 XMROPAJEAODSKW-UHFFFAOYSA-N 320.270 4.028 0 40 DIAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 570340 RSLKNZWMVUPLBB-UHFFFAOYSA-N 316.788 4.187 0 40 DIAB C[C@H]1CN(C(=S)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 4815991 MDYOJRKMXJIHFF-GJZGRUSLSA-N 311.450 4.138 0 40 DIAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1 4946318 JYOCFJAVCCRLHN-MTEHYEEQSA-N 314.425 4.180 0 40 DIAB CCCCOc1cccc(C(=O)Nc2cc(C)c(C)cc2O)c1 5008055 LGJWTHNHOZFEOI-UHFFFAOYSA-N 313.397 4.440 0 40 DIAB Cc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 5541139 SLQJHIGKWQEXDQ-UHFFFAOYSA-N 315.416 4.443 0 40 DIAB Cc1ccc([C@H]2N=C(S)NC3=C2CCc2ccccc23)cc1 9087819 VMAXSTGDCWQRBZ-QGZVFWFLSA-N 306.434 4.283 0 40 DIAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cc(Cl)c[nH]1 32397204 HINKTAFOWHUCTP-CQSZACIVSA-N 308.834 4.391 0 40 DIAB Cc1ccc(C)c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 32611697 NYNWNPAUSMFAMB-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB O=C(CCc1ccsc1)Nc1ccc2oc(C3CC3)nc2c1 32818725 KEBCRJPAGFZXFW-UHFFFAOYSA-N 312.394 4.338 0 40 DIAB O=C(O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 41127231 FYVNQGHLCDKAFL-UHFFFAOYSA-N 322.147 4.429 0 40 DIAB CC(C)CO[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cccs1 42474079 UTCSDVGZXRMTMK-PBHICJAKSA-N 317.454 4.015 0 40 DIAB Nc1cc(Cl)c(NC2CCCCC2)c(Br)c1 45885880 NVSYQXQKVHYNPC-UHFFFAOYSA-N 303.631 4.429 0 40 DIAB CC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 47806736 NNKOQLHPCCLPBH-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB CSc1nnc(CN(CC2CC2)[C@@H](C)c2ccccc2)s1 60339121 YSOXRWRWNUOWAW-LBPRGKRZSA-N 319.499 4.233 0 40 DIAB S=C(SCc1cc(-c2cccs2)on1)N1CCCC1 61399694 SKTBUPBNHFKVOR-UHFFFAOYSA-N 310.469 4.017 0 40 DIAB Cc1nc(C)c([C@H](C)N(C)C(=O)CSc2ccccc2)s1 71883140 VDPLDAUHSZYSLE-LBPRGKRZSA-N 320.483 4.072 0 40 DIAB Cc1c(CN2CCC[C@H]2c2ccccn2)[nH]c2ccc(F)cc12 72170447 LZQJVRJEMZMFAA-IBGZPJMESA-N 309.388 4.348 0 40 DIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(=S)[nH]c1 72216997 BVVLKNAHHAFUOY-HNNXBMFYSA-N 314.410 4.218 0 40 DIAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1C(C)C 72219300 PIAYGVBUVGGYOJ-SFHVURJKSA-N 301.478 4.316 0 40 DIAB FC(F)Oc1cccc(-c2noc(-c3ccnc(Cl)c3)n2)c1 89262848 ODJZPUSQKYUQQU-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB CC/C(=C\C(=O)N(C)Cc1cccc(OC)c1)c1ccc(C)cc1 96035777 RKQSFSAMPPWVGB-NBVRZTHBSA-N 323.436 4.456 0 40 DIAB O=C1C[C@H](c2ccccc2Br)Nc2ccccc21 97758117 SEYVLYDJXKORGO-CQSZACIVSA-N 302.171 4.189 0 40 DIAB Oc1c(-c2ccccc2)nc2ccccc2c1Br 98180194 OOZPGKLZYWHFQZ-UHFFFAOYSA-N 300.155 4.370 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCC1=CCCCC1 224439712 UEOIUOQYIKSQRU-OAHLLOKOSA-N 307.821 4.114 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2C)cc1C 224598076 CFLOQTRUUJZCAO-UHFFFAOYSA-N 303.789 4.147 0 40 DIAB COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1OC 226291256 JONMZPKVUSCFHK-NRFANRHFSA-N 320.388 4.453 0 40 DIAB Cc1occc1CN[C@@H](C)c1nc2ccccc2n1C(F)F 583652315 RHMIFNPJJCBGCQ-JTQLQIEISA-N 305.328 4.184 0 40 DIAB CC(C)c1c(C2CC2)[nH]c2cc(Br)ccc2c1=O 685938114 CPGMWLIBVKDWSN-UHFFFAOYSA-N 306.203 4.291 0 40 DIAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776009391 YNKKVYFNXHWKDI-IRXDYDNUSA-N 300.377 4.321 0 40 DIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC1=CCCCC1 579732 WUPVSVYXDOZGIK-CYBMUJFWSA-N 307.821 4.114 0 40 DIAB CCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1 804659 JARLOPBTDQGLSB-UHFFFAOYSA-N 319.430 4.093 0 40 DIAB O=C1CCSc2ccc(Cl)cc2N1Cc1ccccc1 1392631 QTGCOYSIEIOSKM-UHFFFAOYSA-N 303.814 4.369 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(F)(F)F 2641395 DXIRDEGSKPBVMB-UHFFFAOYSA-N 319.666 4.023 0 40 DIAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)NCCCOC)cc1 2780390 SCWOQYXJVNCEKF-RHSMWYFYSA-N 322.518 4.152 0 40 DIAB Cc1cc2ccccn2c1C(=O)c1ccccc1Br 3193698 CUIQPZBUNITRTP-UHFFFAOYSA-N 314.182 4.241 0 40 DIAB Cc1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1 3443109 DDQPAYQZIWCUPY-UHFFFAOYSA-N 309.438 4.491 0 40 DIAB Cn1cc(C(=O)OCc2nc3ccccc3s2)c2ccccc21 5703368 DTRLIVXPJGDKFY-UHFFFAOYSA-N 322.389 4.145 0 40 DIAB CC12CC3(C)CC(C)(C1)CC([C@H](NC(C)(C)C)C(=O)O)(C2)C3 5964012 BPSWQUUOJZGDMK-MHHRXVLKSA-N 307.478 4.214 0 40 DIAB O=C(Cc1cccc2ccccc12)NC12CC3CC(CC(C3)C1)C2 7000322 JEJVHZXHHZVSRM-UHFFFAOYSA-N 319.448 4.467 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 7843005 JPUVZSRQPCJXDT-UHFFFAOYSA-N 323.314 4.383 0 40 DIAB Cc1nc(C)c(C(=O)Nc2nc3cc(C)c(C)cc3s2)s1 7996290 GSJLFXHEEQNEPU-UHFFFAOYSA-N 317.439 4.239 0 40 DIAB C[C@H](NC(=O)c1cc(F)ccc1Br)c1ccccc1 9154582 AIGXBGWDGQYRQE-JTQLQIEISA-N 322.177 4.079 0 40 DIAB CCc1ccc(Nc2nc(C)nc3c2C(=O)CC(C)(C)C3)cc1 9504945 LXPCCVBYJVLSII-UHFFFAOYSA-N 309.413 4.246 0 40 DIAB Cc1ccccc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 9723765 NTGLKJXUSFYAQP-CQSZACIVSA-N 323.392 4.011 0 40 DIAB Fc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 13823308 KGWHKSDEWWCWEV-MRXNPFEDSA-N 300.402 4.190 0 40 DIAB O=C(Nc1cc(F)ccc1F)C1(c2ccc(Cl)cc2)CC1 15004721 BKHQEIAPSLBVAM-UHFFFAOYSA-N 307.727 4.289 0 40 DIAB O=C1C[C@H](c2ccc(F)cc2)c2c(sc3c2CCCC3)N1 15084686 IHTRIJPISMAVBF-CYBMUJFWSA-N 301.386 4.240 0 40 DIAB Cc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C 16489699 CLSNZKDTDHGBKZ-UHFFFAOYSA-N 309.196 4.445 0 40 DIAB CCOCCOc1cccc(NCc2ccccc2OCC)c1 19738528 GIIZHRBYSAZJEN-UHFFFAOYSA-N 315.413 4.113 0 40 DIAB Cc1ccc(-c2c(C(=O)NCc3ccccn3)csc2C)cc1 20368433 MRAHIDBGLNYBLI-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB CCCOc1ccccc1NC(=O)CCC(=O)c1cccs1 22354624 IFOSEQYZNWVLQT-UHFFFAOYSA-N 317.410 4.139 0 40 DIAB CN(Cc1cccs1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26291282 HAVKGQDXEDVJND-WDEREUQCSA-N 320.380 4.011 0 40 DIAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)no2)cc1F 27579911 BUBYLFQYMAFMKK-UHFFFAOYSA-N 324.355 4.061 0 40 DIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1n[nH]c2ccccc12 31334053 SPAXBUNUBLBVPB-LLVKDONJSA-N 313.788 4.050 0 40 DIAB CC(C)c1nn(CN(C)[C@@H]2CCCc3ccccc32)c(=S)o1 32899432 XFKQRNWFBZOSOS-OAHLLOKOSA-N 317.458 4.296 0 40 DIAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]1c1ccccc1 32904117 YCAHKEXYSFJLJM-OAHLLOKOSA-N 301.773 4.023 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1C 40074631 RBKXDNCKLUQDNM-QMMMGPOBSA-N 324.833 4.040 0 40 DIAB CCCOc1c(Cl)cc(C(=O)N(CC)CC)cc1OCC 42629878 FFJCASPTRFECCQ-UHFFFAOYSA-N 313.825 4.010 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 44845101 FAJLZETWHRGLOC-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB COC(=O)c1ccc(-c2cc(C)c(Br)cc2C)o1 45957908 LHNYUSISNGIJDQ-UHFFFAOYSA-N 309.159 4.113 0 40 DIAB C[C@@H](NC(=O)NCCSCc1cccs1)c1ccccc1 48311346 HHUKDSYELSHLOF-CYBMUJFWSA-N 320.483 4.042 0 40 DIAB O=C(Nc1cc(F)ccc1F)Nc1cc(F)ccc1Cl 51354427 RPTIIXRHRYAVOD-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CNc1nc2c(s1)[C@@H](c1c(F)cccc1Cl)CC(O)=N2 61719546 CQBLLNXLEGNJNV-ZCFIWIBFSA-N 311.769 4.101 0 40 DIAB Cc1noc(C)c1CC(=O)N(c1ccc(F)cc1Cl)C(C)C 65541620 KOCDPEUIQKVXKF-UHFFFAOYSA-N 324.783 4.068 0 40 DIAB CC(=O)N1CCC(c2cccc(-c3ccccc3Cl)n2)CC1 72357555 NJOMEIITBOKRFQ-UHFFFAOYSA-N 314.816 4.128 0 40 DIAB Clc1ccc(Br)cc1-c1nc2ncccc2o1 73639882 KXKUQBKGTIVUDH-UHFFFAOYSA-N 309.550 4.306 0 40 DIAB Cc1cccc2c1ccn2CCC(=O)Nc1ccc2[nH]ccc2c1 95480078 NELLRSXSTITLTI-UHFFFAOYSA-N 317.392 4.460 0 40 DIAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccsc1 96759137 VABIMPLMHOBGDK-YRNVUSSQSA-N 314.797 4.056 0 40 DIAB C[C@@H](O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118931415 UZBALNKEQDFPSB-YAWPOEEYSA-N 320.517 4.387 0 40 DIAB Nc1cc(-c2nc3ccc(F)cc3s2)ccc1Br 216732475 NOKFJUIHAVVKTQ-UHFFFAOYSA-N 323.190 4.447 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1Cl 222989100 SXHJFVFYDRHIMJ-UHFFFAOYSA-N 311.715 4.269 0 40 DIAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225324172 RHFZGILALATDSM-YWPYICTPSA-N 312.240 4.231 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccccc1C 225395777 WXLNTKSVLXICMN-MRXNPFEDSA-N 301.361 4.024 0 40 DIAB CCC(C)(C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225645391 MXYMHZGZRAXKQA-UHFFFAOYSA-N 306.475 4.483 0 40 DIAB O=C(NC1CCCCCCC1)c1snnc1-c1cccs1 225790666 SMSREWFCTCRKAA-UHFFFAOYSA-N 321.471 4.109 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225797631 BAJVPXMSQCGROT-LJQANCHMSA-N 315.413 4.382 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3)N21 260759299 FYDNJSLXEFDSOT-OIISXLGYSA-N 309.438 4.061 0 40 DIAB COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 488 BRABPYPSZVCCLR-UHFFFAOYSA-N 314.454 4.250 0 40 DIAB in-man COc1cc(OC)c2c(=O)c(-c3ccccc3Cl)coc2c1 58156 QMJSJNFLAZBOHV-UHFFFAOYSA-N 316.740 4.131 0 40 DIAB biogenic CC[C@H]1CN(C)CC[C@]1(OC(=O)c1ccccc1)c1ccccc1 80845 OJLWUEFIEDXWFB-GHTZIAJQSA-N 323.436 4.101 0 40 DIAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1 380508 CJAONGMDERMMFZ-UHFFFAOYSA-N 313.360 4.254 0 40 DIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 405707 SXPZYAMTSWFSFT-UHFFFAOYSA-N 317.797 4.294 0 40 DIAB Cc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 516078 JOJQCPABZNXZDL-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB CC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 545551 UJHDRLNMFZQZRN-UHFFFAOYSA-N 314.724 4.039 0 40 DIAB biogenic Cc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 1621432 BHGWQZFJVFVCCQ-UHFFFAOYSA-N 324.401 4.430 0 40 DIAB CCOc1ccc(NC(=S)N(CC(C)C)CC(C)C)cc1 3258957 AGTULEQXGXKWTF-UHFFFAOYSA-N 308.491 4.396 0 40 DIAB COc1ccccc1-c1csc(NC(=O)c2cccc(C)c2)n1 4662076 SVNYFIODRWYBFK-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@@H]2CC[C@H](C1)N2C 5019613 JIKAVSKPMLXRKC-HEBLUMGWSA-N 324.468 4.079 0 40 DIAB O=C1O[C@@H](CSc2ccc(Cl)cc2)CN1c1ccccc1 5774294 USLCQAYBDZOYQP-CQSZACIVSA-N 319.813 4.458 0 40 DIAB CCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1C)OCO2 5841467 WWTHGLPDLBGQDL-ZDUSSCGKSA-N 314.381 4.283 0 40 DIAB O=C(Cc1csc(-c2ccccc2)n1)NC1CCCCCC1 6542402 MMNVBKKHOBKQSG-UHFFFAOYSA-N 314.454 4.192 0 40 DIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1 7242464 RVTJFHWHFRXCNR-LBPRGKRZSA-N 314.816 4.268 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1 8493879 NHBDIOCDRPDVOT-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CCCN(CCC)Cc1c(C)nc2cc(C)cc(C)c2c1O 8717356 MDMKIMOSPYHBMD-UHFFFAOYSA-N 300.446 4.488 0 40 DIAB Cc1c(C(=O)NC2CCCCC2)n(C)c2ccc(Cl)cc12 9264121 RXHDUUDIWQDZFX-UHFFFAOYSA-N 304.821 4.203 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1ncc(-c2ccccc2)o1 9321347 MZUYMFBQPNBKSK-UHFFFAOYSA-N 316.719 4.386 0 40 DIAB O=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2o1 14141152 OTRSJYDHWISUBB-UHFFFAOYSA-N 324.361 4.079 0 40 DIAB Brc1cccc(CN[C@@H]2CCCc3occc32)c1 20203858 PEKQIFRKJOCMEX-CQSZACIVSA-N 306.203 4.209 0 40 DIAB CCOc1ccccc1CCC(=O)Nc1cnc2ccccc2c1 25157019 DHUMWKTUFDRXHM-UHFFFAOYSA-N 320.392 4.205 0 40 DIAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 26254770 ZHOPUPSPRIMMAA-UHFFFAOYSA-N 322.339 4.052 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CC1 32963849 DPTMZYAQORZKKC-UHFFFAOYSA-N 312.335 4.044 0 40 DIAB Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl 40162454 JSWKNABLANPSNB-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB CCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 43209964 ZPKQXWLICUBMRU-UHFFFAOYSA-N 312.365 4.022 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1 44839614 ZHSQWZBDCLHETN-DYVFJYSZSA-N 317.816 4.375 0 40 DIAB C[C@@H](c1ccccc1Cl)N(C)Cc1nc(-c2ccco2)no1 52162654 MKRLTKDTCSDDSY-NSHDSACASA-N 317.776 4.176 0 40 DIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 58393159 LKYUAUFZPFYKFQ-IPMKNSEASA-N 321.420 4.162 0 40 DIAB COc1ccc(C)cc1NC(=S)Nc1ccc(C)cc1F 71760552 ZQXHVDYEHBWVKQ-UHFFFAOYSA-N 304.390 4.260 0 40 DIAB Cc1nnc([C@H](C)NCC2(c3ccc(F)cc3)CCCCC2)o1 79029808 PULYQVVBYLGGSZ-ZDUSSCGKSA-N 317.408 4.070 0 40 DIAB Cc1noc(C)c1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 95985871 ZVCGNOBNIWWTLP-ZDUSSCGKSA-N 307.397 4.204 0 40 DIAB CCC[C@@]1(CCN[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96115343 UWNBQNKLNFHFPE-VQIMIIECSA-N 311.510 4.299 0 40 DIAB biogenic Clc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100636852 OHUDPBJJSRJZKC-CYBMUJFWSA-N 314.801 4.049 0 40 DIAB Cc1ccc([C@H]2C=C(c3ccc(C)c(C)c3)Nc3ncnn32)cc1 102800228 MTCUFVSFIUGLBJ-LJQANCHMSA-N 316.408 4.259 0 40 DIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1Cl 206762008 JAFCYVHPCBPEKM-BJUVLCKJSA-N 321.873 4.238 0 40 DIAB O=C(O)c1cn(C(=O)c2ccc3ccccc3c2)c2ccccc12 216951201 LOIKJQAKXPPBNE-UHFFFAOYSA-N 315.328 4.181 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1C 223471538 KSRCKMFVYCRXOX-DLBZAZTESA-N 311.425 4.257 0 40 DIAB Cc1ccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1 225076690 XSIDPRRAGFSLOZ-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CCOc1ccccc1C[C@@H](Sc1ccc(C)cc1)C(=O)O 225105502 PHXKNTXGEYUANP-QGZVFWFLSA-N 316.422 4.182 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 225892324 OMRNCDKPHIIMHP-UHFFFAOYSA-N 307.397 4.168 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 226304363 AHJJBHWNLBZUBQ-UHFFFAOYSA-N 318.376 4.040 0 40 DIAB C[C@H]1C[C@H](NC(=O)c2ccc(Br)cc2)CC(C)(C)C1 35985 CDPPLUXLEPLBEO-FZMZJTMJSA-N 324.262 4.394 0 40 DIAB Cc1cccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)c1 187224 DDDJNMAJWYZFRQ-UHFFFAOYSA-N 304.321 4.135 0 40 DIAB CCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1590057 DHEPBLVQUWGOTK-UHFFFAOYSA-N 308.208 4.261 0 40 DIAB Cc1cccc(C)c1NC(=S)NCc1ccccc1Cl 2532729 BJSQQNYQXOKCBT-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB O=C1N[C@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 2603825 KFVPTKKPMRERNS-AWEZNQCLSA-N 318.829 4.134 0 40 DIAB COc1cc(C(=O)Nc2cccc3ccccc23)cc(OC)c1C 2635738 REVHRAWRCONXKU-UHFFFAOYSA-N 321.376 4.418 0 40 DIAB NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 3905415 XALTUCOIORLBHQ-VCCNMJPESA-N 318.420 4.082 0 40 DIAB COc1ccc(N(C(=O)Nc2cccc(C)c2)C2=NCCC2)cc1 4570559 WANQHOXBHLWTLJ-UHFFFAOYSA-N 323.396 4.234 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl 6451822 BFUCHASKHAUGJK-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CSc1ccccc1NC(=O)[C@H](C)Nc1cccc(C)c1 7222746 BNUHITKGKRLHRM-ZDUSSCGKSA-N 300.427 4.156 0 40 DIAB CC[C@@H](C)c1ccc(C2=Nn3c(nnc3C(C)C)SC2)cc1 7238896 SGKHUWGMLMINCE-GFCCVEGCSA-N 314.458 4.273 0 40 DIAB C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CC1 8185001 LAMIUEUPYAZZPS-GFCCVEGCSA-N 306.365 4.023 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccccc1 8480297 JVHLSASJHOLMDQ-SUMWQHHRSA-N 317.816 4.375 0 40 DIAB O=C(NC1CCCCCCC1)c1cnc(Cl)c(Cl)c1 8719273 YDUDKBHNAYVFAX-UHFFFAOYSA-N 301.217 4.231 0 40 DIAB CCCSc1nc2ccccc2c2nc(-c3ccco3)nn12 9047580 KBNJKCIIEOMLQM-UHFFFAOYSA-N 310.382 4.040 0 40 DIAB CCc1ccc([C@H](NC(=O)NCc2ccco2)C(C)C)cc1 9960882 BMPICEJZPNRQMI-QGZVFWFLSA-N 300.402 4.039 0 40 DIAB COc1cc2nc(Cl)nc(NC3CCCCC3)c2cc1OC 11756099 YSBWNBSKCUUIBQ-UHFFFAOYSA-N 321.808 4.045 0 40 DIAB Cc1ccc(CSc2nnc(COc3ccccc3)o2)cc1 12249508 UECGMSKEWLWTJY-UHFFFAOYSA-N 312.394 4.249 0 40 DIAB CCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 12528052 OGEHGZSZLKGBCS-OUKQBFOZSA-N 302.377 4.449 0 40 DIAB Cc1nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2o1 12552082 BJTGERHPWJOHGC-UHFFFAOYSA-N 316.360 4.471 0 40 DIAB Fc1ccccc1NC1=NN=C(c2c(F)cccc2F)CS1 12736296 UBIDFAHUILPMET-UHFFFAOYSA-N 321.327 4.023 0 40 DIAB CCc1c(C(=O)c2ccc[nH]2)oc2ccc(Br)cc12 12775777 PIVKBWOTXAJPSV-UHFFFAOYSA-N 318.170 4.317 0 40 DIAB Cc1ccc(O)c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 12801248 SRYJDBGEQNIFDX-UHFFFAOYSA-N 324.207 4.280 0 40 DIAB Cc1csc(NC(=O)c2ccccc2Cc2ccccc2)n1 12931200 AZEOLLCNBIFQDU-UHFFFAOYSA-N 308.406 4.295 0 40 DIAB COc1ccccc1NC(=O)c1cc2cc(C)ccc2nc1C 14017847 FINNSXPJDCWKCR-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(F)ccc1F 16449446 BIUOYFGDWBENIJ-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB O=C1N[C@@H](c2sc3ccccc3c2Cl)Nc2ccccc21 17309211 DBOIZFBTULGUAY-HNNXBMFYSA-N 314.797 4.409 0 40 DIAB O=C(/C=C/c1ccc(-c2ccccc2)s1)NCc1ccco1 17334668 JJKDIDSPTNSNLJ-PKNBQFBNSA-N 309.390 4.338 0 40 DIAB CC(C)CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 40067779 JJQWNPPYNKBFSI-JTQLQIEISA-N 303.233 4.352 0 40 DIAB CCc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1C 40118960 SKHSXRIFJNPPFT-UHFFFAOYSA-N 313.426 4.067 0 40 DIAB COc1cc(OC)cc(C(=O)c2ccc(Cl)cc2Cl)c1 40930074 DKPMXZNQBJBVGB-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1ccc([C@H](C)N(C)Cc2nnc(-c3ccccc3)o2)cc1 47964607 YBEYZDFEKGZYJU-HNNXBMFYSA-N 307.397 4.238 0 40 DIAB CO[C@@H](C)c1nc(CN2C(=O)c3cccc4cccc2c34)cs1 78990474 HDKZYRRRGLYHMC-NSHDSACASA-N 324.405 4.164 0 40 DIAB O=C1C[C@@H](c2nc3ccccc3o2)CN1c1ccccc1Cl 82087165 JWTQPCPDDKRKLY-LLVKDONJSA-N 312.756 4.002 0 40 DIAB CC[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1nccs1 95409953 FNYXSIMXHPBKSB-AAEUAGOBSA-N 319.430 4.122 0 40 DIAB C[C@H]1CC[C@@H](OC(=O)c2csc(-c3ccc(F)cc3)n2)C1 95996103 HNMWTAZAOQGHOW-GXFFZTMASA-N 305.374 4.295 0 40 DIAB c1cc2nc(C3CC3)sc2cc1NCc1nnc(C2CC2)o1 195537419 MYDQFUXGYRTBFN-UHFFFAOYSA-N 312.398 4.046 0 40 DIAB CCCOC(=O)c1cc(N)ccc1Nc1ccccc1Cl 225469554 JGXQKWRVXBWWLC-UHFFFAOYSA-N 304.777 4.233 0 40 DIAB CCc1cc(N)cc(Br)c1N(C)C1CCCCC1 226316109 RRPZLWAKMREMFT-UHFFFAOYSA-N 311.267 4.363 0 40 DIAB Cc1cc(OC(=O)COc2cccc(C)c2C)ccc1Cl 148533 TYRUNHCTRWZIML-UHFFFAOYSA-N 304.773 4.250 0 40 DIAB CCc1ccc([C@H]2C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 222812 BQHRCBDCITXMDN-MSOLQXFVSA-N 322.387 4.126 0 40 DIAB Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccc(F)cc1 458847 WBCPTZQVUPFIFZ-UHFFFAOYSA-N 314.316 4.036 0 40 DIAB CCCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1572799 PLTBJEXOLLSNDS-CYBMUJFWSA-N 314.381 4.365 0 40 DIAB CC(C)(C)OC(=O)N1CCC(NC2CCCCCCC2)CC1 2527164 SAIBMNAATRKEJG-UHFFFAOYSA-N 310.482 4.088 0 40 DIAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(C)c1 3404141 AQRDBNRFBFFLDI-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccncc1 3663243 PWFRMDASXHVVSM-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB C[C@@H]1C[C@@H](C)CN(c2csc3ccc(Cl)cc3c2=O)C1 4478873 WAGMNCXFFLMXIP-GHMZBOCLSA-N 307.846 4.397 0 40 DIAB CCc1cc2c(Nc3cccc(C(=O)O)c3)nc(C)nc2s1 5451806 ZGAQBZOUJZQZEY-UHFFFAOYSA-N 313.382 4.004 0 40 DIAB CCOc1ccc(NC(=S)N2c3ccccc3C[C@@H]2C)cc1 5559563 WXVWLXPREXKLLL-ZDUSSCGKSA-N 312.438 4.233 0 40 DIAB COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OC 5745662 YLYNQZBJOVFEKJ-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1Cl 7215074 CUSHZTUPBYJCIM-AWEZNQCLSA-N 322.191 4.247 0 40 DIAB CC(C)CCNC1=NN=C(C23CC4CC(CC(C4)C2)C3)CS1 7778381 SHLLMIYSKJSTJB-UHFFFAOYSA-N 319.518 4.297 0 40 DIAB Cn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc21 8707113 NZYZEGUMPXVDTM-UHFFFAOYSA-N 316.404 4.108 0 40 DIAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCCCC2)cc1 9064355 GZDCCLBFOWQXRA-UHFFFAOYSA-N 324.424 4.246 0 40 DIAB Cc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1 12415364 MAOSIMHGXHQLFU-UHFFFAOYSA-N 302.337 4.102 0 40 DIAB O=C1Oc2nc3ccccc3cc2CN1Cc1ccc(Cl)cc1 13267681 APDRDGYXDDIRDV-UHFFFAOYSA-N 324.767 4.403 0 40 DIAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc(C)cc1 13669669 JEUTWYWOHYEMKU-CCEZHUSRSA-N 323.436 4.156 0 40 DIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c1 13710220 VKJAJIDRIKITIL-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(NCCSCc1cccc(Cl)c1)C1CCCCC1 13716893 NIFDLHCBAKELMK-UHFFFAOYSA-N 311.878 4.270 0 40 DIAB COc1ccc2c(c1C)CCC/C2=C\CC1(C)C(=O)CCC1=O 16249931 ULEYELVYYJFQIY-SDNWHVSQSA-N 312.409 4.052 0 40 DIAB O=C(c1ccc(Br)cc1)c1cccc2cc[nH]c12 34925582 RNXKQFMCSXIADL-UHFFFAOYSA-N 300.155 4.161 0 40 DIAB O=C(c1cccc2ccccc12)N1CCc2cc(F)c(F)cc21 36393357 PEDKBFXNBYYVLY-UHFFFAOYSA-N 309.315 4.321 0 40 DIAB COc1ccccc1CNCCc1c(C)[nH]c2ccc(C)cc12 36657783 ASHOBODCENMJAX-UHFFFAOYSA-N 308.425 4.126 0 40 DIAB COC(=O)c1cc(Nc2ccccc2)c2cc(Cl)ccc2n1 38486588 DYAXMGJLPMCZJR-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC1CCCCCC1 44880114 LGQRKZOCGJBUTC-KRWDZBQOSA-N 303.446 4.300 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3ccc(C(C)C)cc3[nH]2)o1 48289053 VHTMWIXXHSQPAN-UHFFFAOYSA-N 310.397 4.465 0 40 DIAB Cc1ccc2nc(C)c(C(=O)N3CCCc4ccccc43)cc2c1 48300510 HAHLBSHDJKOYHI-UHFFFAOYSA-N 316.404 4.445 0 40 DIAB CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 53943993 HVTKHTKNZADURS-UHFFFAOYSA-N 320.392 4.449 0 40 DIAB O=C(c1cc(-c2csc(C3CCCC3)n2)c[nH]1)N1CCCC1 65466412 BDOMLCAUZKBCPX-UHFFFAOYSA-N 315.442 4.032 0 40 DIAB CC[C@H](C)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 72040843 NWOFLOWSIPYMFD-LBPRGKRZSA-N 309.841 4.250 0 40 DIAB CC(=O)N1CCC[C@H]1c1cccc(-c2ccc(Cl)cc2)n1 72355792 NGMFFGJXCRPVIV-KRWDZBQOSA-N 300.789 4.085 0 40 DIAB CC(C)[C@H](N[C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 75568190 JAVPQCZOXMYSHP-UZLBHIALSA-N 310.441 4.391 0 40 DIAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc2cccnc12 84493767 XBGVYKTXENMODB-QGZVFWFLSA-N 322.795 4.306 0 40 DIAB O=C(Nc1ccc2cccc(Cl)c2n1)c1n[nH]c2ccccc12 96003437 XJGRVFJARZXOJK-UHFFFAOYSA-N 322.755 4.017 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@H](c1ccccc1)C(C)(C)C 109044293 CDWKJPACYVRXMX-HHXXYDBFSA-N 316.489 4.058 0 40 DIAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2C=CC[C@H]1CC2 208016645 XHSVTAVHVRYGRU-GJZGRUSLSA-N 317.388 4.244 0 40 DIAB Fc1cccc(NC(=S)NCCSC2CCCCC2)c1 225357506 HWJQDYRKEMXYMJ-UHFFFAOYSA-N 312.479 4.178 0 40 DIAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 226261132 NDPOFNORDAWWGB-UHFFFAOYSA-N 317.820 4.021 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)o1 226304686 YQHPHRCYJXBSGQ-ZIAGYGMSSA-N 312.413 4.240 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 226304989 JBKCLSCEBDRATM-LLVKDONJSA-N 318.804 4.054 0 40 DIAB CO[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 245318984 YQVNELYVHGIKRR-JXUVHZKSSA-N 304.474 4.325 0 40 DIAB COC(=O)CCCCC(=O)c1cc(Cl)cc(F)c1Cl 575360986 YKRCLYAQLOQZFL-UHFFFAOYSA-N 307.148 4.049 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(SC(F)(F)F)cc1 575361330 XGZCYVHPZVGULR-UHFFFAOYSA-N 320.332 4.215 0 40 DIAB CCCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 532322 MFGKIGCOICTGIX-UHFFFAOYSA-N 324.428 4.288 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCC2 3352251 VKWPNKOAROGEKM-UHFFFAOYSA-N 323.364 4.481 0 40 DIAB CCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC 3403163 XTFSLUODBOIEBN-UHFFFAOYSA-N 317.360 4.184 0 40 DIAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1Cl 3615704 MMLSLGOLIUXUHJ-UHFFFAOYSA-N 310.180 4.183 0 40 DIAB Cc1cccc(-c2nnc(S)n2-c2cccc(Cl)c2)c1 4126901 XYQWSFMZMMXZBT-UHFFFAOYSA-N 301.802 4.185 0 40 DIAB CCOc1ccccc1C(=O)Nc1ccc2nc(C)sc2c1 5578309 IUVOVRMGLDUJNU-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB Fc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 5715419 XVNMNZYFLYEKIU-UHFFFAOYSA-N 304.434 4.081 0 40 DIAB Cc1ccc(NC(=O)COC(=O)CCC2CCCCC2)c(C)c1 5987398 BUEYYIRWROAMNK-UHFFFAOYSA-N 317.429 4.146 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 6318568 AFNDHZJLPAVICY-UHFFFAOYSA-N 304.340 4.063 0 40 DIAB Cc1ccc2[nH]c3nc(SCC4CCCCC4)nnc3c2c1 6556942 MQMRHAHJHQDJEI-UHFFFAOYSA-N 312.442 4.487 0 40 DIAB CC(=O)c1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737820 BXPRFAMJRMSRKI-UHFFFAOYSA-N 317.348 4.186 0 40 DIAB CN(Cc1ccc(Cl)cc1)Cc1nc(-c2ccccc2)no1 7916102 DXPMRTKVMWRMOR-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CCOc1ccccc1C(=O)Nc1cccc2ccc(C)nc12 8587524 KYFNIJBTYYJDEB-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB Cc1cccc(-c2nc(C)cc(Nc3cccc(C(=O)O)c3)n2)c1 8702972 XRDCWDUHWGNWFP-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB O=C(CSc1ccc(F)cc1)Nc1ccc2scnc2c1 10217592 FCZCKBWAPKEVKC-UHFFFAOYSA-N 318.398 4.166 0 40 DIAB C[C@@H](CCc1ccccc1)N1C(S)=N[C@@H]2C=C(Cl)C=C[C@@H]21 12383448 DGQPNDLUJBWOAD-MAZHCROVSA-N 318.873 4.039 0 40 DIAB CCn1c2ccccc2c2cc(CN(C)C(=O)C(C)C)ccc21 12555050 DDYKYNUOBNBHGI-UHFFFAOYSA-N 308.425 4.429 0 40 DIAB O=C(Nc1cccc(C2SCCS2)c1)c1ccsc1 12819408 HIMWUUUYYKUJGV-UHFFFAOYSA-N 307.465 4.479 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1 15331009 WKTIQLKEFGYTLN-NSHDSACASA-N 307.752 4.194 0 40 DIAB CCSc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 20110311 CPBYEAZZHCPKET-UHFFFAOYSA-N 317.410 4.068 0 40 DIAB Fc1ccc(-n2nc(-c3cccc(Cl)c3)nc2Cl)cc1 22125421 SPOIKLAIRPGBPR-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB CC(C)Oc1ccccc1NC(=O)CCc1ccccc1F 32285482 AOBATTLIZRNCEY-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB CNCC[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1 39316141 DGDFMXSZLYHLAC-HNNXBMFYSA-N 309.331 4.435 0 40 DIAB COc1ccc2cc(/C=C/C(=O)N(C)C3CCCC3)ccc2c1 40013201 RMSUDCLTAWJOII-XYOKQWHBSA-N 309.409 4.263 0 40 DIAB COc1ccccc1NC(=O)c1c(Cl)c2ccccc2n1C 40142987 FMZALQYYCRZFLI-UHFFFAOYSA-N 314.772 4.093 0 40 DIAB CN(C)C(=S)c1ccc(-c2cccc(Cl)c2Cl)o1 40542484 ZGHXLSZCGIBWCX-UHFFFAOYSA-N 300.210 4.491 0 40 DIAB CCOc1ccc([C@H](CC(=O)O)c2ccc(Cl)cc2)cc1 41531120 PIPVOAAZJRJMEK-MRXNPFEDSA-N 304.773 4.345 0 40 DIAB O=C(NCC1CCCC1)c1cccnc1SC1CCCC1 55298481 ZOESIWMCICPVFX-UHFFFAOYSA-N 304.459 4.036 0 40 DIAB C[C@H](NC(=O)c1cccc(N(C)C)c1)c1ccc(F)c(Cl)c1 65754426 IEXOPEKPJGENPT-NSHDSACASA-N 320.795 4.036 0 40 DIAB CC(C)(C)c1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)no1 69539218 OBZGIDUDPQDQJX-ZJUUUORDSA-N 318.339 4.279 0 40 DIAB COc1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1 75157175 USGIFJOZOMDHGH-UHFFFAOYSA-N 316.426 4.168 0 40 DIAB O=C(Nc1cccc(C(F)F)c1)N1CCCC[C@H]1c1ncc[nH]1 88378250 AOYFUZYSJGORGH-ZDUSSCGKSA-N 320.343 4.106 0 40 DIAB Cc1cc(Cl)ccc1[C@@H](O)c1cccc(Br)c1 95730199 QIDAEWVGOGVRNM-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB CCOC(=O)c1coc(-c2ccc(OCc3ccccc3)cc2)n1 95751222 JABQWMPQTGFJOY-UHFFFAOYSA-N 323.348 4.097 0 40 DIAB O=C(c1cc(F)ccc1F)c1ccccc1OC(F)(F)F 95917414 CLHVRBNDNPQCPV-UHFFFAOYSA-N 302.198 4.094 0 40 DIAB Cc1nc(C(=O)N2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)c(C)s1 95973356 IFDZAFZWQJJIGA-BFQNTYOBSA-N 314.454 4.167 0 40 DIAB Cc1cccc2c1[C@H](C)C[C@H]2NCc1ccc(C2OCCO2)cc1 97032486 CKRLGTWWCJYREO-DNVCBOLYSA-N 323.436 4.379 0 40 DIAB CCCc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C2=O)cc1 102338835 GVZILAKFWWDAGS-FPAYPSAMSA-N 323.436 4.121 0 40 DIAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 118934689 RVSSFXUENQNQJK-MJSGPKJZSA-N 302.458 4.413 0 40 DIAB Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccccc2Cl)no1 193722280 RKKWUCKXVSWABJ-SECBINFHSA-N 316.792 4.076 0 40 DIAB CCCCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223792100 NCSTVLSSCDTQQP-GOSISDBHSA-N 303.446 4.029 0 40 DIAB Cc1ccc2oc(CCCC(=O)NCC3CCCCC3)nc2c1 224950741 SJYAHSBSFGPEHT-UHFFFAOYSA-N 314.429 4.155 0 40 DIAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cccnc1 225427577 OXYAVWWUJQZWCN-KRWDZBQOSA-N 322.408 4.038 0 40 DIAB COC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCC1 225629581 XQSRAAUOEVDFCT-UHFFFAOYSA-N 319.445 4.378 0 40 DIAB CC(=O)N[C@]1(C)C[C@H](c2ccc(C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257243338 IGMXGKAICVPBDO-DSFJHFMVSA-N 315.457 4.156 0 40 DIAB O=C1CS[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 36465 ZVTINTBXDBISEZ-MRXNPFEDSA-N 303.814 4.114 0 40 DIAB COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 133610 HOLUIAIEGQGAGN-UHFFFAOYSA-N 313.397 4.010 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 383492 FMORYUFIXLANEF-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB CCNC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1 1687513 UINKMXMWKAYXAZ-UHFFFAOYSA-N 303.837 4.221 0 40 DIAB O=C(Nc1ccc2c(c1)CCC2)c1cnc(Cl)c(Cl)c1 2653203 AFFPOPBALICLBX-UHFFFAOYSA-N 307.180 4.129 0 40 DIAB Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 3335475 FCHJAJVXSWJNLP-UHFFFAOYSA-N 305.377 4.416 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1 5414592 GZEGQBJLPBVDNJ-UHFFFAOYSA-N 309.196 4.352 0 40 DIAB O=C(O)/C(=C\c1ccccc1O)c1ccc(Cl)cc1Cl 6222212 QVSSOQHDVCNAHS-GHXNOFRVSA-N 309.148 4.324 0 40 DIAB O=C(CSCCCCCCO)c1ccc(Cl)cc1Cl 6321048 RRRLLOHAWJLJEJ-UHFFFAOYSA-N 321.269 4.462 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12867523 JMGFSTRFXNEFTG-UHFFFAOYSA-N 322.408 4.189 0 40 DIAB COc1ccccc1NC(=O)/C=C/c1cc2cccc(OC)c2o1 14084794 TVYNURVXWSAZAL-ZHACJKMWSA-N 323.348 4.102 0 40 DIAB CC(C)C(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835597 MQABNDKLHCRMMY-QGZVFWFLSA-N 312.438 4.433 0 40 DIAB CCCCCCOc1ccccc1C(=O)Nc1cccc(N)c1 19736022 FBUBKLPZGOHGNG-UHFFFAOYSA-N 312.413 4.480 0 40 DIAB COc1cc(CNc2cccc(C)c2)cc(Br)c1O 19877052 HBMVITZCLXKLIZ-UHFFFAOYSA-N 322.202 4.084 0 40 DIAB Cc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 24812711 CUBVUFXZTJQJKQ-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC(=O)c1sc(NC(=O)Nc2ccc(C(C)C)cc2)nc1C 27925398 HHLYPAPZHWMPKU-UHFFFAOYSA-N 317.414 4.422 0 40 DIAB CCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2SC)c1 40161234 QPGTWZCMGUTHKD-ZDUSSCGKSA-N 314.454 4.410 0 40 DIAB COc1cc([C@H](C)NC(=O)CC(C)C)ccc1OC1CCCC1 48339837 YRTDRHOMLQJJEW-AWEZNQCLSA-N 319.445 4.240 0 40 DIAB Fc1cc(Cl)ccc1NCc1nc(-c2ccsc2)no1 48429016 BFDWQCHCHYXCCX-UHFFFAOYSA-N 309.753 4.203 0 40 DIAB CC(C)Cc1nnc([C@@H](C)N(C)Cc2ccc(Cl)cc2)o1 69653446 VLWHBEHXGKDWME-GFCCVEGCSA-N 307.825 4.115 0 40 DIAB CCOc1ccccc1NC(=S)Nc1cc(F)cc(F)c1 71760968 OZGROFYVOHSGLB-UHFFFAOYSA-N 308.353 4.172 0 40 DIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1c(Cl)cccc1Cl 95096027 MWYWTGGYPQDKOB-LDWIPMOCSA-N 301.091 4.012 0 40 DIAB COc1cc(OC)cc(C(=O)c2ccc3cc(OC)ccc3c2)c1 95917094 SUWIRVRONBPQLK-UHFFFAOYSA-N 322.360 4.097 0 40 DIAB Oc1cccc2c(NC(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)cccc12 103202975 NWTJRMZDIJZYEF-HSMVNMDESA-N 312.438 4.020 0 40 DIAB COc1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1C 223505868 DKCBHNAWHGDXRD-UHFFFAOYSA-N 321.779 4.367 0 40 DIAB C[C@H](O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226274218 UKOXDHRBNSBLLK-VIFPVBQESA-N 310.180 4.299 0 40 DIAB CCCSc1nnc(Cc2ccccc2)n1-c1ccccc1 249695805 RMCKNWCORNHMHT-UHFFFAOYSA-N 309.438 4.360 0 40 DIAB Cc1cccc(CSCCNC(=O)/C=C/c2ccccc2)c1 408908181 URDRXVXVVUVFDY-ZHACJKMWSA-N 311.450 4.058 0 40 DIAB CC(C)CC1(C)CCN(C(=O)N[C@H](C)c2nccs2)CC1 585083809 STJFOLARCCTVOV-CYBMUJFWSA-N 309.479 4.062 0 40 DIAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 618257407 XBHMGXKJMFPFDC-IJDCCNJMSA-N 323.417 4.303 0 40 DIAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)S1 1001756 GPQDMFPUIYMMHB-WUXMJOGZSA-N 323.732 4.063 0 40 DIAB Cc1ccc2n1CCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]2C 1425247 HZTFVHICSJJCMC-LLVKDONJSA-N 323.223 4.320 0 40 DIAB CCSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 3399897 IRTORJZPEJGPHV-UHFFFAOYSA-N 311.410 4.055 0 40 DIAB N=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(F)cc1 3903059 HFSZRROURILGIQ-RBCZPYDQSA-N 316.332 4.020 0 40 DIAB Cc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 4169829 LGVYYQDGDZYXML-UHFFFAOYSA-N 324.767 4.095 0 40 DIAB O=C(c1cccc2cccnc12)N1CCC[C@@H]1c1cccs1 8131818 ZTONVKJNDSWOGZ-OAHLLOKOSA-N 308.406 4.274 0 40 DIAB O=C(NCc1cccs1)c1ccc(OCc2ccccc2)cc1 8162662 ARYITQULUIMZDB-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB COc1cccc(CNC2CC2)c1OCc1ccc(Cl)cc1 8495274 MUBYPVHAHXBJLM-UHFFFAOYSA-N 317.816 4.180 0 40 DIAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccoc1 9727119 DRFGCFHHKYNYNQ-UHFFFAOYSA-N 309.350 4.137 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 15357610 YXJXKUJHWXTRFJ-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 19736659 KXNGQSIKTJPWJZ-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2Cl)s1 19927550 WIPLTNZIKSDHEK-ZANVPECISA-N 324.858 4.272 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20038747 CNMWCQVIOZMTPR-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 22515802 MLPYDDVVGIEYJL-UONOGXRCSA-N 317.816 4.293 0 40 DIAB CC(C)=C[C@H]1[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C 32843239 JCGOYHFAMNDAGR-IDHTWPPDSA-N 301.474 4.310 0 40 DIAB O=C(c1ccc(F)cc1)c1cc(Br)ccc1Cl 34775740 LVILQFKAGQFQEK-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB CCCCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1 35715785 JOBVVMBLWMLLFN-NBVRZTHBSA-N 307.393 4.383 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cc1 40059892 OKDZNKMFPRLSFW-LBPRGKRZSA-N 305.324 4.087 0 40 DIAB CCCCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 45028752 KJMRFZAUJCBANC-UHFFFAOYSA-N 313.397 4.280 0 40 DIAB Cc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1C 46077747 ZKMBJQMJPOIHGR-UHFFFAOYSA-N 311.381 4.025 0 40 DIAB Cc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)s2)cc1 59475053 AUMGZWWZHNXGBM-FMIVXFBMSA-N 321.405 4.165 0 40 DIAB CCC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462071 DOJBHKVHEZSGES-UHFFFAOYSA-N 316.744 4.202 0 40 DIAB COc1ccccc1C(=O)Nc1ncc(-c2ccccc2)s1 71564751 DCLSGQUGLDRHRV-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB CCCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214396 GUEJEBAKBFDSMD-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB COc1cccc(CCC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 75107503 HGZVRDMESLISHZ-UZLBHIALSA-N 323.436 4.032 0 40 DIAB CCOC[C@H]1CCCN([C@@H](C)c2ncc(-c3ccccc3)o2)C1 76020951 LIRONJMOSQYXJR-HOTGVXAUSA-N 314.429 4.151 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccccc1Cl 220013582 HWZREKDRSJYXKG-HNNXBMFYSA-N 315.844 4.410 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1F 223185298 KLOMXTTUGWMXHM-UHFFFAOYSA-N 305.780 4.230 0 40 DIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCC1=CCCCC1 224465758 XNBWATBBMWOJMG-KRWDZBQOSA-N 301.430 4.077 0 40 DIAB CC[C@H](C)n1ncc(NC(=O)Nc2ccc(O)c(Cl)c2)c1C 390833942 PFUGIAIKEDXIBY-VIFPVBQESA-N 322.796 4.166 0 40 DIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CC1CCCCC1 409139885 CGHUZXDKNFVWES-XNTDXEJSSA-N 319.401 4.442 0 40 DIAB Cc1nc(N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc(C(F)(F)F)n1 1776001723 IFDDSTXVYOFXNH-KBPBESRZSA-N 323.362 4.416 0 40 DIAB Nc1ccc(-c2ccc(-c3ccc(N)cc3)c3[nH]cnc23)cc1 1875251934 VKSGBNJGARSEDW-UHFFFAOYSA-N 300.365 4.061 0 40 DIAB O=C(Nc1nc2sc3c(c2s1)CCCC3)c1ccccc1 360196 VXKYEGZFRHNGEM-UHFFFAOYSA-N 314.435 4.489 0 40 DIAB Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1 364513 LDOCWKYYLLFNGI-UHFFFAOYSA-N 310.397 4.150 0 40 DIAB O=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1O 365149 XLXGPRVJKDBBPR-UHFFFAOYSA-N 311.768 4.380 0 40 DIAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)[C@H]1CCCC[C@H]21 384450 MNMAEQVSXROYEC-QUCCMNQESA-N 321.420 4.377 0 40 DIAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 509605 FZUXOTLFMCOWKG-UHFFFAOYSA-N 312.372 4.361 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc(F)c(F)cc2Cl)c(C)n1 1425259 IVBFSUQZJRISJV-UHFFFAOYSA-N 310.731 4.191 0 40 DIAB O=C(CSc1ccc(Cl)cc1)Nc1cccnc1Cl 3401173 GWGPPKSPGJUKAK-UHFFFAOYSA-N 313.209 4.119 0 40 DIAB C[C@H]1CC[C@@](C)(C(=O)COC(=O)CCc2ccccc2)C1(C)C 3846182 MNRYYNBFZMOGDH-YWZLYKJASA-N 316.441 4.194 0 40 DIAB biogenic CC(=O)NCc1ccccc1C(c1ccc(C)o1)c1ccc(C)o1 3846758 BSPYAXICTZNMMI-UHFFFAOYSA-N 323.392 4.306 0 40 DIAB biogenic CC1=C(C)[C@H](Nc2ccc(C)cc2F)N(Cc2ccccc2)C1=O 4672729 PDLFNNUNVADDST-LJQANCHMSA-N 324.399 4.251 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCC1CCCCC1 6010762 YLPAYXRLJJLRGQ-OAHLLOKOSA-N 311.425 4.304 0 40 DIAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccn1 6786523 ULFDCKLMTMUMLG-UHFFFAOYSA-N 302.333 4.162 0 40 DIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 7407101 ZIBCHGCZUWSRNX-UHFFFAOYSA-N 311.715 4.123 0 40 DIAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 12409654 VSOAUSLQUWDBFE-UHFFFAOYSA-N 324.380 4.474 0 40 DIAB CCCc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12563946 ZQLVTRTUJFXLRO-LBPRGKRZSA-N 317.820 4.127 0 40 DIAB Cc1nn(C)c(Cl)c1C(=O)OCc1ccc(C(C)(C)C)cc1 36649048 ILHUFTRZIYQAAB-UHFFFAOYSA-N 320.820 4.036 0 40 DIAB CC[C@H](C)[C@@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 48301917 NRHUOAWRVOBDDP-XXQUSICCSA-N 319.445 4.046 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2ccc(F)c(C)c2)c1 71760593 MZXUILFYMAVAIS-UHFFFAOYSA-N 302.374 4.146 0 40 DIAB Brc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)cc1 85394446 BJTQABVGRQECFZ-NVXWUHKLSA-N 316.242 4.342 0 40 DIAB Cc1ccc(OC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)cc1C 95350019 SNTFNOGSIFJDEK-KBXCAEBGSA-N 323.392 4.117 0 40 DIAB O[C@H](c1cc(F)cc(Cl)c1)c1ccccc1Br 95730053 RILBPESELJVUDJ-CYBMUJFWSA-N 315.569 4.323 0 40 DIAB Cc1cc(-c2nnc(CN[C@@H](C)C3CCCCC3)o2)c(C)o1 97373733 ARUXENWLFIOMIX-LBPRGKRZSA-N 303.406 4.005 0 40 DIAB COc1ccc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1 100980796 ZMSVPVHDCAQIMV-VWQZVHOKSA-N 313.441 4.174 0 40 DIAB O=C(O)[C@H](Cc1cccc(Cl)c1)Oc1cccc(Cl)c1 225058450 VEBCJZMFULGLTE-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CCCCc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)cc1 225130180 NKODTYZVTSIORP-LJQANCHMSA-N 312.409 4.242 0 40 DIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)cc1 225621661 CIXJWBUUCJLPFC-SFHVURJKSA-N 307.434 4.399 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225651921 BECAPLDYKONLIZ-IBGZPJMESA-N 319.445 4.460 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1 225691567 PVKNLFBVVOOXAM-GOSISDBHSA-N 307.434 4.399 0 40 DIAB CC(C)(C)C(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352022 VSZRBVGTPNJNQC-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB OCc1ccc(CNc2ccc(Cc3ccccc3)cc2)cc1 585090247 VVXGPFPUSNRJIM-UHFFFAOYSA-N 303.405 4.382 0 40 DIAB Clc1nc(Nc2ccccc2)nc(NC2CCCCC2)n1 364095 XUIFPPRNFHPDOG-UHFFFAOYSA-N 303.797 4.013 0 40 DIAB Cc1cc(C)c(-n2c(C)nc(=O)c(-c3ccccc3)c2C)c(C)c1 499598 RUSYSFLJRNULHU-UHFFFAOYSA-N 318.420 4.442 0 40 DIAB CC(C)[S@@](=O)c1snnc1-c1ccc(Cl)cc1Cl 1385794 RFPJJQILXCBYPU-SFHVURJKSA-N 321.254 4.028 0 40 DIAB O=C1c2ccc3c([nH]c4ccccc43)c2C(=O)N1c1ccccc1 1603903 LAKILUGJNITYLZ-UHFFFAOYSA-N 312.328 4.122 0 40 DIAB Cc1cc(Cl)ccc1-n1c(C)nc2cccc(Cl)c2c1=O 1849142 KUIHLOHNUGOCTO-UHFFFAOYSA-N 319.191 4.309 0 40 DIAB CCOP(=O)(OCC)C(=O)c1cccc(C(F)(F)F)c1 2557700 BJPUWQUHANRUMW-UHFFFAOYSA-N 310.208 4.112 0 40 DIAB CC(C)(C)c1nocc1C(=O)Oc1cccc(C(F)(F)F)c1 2568783 MZXSEVNBMDLEDG-UHFFFAOYSA-N 313.275 4.210 0 40 DIAB CC(=O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3348124 XJCIGFPFCVSPMV-OAHLLOKOSA-N 310.378 4.159 0 40 DIAB COc1cccc2sc(Nc3nc4c(s3)CCCC4)nc12 4121607 FHDDRFUNWRWCDJ-UHFFFAOYSA-N 317.439 4.384 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1cc(F)c(Cl)nc1Cl 4289429 OJACDXTWGSRXKW-UHFFFAOYSA-N 319.550 4.433 0 40 DIAB C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(C)O 4403985 BFMZZSBHQOCQFQ-HTDHLNIYSA-N 300.442 4.189 0 40 DIAB in-vitro CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)O)ccc21 4674585 XGMVDRHWIYYFKQ-UHFFFAOYSA-N 324.380 4.008 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 6328431 DDDYATKEVWFHSJ-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1ccc(C)cc1N[C@H](C)C(=O)c1c[nH]c2ccccc12 7043049 AWFBDRNJLVNDIY-CYBMUJFWSA-N 308.381 4.168 0 40 DIAB COc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)C)c3)nc2c1 9190269 JHVJWEJIBXRHLJ-UHFFFAOYSA-N 324.380 4.406 0 40 DIAB Cc1ccc(SCCC(=O)N2CCCc3ccccc32)cc1 10449480 XICVDAZLKIRZBE-UHFFFAOYSA-N 311.450 4.457 0 40 DIAB CCOc1ccccc1Oc1ccc(Br)cc1N 14630961 NWZYKFBPPUQDRY-UHFFFAOYSA-N 308.175 4.222 0 40 DIAB Cc1c(NC(=O)c2cccc(Cl)c2Cl)cccc1C(=O)O 20138660 XVEGDTDARPZWHQ-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1cccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)c1 20632671 INEUFQZXDOVMLG-INIZCTEOSA-N 302.377 4.093 0 40 DIAB CCN(C(=O)c1cccc(OC)c1)C12CC3CC(CC(C3)C1)C2 21345464 YHCNFRHHPYBFME-UHFFFAOYSA-N 313.441 4.126 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 25368395 DGTMLMACYKEJOX-CYBMUJFWSA-N 315.438 4.377 0 40 DIAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)c1 28303829 PVNXUJMPNSYMCE-INIZCTEOSA-N 304.393 4.277 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2ccccc21 30847623 FOIOWRABGZPUJA-GOSISDBHSA-N 309.409 4.050 0 40 DIAB Cc1n[nH]cc1CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 38011496 IWDNPXUXWCANJT-QMMMGPOBSA-N 302.180 4.015 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C)c(C)c2)c(C)c1 44900097 MDUHXRMSEBPBGU-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB Nc1cc(Nc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 49467941 XMWANUHNIIFGER-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB Cc1ccc2nc(Nc3nc4ccc(N)cc4s3)oc2c1C 57352657 ABFRDJWLXDCBIC-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB CC(C)c1nnc(COc2ccc(C(=O)c3ccccc3)cc2)o1 58378476 RHAMIGSZXQGRSW-UHFFFAOYSA-N 322.364 4.003 0 40 DIAB CN(Cc1ccccc1F)C(=O)c1ccc(Cl)cc1Cl 60387180 BPPSYJOSGAZYDC-UHFFFAOYSA-N 312.171 4.405 0 40 DIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cc3ccccc3[nH]2)o1 65522118 DLUZKVUOZYMCDQ-QSQAAJAESA-N 320.392 4.214 0 40 DIAB CCCCN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214384 HIZLMJDTWYQTLB-HNNXBMFYSA-N 319.449 4.366 0 40 DIAB O=C(O)c1cc2cc(Cl)c(OCc3ccccc3)cc2o1 72219753 UDZBVWJPOCPFNG-UHFFFAOYSA-N 302.713 4.363 0 40 DIAB CCCN(CCC)c1ncc(CNC(=O)OC(C)(C)C)cc1C 72222245 DPBWQQVDGKWEOR-UHFFFAOYSA-N 321.465 4.041 0 40 DIAB CC(C)C[C@H]1SCC(O)=Nc2c1cnn2-c1ccc(F)cc1 79494131 BQTVAWLVZMWBHA-CQSZACIVSA-N 319.405 4.433 0 40 DIAB CSc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95917256 VEKVEGRBBJTBBP-UHFFFAOYSA-N 318.266 4.335 0 40 DIAB COC(=O)/C(=C/c1ccc(F)cc1)c1nc(C(C)(C)C)cs1 95979271 LGIBSEHZFCVAKN-UKTHLTGXSA-N 319.401 4.293 0 40 DIAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccc2C)c(C)c1 96137100 RJLITIIUBUKWBX-MDZDMXLPSA-N 315.438 4.333 0 40 DIAB CO[C@H](CNC(=O)c1cccc2ccccc12)c1cccc(F)c1 96388070 AUZANDFRWAOSFA-LJQANCHMSA-N 323.367 4.096 0 40 DIAB CCCC(=O)Nc1ccc(Cl)c(NCc2nc(C)c(C)o2)c1 97022755 CHCFHBKHIFOTDB-UHFFFAOYSA-N 321.808 4.296 0 40 DIAB CCc1ccc(N[C@@H](C(=O)N(CC)CC)c2ccccc2)cc1 98081187 LAZIKLHWIQLIFV-LJQANCHMSA-N 310.441 4.271 0 40 DIAB Cc1ccc(C2=N/C(=C3/Nc4ccccc4S3)C(=S)O2)cc1 101426419 BZXWNRUJLPSMRT-PEZBUJJGSA-N 324.430 4.486 0 40 DIAB C[C@H](NC(=O)Nc1ccc(Cl)cc1F)[C@H]1C[C@@H]2CC[C@@H]1C2 102378157 PYPUEKBHSVPLLO-SBFPOUOMSA-N 310.800 4.425 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 107327578 SVVAMOLHOWXEKZ-RMRDIRSESA-N 313.441 4.185 0 40 DIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H](c2ccc(F)cc2)C1 206874338 ZCNLMBGFHUJJGS-XPYUAMARSA-N 313.416 4.134 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1 216295200 QFGYZYWIXNJNJK-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 219736570 KCRJCMCFJRHCPT-INIZCTEOSA-N 311.425 4.225 0 40 DIAB COC(=O)C(C)(C)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C 223206596 JBWHXOUSMBMVBJ-NSHDSACASA-N 309.837 4.384 0 40 DIAB Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224187074 HLJTYVMZTOECFV-UHFFFAOYSA-N 317.816 4.074 0 40 DIAB COCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OC 224402268 BFUDRVPUKCXQMA-UHFFFAOYSA-N 313.397 4.019 0 40 DIAB C[C@@H](NC(=O)c1ccc2nc(Cl)sc2c1)c1ccccc1 225977378 PLMRXFFRNCQQOC-SNVBAGLBSA-N 316.813 4.441 0 40 DIAB COc1ccc(C(=O)CCc2ccc(F)c(Cl)c2)cc1OC 228933922 WPRYUZSKNIONEL-UHFFFAOYSA-N 322.763 4.312 0 40 DIAB O=C(c1cccc(F)c1C(F)(F)F)C(Cl)(Cl)Cl 575360542 IQMYZHSNUWEPQB-UHFFFAOYSA-N 309.473 4.397 0 40 DIAB Cc1ccccc1C(=O)SCC(=O)Nc1ccc(Cl)cc1 112114 ISIOZCOBAZTYIR-UHFFFAOYSA-N 319.813 4.161 0 40 DIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3nc(C)c(C)nc3c2)C1(C)C 1427365 GDFPHELAPFAEGX-MAUKXSAKSA-N 323.440 4.424 0 40 DIAB OC(Cc1cccc(=S)[nH]1)(c1ccccc1)c1ccccc1 1699845 YKOCSTLKBYOOTN-UHFFFAOYSA-N 307.418 4.223 0 40 DIAB CCCCn1c(C)c(C(=O)OCC)c2cc(OCC)ccc21 1812915 HPEIDWSZAQWGED-UHFFFAOYSA-N 303.402 4.325 0 40 DIAB Cc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)o1 3444264 HTFXWUIMJRCODN-UHFFFAOYSA-N 316.357 4.032 0 40 DIAB CCc1cc2cc(C)ccc2nc1SCC(=O)N(CC)CC 4849316 XMQYTIXERIVHIK-UHFFFAOYSA-N 316.470 4.066 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 4902594 MYDYAKIYFFHWMG-MRXNPFEDSA-N 324.424 4.083 0 40 DIAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 6287924 LZNXPAQJKGFWEQ-SNVBAGLBSA-N 311.278 4.336 0 40 DIAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1 7644462 RGMZBGYQWRBPDF-SNVBAGLBSA-N 324.207 4.493 0 40 DIAB Cc1ccc2oc(C(=O)Nc3nc4c(C)cccc4s3)cc2n1 8798743 CBBWNGQHMQPHOM-UHFFFAOYSA-N 323.377 4.307 0 40 DIAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9426269 DFRHJKLXQMECBR-LJQANCHMSA-N 304.393 4.432 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1Cl 10775282 ANNYPADUJCZXEF-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB C[C@@H](NC(=O)NCCc1ccccc1)c1cccc2ccccc12 12738202 YSAGULDYIHGMBM-MRXNPFEDSA-N 318.420 4.443 0 40 DIAB CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCc2ccccc21 12794887 VJVSWJRPLSNXPL-FQEVSTJZSA-N 318.420 4.246 0 40 DIAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCc2ccccc21 13017954 JMPUDDNWSXDKFL-UXHICEINSA-N 305.421 4.374 0 40 DIAB Cc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 16292411 QAWNVPZVNDJGTH-UHFFFAOYSA-N 308.303 4.336 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(N)cc2)c(C)c1 17025066 UHFAAPNMVLDBQC-ZDUSSCGKSA-N 300.427 4.005 0 40 DIAB CC[C@H](NC(=O)CCc1ccccc1F)c1ccc(OC)cc1 23649815 SLCGGBHUCNUVJH-SFHVURJKSA-N 315.388 4.034 0 40 DIAB O=C(Cc1cccc(F)c1)NC1CCC(c2ccccc2)CC1 25098112 XHPACWBEQSQKAL-UHFFFAOYSA-N 311.400 4.211 0 40 DIAB Cc1ccc(Oc2ncnc3ccccc23)c(Br)c1 25523014 FHHGNIZVILHNDZ-UHFFFAOYSA-N 315.170 4.493 0 40 DIAB Cc1ccc(C)c(-n2c(CNc3ccccc3)n[nH]c2=S)c1 26439423 YMRVANJZASEGOY-UHFFFAOYSA-N 310.426 4.159 0 40 DIAB CC1CCC(N(C)CC(=O)N[C@H](C)c2ccccc2Cl)CC1 32751523 RROJKFXPLIZYCS-SHARSMKWSA-N 322.880 4.028 0 40 DIAB Cc1ccc2[nH]c3nc(SCc4ccccc4F)nnc3c2c1 35312189 UZFFTGCLIVSLLP-UHFFFAOYSA-N 324.384 4.246 0 40 DIAB CC(C)(C)[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(F)cc1 36394438 GSQLNOKJGCCWDC-MRXNPFEDSA-N 316.376 4.208 0 40 DIAB CCCN(CCC)C(=O)Nc1cc(Cl)c(OC)cc1OC 40103515 DZOFKGCFTJMKOP-UHFFFAOYSA-N 314.813 4.011 0 40 DIAB CC(=O)Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1 43209987 YYRMDSHBXDNBAG-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2ncccc2C)c(C)c1 47303264 LZTVSBDBAFUDKH-UHFFFAOYSA-N 324.424 4.307 0 40 DIAB CNc1nc2c(s1)[C@H](c1ccc(F)cc1Cl)CC(O)=N2 49549617 XJXFFZRSFAORDR-QMMMGPOBSA-N 311.769 4.101 0 40 DIAB Cc1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1Cl 71979086 QZEXXLHETOKFQO-MRXNPFEDSA-N 314.772 4.040 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@H]2CCCC[C@H]21 79538496 ONHANSWVRKTECF-ZWNOBZJWSA-N 315.310 4.249 0 40 DIAB CC(C)C[C@H](NC1CCN(Cc2cscn2)CC1)C(C)(C)C 95462761 KRVLSTDMBIGIQJ-KRWDZBQOSA-N 323.550 4.158 0 40 DIAB CC(=O)N(C)c1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 95963256 XMMDTPQZTUPANG-LBPRGKRZSA-N 315.417 4.128 0 40 DIAB C[C@H](c1ccco1)N(C)Cc1ccc(Oc2cnccn2)cc1 95982499 QGDBJGYOYCBOIP-CQSZACIVSA-N 309.369 4.055 0 40 DIAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 216887258 OGYRKPNAARLMMD-RUDMXATFSA-N 320.747 4.244 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC(C)(C)CC(C)(C)C 224618422 FXRBXDCEWAJSPQ-MRXNPFEDSA-N 305.462 4.483 0 40 DIAB CCc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)cc1 224999624 RAESANGMOLSPLH-INIZCTEOSA-N 311.425 4.285 0 40 DIAB Fc1ccccc1CN1CCCC[C@@H]1c1ncn2ccsc12 257229222 FXGIDOOJXUTDHF-OAHLLOKOSA-N 315.417 4.262 0 40 DIAB CCCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 1889056215 IDTQIQCMTQBLKZ-UHFFFAOYSA-N 323.367 4.090 0 40 DIAB Cc1cnc([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)s1 2037845386 BMDXYKSMXQFLPD-OAHLLOKOSA-N 311.454 4.312 0 40 DIAB CCCc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 134432 GPBWGCDNEXSGRW-UHFFFAOYSA-N 312.340 4.464 0 40 DIAB CN(C)[C@@H]1C[C@](c2cccs2)(C2CCCCC2)CCC1=O 1577545 KGFHLVDDNFZNTD-QAPCUYQASA-N 305.487 4.249 0 40 DIAB CN(C)CCCN1c2ccccc2Sc2ccc(F)cc21 1758743 NZBCOAOFWKDSTP-UHFFFAOYSA-N 302.418 4.380 0 40 DIAB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=S 1797310 OZTKBEMOEMPBGI-YFHOEESVSA-N 322.311 4.158 0 40 DIAB COCc1ccc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 2009664 GQNBIMLHUAWKHJ-SJORKVTESA-N 302.414 4.115 0 40 DIAB O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 2017910 IJIHPPHWXPHTRG-IBGZPJMESA-N 322.408 4.056 0 40 DIAB Cc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1C 3095098 BKEABHZHQNSWSE-UHFFFAOYSA-N 301.345 4.257 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccccc3c(N3CCOCC3)c12 5304614 RRCATOLXLWQNMY-VFNWGFHPSA-N 322.452 4.246 0 40 DIAB COc1ccccc1-n1c([C@@H]2C[C@H]2c2ccccc2)n[nH]c1=S 6275337 CGPYXFDKOIJFLY-UONOGXRCSA-N 323.421 4.210 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)CCC2 6653191 LRHFTWKTAZEBSB-UHFFFAOYSA-N 321.829 4.460 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1C 7756721 PVVVUICCIPYINW-OCCSQVGLSA-N 300.427 4.330 0 40 DIAB CSc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 7814308 IZAGUXIIWSKARZ-CQSZACIVSA-N 315.463 4.375 0 40 DIAB CCOCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 9476622 XKEXYGWSIBYNJN-UHFFFAOYSA-N 314.212 4.380 0 40 DIAB Cc1ccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 12493017 YCFZGTDTLCAWKH-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 12995749 WJCJYCJWEHLMSX-UHFFFAOYSA-N 308.381 4.307 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccc(F)cc1C 13937327 BLSHKVNSIWCJKZ-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB O=C(O)c1ccccc1SCc1cc2c(cc1Cl)OCO2 16449387 RAWZWLWZZTXAHN-UHFFFAOYSA-N 322.769 4.059 0 40 DIAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)cc1 17841530 NMAWZERDLSNWJK-GOSISDBHSA-N 311.425 4.258 0 40 DIAB CC(C)[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1cccs1 19312191 IVTQFPYNNDIORY-JQWIXIFHSA-N 306.258 4.145 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)nc2ccccc12 23078811 NDYPMLHZFXPOSI-SMDDNHRTSA-N 302.805 4.197 0 40 DIAB COCc1ccccc1CNC(=O)c1cccc(Cl)c1Cl 25304139 AHNXFMYYGFPCFN-UHFFFAOYSA-N 324.207 4.070 0 40 DIAB Cc1ccc(-n2ncc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 29459806 XYIGVYMZBTZCDO-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB COC(=O)c1cc(CNc2cc(Cl)ccc2Cl)oc1C 30285314 CFOHJEHRVSIYOO-UHFFFAOYSA-N 314.168 4.294 0 40 DIAB CC(C)[C@@H](NC(=O)CCOc1cccc(F)c1)c1cccs1 32421888 VSENUIGLSMKZHY-QGZVFWFLSA-N 321.417 4.170 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)no1 32833245 SQLVYKZWCBHGSX-UHFFFAOYSA-N 320.348 4.105 0 40 DIAB CC(C)c1ccc(CCNC(=O)N(C)Cc2cccs2)cc1 40016114 LRJOFPLJBOMBFO-UHFFFAOYSA-N 316.470 4.256 0 40 DIAB CC[C@@H]1CCCCN1C(=O)c1nc(-c2ccco2)sc1C 40062614 WOILFFNFJWTBND-GFCCVEGCSA-N 304.415 4.116 0 40 DIAB CCCCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 40160252 WHBOVMSUFYVXJJ-UHFFFAOYSA-N 312.413 4.281 0 40 DIAB Cc1nc(-c2ccc(NC(=O)NCc3ccccc3)cc2)oc1C 48303578 PNZPWQRRXFDTNK-UHFFFAOYSA-N 321.380 4.280 0 40 DIAB c1ccc(-c2cc(COc3ccc4ncccc4c3)no2)cc1 65206053 XTVYHKMCEIHIJL-UHFFFAOYSA-N 302.333 4.469 0 40 DIAB COc1cccc([C@@H]2SCC(O)=Nc3ccsc32)c1OC 71279383 IYDNEGPDBDVFFQ-AWEZNQCLSA-N 321.423 4.190 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc2ncccc2c1 72221795 OGNUBOHXYFXUCH-IBGZPJMESA-N 302.377 4.212 0 40 DIAB CC(=O)N1CCC[C@@H](c2cccc(-c3ccccc3Cl)n2)C1 72357557 SGXFQDJPFRJSKG-CQSZACIVSA-N 314.816 4.128 0 40 DIAB Cc1c(F)cccc1N[C@H](C)c1nc(-c2cccs2)no1 80715503 GFBNCPOTBVTWMK-SNVBAGLBSA-N 303.362 4.419 0 40 DIAB CC(C)(C)OC(=O)n1ccc2c([C@@H](N)c3ccccc3)cccc21 96509807 DJGXLJIGMKIIGC-SFHVURJKSA-N 322.408 4.473 0 40 DIAB FC(F)(Br)C(F)(F)CCOc1ccccc1 98210657 INNHJNVSCHKSIA-UHFFFAOYSA-N 301.077 4.079 0 40 DIAB C1C2CC3CC1CC(NNC14CC5CC(CC(C5)C1)C4)(C2)C3 101440457 WVUOFGVVABQIMT-UHFFFAOYSA-N 300.490 4.018 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 109037765 ASXIXCMTCZKFRD-FHWLQOOXSA-N 315.457 4.054 0 40 DIAB Cc1ccc(C(=O)N2CCS[C@@H](c3ccco3)CC2)cc1F 219416559 HXYUIDYBSDGPOC-MRXNPFEDSA-N 319.401 4.048 0 40 DIAB Cc1ccc(C)c(OCC(=O)NCc2ccc3ccccc3c2)c1 222787385 BXKCCTWJTSJDIN-UHFFFAOYSA-N 319.404 4.152 0 40 DIAB CCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12 225880092 JACALSJAGPCZSK-UHFFFAOYSA-N 300.402 4.398 0 40 DIAB Cc1cc(-c2nc(C)cs2)nc([C@@H]2CCCCN2C(C)C)n1 257315349 VAXYCXCZIXQMQU-HNNXBMFYSA-N 316.474 4.152 0 40 DIAB Cc1ccc2nc(-c3ccc(C[n+]4ccccc4)cc3)oc2c1 152686 GXBVJDMLVSEVBI-UHFFFAOYSA-N 301.369 4.139 0 40 DIAB CSc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 515958 ROKHJCNDEOIYPO-UHFFFAOYSA-N 313.209 4.363 0 40 DIAB COc1ccc([C@H](CC(=O)NCc2ccccc2)C(C)C)cc1 525151 CUZKQJAOAGLRHM-LJQANCHMSA-N 311.425 4.141 0 40 DIAB Cc1ccc(Sc2nc(-c3ccccc3)ncc2C(=O)O)cc1 1386396 GSDKKWMNQPONEU-UHFFFAOYSA-N 322.389 4.301 0 40 DIAB CCOC(=O)Nc1cc2c(cc1Cl)-c1ccccc1C2=O 1574382 MASBUIREUIKBEF-UHFFFAOYSA-N 301.729 4.120 0 40 DIAB C[C@H](Sc1ccccn1)C(=O)Nc1cccc2ccccc12 2745942 CXQUMTIWAZVRSP-ZDUSSCGKSA-N 308.406 4.354 0 40 DIAB O=C(CSc1ccc(Cl)cc1)N1CCc2ccccc2C1 3153523 FZLADTZXYDSJFB-UHFFFAOYSA-N 317.841 4.017 0 40 DIAB COc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1 3168374 LTSLGXIZIKDRQR-UHFFFAOYSA-N 323.364 4.191 0 40 DIAB Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(C(C)(C)C)n1 3331374 UNLJJJFPKHWNQS-UHFFFAOYSA-N 306.797 4.244 0 40 DIAB CCOCc1c(C(=O)NCc2ccc(C)cc2)oc2ccccc12 3547241 SMBVXBPJNCMCMW-UHFFFAOYSA-N 323.392 4.208 0 40 DIAB SC1=NC2(CCCCC2)N=C1c1ccc(Br)cc1 4891048 CWJGIPUHJBXEPB-UHFFFAOYSA-N 323.259 4.241 0 40 DIAB Clc1ccccc1CSc1nnc(-c2ccccn2)o1 5016681 IVOORYMBSKTBRU-UHFFFAOYSA-N 303.774 4.077 0 40 DIAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccc(F)cc1 5484099 VDAPPXHIDHLXAK-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB Cc1cc(S(=O)(=O)Oc2ccc(Cl)cc2)ccc1Cl 5749989 OQHLOTKSUKUVPY-UHFFFAOYSA-N 317.193 4.070 0 40 DIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)NC1CCCCC1 5756628 AVLROCDVJIPWNT-UHFFFAOYSA-N 321.730 4.208 0 40 DIAB Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2Cl)c1C 7597497 HFJRBIYMWMZPJA-CQSZACIVSA-N 317.816 4.213 0 40 DIAB Oc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 7777123 XFPNADMOTTXDRK-UHFFFAOYSA-N 312.316 4.220 0 40 DIAB CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 7777571 QSRDHHUJTMYHRQ-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB O=C(Nc1ccc(OC(F)F)cc1)c1cccc2ncccc12 8726080 ZZRTVEUYGXAGGA-UHFFFAOYSA-N 314.291 4.089 0 40 DIAB CC(C)(C)c1ccc(NC(=O)NCCc2cccs2)cc1 9156094 AINIUQCPMKZPSL-UHFFFAOYSA-N 302.443 4.410 0 40 DIAB CCN(CCCNC(=O)c1cc2ccccc2o1)c1ccccc1 9920057 UKSKWTQPXGXYKY-UHFFFAOYSA-N 322.408 4.079 0 40 DIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccccc2)o1 11596227 RRLBLPCRJSRENW-LLVKDONJSA-N 314.366 4.002 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Cl)c1)C2 12619980 NOOHDHIWXXMVRK-HNNXBMFYSA-N 303.814 4.304 0 40 DIAB c1ccc(Nc2nc(CSc3nncs3)cs2)cc1 13135279 MNRNCADLZOCSKL-UHFFFAOYSA-N 306.441 4.031 0 40 DIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Cl 14013220 IFGMWDUQQXOPGX-INIZCTEOSA-N 303.789 4.445 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c(F)c2)c1 15011706 JGMIPLWFVXYWHN-UHFFFAOYSA-N 319.351 4.414 0 40 DIAB CC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2)cc1 18181989 RYLVCOZSESQYMP-UHFFFAOYSA-N 312.413 4.185 0 40 DIAB COc1cccc(NC(=O)[C@H](C)Nc2ccc(C(C)C)cc2)c1 32228374 XUFPEZSPRRCUMN-AWEZNQCLSA-N 312.413 4.258 0 40 DIAB Cc1ccc(Cl)c(NC(=O)OCC(F)(F)F)c1Cl 32628765 MKGFZBUNKZVVLL-UHFFFAOYSA-N 302.079 4.413 0 40 DIAB O=C(CCC1CCCC1)NCc1ccnc(Oc2ccccc2)c1 32930548 ACMCMCAOCWNQJA-UHFFFAOYSA-N 324.424 4.461 0 40 DIAB CCOc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1 44194798 ZSEIOCLGDGCDKV-UHFFFAOYSA-N 320.389 4.042 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC)c1 44886261 IJFQCXBGGVAKQU-SFHVURJKSA-N 313.397 4.108 0 40 DIAB Nc1cc(Nc2ccccc2Cl)nc(-c2ccc(F)cc2)n1 49468001 WTSXFTMXHQZKGV-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F 58304696 JDMQJDOEGMABKA-NRFANRHFSA-N 316.319 4.293 0 40 DIAB COc1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 64874554 FWDFBDKUFLWJKD-UHFFFAOYSA-N 319.286 4.166 0 40 DIAB C[C@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)c1ccccn1 75722794 BCWLEJSIDXTYMB-HNNXBMFYSA-N 322.452 4.288 0 40 DIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](CC)O1 79093141 VIHFLBGQHIWGED-FCGDIQPGSA-N 315.457 4.129 0 40 DIAB CC[C@@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C 90886638 ZHENVOOVVMCWIS-PIGZYNQJSA-N 315.417 4.052 0 40 DIAB CCOC[C@H]1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 96448450 CEIJCNVKYQTAJE-KBPBESRZSA-N 322.474 4.001 0 40 DIAB O=C(Cc1ccc(Cl)cc1F)N1CCCc2ccccc21 224487734 FQHAEIWFZMIJNH-UHFFFAOYSA-N 303.764 4.001 0 40 DIAB O=C(O)c1ccccc1-c1ccc(CNc2ccccn2)cc1 257273563 NHDKYFHNYIDSAW-UHFFFAOYSA-N 304.349 4.059 0 40 DIAB COc1c(Br)ccc2c(Cl)c(F)c(Cl)nc12 2362804823 NOIHOGRXPLWXIB-UHFFFAOYSA-N 324.964 4.452 0 40 DIAB Cc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1 89011 GULQDIGCAOVCEH-UHFFFAOYSA-N 317.824 4.322 0 40 DIAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Cl)cc1 268749 NPEQEJBUAHXKID-AWEZNQCLSA-N 320.816 4.484 0 40 DIAB COC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1615302 BXYZGIYKCLZFOU-UHFFFAOYSA-N 302.373 4.460 0 40 DIAB CC1(C)c2ccccc2Cc2c1nc1ccccc1c2C(=O)O 1694677 FXJATUKTLICSPZ-UHFFFAOYSA-N 303.361 4.163 0 40 DIAB Cc1c(C(=O)NCCC(C)C)oc2ccc(Br)cc12 2644754 IJAWWPDOYZGKOE-UHFFFAOYSA-N 324.218 4.280 0 40 DIAB COc1ccc(CC(=O)Nc2ccc3ccccc3c2)cc1OC 3093906 VQHUWZLOHCMNOG-UHFFFAOYSA-N 321.376 4.038 0 40 DIAB CC(C)(C)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 3361232 IWUXVJBWFFXFFX-UHFFFAOYSA-N 310.393 4.055 0 40 DIAB CC(C)CCNC(=O)c1cccnc1Sc1ccccc1 3438935 JTGUSWSNOSOFBA-UHFFFAOYSA-N 300.427 4.009 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2cn[nH]c2c1 5323134 ACQWXHNNCKHMKF-UHFFFAOYSA-N 320.274 4.226 0 40 DIAB CCc1nc2ccccc2c(C(=O)OCc2ccccc2)c1C 5995618 YZSMQAMOJDPRNY-UHFFFAOYSA-N 305.377 4.463 0 40 DIAB CSc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 6127435 BCGXZMDLZVLTMZ-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)NC3CCCCC3)ccc2c1 7070978 XKBOCEDJWNRVFZ-AWEZNQCLSA-N 311.425 4.401 0 40 DIAB CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2C)cc1 7420732 AMEPRGGQWVLDOZ-MRXNPFEDSA-N 310.441 4.016 0 40 DIAB Cc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 7756312 KUNCXIIENPYMEH-UHFFFAOYSA-N 300.408 4.432 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 8041151 CKHAVGQOXCTMKN-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB CCc1ccc(CCC(=O)NCCSc2ccccc2)cc1 10371867 NJCLRWUQTWIHMU-UHFFFAOYSA-N 313.466 4.090 0 40 DIAB Cc1ccsc1C(=O)Nc1ccc(N2CCCCC2)cc1 12528296 KJBYAOMQVWVHGE-UHFFFAOYSA-N 300.427 4.299 0 40 DIAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(C)c1 12771476 NQRQKBPSXTWQHJ-OAHLLOKOSA-N 323.392 4.306 0 40 DIAB Cc1ccc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12820738 GMLWECNOEDZHAN-OAHLLOKOSA-N 316.401 4.493 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1 13994497 YZOUXLPWHLGSRW-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB O=C(N[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1Cl 14903653 HKUQXQOQOLGHMP-OAHLLOKOSA-N 306.192 4.411 0 40 DIAB COc1ccc(COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1F 22134755 LLGRFKPHIQKVAB-LBPRGKRZSA-N 314.356 4.412 0 40 DIAB CN(Cc1cnn(-c2ccccc2)c1)c1nc2ccccc2s1 24983948 RTSDYYOJSFWDAJ-UHFFFAOYSA-N 320.421 4.118 0 40 DIAB CCc1ccccc1NC(=O)CN[C@H](C)c1ccccc1Cl 25396983 SZXBMFRUZUOBIV-CYBMUJFWSA-N 316.832 4.192 0 40 DIAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 25418368 SLMHIEFWWQQAAB-UHFFFAOYSA-N 323.371 4.189 0 40 DIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H]2CCCc3ccccc32)c1 30856757 SFCNLEVOCGSTNB-IBGZPJMESA-N 323.436 4.184 0 40 DIAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccco1 32739486 UJTINWLRHNVFPU-LBPRGKRZSA-N 306.365 4.196 0 40 DIAB Cc1ccc2nc(C)c(C(=O)N(C3CC3)[C@H](C)C3CC3)cc2c1 32810341 ROZOFHCMLBQIIE-CQSZACIVSA-N 308.425 4.255 0 40 DIAB Cc1ccccc1-c1nc(Cc2c(F)cccc2Cl)no1 33664218 ALXKOBKTLDIVGI-UHFFFAOYSA-N 302.736 4.428 0 40 DIAB CC(C)=CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 37151328 FNFBXBXMCMSFST-UHFFFAOYSA-N 309.369 4.235 0 40 DIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1Cl 38755932 ADPQBQCPGINTBU-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 40946228 AZJYRSWOHGITJK-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CCn1cc([C@@H](C)N[C@@H](C)c2ccccc2Br)cn1 44496379 KYMVBAXMWPUNGB-NEPJUHHUSA-N 322.250 4.077 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@H]1c1ccccc1 47698519 CCUUIGCMOYGPMH-SFHVURJKSA-N 303.365 4.214 0 40 DIAB Cc1ccc(C)n1CCCC(=O)Nc1ccc(F)c(Cl)c1 49031041 DJFSQLYJYASFTE-UHFFFAOYSA-N 308.784 4.316 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(Oc2ccccc2)cc1 59466501 JNLAAKHJEREKPS-UHFFFAOYSA-N 312.365 4.395 0 40 DIAB Cc1nn(C)c(C)c1CCNCc1cccc(-c2ccccc2)c1 71816980 AAOYIRMECNNXDM-UHFFFAOYSA-N 319.452 4.036 0 40 DIAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CC2)nc1 72213815 VRJMCMRGPRSSMZ-SFHVURJKSA-N 321.424 4.023 0 40 DIAB Cc1cccc(C(=O)N[C@H](C)c2nc(-c3cccnc3)cs2)c1 75136650 OIRBTSURZDWZEI-CYBMUJFWSA-N 323.421 4.005 0 40 DIAB O=C(Nc1ccc(Cl)cc1)OCC(Cl)(Cl)Cl 82169981 DLMBBPCXWUAWHE-UHFFFAOYSA-N 302.972 4.259 0 40 DIAB COc1ccc2cc(C(=O)c3c(F)cc(F)cc3F)ccc2c1 95917107 MPZQDOGMRYNXON-UHFFFAOYSA-N 316.278 4.497 0 40 DIAB C[C@@H](OC1CCCC1)C(=O)Nc1ccc(Cl)cc1Cl 95959405 HMYUNEHFDHXZPL-SECBINFHSA-N 302.201 4.280 0 40 DIAB CC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)c1ccncc1 95968444 CXIGGVZEPOLYLM-HNAYVOBHSA-N 306.413 4.069 0 40 DIAB O=C(c1cccs1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166248 IFEKIJINHCXTAS-HZPDHXFCSA-N 315.413 4.438 0 40 DIAB C[C@@]12CNC[C@](C)(CN(C(c3ccccc3)c3ccccc3)C1)C2 100511988 SJMBNLLHJPEHNV-FGZHOGPDSA-N 320.480 4.098 0 40 DIAB O=c1[nH]c2c(s1)C1(CCCCC1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101261925 VUMGPIOQOVMRQU-WISYIIOYSA-N 307.484 4.159 0 40 DIAB Cc1cccc(C)c1OCC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101342195 KDTTVSVXPPYMSY-OXJNMPFZSA-N 315.457 4.109 0 40 DIAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 263595447 DOIUYMHEABAPBH-ZTGIPDDFSA-N 302.458 4.413 0 40 DIAB O[C@@H](c1cc(Br)cc(C(F)(F)F)c1)C(F)(F)F 1857793241 VAVSNIFJYBZMBU-ZETCQYMHSA-N 323.030 4.064 0 40 DIAB COc1ccc(OC)c(C(=O)CCCCCCCCC(=O)O)c1 1755222 FWMNDGPJWCWCFZ-UHFFFAOYSA-N 322.401 4.092 0 40 DIAB CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2c1CCC2 2431106 KJJKBBDXEGRDQY-UHFFFAOYSA-N 301.777 4.112 0 40 DIAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1c(F)cccc1F 3221924 HLCYKNWRJNVXFB-UHFFFAOYSA-N 323.726 4.220 0 40 DIAB CC(C)(C)c1csc(NC(=O)c2ccc3ccccc3n2)n1 3325776 PHQWRKOQGLKUEM-UHFFFAOYSA-N 311.410 4.241 0 40 DIAB C[C@@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CCC[C@H]12 5103717 FIYKELYEIQYSKX-VITWEKAKSA-N 304.474 4.349 0 40 DIAB CC(C)c1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 5442802 FTSMFYCOJXCORG-LJQANCHMSA-N 323.436 4.383 0 40 DIAB O=C1CCCN1c1nc(-c2ccc(Cl)cc2Cl)cs1 6509615 PUQZYSWTGZUQQQ-UHFFFAOYSA-N 313.209 4.244 0 40 DIAB Cc1csc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 7195700 ZQZKZOHPSKKPRY-JTQLQIEISA-N 302.424 4.296 0 40 DIAB Cc1ccsc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342950 DWYJFQBWOSTQMR-JYRVWZFOSA-N 316.407 4.151 0 40 DIAB CO[C@H](C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 8106342 MHIBFVBIXVCXMX-AWEZNQCLSA-N 310.180 4.320 0 40 DIAB CCOc1ccccc1CCCNC(=O)c1ccc(Cl)cc1 10110847 JAFHVWAPKGWDLK-UHFFFAOYSA-N 317.816 4.101 0 40 DIAB CCOc1ccccc1NC(=O)CCOc1cc(C)cc(C)c1 11637503 BPWBYPLBOSMDBL-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Cc1cc(C)nc(NC(=O)Cc2c(Cl)cccc2Cl)c1 13328019 FMESRZPMVLFYJN-UHFFFAOYSA-N 309.196 4.186 0 40 DIAB CCOc1cc2ccccc2cc1C(=O)Nc1ncc(C)s1 14186280 LMUOKJHGBBGMMF-UHFFFAOYSA-N 312.394 4.256 0 40 DIAB Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)n1 14683671 SPCUWTGFTPCDDH-UHFFFAOYSA-N 324.355 4.360 0 40 DIAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2C[C@@H]2C)cc1 14794219 HGXXCHXUGLRMNY-BBRMVZONSA-N 311.381 4.472 0 40 DIAB Cc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)C[C@@H]2C)cc1 17056632 XPHOAJXTGUGBRR-KRWDZBQOSA-N 323.440 4.046 0 40 DIAB Cc1ccc(NC(=S)NCCCOC2CCCCC2)c(C)c1 18168157 JZYPUHJBJCIWJE-UHFFFAOYSA-N 320.502 4.329 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)c(F)c1 20045269 KKOXENVPJWGQGM-INIZCTEOSA-N 319.351 4.378 0 40 DIAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccccc3)c2C)cc1 22890137 GERCVALYNCWQMN-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB CCN(C(=O)c1ccc(Br)cc1)c1cccc(C)c1 32181200 NXRHHDOCCGXWJH-UHFFFAOYSA-N 318.214 4.424 0 40 DIAB COc1ccc(NC(=O)c2ccco2)cc1Cc1ccccc1 69519263 POETXKGZZAPANA-UHFFFAOYSA-N 307.349 4.131 0 40 DIAB Cc1ccc(C)c(-c2nc(N3CCSCC3)sc2C)c1 72078672 PRYAKWLKEWSHLM-UHFFFAOYSA-N 304.484 4.289 0 40 DIAB CCc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1 100033741 ULBLMCQSDJFVPM-APWZRJJASA-N 308.381 4.019 0 40 DIAB Cc1nn(-c2cc(C)c3ccccc3n2)c2c1[C@H]1[C@H](C2)C1(C)C 100498782 HRJHJSVXCGLCEV-IFXJQAMLSA-N 303.409 4.333 0 40 DIAB O=C(CN1CCCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100987016 MAVXRPCYLZJUGF-NFAVZRQZSA-N 323.480 4.190 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CN 122078581 SNWGRADGFKNELG-PAPWGAKMSA-N 305.506 4.109 0 40 DIAB O=Cc1cn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12 216954652 FRFGLJQYHVIPFO-UHFFFAOYSA-N 318.159 4.449 0 40 DIAB O=C(CCc1ccc(F)cc1)NCCCc1ccccc1Cl 223107062 MLYHEWJTKICUAO-UHFFFAOYSA-N 319.807 4.161 0 40 DIAB O=C(c1cccc(F)c1)N1CCS/C1=C/c1cccs1 225234762 FOBIONPOZACTHG-GXDHUFHOSA-N 305.399 4.075 0 40 DIAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1 225343316 RHDDIEYZZKMBFL-UHFFFAOYSA-N 308.208 4.242 0 40 DIAB CO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225633161 VFMCPGCDAILXKP-RDTXWAMCSA-N 305.418 4.008 0 40 DIAB CCN(CCc1cccs1)C(=O)Nc1ccc(Cl)cc1 520161313 VSVNSRHSFHZYLM-UHFFFAOYSA-N 308.834 4.498 0 40 DIAB Cc1ccc([C@H]2CN(CCCc3cnccc3C)CCO2)c(C)c1 585084327 BYSJMIIVROAHCT-OAQYLSRUSA-N 324.468 4.013 0 40 DIAB COc1ccc(OC(F)(F)C(F)(F)c2ccccc2)cc1 1083811099 WCFLGNZYOWXMSX-UHFFFAOYSA-N 300.251 4.459 0 40 DIAB CCN(Cc1cc(O)ccc1Cl)[C@@H](C)c1cccc(O)c1 1559572225 QOGJOBGNKVXJSC-LBPRGKRZSA-N 305.805 4.334 0 40 DIAB CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)cc(O)n1 1595431335 NNJXCNYPTHYMQV-ZDUSSCGKSA-N 324.424 4.279 0 40 DIAB CCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 535805 GKVOOVMMMDAVPQ-UHFFFAOYSA-N 318.380 4.065 0 40 DIAB O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2)o1 800879 BTJDPQCUBBJLPC-UHFFFAOYSA-N 304.758 4.309 0 40 DIAB c1ccc2cc(CN3CCC(N4CCCCC4)CC3)ccc2c1 971083 GFDUCIZPKXTZAX-UHFFFAOYSA-N 308.469 4.290 0 40 DIAB CC(C(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 3124571 KPUNBZAOKPUZHE-UHFFFAOYSA-N 319.632 4.409 0 40 DIAB biogenic CCN(c1ccc(NC(=O)Cc2cccc(F)c2)cc1)C(C)C 3446923 XAVZLEQAFGTUHZ-UHFFFAOYSA-N 314.404 4.242 0 40 DIAB CCCCC[C@@H](C)NC[C@@H](O)Cc1ccc(OCCCC)cc1 4721973 BEIBQSJRJBTTMQ-MJGOQNOKSA-N 321.505 4.327 0 40 DIAB COc1cccc2[nH]c(C(=O)Nc3cccc(Cl)c3)cc12 5352194 MBNFLDXGPITKLV-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB COc1ccc(CSc2nc3ccc(C)cc3[nH]2)cc1F 5927796 ROKZFGDPUCQFCA-UHFFFAOYSA-N 302.374 4.311 0 40 DIAB Cc1ccc2cccc(OC(=O)/C=C/c3cccc(F)c3)c2n1 6123315 WKQLLEBBVPAICF-PKNBQFBNSA-N 307.324 4.301 0 40 DIAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccn1 6840768 CMOKFLQNSPDAKI-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB COc1cc2c(cc1NC(=O)CCSC)oc1ccccc12 7971215 ZXYTZGRWZQOHGC-UHFFFAOYSA-N 315.394 4.286 0 40 DIAB O=C(/C=C/c1ccc2ccccc2n1)OCc1ccc(F)cc1 7982762 UDJQIQYRSCDAJS-VAWYXSNFSA-N 307.324 4.131 0 40 DIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/C=C\c1ccccc1 8642176 CQLPNSSOUAVJOB-AZYFTLATSA-N 301.345 4.252 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)c(Cl)c1 10775549 ATGQSDCREXSVMI-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)cc1 13683102 NKODGVKAWVXXKY-UHFFFAOYSA-N 319.389 4.022 0 40 DIAB Cc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)s1 14901415 BLAVTUZILIICQF-UHFFFAOYSA-N 311.435 4.278 0 40 DIAB Cc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C 16019817 QPZKSUDEKNMDOB-UHFFFAOYSA-N 319.364 4.107 0 40 DIAB COc1ccc(C(C)=O)cc1CN1CCc2sccc2[C@@H]1C 16420668 JQRRPZJXPQPUJH-LBPRGKRZSA-N 315.438 4.079 0 40 DIAB COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1 19872542 BIUVLLRAYUPCMA-UHFFFAOYSA-N 307.393 4.288 0 40 DIAB biogenic Cc1ccc(CCC(=O)N[C@@H]2CCc3ccccc32)cc1Cl 22009064 YNQLGRLGBJBJMW-GOSISDBHSA-N 313.828 4.385 0 40 DIAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 23076470 GALRVEJHJFICFA-UHFFFAOYSA-N 307.752 4.275 0 40 DIAB Cc1sc2c(c1C)CN(C(C)C)CN2C(=O)c1ccccc1 23402596 ADBCTSSEJGKMLB-UHFFFAOYSA-N 314.454 4.193 0 40 DIAB Cc1cccc(-n2ncc(C(=O)Nc3ccccc3C)c2C)c1 24778135 CNNANUQYGPBMRM-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB O=C(CCc1cccnc1)Nc1ccc2c(c1)Cc1ccccc1-2 32747929 XJORFNGVACXBEI-UHFFFAOYSA-N 314.388 4.224 0 40 DIAB COC(=O)c1ccc(Nc2ccnc3ccc(Cl)cc23)cc1 34925917 YJYLUCGGOVMNPO-UHFFFAOYSA-N 312.756 4.418 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 38754313 GIVZNUIQFQFWBW-INIZCTEOSA-N 309.837 4.336 0 40 DIAB CN(C(=O)CSc1ccc(F)cc1)[C@H]1CCc2ccccc21 40049954 XQZCJGYOPGGKJT-KRWDZBQOSA-N 315.413 4.064 0 40 DIAB CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1Cl 40095609 AYVALCVUYFYWNR-UHFFFAOYSA-N 310.731 4.282 0 40 DIAB COc1cccc(Sc2nc3ccccc3nc2Cl)c1 40478908 CKHITHZLQSLJMJ-UHFFFAOYSA-N 302.786 4.443 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 44843489 IQFOVHLSDQKTRG-KSSFIOAISA-N 315.388 4.169 0 40 DIAB O=C(Nc1cccc(NC(=O)c2ccsc2)c1)c1ccccc1 46001824 CLQPBNWLFLJSSC-UHFFFAOYSA-N 322.389 4.253 0 40 DIAB O=C(CCC1CCCCC1)N1CCC(c2ccc(O)cc2)CC1 48326332 BQRXJKADUNBDHP-UHFFFAOYSA-N 315.457 4.459 0 40 DIAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 52399999 LTZMPVNQKXRMSJ-MBNYWOFBSA-N 300.427 4.006 0 40 DIAB O=C(NC1CCCCCC1)c1[nH]c2ccc(F)cc2c1Cl 58378175 IZOIMZLLOFKRTH-UHFFFAOYSA-N 308.784 4.413 0 40 DIAB Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C)cc2C)c1 59472442 YNHYYXCVKADJHU-UHFFFAOYSA-N 306.365 4.163 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(F)c(F)c1F 71279777 TWNNLFHWNGJHQY-VIFPVBQESA-N 309.291 4.005 0 40 DIAB CCc1cnc([C@@H](C)N[C@@H](C)c2cccc(NC(C)=O)c2)s1 95968983 OZBQXVAJJNGJFW-NWDGAFQWSA-N 317.458 4.076 0 40 DIAB O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1C[C@H]1c1cccnc1 96410519 SEJVVYVOLYCSMA-OALUTQOASA-N 321.424 4.178 0 40 DIAB Cc1c(C[S@](C)=O)cccc1NCc1cccc2cccnc12 96482898 XGMDGXXRYBVIRS-HSZRJFAPSA-N 324.449 4.034 0 40 DIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1 195559877 KDXPRDVRXSGOII-MZRZTIOWSA-N 315.457 4.093 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COC 224684341 ZACOAGUEEJVCGN-UHFFFAOYSA-N 319.788 4.137 0 40 DIAB CCc1ccccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225040957 NLEMBPNCNPZPRE-HXUWFJFHSA-N 320.388 4.477 0 40 DIAB Cc1ccc(S[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 225061923 MHIVYZYAKJIXBB-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB Cc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2)cc1 225307454 VCAYGVWNFKOBBF-UHFFFAOYSA-N 301.817 4.240 0 40 DIAB C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 225331140 YONJMCOEHDJIRW-LLVKDONJSA-N 300.229 4.185 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)c(C)n1 225885834 HAZCGBXROUQPDT-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CC(C)C[C@@H](C(=O)N(C)Cc1cccc(O)c1)c1ccccc1 525424107 ZMULPOMBLVPXTL-LJQANCHMSA-N 311.425 4.181 0 40 DIAB Cc1ccsc1CCC(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1776008340 DLYJDPKDLRDYFT-IRXDYDNUSA-N 315.482 4.479 0 40 DIAB CC(=O)Oc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 60690 KOLFCZQWZQCTPA-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB CCOC(=O)c1cc2sccc2n1Cc1ccccc1F 1338039 WHJIBRLXEXYTEQ-UHFFFAOYSA-N 303.358 4.067 0 40 DIAB CSc1nc(Oc2ccc(F)cc2F)c2sccc2n1 1398456 NVRJNCYDOJOPGR-UHFFFAOYSA-N 310.350 4.484 0 40 DIAB COc1cc2c(cc1[C@H](C)c1cc(C)c(OC)c(C)c1)OCO2 1584151 YUJZDDQUWHOMHW-CYBMUJFWSA-N 314.381 4.201 0 40 DIAB O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccccc1 1972437 BZEAVYMPEGEFBF-UHFFFAOYSA-N 316.356 4.275 0 40 DIAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)cc1F 2515034 UIWOEEYERNHYKP-UHFFFAOYSA-N 315.363 4.182 0 40 DIAB O=C1c2ccccc2N[C@@H](c2ccco2)N1c1ccc(F)cc1 2745298 LXRXJADOPPOVEO-QGZVFWFLSA-N 308.312 4.190 0 40 DIAB COc1ccc(OC)c(C(=O)CSc2ccc(Cl)cc2)c1 3243561 FHZGZLSLCXRUOS-UHFFFAOYSA-N 322.813 4.332 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1sccc1Br 4038356 ZGCKMTQNGWQKEN-CLFYSBASSA-N 306.184 4.003 0 40 DIAB COc1ccc(-c2cc([C@](C)(O)CCC=C(C)C)on2)cc1 4344249 DKPKGZXCLOELRC-GOSISDBHSA-N 301.386 4.304 0 40 DIAB CCOc1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 5381032 JIBDNJWZNRPYDS-UHFFFAOYSA-N 323.421 4.230 0 40 DIAB CCc1ccccc1NC(=O)/C=C/c1ccc(Br)o1 5616384 ZNAPCNABIASWFZ-CSKARUKUSA-N 320.186 4.256 0 40 DIAB O=C(Cc1cccc2ccccc12)NCc1ccccc1Cl 5679046 KOXOIKPLSAJZNI-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1C(F)(F)F 5825606 YZXHZXFUHOUOCU-LLVKDONJSA-N 323.314 4.205 0 40 DIAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)OC(C)C)c1C 6254938 OVIJIIOEJPKMCS-UHFFFAOYSA-N 317.410 4.182 0 40 DIAB CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6871453 OXEJSHYQDCOHRE-UHFFFAOYSA-N 314.392 4.154 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 8390648 GYEJTIIVDYVGDL-CQSZACIVSA-N 313.397 4.225 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 8495565 PLRRSKDXQBXCRR-MRXNPFEDSA-N 309.837 4.336 0 40 DIAB C[C@H](NC(=O)Cc1cccs1)c1cccc(C(F)(F)F)c1 9366600 RZMNKMMPHRYXML-JTQLQIEISA-N 313.344 4.187 0 40 DIAB C[C@@H]1CC(=O)c2c(Oc3ncnc4sccc34)ccc(F)c21 9429131 KCOBDEXJLPQTPR-MRVPVSSYSA-N 314.341 4.313 0 40 DIAB Cc1nc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2o1 9709821 JNKMFJXUCSMEMJ-UHFFFAOYSA-N 310.397 4.291 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C)cc1 12546359 KQVGJKCLBVEHCI-CYBMUJFWSA-N 310.422 4.245 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 13019957 PWOWGTSCRKXXHD-JTQLQIEISA-N 309.196 4.188 0 40 DIAB CC(=O)O/C(=C\C=C(\OC(C)=O)c1ccccc1)c1ccccc1 13407553 DRVVPODMTGSYAF-LRVMPXQBSA-N 322.360 4.195 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Cl 14013222 IFGMWDUQQXOPGX-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB COc1ccc(C(C)=O)cc1CN(C)[C@H]1CCCc2ccccc21 15261648 NXWDZMUIBJUSAJ-FQEVSTJZSA-N 323.436 4.407 0 40 DIAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1ccc(F)cc1 15440980 ZMMDHGFOYNDDDR-OAHLLOKOSA-N 314.404 4.074 0 40 DIAB Cc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 21972903 IACSLBJCUMSHOT-UHFFFAOYSA-N 321.342 4.263 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F 22564297 JTSWHKATCDGJCO-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCc2ccccc21 24969035 MJNDILVHXMGXOI-QGZVFWFLSA-N 317.791 4.168 0 40 DIAB Brc1ccc(CCNc2nc3ccccc3o2)s1 25249783 AQDHDJHUDQHWHC-UHFFFAOYSA-N 323.215 4.306 0 40 DIAB CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]1CCCc2ccccc21 32771102 MOXZMZYCGVXMDR-IBGZPJMESA-N 322.383 4.457 0 40 DIAB C[C@@H](C1CC1)N(C(=O)c1csc(-c2ccsc2)n1)C1CC1 32814621 AINWKZFJPWETPX-JTQLQIEISA-N 318.467 4.275 0 40 DIAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2cccs2)C1 36366048 MBAMQPNUCKSMNK-JTQLQIEISA-N 319.455 4.319 0 40 DIAB O=C(O)c1ccc(Br)cc1Oc1ccc(F)cc1 36670595 ZDIJUXHEYRHPOC-UHFFFAOYSA-N 311.106 4.079 0 40 DIAB in-vitro CCN(Cc1cccc(F)c1)C(=O)Nc1cc(C)ccc1C 40095006 IYPSFRVQPPCGMD-UHFFFAOYSA-N 300.377 4.497 0 40 DIAB Cc1cc(N(C)c2ccccc2)ncc1C(=O)c1ccccc1 72223340 LLFSIYZURZTMNT-UHFFFAOYSA-N 302.377 4.389 0 40 DIAB O=C(Cc1ccccc1Cl)N(CCc1cccs1)C1CC1 75154790 QXOSFYCVVJAHKW-UHFFFAOYSA-N 319.857 4.178 0 40 DIAB Cc1cc(CNC(=O)OC(C)(C)C)cc(C)c1OCC(C)C 95095334 YKVZGHRKPPGYAH-UHFFFAOYSA-N 307.434 4.363 0 40 DIAB COc1ccc2cc(C(=O)c3ccc(N(C)C)cc3)ccc2c1 95917121 YGRBDDCHICPTKH-UHFFFAOYSA-N 305.377 4.145 0 40 DIAB C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]3(C)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 118927346 JGPUZUZZOULXJW-PPIROARLSA-N 320.517 4.387 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(O)c(Cl)c1 166399844 YFPLWVSIJPJCOK-YHYXMXQVSA-N 306.148 4.192 0 40 DIAB Cc1cccc(NC(=S)NC2(c3ccccc3)CCCC2)n1 225872854 WQUPGNLRFIUTGE-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB Cc1cc(N)ccc1-c1ccc(C(=O)N(C)c2ccccc2)o1 226303913 ZCAJSWRFUGXVKY-UHFFFAOYSA-N 306.365 4.114 0 40 DIAB c1ccc(-n2cc3c(n2)-c2ccccc2CN(CC2CC2)C3)cc1 306136701 QATOPPTWUORWJD-UHFFFAOYSA-N 315.420 4.265 0 40 DIAB CC(C)c1c(C(F)F)[nH]c2ccc(OC(F)(F)F)cc2c1=O 685938429 RLWZNTXBPPHBOU-UHFFFAOYSA-N 321.245 4.488 0 40 DIAB O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 1547139791 ASUIJTQOWIPBJV-LRSLUSHPSA-N 321.464 4.206 0 40 DIAB Cc1ccc(CSCC(=O)Nc2ccc(F)c(F)c2)cc1 563114 FUIRTTCITSFNNC-UHFFFAOYSA-N 307.365 4.145 0 40 DIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c(C)c1 570477 RMWWTYFPMYUJOL-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB Cc1cc(C)cc(NCc2cc(=O)oc3cc(C)c(O)cc23)c1 2120447 MARCFTKWIFVQAO-UHFFFAOYSA-N 309.365 4.036 0 40 DIAB biogenic COc1ccc(CCC(=O)c2ccc(Br)cc2)cc1 2516556 XNWLSONIUUHSNA-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)cc1 5426865 TYDIYNFIYQIRCQ-UHFFFAOYSA-N 311.337 4.040 0 40 DIAB biogenic Cc1cc2nc(NC(=O)Nc3ccccc3Cl)[nH]c2cc1C 6501365 VMMRGSOSZUOECO-UHFFFAOYSA-N 314.776 4.477 0 40 DIAB O=C1CCc2cc(-c3csc(-c4ccsc4)n3)ccc2N1 8102884 XKQTZXOJBFKUQB-UHFFFAOYSA-N 312.419 4.423 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)c3cc(C)no3)ccc21 8272223 KRAJSYHIFJMHMH-UHFFFAOYSA-N 319.364 4.363 0 40 DIAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)c1ccc(F)cc1 8275569 JTAIRFDRXDMRIT-UHFFFAOYSA-N 319.763 4.389 0 40 DIAB CCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1 8327849 ASGJQIDXAAUNMB-UHFFFAOYSA-N 323.348 4.097 0 40 DIAB CCCN(CCC)Cc1c(C)nc2c(C)c(C)ccc2c1O 8714058 WGZOBPKTLYUUSE-UHFFFAOYSA-N 300.446 4.488 0 40 DIAB CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 8735218 MNGADCQMSHGLCY-UHFFFAOYSA-N 319.408 4.022 0 40 DIAB CC(C)(C)c1csc(NC(=O)c2c(F)cccc2Cl)n1 8945000 OHVCKTRGCNYVJY-UHFFFAOYSA-N 312.797 4.485 0 40 DIAB Cc1ccc(NCc2cc3cccc(C)c3[nH]c2=O)cc1Cl 12492350 ZZYFJSBHDMPECF-UHFFFAOYSA-N 312.800 4.410 0 40 DIAB Cc1ccc2nc(-c3ccc(NC(=O)CC(C)C)cc3)cn2c1 12529567 NGHCGUAHNYHOGR-UHFFFAOYSA-N 307.397 4.294 0 40 DIAB C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccn1 12533150 VOUHJBFOVGEMJR-HNNXBMFYSA-N 318.376 4.365 0 40 DIAB CC[C@H](C)[C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 12799573 CITDMROAPKHIIE-CVAIRZPRSA-N 323.436 4.456 0 40 DIAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCc2ccccc21 12911477 ORIGHEWNOXUKJT-MRXNPFEDSA-N 320.219 4.340 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 13649121 WEFFWIGDPXKMCY-CHWSQXEVSA-N 315.800 4.085 0 40 DIAB CC(C)c1n[nH]c(SCc2ccccc2C(F)(F)F)n1 14140584 IRJIVFMJSLOQAX-UHFFFAOYSA-N 301.337 4.239 0 40 DIAB Oc1ccc(-c2csc(Nc3ccc(F)cc3)n2)c(O)c1 14184086 GQGCJIITZXSESD-UHFFFAOYSA-N 302.330 4.104 0 40 DIAB COc1ccc(-c2snc(C)c2-c2csc(C)n2)c(O)c1 16756740 CHKVHVCWBZZHJF-UHFFFAOYSA-N 318.423 4.265 0 40 DIAB N=C(N)S[C@H]1c2ccccc2-c2ccc(Br)cc21 17429286 NQTNUAIGIMSAQY-ZDUSSCGKSA-N 319.227 4.146 0 40 DIAB OC1=Nc2n[nH]cc2[C@@H](c2c(Cl)cccc2Cl)SC1 20730203 IEBWUYYIRJQACQ-NSHDSACASA-N 314.197 4.141 0 40 DIAB CC(C)C(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12 21596299 SWUMPQLEKRQSHL-UHFFFAOYSA-N 312.394 4.055 0 40 DIAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1C 23042555 SJCAOTMDOXCQGJ-GOSISDBHSA-N 324.424 4.257 0 40 DIAB CCCOc1ccc(NC(=O)c2ccoc2)cc1OCCC 24477909 ZRCNQGSSXYXMNO-UHFFFAOYSA-N 303.358 4.110 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1Cc1ccco1 25441314 SWCPLTIWMWIHHP-SCLBCKFNSA-N 314.429 4.055 0 40 DIAB CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)s1 30315687 YLXCLJGKOKMKNV-SNVBAGLBSA-N 321.829 4.437 0 40 DIAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC)cc1 31094988 XNTBFSVAZFTFRS-HNNXBMFYSA-N 316.426 4.298 0 40 DIAB Cc1ccc([C@@H](NC(=O)c2cc(F)ccc2F)C2CC2)cc1 32865758 ZQRVTUPPILCXPY-QGZVFWFLSA-N 301.336 4.154 0 40 DIAB CCN(CC)CC/C=C\C1(O)c2ccccc2-c2ccccc21 33935984 FGQSXDMCBOCBRH-DHDCSXOGSA-N 307.437 4.191 0 40 DIAB Cc1cccc(-c2nn3c(NCC(C)C)cc(C)nc3c2C)c1 40216815 YYEXZABKEYGUIL-UHFFFAOYSA-N 308.429 4.389 0 40 DIAB C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1Cl 40460650 LWYKGWCVQFQQNJ-LBPRGKRZSA-N 313.788 4.241 0 40 DIAB Cc1n[nH]c2c1[C@H](c1cccc3ccccc13)SCC(O)=N2 44889674 HIBXXDKCSLSOAX-INIZCTEOSA-N 309.394 4.296 0 40 DIAB CN(Cc1ccsc1)C(=O)Nc1ccccc1OC(F)F 58313229 UMJUNHDVXZJDBI-UHFFFAOYSA-N 312.341 4.013 0 40 DIAB Cc1ccc(Cl)cc1N1N=C(C(=O)O)C[C@H]1c1ccccc1 71979017 TYIXCBQLDDAIFT-INIZCTEOSA-N 314.772 4.040 0 40 DIAB CSc1ccsc1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 78796587 UQLLPVUCENLKNU-BDAKNGLRSA-N 323.405 4.321 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)s1 79493385 FMKMFEXRIRJFCI-UHFFFAOYSA-N 314.414 4.012 0 40 DIAB CC[C@@H](NCc1ncccc1F)c1ccccc1Br 90720296 VMSGHFBGCRXWDR-CQSZACIVSA-N 323.209 4.224 0 40 DIAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1csc(C2CC2)n1 95396070 SEHDJQKHEMKGQD-NILFDRSVSA-N 312.438 4.001 0 40 DIAB CC(C)CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96114712 XHKNWKLSPNRUTE-HNNXBMFYSA-N 304.821 4.361 0 40 DIAB biogenic CC[C@H](NC(=O)Nc1cccc(CSC)c1)c1nccs1 96415984 GZALIQNGKSLXBT-ZDUSSCGKSA-N 321.471 4.279 0 40 DIAB Cc1cc2c(cc1C)NC1=C(O)[C@H](c3cccc(O)c3)OC1=N2 100368223 GEZHYURDNWVPAL-KRWDZBQOSA-N 308.337 4.006 0 40 DIAB CC(C)[C@@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 103073616 NJPIMBSOKRDHJC-HXUWFJFHSA-N 322.452 4.403 0 40 DIAB Cc1cc(NC(=O)c2ccc(F)cc2C)ccc1Br 160990100 NAAIJVFDSAMHSB-UHFFFAOYSA-N 322.177 4.457 0 40 DIAB Cc1cc(N)c(NC[C@@H](Cc2ccccc2)OC(C)C)cc1C 167354750 JHUOHRJBBOWDKY-GOSISDBHSA-N 312.457 4.334 0 40 DIAB COc1ccc(CC(=O)NCc2cccc3ccccc23)cc1C 222894016 FKGAVVYZLZXOCZ-UHFFFAOYSA-N 319.404 4.016 0 40 DIAB CCCC[C@H](CC)CNC(=O)COc1cccc2c1CCCC2 225115067 UYLIUJMCWPJUSE-INIZCTEOSA-N 317.473 4.277 0 40 DIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)C(C)C 225230405 ZPFZWGMWDHROSA-PBHICJAKSA-N 305.462 4.302 0 40 DIAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cccnc1 225427547 OXYAVWWUJQZWCN-QGZVFWFLSA-N 322.408 4.038 0 40 DIAB CCCCc1ccc(Nc2ccc(C(=O)NCC)cc2N)cc1 225446390 HFMKQAKUNQQWLH-UHFFFAOYSA-N 311.429 4.105 0 40 DIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)nc1C 225897610 NCLKRKKDZALUAL-SFHVURJKSA-N 322.449 4.103 0 40 DIAB O=C(Nc1ccc2sncc2c1)c1cc(-c2ccccc2)on1 225897925 ISPLDVIHDCYYFF-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB Cc1c(N)cccc1-c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)o1 226305197 ZFYQJHOKCCCDEI-BETUJISGSA-N 312.413 4.240 0 40 DIAB CC(C)(C)OC(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 586562809 BQGHSEUKSQMANS-UHFFFAOYSA-N 310.781 4.036 0 40 DIAB Cc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1C 385149 OQQLSIARHXNCBX-UHFFFAOYSA-N 313.159 4.397 0 40 DIAB COc1ccc(NC(=O)Oc2ccc3ccccc3c2)c(OC)c1 1738530 YOKCMZSELYQIMS-UHFFFAOYSA-N 323.348 4.468 0 40 DIAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 2632673 ULWGVDFWMIYISI-LLVKDONJSA-N 308.208 4.413 0 40 DIAB COc1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 2651208 FRWOXUKCSZVUBV-UHFFFAOYSA-N 313.397 4.145 0 40 DIAB CC1=[N+](C)c2ccc(-c3sc4ccccc4[n+]3C)cc2C1(C)C 3198001 CAMQRAWHEWBOKB-UHFFFAOYSA-N 322.477 4.419 0 40 DIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCC1CCCCC1 3524938 PKEOKZQBQIJSHY-UHFFFAOYSA-N 311.425 4.161 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nncc3ccccc13)C2=O 5482352 XJNZKZAAIBPJHU-JCKWVBRZSA-N 312.438 4.116 0 40 DIAB O=C(Nc1noc2ccccc12)c1ccc(Cl)c(Cl)c1 6810197 HBUMLLQZARGINA-UHFFFAOYSA-N 307.136 4.387 0 40 DIAB CC[C@@H](C)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 7305809 MCAOELKIXCXSQQ-DNVCBOLYSA-N 311.425 4.141 0 40 DIAB Clc1ccc(C2=NN=C(Nc3ccccc3)SC2)cc1 7849369 UNEOAUMACAFRQJ-UHFFFAOYSA-N 301.802 4.259 0 40 DIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1 8497419 DJAKVMJDNHDCSL-CQSZACIVSA-N 319.788 4.145 0 40 DIAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)on1 9450487 QOHMOWJKVFOVGM-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB O=C(CCc1ccco1)Nc1ccc(Cl)c2cccnc12 12590681 DLCHUFXOYRPECR-UHFFFAOYSA-N 300.745 4.053 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C2 13378711 QDCGSCBAIQIGDY-NPEXALCXSA-N 300.398 4.163 0 40 DIAB biogenic COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)cc1 13931348 KWCZXNMWNPWDBP-AWEZNQCLSA-N 314.454 4.360 0 40 DIAB CCSc1ccccc1NS(=O)(=O)Cc1ccccc1C 20042506 LSLRXYOKAUOPFP-UHFFFAOYSA-N 321.467 4.049 0 40 DIAB Cc1ccc(O)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 23597799 FSDUSSQOLBJUSC-UHFFFAOYSA-N 311.425 4.270 0 40 DIAB CN(C)c1ccc(CCC(=O)Oc2cccc3ccccc23)cc1 24706175 CAIXIWXQDYZAOK-UHFFFAOYSA-N 319.404 4.444 0 40 DIAB c1ccc(-c2cc(CN3CCOCC3)c(-c3ccccc3)o2)cc1 31772641 MWXMOCPIXXHLNX-UHFFFAOYSA-N 319.404 4.446 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)cc2)cc1C 32602183 YTWXGOBABYUYQY-UHFFFAOYSA-N 310.802 4.033 0 40 DIAB CSc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 32774175 JTBHHQOJWCPPKX-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccccc1 44839618 ZHSQWZBDCLHETN-CXAGYDPISA-N 317.816 4.375 0 40 DIAB Cc1c(C(F)(F)F)n[nH]c1NC(=O)c1oc2ccccc2c1C 50007707 OLWAYBWFGDGXIE-UHFFFAOYSA-N 323.274 4.044 0 40 DIAB CC(C)Oc1ccc(NC(=O)Cc2ccccc2Cl)cc1 61961302 OUJYOWZTBORXGY-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB CCCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229833 KHSKSCDHJXWERX-QGZVFWFLSA-N 303.789 4.160 0 40 DIAB C[C@H]1CCCN([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 102509434 GJPPZKHLUMREPU-WDEREUQCSA-N 315.244 4.052 0 40 DIAB CCc1noc(C)c1NC(=O)Nc1ccc(C(C)=O)c(Cl)c1 121566951 VCVBJLGPNNBIJM-UHFFFAOYSA-N 321.764 4.045 0 40 DIAB CCS[C@H]1C(C)=C(C)C(=O)N1[C@H](C)CCc1ccccc1 199414601 DSRHIMVBYJBFEU-ACJLOTCBSA-N 303.471 4.266 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cccc(C)c1C 224430613 UHXGMAUTSOUFAJ-IRXDYDNUSA-N 305.462 4.403 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225017697 SHHRWRWWXBVCLX-GOSISDBHSA-N 312.409 4.367 0 40 DIAB CCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474612 ZVRQKOPKQSYIJI-UHFFFAOYSA-N 324.211 4.069 0 40 DIAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1)C1CC1 225670987 SEZLRFXFWWXEKC-LJQANCHMSA-N 319.445 4.255 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1 225722266 DVZXEDQKOZWJIK-GOSISDBHSA-N 305.418 4.009 0 40 DIAB c1ccc(C[C@H]2[C@H](OCC3CC3)CCN2CC2CCCC2)cc1 2055729668 OFQULWCQJBTWDT-LEWJYISDSA-N 313.485 4.289 0 40 DIAB Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 420346 OMAPBHGRDMQDJG-UHFFFAOYSA-N 316.813 4.500 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 568248 OGXYTHFMLIJLRF-UHFFFAOYSA-N 310.441 4.398 0 40 DIAB CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 1887998 BISANUGBRLZNKT-UHFFFAOYSA-N 309.369 4.409 0 40 DIAB Cc1ccc2oc(=O)n(CCCOc3ccccc3Cl)c2c1 2668945 MLMTXFLSQZVPGC-UHFFFAOYSA-N 317.772 4.025 0 40 DIAB Cc1cc(O)cc(C)c1NC(=O)c1ccc(Br)cc1 3120940 DVAKCDUHYYDMLC-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1Cl)c1ccccc1 3258638 CBECEEDDLVMXDI-LBPRGKRZSA-N 305.830 4.310 0 40 DIAB CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O 4162264 LDCYUQWOTSEZCL-UWHLTILDSA-N 309.453 4.486 0 40 DIAB CCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC 4972280 RUZBJWOLSQKZAL-CYBMUJFWSA-N 308.355 4.155 0 40 DIAB CCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 6094119 DJCOJBCHJKONOS-UHFFFAOYSA-N 324.449 4.326 0 40 DIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1 6347226 CXXYOXYJJIVXSW-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2)cc1 7380733 TUFJIZKCVIONJR-INIZCTEOSA-N 310.441 4.269 0 40 DIAB CCSc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 7684332 ZDLKBGPWTOUGNZ-UHFFFAOYSA-N 315.482 4.497 0 40 DIAB CCC(CC)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688761 MKVQHGDYPSIGJT-UHFFFAOYSA-N 310.369 4.463 0 40 DIAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ccccc12 7754580 GDCKBBWIXSZDGN-UHFFFAOYSA-N 311.362 4.191 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1 7935362 ZZWTYMVFKQLOJU-JTQLQIEISA-N 323.364 4.093 0 40 DIAB CCOc1ccccc1Nc1ncnc2sc3c(c12)CCC3 12650987 SICZDEONOCBOSH-UHFFFAOYSA-N 311.410 4.322 0 40 DIAB Cc1ccccc1CSc1nnc(NCc2ccco2)s1 14303891 NFTMNKOEKYUHMD-UHFFFAOYSA-N 317.439 4.344 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C)C1 20490408 URJKFHTXVUQXNI-BEFAXECRSA-N 311.425 4.256 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(F)ccc1F 22567516 GPHASGFHWRFCBN-UHFFFAOYSA-N 323.342 4.484 0 40 DIAB CN(C(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 24043778 RTJFQVLRASIOEC-UHFFFAOYSA-N 307.349 4.135 0 40 DIAB O=C(Nc1cccnc1Oc1ccccc1)[C@H]1CC1(Cl)Cl 32832645 XNSQISBYDOFCLD-LLVKDONJSA-N 323.179 4.006 0 40 DIAB Cc1ccc2nc(Cc3ccc(Br)cc3)[nH]c2c1 38982329 KIKSNMMOIQDNBM-UHFFFAOYSA-N 301.187 4.225 0 40 DIAB COc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)c(OC)c1 40247967 NGGRPLIEYYEWGT-OAHLLOKOSA-N 313.180 4.092 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1c2ccccc2C[C@H]1C 44949013 FQDGYSHMKCYAMT-OXQOHEQNSA-N 323.436 4.439 0 40 DIAB Cc1ccc2oc(-c3cc(-n4cnnc4)ccc3Cl)nc2c1 45887490 PUUKMSBUZRBYRJ-UHFFFAOYSA-N 310.744 4.037 0 40 DIAB COc1ccc(-c2nc(Cc3csc(C)n3)sc2C)cc1 46814924 ZHLSWGLJOJWJSV-UHFFFAOYSA-N 316.451 4.483 0 40 DIAB CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1C 67659063 GMHDKUVNILZJSK-UHFFFAOYSA-N 317.392 4.119 0 40 DIAB COc1ccc2c(Br)cc(C(F)(F)F)nc2c1 75893615 OYWLVNNZFBCMPN-UHFFFAOYSA-N 306.081 4.025 0 40 DIAB CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(CC)cc1 95116015 DEOULWKBCMJHEG-KRWDZBQOSA-N 310.397 4.320 0 40 DIAB COc1cc([C@@H](C)NCc2ccco2)ccc1SC(F)F 95419193 YKOOLVWHPGZBEE-SNVBAGLBSA-N 313.369 4.454 0 40 DIAB Cn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21 100811289 IAQNVSANTPGILL-VXPUYCOJSA-N 318.401 4.134 0 40 DIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1nc2c(s1)CCCCC2 102837568 RMNDWLBFADQZHZ-JHJVBQTASA-N 304.459 4.177 0 40 DIAB CC[Si](CC)(CC)c1c(Cl)cc(C(=O)O)cc1Cl 195897132 KTNHRQYRBCSGAI-UHFFFAOYSA-N 305.277 4.407 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccccc2)cc1 222870607 KOYDAPFPSWQQLU-KXBFYZLASA-N 311.425 4.284 0 40 DIAB Cc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c(C)c1 225025694 FMAQJENVHDFFEF-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB O=C(O)[C@H](Cc1ccc(F)cc1)Oc1ccc2ccccc2c1 225054868 CALRWIKWKBRDOT-SFHVURJKSA-N 310.324 4.054 0 40 DIAB CCCCOc1ccc(NC(=O)C(C)(C)C)cc1C(=O)OCC 225785099 JSVDRCKEVZWIQV-UHFFFAOYSA-N 321.417 4.027 0 40 DIAB CCN(c1cc(Cl)ccc1Oc1ccccc1)[C@H](C)C(=O)O 260677506 HBFLEBURBBCRCK-GFCCVEGCSA-N 319.788 4.432 0 40 DIAB O=C(Oc1ccccc1)c1ccccc1OC(=O)C1CCCCC1 383588 FAZGYHLFRVWTJU-UHFFFAOYSA-N 324.376 4.392 0 40 DIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(-c2ccccc2)cc1 1456751 VOYJZLPXBVTSMF-JXFKEZNVSA-N 323.436 4.427 0 40 DIAB COc1cc2cc3c(-c4ccccc4)noc3nc2cc1OC 1607642 XCKLEIYTHQZUNU-UHFFFAOYSA-N 306.321 4.060 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CC[C@@H](C)C3 2437548 XAIIGIMHPADREU-SECBINFHSA-N 324.409 4.032 0 40 DIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C)cc2)n1 3236335 BIFOPLWPMGNOJN-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccccc2)CC1 3244226 HFDRQVAMLKJWJJ-UHFFFAOYSA-N 317.429 4.021 0 40 DIAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCCc2ccccc21 3426531 PJBGIJBEORLMLJ-LJQANCHMSA-N 318.420 4.225 0 40 DIAB CC(=O)OCCCC[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4027090 RTYPTTJEBODVCN-VJANTYMQSA-N 306.446 4.404 0 40 DIAB biogenic CC(=O)Oc1ccccc1C(=O)Nc1cccc(Cl)c1Cl 4548606 YUZIMFXKPWDVDG-UHFFFAOYSA-N 324.163 4.171 0 40 DIAB CC(C)N(C)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 4692034 KAYIKQQQTHUULM-OALUTQOASA-N 315.457 4.010 0 40 DIAB CCC(CC)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 7140099 SGHKKTFMWVRJQR-UHFFFAOYSA-N 323.506 4.012 0 40 DIAB Cc1ccc(NC(=O)CSCc2cccc(F)c2)c(C)c1 7145886 QAOPEVFTQFKALY-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Clc1ccc2c(NCc3ccc4c(c3)OCO4)ccnc2c1 7813832 VCEZMHMECFTULX-UHFFFAOYSA-N 312.756 4.229 0 40 DIAB Cc1cccc(C)c1NC1=NN=C(c2ccc(F)cc2)CS1 7849227 BYCOJMPGBIXRGM-UHFFFAOYSA-N 313.401 4.362 0 40 DIAB Cc1cccc(CCCNC(=O)CCSc2ccccc2)c1 10110627 QZKSOLFCLJIROA-UHFFFAOYSA-N 313.466 4.226 0 40 DIAB CCCc1nc2c(c(C)c(C)n2Cc2ccncc2)c(N)c1CC 12324452 LHVUMCYWZPFGEO-UHFFFAOYSA-N 322.456 4.194 0 40 DIAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1Cl 12785374 XXNSBSIDQGAOGM-SNVBAGLBSA-N 324.211 4.136 0 40 DIAB Cc1noc(C)c1CSCCC(=O)Nc1cccc(Cl)c1 12881048 GFOZGOBGFOVSAU-UHFFFAOYSA-N 324.833 4.207 0 40 DIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1 13709177 NGYPTWROYLFVKV-OAHLLOKOSA-N 311.425 4.446 0 40 DIAB CSc1ncccc1C(=O)N[C@H](C)c1cc2ccccc2o1 17369136 MRZFEGCIDPETSB-LLVKDONJSA-N 312.394 4.041 0 40 DIAB C[C@@]1(C(=O)N2CCCSc3ccccc32)CC1(Cl)Cl 22191382 RMYQFMKXMSOIHB-ZDUSSCGKSA-N 316.253 4.099 0 40 DIAB Fc1ccc(-c2nc(CN3CCCc4ccccc43)co2)cc1 24226105 OXBMYZZXFDANOP-UHFFFAOYSA-N 308.356 4.434 0 40 DIAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3cccs3)cs2)o1 32922825 SRCOLRWKMPHFRB-SNVBAGLBSA-N 318.423 4.264 0 40 DIAB Cc1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 32930535 YVGXPQSVPRQMLB-UHFFFAOYSA-N 318.376 4.112 0 40 DIAB c1ccc2nc(NCCNc3nc4ccccc4s3)ccc2c1 58356999 YHESJKQFNOSNTN-UHFFFAOYSA-N 320.421 4.369 0 40 DIAB Cc1cn2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2n1 65512961 INKDXWHYLYFFKN-UHFFFAOYSA-N 324.771 4.030 0 40 DIAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)c1cccs1 72265343 HJVHILGMTHHLPD-UHFFFAOYSA-N 312.438 4.127 0 40 DIAB Cc1nc(C)c(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)o1 73933714 PJHYPZVRVONEOI-CQSZACIVSA-N 312.413 4.295 0 40 DIAB Cc1csc(C2(NCc3ccncc3Cl)CCCC2)n1 83216073 UGJACYWFWMQZLV-UHFFFAOYSA-N 307.850 4.059 0 40 DIAB c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC2)cc1 84559886 VBBYAUDFJWKFQH-UHFFFAOYSA-N 303.409 4.135 0 40 DIAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2sccc2C)S1 85412450 XEEOVKNRLQLYGC-LBPRGKRZSA-N 307.444 4.013 0 40 DIAB Nc1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 89262364 BYJPDJVMPFPXLX-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB O=C(Nc1cccc(F)c1)N[C@H](C1CCCC1)C(F)(F)F 95409427 QDTVZTIEDKDVEN-GFCCVEGCSA-N 304.287 4.068 0 40 DIAB CC[C@@](CNC(=O)c1cc2ccccc2o1)(OC)c1ccccc1 96391591 GQICWJXNKDMDEJ-FQEVSTJZSA-N 323.392 4.115 0 40 DIAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@@H]2C[C@H]1CCCC[C@@]13O4 100743093 GMYSGDXPXKUMOX-ABHMGBDOSA-N 318.457 4.131 0 40 DIAB Cc1ccc(-c2noc(-c3c(N)sc4c3CCCC4)n2)cc1 101360009 ZRJQZXVLOBBDNR-UHFFFAOYSA-N 311.410 4.235 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 113960085 KCSQGEQERYZAIV-DLBZAZTESA-N 311.425 4.257 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C)c1 113969830 HQHYUBZNWYZUBO-GOSISDBHSA-N 311.425 4.086 0 40 DIAB CNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344252 SJYWDKTWSQUTEU-UHFFFAOYSA-N 321.829 4.001 0 40 DIAB CC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225604504 ZPCNXPAUCUZMLN-GOSISDBHSA-N 307.434 4.092 0 40 DIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(F)cc1 225605187 HIOGHGNVHTZFDY-JTQLQIEISA-N 309.743 4.038 0 40 DIAB O=C(Cc1cccc(Br)c1)Nc1ccc(Cl)cc1 225612144 TUVLHSLZFDHVOP-UHFFFAOYSA-N 324.605 4.284 0 40 DIAB CCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225815935 OVMVPMVXXWDHGK-UHFFFAOYSA-N 315.413 4.381 0 40 DIAB COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1N 226293468 SRWGVFZXZFTPJL-FQEVSTJZSA-N 305.377 4.026 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352559 GZPGYXMZLYIFSH-UHFFFAOYSA-N 321.760 4.283 0 40 DIAB CC(C)COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409017736 OXAKGEIXYVAZCE-OQLLNIDSSA-N 319.426 4.166 0 40 DIAB COc1cncc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 584136936 WGWYHPNOXJGCLM-GOSISDBHSA-N 316.832 4.375 0 40 DIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@H]1C 304223 UVCNIJHXQVVPMN-LLVKDONJSA-N 318.804 4.318 0 40 DIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2ccccc2c1 361869 ZCAVWFZAYOKNPW-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB O=C(N[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1688149 MQFNDRPLCKPYRR-LJQANCHMSA-N 315.372 4.041 0 40 DIAB COc1ccc(Cl)c(-c2noc(-c3ccc(F)cc3)n2)c1 4786705 HKOZIASHIXLWJA-UHFFFAOYSA-N 304.708 4.205 0 40 DIAB O=C(Nc1cccc(F)c1)c1ccc(COc2ccccc2)o1 5353962 CIIQONBPWGXLCO-UHFFFAOYSA-N 311.312 4.250 0 40 DIAB Cc1nn2c(c1-c1ccccc1)N=N[C@@H](Nc1ccccc1)C2=O 5587329 MJMQSWVHQUIJNX-MRXNPFEDSA-N 317.352 4.034 0 40 DIAB CC[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1Cl 6510163 UUXCRRLVSXMXKY-CYBMUJFWSA-N 317.816 4.447 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1C 7756708 PVVVUICCIPYINW-JSGCOSHPSA-N 300.427 4.330 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(SC)cc1 7886496 SYPICQCVJPBGDY-QGZVFWFLSA-N 312.438 4.385 0 40 DIAB O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9059752 GTISJLVEZAMXEE-KRWDZBQOSA-N 311.429 4.197 0 40 DIAB COC(=O)c1cccc(CNc2ccc3c4c(cccc24)CC3)c1 9641681 ZEPBHJVQOYIVCN-UHFFFAOYSA-N 317.388 4.337 0 40 DIAB O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)nc1Cl 12357252 WLYFGNGVTNENPV-UHFFFAOYSA-N 302.544 4.407 0 40 DIAB Cc1cc(NC(=O)/C=C/c2ccccc2Cl)n(C(C)C)n1 13656914 MCWBWWKMMZTTCR-CMDGGOBGSA-N 303.793 4.078 0 40 DIAB Cc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709041 VFNMHFZVZSZEOM-INIZCTEOSA-N 319.404 4.232 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)cc1 13931349 KWCZXNMWNPWDBP-CQSZACIVSA-N 314.454 4.360 0 40 DIAB Cc1ccc(C(=O)Nc2ccccc2Br)cc1F 14170254 PKQYBAXLXMNZTE-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB COc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 23232865 OTFVBPCQHYBQPO-UHFFFAOYSA-N 322.767 4.152 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)NC1(c2ccccc2)CCC1 24980844 GNGGQJNSLCHMQS-UHFFFAOYSA-N 318.420 4.296 0 40 DIAB Fc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1 25360083 BIEJCKPRPLZKDE-KRWDZBQOSA-N 323.371 4.213 0 40 DIAB CN(Cc1ccco1)[C@H](C(=O)Nc1ccccc1)c1ccccc1 27354323 DOFGPMTZZSHBJF-IBGZPJMESA-N 320.392 4.091 0 40 DIAB C[C@H](NC(=O)c1cccc(F)c1)c1ccc(-n2cccc2)cc1 28221085 SSIGDKVZGGMSQY-AWEZNQCLSA-N 308.356 4.107 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 29051452 WRWBCPJQPDHXTJ-LFGUEBOJSA-N 304.474 4.061 0 40 DIAB CCOc1ccc(-c2csc(Nc3ccc(F)cn3)n2)cc1 33297005 LJHUYPBCTUWBCE-UHFFFAOYSA-N 315.373 4.487 0 40 DIAB Cc1cc(Cl)ccc1NC(=O)CCCc1nc(C(C)C)no1 40515662 YPPAWWBUSLVUIF-UHFFFAOYSA-N 321.808 4.116 0 40 DIAB O=C(Nc1ccc(F)cc1F)Nc1cc(F)ccc1Cl 51354095 ZWEJHSDXBANRKU-UHFFFAOYSA-N 300.667 4.401 0 40 DIAB CCN(C(C)C)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 58161199 VUWDRFIMVNMCJW-UHFFFAOYSA-N 324.273 4.029 0 40 DIAB COc1ccc(N(C)C(=O)c2sccc2-c2ccccc2)cn1 65741108 VFKAZMJXSMYMGO-UHFFFAOYSA-N 324.405 4.095 0 40 DIAB COCc1cccc(CNCc2cnc(-c3ccccc3)s2)c1 66972901 SJMVZDOUHLZEGJ-UHFFFAOYSA-N 324.449 4.246 0 40 DIAB CCCCn1c(O)c(C(C)=O)c2cc(Br)ccc21 96026270 TYNLCWGCZIPHRH-UHFFFAOYSA-N 310.191 4.112 0 40 DIAB O=C(CC[C@H]1CCCO1)Nc1ccccc1CCC(F)(F)F 96462305 YZGWMICJPJTPKR-CYBMUJFWSA-N 315.335 4.079 0 40 DIAB O=C1c2ccccc2N[C@@H](/C(Cl)=C\c2ccccc2)N1C1CC1 96794971 PFJUFFWDEKFBNW-FXFXYLOPSA-N 324.811 4.323 0 40 DIAB O=C(O)c1cc(Br)c(Cl)c(Cl)c1Cl 98175165 XCEFUOVULPKYHB-UHFFFAOYSA-N 304.354 4.108 0 40 DIAB CCc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1 128266289 FOELUGOYPVIHKT-UHFFFAOYSA-N 307.315 4.449 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc(C)cc1 224618895 FTGOYNGLZPINNL-WMZOPIPTSA-N 305.462 4.485 0 40 DIAB O=C(Nc1ccc(Cl)cc1)c1snnc1-c1cccs1 225788163 AXFPSMHENFJJOG-UHFFFAOYSA-N 321.814 4.172 0 40 DIAB CC(C)c1ccc(CCCNC(=S)Nc2cccnc2)cc1 225807770 SGTZANZTKOVZDX-UHFFFAOYSA-N 313.470 4.124 0 40 DIAB CCOc1cccc(NC(=S)NC2(C(C)C)CCCC2)c1 225862408 YYIHNFXWAGTAJW-UHFFFAOYSA-N 306.475 4.341 0 40 DIAB CC1(C)[C@H]2Cc3ccc(C4=N[C@H](c5ccccc5)CO4)nc3[C@@H]1C2 642814060 BQPOTNVOGYBVEV-BQFCYCMXSA-N 318.420 4.286 0 40 DIAB Cc1cccc(NC[C@@H](O)Cn2c(C)c(C)c3ccccc32)c1C 96677 PNLKKVRLATWQLK-GOSISDBHSA-N 322.452 4.348 0 40 DIAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Cl 3118790 NYDXGDQZPDDDMR-UHFFFAOYSA-N 303.667 4.084 0 40 DIAB CC(C)(C)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3371557 SOAMGJIEVGSIRI-UHFFFAOYSA-N 323.603 4.419 0 40 DIAB O=C(Nc1cccnc1)c1ncoc1-c1ccc2ccccc2c1 4932805 WAVOUDRCWAIVFF-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB CCn1c(CNC(=O)c2ccccc2F)cc2cc(C)ccc21 4973492 HOHUGXBUGOAXSG-UHFFFAOYSA-N 310.372 4.039 0 40 DIAB CC(C)c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1 5977290 PBAPFFJDPGTYJA-VMPITWQZSA-N 308.303 4.083 0 40 DIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1ccc(Cl)cc1 6060125 VOLTZPOVAKCPOT-NJAVVXAXSA-N 309.752 4.350 0 40 DIAB CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC 6439491 CAKSZZIOGIXEMI-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB Cc1ccc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2c1 8798741 OHGVHQMHGXAVGR-UHFFFAOYSA-N 323.377 4.307 0 40 DIAB COc1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1 13569709 KQJFMZUKRWWEFV-UHFFFAOYSA-N 324.449 4.354 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1 14022327 XYTCQTJFUHLBRV-MRXNPFEDSA-N 303.789 4.445 0 40 DIAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc(Cl)c(Cl)c1 14162409 JCWIACTYILMNJF-UHFFFAOYSA-N 319.550 4.433 0 40 DIAB Cn1ccc([C@H]2CCCCCN2Cc2ccnc3ccccc23)n1 19291101 BKTMPMFMIUSJOI-HXUWFJFHSA-N 320.440 4.086 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1=CCCCC1 22511759 ULMUUJZOTLGIHH-GOSISDBHSA-N 301.430 4.159 0 40 DIAB CC[C@H]1CCc2sc(C(=O)Nc3ccccc3O)cc2C1 24990919 LWTABZUISJOLIT-NSHDSACASA-N 301.411 4.221 0 40 DIAB CC1(C)C[C@@H](NCC[C@@](C)(c2ccccc2)C2CC2)CCO1 32090149 LWNXYDKNRVFMAG-ICSRJNTNSA-N 301.474 4.292 0 40 DIAB Cc1nnc(SCCc2ccccc2)n1C1CCCCC1 32721568 CDOWCDFAWIIRQZ-UHFFFAOYSA-N 301.459 4.427 0 40 DIAB Cc1ccc(-c2onc(C)c2C(=O)NCc2ccc(F)cc2)cc1 35672053 CDMSPNXCQBLDSB-UHFFFAOYSA-N 324.355 4.028 0 40 DIAB O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1ccccc1F 36619737 SASHFOGNHZHHLL-KRWDZBQOSA-N 317.791 4.385 0 40 DIAB COc1cc(OC)cc(C(=O)c2cc(Cl)ccc2Cl)c1 37378239 DAZSDDFARVJSIK-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB c1ccc(CCCSc2nnc(Cc3ccccc3)o2)cc1 40159079 ZYTVDQGDNHHUPH-UHFFFAOYSA-N 310.422 4.385 0 40 DIAB CCOc1ccccc1NC(=O)N(C)Cc1sccc1C 43332601 UHCRMFWMODIFGS-UHFFFAOYSA-N 304.415 4.119 0 40 DIAB CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(F)cc1F 43333116 SAXBYFYUJCSUGW-LLVKDONJSA-N 320.339 4.246 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccsc2)o1 43723067 DRYYPKVFFYYVHB-TZMCWYRMSA-N 304.415 4.257 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccc2C)cc1 51354269 NQRTYRVZXQJKHE-UHFFFAOYSA-N 312.369 4.124 0 40 DIAB C[C@@H]1c2ccsc2CCN1C(=O)CCCc1cccs1 52568172 ANUUHCZRCRKYID-GFCCVEGCSA-N 305.468 4.278 0 40 DIAB COc1ccc(-c2cnc(CN(C)c3ccccc3F)o2)cc1 60374358 MVUUMOKPBLQSOX-UHFFFAOYSA-N 312.344 4.126 0 40 DIAB CC(C)CNC(=O)N1CCc2sccc2[C@H]1c1cccs1 76454668 BJJQKEHDVFWKSK-HNNXBMFYSA-N 320.483 4.123 0 40 DIAB O=C(CCc1ccccn1)N1CCC[C@H]1c1cccc(Cl)c1 79297813 UXNNRSRYUNBMOB-KRWDZBQOSA-N 314.816 4.031 0 40 DIAB CC(C)[C@@H](CNc1ncnc2ccsc12)Nc1ccccc1 84410449 RZLRXHKUKPNYLV-OAHLLOKOSA-N 312.442 4.240 0 40 DIAB Clc1cc(CN2CC[C@@H](c3ccccc3)C2)cc2c1OCO2 84525547 PGNQWFPOUMTNQL-OAHLLOKOSA-N 315.800 4.058 0 40 DIAB CCO[C@@H](C)c1nc(C(=O)N2CCC[C@@H]2C2CCCC2)cs1 95399637 WYRSGARHNWUARO-SWLSCSKDSA-N 322.474 4.035 0 40 DIAB C[C@@H](N[C@H](C)c1nc2cc(Cl)ccc2[nH]1)c1ccncc1 95427061 ZTAAURZINKAKGE-GHMZBOCLSA-N 300.793 4.023 0 40 DIAB CCOCC1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 95959025 LNLKYZMCKHYEMN-WBVHZDCISA-N 309.494 4.114 0 40 DIAB O=C(NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccs1 101024256 LKMPOLAGRXIPAY-CPWXYTRJSA-N 309.862 4.056 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 104495758 SKFGGLMDBKPZRC-FLLBMPTCSA-N 315.501 4.488 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 224131266 JAQGGEFFVKOMJA-ZIAGYGMSSA-N 311.853 4.440 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(C)cc1C 224606330 XGOBDBXHSGHBEI-IRXDYDNUSA-N 305.462 4.403 0 40 DIAB Cc1ccc(CCC(=O)NCCCOC2CCCCC2)cc1C 225052666 LYMUJBCGHMGGEM-UHFFFAOYSA-N 317.473 4.092 0 40 DIAB O=C(NCCc1ccc(-c2ccoc2)s1)c1cccs1 390830528 LPERJAGGSFVWTR-UHFFFAOYSA-N 303.408 4.042 0 40 DIAB O=C(c1cc2c(ccc3ccccc32)[nH]1)N1Cc2ccccc2C1 592055572 XALYHAZSNBRNMP-UHFFFAOYSA-N 312.372 4.477 0 40 DIAB COc1ccc2c(c1)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C 271626 JZRSBOQDYDZQKK-HXUWFJFHSA-N 307.393 4.225 0 40 DIAB Cc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1 482397 ZKUPPBKMSFHUBD-UHFFFAOYSA-N 304.345 4.188 0 40 DIAB Cc1cc(C)cc(C(=O)OCc2ccc(Br)cc2)c1 2631789 VPFKHELUNJTMSA-UHFFFAOYSA-N 319.198 4.423 0 40 DIAB Cc1ccc(NC(=O)/C=C/c2ccc(Br)o2)c(C)c1 3187844 CXZPESXEZLHJFS-VMPITWQZSA-N 320.186 4.311 0 40 DIAB O=C(CCC1CCCCC1)Nc1cc(C(=O)O)ccc1Cl 3287843 JCWUBXPGYFKQAI-UHFFFAOYSA-N 309.793 4.337 0 40 DIAB CC[C@H](C(=O)OCC(=O)c1ccc(Cl)s1)c1ccccc1 3317948 XQNDTULFRPVENQ-LBPRGKRZSA-N 322.813 4.321 0 40 DIAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(F)cc1 3515043 SXXZHVMXYGAXAF-LLVKDONJSA-N 323.820 4.449 0 40 DIAB COc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1 3549085 NIKPJWLYXAVBGD-UHFFFAOYSA-N 305.377 4.420 0 40 DIAB CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971388 IXLDKDCXGZWNDV-UHFFFAOYSA-N 316.401 4.030 0 40 DIAB CN(Cc1ccccc1)Cc1ccccc1[C@H](O)c1ccccc1 5599790 LCBITDWMTQEONN-JOCHJYFZSA-N 317.432 4.400 0 40 DIAB Cc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 5814581 HSEQHRYNKPIAKA-UHFFFAOYSA-N 324.207 4.111 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 7053603 VRVGKBPSDKTUAX-UHFFFAOYSA-N 311.406 4.257 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl 7215065 LMSGMXQVRWMNHG-CYBMUJFWSA-N 322.191 4.247 0 40 DIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2)c(C)c1 8369796 MWQKTEIWZYKIJR-ZDUSSCGKSA-N 302.418 4.490 0 40 DIAB Cc1ccc2ccccc2c1CSc1ncnc2[nH]cnc12 8615313 OMFSQRQBUZDPOV-UHFFFAOYSA-N 306.394 4.107 0 40 DIAB Cc1noc(C)c1CN(C(=O)/C=C/c1ccco1)c1ccccc1 8941017 KOIIQMBNMTYZIL-ZHACJKMWSA-N 322.364 4.131 0 40 DIAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1 9063090 FJZBRSAIDGCJLR-UHFFFAOYSA-N 322.452 4.154 0 40 DIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC3CC3)c2c1 9596574 CIYXOWOHZJHNNR-UHFFFAOYSA-N 302.377 4.102 0 40 DIAB CC[C@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1Cl 10851453 AGBZOWDZJPLHKC-ZDUSSCGKSA-N 317.816 4.301 0 40 DIAB CSc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 11836560 VOJWLNVLPFWWHS-MRXNPFEDSA-N 315.463 4.372 0 40 DIAB C[C@@H]1CCCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2 14163064 SULJZIWIHKLCNG-GFCCVEGCSA-N 313.422 4.322 0 40 DIAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 14573769 PKBLINZCCLYQKE-INIZCTEOSA-N 311.425 4.122 0 40 DIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccccc1C)N3 15502436 ZITXGRHEDJTITL-MRXNPFEDSA-N 323.421 4.076 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 16484077 POOAHZISMLXHCJ-ZDUSSCGKSA-N 303.402 4.104 0 40 DIAB O=C(CNc1ccccc1)Nc1ccccc1Cc1ccccc1 18936640 DITCZOYMRGLDNR-UHFFFAOYSA-N 316.404 4.328 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(C)cc1 20107894 QVGNTJGDQGZEOS-GOSISDBHSA-N 311.425 4.086 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(OC(F)F)cc2)C1(C)C 22007368 MLQJCBXTOFLXOD-CABCVRRESA-N 323.383 4.143 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C 22250659 FXRUJFLZXVJUJA-UHFFFAOYSA-N 307.752 4.439 0 40 DIAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCCCCC1 24478203 NZKXMAUYSWCIQQ-UHFFFAOYSA-N 302.805 4.213 0 40 DIAB COc1ccccc1C(=O)Nc1ccc(Cl)c2ncccc12 26071185 HEKNQFAJBGLNOE-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB COc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]2)C2CC2)cc1 32848502 DJJCCXTUEIDFBI-IBGZPJMESA-N 320.392 4.058 0 40 DIAB CCNC(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1 32983200 DOQZUEDAFBCQSV-UHFFFAOYSA-N 316.445 4.125 0 40 DIAB CC(C)C(=O)Nc1cc(NC2CCCCC2)c(N)cc1Cl 45891776 LJBUIDOPKCXYTI-UHFFFAOYSA-N 309.841 4.261 0 40 DIAB COc1ccc(CSCC(=O)Nc2ccc(C)c(C)c2)cc1 59503551 YLSUJKMZTOXNJE-UHFFFAOYSA-N 315.438 4.184 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(-c3nc(C)cs3)cc2)cn1 65620579 MBXSCPMLVFNEFJ-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB COC(=O)CCCCCCCCCCCCCC(=O)OC 71404851 IAYJBOCIXHISNO-UHFFFAOYSA-N 300.439 4.404 0 40 DIAB Cc1cc(NCc2ccccc2)ncc1C(=O)c1ccccc1 72223367 NMSVTFOWFKFIFE-UHFFFAOYSA-N 302.377 4.233 0 40 DIAB CC(C)c1ccc(CN[C@H](C)CC(=O)Nc2ccccc2)cc1 75572790 SXBSVZITHPAAAI-MRXNPFEDSA-N 310.441 4.317 0 40 DIAB CC(C)c1nc(C[S@@](=O)Cc2cccc(Cl)c2)cs1 78394565 VSZHYSJUBCVYEG-LJQANCHMSA-N 313.875 4.369 0 40 DIAB Clc1cc(Cl)nc(-c2ccc(Br)cc2)n1 82473692 JIYYBQNJKKLWTP-UHFFFAOYSA-N 303.974 4.213 0 40 DIAB CC(C)[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccccn1 96418141 SLQAHQHHISCQMR-GOSISDBHSA-N 321.424 4.040 0 40 DIAB COc1ccc(CNc2cccnc2OC(C)C)cc1SC 97020296 QAZDCQVGPQGQHH-UHFFFAOYSA-N 318.442 4.211 0 40 DIAB O=Cc1ccc2oc(-c3cccc(Br)c3)nc2c1 216796294 VYCLMCQEIFESJV-UHFFFAOYSA-N 302.127 4.070 0 40 DIAB NC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 226244529 ZTYAWRTVBJEEJS-DUXPYHPUSA-N 316.571 4.405 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C 226324278 LXXWFWVNJMBHCX-ZDUSSCGKSA-N 311.429 4.101 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3F)nn2)cc1C 408527637 GQDKDBVBQOHPSK-UHFFFAOYSA-N 322.339 4.119 0 40 DIAB CC(C)(C)SC[C@H]1CCCCN1C(=O)OCC(F)(F)F 575414276 ZCBRFLFSXAUCIZ-SNVBAGLBSA-N 313.385 4.072 0 40 DIAB CC[C@](C)(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2362797673 UDLSODOYLXBBDX-NSHDSACASA-N 314.225 4.477 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)c(OC)c1 147326 FYLYMXIHBXDKRV-VQHVLOKHSA-N 317.772 4.009 0 40 DIAB COc1ccccc1CNC(=S)Nc1ccc(Cl)cc1C 477826 RMVLGXIMLQHYTA-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)Nc2ccccc21 483574 VSCOFHPRXFGWAC-IBGZPJMESA-N 316.360 4.333 0 40 DIAB COc1ccc(/C=C/C(=O)Nc2ccc3sc(C)nc3c2)cc1 783315 LOHGNKOMQIAMRZ-BJMVGYQFSA-N 324.405 4.265 0 40 DIAB COc1ccccc1-n1cnc2cc(NCc3ccco3)ccc21 2327379 RGGQATPNYAZVSI-UHFFFAOYSA-N 319.364 4.239 0 40 DIAB Cc1nc(N2CCCCC2)c2c3c(sc2n1)C[C@@H](C)CC3 2551542 UVVXBGJBXMYZHI-NSHDSACASA-N 301.459 4.115 0 40 DIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@H]12 4081132 KAYYIYDHRSEWHR-YHLDZXINSA-N 320.473 4.091 0 40 DIAB biogenic C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(Cl)c1 6850760 SAZGHHPRVRKUMM-ZDUSSCGKSA-N 302.805 4.483 0 40 DIAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccccn2)o1 7452433 BPIHUTWHHPLNLN-UHFFFAOYSA-N 318.380 4.087 0 40 DIAB Cc1nnc(CSc2ccc(Cl)c(C(F)(F)F)c2)o1 7787272 GBLSSEKEDJHARY-UHFFFAOYSA-N 308.712 4.343 0 40 DIAB COc1ccc2oc(C(=O)Nc3ccccc3SC)cc2c1 8166312 QPIXWEOXZGDKOD-UHFFFAOYSA-N 313.378 4.416 0 40 DIAB CCCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12 8462639 HOGMLBBSRLZPEF-UHFFFAOYSA-N 319.364 4.095 0 40 DIAB Cc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(C)o1 12575668 TXOJALLWXOGSOT-UHFFFAOYSA-N 323.396 4.225 0 40 DIAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C 12604333 TXAYTHKBXHFXLM-UHFFFAOYSA-N 321.424 4.326 0 40 DIAB Cc1ccc2[nH]cc(CCNCc3ccc4[nH]ccc4c3)c2c1 15424201 OVICMCDTXSXNRF-UHFFFAOYSA-N 303.409 4.290 0 40 DIAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3C)no2)cc1C 20896687 AYJOWKYRKYIHRS-UHFFFAOYSA-N 307.349 4.486 0 40 DIAB COc1cccc(-c2nc(Cl)n(-c3ccc(Cl)cc3)n2)c1 22125349 SARCZDQIFMWQBR-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)c1ccccc1C(F)(F)F 23153219 MFSJUFSYVADZBZ-WGPBJTTCSA-N 323.358 4.260 0 40 DIAB O=C(Nc1ccccc1O)c1cc2c(s1)-c1ccccc1CC2 25062810 LZHCEFMILRYYME-UHFFFAOYSA-N 321.401 4.472 0 40 DIAB CCCCC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC 27579692 NTGGNBVYXLRSFT-INIZCTEOSA-N 310.869 4.029 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@@H](C)SCc2ccccc2)cc1 30758346 BAAHPOHSFVOPJT-MRXNPFEDSA-N 313.466 4.275 0 40 DIAB CC(C)(C)c1cnc(CN2CCC[C@@H]2c2cccc(F)c2)o1 40153835 VCDLJMQSUVYEKA-OAHLLOKOSA-N 302.393 4.448 0 40 DIAB CCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 44845699 UXGTVKMPNLWLTQ-UHFFFAOYSA-N 304.777 4.060 0 40 DIAB C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)c1ccncc1 56383509 IIAOLBAHRDUGKY-STQMWFEESA-N 317.820 4.199 0 40 DIAB CCC[C@@H]1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 58417734 VUCDEXWRLSPLLZ-CQSZACIVSA-N 314.429 4.219 0 40 DIAB CC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 71760631 DNWHZRVAAXVODV-UHFFFAOYSA-N 322.792 4.491 0 40 DIAB CCN(CC)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72212825 BESZXTKJHZCWMJ-IBGZPJMESA-N 309.457 4.265 0 40 DIAB O=C(c1ccccc1)N1CCC[C@H]1c1cnc2ccccc2c1 72219575 XPOYCDCWZWMQBH-IBGZPJMESA-N 302.377 4.212 0 40 DIAB O=C(COC1CCCCC1)Nc1ccc(-c2ccccc2)cn1 84562664 GASPAAVRGNBWFA-UHFFFAOYSA-N 310.397 4.036 0 40 DIAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCCC12CCCCC2 95444173 NTENMQBYMAGCMP-JKSUJKDBSA-N 301.405 4.255 0 40 DIAB Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CCCC[C@@H]1C 95942304 WCXUJDUXMGBZEZ-WFASDCNBSA-N 313.401 4.350 0 40 DIAB CC/C(=C\C(=O)NCc1cccc(OC)c1)c1ccc(C)cc1 96035175 IUDSNPUUQRQAKG-GHRIWEEISA-N 309.409 4.113 0 40 DIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cccc2ccccc12 100189131 SHQYWKYPVMUKHC-UWJYYQICSA-N 315.420 4.200 0 40 DIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCCC5)(C4)C2)C3)cc1 100648868 AMTDHOJDCOQKRW-HTAFUYNTSA-N 323.480 4.455 0 40 DIAB CC1=Nc2ccccc2/C1=N\Nc1ccccc1Br 101111311 GIXUBOSVAPKRGN-CYVLTUHYSA-N 314.186 4.371 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2ccccc2)cc1 222870922 XZBDMRHWCHIZMO-LJQANCHMSA-N 311.425 4.065 0 40 DIAB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223012158 ZJPPUFJAYNHHOZ-HXUWFJFHSA-N 323.436 4.455 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cc(C)ccc1C 224293775 OZNKRLWOGJMMMU-SJORKVTESA-N 305.462 4.403 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1C 224433398 DKZKYAYHSWOERM-IAGOWNOFSA-N 305.462 4.485 0 40 DIAB CC(C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225264711 WSGVNTHSRGAZTD-UHFFFAOYSA-N 313.788 4.022 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OC)cc2)CCC[C@@H](C)C1 225660668 SLKPOYSFSLAESI-RDTXWAMCSA-N 305.418 4.009 0 40 DIAB O=C(NCc1ccc(-c2ccsc2)o1)NCc1cccs1 575609860 ISAMZSKLYHZVRC-UHFFFAOYSA-N 318.423 4.069 0 40 DIAB CC(C)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 264152 SJYRQNOZWFJUBH-UHFFFAOYSA-N 320.392 4.216 0 40 DIAB Cc1ccc(OC(=O)c2cc(F)c(Cl)nc2Cl)cc1 385145 SBINEIVDICWWER-UHFFFAOYSA-N 300.116 4.055 0 40 DIAB CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 1211435 YKFCMTKOGMBUNV-XFXZXTDPSA-N 317.391 4.097 0 40 DIAB COc1nc2ccccc2cc1-c1noc(-c2ccc(F)cc2)n1 1430075 GHOZYHMNKHAWBW-UHFFFAOYSA-N 321.311 4.100 0 40 DIAB Clc1c(CSc2nc3ccccc3o2)nc2sccn12 2685214 OTIAKHIRDYQMPT-UHFFFAOYSA-N 321.814 4.483 0 40 DIAB CSc1cccc(NC(=O)c2cccc(Br)c2)c1 3548774 JTCSLZGDJBNOPD-UHFFFAOYSA-N 322.227 4.423 0 40 DIAB Cc1cc(OCC(=O)Nc2nccs2)c(C(C)C)cc1Cl 3549611 ZPTOEJKSYPTPGS-UHFFFAOYSA-N 324.833 4.246 0 40 DIAB CCCCCC[C@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1 4696211 OQCWOPABOFCUMX-FQNOHDAGSA-N 319.445 4.192 0 40 DIAB CN[P@@](=O)(Oc1ccccc1)OC12CC3CC(CC(C3)C1)C2 4966322 DBUAJLPJJLNVRX-FCXUEDCTSA-N 321.357 4.378 0 40 DIAB O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc2ccccc12 5021757 GGAVFTCLDVAWHV-VKAVYKQESA-N 324.383 4.494 0 40 DIAB CCC(CC)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 5792005 AHLXKEZVFZQXCQ-UHFFFAOYSA-N 323.458 4.178 0 40 DIAB O=c1c2c3c(sc2[nH]c(=S)n1C1CCCC1)CCCC3 6015950 ANPYKVSFQBSBNP-UHFFFAOYSA-N 306.456 4.114 0 40 DIAB CSc1cccc(NC(=O)CSCc2ccccc2)c1 7093826 OCSJQNGIBSXEHZ-UHFFFAOYSA-N 303.452 4.280 0 40 DIAB O=C(Cc1cccc2ccccc12)Nc1ccnn1C1CCCC1 7705600 DDGNIBZRVMHKNH-UHFFFAOYSA-N 319.408 4.333 0 40 DIAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccco1 8359887 CDQNJAYFYURBEK-CYBMUJFWSA-N 311.406 4.402 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2cc(C)on2)cc1 8935711 UOOZVNAJQIZXKD-UHFFFAOYSA-N 324.336 4.036 0 40 DIAB CC(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10407970 BFBQRUNNTGPLOL-UHFFFAOYSA-N 311.381 4.110 0 40 DIAB C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccsc2)no1 12597780 PJDFCMHRKAWLOD-LBPRGKRZSA-N 311.410 4.139 0 40 DIAB CC(C)(C)OC(=O)N1CC[C@@H](N)c2c(Cl)cc(Cl)cc21 12647689 LDZWNGAENNODAS-SNVBAGLBSA-N 317.216 4.138 0 40 DIAB Clc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 13121871 DCXOEABCLIVSFE-CHWSQXEVSA-N 316.817 4.139 0 40 DIAB Cc1ccc(C(=O)N2CCc3cc4cc(C)ccc4nc32)cc1 15841844 PMHXVHFJVPUOAR-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20136911 VTEIIBGYQNBFBY-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1 20239995 MXCJSRLMJNQVJD-UHFFFAOYSA-N 305.830 4.003 0 40 DIAB COc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 24349230 PGLRAWFOUUXSTC-UHFFFAOYSA-N 320.348 4.135 0 40 DIAB O=C(CCC1CCCCC1)Nc1ccc2c(c1)OCCCO2 30678599 UCXPQFKZNUFEJU-UHFFFAOYSA-N 303.402 4.147 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C)c3ncccc23)c1 31092737 XRNLOKJIGQTYDT-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB C[C@H]1CCc2sc(C(=O)Nc3nc4ccccc4o3)cc2C1 32738392 SCEUGASVQAOXGH-JTQLQIEISA-N 312.394 4.266 0 40 DIAB Cn1cc(C(=O)Nc2nc3ccccc3s2)c2ccccc21 40268551 LJCQFHYDKQKPEI-UHFFFAOYSA-N 307.378 4.040 0 40 DIAB Cc1ccc(F)c(NC(=O)NCCSc2ccccc2)c1 43351274 WGZHMFNHUAPDFX-UHFFFAOYSA-N 304.390 4.048 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 44899829 KKBZEIDGHGBAJR-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB CCc1ccc2oc(-c3cc(-n4cnnc4)ccc3Cl)nc2c1 45887647 NNCGCWQKQLOJQT-UHFFFAOYSA-N 324.771 4.291 0 40 DIAB Cc1cc(CNC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 70640550 JBSWHCNMGAUOQV-UHFFFAOYSA-N 312.291 4.237 0 40 DIAB CCCN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219299 IWJWMHAEJNKPOM-SFHVURJKSA-N 301.478 4.317 0 40 DIAB CC(C)[C@H](NC1CCOCC1)c1ccc(C(F)(F)F)cc1 90664410 VONJRMZOFJTJLS-HNNXBMFYSA-N 301.352 4.171 0 40 DIAB FC(F)(F)c1ccc(NN2CCCCC2)cc1Br 95081572 NLRXBVSFJHZXEB-UHFFFAOYSA-N 323.156 4.281 0 40 DIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 95116828 FGXRMHKOYLCDOF-HNNXBMFYSA-N 322.389 4.333 0 40 DIAB CC(C)c1cccc(NC(=O)c2ccc(-c3ncon3)cc2)c1 95389721 UBSMNDVCWFGTND-UHFFFAOYSA-N 307.353 4.112 0 40 DIAB Cc1cccnc1CNC(=O)Nc1c(C)ccc2ccccc12 95416981 LKVUHWWFNUTRSZ-UHFFFAOYSA-N 305.381 4.173 0 40 DIAB CC(C)n1ccc(=O)nc1S[C@@H](C)c1cccc(Cl)c1 95948589 GCKHMUQIZOTTKT-NSHDSACASA-N 308.834 4.331 0 40 DIAB Cc1ccc([S@](=O)Cc2csc(C(C)(C)C)n2)cc1C 95953341 GADXMDWAPFFJCX-FQEVSTJZSA-N 307.484 4.365 0 40 DIAB Fc1cccc([C@H](NCc2cc[nH]n2)c2cccc(Cl)c2)c1 96466809 METHTSARHUZFKP-QGZVFWFLSA-N 315.779 4.081 0 40 DIAB CC(=O)c1cccc(OC(F)(F)F)c1NC(=O)OC(C)(C)C 199831508 HLZNIGJJBGIKCM-UHFFFAOYSA-N 319.279 4.135 0 40 DIAB Cc1ccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)cc1C 225077924 KNLVTRQIRFFBRU-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(F)c2)c1 225523556 KWAJCALOUCZHLN-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB CCc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1 225573588 FCYOCCXTSJTUDV-ZDUSSCGKSA-N 301.817 4.322 0 40 DIAB O=Cc1sc2cc(Br)ccc2c1C(F)(F)F 396264285 AAQBSBVLGCWTJE-UHFFFAOYSA-N 309.106 4.495 0 40 DIAB C[C@@H](N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 508699458 RESUTTWFXRXMTK-DBXWQHBBSA-N 308.469 4.248 0 40 DIAB CC1(C)[C@@H](C(=O)n2cnc3ccccc32)[C@@H]1C=C(Cl)Cl 140856 YFQPEAYZAUNOKQ-TVQRCGJNSA-N 309.196 4.268 0 40 DIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2nccnc2c1 303139 JROPAEPSBBWWIE-UHFFFAOYSA-N 320.396 4.074 0 40 DIAB Cc1ccc2nc(-c3ccccc3O)c(NC3CCCC3)n2c1 904123 KAMBPTQXOKEIAQ-UHFFFAOYSA-N 307.397 4.370 0 40 DIAB O=C(/C=C/c1c(F)cccc1Cl)N1CCCc2ccccc21 994733 RVWDPAAUSNPBMM-ZHACJKMWSA-N 315.775 4.472 0 40 DIAB COc1ccc(-c2c(-c3ccccc3)oc3ncnc(N)c23)cc1 1099741 XGGSXHPYSZAAAQ-UHFFFAOYSA-N 317.348 4.148 0 40 DIAB O=Cc1c(SCc2cccc(Cl)c2)nc2sccn12 1384865 FJMAPSRCMFZZPQ-UHFFFAOYSA-N 308.815 4.154 0 40 DIAB CC1(C)C2=CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 1706980 AESDMFRTIWNVNV-UXUFTUPFSA-N 318.501 4.307 0 40 DIAB CCOc1ccc2[nH]c(SCc3ccccc3OC)nc2c1 1926954 DYJMOKAIELPPJS-UHFFFAOYSA-N 314.410 4.263 0 40 DIAB Cc1[nH]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2c1CCN 4237551 JQYGCDBGMIWPGD-UHFFFAOYSA-N 308.469 4.445 0 40 DIAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 4660755 SKXMTVZOFRJIFN-AWEZNQCLSA-N 303.427 4.309 0 40 DIAB CC(C)OC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887769 ZSDHSBCDXLZBGK-SXLOBPIMSA-N 322.404 4.095 0 40 DIAB COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O 5999083 TXELARZTKDBEKS-UHFFFAOYSA-N 312.409 4.316 0 40 DIAB biogenic,in-vitro COc1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 6010725 VZYJEWGVMYDXKG-AWEZNQCLSA-N 321.376 4.254 0 40 DIAB COc1cccc(CN(C)C(=O)/C=C/c2cccc(Cl)c2)c1 6559357 LGTLTAUDHDTDSW-MDZDMXLPSA-N 315.800 4.020 0 40 DIAB CCOc1ncccc1C(=O)Nc1c(C)cc(C)cc1Cl 6590478 DDAKWOACZJZWIT-UHFFFAOYSA-N 304.777 4.003 0 40 DIAB Cc1nnc(NC(=O)c2ccc(C3CCCCC3)cc2)s1 7735107 IVIVHMVQYQHACB-UHFFFAOYSA-N 301.415 4.147 0 40 DIAB Cc1nc(N[C@@H](C)c2ccccn2)c2c3c(sc2n1)CCC3 8053787 KIWYWZOBYHMMGO-JTQLQIEISA-N 310.426 4.057 0 40 DIAB Cc1nc2c3ccccc3nc(SCc3ccccc3C)n2n1 9939936 CYINGXPKZHGBQP-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB O=C(NC1CCCCCCC1)c1ccc(CN2CCCC2)cc1 10313839 LPGKRQPUBAAHPE-UHFFFAOYSA-N 314.473 4.125 0 40 DIAB Cc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 10331315 XIZPCVVIDCLEHM-UHFFFAOYSA-N 318.214 4.329 0 40 DIAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(OC(C)C)c1 10715469 ZFEMKQWFOJJHGD-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB Cc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)c(C)c1 11914566 GMSDWNWAKMJLRK-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 12758984 GMWZCZMYMOWGHD-UHFFFAOYSA-N 319.282 4.382 0 40 DIAB CCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 13934134 ANLIMNFJDNEJDY-UHFFFAOYSA-N 310.772 4.445 0 40 DIAB CC(=O)Nc1c(-c2nc3ccccc3nc2C)oc2ccccc12 16265582 OPPYJOBAYYAAAK-UHFFFAOYSA-N 317.348 4.310 0 40 DIAB CC(C)(C)CN1CCO[C@H](c2ccc(Cc3ccccc3)cn2)C1 19692875 WYCXXFOEMVHGKI-FQEVSTJZSA-N 324.468 4.092 0 40 DIAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1cccs1 24148793 SMIHJGQIMJERCL-JTQLQIEISA-N 305.428 4.053 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)c1sccc1-n1cccc1 25153337 GZUKHAHBHOOZRJ-UHFFFAOYSA-N 304.321 4.069 0 40 DIAB C[C@H](Sc1ncc2ccccn12)C(=O)c1c[nH]c2ccccc12 26371639 HHUSOPROLBQDTC-LBPRGKRZSA-N 321.405 4.179 0 40 DIAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(F)cc1 30862557 FLFHYQLZICTZJJ-CQSZACIVSA-N 317.429 4.326 0 40 DIAB O=C(Nc1ccc(F)cc1F)c1cc(-c2cccc(F)c2)no1 36390845 TVSWQMNISZGILP-UHFFFAOYSA-N 318.254 4.011 0 40 DIAB CC(=O)c1cnc2sc(C(=O)OC3CCCCC3)c(C)c2c1 40086743 KBHKKIAMLWGMEO-UHFFFAOYSA-N 317.410 4.297 0 40 DIAB CC(C)Sc1ncc(-c2ccc(Br)cc2)n1C 44085245 XOOULQKEVKJLPW-UHFFFAOYSA-N 311.248 4.350 0 40 DIAB O=C(NCC[C@H](O)c1cccc2ccccc12)Nc1ccccc1 77118916 YNSVAFZELQZRGI-IBGZPJMESA-N 320.392 4.085 0 40 DIAB CC(C)N(C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(C)C 78612615 WYEZFUOAOCMMOT-CABCVRRESA-N 313.363 4.454 0 40 DIAB O=C(NCCc1csc2ccccc12)NCc1cccs1 79010701 GAJSDATXYCTPNJ-UHFFFAOYSA-N 316.451 4.005 0 40 DIAB CC(C)(C)n1cc(CN2CC[C@@H]2c2ccc(Cl)cc2)cn1 93686331 XJTAMQGNTWILEK-MRXNPFEDSA-N 303.837 4.239 0 40 DIAB O=C(NCc1ccccc1)c1ccc(Oc2cccc(F)c2)o1 96183959 GUCSWWALNRRPPI-UHFFFAOYSA-N 311.312 4.141 0 40 DIAB CC(C)N(C(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(F)cc1 97000403 BCIUXDPGMQDBTL-CYBMUJFWSA-N 304.192 4.151 0 40 DIAB C[C@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@](C)(C3)C2 100980704 LRFUYLAMPZGXQB-NBLCHNQSSA-N 304.478 4.367 0 40 DIAB Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccccc1 197301038 RQSFTMACTVRAMV-UHFFFAOYSA-N 303.287 4.140 0 40 DIAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 216886731 SEBSMMXDZPEBEV-KPKJPENVSA-N 316.784 4.495 0 40 DIAB O=C(O)[C@@H](Cc1ccc(F)cc1)Sc1ccc(Cl)cc1 225055114 UTCBSOZODAJYOG-CQSZACIVSA-N 310.777 4.267 0 40 DIAB Cc1cccc(CCCNC(=O)CCc2ccc(Cl)cc2)c1 225305279 LDTCFYULDPWQBH-UHFFFAOYSA-N 315.844 4.330 0 40 DIAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1 225629684 UAFAMLGFGWJQGP-CQSZACIVSA-N 309.409 4.065 0 40 DIAB Cc1ccc(-c2nnsc2C(=O)Nc2cc(C)ccc2C)cc1 225773623 VRTLLJVZEOHOMI-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1ccnc(NCc2ccc(-c3ccccc3C(=O)O)cc2)c1 257219920 DIVBKDZBHHEXCH-UHFFFAOYSA-N 318.376 4.367 0 40 DIAB COc1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1 71678 RHURAQJSKPCOOZ-UHFFFAOYSA-N 306.365 4.498 0 40 DIAB CCc1nc(-c2ccc(OC)cc2)cc2cc(OC)c(OC)cc12 245161 BUGSYDKUGSZGRS-UHFFFAOYSA-N 323.392 4.490 0 40 DIAB biogenic CC(=O)c1ccc(-[n+]2c(C)cc(-c3ccccc3)cc2C)cc1 1598325 COWGAERAJNYUIA-UHFFFAOYSA-N 302.397 4.450 0 40 DIAB Cc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 3169925 YAWYCSZDWYTIHF-UHFFFAOYSA-N 311.388 4.429 0 40 DIAB COc1ccccc1CCC(=O)Nc1ccc(C)cc1Cl 3323250 QBCZZBAFNHRYEB-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCC1CCCCC1 3443694 PVPSYPUKACVKGL-CYBMUJFWSA-N 309.837 4.112 0 40 DIAB COc1ccc(CSc2ncnc3sccc23)cc1F 3447133 GAMMZILITSIIPO-UHFFFAOYSA-N 306.387 4.131 0 40 DIAB O=C(CSc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 3598166 ZEEVWIZRSYBYSC-KRWDZBQOSA-N 315.413 4.112 0 40 DIAB CN(C)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 4253547 JNAWBSRKAJHTJB-UHFFFAOYSA-N 312.457 4.298 0 40 DIAB CCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5246781 PCKOMWNPQHUIMJ-UHFFFAOYSA-N 314.454 4.415 0 40 DIAB CC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12 5288086 RCYKXKBZRNWHTO-NSHDSACASA-N 314.435 4.428 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NC2CCCCCCC2)c(C)c1 8495940 CIOQKUPOEQVNJX-INIZCTEOSA-N 303.446 4.300 0 40 DIAB CSc1cccc(C(=O)Nc2nnc(C3CCCCC3)o2)c1 10881732 SHSLJROBVUNMGS-UHFFFAOYSA-N 317.414 4.092 0 40 DIAB CC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(C)n2)cc1 11907828 MUCMFNLUJUDAGE-UHFFFAOYSA-N 303.365 4.398 0 40 DIAB Cc1cc(C)n2cc(CSCc3ccc(Cl)cc3)nc2n1 12589102 ITZSPAOXUOFSKS-UHFFFAOYSA-N 317.845 4.433 0 40 DIAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(C)n1C1CC1 12814528 MRZMEGCDPOKJRE-JKSUJKDBSA-N 300.446 4.092 0 40 DIAB CC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 13423760 DFQIPZIKAWWOOR-OHFNBNKZSA-N 318.501 4.451 0 40 DIAB biogenic,in-vitro C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1 13708826 LQHJHSGCZYBTOB-HZPDHXFCSA-N 319.404 4.485 0 40 DIAB COc1ccccc1NC(=O)NCc1cccc(C(F)(F)F)c1 18177695 SEQKIXRJHADBRQ-UHFFFAOYSA-N 324.302 4.036 0 40 DIAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccco3)cs2)cc1 18209972 GDEZOXXDLZQEJI-LBPRGKRZSA-N 312.394 4.203 0 40 DIAB CC[C@H](Nc1ccccc1OC)C(=O)Nc1cccc(C)c1C 20296725 IMPYBYPVFHESIP-HNNXBMFYSA-N 312.413 4.141 0 40 DIAB Cc1ccc(NC(=O)CSCc2cccc(F)c2)cc1C 23413752 FZNLQLFBOFMPQI-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB COc1cc2c(cc1CN[C@@H]1CCCc3ccccc31)O[C@H](C)C2 25259850 KOQNBDLESMLTMX-AUUYWEPGSA-N 323.436 4.186 0 40 DIAB Cc1cc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1 25999494 YGDFHHBELNDCKA-UHFFFAOYSA-N 315.376 4.137 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC)cc1 30854083 NVGFPRNIQYTRPC-OAHLLOKOSA-N 319.788 4.145 0 40 DIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccccc1 30860989 RSWJPDRFFVQHFD-CVEARBPZSA-N 311.425 4.455 0 40 DIAB CC(C)(C)c1nnc(COc2c(Cl)cccc2Cl)o1 48375206 YBONHQXFJPFYKS-UHFFFAOYSA-N 301.173 4.253 0 40 DIAB CCc1ccccc1NC(=O)[C@H](c1ccccc1)n1cccc1 49030940 PSCVOHBPTQFEKY-IBGZPJMESA-N 304.393 4.279 0 40 DIAB Cc1nc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cs1 49307360 RFPMYKXGGMIUMN-UHFFFAOYSA-N 315.225 4.031 0 40 DIAB Cc1ccc(-c2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1C 49469631 QEMICNOPSSXUND-UHFFFAOYSA-N 319.364 4.202 0 40 DIAB Clc1ccc([C@H]2CN(c3nc4ccccc4o3)CCO2)cc1 52489746 CKLIZSMUHPPSIZ-MRXNPFEDSA-N 314.772 4.059 0 40 DIAB C[C@H](c1cccnc1)N(C(=O)c1cccc(Cl)c1)C1CC1 65605540 HTARAFSAKRSCPL-GFCCVEGCSA-N 300.789 4.101 0 40 DIAB C[C@H](c1ccccc1Cl)N(Cc1nnc(C2CC2)o1)C1CC1 69563805 UFKONMCHEVRICP-LLVKDONJSA-N 317.820 4.326 0 40 DIAB CCOc1ccc(NC(=S)Nc2ccc(F)c(C)c2)cc1 71326119 NQVQMBCXTVVPKA-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB COc1cccc(OC)c1[C@H]1CCCCN1Cc1ccccc1 72221445 FWESDVIDVZECEL-QGZVFWFLSA-N 311.425 4.431 0 40 DIAB CC(C)c1nc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)cs1 84631043 CDPYAFQHVQENRQ-PRWKNARSSA-N 311.447 4.416 0 40 DIAB C[C@@H](N[C@H](c1cnn(C)c1)C(C)(C)C)c1ccc(F)cc1F 95986422 JHEZRMXBVUXTNG-BDJLRTHQSA-N 307.388 4.136 0 40 DIAB Cc1ccc(NC(=O)/C=C2\c3ccccc3CC(C)(C)N2C)cc1 100742289 HTFCOEUXVITUGL-CPNJWEJPSA-N 320.436 4.241 0 40 DIAB biogenic CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113959642 AXHRAZPFOAPVEU-APWZRJJASA-N 311.425 4.338 0 40 DIAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637257 GNPHZALVPCVCAE-KUHUBIRLSA-N 319.445 4.318 0 40 DIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)cc1 225701932 IPLHVRAPOKRXKZ-GOSISDBHSA-N 307.434 4.399 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 225894351 XWLHPLSXDODBNZ-UHFFFAOYSA-N 321.424 4.477 0 40 DIAB COc1ccc2c(Cl)c(C(=O)NC(C)C)sc2c1Cl 408971690 PGSCSNUMSVMPGX-UHFFFAOYSA-N 318.225 4.355 0 40 DIAB CCOC(=O)c1ccc(C(=O)[C@H](CC)c2ccccc2)s1 575361697 HLNIONCNNFPJIE-CYBMUJFWSA-N 302.395 4.301 0 40 DIAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cccs1 112830 FIVZVBBPEGILGD-UHFFFAOYSA-N 322.389 4.253 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 282887 WKJRRZTWLKIZNV-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1cc(C)cc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 385281 YFKWXDYWSDDWGF-UHFFFAOYSA-N 320.421 4.060 0 40 DIAB c1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1 411331 ZBYIQHWLXOPTIF-UHFFFAOYSA-N 304.378 4.058 0 40 DIAB Clc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1 538317 MSDPWCWPZYLRNS-UHFFFAOYSA-N 312.785 4.173 0 40 DIAB CCN(CC)CCOC(=O)[C@H](c1ccccc1)[C@@H]1C=CCCC1 1710810 SGFGQSKEXCCYTI-RTBURBONSA-N 315.457 4.012 0 40 DIAB O=C(Cc1ccccc1F)Nc1ccc(SC(F)F)cc1 2632506 JSHIGTIDHUCMNI-UHFFFAOYSA-N 311.328 4.322 0 40 DIAB Cc1ccc(NCc2nnc(SCc3ccccc3)n2C)cc1 4125468 OMLGBZGHLGYREO-UHFFFAOYSA-N 324.453 4.028 0 40 DIAB Cc1ccc(C)c2sc(NC(=O)c3cccc(F)c3)nc12 4330855 XKSRQFVRRIVKFR-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CN(C)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 4537483 KBGPTRHFMZERIT-JXCVUKRWSA-N 301.817 4.105 0 40 DIAB CCCOC(=O)[C@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887740 UDSAQBHGHLEDPY-SXLOBPIMSA-N 322.404 4.096 0 40 DIAB CN(Cc1ccccc1)C(=O)/C(=C/c1ccco1)c1ccccc1 5266632 BKSLSXBEKMMDAE-HMMYKYKNSA-N 317.388 4.479 0 40 DIAB CCc1ccc(NC(=O)CNc2cccc3ccccc23)cc1 7955284 WMELKXADFYYLFC-UHFFFAOYSA-N 304.393 4.453 0 40 DIAB c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)nc1 9364438 FIRTVNRJWCZONW-UHFFFAOYSA-N 314.439 4.029 0 40 DIAB Cc1cccc(NC2=NN=C(c3c(F)cccc3F)CS2)c1 9468390 PRCDLVDBQJJHIT-UHFFFAOYSA-N 317.364 4.192 0 40 DIAB O=C(c1cccc(COc2ccccc2Cl)c1)N1CCCC1 9724396 AGOJDZNQFUPFKD-UHFFFAOYSA-N 315.800 4.155 0 40 DIAB COc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)cc1 12460053 QWGFCMPEUGSXTD-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB COc1ccc(CNc2cccc3nc(C(F)(F)F)[nH]c23)cc1 12474118 ASCQPBRXDUTUJP-UHFFFAOYSA-N 321.302 4.202 0 40 DIAB Cc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 12988328 OILSCJFLAKQALW-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 15471779 JUVBMGDGTODCRR-CQSZACIVSA-N 311.425 4.484 0 40 DIAB CC1(C)CC(=O)CC(C)(C)C1NC(=O)Nc1ccc(Cl)cc1 16577691 CPJFQCPTDHPIEI-UHFFFAOYSA-N 322.836 4.245 0 40 DIAB COc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1Cl 24833172 ZDTLDALVFCUIHR-OAHLLOKOSA-N 315.800 4.407 0 40 DIAB O=C(NCC1CC1)c1ccccc1SCc1ccsc1 25574507 WTIARAPUTCHXGT-UHFFFAOYSA-N 303.452 4.180 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 30847553 JGJLGOFBUHXLGY-ZDUSSCGKSA-N 319.351 4.296 0 40 DIAB C[C@H](NC(=O)N[C@@H]1CCCc2occc21)c1ccccc1Cl 32803529 LWFRGQQLMJLQEW-XHDPSFHLSA-N 318.804 4.371 0 40 DIAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CN 35074950 SNWGRADGFKNELG-GCNBINEPSA-N 305.506 4.109 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 44843504 IQFOVHLSDQKTRG-RDTXWAMCSA-N 315.388 4.169 0 40 DIAB O=C(/C=C/c1ccccn1)Nc1cccc(OC2CCCC2)c1 55178923 BRCBBNBGDPFXKY-VAWYXSNFSA-N 308.381 4.055 0 40 DIAB CCCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 57503895 IKNJMIABBUCNKX-IBGZPJMESA-N 306.409 4.482 0 40 DIAB O=C(NCc1cccnc1)Nc1cccc(-c2ccsc2)c1 69950853 AVMUDKFISNMYDF-UHFFFAOYSA-N 309.394 4.132 0 40 DIAB CN(C(=O)COCc1ccccc1)c1c(Cl)cccc1Cl 83867955 ZEEGWWIWTODEFZ-UHFFFAOYSA-N 324.207 4.173 0 40 DIAB COc1ccc(CC(=O)c2ccccc2OC(F)(F)F)cc1 95917456 PERPYNOYHIIGRQ-UHFFFAOYSA-N 310.271 4.019 0 40 DIAB O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1C[C@@H]1c1cccnc1 96410517 SEJVVYVOLYCSMA-MOPGFXCFSA-N 321.424 4.178 0 40 DIAB CC1(C)C[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(O)C3 98214416 YVJJGMPQYRNACB-KDRHOLLNSA-N 306.490 4.141 0 40 DIAB biogenic COC(=O)[C@H](C(C)C)N1c2ccc(C)cc2[C@@H](C)CC1(C)C 223212211 RVKSKGVWWFXSCP-YOEHRIQHSA-N 303.446 4.285 0 40 DIAB CSc1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 223234798 TZQAREMNCBNNIB-UHFFFAOYSA-N 309.793 4.382 0 40 DIAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccccc1OC 224110567 MTHSIVCYWLDHRZ-ZDUSSCGKSA-N 315.438 4.298 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccc(F)cc1 224378684 SZNDJTBSVDAXPB-UHFFFAOYSA-N 311.466 4.390 0 40 DIAB Cc1ccc(C2(NC(=S)Nc3ccncc3)CCCC2)cc1 225874310 XNPYPGLDSCBGJF-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB CCC(CC)[C@@H](NCc1nc(C2CC2)nn1C)c1cccs1 570714553 OZZRKKVVWUVJRQ-MRXNPFEDSA-N 318.490 4.021 0 40 DIAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(C)C)cc1 45009 PMCPFDDYQLLDOP-AZUAARDMSA-N 322.408 4.221 0 40 DIAB Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2Cl)cc1 146626 LKGYDHJSMKOYMG-MRXNPFEDSA-N 303.814 4.427 0 40 DIAB CCCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 189450 QWIXVPSLMKZAOW-UHFFFAOYSA-N 321.833 4.011 0 40 DIAB COc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1OC 496436 AXUYNHOCYZVAEF-UHFFFAOYSA-N 316.744 4.074 0 40 DIAB O=C(C[C@H](c1ccc(F)cc1)c1ccco1)NCc1ccccc1 521112 NEDXLYLHPZGKKX-GOSISDBHSA-N 323.367 4.257 0 40 DIAB CC1(C)CC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C1 1020845 DVWZHXSDVGYQCA-UHFFFAOYSA-N 320.432 4.416 0 40 DIAB Clc1ccccc1Sc1nc2ccccc2n2cnnc12 1388150 QCLGTMIVGCCCLG-UHFFFAOYSA-N 312.785 4.082 0 40 DIAB CC(C)(C)C1CCC(NC(=O)C(Cl)(Cl)Cl)CC1 1697857 GTJQPWGYGOTLRV-UHFFFAOYSA-N 300.657 4.078 0 40 DIAB OCCN(Cc1ccccc1)C(c1ccccc1)c1ccccc1 1745177 FWZVKZNNACLWTD-UHFFFAOYSA-N 317.432 4.271 0 40 DIAB COc1ccc([C@H](Nc2ccccc2)P(=O)(OC)OC)cc1 2055027 QLRXYBVYQWDRHH-MRXNPFEDSA-N 321.313 4.292 0 40 DIAB Cc1cc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc2n1 2726137 LEADKIJXXRRZNB-UHFFFAOYSA-N 324.811 4.169 0 40 DIAB O=C(CCCSc1nc2ccccc2[nH]1)c1ccc(F)cc1 3503685 JNZLXOQPDQSWJG-UHFFFAOYSA-N 314.385 4.457 0 40 DIAB Cc1ccc(SCC(=O)Nc2nc3ccccc3s2)cc1 4263062 IZFKBQBLWSIIMM-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB CCCC(=O)N(CCC)c1nnc(-c2cccc(C)c2)s1 4982488 LTSQWDOMJZELRV-UHFFFAOYSA-N 303.431 4.057 0 40 DIAB Cc1c(O)ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c1O 5341729 NAVQHHKNTYMEAW-UHFFFAOYSA-N 316.744 4.242 0 40 DIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)cc1 6609422 KPVKTDFPJJYBBQ-CYBMUJFWSA-N 324.405 4.409 0 40 DIAB Cc1ccc(Oc2ccc(NC(=S)NC(C)C)cc2)cc1 6865332 OEZCQLVAVMCEFV-UHFFFAOYSA-N 300.427 4.482 0 40 DIAB COc1cccc(CNC(C)(C)C)c1OCc1ccccc1F 6882594 SFLQTPUMTYVCRX-UHFFFAOYSA-N 317.404 4.301 0 40 DIAB Cc1cc(C(=O)N[C@H]2CCSc3ccccc32)c(C)s1 7779385 BFYOPIMPVUBKDF-AWEZNQCLSA-N 303.452 4.332 0 40 DIAB CN(Cc1ccc(Cl)s1)C(=O)Cc1c[nH]c2ccccc12 7979660 SNZMKLNQRLBLCQ-UHFFFAOYSA-N 318.829 4.084 0 40 DIAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1F 8094992 NKNSJPOGYYHSHQ-LBPRGKRZSA-N 315.363 4.335 0 40 DIAB C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cc2ccccc2o1 8238671 FAQZURPEGXPLOY-LLVKDONJSA-N 311.406 4.474 0 40 DIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1Cl 8320393 KUZQMODUFQSRKN-CQSZACIVSA-N 320.845 4.177 0 40 DIAB COc1ccc2[nH]cc([C@@H]3CCN(Cc4cccc(F)c4)C3)c2c1 12329466 UDDHOCQMIMZSLV-OAHLLOKOSA-N 324.399 4.305 0 40 DIAB C[C@@H](c1ccccc1)N(C)C(=O)CN1c2ccccc2CC[C@H]1C 15304130 VCWYOZXPXCWRTA-SJORKVTESA-N 322.452 4.047 0 40 DIAB CCc1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838761 OVZCKTNWRMPYEY-UHFFFAOYSA-N 321.376 4.186 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 20452045 QTJGVSKCVYMLKK-AWEZNQCLSA-N 315.438 4.431 0 40 DIAB COc1ccc(C(=O)O)cc1COc1ccc(C(C)(C)C)cc1 24549409 QLWZYJXPZOCUMQ-UHFFFAOYSA-N 314.381 4.270 0 40 DIAB COc1ccccc1[C@H](C)N(C)C(=O)/C=C/c1ccc(F)cc1 25106386 INRWZZJPTXKFIQ-UELRPHRMSA-N 313.372 4.067 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2nc3ccccc3s2)C1(C)C 25155214 NCZIUHKCUFIPEF-MLGOLLRUSA-N 314.454 4.151 0 40 DIAB CCOc1ncccc1NC(=O)c1ccc(Cl)cc1Cl 27587595 FAUZIYJCFLGHPW-UHFFFAOYSA-N 311.168 4.039 0 40 DIAB Cc1nc(-c2ccc(-c3ccccc3)cc2)c(CC(=O)O)s1 32131475 VALBXQZTMSSNFR-UHFFFAOYSA-N 309.390 4.413 0 40 DIAB Cc1cc(Oc2ccc(Br)cc2)nc(C(C)C)n1 32743496 DTKKLTVCBMTNND-UHFFFAOYSA-N 307.191 4.463 0 40 DIAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cc1 32914022 SXSHMJXVOUWCRZ-KGLIPLIRSA-N 317.816 4.123 0 40 DIAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1C(F)(F)F 40018114 DRNGDFTYBRISIY-HNNXBMFYSA-N 305.299 4.123 0 40 DIAB Cc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1Cl 40089877 BVSRBMHKXHKNRQ-UHFFFAOYSA-N 321.808 4.116 0 40 DIAB CSc1ccc([C@H](C)NC(=O)c2c(F)cccc2F)cc1 40090510 FNTOTVCLGSHFPD-JTQLQIEISA-N 307.365 4.178 0 40 DIAB CC(C)(Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 40621022 WQTNCFHPULDJOZ-UHFFFAOYSA-N 301.817 4.020 0 40 DIAB C[C@@H](Nc1ccc(N2CCOC2=O)cc1)c1c(F)cccc1F 71902558 NGUFVVYYTVWJNH-LLVKDONJSA-N 318.323 4.095 0 40 DIAB O=C([C@@H]1CC=CCC1)N(CCc1cccs1)Cc1ccco1 75170183 ANJKABDHWFBFIP-OAHLLOKOSA-N 315.438 4.269 0 40 DIAB CCOc1cccc2c(Nc3ccc(C(=O)O)cc3)cc(C)nc12 78401711 IQQKECYTQIUQGL-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB Cc1cccc(C2=N/C(=C/c3cc4ccccc4o3)C(=O)O2)c1 96935627 FRATXUKDGPBSRB-LFIBNONCSA-N 303.317 4.086 0 40 DIAB COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c1 102730932 YLHQXJHCRMVPIO-INIZCTEOSA-N 310.353 4.206 0 40 DIAB CCOC(=O)/C=C(/Nc1ccccc1Cl)c1ccccc1 104327295 FDOLBUGWLGKMOY-FOWTUZBSSA-N 301.773 4.356 0 40 DIAB Cc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 195559077 JYEZWNRBSFZXSL-HXUWFJFHSA-N 307.846 4.139 0 40 DIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2C)cc1C 223854001 SKNDRAQIPGFQNW-MRXNPFEDSA-N 311.425 4.040 0 40 DIAB Cc1cc(C)c(C(=O)NCCOc2cccc(C)c2C)cc1C 223973808 PMJBFQYDYLXFEY-UHFFFAOYSA-N 311.425 4.038 0 40 DIAB CCCO[C@@](C)(CCC)C(=O)Nc1cc(C)c(OC)c(C)c1 225740300 PWNJGBTVWOTKFP-SFHVURJKSA-N 307.434 4.236 0 40 DIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccccc1C 225756414 TUCGCQMWOSRSOG-QGZVFWFLSA-N 314.454 4.441 0 40 DIAB CCCCC[C@@](C)(OC)C(=O)Nc1cnc(OCCC)c(C)c1 225887054 FGAYZHCQEIVTDS-GOSISDBHSA-N 322.449 4.103 0 40 DIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 408708203 HPBQAWVONJHVDE-HNNXBMFYSA-N 318.461 4.081 0 40 DIAB CCN1C(=O)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 409125905 AFXNWCNXCLNXKZ-GDNBJRDFSA-N 318.442 4.276 0 40 DIAB Cc1cc(C(=O)Nc2cc(Cl)cc3cccnc23)oc1C 532874253 WWBOGWCQUUSHIG-UHFFFAOYSA-N 300.745 4.350 0 40 DIAB CC(C)CN1CCC[C@@H](c2cccc(Nc3nccs3)n2)C1 2037834695 DJFQDQGMWQIOKV-CQSZACIVSA-N 316.474 4.117 0 40 DIAB O=C(/C=C/c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 444656 MVSGTPGHCUZNOU-DHZHZOJOSA-N 314.388 4.324 0 40 DIAB CC(=O)O[C@H]1C[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O1 481570 SBKMXGVIXAFDHO-IAGOWNOFSA-N 317.772 4.112 0 40 DIAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccco1 778619 KDVFQNOKIVNOAB-UHFFFAOYSA-N 322.295 4.479 0 40 DIAB Cc1nn(C)c(C)c1NC(=O)c1sc2ccccc2c1Cl 1003056 ZOXZSDIAUHCPOL-UHFFFAOYSA-N 319.817 4.157 0 40 DIAB CCOC(=O)c1cc(/C=C/c2ccc(Cl)cc2Cl)on1 1588863 ILGAKLJJVVLTHJ-GQCTYLIASA-N 312.152 4.329 0 40 DIAB CN(C)CCC[C@](C)(O)[C@H](Cc1ccccc1)c1ccccc1 2187352 VOSQYSATOBJONB-RTWAWAEBSA-N 311.469 4.106 0 40 DIAB Cc1ccc(C)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 3236124 GKABPNQQACSXRA-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB O=c1ccc2ccc(OCc3ccccc3C(F)(F)F)cc2o1 3493866 ZKFLESLZYKIUOB-UHFFFAOYSA-N 320.266 4.391 0 40 DIAB CCCc1nc2ccc(Br)cc2c(C(=O)O)c1CC 5313604 QAUVFOHGBPUFGH-UHFFFAOYSA-N 322.202 4.210 0 40 DIAB CCCC[C@@H](CC)CNC(=O)c1cccc(NC(=O)C(C)C)c1 6310774 YDYOMRJWFLCVTM-OAHLLOKOSA-N 318.461 4.227 0 40 DIAB CC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl 6790680 XZRSSOWGSPXXLS-UHFFFAOYSA-N 322.191 4.377 0 40 DIAB CCOc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1 7522348 YQZSECYJSSGLDB-CYBMUJFWSA-N 300.427 4.133 0 40 DIAB Cc1ccccc1N(CC(=O)c1ccccc1)C1=NCCCS1 8415766 YYQCZGJQYJPECM-UHFFFAOYSA-N 324.449 4.177 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)O 8732921 XNWBZHHVQWDJTI-AWEZNQCLSA-N 323.458 4.407 0 40 DIAB O=C(NCCSc1ccc(Cl)cc1)NC1CCCCC1 9876029 JZPNSGCZPQSXDB-UHFFFAOYSA-N 312.866 4.064 0 40 DIAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccco1 11858461 JNTKOHMSEXCCEC-SNAWJCMRSA-N 321.332 4.073 0 40 DIAB CCCc1nc2ccccc2n1CC(=O)Nc1cc(C)cc(C)c1 12624702 SUFANRLDTFKDHJ-UHFFFAOYSA-N 321.424 4.244 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12672761 HMSGZGIKWSXIPJ-YWZLYKJASA-N 322.452 4.317 0 40 DIAB O=C(c1ccc(Sc2ccc(Cl)cc2)nc1)N1CCCC1 12892412 KFIDINHHAIYIGZ-UHFFFAOYSA-N 318.829 4.122 0 40 DIAB Cc1ccc(NCc2nnc(S)n2-c2cc(C)ccc2C)cc1 13534452 BGEJUONUDKJBMP-UHFFFAOYSA-N 324.453 4.093 0 40 DIAB COc1cccc(Nc2ncnc3sc4c(c23)CCCC4)c1 17252250 GYFVTEAYJLVNMX-UHFFFAOYSA-N 311.410 4.322 0 40 DIAB Cc1ccccc1NC(=O)c1cccnc1NCc1ccccc1 22072488 URKYYEJYYJTNGZ-UHFFFAOYSA-N 317.392 4.254 0 40 DIAB O=C(Nc1nc2ccccc2s1)N(Cc1ccccc1)C1CC1 25235173 KKEPYWVFIBAOEI-UHFFFAOYSA-N 323.421 4.493 0 40 DIAB Cc1ccc(SC[C@@H](O)COc2ccc(Cl)cc2)cc1 28403394 LHEVISICGQGQTD-AWEZNQCLSA-N 308.830 4.180 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 32931085 SPWBZIPYAJDDCN-CYBMUJFWSA-N 319.351 4.396 0 40 DIAB CCOc1ccc(C(=O)CSc2ccc(F)c(F)c2)cc1 35013983 HUDOPDZHYBUCPP-UHFFFAOYSA-N 308.349 4.339 0 40 DIAB CC[C@@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 40095215 JOMWWJGBHUYMFO-LLVKDONJSA-N 311.223 4.103 0 40 DIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 40945970 YJFMUJKJTWIOTO-CQSZACIVSA-N 313.397 4.225 0 40 DIAB O=C(c1ccsc1)N(Cc1ccsc1)Cc1ccccn1 44445932 JOXJXYXLMDBZCD-UHFFFAOYSA-N 314.435 4.047 0 40 DIAB C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1cccnc1 48067687 UGYRGIGVCXTIOS-GJZGRUSLSA-N 323.440 4.082 0 40 DIAB Oc1c(Br)ccc2c(Br)cccc12 71477587 KETYKDGSSCRTQQ-UHFFFAOYSA-N 301.965 4.070 0 40 DIAB Cc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)o1 72243331 QQMULYQUUOYCRQ-UHFFFAOYSA-N 309.340 4.324 0 40 DIAB CC(C)Sc1nnc(COc2ccc(Cl)cc2Cl)o1 72750152 UZJZGSHQPMCPPX-UHFFFAOYSA-N 319.213 4.456 0 40 DIAB C[C@@H](NCc1ccccc1Sc1ccccc1)c1cnccn1 95967817 CERGTOGEVREICM-OAHLLOKOSA-N 321.449 4.479 0 40 DIAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@H]1C2 106857706 HGRAYTWTPLWEEQ-QBTDHISASA-N 307.437 4.323 0 40 DIAB CC(C)C[Sn](Cl)(Cl)CC(C)C 195807499 GXWLHTAAGCHDAV-UHFFFAOYSA-L 303.849 4.218 0 40 DIAB Nc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216919717 IGDJMIVJQDMAIC-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB CCC[C@H](C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C 223218681 NQWWGMOMMWAHNB-OAHLLOKOSA-N 317.429 4.039 0 40 DIAB CCC[C@H](C)NC(=S)Nc1ccc2nc(CC)sc2c1 225207932 SNNMNFUAJLBHBS-JTQLQIEISA-N 307.488 4.334 0 40 DIAB Cc1cc(Cl)ccc1Nc1ccc(N)cc1C(=O)NC(C)C 225473329 CFOXXRIBEIEAMM-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCC1 225654289 NOVAPYCPFBZGBF-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB Fc1ccccc1NC(=S)NC1(c2ccco2)CCCC1 225851098 FGKQYCSAQQJUAV-UHFFFAOYSA-N 304.390 4.175 0 40 DIAB COc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1OC 226247669 BKSQEOIUQAWYCK-UHFFFAOYSA-N 320.348 4.303 0 40 DIAB O=C(NCc1cc(-c2ccsc2)cs1)NC1CCCC1 1775969913 RMUXXCBKUYVJSP-UHFFFAOYSA-N 306.456 4.218 0 40 DIAB O=C(Nc1cccc(Cl)c1)OCc1cnc(Cl)s1 1392590 WMPDDSUWBPXWDD-UHFFFAOYSA-N 303.170 4.199 0 40 DIAB CCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 2394996 YJPHUJGOALBHKC-UHFFFAOYSA-N 306.409 4.345 0 40 DIAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(F)cc1Cl 2515081 OGBGPQYZPGKGPJ-UHFFFAOYSA-N 317.791 4.306 0 40 DIAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccccc1)C2 3172208 YIIPITJRZYIZAL-MRXNPFEDSA-N 302.377 4.093 0 40 DIAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCO1 4082447 KIQVNALXPHVLAB-XVMXLUHGSA-N 300.442 4.287 0 40 DIAB biogenic CC(C)OC(=O)[C@@H]1C(=O)C[C@@H](c2ccccc2)[C@H]1c1ccccc1 4887771 ZSDHSBCDXLZBGK-DFQSSKMNSA-N 322.404 4.095 0 40 DIAB c1coc(-c2nnc(CSc3ccc4ccccc4n3)o2)c1 5626763 GFUYSJLVXCQSQH-UHFFFAOYSA-N 309.350 4.170 0 40 DIAB CC(=O)c1cccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 5677917 MSNFEOYTPMFHLO-NSHDSACASA-N 313.422 4.328 0 40 DIAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(F)cc1 5862312 PVCGVWGFQCKZAK-NWDGAFQWSA-N 321.779 4.124 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 8325960 WMDAFSNOHFWOQO-CQSZACIVSA-N 317.404 4.301 0 40 DIAB O=C(/C=C/c1ccco1)Nc1nc2cc(Cl)ccc2s1 8560662 BGVIQLUMQFNHFN-GQCTYLIASA-N 304.758 4.195 0 40 DIAB Cc1nc(N[C@@H](C)c2ccncc2)c2c3c(sc2n1)CCC3 8707360 DPDBQNGMPPLGKN-JTQLQIEISA-N 310.426 4.057 0 40 DIAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(F)c(F)c1 8924926 QIXSRLZSVXXEAA-QMMMGPOBSA-N 313.706 4.248 0 40 DIAB Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11071653 OWFRYECUGOKROX-UHFFFAOYSA-N 316.404 4.406 0 40 DIAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c2cccnc12 12923324 NMMPCNYTGBUUSB-KRWDZBQOSA-N 320.417 4.199 0 40 DIAB CCOc1ccc([C@@H](C)NC(=O)CSc2ccccc2)cc1 20450230 WZGJXOYLDAMSOE-CQSZACIVSA-N 315.438 4.055 0 40 DIAB COc1cccc2cc([C@H](C)NC(=O)C3CCCCC3)oc12 25139366 MLUJJXYGMQTCPU-LBPRGKRZSA-N 301.386 4.199 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc3ccccc3s2)C1(C)C 25155204 NCZIUHKCUFIPEF-WBMJQRKESA-N 314.454 4.151 0 40 DIAB CC(=O)c1ccccc1NCc1cc(=O)oc2c(C)c(C)ccc12 28071674 YRWHWTAIPOOXDQ-UHFFFAOYSA-N 321.376 4.225 0 40 DIAB COc1ccc2c(C(F)(F)F)cc(Br)nc2c1 38286627 SQRWMFCNUVXERP-UHFFFAOYSA-N 306.081 4.025 0 40 DIAB Clc1ccccc1OCCSc1nnc(-c2ccco2)o1 40033981 OGSKKPBGUIZKGJ-UHFFFAOYSA-N 322.773 4.154 0 40 DIAB COc1ccc2nc(Nc3nc4cccc(C)c4o3)sc2c1 57352991 WLGVBISDAIXLGL-UHFFFAOYSA-N 311.366 4.498 0 40 DIAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(OC)cc1 65584768 HZTHPKPUCVKJNT-KRWDZBQOSA-N 313.401 4.095 0 40 DIAB CCN(CC)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72212826 BESZXTKJHZCWMJ-LJQANCHMSA-N 309.457 4.265 0 40 DIAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3Cl)cn2)C1 72365135 IXIYDASSIGTJRZ-OAHLLOKOSA-N 314.816 4.128 0 40 DIAB CC[C@@H](c1ccccc1)[S@](=O)Cc1cnn(-c2ccccc2)c1 84734712 QPIGEAFKQINFEQ-CVDCTZTESA-N 324.449 4.272 0 40 DIAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCc1ccc(F)cc1Cl 89522646 YBTZJOMFOAWEOI-VIFPVBQESA-N 324.783 4.056 0 40 DIAB CCCc1noc(-c2cccc(CN[C@H](C)c3ccco3)c2)n1 95421659 UAGPZEYNMCUVAX-CYBMUJFWSA-N 311.385 4.133 0 40 DIAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc[nH]c1C 95440392 AHQLYVFVBWUCPY-LBPRGKRZSA-N 305.447 4.045 0 40 DIAB Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1F 96659314 ZOIKCZJUYXDOQI-UHFFFAOYSA-N 307.390 4.058 0 40 DIAB NC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(F)cc2)C1 222548328 KEXDTMJKRURDGT-CQSZACIVSA-N 324.186 4.356 0 40 DIAB CCc1ccc(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)cc1 225043614 KHCLLNMLALWHOW-LJQANCHMSA-N 312.409 4.249 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CCC)OC)cc1C 225613387 SJOQKXJZAVUBJP-GOSISDBHSA-N 307.434 4.236 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)cc1 257173533 PXSGZKOUZHZHNR-OAHLLOKOSA-N 305.381 4.058 0 40 DIAB Cc1cccc(-c2cnc3n2CCN(Cc2ccc(F)cc2)C3)c1 306129817 INYJFOUNYCEBGE-UHFFFAOYSA-N 321.399 4.013 0 40 DIAB CN(C)CCOc1c(Cc2ccccc2)ccc2ccccc12 1586336 ZWULITCBDVCPEH-UHFFFAOYSA-N 305.421 4.371 0 40 DIAB Cc1ccc(NC(=O)Oc2ccccc2)cc1N1CCCCC1=O 5441858 VDDXLDYHGNRKOP-UHFFFAOYSA-N 324.380 4.123 0 40 DIAB CC(C)C[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc2ccccc2[nH]1 9315934 FPSOVQGFMLNYIX-WMLDXEAASA-N 311.429 4.123 0 40 DIAB Cc1ccoc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322279 NLTBWHUGOVTZDX-UHFFFAOYSA-N 317.348 4.155 0 40 DIAB Cc1ccc(C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 13758861 NQBUFAQLVJECTQ-UHFFFAOYSA-N 303.429 4.054 0 40 DIAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccccc2)cc1 13937624 NJKVXPJGOKIANL-UHFFFAOYSA-N 312.316 4.394 0 40 DIAB CC1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 14396620 WTZUPWMNXKKAMF-OAHLLOKOSA-N 303.446 4.010 0 40 DIAB COc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3C)cc2c1 25767504 RPWMXWJXUIDGKG-UHFFFAOYSA-N 320.392 4.421 0 40 DIAB O=C(Nc1ccon1)c1cc(-c2cccs2)nc2ccccc12 27976657 KKGCUHZEJFTMEA-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 29408325 YAILLKDCAFSVHR-UHFFFAOYSA-N 320.323 4.309 0 40 DIAB O=C1NC(c2ccccc2)=CC1(c1ccccc1)c1ccccc1 38337760 QEZMBSCTRIGNOK-UHFFFAOYSA-N 311.384 4.144 0 40 DIAB C[C@@H](CC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 40133817 KAGKNPFNMORGLN-HNNXBMFYSA-N 305.381 4.005 0 40 DIAB COc1ccc2oc(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 41156400 GEIFISDLAXEGTL-LBPRGKRZSA-N 309.365 4.241 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccc(N(CC)CC)cc1 43214362 FERWMTNKQCKFFP-UHFFFAOYSA-N 319.445 4.229 0 40 DIAB O=C(/C=C/c1ccccn1)N(Cc1ccccc1)c1ccccc1 60868847 ILIHWVKNYOYZNJ-CCEZHUSRSA-N 314.388 4.328 0 40 DIAB CCCc1cc(C(=O)N2CCCc3cc(C(C)C)ccc32)[nH]n1 72011823 DRRVCSIIJVUIMC-UHFFFAOYSA-N 311.429 4.079 0 40 DIAB CC(=O)c1ccc(C)cc1OC(=O)c1ccccc1OC(C)C 72323941 OEIBFNGXBJQCRR-UHFFFAOYSA-N 312.365 4.204 0 40 DIAB biogenic O=C(CCCC1CCCCC1)N1CC[C@H](Nc2ccccc2)C1 84553351 XQNSCGNKBHQYLO-IBGZPJMESA-N 314.473 4.450 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1cncc2ccccc12 95364745 YQPUTDFTGRXOIX-UHFFFAOYSA-N 320.373 4.202 0 40 DIAB CC(C)C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccccn1 95420346 LOWWDJSHMAVPOG-HXUWFJFHSA-N 320.440 4.144 0 40 DIAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1c1cccc2ccccc12 107498813 QJMMGZLPQTWIDY-XFWGSAIBSA-N 321.420 4.071 0 40 DIAB COc1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 216915682 ZQUWSBTUOJDOLW-UHFFFAOYSA-N 321.149 4.140 0 40 DIAB O[C@]12CCCC[C@H]1N(Cc1ccccc1)[C@@H](c1ccccc1)C2 219773838 RIWFQVVQINEPLK-NJYVYQBISA-N 307.437 4.307 0 40 DIAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 223931386 UOMNUEATNCBBMP-KRWDZBQOSA-N 309.409 4.336 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225020115 QMENRYJAAMFFHE-SFHVURJKSA-N 312.409 4.367 0 40 DIAB CN(C(=O)c1cscn1)c1ccc(C(F)(F)F)cc1Cl 225531768 YSIQBUWCFAUVOF-UHFFFAOYSA-N 320.723 4.092 0 40 DIAB Cc1cc(C)c(C(=O)NCCCOC2CCCCC2)cc1C 225649655 SUKSJJLFWDWSQR-UHFFFAOYSA-N 303.446 4.081 0 40 DIAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)c1ccccc1 523184833 ZQJNQEOLIRLHOZ-UHFFFAOYSA-N 308.406 4.395 0 40 DIAB O=C(Nc1ccnc(Oc2ccccc2Cl)c1)C1CC=CC1 525336534 ZJOCDKXIQXXFGU-UHFFFAOYSA-N 314.772 4.432 0 40 DIAB Cc1ccc2[nH]c(CNC[C@H]3COc4ccccc43)cc2c1C 585083560 FRHLCICRHWBREI-HNNXBMFYSA-N 306.409 4.051 0 40 DIAB FC(F)(F)C1(c2c[nH]c3ccc(Br)cc23)N=N1 1504244909 LIRFNSOUFVTBRF-UHFFFAOYSA-N 304.069 4.111 0 40 DIAB O=C(/C=C/c1cccs1)N1CCS[C@H]1c1ccccc1F 1565523185 IOXPOAUUPQQSGN-WAVCKPEOSA-N 319.426 4.175 0 40 DIAB Fc1cccc(-c2noc(-c3cccnc3NC3CCCC3)n2)c1 1888987352 FORFQWIIOFTLJC-UHFFFAOYSA-N 324.359 4.292 0 40 DIAB COc1ccc(C=O)cc1CSc1nc2ccccc2s1 37142 FQXPCUSCIXPYMA-UHFFFAOYSA-N 315.419 4.410 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)c1cnccc1Cl 163281 CVNJMJNZTNXERU-UHFFFAOYSA-N 301.560 4.294 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 498182 IWDOMEJRUPOFKL-UHFFFAOYSA-N 315.372 4.478 0 40 DIAB O=C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1005074 IVSLTJBQEFWVGF-UHFFFAOYSA-N 315.416 4.458 0 40 DIAB CSc1nc(Oc2ccc(F)cc2)cc(C(F)(F)F)n1 1386979 QYXWIMCCNWNFMR-UHFFFAOYSA-N 304.268 4.149 0 40 DIAB C[C@H](NC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl 3438325 PBYWZNYOJACPOH-VIFPVBQESA-N 314.237 4.475 0 40 DIAB Clc1ccc(CSc2nnc3ccccn23)c(Cl)c1 3505609 YCKHCNYHZOSWGK-UHFFFAOYSA-N 310.209 4.328 0 40 DIAB COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12 4101547 LGSGETCAZSUWQV-UHFFFAOYSA-N 319.411 4.016 0 40 DIAB CC[C@H](C)c1ccccc1OC[C@H](O)CN(C)C1CCCCC1 4264061 FCQJRYIQFHLBRG-FUHWJXTLSA-N 319.489 4.204 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1cc2c(s1)CCC2 4581369 GWHCFCZTETZQAN-UHFFFAOYSA-N 315.419 4.204 0 40 DIAB Cc1cccc(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c1 4592191 VTARVZIHERIYKN-NRFANRHFSA-N 316.356 4.446 0 40 DIAB Cc1ccccc1C1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)O1 4714058 MKUYSVGOTBOHLH-PDGQHHTCSA-N 305.377 4.463 0 40 DIAB CC1(C)[C@@H](C(=O)CCN2CCc3ccccc3C2)[C@H]2CC[C@@H]1C2 5492733 MLTMAMPTDYDEJA-ILZDJORESA-N 311.469 4.076 0 40 DIAB Cc1cc(C)c(S(=O)(=O)NC2CCCCCCC2)c(C)c1 6314937 ZLQAHNIIOGIEOI-UHFFFAOYSA-N 309.475 4.003 0 40 DIAB CCc1nnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)s1 6634193 PYKZNLMVLJYJHG-ZDUSSCGKSA-N 323.849 4.132 0 40 DIAB COc1cccc(OCc2nc3ccccc3n2CC(C)C)c1 6753108 ZEBRNGMUQHRBHA-UHFFFAOYSA-N 310.397 4.280 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc(OC)cc1 7037386 MOCVVAJMAOOUNY-IBGZPJMESA-N 311.425 4.122 0 40 DIAB Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 9315806 XKSCNGPQNQFNOV-MRXNPFEDSA-N 315.369 4.308 0 40 DIAB Cc1ccc(NC[C@@H](O)COc2cc(C)ccc2C(C)C)cc1 9970631 YLOYNKMFQQOEIU-GOSISDBHSA-N 313.441 4.279 0 40 DIAB c1ccc(CC2CCN(c3ncnc4ccsc34)CC2)cc1 12782100 YERKADKFSHJJNN-UHFFFAOYSA-N 309.438 4.150 0 40 DIAB CC(C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 12822686 HGOFTNBTRHNVRB-UHFFFAOYSA-N 312.394 4.208 0 40 DIAB CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 12856548 FMTYCNZXABCLDP-UHFFFAOYSA-N 310.353 4.084 0 40 DIAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 13673870 WBIZRBUCTWDGBR-UHFFFAOYSA-N 314.816 4.217 0 40 DIAB O=C1Nc2ccccc2/C1=C/c1ccc(Br)s1 14185051 HBHNVADIVTWLTP-YFHOEESVSA-N 306.184 4.003 0 40 DIAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 14427330 NUYFYVROOPQKSL-UHFFFAOYSA-N 309.365 4.239 0 40 DIAB C[C@H]1CCc2c(sc3c2[C@H](c2ccc(F)cc2)CC(=O)N3)C1 15085186 QQTBAIIREMQQAS-HZMBPMFUSA-N 315.413 4.486 0 40 DIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)c1 15835430 ZXTPOJQLANDITC-HNNXBMFYSA-N 320.392 4.258 0 40 DIAB C[C@@]12CC3CC(NC(=O)c4ccc(F)cc4)(C1)C[C@](C)(C3)C2 16605668 VKODWLWRHKNDLQ-DFDFAMMDSA-N 301.405 4.305 0 40 DIAB CSc1ccc(CN2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1 19842566 ZWAUGLACBVVYJK-WMZOPIPTSA-N 318.530 4.105 0 40 DIAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 20481840 SFYNQXHIENMGAD-LBPRGKRZSA-N 319.788 4.063 0 40 DIAB Cc1ccccc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 28406031 CTRMZFCWJYKJNS-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB FC(F)Oc1ccc(NCc2nc(-c3ccsc3)no2)cc1 29397257 CBBOKGYCNMPNNH-UHFFFAOYSA-N 323.324 4.012 0 40 DIAB Clc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)ccn1 30447290 OAXSAOGOLFKMGM-UHFFFAOYSA-N 316.769 4.254 0 40 DIAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)c1ccccc1 32718953 VTLYLWJXEDRTSW-UHFFFAOYSA-N 320.392 4.067 0 40 DIAB O=C(CCc1c[nH]c2ccccc12)N(C1CCCCC1)C1CC1 32800781 YRGQCVRQMZPQFZ-UHFFFAOYSA-N 310.441 4.424 0 40 DIAB Cc1ccc(OCCC(=O)Nc2cccc(-n3cccc3)c2)cc1 32933225 NDYMDOZEHPODBM-UHFFFAOYSA-N 320.392 4.193 0 40 DIAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 40098713 KKTSZZKUYJQMHK-JTQLQIEISA-N 322.767 4.370 0 40 DIAB FC(Cl)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl 56958740 CMVFABYKWZDQMC-SFOWXEAESA-N 303.844 4.459 0 40 DIAB Fc1ccc(-c2cnc(CN3CCC[C@@H]3c3ccc[nH]3)o2)cc1 69144578 DDNJUPBENXIPFT-MRXNPFEDSA-N 311.360 4.146 0 40 DIAB Cc1nnc([C@@H](C)Nc2ccc(Oc3cccc(F)c3)cc2)o1 71902547 CLCZNRREPYESQN-LLVKDONJSA-N 313.332 4.483 0 40 DIAB Cc1cc2nc(-c3cccnc3)oc2c(Br)c1C 73638626 HEIHLILUTGATCS-UHFFFAOYSA-N 303.159 4.269 0 40 DIAB Cc1nc(CS[C@@H](C)C(=O)Nc2cc(F)ccc2C)cs1 78555828 NIRVSTYVWVYNGD-JTQLQIEISA-N 324.446 4.159 0 40 DIAB CCn1c(SCCCC2CCCC2)nnc1-c1ccncc1 78965510 YAJKMOWKFUAYFL-UHFFFAOYSA-N 316.474 4.423 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cccc(Oc2ccccn2)c1 96122648 UZDNUMRIPVTPFA-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB Cc1ccc(CCC(=O)NCc2ccccc2Cl)cc1C 96621684 DTDQHZXUMNZDBA-UHFFFAOYSA-N 301.817 4.206 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2[C@@H](O)CO 118925668 QUQBOXYLXZAONE-WKBNOSBISA-N 320.517 4.389 0 40 DIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 138810372 VENABCBLUWMVMR-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CC[C@H](C(=O)O)N(C)c1ccccc1Sc1ccccc1 225004257 BNDDUCYPTSOJQM-CQSZACIVSA-N 301.411 4.137 0 40 DIAB CCN(CC)Cc1ccc(NC(=O)c2cc(C)ccc2C)cc1 225052490 CDSAPQXIHMWBKD-UHFFFAOYSA-N 310.441 4.398 0 40 DIAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226365494 KRWFELIEKIZXBW-UHFFFAOYSA-N 310.328 4.229 0 40 DIAB CC(C)c1ccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)cc1 585129130 YWHIQYCGROTABK-GOSISDBHSA-N 322.408 4.013 0 40 DIAB CC(C)c1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 204667 CFXJLGCJJDOXLK-UHFFFAOYSA-N 307.349 4.169 0 40 DIAB O=C(Nc1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 444850 WPOQVHATZKQRIV-UHFFFAOYSA-N 314.238 4.368 0 40 DIAB Cc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1 533151 MDLTZPOLXVTNKS-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB Cc1ccc([C@H]2C[C@@H](c3ccccc3C)n3ncnc3N2)cc1C 2919768 IWESXAMWELZRNZ-MOPGFXCFSA-N 318.424 4.350 0 40 DIAB O=C(CSc1ccc2ccccc2c1)NCc1cccs1 3382446 PSNOACQMJBVQHB-UHFFFAOYSA-N 313.447 4.310 0 40 DIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/C=C/c1ccccc1 3910741 CQLPNSSOUAVJOB-LTCJSSOGSA-N 301.345 4.252 0 40 DIAB aggregator C[C@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 5443950 MHPUGWXPLNBBSK-UHSVVUDUSA-N 301.405 4.160 0 40 DIAB COC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6213805 XTUACXSSPSYPDF-UHFFFAOYSA-N 311.381 4.023 0 40 DIAB CCN1CCC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 6438639 NZOLRXNSWUPNDS-OCZHUQCSSA-N 319.533 4.464 0 40 DIAB CC(=O)c1cn([C@@H](C)C(=O)Nc2ccccc2F)c2ccccc12 6956504 RNYJYSYHEAOVHM-LBPRGKRZSA-N 324.355 4.183 0 40 DIAB CCOc1ccc2ccccc2c1C(=O)NCc1ccccc1 8382770 RTMKRGVFWWPMFM-UHFFFAOYSA-N 305.377 4.169 0 40 DIAB COc1ccccc1Oc1ccc(NC(=O)c2ccoc2)cc1 9366661 YVRRGKSIDGGRPX-UHFFFAOYSA-N 309.321 4.333 0 40 DIAB COc1ccccc1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 12892298 GCTHCNSMMXMEOC-ZDUSSCGKSA-N 309.365 4.275 0 40 DIAB CCOc1ccccc1NC(=S)Nc1cc(C)ccc1F 13840299 IEKPYBKFBNCCND-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB COc1c(C)cccc1C(=O)Nc1ccccc1C(F)(F)F 14258287 MCWKFDINRVFFDX-UHFFFAOYSA-N 309.287 4.275 0 40 DIAB Cc1cccc2cc3c(nc12)N(C(=O)CCc1ccccc1)CC3 15842026 ZUOCOKIXYZLOOW-UHFFFAOYSA-N 316.404 4.065 0 40 DIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(C)c1 22141210 LMFIQUHIXOGCFD-KRWDZBQOSA-N 311.425 4.176 0 40 DIAB CCCn1nccc1C(=O)Nc1ccc(-c2ccccc2)cc1 28240189 YLOJQGZVWPMEGR-UHFFFAOYSA-N 305.381 4.212 0 40 DIAB C/C1=C\CC[C@@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2/C=C(\C)CC1 32109693 BYFVAWVWHDPHGP-AUCQLPRPSA-N 317.473 4.097 0 40 DIAB COc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1Cl 35671904 WHTJQBWLINTNDH-UHFFFAOYSA-N 304.708 4.205 0 40 DIAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 44883919 MIOPWXFHDHZSQC-YFTXEMMHSA-N 315.800 4.239 0 40 DIAB O=[S@@](Cc1cccc(F)c1)Cc1cccc(C(F)(F)F)c1 58158368 BSPHHHBQEMIJLK-NRFANRHFSA-N 316.319 4.293 0 40 DIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1cccc2[nH]ccc12 70666498 JQEPGZMMQOGKLE-UHFFFAOYSA-N 323.783 4.415 0 40 DIAB biogenic Fc1ccccc1CNCCCSC(F)(F)C(F)(F)F 95918303 PWARZSYEBWLQSQ-UHFFFAOYSA-N 317.298 4.194 0 40 DIAB O=C(O[C@@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC=CCC1 95947925 DYPHUOIRNXXCII-KDOFPFPSSA-N 311.356 4.210 0 40 DIAB Cc1cncc2c(Br)ccc(Br)c12 96029616 FZLBUBKJGZMBBR-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(C)(C)C)cc1 206763095 DYTWYSNWESKPCI-SJPCQFCGSA-N 317.498 4.483 0 40 DIAB CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCCC2)cc1 224094218 XIXAPYMHYNDPAS-KRWDZBQOSA-N 316.489 4.229 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C)c1 225619969 HECSNZPASJTMCF-GOSISDBHSA-N 307.434 4.316 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)C1 226305011 HWRFTVJFNWWHKI-NSHDSACASA-N 318.804 4.054 0 40 DIAB CCOc1ccc(NC(=O)NCC2(c3ccsc3)CC2)cc1 1888930624 MWSPCEVPRYYTRU-UHFFFAOYSA-N 316.426 4.000 0 40 DIAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccccc1 301814 ZWCLIAUJIDVIDD-LJQANCHMSA-N 300.361 4.458 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 505788 CWOBUKMKUWIUGV-CQSZACIVSA-N 313.397 4.226 0 40 DIAB O[C@@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(Cl)cc1 1651976 UIPDCTGNHUMGGW-PMACEKPBSA-N 324.807 4.310 0 40 DIAB O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CC=CC1 2515909 VJWTUTCHLPDQKQ-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB Cc1cc2ccccn2c1C(=O)c1ccc(Br)cc1 3193686 CWKAFMIOYPILSN-UHFFFAOYSA-N 314.182 4.241 0 40 DIAB c1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1 3452608 FPKVGXYXDCOCHV-UHFFFAOYSA-N 324.434 4.169 0 40 DIAB Cc1cc2oc(=O)cc(CN3CCC[C@H](C)C3)c2cc1C(C)C 3564914 KTQGQNMNTFOSRE-AWEZNQCLSA-N 313.441 4.457 0 40 DIAB Cc1ccccc1NCN1C(=O)S/C(=C/c2ccccc2)C1=O 4645840 VSCQGYTWKAKFFZ-LFIBNONCSA-N 324.405 4.101 0 40 DIAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccs2)cs1 5268291 AMZYYZQEUHUGNN-UHFFFAOYSA-N 318.398 4.192 0 40 DIAB Cc1cc(Cl)cc(C)c1OCC(=O)NC1CCCCCC1 5938449 WSLARLSZCKQMIP-UHFFFAOYSA-N 309.837 4.175 0 40 DIAB Cc1ccc(NC(=S)Nc2cccc3cnncc23)cc1C 6814452 AAMTYDCXTKGNDA-UHFFFAOYSA-N 308.410 4.056 0 40 DIAB Cc1csc(NC(=O)c2sc(-c3ccsc3)nc2C)n1 9497017 KFEAJLWDGAANCB-UHFFFAOYSA-N 321.452 4.197 0 40 DIAB O=C(NCCC1=CCCCC1)Nc1nc2ccccc2s1 9961289 RQHRRYLBZFTVIZ-UHFFFAOYSA-N 301.415 4.308 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(CC)c2)cc1 12727929 RXOMRXGFKTWTBX-CQSZACIVSA-N 313.397 4.054 0 40 DIAB CCc1c(C(=O)c2[nH]c(C)c(C(C)=O)c2C)oc2ccccc12 12847341 MXKSKVPQZPKWPN-UHFFFAOYSA-N 309.365 4.374 0 40 DIAB CCc1cccc(CC)c1NC(=S)NCCc1ccccc1 13789075 YGPMIHVOKRZTRU-UHFFFAOYSA-N 312.482 4.341 0 40 DIAB CC(C)(C)c1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 15301571 PQICICRODIANBT-YIONKMFJSA-N 313.441 4.318 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1F 15390557 SSVVFIFRBRBZJS-CYBMUJFWSA-N 313.372 4.029 0 40 DIAB O=C(CSc1ccccc1)Nc1ccc(N2CCCC2)cc1 15652706 FEZKXIOBEFBUPO-UHFFFAOYSA-N 312.438 4.018 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 15671107 XMKDVCKINPKQQB-UHFFFAOYSA-N 321.380 4.388 0 40 DIAB Cc1cc(C(=O)N2CCCc3ccccc32)c2ccccc2n1 16023100 NTPIXXZATVQJFB-UHFFFAOYSA-N 302.377 4.136 0 40 DIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20038744 CNMWCQVIOZMTPR-QFBILLFUSA-N 311.425 4.338 0 40 DIAB CCN(C(=O)CSc1nc2ccccc2s1)C1CCCC1 40070963 UXQUVTCMYDKQFY-UHFFFAOYSA-N 320.483 4.180 0 40 DIAB COc1ccc(SCc2nnc(Nc3ccccc3)o2)cc1 41104941 YBJJSXXKNCUKPA-UHFFFAOYSA-N 313.382 4.114 0 40 DIAB CC(C)(C)c1cnc(CSc2nnc(C3CC3)n2C2CC2)o1 41351519 SPYKUQWWDBKTJK-UHFFFAOYSA-N 318.446 4.068 0 40 DIAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(F)cc1F 48463565 JYQLWDMSIMGSEE-LBPRGKRZSA-N 319.351 4.243 0 40 DIAB Cc1ccc2oc(Nc3nc4c(N)cc(C)cc4s3)nc2c1 57352553 QBGBRDRYBNJZJL-UHFFFAOYSA-N 310.382 4.380 0 40 DIAB CCn1ncc2ccc(NC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)cc21 58418739 VDYHTKDZACTYFE-WBVHZDCISA-N 311.429 4.233 0 40 DIAB Cc1sc(Nc2ncccn2)nc1-c1ccc(Cl)cc1 67322047 CLDAUBMXPODOKG-UHFFFAOYSA-N 302.790 4.306 0 40 DIAB N#CN(Cc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 75108857 IAPYSAXQJLUJEB-UHFFFAOYSA-N 309.756 4.483 0 40 DIAB Cc1nc(C)c(C[S@](=O)c2ccc3ccccc3c2)s1 83078063 LPZSPTLXJZCPHR-HXUWFJFHSA-N 301.436 4.221 0 40 DIAB Cc1nc2c(C)cccn2c1-c1csc(-c2cccc(N)c2)n1 85397366 LBOSEICTNHHPGK-UHFFFAOYSA-N 320.421 4.324 0 40 DIAB CC(=O)Nc1cc(NCc2cnc(CC(C)C)s2)ccc1F 89785134 MUFGGCKAVUEHHP-UHFFFAOYSA-N 321.421 4.051 0 40 DIAB O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc2ccccc2c1 89878789 PPIWXEWCKRLWJR-UHFFFAOYSA-N 324.401 4.096 0 40 DIAB Cc1ccc(F)cc1C(=O)c1c(F)c(F)c(F)c(F)c1F 95917027 WYNQMFRPCZLNGE-UHFFFAOYSA-N 304.189 4.061 0 40 DIAB COC(=O)c1c(-c2ccccc2)noc1/C=C/Nc1ccccc1 100329402 UFZQAGSBXXYFQV-OUKQBFOZSA-N 320.348 4.211 0 40 DIAB Cc1cc(NC(=O)CSC(C)(C)C)n([C@H]2C[C@H]3CC[C@H]2C3)n1 108375063 MZXSEOZRKVHKKX-IHRRRGAJSA-N 321.490 4.023 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)cc1C 219491130 UTTAACJOPCOGJQ-QFBILLFUSA-N 311.425 4.338 0 40 DIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccccc2)cc1 222870721 KOYDAPFPSWQQLU-BEFAXECRSA-N 311.425 4.284 0 40 DIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@H](C)C2)c1 224378627 KBBKUPCOVGEDRI-JKSUJKDBSA-N 303.446 4.144 0 40 DIAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccccc1 225084697 LYRVMLRUIPBOSE-AWEZNQCLSA-N 311.164 4.068 0 40 DIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)C(C)C 225230327 ZPFZWGMWDHROSA-YOEHRIQHSA-N 305.462 4.302 0 40 DIAB Brc1c(-c2cc3ccccc3s2)nn2c1CCC2 253589661 QPDGKJDCUWDDCS-UHFFFAOYSA-N 319.227 4.474 0 40 DIAB Cc1nc([C@@H]2CCCCN2Cc2ccsc2)c2sccn12 257237381 HGFRXKNRDKKOLS-AWEZNQCLSA-N 317.483 4.493 0 40 DIAB COc1ccc(Cl)cc1-c1nc(O)c2c(C)c(C)sc2n1 408735874 YSPMYSCWTRDWEW-UHFFFAOYSA-N 320.801 4.343 0 40 DIAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 41705 HCZQRUCCSODJJG-UHFFFAOYSA-N 324.163 4.032 0 40 DIAB Cc1ccccc1OCC(=O)Oc1cc(C)c(Cl)c(C)c1 130115 RFFRVQCGPLQVIP-UHFFFAOYSA-N 304.773 4.250 0 40 DIAB O=C(CNC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 411627 IWASZWZXCNPPHQ-UHFFFAOYSA-N 324.424 4.340 0 40 DIAB Cc1nn2cc(-c3cccc(Cl)c3)cnc2c1Br 1399477 CFDQVGFNCRRBHF-UHFFFAOYSA-N 322.593 4.121 0 40 DIAB CCn1c2c(c3ccccc31)CCS[C@@]2(C)CCN(C)C 2020075 BRPOADLGOFPKKJ-SFHVURJKSA-N 302.487 4.117 0 40 DIAB in-man Cc1ccc(C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)cc1 4057823 WLCCBPXXWAARAK-HNNXBMFYSA-N 306.365 4.391 0 40 DIAB Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1Cl 4770326 TYUJYJIWFIKQBG-UHFFFAOYSA-N 322.151 4.017 0 40 DIAB CC(C)[C@H](CCN1CCN(c2ccccc2)CC1)c1ccco1 6719142 FOFSQGNEOJLYPD-IBGZPJMESA-N 312.457 4.232 0 40 DIAB COc1cc(/C=C/c2nc3ccccc3s2)cc2c1OCO2 8982706 LMNCPSXGFWEUSO-VOTSOKGWSA-N 311.362 4.204 0 40 DIAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1 9816871 JEKRTSCMXIJJRU-SFHVURJKSA-N 313.397 4.190 0 40 DIAB Cc1ccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9900791 HPRIXZWOJFUJMO-ZHACJKMWSA-N 316.404 4.074 0 40 DIAB CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)c1C 10892793 DUKCDBRPGUHSHJ-GXFFZTMASA-N 317.458 4.233 0 40 DIAB Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)ccc1F 11008709 QCKXJRDXNGTHJI-UHFFFAOYSA-N 311.278 4.083 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 11916867 WLVQZCQETALQKD-UHFFFAOYSA-N 310.328 4.350 0 40 DIAB COc1ccccc1NC(=O)c1ccc(-c2ccccc2)nc1C 12979182 GSGXECBMXSAQJH-UHFFFAOYSA-N 318.376 4.318 0 40 DIAB COc1c(-c2ccccc2)nc2ccc(Oc3ccccc3)nn12 13216053 IUZQKEQPFSPXKK-UHFFFAOYSA-N 317.348 4.197 0 40 DIAB CCc1ccc(CN(Cc2sccc2C)C[C@@H](C)O)cc1 13991367 YTLUXBFFPHILTM-OAHLLOKOSA-N 303.471 4.002 0 40 DIAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1 14654400 MXFLBKLURBFUQC-UHFFFAOYSA-N 320.186 4.100 0 40 DIAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20041642 WCLOPRUWKXHEDF-HNNXBMFYSA-N 313.397 4.026 0 40 DIAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cc2ccccc2o1 20139656 RUVOMZTWIPXORY-UHFFFAOYSA-N 315.712 4.037 0 40 DIAB Cc1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1 20674303 YFWWBQRZPIUBBR-UHFFFAOYSA-N 302.377 4.367 0 40 DIAB CC1(C)CC(NCc2ccc(Cl)c(Cl)c2)CC(C)(C)N1 21805051 WSZXWDIEOWYJAR-UHFFFAOYSA-N 315.288 4.392 0 40 DIAB CN(C(=O)/C=C/c1ccccc1Cl)[C@H]1CCc2ccccc21 27818412 YOWBKXHTZJHAAS-YLZCUGDYSA-N 311.812 4.499 0 40 DIAB O=C(Nc1nc2c(s1)CCC2)c1cc2ccc(Cl)cc2[nH]1 29023927 RSLYWSIFAYYDMV-UHFFFAOYSA-N 317.801 4.019 0 40 DIAB Cc1ccc(Sc2ccc(C(=O)N3CCCC3)cn2)c(C)c1 32828960 JXVPKAUEYPXFHI-UHFFFAOYSA-N 312.438 4.086 0 40 DIAB C[C@@H](Cc1ccsc1)NC(=O)N(C)[C@@H](C)c1cccs1 48858721 IHAIJKMJQWEICU-RYUDHWBXSA-N 308.472 4.143 0 40 DIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2[nH]cnc2c1 62001586 UWDAAHBLUFFSKO-UHFFFAOYSA-N 318.380 4.006 0 40 DIAB biogenic O=C(Cc1ccccc1)c1c(F)cc(Br)cc1F 94716645 VEMUXWONPMEFNJ-UHFFFAOYSA-N 311.125 4.153 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 100620936 XIXOIPGLZLFHTF-JFOHDYCDSA-N 324.424 4.205 0 40 DIAB Cc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)c(Cl)c1 216955463 XTAYGHHQGKPHGV-UHFFFAOYSA-N 311.768 4.413 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1nc2ccccc2s1 217590740 QRWVXFMPSLPFDR-UHFFFAOYSA-N 311.391 4.158 0 40 DIAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COC 224683656 UDLGBSSFPBQQFA-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)cc1C 225059643 PELJLYCQIGFXNT-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC1(C)C(=O)CC[C@@H]2C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 254048497 YSDQCJCKZSSBFR-UPGVSJFOSA-N 302.458 4.125 0 40 DIAB Clc1ccc([C@@H]2[C@@H](NC[C@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 257284780 PEGLNXLVCZXCRE-UVMNYOIOSA-N 319.876 4.238 0 40 DIAB c1ccc(-c2ccc(CN3CCC[C@@H]3CN3CCCC3)o2)cc1 512293073 KIMXPWBWDWZEOL-GOSISDBHSA-N 310.441 4.007 0 40 DIAB Cc1ccccc1C(=O)NC[C@@H](c1ccsc1)c1ccco1 618255902 BROBRRXXHPBTRQ-INIZCTEOSA-N 311.406 4.211 0 40 DIAB Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1C 260407 AWPYUYLDSXIQCS-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 294107 GDNUWTYHTSLZTQ-UHFFFAOYSA-N 313.740 4.007 0 40 DIAB CC1(C)CC(=O)c2c(n(-c3cccc4ccccc34)ccc2=O)C1 494828 CEXKKNMDMFHNHK-UHFFFAOYSA-N 317.388 4.146 0 40 DIAB CSc1ccc(C(=O)c2cccc(CN3CC=CC3)c2)cc1 2515390 MQKXQQZNLSQUCX-UHFFFAOYSA-N 309.434 4.011 0 40 DIAB CCC(CC)c1nnc(NC(=O)/C=C/c2ccc(C)cc2)s1 2888756 SIXMLZHGAUYRRW-ZHACJKMWSA-N 315.442 4.402 0 40 DIAB CCN(CC)[C@H](c1ccccc1)c1nnc(-c2ccc(C)cc2)o1 3127285 ANIUZNKDWOMHQI-GOSISDBHSA-N 321.424 4.476 0 40 DIAB COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1 3459046 MTTNNOVEJRYSDP-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB Cc1ccccc1Nc1c(-c2ccccc2)nc2cnccn12 4597385 XBFPNOFFRYCCBB-UHFFFAOYSA-N 300.365 4.448 0 40 DIAB O=C(c1cc2cc(Oc3ccccc3)ccc2[nH]1)N1CCCC1 4700165 HYCQXUYBYLOFNM-UHFFFAOYSA-N 306.365 4.196 0 40 DIAB CCC(C)(C)NC(=O)c1cccnc1Sc1ccccc1 6587426 VWGBOKISCLGCQH-UHFFFAOYSA-N 300.427 4.151 0 40 DIAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C)s3)o2)cc1 7180171 JCIIDVJMECXKHS-SECBINFHSA-N 318.427 4.058 0 40 DIAB Cc1cc(C)cc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1 8160811 DQCLHNXSZPKNKN-UHFFFAOYSA-N 322.330 4.373 0 40 DIAB CCNc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8666307 PVHIGKNDYZNZIH-XAZWDOJMSA-N 315.457 4.041 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)[C@H](C)CC)C(=O)O 8732876 DVZFLLLAPXEAKB-RISCZKNCSA-N 309.431 4.017 0 40 DIAB O=C1c2ccccc2N[C@@H](c2cc3ccccc3o2)N1C1CC1 9339248 DNVZGOVGNOYYPN-GOSISDBHSA-N 304.349 4.162 0 40 DIAB CC(C)N(CCNC(=O)Nc1cccc2ccccc12)C(C)C 11004655 JFBPMUTVQGLSGC-UHFFFAOYSA-N 313.445 4.080 0 40 DIAB O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2F)s1 12787568 GLHZYYZTVKUBDJ-GHXNOFRVSA-N 321.423 4.043 0 40 DIAB O=C(c1ccccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 14159377 IIVLQRQONOSILD-UHFFFAOYSA-N 320.367 4.237 0 40 DIAB Cc1cccc2cc3c(nc12)N(C(=O)Nc1ccccc1)CC3 15842043 AEKVKZSJMWVJMO-UHFFFAOYSA-N 303.365 4.138 0 40 DIAB Cc1occc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 19681716 ZRCNITDOYPCBIY-UHFFFAOYSA-N 301.676 4.095 0 40 DIAB CCc1ccccc1NC(=O)CSCc1ccccc1F 24064908 HCSDDLXDUXEOBU-UHFFFAOYSA-N 303.402 4.260 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c1 24843035 ZOYWGWUEUOPZAU-ZDUSSCGKSA-N 323.396 4.192 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1Cc1ccco1 25441311 SWCPLTIWMWIHHP-FZKQIMNGSA-N 314.429 4.055 0 40 DIAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)s1 25538596 QCTPANKMKPFWPN-AWEZNQCLSA-N 317.385 4.067 0 40 DIAB Cc1cccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 26254175 ZWWKKROWWZUWBI-UHFFFAOYSA-N 318.376 4.221 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)s1 26749388 UFMHZZPUICZKCB-WDEREUQCSA-N 313.850 4.059 0 40 DIAB CCOc1ccccc1NC(=O)CNc1ccc(C)c(Cl)c1 32679597 YVHGODKNFBWMRP-UHFFFAOYSA-N 318.804 4.098 0 40 DIAB Cc1ccc(OC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 32798785 HMURMJUEVXUYMW-UHFFFAOYSA-N 322.364 4.245 0 40 DIAB Cc1ccc(C(=O)N(c2ccccc2)c2nc(C)cs2)cn1 32895877 WPFVXXYXUOYRRB-UHFFFAOYSA-N 309.394 4.133 0 40 DIAB C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1cccs1 40090234 NEZAOGSNWWAIBP-NSHDSACASA-N 309.818 4.048 0 40 DIAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 40108610 DFXHPGKYHDGLNP-DNVCBOLYSA-N 309.409 4.100 0 40 DIAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3cc(C)no3)co2)cc1 48262147 ZDJBIKHGQBMBAY-QGZVFWFLSA-N 323.396 4.284 0 40 DIAB Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)c(Cl)c1 71458152 FSFNKTXAXYNCLW-UHFFFAOYSA-N 320.179 4.202 0 40 DIAB O=C(c1ccc2cc[nH]c2c1)N(Cc1ccco1)C1CCCC1 71817338 URKGPNAPEWRJHK-UHFFFAOYSA-N 308.381 4.346 0 40 DIAB CCCOc1cccc(C(=O)N2c3ccccc3CC[C@@H]2C)c1 72291283 OCKOMKPBHADKBI-HNNXBMFYSA-N 309.409 4.457 0 40 DIAB O=C(C/C=C/c1ccccc1F)Nc1cccc(-c2cn[nH]c2)c1 90499147 NJJLFUDTPOCGTI-GQCTYLIASA-N 321.355 4.258 0 40 DIAB CCS[C@H]1CC[C@H](N(C)C(=O)Nc2c(F)cccc2F)C1 95411719 VQUIEMMQQPWDRU-QWRGUYRKSA-N 314.401 4.103 0 40 DIAB FC(F)c1nnc(SCc2c(Cl)cccc2Cl)[nH]1 216927114 MBFCTDXJKFWDBY-UHFFFAOYSA-N 310.156 4.341 0 40 DIAB Cc1cccc(NC(=S)NCCCSC2CCCCC2)n1 225592124 REJQJPKRBVKSQL-UHFFFAOYSA-N 323.531 4.132 0 40 DIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225695242 QFHBPUSXNQZMHA-INIZCTEOSA-N 313.825 4.273 0 40 DIAB CCCc1nc(CCC)c(-c2ccccc2F)cc1C(=O)O 257233908 GRHPAOCYGKXCIO-UHFFFAOYSA-N 301.361 4.491 0 40 DIAB O=C(NCCSCc1ccccc1Cl)c1ccccc1F 408573913 FGWUZHUWPUBLCT-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 488029 NQUQIAYCNLKMTR-OQTPBVATSA-N 316.441 4.265 0 40 DIAB Nc1nc(Cl)cc(SCc2ccc(Cl)cc2Cl)n1 1672598 LQHLTTKDALJKPJ-UHFFFAOYSA-N 320.632 4.311 0 40 DIAB C[C@H]1CCCCN1Cc1ccccc1CC(=O)c1ccccc1 1716181 NTDITIGBWSJJEV-KRWDZBQOSA-N 307.437 4.486 0 40 DIAB CCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23 3166179 DAEWAKHRKCQMAT-UHFFFAOYSA-N 322.408 4.339 0 40 DIAB Cc1ccc(SCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3318295 AMPIBHPQHFNGRM-INIZCTEOSA-N 313.466 4.225 0 40 DIAB Cc1ccc(C[C@H](SCc2ccccc2)C(=O)O)cc1C 3351144 MWSHUOPFKCDYQP-KRWDZBQOSA-N 300.423 4.233 0 40 DIAB CCc1cc2cc(C)ccc2nc1SCC(=O)NC(C)(C)C 4849317 QMDMBAUBIPXEJO-UHFFFAOYSA-N 316.470 4.112 0 40 DIAB C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)OC1=O 6932828 AXSURGHMUQGRLH-YUDZEOCSSA-N 318.457 4.140 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1cc2c(s1)CCC2 8825680 SZPZYPJTTMBWRX-ZDUSSCGKSA-N 315.463 4.204 0 40 DIAB Cc1ccc(CSCC(=O)NCc2ccc(Cl)cc2)cc1 15340332 RMMDSGUKTQQOBU-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB CC1(C)Cc2cccc(OCc3cc(-c4ccco4)on3)c2O1 15551535 FNXWNKTXSJRVCK-UHFFFAOYSA-N 311.337 4.227 0 40 DIAB Cc1nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2s1 18172460 SGIGNGBUCYKGOQ-UHFFFAOYSA-N 301.346 4.388 0 40 DIAB CCCCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 19736399 DXPGGFAMBRNHFM-UHFFFAOYSA-N 312.413 4.399 0 40 DIAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20106898 NBUIDJJDWDUKMZ-MRXNPFEDSA-N 317.360 4.021 0 40 DIAB Cc1ccccc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20137387 YUCQBIYNDAENST-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)C3CC3)n2)cc1 21792094 WPSYWUZFTYHJRW-UHFFFAOYSA-N 319.364 4.061 0 40 DIAB CC[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258233 CHQRHKQOBJTOGW-ZDUSSCGKSA-N 317.816 4.447 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 22532765 HRXZFDZXUFABGT-IAGOWNOFSA-N 311.425 4.257 0 40 DIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 22552113 JIMFQCNMAGDHGX-GUDVDZBRSA-N 309.384 4.293 0 40 DIAB Cc1ccc(CN(C)C(=O)c2cc3c(F)cccc3s2)o1 23496006 ILCVVPLXBAOZFG-UHFFFAOYSA-N 303.358 4.214 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 24068884 FEMUVFUNQUVUAC-KGLIPLIRSA-N 317.429 4.492 0 40 DIAB Cc1cccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)n1 25650163 YFZLCSSOLZXVDQ-UHFFFAOYSA-N 323.421 4.383 0 40 DIAB COCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 25821828 ITGUVKYNLXCFQO-JXMROGBWSA-N 301.773 4.138 0 40 DIAB CC(=O)c1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 26015028 UJYKVAKNHABOSY-UHFFFAOYSA-N 311.312 4.262 0 40 DIAB CC(C)(CNC(=O)C1CCCC1)c1ccc(Br)cc1 32931322 JXFDMXLGHZFWCG-UHFFFAOYSA-N 324.262 4.033 0 40 DIAB O=C(Nc1cccnc1Oc1ccccc1)c1ccc(F)cc1 40087987 FIEBCGLXDKPUSQ-UHFFFAOYSA-N 308.312 4.265 0 40 DIAB CC[C@H](C)c1ccc(OCCn2c(C=O)nc3ccccc32)cc1 41058284 VIZRKVRDYBAMHX-HNNXBMFYSA-N 322.408 4.441 0 40 DIAB CC(C)c1ncc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 57823104 MHHJGIDWKVRBCF-UHFFFAOYSA-N 315.848 4.422 0 40 DIAB Fc1ccccc1CN1CCC(COCc2ccccc2)CC1 70655725 LZXNAGOJCFEIOI-UHFFFAOYSA-N 313.416 4.255 0 40 DIAB Cc1cc(Cl)ncc1OCc1coc(-c2ccc(F)cc2)n1 89600809 AUWMPXPJRLMGOE-UHFFFAOYSA-N 318.735 4.417 0 40 DIAB Cc1ccc(CN(C)C(=O)C/C=C/c2ccccc2F)s1 95964104 WWLKDEOOCRMUHP-FNORWQNLSA-N 303.402 4.258 0 40 DIAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 219274585 DSXUWZQDBDIIKF-GOSISDBHSA-N 323.436 4.265 0 40 DIAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223157471 DRKXMJGRLHRVMZ-QSOAKEGCSA-N 305.421 4.374 0 40 DIAB Cc1cccc(NC(=S)NCCCSCc2ccco2)c1 225592484 FZOIGXHRYKCQRZ-UHFFFAOYSA-N 320.483 4.198 0 40 DIAB CCOc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804633 ARSPMVQBWSWUAE-UHFFFAOYSA-N 313.397 4.136 0 40 DIAB CC[C@@H](C(=O)NCC(c1ccco1)c1ccco1)c1ccccc1 669520503 VLNTVFKYDLSJML-MRXNPFEDSA-N 323.392 4.315 0 40 DIAB Nc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(F)c1 1504250433 LMQFDMOSHAAKOB-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB C[C@@]1(Cc2cccc(F)c2Cl)Cc2cc(C(=O)O)ccc2O1 2037895074 BWSUJLOISRBJQV-QGZVFWFLSA-N 320.747 4.114 0 40 DIAB O=C(NCCc1ccc(-c2ccco2)s1)Nc1ccccc1 2086896634 GQHOVKVJZLZCCV-UHFFFAOYSA-N 312.394 4.372 0 40 DIAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OC)cc1 98384 KZYIHJOQKUEIMB-UHFFFAOYSA-N 322.364 4.164 0 40 DIAB COCc1c(C(=O)Nc2ccc(C)cc2C)oc2ccccc12 2654891 QWXMFSDTCRIHOG-UHFFFAOYSA-N 309.365 4.448 0 40 DIAB CC(C)(C)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 3344111 WLEUYHDBUJBCMM-FNORWQNLSA-N 315.196 4.165 0 40 DIAB CCCOc1ccccc1OCC(=O)Nc1cccc(CC)c1 3347526 JLNLTZFWWXARNL-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB CCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3483126 QGABSJGDIBDVPR-UHFFFAOYSA-N 311.715 4.269 0 40 DIAB CCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21 4060616 FIUWKRCRVKMZHA-UHFFFAOYSA-N 316.470 4.202 0 40 DIAB O=C(CSc1ncnc2sccc12)c1ccc(Cl)cc1 4313397 KYUHCJXWNPLGBS-UHFFFAOYSA-N 320.826 4.320 0 40 DIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]3[C@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 4896394 QMCLGDBCODWMRX-ZHRPLEGYSA-N 316.441 4.060 0 40 DIAB Cc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C 5268421 YTMMYWZCAMHIFY-UHFFFAOYSA-N 314.385 4.233 0 40 DIAB CCCCCC(=O)Nc1nc2cc(Cl)c(OC)cc2s1 6308526 ITLSUYNKPABZRR-UHFFFAOYSA-N 312.822 4.477 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC 6657085 BEASJZCYJCNZAW-UHFFFAOYSA-N 321.376 4.499 0 40 DIAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c(C)c1 7796261 DVZOHJUIUQCNIY-MFKMUULPSA-N 300.427 4.330 0 40 DIAB CON(C)c1ncnc2scc(-c3ccc(Cl)cc3)c12 7979002 KDRWZYXXINRYAX-UHFFFAOYSA-N 305.790 4.009 0 40 DIAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1 8042399 XDRHOVAMFXBDJM-UHFFFAOYSA-N 308.406 4.295 0 40 DIAB Cc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1 8297543 ZBKZFIGQJDNRCP-UHFFFAOYSA-N 320.417 4.304 0 40 DIAB Cc1cc(C)c(NC(=O)/C=C/c2csc(C)n2)c(Cl)c1 8767491 VPZCXDIODVOJPM-SNAWJCMRSA-N 306.818 4.374 0 40 DIAB Clc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 9421567 LXFKSYVWHOWEJL-UHFFFAOYSA-N 324.771 4.052 0 40 DIAB CN(C(=O)c1ccccc1Cl)c1ccc(N2CCCC2)cc1 10113706 NKOUNOKXZDAZEO-UHFFFAOYSA-N 314.816 4.217 0 40 DIAB O=C(c1ccc(F)cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071491 RFJOTENQMGINPR-UHFFFAOYSA-N 320.367 4.237 0 40 DIAB Cc1cccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)c1C 12493070 LASDCGHTIPCMHM-UHFFFAOYSA-N 306.409 4.374 0 40 DIAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc2ccccc2c1 12921516 OGNODPQGJXZMCI-INIZCTEOSA-N 318.420 4.299 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1C 13612906 LLXNWMLKPVIPEA-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB O=C(CCSCc1ccccc1)Nc1ccc(F)c(F)c1 13688115 WVLKGUXTKSZJDA-UHFFFAOYSA-N 307.365 4.227 0 40 DIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1C 13709663 RLBLVXDXOVSONW-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccnc1 14257981 XYRWHEVIVDOCCU-UHFFFAOYSA-N 310.397 4.147 0 40 DIAB CSc1cccc(NC(=S)Nc2ccc(C(C)=O)cc2)c1 14581377 PKTJWBGCJUVSHC-UHFFFAOYSA-N 316.451 4.420 0 40 DIAB O=C(c1cccs1)N1CCCC[C@@H]1CCN1CCCCCC1 21170799 LOXDZIUHEFXMLS-MRXNPFEDSA-N 320.502 4.009 0 40 DIAB Cc1cccn2c(NC(=O)c3ccco3)c(-c3ccccc3)nc12 21831865 IZEDPPJCBYYAMX-UHFFFAOYSA-N 317.348 4.155 0 40 DIAB Cc1cnc(C(=O)Nc2ccccc2SC2CCCC2)cn1 25268311 VXCWNDBGFDEAIV-UHFFFAOYSA-N 313.426 4.072 0 40 DIAB Cc1ccc([C@H](NC[C@H](O)c2ccccc2)c2ccccc2)cc1 25664782 WRKBIPRRSXHZAA-FCHUYYIVSA-N 317.432 4.408 0 40 DIAB Cc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1 27993509 POCIALMQHRDYIG-UHFFFAOYSA-N 322.433 4.091 0 40 DIAB CCc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 28539962 XKQZSGPTZAAFDE-UHFFFAOYSA-N 322.231 4.091 0 40 DIAB Fc1ccc(Oc2ncnc3ccccc23)c(Br)c1 29165596 NHPIVGDGFNGPLX-UHFFFAOYSA-N 319.133 4.324 0 40 DIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C)c3)n[nH]2)cc1 44837797 ZSBKNCGWJHIXLN-UHFFFAOYSA-N 309.344 4.085 0 40 DIAB c1ccc2[nH]c([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)nc2c1 49169056 HJWOGWXKQZQUBC-AWEZNQCLSA-N 316.408 4.034 0 40 DIAB biogenic,in-vitro CCN(CC)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 72055277 RYJLBVLMLDBOHI-UHFFFAOYSA-N 309.841 4.204 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]21CCO1 84672466 SPPQPIJYSMWOGE-GCOKGBOCSA-N 316.485 4.469 0 40 DIAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H]1c1cccc2ccccc12 107498805 QJMMGZLPQTWIDY-HUYLIWGRSA-N 321.420 4.071 0 40 DIAB Cc1csc(C(=O)N2CCS[C@@H](c3cccs3)CC2)c1 219504065 FLZAWLHSDGSQQA-CYBMUJFWSA-N 323.508 4.438 0 40 DIAB Cc1ccc(SCCC(=O)NCCSC2CCCC2)cc1 223491721 QJTXPVRHAXKMRN-UHFFFAOYSA-N 323.527 4.269 0 40 DIAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1 303088 OZJRPNMZOSCEMZ-UHFFFAOYSA-N 317.348 4.384 0 40 DIAB COc1ccc(-n2c(C)cc(SC)c(C(C)=O)c2=S)cc1 344318 DDTYQIJJJDWIQO-UHFFFAOYSA-N 319.451 4.448 0 40 DIAB Cc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 361204 BJDAQLQUKDJIGB-UHFFFAOYSA-N 315.170 4.475 0 40 DIAB Cc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 404899 URZRSRXYIVLZJO-UHFFFAOYSA-N 314.435 4.336 0 40 DIAB CC[C@@H](c1cccc(OC)c1)[C@@H](C(=O)O)c1ccc(OC)cc1 1724399 YSWXNSSNXKEMCA-ROUUACIJSA-N 314.381 4.066 0 40 DIAB CCCCc1nc2sc3c(OC)ncnc3c2c2c1CCC2 2212750 DAIIDPTZMBRZNO-UHFFFAOYSA-N 313.426 4.079 0 40 DIAB CC(C)c1ccc(O[P@](N)(=O)Oc2ccccc2F)cc1 3195761 IXSPFZDAJVAOMU-NRFANRHFSA-N 309.277 4.474 0 40 DIAB O=C(O[C@@H]1CCCCC1=O)c1sc2ccccc2c1Cl 3303476 UYJGGHRJUFQDPC-LLVKDONJSA-N 308.786 4.223 0 40 DIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 5910205 SPYRHCLAUAASCR-UHFFFAOYSA-N 302.333 4.170 0 40 DIAB biogenic CCCCNC(=S)Nc1cccc(-c2csc(C)n2)c1 7101717 DQHDNAGKEVBNKR-UHFFFAOYSA-N 305.472 4.205 0 40 DIAB O=C(Nc1c(F)cccc1F)c1ccc(N2CCCCC2)cc1 7504688 GMYVOPOZKWIBDA-UHFFFAOYSA-N 316.351 4.207 0 40 DIAB CCOc1c(CNC23CC4CC(CC(C4)C2)C3)cccc1OC 8253454 LXRYHGNLNXMCJX-UHFFFAOYSA-N 315.457 4.152 0 40 DIAB COc1ccccc1CC(=O)Nc1ccc2c3c(cccc13)CC2 11002773 CGYRVKVZKOYKBD-UHFFFAOYSA-N 317.388 4.128 0 40 DIAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)cc1 11438350 VHWZMTYOTGKMPS-AWEZNQCLSA-N 316.470 4.331 0 40 DIAB Cc1cnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 12766378 UPZIEUHUZYLCHG-UHFFFAOYSA-N 324.405 4.283 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)cc(C)c2)cc1 13000380 WUEWYMVLEWNNOW-LJQANCHMSA-N 309.409 4.289 0 40 DIAB C[C@H]1C[C@@H](C)CN(c2nc(-c3ccncc3)nc3ccccc23)C1 13711763 RZOQKTWQEPZBEZ-GASCZTMLSA-N 318.424 4.174 0 40 DIAB COc1ccccc1[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 16317343 ZHDGXJHKBWCGFC-LLVKDONJSA-N 320.845 4.396 0 40 DIAB CC(C)CC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20136836 HMSTWRUQNLEMBF-UHFFFAOYSA-N 307.777 4.077 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)c(F)c1 20488495 IKUZQPBPRNUKEN-KRWDZBQOSA-N 319.351 4.378 0 40 DIAB O=C(NCC1(c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 22679981 KZYAPYIMBWRPSV-UHFFFAOYSA-N 315.482 4.112 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(COc2ccccc2)o1 23976111 SCOLMFXCNQCHJM-WMLDXEAASA-N 313.397 4.167 0 40 DIAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CC=CCC1 25283213 COEUMWLWBXIFLY-VQTJNVASSA-N 305.421 4.443 0 40 DIAB Cc1ccc(-n2ccnc2SCC(=O)c2ccccc2)c(C)c1 26035273 AJGRJGZNUVYAES-UHFFFAOYSA-N 322.433 4.464 0 40 DIAB Cc1ccccc1SCC(=O)c1c(C)cc(C(=O)O)cc1C 28527114 QHNOMBLUBFOKRS-UHFFFAOYSA-N 314.406 4.285 0 40 DIAB Cc1ccn2c(CN(C)C)c(-c3ccc(Cl)c(C)c3)nc2c1 31933062 JVRYKIFWQHMXLM-UHFFFAOYSA-N 313.832 4.333 0 40 DIAB O=C(Nc1cccc2cnccc12)N1CC[C@@H]2CCCC[C@@H]2C1 43162313 ZCQSAVUMBZLUAE-GOEBONIOSA-N 309.413 4.279 0 40 DIAB CSC(SC)=C1CCC[C@@H]2C1=NN[C@H]2c1ccccc1 51329755 KZGYSMOCJQUBEP-JSGCOSHPSA-N 304.484 4.425 0 40 DIAB O=C(Nc1n[nH]c2ccccc12)c1cc(F)c(Cl)cc1Cl 55351564 RKKBWTYZTQSOFR-UHFFFAOYSA-N 324.142 4.261 0 40 DIAB CCCCN1CCCC[C@@H]1c1cnc(N2CCCC2)cc1C 72218884 WJONPTQEMHPACE-GOSISDBHSA-N 301.478 4.317 0 40 DIAB O=C(/C=C/c1ccccc1Cl)NCCCc1ccc(F)cc1 78579016 JWQGIRYPZLTGER-FMIVXFBMSA-N 317.791 4.241 0 40 DIAB Cc1cc([C@H](O)c2cccc(Br)c2)ccc1Cl 95730201 DHZXBQNYWFEYKE-CQSZACIVSA-N 311.606 4.493 0 40 DIAB CC[C@H](NCc1ccc(C2OCCO2)cc1)c1ccc(F)cc1 96477575 QXRRXRAEYKZMQO-SFHVURJKSA-N 315.388 4.112 0 40 DIAB Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)cccc1C(C)C 96659375 UZTKILDEDUUYGE-UHFFFAOYSA-N 321.417 4.367 0 40 DIAB Cc1ccc(NC(=O)CC[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)cc1 100362748 FCOGMMQNZJTDOD-GUXCAODWSA-N 313.441 4.355 0 40 DIAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C(C)C)CC2)cc1 100849289 HRNXETQNTHIERV-JYWFKMLOSA-N 323.436 4.113 0 40 DIAB C[C@H](Sc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103927298 DXTGDKILHFWZCF-RVFOSREFSA-N 321.461 4.247 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 148103624 NMGXTKCYPBREOB-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB Cc1cc(Cl)nc(COc2c(Cl)cccc2Cl)n1 163685406 GYIKSXMZNUHMSO-UHFFFAOYSA-N 303.576 4.324 0 40 DIAB C[C@H](c1cccc2ccccc12)N1C(=O)CC[C@]12CCCC2=O 208352023 UKLLBFJHPRAKSW-VLIAUNLRSA-N 307.393 4.015 0 40 DIAB Nc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1F 226365468 OWYLRHOQODAURJ-UHFFFAOYSA-N 314.291 4.059 0 40 DIAB Cc1cccn2cc(-c3ccccc3NC(=O)c3ccoc3)nc12 390828084 OLZNAWFCQWFJHG-UHFFFAOYSA-N 317.348 4.155 0 40 DIAB COc1ccc(CCCC(=O)N[C@H](C)c2ccccc2)c(C)c1 408915889 RLMZIBJASXGWJL-MRXNPFEDSA-N 311.425 4.204 0 40 DIAB CCOC(=O)CCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 575361273 WCVFYXPZLGMBBH-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1F 1775972196 NHNMLOQQMUGJLL-HOTGVXAUSA-N 315.388 4.082 0 40 DIAB O=c1oc2ccccc2cc1-c1cccc(Br)c1 57798 PZTMHZBAFAPFOT-UHFFFAOYSA-N 301.139 4.223 0 40 DIAB biogenic O=C(Nc1nc2c(Cl)cccc2s1)c1ccccc1F 364058 WFDQLNJSRAQNGS-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1 385347 XITUCKFBZVDDDY-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 431001 KEHVNHPRFKBJJE-BHTJOUODSA-N 319.360 4.095 0 40 DIAB CCOc1ccc2[nH]c3c(N4CCCC(C)(C)C4)ncnc3c2c1 541836 GJKJNSCYGLRBRZ-UHFFFAOYSA-N 324.428 4.136 0 40 DIAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2C)c1 557906 RBXUQJYDINIXJO-UHFFFAOYSA-N 310.397 4.294 0 40 DIAB CCC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 560814 PVXXUIJZEYOKBR-UHFFFAOYSA-N 320.392 4.181 0 40 DIAB CCCCn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 1780726 VYJZUAZOWWBINS-UHFFFAOYSA-N 316.401 4.373 0 40 DIAB O=C(OCC(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 3280007 VVLVMWKYIFXAOS-UHFFFAOYSA-N 315.177 4.095 0 40 DIAB Cc1ccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)cc1 3338294 QMDBIVYFVYHCQJ-IBGZPJMESA-N 308.425 4.207 0 40 DIAB CCCSc1nc2c(c(=O)[nH]1)[C@](C)(CC)Cc1ccccc1-2 3771728 DBIFJSUGQSVQGV-GOSISDBHSA-N 314.454 4.163 0 40 DIAB Cc1ccc(C2=N/C(=C\c3ccc4ccccc4c3)C(=O)O2)cc1 4714075 NGKXGSJZKZTKJK-UYRXBGFRSA-N 313.356 4.493 0 40 DIAB O=C(Nc1ccc(Br)cc1)OC[C@@H]1C[C@@H]2C=C[C@H]1C2 4771134 DIIYEJWDFCRNSN-WOPDTQHZSA-N 322.202 4.210 0 40 DIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1CCCCC1 4926792 AWUIAYNQLHMDRX-DJIMGWMZSA-N 324.461 4.114 0 40 DIAB Cc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928715 OOJBTAJAYKGFAA-IBGZPJMESA-N 317.392 4.085 0 40 DIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc2ccccc2o1 5425840 BGHWHLPABISELT-CQSZACIVSA-N 309.390 4.400 0 40 DIAB CCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 6605180 VGIKAQLFCJCJQK-UHFFFAOYSA-N 300.789 4.331 0 40 DIAB C[C@H](NC(=O)CSC1CCCC1)c1ccc2c(c1)CCCC2 7817491 OIRFWQZGFIRWBY-AWEZNQCLSA-N 317.498 4.418 0 40 DIAB CC[C@@H](C)NCc1ccc(OCc2ccccc2F)c(OC)c1 8325974 ZQTDSFRKPZBAQS-CQSZACIVSA-N 317.404 4.301 0 40 DIAB O=C(N[C@H]1CCSc2ccccc21)c1c(F)cccc1Cl 8724798 UCPXKWGDWDEOKN-ZDUSSCGKSA-N 321.804 4.446 0 40 DIAB Cc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 9155554 OBEXUCXAMLNPKX-VBYSZHOYSA-N 322.499 4.113 0 40 DIAB O=C(CCc1ccc(F)cc1)Nc1ccc(Br)cc1 9256917 UQLINOABBQOSRO-UHFFFAOYSA-N 322.177 4.160 0 40 DIAB O=C(Nc1ccc2scnc2c1)c1nc2ccccc2s1 10217448 YIKZARXKVKHBGV-UHFFFAOYSA-N 311.391 4.158 0 40 DIAB O[C@@H](Cn1c(-c2ccccc2)nc2ccccc21)c1ccccc1 12507444 PPHNRHPNBPXPPZ-FQEVSTJZSA-N 314.388 4.437 0 40 DIAB O=C(CSc1ncc2ccccn12)c1ccc(Cl)s1 12556797 IQWLONOPQLRGPP-UHFFFAOYSA-N 308.815 4.024 0 40 DIAB CCCCNC(=S)Nc1ccc(Br)c(Cl)c1 13840874 NJSZQXBCYZJDMG-UHFFFAOYSA-N 321.671 4.189 0 40 DIAB COc1ccc(CC(=O)Nc2cccc3ccccc23)cc1C 13972025 QFJYJDNNHUWLBN-UHFFFAOYSA-N 305.377 4.338 0 40 DIAB Cc1cccc(C(=O)N2CCc3cc4ccc(C)cc4nc32)c1 15841915 ZUKGIUQQJDVQMU-UHFFFAOYSA-N 302.377 4.055 0 40 DIAB Cc1ccc(-n2ncc3c2C[C@@H](c2cccc(C)c2)CC3=O)cc1 17053897 ZILANSIZYUMFQB-QGZVFWFLSA-N 316.404 4.402 0 40 DIAB Cc1occc1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 21557634 QDLIUYKCXHHDJP-JTQLQIEISA-N 300.383 4.031 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1)c1cccs1 32201165 LJGFIOPKGDDHEI-MDZITOCBSA-N 301.411 4.355 0 40 DIAB COc1ccc(CSc2noc(-c3ccc(F)cc3)n2)cc1 32611990 SAOCTNRKOUFCPE-UHFFFAOYSA-N 316.357 4.177 0 40 DIAB O=C(NCc1cccc(Oc2ccccc2)c1)NCc1ccco1 32933426 UIQRQHBITKXREL-UHFFFAOYSA-N 322.364 4.071 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C 38771392 MBXYALKBENMURZ-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB Clc1ccc(OC[C@H]2CCCNC2)c(-c2ccccc2)c1 42775497 SKCVFTFHYPSOGS-AWEZNQCLSA-N 301.817 4.385 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C)c(C)c1 44845401 WXYNAPKSDJLOMF-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1 51354262 HLEQGVOGVFSDDI-UHFFFAOYSA-N 312.369 4.070 0 40 DIAB c1ccc2c(SCc3noc(C4CC4)n3)nc(C3CC3)nc2c1 52891384 JBGBJIZBTYZYLH-UHFFFAOYSA-N 324.409 4.060 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)NC[C@@H]1CC=CCC1 58049344 WMJXBHQFBFXJRX-CYBMUJFWSA-N 309.862 4.046 0 40 DIAB CCSCCC(=O)Nc1scnc1-c1ccc(F)cc1 69420143 JWRTWEONVJTXRO-UHFFFAOYSA-N 310.419 4.031 0 40 DIAB CCCCn1c(SCc2nnc(C3CCC3)o2)nc(C)c1C 71893954 MQTSXRDBHUETDB-UHFFFAOYSA-N 320.462 4.243 0 40 DIAB Cc1ncc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)o1 73952215 APQNUQRCVAPUCY-UHFFFAOYSA-N 318.376 4.320 0 40 DIAB Cc1ccnc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 79440808 UYKZTQKWIKXDMV-AWEZNQCLSA-N 322.474 4.272 0 40 DIAB Clc1ccc(-c2nc(CSC[C@H]3CCCCO3)no2)cc1 84421708 KFFCJJPANPKRJA-CYBMUJFWSA-N 324.833 4.192 0 40 DIAB O=C(c1cc(Cl)ccc1Cl)N1CC[C@@H](c2ccccn2)C1 85472934 BPEUCJSRYZWYFY-LLVKDONJSA-N 321.207 4.018 0 40 DIAB CC[C@@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1c(C)noc1C 90886636 ZHENVOOVVMCWIS-APPDUMDISA-N 315.417 4.052 0 40 DIAB Cc1cc([C@@H](O)c2ccccc2Br)ccc1Cl 95730070 RZVNIGPEVSLIHT-CQSZACIVSA-N 311.606 4.493 0 40 DIAB Cc1cc(C)c([C@@H](C)NCc2ccc([S@](C)=O)cc2)c(C)c1 97227508 XAVYDQIZCBQCFK-OPAMFIHVSA-N 315.482 4.200 0 40 DIAB CCCCC[C@H](CC)C(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 100921776 LBIKQFGVWXYZPI-RDJZCZTQSA-N 314.429 4.201 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1F 113954039 HJJRPDUOBOIRAG-CQSZACIVSA-N 307.752 4.275 0 40 DIAB O=[n+]1c2c(n(O)c3ccccc31)CCCCCCCCCC2 138159565 OIZUZLYSIYMNKI-UHFFFAOYSA-N 301.410 4.013 0 40 DIAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCC2 223250299 RPGJXLOPNVVQGC-NSHDSACASA-N 317.791 4.459 0 40 DIAB Cc1ccc(C)c(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c1 225027945 NAFDMAYBVRIOPE-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC1(C)C(=O)CC[C@@H]2C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 254048492 YSDQCJCKZSSBFR-HDNGARRUSA-N 302.458 4.125 0 40 DIAB CC[C@@H](C(=O)NCc1ccc(-c2ccoc2)nc1)c1ccccc1 390829352 DTZQYGDRFSLTOT-GOSISDBHSA-N 320.392 4.152 0 40 DIAB S=C(Nc1cccc(Cl)c1)Nc1ccc2conc2c1 409193104 BSIRLBCDYVRBPL-UHFFFAOYSA-N 303.774 4.290 0 40 DIAB Fc1ccc(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)nc1 529535084 SZQHHCVNJDBHKD-UHFFFAOYSA-N 322.387 4.033 0 40 DIAB O=C(c1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 311374 ILWVTVGGARYDIR-UHFFFAOYSA-N 306.192 4.192 0 40 DIAB CC(C)Oc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1 479449 FFSTXISXZXPYMJ-UHFFFAOYSA-N 313.441 4.028 0 40 DIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 574423 LJJRANMNMGBOKG-UHFFFAOYSA-N 314.143 4.150 0 40 DIAB COc1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 818118 MPWSMSIPFHFSJK-IBGZPJMESA-N 305.381 4.148 0 40 DIAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1 3093780 JUQQCLAGYHFRPT-UHFFFAOYSA-N 313.397 4.254 0 40 DIAB COc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc12 3163502 BZUKQJJRHKDXKG-UHFFFAOYSA-N 312.394 4.174 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1c(F)cccc1Cl 3334582 RMEGRDJVZXCZQP-HNNXBMFYSA-N 303.764 4.287 0 40 DIAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccccc2Cl)o1 5119460 YKWYPUOJRTWQQQ-SKDRFNHKSA-N 311.838 4.061 0 40 DIAB O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(F)ccc2s1 8314077 DAMOIBXRTXCJOZ-UHFFFAOYSA-N 315.325 4.021 0 40 DIAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccnc1 21596107 JWGHGSZENNCUGN-UHFFFAOYSA-N 312.413 4.175 0 40 DIAB CC(C)c1cc(C(=O)N[C@H](C)c2ccco2)c2ccccc2n1 25261192 WFKCVFFKINIQQO-CYBMUJFWSA-N 308.381 4.442 0 40 DIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1F 28210901 JUJYVGVRGDNQDP-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB Cc1ccsc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28303933 OJXZBHSDTUGSMP-CQSZACIVSA-N 310.422 4.338 0 40 DIAB CC(C)(C)c1ccc(S(=O)(=O)/C=C\c2ccccc2)cc1 31717119 IOOHLKGUAKACCB-YPKPFQOOSA-N 300.423 4.429 0 40 DIAB Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)s1 36392570 TXMCPHGHGCBINY-UHFFFAOYSA-N 317.307 4.144 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2CC)c1 38756796 MCYIYNDSKXXCAO-AWEZNQCLSA-N 313.397 4.054 0 40 DIAB CC(C)c1ccccc1NC(=O)NCCc1ccccc1F 40097303 GNAILNDLAXJYDC-UHFFFAOYSA-N 300.377 4.313 0 40 DIAB COC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 44199941 HHJLUJGYZFXISM-UHFFFAOYSA-N 311.164 4.359 0 40 DIAB Cc1nc(CCc2ccccc2)sc1C(=O)Nc1ccccc1 58369939 JRHXAPGCUHFKTH-UHFFFAOYSA-N 322.433 4.489 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 70461142 UTRWTYKOWAWHQS-INIZCTEOSA-N 317.816 4.406 0 40 DIAB O=C(NCC1CCCC1)Nc1cccc(C2SCCS2)c1 76085945 PZYDYHLJDWMVJC-UHFFFAOYSA-N 322.499 4.477 0 40 DIAB COc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 95353017 LKQRZZOYDIXELA-UHFFFAOYSA-N 314.385 4.265 0 40 DIAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1cccnc1 95429360 OLVZLWQBECTNQL-UHFFFAOYSA-N 313.401 4.349 0 40 DIAB O=C([C@H]1C[C@@H]1c1ccccc1F)N1CCCC12CCCCC2 95444172 NTENMQBYMAGCMP-CVEARBPZSA-N 301.405 4.255 0 40 DIAB CCc1nc(CN[C@@H](C)c2ncc(-c3ccccc3)o2)cs1 97112297 LKGAMUZDKFEEKR-LBPRGKRZSA-N 313.426 4.211 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2F)cc1 222709356 ACKOXZBTEQXQPL-CQSZACIVSA-N 317.429 4.245 0 40 DIAB Cc1ccc(CCC(=O)NCc2cccc3ccccc23)cc1 222853257 MSUSATUMTLIQRR-UHFFFAOYSA-N 303.405 4.397 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223207364 WBVZTJONLBNWSY-JKSUJKDBSA-N 323.436 4.128 0 40 DIAB CCCNC(=O)c1cc(N)ccc1Nc1cccc2ccccc12 225467967 PUTPEXOWMFZJII-UHFFFAOYSA-N 319.408 4.305 0 40 DIAB Cc1ccc(C(=O)NCc2cccnc2-c2ccsc2)s1 225647390 IKNLTXFCDZSFTC-UHFFFAOYSA-N 314.435 4.110 0 40 DIAB CCc1nc2cc(C(=O)Nc3cccc(C)c3C)ccc2n1C 225896205 LAJGOLLAXAJCQK-UHFFFAOYSA-N 307.397 4.005 0 40 DIAB C[C@]1(C(=O)O)CCC[C@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@H]4CO 253390325 XAFFBHRHOULDSM-YUCWNLPMSA-N 318.457 4.013 0 40 DIAB biogenic,in-vitro Cc1ccccc1C(=O)NC[C@H](c1ccsc1)c1ccco1 618255904 BROBRRXXHPBTRQ-MRXNPFEDSA-N 311.406 4.211 0 40 DIAB COc1ccc2nc(N3CCC(C(F)(F)F)CC3)sc2c1 1888854055 FWJIZYDASIXCCZ-UHFFFAOYSA-N 316.348 4.084 0 40 DIAB Cc1ccc(OC(=O)c2ccc(Br)cc2)c(C)c1 362379 JOWIYTOQLNXJRK-UHFFFAOYSA-N 305.171 4.285 0 40 DIAB CCc1cc2ccc(C)cc2nc1SCC(=O)OC(C)C 413642 CFIYYOTVQLGUSY-UHFFFAOYSA-N 303.427 4.149 0 40 DIAB CCc1c(Nc2ccc(Cl)c(Cl)c2)[nH]c(N)nc1=S 1682335 SSHLMINARJNTIY-UHFFFAOYSA-N 315.229 4.334 0 40 DIAB Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1 1692392 UPNORGIBUMCVRU-UHFFFAOYSA-N 305.377 4.427 0 40 DIAB O[C@@H](c1cc(C2CCCCC2)nc2ccccc12)[C@@H]1CCCCN1 1729644 TXNJKGIJVCAFQP-FPOVZHCZSA-N 324.468 4.458 0 40 DIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(F)cc1Cl 2515412 ZCVBDWPUMXZBOB-UHFFFAOYSA-N 315.775 4.082 0 40 DIAB COc1ccccc1C(=O)CCc1ccc(Br)cc1 2516748 ZXAUGTTULHEKLQ-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB Cn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 3328773 KHEDFHPFXWEIBU-UHFFFAOYSA-N 315.829 4.428 0 40 DIAB Cc1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1 3469761 PGOLDYUZTIUVRM-ZDUSSCGKSA-N 321.471 4.251 0 40 DIAB Cc1cc(C)cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 3512783 LZIWINZVPALNDT-UHFFFAOYSA-N 322.360 4.075 0 40 DIAB CC(=O)N1N=C(c2ccc(OC(C)C)cc2)C[C@H]1c1ccccc1 4247914 QEOIKPRWUOURDP-FQEVSTJZSA-N 322.408 4.171 0 40 DIAB COc1cc(OC)cc(C(=O)Oc2cccc3ccccc23)c1 4603940 ILGVNTIMNDBUAD-UHFFFAOYSA-N 308.333 4.076 0 40 DIAB O=C1c2ccccc2N[C@H](c2cccs2)N1Cc1ccco1 5689848 FHNAAXALWRODCN-INIZCTEOSA-N 310.378 4.108 0 40 DIAB COc1cccc(OC)c1C(=O)Nc1c(C)cccc1C(C)C 5756057 JMXVIDRXGPFHGM-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB CCc1ccc(NC(=O)c2oc3ccccc3c2COC)cc1 7950721 QOGHUCDNZIDJFT-UHFFFAOYSA-N 309.365 4.394 0 40 DIAB c1ccc(-c2nc(CN3CCCc4ccccc43)cs2)nc1 11048818 LFKWEBJTVUNDEA-UHFFFAOYSA-N 307.422 4.158 0 40 DIAB c1ccc(Cn2c(CN3CCCCCC3)nc3ccccc32)cc1 13943963 STVPPXBJTMOMMW-UHFFFAOYSA-N 319.452 4.461 0 40 DIAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1F 14506644 PIJKZQLEZIZMOG-UHFFFAOYSA-N 318.779 4.332 0 40 DIAB C[C@H](NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1 29240588 HUUBIDVAQQLIFS-JTQLQIEISA-N 311.278 4.336 0 40 DIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 30848954 ATPZTJMTOXFIRF-JKSUJKDBSA-N 313.466 4.494 0 40 DIAB COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccccc1 30987351 FWZMGQCNRFYKDI-UHFFFAOYSA-N 318.804 4.021 0 40 DIAB CC(C)(C)c1ccc(OCCCn2nnc3ccccc32)cc1 35143489 LXGHJVSTRFECLD-UHFFFAOYSA-N 309.413 4.198 0 40 DIAB c1ccc(-c2cc(NCCc3c[nH]c4ccccc34)ncn2)cc1 36708963 JYKXDPWFGGRZRT-UHFFFAOYSA-N 314.392 4.280 0 40 DIAB CC(C)c1ccc([C@H](C)NC(=O)c2noc3c2CCCC3)cc1 40157118 OQDZSLVKRFFLCH-ZDUSSCGKSA-N 312.413 4.168 0 40 DIAB c1ccc2c(N3CCCCC3)nc(N3CCCCCC3)nc2c1 41148746 NNWWRTDFMSGSHP-UHFFFAOYSA-N 310.445 4.001 0 40 DIAB Cc1cc(F)ccc1NC(=O)NCCSc1ccccc1 43421381 LLAMVAPMVJXVBX-UHFFFAOYSA-N 304.390 4.048 0 40 DIAB CCOC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 71234029 MFSQXGLKHZKBEU-UHFFFAOYSA-N 312.394 4.032 0 40 DIAB CC(C)[C@H](CNc1ncnc2ccsc12)Nc1ccccc1 84410450 RZLRXHKUKPNYLV-HNNXBMFYSA-N 312.442 4.240 0 40 DIAB O=C(Oc1cccc(C(F)(F)F)c1)C1(c2ccc(F)cc2)CC1 95349145 AIGNFOYINSHCPJ-UHFFFAOYSA-N 324.273 4.482 0 40 DIAB CC(=O)c1cccc(NC(=O)N2CCCC[C@H]3CCCC[C@@H]32)c1 95457595 GDURBYDPCJDRSB-QAPCUYQASA-N 314.429 4.466 0 40 DIAB O=C(c1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21 216954723 ISTUGJDMOZHCDQ-UHFFFAOYSA-N 320.175 4.129 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225613804 MFCCPQDTQHSOPB-IBGZPJMESA-N 321.461 4.482 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225638097 HUWNVJMYRBLBPV-DJJJIMSYSA-N 319.445 4.236 0 40 DIAB CCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225686736 MAOGPZCZGIRBTI-IBGZPJMESA-N 321.461 4.482 0 40 DIAB FC(F)(F)c1ncnc(Cl)c1Cc1ccccc1Cl 257197709 GVGNUCKEWIAWIK-UHFFFAOYSA-N 307.102 4.393 0 40 DIAB O=C(Cc1ccccc1Cl)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257592 YSVLUUVUNVMSEU-HOTGVXAUSA-N 301.817 4.126 0 40 DIAB OCc1cc(-c2cccs2)nc2ccc(Br)cc12 685937541 QSSXETXKIZIRMX-UHFFFAOYSA-N 320.211 4.218 0 40 DIAB CC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2ccccc12 200546 ZHXBRLQKSGXFNC-LBPRGKRZSA-N 310.422 4.492 0 40 DIAB COc1ccccc1-n1c(C)cc(SC)c(C(C)=O)c1=S 344320 SFIAPCMCAFXBIT-UHFFFAOYSA-N 319.451 4.448 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 382638 OXYXZYAFJYTEHV-ZDUSSCGKSA-N 319.857 4.445 0 40 DIAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 422451 KTPFSOQUYDYJOP-UHFFFAOYSA-N 310.378 4.020 0 40 DIAB COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 2709817 VSUUINVWYMYQJO-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB CCOCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3440475 IBYOIDMGKUZLJK-UHFFFAOYSA-N 308.381 4.084 0 40 DIAB Cc1cc(F)ccc1NC(=O)c1cccc(Br)c1 5617668 KKFKJLHAHHHAOZ-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCc1cccc2c(C(=O)COc3ccc(C(C)=O)cc3)c[nH]c12 5654267 UOOPIKZESCLMEH-UHFFFAOYSA-N 321.376 4.195 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5883794 JGMOKGBVKVMRFX-AUYGFBLUSA-N 312.453 4.500 0 40 DIAB in-vitro Clc1ccc([C@H]2C[C@@H](c3cccs3)Nc3ncnn32)cc1 5896979 WRZDVQCCPIAANP-QWHCGFSZSA-N 316.817 4.139 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(Cl)cc1 12591212 CWUJOEULFWYDMK-BETUJISGSA-N 311.878 4.363 0 40 DIAB CCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12604304 XEIJNUSKQSFFNZ-SFHVURJKSA-N 319.408 4.103 0 40 DIAB C[C@H](NC(=O)c1cccc2ncccc12)c1cc2ccccc2o1 12982286 SSPNBBJFIGWAHV-ZDUSSCGKSA-N 316.360 4.472 0 40 DIAB CC(C)c1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1 14218398 GEVYUGBYFPIYOC-UHFFFAOYSA-N 322.290 4.059 0 40 DIAB CCc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 15199166 CLRLKEMJURXBAB-MRXNPFEDSA-N 315.413 4.355 0 40 DIAB O=C(Nc1cccnc1)c1cc(-c2ccco2)nc2ccccc12 15436303 ZKDCAWOJTIEHDX-UHFFFAOYSA-N 315.332 4.142 0 40 DIAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3)cs2)cc1 15832455 YKULMOOPKBJJTH-UHFFFAOYSA-N 308.406 4.049 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(F)c2)c1 20459156 RHYJGZWDNNMLCZ-AWEZNQCLSA-N 301.361 4.157 0 40 DIAB CCCCC[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(C)c12 22314218 VFKPETRCBHHTBB-NSHDSACASA-N 315.417 4.107 0 40 DIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1 22508523 VTEHAMGKXUWASO-IBGZPJMESA-N 319.404 4.314 0 40 DIAB CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 23038957 GOKOLCZWTUVRJU-UHFFFAOYSA-N 323.801 4.139 0 40 DIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(C)cc1 24040845 YSMUHYUIUAAPDV-RBUKOAKNSA-N 311.425 4.420 0 40 DIAB CCN(C(=O)c1cc(-c2ccc(C)c(F)c2)on1)c1ccccc1 27584809 ZNQKJFRCBNZAGJ-UHFFFAOYSA-N 324.355 4.456 0 40 DIAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)cc1 27744729 XKWPHQPZHFCNEM-UHFFFAOYSA-N 322.364 4.219 0 40 DIAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 29484251 QIRKISFXVLEOHO-UHFFFAOYSA-N 306.365 4.147 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC(C)(C)C1 44848295 BUSVSLZQNHONCB-HNNXBMFYSA-N 309.837 4.146 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)c(C)c1 59351584 PVQQXUVCDDZZEC-QGZVFWFLSA-N 311.425 4.176 0 40 DIAB CNc1nc2c(s1)[C@@H](c1cccc3ccccc13)CC(O)=N2 61718234 ZWCKRXHETCOSRT-CYBMUJFWSA-N 309.394 4.462 0 40 DIAB CCn1c(=S)[nH]c2c(-c3ccc(C)cc3)csc2c1=O 62591975 ZUOBOTDZTVPQPA-UHFFFAOYSA-N 302.424 4.116 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72214749 LIQSKIMZLOIQGA-UHFFFAOYSA-N 317.433 4.206 0 40 DIAB c1cncc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)c1 72396565 GNYBIBAMARVEDT-UHFFFAOYSA-N 318.336 4.004 0 40 DIAB COc1cccc2cc(C(=O)Nc3cccc(SC)c3)oc12 73742539 ZBWVOWIPVQMDJI-UHFFFAOYSA-N 313.378 4.416 0 40 DIAB O=C(Cc1cccs1)N(Cc1ccoc1)Cc1cccs1 90747536 HMXGEZQKNLSEPJ-UHFFFAOYSA-N 317.435 4.174 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 104865994 MJXLAOKVNZRTNY-XHBSWPGZSA-N 310.388 4.246 0 40 DIAB CCCOc1cccc(NC(=O)Nc2c(C)noc2C2CC2)c1 121828424 YMCVUIVWJPTDKK-UHFFFAOYSA-N 315.373 4.293 0 40 DIAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)c1ccccn1)CC2 186105009 OEHLIVGBMPKWIX-LIRRHRJNSA-N 323.440 4.253 0 40 DIAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc(C)cc1C 222757016 UCIPDNIPDREYDJ-LJQANCHMSA-N 311.425 4.258 0 40 DIAB CCSc1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 224803959 GJAQNUMLOHKJPW-UHFFFAOYSA-N 315.438 4.297 0 40 DIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1C 224936825 JZKAOFVHSGOEHP-UHFFFAOYSA-N 324.424 4.246 0 40 DIAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccccc1 225480596 FXQXHFOIQCSLRS-AWEZNQCLSA-N 306.381 4.403 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccc3c(c2)CCCC3)cc1 225628734 JWIBSZSMNBZOHM-UHFFFAOYSA-N 307.437 4.236 0 40 DIAB O=C(NCC[C@H]1CCc2ccccc21)c1cc(Cl)ccc1F 1534542080 DLIHVQALHASOKV-CYBMUJFWSA-N 317.791 4.329 0 40 DIAB Cc1cc(=O)oc2cc(Cl)c(OCc3ccccc3)cc12 36223 MXOUNIHPJCWDFZ-UHFFFAOYSA-N 300.741 4.334 0 40 DIAB biogenic,in-vitro C[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 1513920 USCDYTZKVPCGIQ-VIFPVBQESA-N 306.818 4.174 0 40 DIAB O=C(NCc1ccccc1)c1ccc(Oc2ccccc2)cc1 1514445 UVQJWDVKLQCYNJ-UHFFFAOYSA-N 303.361 4.409 0 40 DIAB O=C(COc1ccccc1-c1ccccc1)NCC1CCCCC1 3428239 GRBWIIHMDCGVBM-UHFFFAOYSA-N 323.436 4.429 0 40 DIAB C[C@@]12CCC(=O)C[C@@H]1CCC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 5028682 ZHDRIWJLYAMNQD-IVURAULGSA-N 304.474 4.349 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(C)s1 5054393 IJDHBPYENSCLDJ-JTQLQIEISA-N 321.471 4.091 0 40 DIAB CC(C)c1ccc(Oc2nc3ccccc3n3cnnc23)cc1 5422954 BMYQBLWTZDHKLR-UHFFFAOYSA-N 304.353 4.193 0 40 DIAB Cc1ccc(NC(=O)c2ccccc2Br)cc1F 5702062 AHRJIGPBMAEQED-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6053517 KJVXXSKSHAIIMC-UHFFFAOYSA-N 303.833 4.286 0 40 DIAB O=C(Nc1ccc2nc(S)sc2c1)Nc1ccccc1F 6513918 XXZCEVYIMOVDGT-UHFFFAOYSA-N 319.386 4.368 0 40 DIAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1 6810677 WXPRRNXXWRTPOH-UHFFFAOYSA-N 311.406 4.492 0 40 DIAB CSCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 7767803 NRTPWEKBFNFXQI-UHFFFAOYSA-N 314.435 4.412 0 40 DIAB COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)ccc1C 8013220 OTHUVCSRYHHFBC-INIZCTEOSA-N 303.427 4.192 0 40 DIAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)C3CC3)c3ccccc3n2)o1 8132168 ZPLJAGGXHCYGSF-ZDUSSCGKSA-N 320.392 4.332 0 40 DIAB C[C@@H]1CCc2nc(NC(=O)Nc3ccccc3F)sc2C1 8405368 QSXJEATYESAXOF-SECBINFHSA-N 305.378 4.051 0 40 DIAB Cc1ccc(NC(=O)c2c(N)sc3c2CCCC3)c(C)c1 8549649 ACWBDMKMYGEPGH-UHFFFAOYSA-N 300.427 4.078 0 40 DIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 8780351 UVJLBTAXJYUWDP-LBPRGKRZSA-N 318.804 4.178 0 40 DIAB CC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cc1 9112865 UXRBCQWSOZFUQY-UHFFFAOYSA-N 320.348 4.105 0 40 DIAB O=C(NCCc1cccs1)c1cc2c(F)cccc2s1 10218522 JIRBCSQLCVLTHI-UHFFFAOYSA-N 305.399 4.074 0 40 DIAB Cc1cccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1 11052288 NAPDXRYOQFIVGN-CQSZACIVSA-N 323.392 4.011 0 40 DIAB COc1ccc2oc(C)c(C(=O)Nc3ccccc3OC)c2c1 11866425 BOAZTTYIUMVJOO-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB biogenic Cc1ccc(CNC(=O)c2csc3c2CCCC3)cc1F 12928150 YGLGKMAZFVCANS-UHFFFAOYSA-N 303.402 4.004 0 40 DIAB Cc1ccc(C)c(C(=O)CSc2nc(C3CCCC3)n[nH]2)c1 12980447 UHHNCTMCNUDZRV-UHFFFAOYSA-N 315.442 4.054 0 40 DIAB CC(C)c1ccc(-c2c(N)nnc3c4ccccc4n(C)c23)cc1 13580554 QESKTGPWJKWNMI-UHFFFAOYSA-N 316.408 4.494 0 40 DIAB COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1Cl 14664111 LECWPKZSPKPHBH-UHFFFAOYSA-N 319.788 4.388 0 40 DIAB O=C(c1cc(F)c(Cl)cc1Cl)N1CCc2ccccc2C1 15627421 NDDYUGKKFWJWNS-UHFFFAOYSA-N 324.182 4.331 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1F 15801062 DUVDMFRYROTMQW-NSHDSACASA-N 307.365 4.225 0 40 DIAB Cc1c(Cc2cccc(Cl)c2)c(O)nc2nc3ccccc3n12 18222251 UAVTZGKWKQJYJR-UHFFFAOYSA-N 323.783 4.141 0 40 DIAB Cc1cc([C@@H]2CCCCCN2Cc2cc(F)cc(F)c2)on1 19120215 KGHHNDRUBAYODM-INIZCTEOSA-N 306.356 4.379 0 40 DIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20107594 SJZGJFLGNIQFEH-RYUDHWBXSA-N 321.779 4.124 0 40 DIAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 20108854 GGPVKBBCGRLUAS-OAHLLOKOSA-N 315.388 4.171 0 40 DIAB CCOC(=O)/C=C\c1ccc(OC)c(Oc2ccc(C)cc2)c1 32275758 PSVOWHJBWQMDQO-WQLSENKSSA-N 312.365 4.372 0 40 DIAB Cc1ccc(NC(=O)NCCSCc2ccccc2)c(C)c1 33438654 IHZCTHAQSIXLOO-UHFFFAOYSA-N 314.454 4.358 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c1 38757114 JPYHGTCBFWHOFH-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB O=C(O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 39368399 KAFWCOSILBKDLT-UHFFFAOYSA-N 317.650 4.244 0 40 DIAB CC(C)CO[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccs1 42474083 UTCSDVGZXRMTMK-RHSMWYFYSA-N 317.454 4.015 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC1=CCCCC1 44901182 JTZXROIRQRSXRS-SFHVURJKSA-N 315.457 4.468 0 40 DIAB Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc(Cl)c2)s1 49549873 PZQPXWQQONOYGS-UHFFFAOYSA-N 315.225 4.248 0 40 DIAB c1ccc(CCCN2CCC(CN3CCCCCC3)CC2)cc1 58470720 WEWCQLKOXXRODZ-UHFFFAOYSA-N 314.517 4.207 0 40 DIAB Cc1cc(C)c(NC(=O)c2c(C)nc3ccc(C)cn23)c(C)c1 71459187 PCZKWIHVXSNVQU-UHFFFAOYSA-N 307.397 4.129 0 40 DIAB CCSc1nnc(SC[C@@H]2OCCc3ccccc32)s1 71908485 LVKOEEQWNAHGOZ-LBPRGKRZSA-N 324.496 4.056 0 40 DIAB CC[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc(Cl)cc1 89941921 PTHAGIPPMHGOKS-CYBMUJFWSA-N 321.833 4.020 0 40 DIAB CCc1cccnc1NCc1ccc(OC)c(Br)c1 95434273 OBWCGOZLGSEZRR-UHFFFAOYSA-N 321.218 4.027 0 40 DIAB C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)CC1=O 118934687 RVSSFXUENQNQJK-NKURYSMOSA-N 302.458 4.413 0 40 DIAB Nc1c(-c2ccc(F)cc2)c(C(F)(F)F)nn1-c1ccccc1 225179459 BZZDPYHOHSRYMY-UHFFFAOYSA-N 321.277 4.279 0 40 DIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1 225687433 MHXWDGHIWDYNKS-SFHVURJKSA-N 307.434 4.255 0 40 DIAB Cc1ccc(-c2ccc(C(=O)N3[C@H](C)CCC[C@H]3C)o2)c(N)c1 226304796 PQTQHGKFGZVVNU-ZIAGYGMSSA-N 312.413 4.240 0 40 DIAB c1ccc(-c2cnc(Nc3cccc([C@H]4CCCN4)n3)s2)cc1 585262933 FFGPJPLEZWCRMH-CQSZACIVSA-N 322.437 4.373 0 40 DIAB CC(C)(CNC(=O)c1ccc2ncsc2c1)c1ccsc1 1565519318 DQZRVXPSLXQMOE-UHFFFAOYSA-N 316.451 4.065 0 40 DIAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1 1268131 PKFPEYSHCXWTNF-UHFFFAOYSA-N 306.749 4.341 0 40 DIAB CC(=O)c1c(O)cc2c(c1O)[C@@H]1C[C@@](C)(CCC1=C(C)C)O2 1560718 WJUHGQHJASTSSZ-KZULUSFZSA-N 302.370 4.055 0 40 DIAB C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@]2(C)O 1570235 BFMZZSBHQOCQFQ-PKOFMYQESA-N 300.442 4.189 0 40 DIAB biogenic O=C(CSc1nncs1)c1ccc(-c2ccccc2)cc1 3413516 XRGWIJGLJQHCLS-UHFFFAOYSA-N 312.419 4.180 0 40 DIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(SC)c1 3548727 JLTUAEQLOCUVSF-UHFFFAOYSA-N 307.802 4.323 0 40 DIAB C[C@@H]1CC[C@@](C)(C(=O)CCOC(=O)c2ccccc2)C1(C)C 3846201 IPBDLLZTLRWMHS-KUHUBIRLSA-N 302.414 4.265 0 40 DIAB biogenic CCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O 4023091 XPZHHBKQVGOLSX-JLTOFOAXSA-N 310.441 4.368 0 40 DIAB biogenic COc1cc(C)ccc1Oc1nc2cc(C)nn2c2ccccc12 7737829 UXRZEOCRIGBGHW-UHFFFAOYSA-N 319.364 4.300 0 40 DIAB CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 10404392 BIXFGZAXAAFVSP-UHFFFAOYSA-N 303.789 4.310 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1C 10979559 JBFMJTOMUPTITA-UHFFFAOYSA-N 323.314 4.497 0 40 DIAB COCc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 12980076 ZYHIBIUQBVPJKD-UHFFFAOYSA-N 310.180 4.392 0 40 DIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc2ccccc2c1 13938906 AYICQPOVACYFKN-HNNXBMFYSA-N 319.470 4.335 0 40 DIAB Cc1ccc2nsnc2c1NC(=O)c1ccc(C(C)C)cc1 16348798 GDDSJBDIOIXLHA-UHFFFAOYSA-N 311.410 4.375 0 40 DIAB COCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 16804919 VAXXZRNBIVQFOO-HNENSFHCSA-N 310.422 4.095 0 40 DIAB Cc1nc2ccccc2n(Cc2c(Cl)cccc2Cl)c1=O 20031638 NWEXUHWAUMRDER-UHFFFAOYSA-N 319.191 4.060 0 40 DIAB Cc1cc(C)cc(CSCC(=O)NCc2ccccc2C)c1 20237916 CUGKGFWAJLHUJD-UHFFFAOYSA-N 313.466 4.161 0 40 DIAB CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1 22529562 XAIFDHCGKJARLR-SFHVURJKSA-N 313.466 4.496 0 40 DIAB CSc1ccccc1NC(=O)CSCc1ccccc1F 23410923 FWZCIQKQPKJGPC-UHFFFAOYSA-N 321.442 4.420 0 40 DIAB COc1ccc(C(=O)O)cc1COc1ccc2ccccc2c1 24549333 YFRHAERTIYQAPO-UHFFFAOYSA-N 308.333 4.126 0 40 DIAB Cc1cccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 25049997 HPISOIYKGPRWSV-UHFFFAOYSA-N 323.436 4.186 0 40 DIAB Cc1cc(NC(=O)Nc2cccc(F)c2)n(C2CCCC2)n1 32609977 KEMWRMAEEYJFHQ-UHFFFAOYSA-N 302.353 4.090 0 40 DIAB CC(C)c1nc(CC(=O)Nc2cccc3c2CCCC3)cs1 32924060 SXAVSPVZGYNUMO-UHFFFAOYSA-N 314.454 4.327 0 40 DIAB Cc1ccc2c(CN[C@H](C)c3ccccc3F)cc(=O)oc2c1 33040108 OKCDPFUJHGPYNF-CYBMUJFWSA-N 311.356 4.091 0 40 DIAB O=C(NCc1ccsc1)NC(c1ccccc1)c1ccccc1 38586774 DZBANKXQECIPHS-UHFFFAOYSA-N 322.433 4.337 0 40 DIAB COc1cccc(-c2noc(CNc3cccc(Cl)c3)n2)c1 39987675 RWSZMDCRIWCLIA-UHFFFAOYSA-N 315.760 4.011 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CCCc2ccc(F)cc21 40117183 IDYZDUMDKAXOFS-UHFFFAOYSA-N 307.727 4.211 0 40 DIAB CC(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccsc2)cs1 44940754 QNVOSQOHDPCWTJ-CQSZACIVSA-N 320.483 4.234 0 40 DIAB O=C(Nc1cccc2[nH]ccc12)c1ccc(-c2cnco2)cc1 69421210 GEQIABNYXXMJNN-UHFFFAOYSA-N 303.321 4.075 0 40 DIAB COc1ccccc1-c1c[nH]cc1C(=O)Nc1ccc(C)cc1 69486055 KUBJXRHSFBJKMY-UHFFFAOYSA-N 306.365 4.251 0 40 DIAB COCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCCC1 71801107 PLEDCILCNJUEST-UHFFFAOYSA-N 321.486 4.048 0 40 DIAB CC(C)c1nc(C[S@](=O)[C@@H](C)c2ccccc2F)cs1 89893566 JJYVPUISXUGVDJ-PRWKNARSSA-N 311.447 4.416 0 40 DIAB CCOc1cc(CO)cc(Cl)c1OCc1ccccc1C 95095028 LVPSYLJCJOPSMD-UHFFFAOYSA-N 306.789 4.118 0 40 DIAB CCCC[C@@H](CC)CN1CC(O)=C(c2nc(C)cs2)C1=N 102734186 AURZVRQJBIPUDB-GFCCVEGCSA-N 307.463 4.230 0 40 DIAB CCN[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118935690 ULMJJEKBONMJLW-BPSSIEEOSA-N 317.517 4.288 0 40 DIAB O=C(O)/C(=C/c1cccs1)Sc1nc2ccccc2o1 211503305 VEJYYWUWDVAOEL-WQLSENKSSA-N 303.364 4.107 0 40 DIAB Cc1ccc(C)c(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219275896 LWNYGGSOUFMWPS-SFHVURJKSA-N 323.436 4.265 0 40 DIAB CC(C)c1ccc(CNc2ccccc2N2CCOCC2)cc1 226240219 QYKRSSGWNGQPQI-UHFFFAOYSA-N 310.441 4.259 0 40 DIAB CC(C)Oc1ccc([C@@H]2CCC[C@H]2NC[C@H]2CCCOC2)cc1 553770360 OXGVKAREAZRYSV-LSTHTHJFSA-N 317.473 4.126 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 363168 FLNSJPYODCDGSI-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB CCOc1ccccc1-c1csc(NC(=O)C(C)(C)C)n1 1791000 JFXSBJAJJWNMQL-UHFFFAOYSA-N 304.415 4.193 0 40 DIAB CC1=CC[C@H]2CO[C@@H](c3ccc[n+](Cc4ccccc4)c3)[C@@H]1C2 2099649 TZFCVBGVAMRQAM-NRSPTQNISA-N 306.429 4.066 0 40 DIAB biogenic COc1cccc(C(=O)CCc2ccc(Br)cc2)c1 2516749 NGWVLSASVXCWON-UHFFFAOYSA-N 319.198 4.273 0 40 DIAB Cc1cccc(CSCCNC(=O)c2ccc(Cl)cc2)c1 4168007 KYFQUQVHLJHXJT-UHFFFAOYSA-N 319.857 4.312 0 40 DIAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2ccccc12 4291709 DJYWZQSUYFNGIL-UHFFFAOYSA-N 312.394 4.329 0 40 DIAB O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1ccccc1Cl 4664597 TVTBAMWCYNLAKW-YJBOKZPZSA-N 310.784 4.457 0 40 DIAB O=C(OCC(=O)c1cccc2ccccc12)c1ccc(F)cc1 4724024 COEGTMVVBHGREQ-UHFFFAOYSA-N 308.308 4.019 0 40 DIAB O=C(Cc1ccccc1Cl)Nc1ccccc1OC(F)F 5512253 UBNJCDBFKREKKW-UHFFFAOYSA-N 311.715 4.123 0 40 DIAB OCCCN[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 5517695 TYLLJBDLSGZJAU-HNNXBMFYSA-N 319.857 4.060 0 40 DIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 5556029 IVDKJYWJPRLNRW-LLVKDONJSA-N 323.364 4.407 0 40 DIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1Cl 5699130 LEBZFQFYQATXSY-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB CCOc1cc2c(cc1[C@@H](CC)c1ccc(OC)cc1)OCO2 6002075 ZJUVYVKOKUZRHE-HNNXBMFYSA-N 314.381 4.365 0 40 DIAB CC(C)Cn1c(=S)[nH]c2scc(-c3ccccc3)c2c1=O 6459379 SLFOSXHVFRUTGB-UHFFFAOYSA-N 316.451 4.444 0 40 DIAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3N)c2c1 6624244 AQDGKMPKHRHSCK-UHFFFAOYSA-N 305.333 4.405 0 40 DIAB biogenic Cc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1C 7596008 KFYIQPPBNXIDMX-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 7644693 PPMBJLJLCKITNH-YQJFHSMKSA-N 315.800 4.239 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2cccs2)C(C)C)c1C 8754966 VZVZKNWXRSZSCW-OAHLLOKOSA-N 318.442 4.023 0 40 DIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Cl)c1 11636862 BMWNRKWWRZHHSZ-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 12554306 LXFDLXGTHZJFHC-GOSISDBHSA-N 321.355 4.132 0 40 DIAB CSC(=S)n1/c(=N/c2ccccc2)sc2ccccc21 12575747 QADBXBOUARKICU-PEZBUJJGSA-N 316.476 4.431 0 40 DIAB Cc1cc(C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 12999695 CGYIWEINBIPDKQ-UHFFFAOYSA-N 321.420 4.394 0 40 DIAB COc1ccccc1CN(C)C(=O)c1oc2ccccc2c1C 14869853 ZIRWQCIQVZZYDE-UHFFFAOYSA-N 309.365 4.022 0 40 DIAB Cc1sc2ncnc(NC3CC(C)(C)NC(C)(C)C3)c2c1C 15669834 NKAXQRBJHFQTCT-UHFFFAOYSA-N 318.490 4.029 0 40 DIAB CC(C)[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)c1cccs1 32715682 BSKWABVKTYDBPF-RHSMWYFYSA-N 317.454 4.167 0 40 DIAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478246 KCCFPRJLFDVUCL-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB O=C(Nc1ccccc1Cl)[C@H](c1ccccc1)n1cccc1 56907444 ZELBWKQCKWGLCQ-KRWDZBQOSA-N 310.784 4.370 0 40 DIAB Cc1c([C@@H](C)NC(=O)c2cc(C3CC3)on2)oc2ccccc12 58475283 CAHNYOXZZGEMRX-LLVKDONJSA-N 310.353 4.098 0 40 DIAB CCOc1ccc(CNc2ccc(OC)cc2)cc1OCC 70924952 SAJWTSOJMSEVLG-UHFFFAOYSA-N 301.386 4.105 0 40 DIAB CCC(CC)N(CC(C)C)C(=O)c1cccc(NC(=O)OC)c1 72312791 CGGXHOBWIKOCPG-UHFFFAOYSA-N 320.433 4.152 0 40 DIAB CC(C)Oc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1 72331810 CVTZVWQFYZAMDM-UHFFFAOYSA-N 321.779 4.196 0 40 DIAB Cc1nc(C)c(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)o1 73933712 PJHYPZVRVONEOI-AWEZNQCLSA-N 312.413 4.295 0 40 DIAB c1cncc(COc2ccc(CNC3CCCCCC3)cc2)c1 84425099 VIGXQTZRCYFXMN-UHFFFAOYSA-N 310.441 4.473 0 40 DIAB FC(F)(F)Oc1ccc(-c2cncc(Br)c2)cc1 90411259 OBQUHFSJOHITLV-UHFFFAOYSA-N 318.092 4.410 0 40 DIAB Cc1cc([C@H](O)c2ccccc2Br)ccc1Cl 95730068 RZVNIGPEVSLIHT-AWEZNQCLSA-N 311.606 4.493 0 40 DIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999261 HYTKPAJFUFMASA-BORJPKMPSA-N 310.441 4.041 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)c(F)c1 113971266 PPOJFACPVKTKAD-INIZCTEOSA-N 319.351 4.378 0 40 DIAB Cc1ccc2oc(CCC(=O)NC(C)(C)CC(C)(C)C)nc2c1 224946536 QVEPOULKRLFJAE-UHFFFAOYSA-N 316.445 4.400 0 40 DIAB Cc1ccccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225015151 NDTSZQHAFSPWLP-SFHVURJKSA-N 312.409 4.367 0 40 DIAB Cc1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1C 225452141 ZBGJFVHHVOEINQ-SFHVURJKSA-N 309.453 4.374 0 40 DIAB C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(F)cc1 225472801 JJQXONIWOKJOEL-SECBINFHSA-N 310.344 4.152 0 40 DIAB Cc1cc(C)c(C(=O)NCCSC2CCCCC2)cc1C 225642187 GNIWALFVMCTVEM-UHFFFAOYSA-N 305.487 4.408 0 40 DIAB Cc1ccc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225647021 FFPGZHKTPGHTBM-QGZVFWFLSA-N 309.409 4.336 0 40 DIAB CCCO[C@]1(C(=O)Nc2ccc(OC)c(C)c2)CCC[C@@H](C)C1 225664809 LYSZVPDIPQWZFQ-AUUYWEPGSA-N 319.445 4.318 0 40 DIAB CCCOC1(C(=O)Nc2ccc(OCC)cc2)CCC(C)CC1 225667753 UMGMWMVYBVZSKD-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB N#CC(F)(F)c1ccc(Br)cc1C(F)(F)F 393785350 TZXSGDFTCRSKDI-UHFFFAOYSA-N 300.024 4.083 0 40 DIAB c1ccc(-c2cnc(Nc3cccc([C@@H]4CCCN4)n3)s2)cc1 585262932 FFGPJPLEZWCRMH-AWEZNQCLSA-N 322.437 4.373 0 40 DIAB Cc1ccc(C(=O)COc2ccc(Br)cc2)cc1 572080 NWSJLACRJQGDOO-UHFFFAOYSA-N 305.171 4.019 0 40 DIAB O=C(/C=C/C(=O)n1ccc2ccccc21)n1ccc2ccccc21 1692019 VBEJXJKGFDHYTH-MDZDMXLPSA-N 314.344 4.133 0 40 DIAB CCOC(=O)CCCCCC(=O)c1cccc(C(F)(F)F)c1 2580326 RICAXFIYDCACCQ-UHFFFAOYSA-N 316.319 4.402 0 40 DIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1 2745157 QAZYXABNIPWBDX-UHFFFAOYSA-N 313.303 4.136 0 40 DIAB CC[C@H](C)c1ccc([C@H](CC)NC(=S)NCCCOC)cc1 2780393 SCWOQYXJVNCEKF-YOEHRIQHSA-N 322.518 4.152 0 40 DIAB O=C(C[C@H](C(=O)O)c1cccc(Cl)c1Cl)c1ccccc1 3048603 WOFXQNKQYCNGNM-LBPRGKRZSA-N 323.175 4.435 0 40 DIAB CCCC[C@@H](CC)CNC(=O)COc1ccc(Cl)c(C)c1 3071622 ZHZKKMRBBGINCP-CQSZACIVSA-N 311.853 4.360 0 40 DIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccccc1C(F)(F)F 5694703 FHOMVDFAYKUETA-UHFFFAOYSA-N 322.311 4.067 0 40 DIAB O=C(O)/C(=C/c1ccccc1Br)c1ccccc1 6060023 AECKGOZZLFYZDE-JLHYYAGUSA-N 303.155 4.074 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(CNC3CCCC3)o2)cc1 7519774 SDNFIIRSXSEJOT-UHFFFAOYSA-N 313.397 4.156 0 40 DIAB Cc1ccc(/C=C/C(=O)NCCSCc2ccccc2)cc1 7642824 NZQGOBMLGQRNIT-VAWYXSNFSA-N 311.450 4.058 0 40 DIAB CC(C)(C)NC1=NN=C(c2ccc(Cl)cc2Cl)CS1 7850094 FMWTYZUDEBFYHZ-UHFFFAOYSA-N 316.257 4.188 0 40 DIAB CCOCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)o1 8327803 QGLWCJKETMLBIV-UHFFFAOYSA-N 313.275 4.087 0 40 DIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)c1c[nH]c2ccccc12 8723483 WXGXRANPHJZJSI-UHFFFAOYSA-N 322.383 4.154 0 40 DIAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccno1 10253952 QFAWHTVMNJZHHA-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB O=C(NCC1(c2ccccc2)CC1)Nc1nc2ccccc2s1 10258945 CYQFFAWBGKQNEY-UHFFFAOYSA-N 323.421 4.150 0 40 DIAB CCn1/c(=N\C(=O)c2cccs2)sc2cc(Cl)ccc21 12180825 JZHRIGXZOQUJTN-JQIJEIRASA-N 322.842 4.179 0 40 DIAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]2CCCC[C@@H]21 12569361 SVTFMRYDPCZBSH-PBHICJAKSA-N 310.397 4.136 0 40 DIAB COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1 13636372 JBGFMJIKWZNFNA-UHFFFAOYSA-N 320.845 4.177 0 40 DIAB COCCOc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 14646324 KLVSISGLTFPOSD-UHFFFAOYSA-N 320.776 4.009 0 40 DIAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 14669481 LKDYOAUVPVYHFN-UHFFFAOYSA-N 319.788 4.226 0 40 DIAB Cc1ccc(C(=O)CCC(=O)NC2CCCCCCC2)cc1 15613420 HKIHZAZFNLQXDY-UHFFFAOYSA-N 301.430 4.187 0 40 DIAB COc1ccc(-c2cc(Nc3cc(C)ccc3O)nc(C)n2)cc1 15859146 HHMOJYXHKZFAKG-UHFFFAOYSA-N 321.380 4.218 0 40 DIAB O=C(CCC1CCCCC1)NCC[C@@H]1CNc2ccccc21 20028033 PSFMSHZHKUVMCI-MRXNPFEDSA-N 300.446 4.063 0 40 DIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)cc1 20111354 HSJUNKJSVWDLSP-OAHLLOKOSA-N 303.789 4.445 0 40 DIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1c1ccncc1 40525630 COYMEXACZIVVPP-INIZCTEOSA-N 315.804 4.412 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccncc1 42759146 BTQWPNLYGMONRD-CQSZACIVSA-N 324.409 4.060 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N(C)C)c(C)c2)C1(C)C 58406877 KORLCIVXVZRRHX-NVXWUHKLSA-N 300.446 4.238 0 40 DIAB CC(C)CNc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72213262 FLANQMQAPSNJGZ-GOSISDBHSA-N 323.440 4.127 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cc1 72221505 QJAALYVVQQJRBY-GOSISDBHSA-N 311.381 4.169 0 40 DIAB CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 72297291 HMLODMPVOIWFJU-LSDHHAIUSA-N 318.486 4.329 0 40 DIAB O=C(NC1CC=CC1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 94040087 BGTJNAKBGBWYEM-OAHLLOKOSA-N 324.346 4.174 0 40 DIAB Cc1ccc([S@@](=O)Cc2csc(C(C)(C)C)n2)cc1C 95953340 GADXMDWAPFFJCX-HXUWFJFHSA-N 307.484 4.365 0 40 DIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 108421085 SKFGGLMDBKPZRC-WIJAJVKISA-N 315.501 4.488 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(C)cc1 113970627 ZUUATERTSRYDDD-IBGZPJMESA-N 311.425 4.086 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223207411 WBVZTJONLBNWSY-CVEARBPZSA-N 323.436 4.128 0 40 DIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1=CCCCC1 224283493 IICWDBLBZQRCJL-HNNXBMFYSA-N 309.409 4.224 0 40 DIAB Cc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1C 225033608 ISXRWQYQWOAFMB-INIZCTEOSA-N 304.773 4.032 0 40 DIAB NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 226333679 CUJMMADTEXESRM-SOFGYWHQSA-N 322.191 4.071 0 40 DIAB O=C(c1ccc(Cl)c(Cl)c1)C(F)(F)Br 306942146 SAXWUOTVQQZANY-UHFFFAOYSA-N 303.917 4.164 0 40 DIAB Cc1nc(-c2ccc(C(=O)NCc3ccccc3)cc2)c(C)s1 408580727 RJXZKQQGCWENPP-UHFFFAOYSA-N 322.433 4.357 0 40 DIAB O=C(Nc1ccc(Cl)cc1Cl)C1=Cc2ccccc2OC1 1391515 APLROQGNMZNGDV-UHFFFAOYSA-N 320.175 4.408 0 40 DIAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cncs1 1403740 MPDKTTQMJMCPIH-UHFFFAOYSA-N 303.170 4.199 0 40 DIAB COc1ccccc1OCCCCCCNCc1ccco1 3315099 CRKDJPGOAQNHJX-UHFFFAOYSA-N 303.402 4.017 0 40 DIAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CC1 4162423 WDCMTBZRLMOAME-UHFFFAOYSA-N 320.348 4.034 0 40 DIAB COCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 4699194 HYFISBDAPBYJRF-VOMDNODZSA-N 307.437 4.362 0 40 DIAB O=c1ccc(-c2cccs2)nn1Cc1cccc2ccccc12 5388086 JIWRTQMRBCKXQI-UHFFFAOYSA-N 318.401 4.173 0 40 DIAB O=C(COc1ccc2ccccc2c1)Nc1cc(F)ccc1F 6376698 DTFWHLFPTPDBTP-UHFFFAOYSA-N 313.303 4.136 0 40 DIAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1C 7263823 VMEKNEYZDIAGOC-UHFFFAOYSA-N 323.314 4.340 0 40 DIAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1F 8094993 NKNSJPOGYYHSHQ-GFCCVEGCSA-N 315.363 4.335 0 40 DIAB C[C@@H](SC1CCCC1)C(=O)Nc1ncc(Cl)cc1Cl 8206886 HGBBPNYWEGYQOH-MRVPVSSYSA-N 319.257 4.391 0 40 DIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1ccccc1 10512171 YFLOBNWVNJVZMT-UHFFFAOYSA-N 315.419 4.216 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Cc2ccncc2)cc1 11555206 CYRXBNXWVLIHDR-OTWHNJEPSA-N 320.436 4.437 0 40 DIAB Cc1cc(Cl)c(C(C)C)cc1Oc1ncnc2c1cnn2C 12917786 WYBOCBVIYXVFBE-UHFFFAOYSA-N 316.792 4.241 0 40 DIAB COc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 13932682 DHSZKBCUMDSSHZ-CQSZACIVSA-N 314.454 4.360 0 40 DIAB CCc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 14244504 KKVBJQYJJROCMR-MRXNPFEDSA-N 315.413 4.355 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841180 UHYZIQFUMNUZDJ-UHFFFAOYSA-N 311.410 4.241 0 40 DIAB C[C@@H](O)C/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 18067558 BVYUNABCYSKLSX-SPYINAPQSA-N 313.784 4.035 0 40 DIAB CCSc1nc2nc(-c3ccco3)cc(-c3ccccc3)n2n1 20635845 NUMAYNWKWPKPOA-UHFFFAOYSA-N 322.393 4.163 0 40 DIAB O=C(Nc1ccccc1Cl)N1CC[C@@H](c2ccccc2)C1 38567343 MOIKKEOQPQAHBX-CQSZACIVSA-N 300.789 4.361 0 40 DIAB CN(CC1CCCCC1)Cn1nc(-c2cccs2)[nH]c1=S 48290793 DSXUUPCXRVGXSJ-UHFFFAOYSA-N 322.503 4.139 0 40 DIAB Cc1ccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 49581359 RQTUHVICXKXNBS-UHFFFAOYSA-N 314.392 4.093 0 40 DIAB COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1Cl 51354447 RUHPXRKQUFSXNR-UHFFFAOYSA-N 312.703 4.271 0 40 DIAB CC(C)CCN(C(=O)Nc1ccccc1N1CCCC1)C1CC1 57992590 CGAUIFDUYZGRGJ-UHFFFAOYSA-N 315.461 4.329 0 40 DIAB CC(C)[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1Cl 58689554 KPPBWEROPPQVKZ-SNVBAGLBSA-N 320.285 4.387 0 40 DIAB Cc1cccnc1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 59895369 RUMOPXLGUZHDQM-UHFFFAOYSA-N 307.397 4.421 0 40 DIAB CC(C)(C)c1cc(/C=C2/SCNC2=O)cc(C(C)(C)C)c1O 83261881 BUDGLLLMROWLOB-NTEUORMPSA-N 319.470 4.149 0 40 DIAB CC[C@@H](C)C[C@H](C)NC(=O)c1sccc1Br 88301819 BPQHKMWNERHHIA-BDAKNGLRSA-N 304.253 4.065 0 40 DIAB Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)cc2)oc1C 95381746 QSJTWJQRWGNVCR-JKSUJKDBSA-N 322.364 4.294 0 40 DIAB COc1ccc(-c2nc(-c3ccccc3)c(S)[nH]2)cc1OC 100020906 JIXHGAICTGDTBZ-UHFFFAOYSA-N 312.394 4.050 0 40 DIAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(S)nnc1-c1cccs1 100887831 KRZVVHTVRHOLOK-NOOOWODRSA-N 305.472 4.293 0 40 DIAB COC(=O)/C=C(/C)Nc1ccc(Cc2ccc(Cl)cc2)cc1 104086052 HGHJEARBGSCKJD-QBFSEMIESA-N 315.800 4.420 0 40 DIAB C[C@@H](NCc1csc(-c2ccccn2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108058355 BRMCZKBPVDKMGT-HOSILWTGSA-N 313.470 4.119 0 40 DIAB CO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225608785 ZAPDVGDUUSGFPC-LJQANCHMSA-N 321.461 4.480 0 40 DIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccncc1 225661999 FUCLSBNYCJBPJB-AWEZNQCLSA-N 313.470 4.124 0 40 DIAB CC(C)(C)c1ccc(NC(=O)c2cccc3cnccc23)c(O)c1 506238051 KXXWGUHGZFDIHM-UHFFFAOYSA-N 320.392 4.490 0 40 DIAB Cn1ccc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21 669369724 HOTOGNIWVIBFLK-UHFFFAOYSA-N 314.429 4.293 0 40 DIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc(Cl)cc2)cc1 482411 ZZZUADNCXIKDGE-CYBMUJFWSA-N 316.784 4.006 0 40 DIAB OCCCC1CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1 1666344 UZQKRJMVGWBHAR-QFIPXVFZSA-N 323.480 4.455 0 40 DIAB CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccco1 2096445 FIZUPGJAHFQCFC-INIZCTEOSA-N 303.402 4.441 0 40 DIAB biogenic Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 2508432 NXMHHNNMZLCGAY-UHFFFAOYSA-N 304.180 4.428 0 40 DIAB O=C(O)CCCCCCC(=O)c1cccc(C(F)(F)F)c1 2579913 YVDLBAJVLJGXFA-UHFFFAOYSA-N 302.292 4.313 0 40 DIAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)ccc2C)cc1 3293634 TWEIMZZOZHODOG-UHFFFAOYSA-N 313.422 4.237 0 40 DIAB COc1cccc(NC(=O)c2oc3ccc(OC)cc3c2C)c1 3561762 MBSVNQXFSIMZIW-UHFFFAOYSA-N 311.337 4.011 0 40 DIAB Cc1ccc2onc(CC(=O)Nc3ccc4ccccc4c3)c2c1 4667843 WMWMAYDLHZZAKB-UHFFFAOYSA-N 316.360 4.471 0 40 DIAB CCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1 4678803 PAYKSKJTPZZDQX-UHFFFAOYSA-N 321.424 4.406 0 40 DIAB Fc1ccc2[nH]c3nc(SCC4CCCCC4)nnc3c2c1 5731255 XRAJVZZKIAHABC-UHFFFAOYSA-N 316.405 4.318 0 40 DIAB O=C(CCOc1ccccc1)Nc1ccc(N2CCCCC2)cc1 6582665 RZHPLNDFLPRNGR-UHFFFAOYSA-N 324.424 4.085 0 40 DIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cccs1 7534132 JZTXILPDNTYDJM-UHFFFAOYSA-N 319.382 4.368 0 40 DIAB Cc1c(C(=O)N[C@@H](C)c2cccs2)oc2c(F)cccc12 7779577 IXEVVTFAQWFURB-JTQLQIEISA-N 303.358 4.433 0 40 DIAB Cc1cc(C)c(NC(=O)CN(C)C2CCCCC2)c(Cl)c1 7786385 PATPCMHRBYFIEJ-UHFFFAOYSA-N 308.853 4.160 0 40 DIAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CC1 8184998 LAMIUEUPYAZZPS-LBPRGKRZSA-N 306.365 4.023 0 40 DIAB CCC[C@H](Sc1ccccc1NC(=O)C(C)(C)C)C(=O)O 8732849 WXNDVRNJFDVWSX-ZDUSSCGKSA-N 309.431 4.017 0 40 DIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CC(C)C)ccc1O2 9134878 BNYOQYSQDKBNDM-UHFFFAOYSA-N 324.380 4.338 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(NC(C)=O)c1 9364909 VCMBHMJRKGBVIR-ZDUSSCGKSA-N 310.397 4.411 0 40 DIAB CCC[C@H](NC(=O)c1cnc(C(C)(C)C)nc1)c1cccs1 12200229 DBDYSZOGUPOQBL-ZDUSSCGKSA-N 317.458 4.107 0 40 DIAB Cc1cc2c(Br)ccc(Br)c2cn1 13162885 OMWWWADGJUIZNF-UHFFFAOYSA-N 300.981 4.068 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)Cc1ccc2ccccc2c1 13170093 UMYBHEHWYKOYAL-UHFFFAOYSA-N 319.360 4.028 0 40 DIAB CCOc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1 14226836 FJPBQFMDHBYHAH-UHFFFAOYSA-N 313.378 4.287 0 40 DIAB Cc1ccc(-c2cc(Nc3ccc4c(c3)OCO4)nc(C)n2)cc1 15859137 QKOIBAZZQNGUET-UHFFFAOYSA-N 319.364 4.233 0 40 DIAB O=C(Cc1ccc2ccccc2c1)NC12CC3CC(CC(C3)C1)C2 16022433 SNXFDDOQWHSMGY-UHFFFAOYSA-N 319.448 4.467 0 40 DIAB O=C1N[C@H](c2sc3ccccc3c2Cl)Nc2ccccc21 17309212 DBOIZFBTULGUAY-OAHLLOKOSA-N 314.797 4.409 0 40 DIAB CCCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736615 KPKLSYFIVMTCST-UHFFFAOYSA-N 316.376 4.229 0 40 DIAB C[C@@H]1CCC[C@@H](N2CCN(C3C4CC5CC(C4)CC3C5)CC2)C1 19831699 IJNUPCMESUBVMN-CWQVBRBPSA-N 316.533 4.007 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)C2CCCCC2)c1 20112768 PNAQNISHAXCODS-MRXNPFEDSA-N 303.446 4.170 0 40 DIAB c1ccc(-c2nc(CN3CCc4sccc4C3)cs2)cc1 21418535 IVYLLKNHODVURY-UHFFFAOYSA-N 312.463 4.430 0 40 DIAB COc1ccc(-n2nc(Cl)nc2-c2ccc(Cl)cc2)cc1 22125905 JOSRGVJPKKALDV-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(C2CCCCC2)cc1 22335115 TWVWCBDSGCDDJT-UHFFFAOYSA-N 311.381 4.102 0 40 DIAB CC(C)(C)NC(=O)CSCc1ccc(Cl)c(Cl)c1 22530755 DPUWOJWYUZSNRQ-UHFFFAOYSA-N 306.258 4.141 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)s1 25297053 AZRBJMOAVJNAPZ-JTQLQIEISA-N 311.353 4.149 0 40 DIAB Brc1ccc(Oc2ccc(CNC3CC3)cc2)cc1 34833697 DCRPMZVFPKONPN-UHFFFAOYSA-N 318.214 4.493 0 40 DIAB C[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1cccs1 40071110 UTUOQVGVIVAFKU-DGCLKSJQSA-N 318.467 4.345 0 40 DIAB CCN(CC)[C@@H](CNC(=O)Nc1cc(C)ccc1C)CC(C)C 40095000 ZVISAEGXWYRPRT-QGZVFWFLSA-N 319.493 4.181 0 40 DIAB CC(C)c1ccc(SCC(=O)N[C@@H](C)Cc2ccco2)cc1 40120373 YOAAMCGNRCJXLF-AWEZNQCLSA-N 317.454 4.243 0 40 DIAB Cc1ccc(Oc2ccc(NC(=O)c3ccoc3)cn2)cc1C 40122683 RSHGCUGBNPQTAN-UHFFFAOYSA-N 308.337 4.336 0 40 DIAB CCOc1cccc(CNC(=S)Nc2cc(C)ccc2C)c1 44155690 MRRBCVDCWIEAOT-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCCC2)cc1 52987812 UCPIWZDIDQNYFP-GOSISDBHSA-N 301.430 4.329 0 40 DIAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1C[C@H]1c1ccco1 70014796 CDAFCLNMLYKGOO-NXEZZACHSA-N 316.407 4.207 0 40 DIAB Cc1cccc(-c2[nH]ncc2C(=O)NCCC2=CCCCC2)c1 72329101 CHJPYWSKEFPIES-UHFFFAOYSA-N 309.413 4.005 0 40 DIAB Cc1nc(CS[C@H](C)C(=O)Nc2cc(F)ccc2C)cs1 78555827 NIRVSTYVWVYNGD-SNVBAGLBSA-N 324.446 4.159 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1F)N1CC[C@@H]2CCCC[C@H]21 79538498 ONHANSWVRKTECF-GXFFZTMASA-N 315.310 4.249 0 40 DIAB Cn1c(Cl)cnc1CN(C1CC1)[C@H]1CCCc2ccccc21 84303819 JWZWLOGOZNIVHQ-INIZCTEOSA-N 315.848 4.116 0 40 DIAB CC(=O)Nc1ccc(NCc2ncc(C(C)(C)C)o2)c(Cl)c1 85276020 IMKJHEJCKFZDKO-UHFFFAOYSA-N 321.808 4.196 0 40 DIAB CC(C)[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccncc1 95399977 GVVHIGVRJVUCNO-SFHVURJKSA-N 321.424 4.040 0 40 DIAB Cc1cnc([C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)s1 95403019 RXAYWWLQLSTREV-DRZCJDIDSA-N 302.443 4.409 0 40 DIAB Cc1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 102598840 HGMFBLPKHROMTQ-BHIYHBOVSA-N 319.404 4.068 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 113945506 FPSSMWCEQYLTQI-INIZCTEOSA-N 319.404 4.232 0 40 DIAB COc1cccc(NC(=O)Nc2cc(Cl)ccc2OC)c1 170697300 WPAALUNPEQEQPF-UHFFFAOYSA-N 306.749 4.001 0 40 DIAB CCCC[C@@H](C(=O)O)N1c2c(OC)cccc2C(C)=CC1(C)C 223223832 ZWIUPQUBYOWRMO-HNNXBMFYSA-N 317.429 4.341 0 40 DIAB Cc1c(Cl)cccc1Nc1ccc(N)cc1C(=O)NC(C)C 225472735 RQSDLBAWRVSQSS-UHFFFAOYSA-N 317.820 4.112 0 40 DIAB CCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225639067 KLVOZRAVVYWQLS-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc3cccc(C)c3oc2=O)c(C)c1 226035668 FMFJFYDLTYSVBL-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB c1ccc(-c2ccc3c(c2)CCN3CCCn2ccnc2)cc1 540550605 ZYBFKJPOIPAWDW-UHFFFAOYSA-N 303.409 4.003 0 40 DIAB CCc1c(NC(=O)c2cc(C(C)C)oc2C)cnn1CC(C)C 585082070 XWUSLGTXZTXBIT-UHFFFAOYSA-N 317.433 4.379 0 40 DIAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(F)cc1 136952 ICQKWYWAZGPTCD-UHFFFAOYSA-N 324.380 4.300 0 40 DIAB Cc1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 199300 VISZWKRMRJGJSB-UHFFFAOYSA-N 300.358 4.476 0 40 DIAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1cccs1 325369 QDCLPRCOPGIYSJ-LFIBNONCSA-N 305.358 4.246 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2)cc1C 370960 UILYERDGSIJSTI-CQSZACIVSA-N 301.817 4.377 0 40 DIAB Oc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccccc1 1414060 PCJUWMIOZDQJIM-UHFFFAOYSA-N 304.271 4.264 0 40 DIAB CCn1c(SCc2cccc(F)c2)nnc1-c1cccs1 2542409 NJGARHJZZUJNQH-UHFFFAOYSA-N 319.430 4.458 0 40 DIAB COc1cc(C(=O)Nc2ccccc2C(C)C)cc(OC)c1C 3403182 FVOZHMGBRDTTCX-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB CCCCCO[P@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4026827 OBQHAFZZMZRBHR-MRUHUIDDSA-N 317.410 4.297 0 40 DIAB biogenic CCCCc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 4864220 RZSFOZHOBTVXQA-UHFFFAOYSA-N 310.422 4.391 0 40 DIAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(F)c1 5245462 INSVAXHUOYTFJK-UHFFFAOYSA-N 323.820 4.142 0 40 DIAB CC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1 5577782 IMSVGCRDQQDJOR-UHFFFAOYSA-N 304.349 4.051 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCC(=O)c1ccc(F)cc1 6602987 RKQICKHMZJFLNO-CQSZACIVSA-N 307.409 4.121 0 40 DIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C)cc2)cc1 6966259 KXFODAOZNIBEMU-ZDUSSCGKSA-N 300.427 4.051 0 40 DIAB C1=C(c2ccccc2)CCN(Cc2nnc(-c3ccccc3)o2)C1 7650874 SSKZUZMVVLCBCK-UHFFFAOYSA-N 317.392 4.026 0 40 DIAB CCOc1cc(/C=C/C(=O)Nc2cccc(C)c2)ccc1OC 8206426 VOOZYBCWMWLKPS-PKNBQFBNSA-N 311.381 4.054 0 40 DIAB C[C@H]1C[C@H](C)CN(c2nc(C(F)(F)F)nc3ccccc23)C1 8232535 GBJUIRCRZKYMLU-QWRGUYRKSA-N 309.335 4.131 0 40 DIAB O=C(CCc1nc2ccccc2s1)Nc1ccc(F)cc1 8291909 IEYFHPLVEWJORX-UHFFFAOYSA-N 300.358 4.007 0 40 DIAB CCOC(=O)c1oc2cccc(OC(=O)c3ccccc3)c2c1C 9943129 UHXZFAAMWUQDAX-UHFFFAOYSA-N 324.332 4.137 0 40 DIAB Cc1ccc(C)c(CC(=O)Nc2cccc(Br)c2)c1 10701038 JPNJYLDMLLEBHQ-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1OC 11637147 ARIWRIHDDVRBFZ-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 12553230 MZYDBBNZOOEPTB-VNKDHWASSA-N 302.374 4.328 0 40 DIAB COc1ccccc1CN(C)C(=O)Cc1ccc2ccccc2c1 12793937 UJQZSPIYGDASEV-UHFFFAOYSA-N 319.404 4.050 0 40 DIAB O=C(Nc1ccc([C@H]2CC=NO2)cc1)c1ccccc1Cl 12854879 KVZQKNFOOZGTIR-OAHLLOKOSA-N 300.745 4.040 0 40 DIAB O=C(N[C@@H]1CCOc2ccccc21)c1c(Cl)cccc1Cl 12882466 GYADSINUXPMJIR-CYBMUJFWSA-N 322.191 4.247 0 40 DIAB CC(C)c1n[nH]c(SCc2csc(-c3ccccc3)n2)n1 14162229 AGUAOEODINRNJB-UHFFFAOYSA-N 316.455 4.344 0 40 DIAB Cc1ccc(NC(=O)N(C)CCOc2cccc(Cl)c2)cc1 14196828 XRECUNODDXJSPY-UHFFFAOYSA-N 318.804 4.191 0 40 DIAB S=c1[nH]nc(CSCc2ccccc2)n1C1CCCC1 17031250 ZCEKJFYQYLANSK-UHFFFAOYSA-N 305.472 4.489 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 20451336 IXVKMOROCMYJBS-QGZVFWFLSA-N 317.360 4.021 0 40 DIAB Clc1cccc(OCc2noc(-c3ccco3)n2)c1Cl 23105051 MEOQQKXVKYLBQM-UHFFFAOYSA-N 311.124 4.215 0 40 DIAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(F)cc2)c1 26638021 IDFSLXPEYHYCMC-CQSZACIVSA-N 317.429 4.245 0 40 DIAB Cc1ccc(Cn2cc(NC(=O)Nc3cccc(C)c3)cn2)cc1 27920102 CFVJBUKJWLDDHV-UHFFFAOYSA-N 320.396 4.192 0 40 DIAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc2c3c(cccc13)CC2 28651957 FOKKVNJUDNEHHD-KBXCAEBGSA-N 322.452 4.045 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(OC)c1 30855330 GSAZBUGUNPVJSZ-MRXNPFEDSA-N 319.788 4.145 0 40 DIAB COc1ccc(CCC(=O)Nc2ccccc2OC(C)C)cc1 31775772 NGGUKSZPPRJJHI-UHFFFAOYSA-N 313.397 4.054 0 40 DIAB C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nnsc2Cl)C2CC2)o1 40088681 YLMDNBKRZMTXCV-SKDRFNHKSA-N 323.849 4.073 0 40 DIAB CN(C(=O)Nc1c(F)cccc1F)[C@@H]1CCc2ccccc21 40525884 DFMIHRIMYCJQGJ-OAHLLOKOSA-N 302.324 4.116 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1c2ccccc2C[C@H]1C 44949009 FQDGYSHMKCYAMT-UZLBHIALSA-N 323.436 4.439 0 40 DIAB Fc1ccc2nc(-c3cncc(Br)c3)sc2c1 45920112 KRRXUQFOZWYRAS-UHFFFAOYSA-N 309.163 4.260 0 40 DIAB C[C@H](NC(=O)Nc1ccccc1)c1cccc(OC(F)F)c1 45949002 IVAFNYZKGJFJDZ-NSHDSACASA-N 306.312 4.171 0 40 DIAB c1csc(-c2noc(CN3CCC[C@H]3c3ccsc3)n2)c1 46088106 AMMKOJNTMICOET-LBPRGKRZSA-N 317.439 4.197 0 40 DIAB C[C@@H](NC(=O)NC1CCC(c2ccccc2)CC1)c1ccccn1 46890021 YHDCJNUNEQNFCJ-FAEJEUNOSA-N 323.440 4.168 0 40 DIAB CC(C)Cc1noc(CN(Cc2cccc(Cl)c2)C(C)C)n1 59038129 AFDVFONPJPMDSB-UHFFFAOYSA-N 321.852 4.332 0 40 DIAB CC(C)c1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 70461299 FGIZENQXTKAAAY-UHFFFAOYSA-N 304.353 4.199 0 40 DIAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72213388 JBPWDTAUZLKHIK-ZFWWWQNUSA-N 319.449 4.364 0 40 DIAB Cc1cc(NC[C@@H](c2ccccc2)N(C)C)c2ccccc2n1 89583122 LJMUFVBIHUNYPX-FQEVSTJZSA-N 305.425 4.258 0 40 DIAB Cc1oc(C)c(C(=O)Nc2nnc(-c3ccsc3)s2)c1C 96403830 YAFYMNXOQUEUJG-UHFFFAOYSA-N 319.411 4.037 0 40 DIAB O=C(Nc1cccc(C2SCCS2)c1)[C@H]1C[C@H]2C=C[C@H]1C2 103967291 HQOHUULTNZNFPF-HUBLWGQQSA-N 317.479 4.316 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1C 113960739 HYJXMLFFGZCWBO-JXFKEZNVSA-N 323.436 4.265 0 40 DIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)cc1 225617380 OVRKVRZNEGCUMK-GOSISDBHSA-N 307.434 4.399 0 40 DIAB CC[C@@H](C)OCc1nn(C2CCCC2)cc1Br 408717282 XYKPJRXVCRIVMO-SNVBAGLBSA-N 301.228 4.076 0 40 DIAB Cc1c(O)ccc(NC(=O)c2ccc(Br)cc2)c1C 52758 YVYFDNSFPNXPBH-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB Clc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 525865 KHLDKZKIAWXOHO-JKSUJKDBSA-N 310.788 4.078 0 40 DIAB C[C@@H]1CCCc2sc3ncn4nc(-c5ccco5)nc4c3c21 2437408 JNYMBOKKOSOUPQ-SECBINFHSA-N 310.382 4.039 0 40 DIAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 4017564 DQQFTCPKQZUTTA-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB Cc1c(OCc2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 4038773 TYMQFZLBURZFTO-UHFFFAOYSA-N 324.351 4.308 0 40 DIAB O[C@@H]1CCCc2c1nc1ccccc1c2NCc1ccccc1 4293813 OWMPJXBRNFEZDD-GOSISDBHSA-N 304.393 4.217 0 40 DIAB Cc1cc(C)c2sc(NC(=O)c3ccc(F)cc3)nc2c1 4330849 XWNMXXVCGOLHJM-UHFFFAOYSA-N 300.358 4.305 0 40 DIAB CC1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 6634544 BGHMQHLQOZHINF-UHFFFAOYSA-N 303.789 4.472 0 40 DIAB O=C(CN1CCCCCC1)Nc1ccccc1Oc1ccccc1 6638447 OOTPNJLQHSSVBC-UHFFFAOYSA-N 324.424 4.293 0 40 DIAB Cc1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)s1 6767537 LRBYHMIIGGKLFD-UHFFFAOYSA-N 315.442 4.003 0 40 DIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(C)C)c1 7056171 KBUMHZIEKRKHPP-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB COc1ccccc1OCCC(=O)Nc1ccc(C)cc1Cl 7061924 BOQKXFCATQAXGO-UHFFFAOYSA-N 319.788 4.065 0 40 DIAB CC(C)[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccc1 10466144 BINFPTDTZYRHBK-SFHVURJKSA-N 314.404 4.065 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1Cl 11427456 AQWNTBJTMUUIAG-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB CCc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1 12672780 HMSGZGIKWSXIPJ-MGPUTAFESA-N 322.452 4.317 0 40 DIAB Cc1nc2ccc(NC(=O)CCc3ccsc3)cc2s1 14108540 DSMLBMNKISTQQD-UHFFFAOYSA-N 302.424 4.238 0 40 DIAB Cc1ccc(-c2noc(COC(=O)c3ccc(C)c(C)c3)n2)cc1 15186817 BSRCVSJOVIXRQA-UHFFFAOYSA-N 322.364 4.019 0 40 DIAB O=C(/C=C/c1ccccc1)N[C@H]1CCSc2ccc(F)cc21 15198965 SIRNHDSMAWBMNH-FSNWXROXSA-N 313.397 4.192 0 40 DIAB Ic1cccc(-c2nc3ccccc3o2)c1 16545332 YBHMHDJXHAEFFV-UHFFFAOYSA-N 321.117 4.099 0 40 DIAB Cc1ccccc1OCCN1C(=O)c2cccc3cccc1c23 22348650 AVOWGUCRRDWZDS-UHFFFAOYSA-N 303.361 4.187 0 40 DIAB CCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OC 29632455 DDXWYYDDFSRTGV-UHFFFAOYSA-N 319.445 4.074 0 40 DIAB O=C(CC1CCCCC1)NCc1ccnc(Oc2ccccc2)c1 32930557 CCCMDINFKYRSPM-UHFFFAOYSA-N 324.424 4.461 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1cccs1 44315247 HXRTVNCBFSQNAR-OLZOCXBDSA-N 305.468 4.247 0 40 DIAB CCc1cccc(C)c1NC(=O)Cn1cc(-c2ccccc2)cn1 67711824 FOZTZFIYXYTUHP-UHFFFAOYSA-N 319.408 4.060 0 40 DIAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(F)c(F)c1F 71279778 TWNNLFHWNGJHQY-SECBINFHSA-N 309.291 4.005 0 40 DIAB CCCCC[C@@H]1O[C@@H]1C[C@@H]1O[C@H]1CCCCCCCC(=O)O 71758198 LAIUZQCFIABNDP-NXOAAHMSSA-N 312.450 4.307 0 40 DIAB in-vitro CC[C@@H](CNCc1c(C(C)C)nn(C)c1Cl)c1ccccc1 71809763 ZJFGNYCUGGYHFM-AWEZNQCLSA-N 319.880 4.480 0 40 DIAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2ccsc2)CC1 75157119 SOZWDVLZPXYDHE-UHFFFAOYSA-N 319.857 4.350 0 40 DIAB COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302321 IDFSOCUPRSHPDU-HMSSEDMDSA-N 300.442 4.158 0 40 DIAB in-vitro O=C(Nc1ccc(-n2cccc2)cc1)c1cccc2[nH]ccc12 79474026 LIQVLOOEUZTXHE-UHFFFAOYSA-N 301.349 4.211 0 40 DIAB C[C@@H](NCc1ccnc2[nH]ccc12)c1cccc(C(F)(F)F)c1 95462176 JIMVJPQTKVRBHG-LLVKDONJSA-N 319.330 4.433 0 40 DIAB O=C(c1cccc(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 95916610 XTCPHCNDAKAAKR-UHFFFAOYSA-N 306.617 4.267 0 40 DIAB C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccc2ccccc2n1 95967677 GOKCWFVCCZJLHQ-GJZGRUSLSA-N 306.409 4.222 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC)cc2)cc1 113968888 MWOFKKYCBHZLEO-GOSISDBHSA-N 313.397 4.054 0 40 DIAB C[C@@H](Cc1ccoc1)NC(=O)Nc1ccc(C(F)(F)F)cc1 206665019 WDVPMGFJTGJIDG-JTQLQIEISA-N 312.291 4.051 0 40 DIAB Cc1cccc(CSCC(=O)N2CCCc3ccccc32)c1 222740286 RHPLBFGJUSTCQL-UHFFFAOYSA-N 311.450 4.208 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C)cc1Cl 225007614 UJWOJJRETDJDJU-LBPRGKRZSA-N 303.789 4.148 0 40 DIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C1 226304559 IKCBQDYQWPBVIK-LLVKDONJSA-N 318.804 4.054 0 40 DIAB CCCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226352748 FUGKJOINDOJQAO-UHFFFAOYSA-N 301.342 4.164 0 40 DIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=C[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 253492615 QMCLGDBCODWMRX-WDBHGICGSA-N 316.441 4.060 0 40 DIAB CC1(C)C(=O)CC[C@@H]2C1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 254048495 YSDQCJCKZSSBFR-SYQYGTRUSA-N 302.458 4.125 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3C)N21 260788416 ZYDSTRKZULHDRE-OLMNPRSZSA-N 323.465 4.369 0 40 DIAB CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409120208 VWFJCAKNHQMPAW-VBKFSLOCSA-N 323.392 4.001 0 40 DIAB Cc1ccccc1NC(=O)Nc1ccc(-c2ccncc2)nc1 575615891 IZBPNQUXQQBACW-UHFFFAOYSA-N 304.353 4.096 0 40 DIAB CC1(C)C[C@@H]2CN(C3CCCC3)CC[C@@H]2N1c1cccc(F)c1 1615129871 XDOGWNUHBGCHPK-BEFAXECRSA-N 316.464 4.448 0 40 DIAB Cc1cccc2sc(N3CCCC[C@@H]3c3cnn(C)c3)nc12 1775974472 HBIAICLHYQJHTR-CQSZACIVSA-N 312.442 4.070 0 40 DIAB C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881347 WRWBCPJQPDHXTJ-OWLVHUDESA-N 304.474 4.061 0 40 DIAB CCC[C@H](C(=O)OCCN1C[C@H](C)CC1(C)C)C1CCCC1 4411185 SDCSZRGNRKNQRO-WBVHZDCISA-N 309.494 4.257 0 40 DIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc3ccccc3o1)C2=O 5705998 ZRDLWQKYARPLAE-VMDBXTETSA-N 301.411 4.314 0 40 DIAB COc1ccc(C)cc1NC(=O)CS[C@H](C)c1ccccc1 7211314 VMTKCLMHAQJQDP-CQSZACIVSA-N 315.438 4.437 0 40 DIAB Cc1ccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 9577436 CVLZUNDMPSAWDB-CYBMUJFWSA-N 302.805 4.209 0 40 DIAB Cc1nc(SCc2ccccn2)c2c3c(sc2n1)CCC3 10396077 OXUVYBDYQKFPCU-UHFFFAOYSA-N 313.451 4.176 0 40 DIAB O=C1N[C@H](c2ccc(SC(F)(F)F)cc2)Nc2ccccc21 12526508 ONQJSTCKYLJCLS-CYBMUJFWSA-N 324.327 4.153 0 40 DIAB C[C@@H](NC(=O)c1sccc1-c1ccccc1)c1ccncc1 12532695 FUXXVAATKLQCRY-CYBMUJFWSA-N 308.406 4.301 0 40 DIAB CC[C@H](C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12920584 GPBRNUHWDZRBPM-HCJULVCFSA-N 319.448 4.446 0 40 DIAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1 13057379 RBNAOZYPNBEVOX-LBPRGKRZSA-N 318.804 4.096 0 40 DIAB CCOc1cccc(Oc2ccc(Br)cc2N)c1 14631053 YMWCZXMSUBGIBS-UHFFFAOYSA-N 308.175 4.222 0 40 DIAB CCCCCCOc1ccc(C(=O)Nc2cccc(N)c2)cc1 19736017 KDFFIXVNJYPGKF-UHFFFAOYSA-N 312.413 4.480 0 40 DIAB Clc1ccc(CNCc2ccc3c(c2)OCCO3)c(Cl)c1 21519254 BZSZFHJPMWJFAZ-UHFFFAOYSA-N 324.207 4.054 0 40 DIAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1 21595438 PVWSVIAJPHEJHU-UHFFFAOYSA-N 315.413 4.051 0 40 DIAB O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]2CCCC[C@H]21 25248035 UXZAFDOLHQOKQD-GXFFZTMASA-N 313.228 4.183 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1 30856051 HWNMMZUGKRLWLJ-QGZVFWFLSA-N 301.361 4.239 0 40 DIAB Oc1ccc([C@@H](Cc2ccccc2)NCc2ccccc2)cc1 31962204 HBHRPCSKQCIYPB-OAQYLSRUSA-N 303.405 4.466 0 40 DIAB c1cc(-c2nc(CN3CCO[C@@H]4CCCC[C@@H]43)cs2)cs1 48299895 UZWOKAXXOLPCNF-LSDHHAIUSA-N 320.483 4.015 0 40 DIAB CCN(C(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1C 73982012 RPXYOAPQWFESIY-UHFFFAOYSA-N 322.452 4.258 0 40 DIAB CSCCc1ccc(NCc2ccc(NC(C)=O)cc2)cc1 95429010 UPLHYRHPAWKDTE-UHFFFAOYSA-N 314.454 4.163 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1 195559874 KDXPRDVRXSGOII-DOHHPOSVSA-N 315.457 4.093 0 40 DIAB S=C(NCCCSCc1ccccc1)Nc1ccccc1 225595617 WKXIJBGGEFELNA-UHFFFAOYSA-N 316.495 4.297 0 40 DIAB O=C(NCCCC(F)(F)F)Nc1c(F)cc(Cl)cc1F 271727917 RNXDXXDZGZRYBN-UHFFFAOYSA-N 316.657 4.082 0 40 DIAB Cc1c(NC(=O)c2cc(F)cc3ccoc23)cccc1N(C)C 1520154956 AOYUPKBMTMTPKX-UHFFFAOYSA-N 312.344 4.199 0 40 DIAB COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 387061 RVQMVEPGDWZXKC-UHFFFAOYSA-N 324.405 4.379 0 40 DIAB CSc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 413644 ILKRIHZYWJLMOL-UHFFFAOYSA-N 318.471 4.063 0 40 DIAB CCc1cc(=O)oc2cc(C)cc(OCc3ccccc3OC)c12 488636 ZBACGFQSUSCJQH-UHFFFAOYSA-N 324.376 4.251 0 40 DIAB biogenic COC(=O)c1scc(-c2ccc(Cl)c(Cl)c2)c1N 2528729 QMCWIUGXMAKKBX-UHFFFAOYSA-N 302.182 4.091 0 40 DIAB CC(C)c1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 2694338 MXLQQVUOBRCPCA-INIZCTEOSA-N 321.505 4.354 0 40 DIAB Sc1nnc(SCc2c(Cl)cccc2Cl)s1 3426814 LIJIYFUJPCLRFW-UHFFFAOYSA-N 309.268 4.426 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1cc(Cl)ccc1Cl 3572873 YPNKCPHIOSJVAY-ZWNOBZJWSA-N 316.228 4.067 0 40 DIAB CC[C@@H](C)c1ccccc1OC[C@H](O)CNC(C)(C)C(C)(C)C 4264056 IQGBZGOVPLFYRK-HZPDHXFCSA-N 321.505 4.354 0 40 DIAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1F 4820471 VUYVCBUFLPPFJI-UHFFFAOYSA-N 319.204 4.375 0 40 DIAB O=c1[nH]c(-c2ccccc2)nc2scc(-c3cccs3)c12 5265084 JDLLTCCBGZUBIR-UHFFFAOYSA-N 310.403 4.380 0 40 DIAB COc1ccccc1[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1 5510756 GSJFLQIJOCGBPQ-NSHDSACASA-N 323.314 4.205 0 40 DIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)cc(F)c1 6923139 AJOPTLGQCLTUQX-UHFFFAOYSA-N 316.351 4.207 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 7264849 IIAQLZOSQFNRPU-CYBMUJFWSA-N 301.411 4.123 0 40 DIAB CC[C@H](C)NCc1ccc(OCCc2ccccc2)c(OC)c1 7540105 XBOACPYBXFRDJF-INIZCTEOSA-N 313.441 4.205 0 40 DIAB CC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)cc1C 7547615 CTTJIBHXEKHLJS-SFHVURJKSA-N 324.424 4.176 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)c1ncc(-c2ccc(F)cc2)o1 9321857 JZDVFCIZOZZYIR-LBPRGKRZSA-N 322.339 4.072 0 40 DIAB CCc1ccc(C2=NN=C(Nc3ccccc3F)SC2)s1 11116684 WCVMEOHYRVGAKN-UHFFFAOYSA-N 319.430 4.369 0 40 DIAB Cc1ccc(C(=O)NCCCn2ccc3ccccc32)c(C)c1 12554058 OLVBELVDHBIEHU-UHFFFAOYSA-N 306.409 4.078 0 40 DIAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCC2CCCCC2)c1 12578122 DGCIFZXMVUNLLZ-ZDUSSCGKSA-N 309.837 4.112 0 40 DIAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F 12787575 FOUAWMLHGCTKHQ-OBIHZWKSSA-N 303.764 4.370 0 40 DIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1 14219608 SXIYKKYQUSQFII-QGZVFWFLSA-N 317.454 4.041 0 40 DIAB O=C(/C=C/c1ccccc1)n1nnc2cc(Cl)c(Cl)cc21 17107449 PDURQTMDEIKOGS-VOTSOKGWSA-N 318.163 4.092 0 40 DIAB C/C=C\[S@@](=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 17379557 MERGGXKGUHOUGN-PYRHIJQMSA-N 319.451 4.078 0 40 DIAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c1 20671856 ASFKUKRLMKXLPQ-UHFFFAOYSA-N 317.392 4.443 0 40 DIAB Fc1ccc(-n2nc(-c3ccccc3Cl)nc2Cl)cc1 22125432 DXQAHZJNALLEBT-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB O=C(c1ccco1)N1CCCC[C@H]1c1nc2ccccc2s1 24383630 JOWSMZKGYKIOFS-ZDUSSCGKSA-N 312.394 4.257 0 40 DIAB CC(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 40104044 KSIBNGBPMGKQIL-JTQLQIEISA-N 322.409 4.026 0 40 DIAB c1ccc([C@H](Nc2nc3ccccc3o2)c2ccccn2)cc1 51281831 AAZDQWDFOHJPTG-SFHVURJKSA-N 301.349 4.424 0 40 DIAB COC(=O)N(C)c1ccc(N[C@H](C)c2ccccc2F)cc1 71902586 SQSMIKLIBSHGLQ-GFCCVEGCSA-N 302.349 4.201 0 40 DIAB CC[C@@H](C)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 72040842 NWOFLOWSIPYMFD-GFCCVEGCSA-N 309.841 4.250 0 40 DIAB Cc1ccccc1CN(Cc1ccccc1C)C[C@@H]1CCCNC1 72204001 ZAUGVVOWBOGFRT-HXUWFJFHSA-N 322.496 4.305 0 40 DIAB CCCCN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214323 YJHDZVGZRJEOCJ-OAHLLOKOSA-N 319.449 4.366 0 40 DIAB Cc1ccc(Oc2ccc(C(=O)Nc3ncc(C)s3)o2)cc1 72260100 DEECEELFUIUUOP-UHFFFAOYSA-N 314.366 4.398 0 40 DIAB CCSc1cc(C(=O)NC(CC)(CC)C(F)(F)F)ccn1 72306384 CZUSQAKLYDFSHM-UHFFFAOYSA-N 320.380 4.045 0 40 DIAB c1ccc2oc(CCSCCc3nc4ccccc4o3)nc2c1 96306252 IGHYAZKGHBJRDO-UHFFFAOYSA-N 324.405 4.487 0 40 DIAB CC[C@H](C)Oc1cccc(NC(=O)N2CC[C@H](CSC)C2)c1 96418014 HDMZHXMDMZJHTA-KBPBESRZSA-N 322.474 4.081 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219042028 RZLFPRZUXAKOIC-INIZCTEOSA-N 319.404 4.232 0 40 DIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccccc1 222976181 OUBZGTMBOPPFLV-LPHOPBHVSA-N 311.425 4.338 0 40 DIAB Cc1ccc(Cc2nnc(SCc3ccccc3C)[nH]2)cc1 226299501 YVOVCANDNFJPNO-UHFFFAOYSA-N 309.438 4.305 0 40 DIAB COc1ccc(N)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250521 YRSVFCSBKQDDPR-UHFFFAOYSA-N 319.229 4.367 0 40 DIAB CCc1ncnc(NCC(c2ccccc2)c2ccccc2)c1F 1559051418 ZGKNCVIRVICOCP-UHFFFAOYSA-N 321.399 4.422 0 40 DIAB CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008533 JWCINLFZDHPDCA-ROUUACIJSA-N 311.425 4.189 0 40 DIAB Cn1cc(CN2CCC[C@@H](c3nccs3)C2)c2ccccc21 2037845969 OZWXQCUQTALERI-CQSZACIVSA-N 311.454 4.014 0 40 DIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)C 110840 RBTUZIQJRAHBNE-UHFFFAOYSA-N 313.184 4.095 0 40 DIAB c1ccc(COc2nc(-c3ccncc3)nc3ccccc23)cc1 509356 BNDLNCNTFJKNQD-UHFFFAOYSA-N 313.360 4.271 0 40 DIAB CCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 537566 NVHQGIJQMDDTHJ-UHFFFAOYSA-N 306.344 4.196 0 40 DIAB CCC[C@@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@H](CC)C3 1459233 HZIQAMGZUWSPHP-XHDPSFHLSA-N 318.486 4.419 0 40 DIAB O=Cc1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 5307515 QTLQUSMHXRSPJG-UHFFFAOYSA-N 302.692 4.027 0 40 DIAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 5559490 JWGRLMQJLPUPSH-UHFFFAOYSA-N 317.772 4.158 0 40 DIAB Cc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1 5620324 HPTJGEXDHYRHGY-DHZHZOJOSA-N 316.198 4.409 0 40 DIAB CCOC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 6401884 CDKQNGIWVZDPFV-KPZWWZAWSA-N 300.402 4.036 0 40 DIAB S=C(NCCSc1ccccc1)Nc1ccc(Cl)cc1 8150211 DJSYLOHBLUONTO-UHFFFAOYSA-N 322.886 4.419 0 40 DIAB CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(O)cc3)n2)c1C 8297563 WCECKXLOKQUCKD-UHFFFAOYSA-N 312.394 4.330 0 40 DIAB Cc1cc(C(=O)Nc2ccc(C)c(C)c2)c2cnn(C(C)C)c2n1 10808782 YEJYDIHRIOMCCW-UHFFFAOYSA-N 322.412 4.190 0 40 DIAB CCc1ccccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 11693141 ZOOCLNWFAIHFPQ-UHFFFAOYSA-N 324.355 4.224 0 40 DIAB COc1cc(Cl)ccc1NCc1ccc(O)c2ncccc12 12418979 DDNKRWIFMGFGGQ-UHFFFAOYSA-N 314.772 4.215 0 40 DIAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(F)c1 12782936 XRFZQJWICDVXHI-UHFFFAOYSA-N 314.385 4.397 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 13391074 UJGUFKHMBBSKKS-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB O=C(NCCSc1ccccc1)Nc1ccc(Cl)cc1 14154883 XSCBDLZBMPLOQX-UHFFFAOYSA-N 306.818 4.254 0 40 DIAB O=C(Nc1cccnc1)c1ccc(C2SCCCS2)cc1 18106368 VPQLNQOUXZREKT-UHFFFAOYSA-N 316.451 4.203 0 40 DIAB c1csc(-c2noc([C@@H]3CCN(CC4CCCCC4)C3)n2)c1 19344658 YTWIZIATQNEQDN-CQSZACIVSA-N 317.458 4.168 0 40 DIAB CCCCc1ccc(NC(=O)COc2ccc(F)cc2)cc1 19935076 FBQWBVJKJXLOAW-UHFFFAOYSA-N 301.361 4.186 0 40 DIAB CCOc1c(Cl)cc(CNCCc2ccccc2)cc1OC 22074371 KQDOOTASKNUYOD-UHFFFAOYSA-N 319.832 4.080 0 40 DIAB Cc1cc2ncn(Cc3coc(-c4cccs4)n3)c2cc1C 22818041 AMYLEGWEJATVEN-UHFFFAOYSA-N 309.394 4.418 0 40 DIAB Cc1cc(C(=O)NCC2CCCC2)c(C)n1Cc1ccccc1 33054786 RUDRPXBWHJUGSG-UHFFFAOYSA-N 310.441 4.073 0 40 DIAB CCN(C(=O)c1ccc(Br)o1)c1cc(C)cc(C)c1 62582555 DJPRZWHJNBCTDH-UHFFFAOYSA-N 322.202 4.326 0 40 DIAB O=C(CCc1ccc(Cl)s1)N1CCC[C@@H]1c1ccc[nH]1 71818794 FXPRTHILCYRFBX-CYBMUJFWSA-N 308.834 4.026 0 40 DIAB CC(C)N1CCCC[C@@H]1c1cccnc1N1CCCCCC1 72216722 LOAPWGDINOWBKU-GOSISDBHSA-N 301.478 4.397 0 40 DIAB FC(F)(F)C(F)(F)COc1cccc(Br)c1 72265780 STQDZDBRZWABBB-UHFFFAOYSA-N 305.040 4.026 0 40 DIAB CC(C)Oc1c(Cl)cccc1NC(=O)Nc1cccnc1 72287967 IJBGJEYCIHWNRE-UHFFFAOYSA-N 305.765 4.166 0 40 DIAB Cc1csc(-c2ccc(C(=O)N3C[C@@H](C)CC[C@H]3C)cc2)n1 75291899 CYLCTUWRYSWWFB-GXTWGEPZSA-N 314.454 4.379 0 40 DIAB Cc1cc([C@@H](NCc2cc(C(N)=O)cs2)C(C)C)c(C)s1 95427542 FHOHLPDCKBOYEF-HNNXBMFYSA-N 322.499 4.012 0 40 DIAB CC/C(=C\C(=O)NCc1cccc(COC)c1)c1ccc(C)cc1 96035179 ZDSBNEKDCAAIHY-CPNJWEJPSA-N 323.436 4.251 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 100740767 WLQOPAUMPGYQCV-QLCXLMDBSA-N 323.477 4.156 0 40 DIAB biogenic CCN(Cc1ccccc1)C1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100871109 FIKCKIVWJDRGEG-SFHLNBCPSA-N 312.501 4.162 0 40 DIAB O=c1oc2ccccc2cc1-c1ccc(F)cc1Br 216939484 LVDMNCYDDMPGQF-UHFFFAOYSA-N 319.129 4.362 0 40 DIAB COc1ccc(O[C@@H](C)c2nc(-c3ccc(C)cc3)no2)cc1 514488 FKNAMRRWWCGHPX-ZDUSSCGKSA-N 310.353 4.194 0 40 DIAB COc1ccc(CNCc2ccco2)cc1OCc1ccccc1 810252 QWAJCCHUZOIAQE-UHFFFAOYSA-N 323.392 4.157 0 40 DIAB CCC[C@@H]1Nc2sc3c(c2C(=O)N1C1CC1)CC[C@@H](CC)C3 1459235 HZIQAMGZUWSPHP-IAQYHMDHSA-N 318.486 4.419 0 40 DIAB O[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1c1ccccc1 1709786 VYLAGGWLWLRSRY-CCDCCJRHSA-N 301.389 4.350 0 40 DIAB COCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 1916725 GIHFEVYFQXRJHY-CAPFRKAQSA-N 313.784 4.300 0 40 DIAB CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1CCCC 1927002 QIPPZIORWVMEBJ-MRXNPFEDSA-N 301.434 4.204 0 40 DIAB CCCSc1nc2ccccc2c(=O)n1C1CCCCC1 2315520 FJOJFIKENRCJLH-UHFFFAOYSA-N 302.443 4.404 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)C1(c2ccccc2)CCCC1 2512648 XTWAUKACKACWMJ-UHFFFAOYSA-N 301.336 4.415 0 40 DIAB Cc1cnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 2765352 VXTHDWOJHYLFGJ-UHFFFAOYSA-N 308.406 4.222 0 40 DIAB Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)o1 3349298 RBDCNEZZOKXQKX-UHFFFAOYSA-N 320.320 4.242 0 40 DIAB CCSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C 3430177 TUBPNJQEOLJALK-UHFFFAOYSA-N 310.426 4.058 0 40 DIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)ccc1Cl 3443788 RYIWRWYIEFTLRQ-GFCCVEGCSA-N 321.779 4.044 0 40 DIAB Cc1ccccc1C(=O)Cc1ccccc1C(=O)OC(C)(C)C 3848038 PBWQVRILXCBCTG-UHFFFAOYSA-N 310.393 4.376 0 40 DIAB biogenic CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4545455 QACCXXVGDSLICR-XPTSAGLGSA-N 302.399 4.285 0 40 DIAB Sc1nnc(-c2csc3c2CCCC3)n1-c1ccccc1 4749389 GDDXIDBQLGUFJG-UHFFFAOYSA-N 313.451 4.163 0 40 DIAB CSc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1 5676667 PEMHLWUOXBBWSG-RUDMXATFSA-N 305.349 4.339 0 40 DIAB O=C(Nc1nc2ccccc2s1)N1CC[C@@H](c2ccccc2)C1 6252422 QMPHZYMYGOXJQH-CQSZACIVSA-N 323.421 4.318 0 40 DIAB CCCCOc1ccc(C(=S)N2CCCCC2)cc1OC 6651745 HTMIZBGGACHEPR-UHFFFAOYSA-N 307.459 4.036 0 40 DIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Cl)c1 8497415 DJAKVMJDNHDCSL-AWEZNQCLSA-N 319.788 4.145 0 40 DIAB Cc1ccc2oc(C(=O)Nc3cc(Cl)ccc3C)cc2n1 8798710 LVRSKLYZLDMCRV-UHFFFAOYSA-N 300.745 4.350 0 40 DIAB Cc1[nH]c2ccc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)cc2c1C 9548509 NCMJKHWOUKMNNC-WBVHZDCISA-N 310.441 4.437 0 40 DIAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C)c(F)c1)C2 11428812 PVLBMOJGZZHROG-INIZCTEOSA-N 301.386 4.098 0 40 DIAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 11636903 CHIJBSAIBIBAOS-SFHVURJKSA-N 313.397 4.054 0 40 DIAB CCCC(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233009 ZJXUBKOVOHKHAW-UHFFFAOYSA-N 313.382 4.204 0 40 DIAB Cc1cc(F)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 12770105 CQVJANXYHYNCRF-NSHDSACASA-N 307.752 4.194 0 40 DIAB CC(C)c1ccc(CSc2nc3ccccc3c(=O)n2C)cc1 12821374 LDSCZYGCWXXWND-UHFFFAOYSA-N 324.449 4.349 0 40 DIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccc(F)c1 12855096 CPHJZLXIIXXXGN-MRXNPFEDSA-N 303.764 4.360 0 40 DIAB CCc1ccc([C@@H](CNc2nc3ccccc3o2)N(C)C)cc1 12973135 UPPZUYFBQORQTJ-QGZVFWFLSA-N 309.413 4.105 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccsc1 13698122 CUTAWXJFUUBDPV-UHFFFAOYSA-N 307.418 4.274 0 40 DIAB Cc1cc(OCC(=O)N2CCc3ccccc3C2)ccc1C(C)C 14162999 PBHNQMLVXRFQPN-UHFFFAOYSA-N 323.436 4.082 0 40 DIAB CC[C@H](C)N(C(=O)c1ccncc1)c1nc2ccccc2s1 14253622 CUEFDAGVPKOCOZ-LBPRGKRZSA-N 311.410 4.137 0 40 DIAB Cc1ccccc1-c1cc(O)n(-c2nc3ccccc3s2)n1 14607815 WKEVDGQGVIXNGX-UHFFFAOYSA-N 307.378 4.163 0 40 DIAB Cc1ccccc1OS(=O)(=O)c1cc(Cl)ccc1Cl 16089856 HXSBHSOLGFSGIT-UHFFFAOYSA-N 317.193 4.070 0 40 DIAB CN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 19881199 ZVZVEHMDFMEUMI-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB CCCCCCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20136708 PUWKUIOXCUIKEQ-UHFFFAOYSA-N 301.386 4.348 0 40 DIAB O=C(CSc1ccccc1)Nc1nc2c(s1)CCCCC2 21902082 FNQAEBYHGQVLGN-UHFFFAOYSA-N 318.467 4.143 0 40 DIAB CN1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 22036254 ATBWRPNTOXXOBL-OALUTQOASA-N 314.860 4.113 0 40 DIAB Cc1cccc(NC(=O)NCc2csc(-c3ccccc3)n2)c1 23055363 YZCIBGNQIGHGFL-UHFFFAOYSA-N 323.421 4.440 0 40 DIAB O=C(NCc1cccs1)c1ccc(-c2ccccc2F)o1 24983943 IIFFPNQLDJUGLN-UHFFFAOYSA-N 301.342 4.077 0 40 DIAB COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2C)cc1 24984022 LZVNZNXDCLTJED-HNNXBMFYSA-N 321.424 4.245 0 40 DIAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 38833515 SCFSGVCFQDFUKE-IBGZPJMESA-N 322.452 4.154 0 40 DIAB Cc1cc(C)c2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 45887818 LNVFQHPTWWSZDN-UHFFFAOYSA-N 324.771 4.346 0 40 DIAB COc1cc(C)c(NC(=O)N(CCC(C)C)C2CC2)cc1OC 48332798 VWCJKQOXUHIWQD-UHFFFAOYSA-N 320.433 4.055 0 40 DIAB FC(F)(F)c1cccc(-c2csc(-c3cnccn3)n2)c1 48355386 LXZHRMUUWPVDEB-UHFFFAOYSA-N 307.300 4.286 0 40 DIAB CC(=O)N1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217234 SEEQRGYIVRHODL-MRXNPFEDSA-N 304.459 4.190 0 40 DIAB CC(C)c1ccc(S(=O)(=O)Cc2ncc(C(C)(C)C)o2)cc1 75109668 XDVVUVOIXVRDKZ-UHFFFAOYSA-N 321.442 4.069 0 40 DIAB c1coc(-c2nnc(CN3CCCCC[C@H]3c3ccco3)o2)c1 77177040 YMTSXKDVXQRANM-ZDUSSCGKSA-N 313.357 4.040 0 40 DIAB C[C@H](CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccncc1 79092700 YSVPQHZYNCGEPO-MRXNPFEDSA-N 323.440 4.204 0 40 DIAB Fc1cc(Cl)cc(Br)c1OC(F)(F)Cl 95215454 CSBKACKZPIKLAS-UHFFFAOYSA-N 309.896 4.410 0 40 DIAB CC(=O)c1ccc(C(F)(F)F)cc1NC(=O)OC(C)(C)C 199831477 UJNMXJUIWMSAHX-UHFFFAOYSA-N 303.280 4.255 0 40 DIAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)c(C)c1 224936702 IKNDKFZCCRFNMA-UHFFFAOYSA-N 308.425 4.085 0 40 DIAB Cc1ccc(S[C@@H](Cc2ccccc2Cl)C(=O)O)cc1 225057341 GFJRGOAKLAPTSY-HNNXBMFYSA-N 306.814 4.436 0 40 DIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 257270892 MWBDPCPEFHFJHZ-GOSISDBHSA-N 322.452 4.419 0 40 DIAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)cc1 408526848 BWGNAJRGYVGZEF-UHFFFAOYSA-N 324.767 4.325 0 40 DIAB c1cc2c(-c3noc([C@@H]4C[C@@H]4C4CCCCC4)n3)cc[nH]c-2n1 569191261 UWJLQLXXWPFZDP-HUUCEWRRSA-N 308.385 4.248 0 40 DIAB CCOC(=O)CCCC(=O)c1cc(Cl)cc(F)c1Cl 575360613 NEBHROAJJDXYQO-UHFFFAOYSA-N 307.148 4.049 0 40 DIAB O[C@@H](c1cc(C(F)(F)F)ccc1Br)C(F)(F)F 1857793196 FCJGTSIIYYBMOV-ZETCQYMHSA-N 323.030 4.064 0 40 DIAB CCOC(=O)c1c(NC(C)=O)sc(CC)c1-c1ccccc1 333875 LSQBNNCZWSDEEU-UHFFFAOYSA-N 317.410 4.113 0 40 DIAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 347671 GDKQIWUTAZIASG-UHFFFAOYSA-N 305.164 4.001 0 40 DIAB Cc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1 411336 ORZBMWATKXOTRM-UHFFFAOYSA-N 318.405 4.366 0 40 DIAB COC(=O)CCCCCCCc1nc(-c2cccc(C)c2)no1 2383544 PKUUYUHDBJZSPX-UHFFFAOYSA-N 316.401 4.101 0 40 DIAB CCC(C)(C)NC(=O)c1oc2ccc(Br)cc2c1C 2644519 AODFHBOFFWYHCV-UHFFFAOYSA-N 324.218 4.422 0 40 DIAB O=C(/C=C/c1ccc(Cl)cc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1C2 2979378 LJAADAIWAMUVQM-OJCQDGOYSA-N 310.224 4.311 0 40 DIAB Cc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)s1 3392207 YPNJYBKEGYODSM-UHFFFAOYSA-N 300.301 4.432 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C 3482785 OZTNUNXEZGXSCF-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 4089220 FDDKOGGAQLAYGN-FQEVSTJZSA-N 301.393 4.227 0 40 DIAB biogenic Cc1ccc(-c2nc3ncc(-c4ccccc4)nn3c2C)cc1 4626223 VJPFPKKYELJLJP-UHFFFAOYSA-N 300.365 4.075 0 40 DIAB Cc1c(Cl)cccc1NC(=O)CCc1nc2ccccc2[nH]1 4999419 BEIICTWYDCACBJ-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB CCCCN(CCCC)C(=S)Nc1cccc(C(=O)OC)c1 5860871 MOXOUBGYPFLOGT-UHFFFAOYSA-N 322.474 4.072 0 40 DIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1C(F)(F)F 6558805 BJDBVXWLLGNQCX-UHFFFAOYSA-N 318.298 4.368 0 40 DIAB CCCOc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 7262558 BRMDFLPHPHZSKI-UHFFFAOYSA-N 319.788 4.146 0 40 DIAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(Cl)c1 7403953 LEEJOGSRFVHLAS-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1ccc2[nH]c(SCc3cn4cccc(C)c4n3)nc2c1 7985635 FVYWDSNBLQLIFH-UHFFFAOYSA-N 308.410 4.120 0 40 DIAB O=C1CCc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1 8297697 HEQZBIBYIQAUMZ-UHFFFAOYSA-N 322.389 4.067 0 40 DIAB Cc1sc2nc(CSc3ccc(F)cc3)[nH]c(=O)c2c1C 8482088 QHIUXJVDTYGAIJ-UHFFFAOYSA-N 320.414 4.033 0 40 DIAB Cc1cccc(/C=C/C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9901830 NRNJKRXYKHDUGV-MDZDMXLPSA-N 316.404 4.074 0 40 DIAB COc1ccccc1NC(=O)C1(c2cccs2)CCCC1 12157865 QEIBVYAGOQLJNS-UHFFFAOYSA-N 301.411 4.207 0 40 DIAB O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 12481018 XTYHVZOJOZJRJQ-UHFFFAOYSA-N 313.828 4.435 0 40 DIAB CN(C(=O)CSCc1c(F)cccc1Cl)c1ccccc1 13632221 JYKRBWFNLYSUFV-UHFFFAOYSA-N 323.820 4.375 0 40 DIAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H](C)C1 14142268 GDCCPBQTWLHAJQ-SNVBAGLBSA-N 306.456 4.052 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(F)cc(F)c1 14239565 ZATXDKONPXQILN-UHFFFAOYSA-N 316.134 4.453 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc1F 15390558 SSVVFIFRBRBZJS-ZDUSSCGKSA-N 313.372 4.029 0 40 DIAB CCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 15589400 GYMDYLTYFXVURW-INIZCTEOSA-N 313.397 4.226 0 40 DIAB Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 19736674 CHPKDWAXNVYYGN-UHFFFAOYSA-N 315.587 4.481 0 40 DIAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(Cl)c(Cl)c1 23682203 SHVYRRWCGMPETO-SECBINFHSA-N 314.237 4.475 0 40 DIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3c2C1 32998008 IVKFSFTWALNPEC-RRFJBIMHSA-N 324.468 4.411 0 40 DIAB CCOC(=O)c1cccc(Nc2ccnc3c(F)cccc23)c1 34925929 ACIGYRYGFJSOLH-UHFFFAOYSA-N 310.328 4.294 0 40 DIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c1 38756111 DNHROVYWESDTBG-DLBZAZTESA-N 311.425 4.257 0 40 DIAB O=C(C1CCCCC1)N(Cc1ccsc1)Cc1ccccn1 44445933 INGOQLUTJDYIPK-UHFFFAOYSA-N 314.454 4.252 0 40 DIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)cc1 44883619 ATEJWPMMIGPQRR-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB Cc1cc2nc(-c3ccc(C)c(-n4cnnc4)c3)oc2cc1C 45920539 PWLXFNMOMMFQNX-UHFFFAOYSA-N 304.353 4.001 0 40 DIAB C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 60015240 UZOMEJPNERMIJM-NSHDSACASA-N 320.795 4.036 0 40 DIAB CC(C)Oc1ccc(NC(=O)CCc2ccccc2F)cc1 61961136 UBDKUUFZIQGURZ-UHFFFAOYSA-N 301.361 4.184 0 40 DIAB Nc1ccccc1NC(=O)c1sc2ccccc2c1Cl 66323669 HVRLCTASCCSQEX-UHFFFAOYSA-N 302.786 4.389 0 40 DIAB Cc1[nH]c(-c2ccccc2)c2cc(-c3ccccc3)[nH]c(=O)c12 67340087 CRAFTSJYIAXDMY-UHFFFAOYSA-N 300.361 4.499 0 40 DIAB CC(C)N1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214339 SYWXQAFQJAWZAY-HNNXBMFYSA-N 319.449 4.364 0 40 DIAB O=C(/C=C/c1cccs1)N1CCC(c2cccs2)CC1 75157015 TUTOTXXZGFIQEB-AATRIKPKSA-N 303.452 4.229 0 40 DIAB Cc1cc(C)c(-c2csc(NC[C@H]3CCCO3)n2)cc1C 84077125 GBPQFEWVCQLGKC-CQSZACIVSA-N 302.443 4.326 0 40 DIAB Cc1ccsc1[C@H](C)NCc1nccn1Cc1ccccc1 95423417 VHDKTQZLKYZWGV-HNNXBMFYSA-N 311.454 4.152 0 40 DIAB COc1ccc(C(=O)CCc2cn(C)c3ccccc23)cc1OC 199728775 IBSSAIDDFIWRLT-UHFFFAOYSA-N 323.392 4.011 0 40 DIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCC1 216387038 MYGKPFRMROFMSK-LJQANCHMSA-N 311.425 4.398 0 40 DIAB CCOc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1Cl 216731640 WCAMTLHKJPSAEA-UHFFFAOYSA-N 302.761 4.438 0 40 DIAB CCOC(=O)c1sc(Nc2cc(Cl)ccc2C)nc1C 223452577 IKGMOYFTFVJNJD-UHFFFAOYSA-N 310.806 4.334 0 40 DIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(C)c3)N21 260778112 RAINCGWTVZYUAZ-NJAFHUGGSA-N 323.465 4.369 0 40 DIAB Clc1cccc(-c2noc(-c3ccnc4ccncc34)n2)c1 559971461 UYMJHFAKUJELCY-UHFFFAOYSA-N 308.728 4.000 0 40 DIAB CCc1nc2sc3c(Cl)ncnc3c2c2c1CCCC2 500018 HBBIIEOBKUAYAG-UHFFFAOYSA-N 303.818 4.334 0 40 DIAB CCOC(=O)c1ccc(N[P@@](C)(=O)Oc2ccccc2)cc1 1268767 OXEPRJBULCNAKN-QFIPXVFZSA-N 319.297 4.177 0 40 DIAB CN(C)CCCNc1c2c(nc3ccc(Cl)cc13)CCCC2 1677542 SGFKZQRIWFBYKO-UHFFFAOYSA-N 317.864 4.131 0 40 DIAB in-vitro O=C(Nc1nnc(-c2cccs2)o1)c1ccc2ccccc2c1 2641561 WEPXDRPXKUGRFR-UHFFFAOYSA-N 321.361 4.204 0 40 DIAB CC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1Cl 3100481 VKXHPIKSXIBRCK-SNVBAGLBSA-N 304.217 4.067 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Cc1c(F)cccc1Cl 3455040 LCWOHVDXMHVDHU-CYBMUJFWSA-N 319.807 4.159 0 40 DIAB CCc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1 4570537 PRRCFWKLGLFHJQ-UHFFFAOYSA-N 307.397 4.480 0 40 DIAB O=[S@@]1OC(c2ccccc2)(c2ccccc2)c2ccccc21 4668723 LWRPDCKRHOITMI-QFIPXVFZSA-N 306.386 4.031 0 40 DIAB CN(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 5380063 UEMOWAFHFRQUAP-UHFFFAOYSA-N 311.425 4.022 0 40 DIAB CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C)cc1 6050071 MQMDTUKUKKDVCG-KRWDZBQOSA-N 317.816 4.295 0 40 DIAB CCCc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7055782 KSVOJJHKDJPZNL-BUHFOSPRSA-N 301.411 4.052 0 40 DIAB Cc1cccc(NC(=O)CSCc2ccc(F)cc2)c1C 7146533 OQWVNTVSLCZLOW-UHFFFAOYSA-N 303.402 4.314 0 40 DIAB Cc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1C 7596002 ZHVQFGZYIBVTEJ-UHFFFAOYSA-N 324.811 4.229 0 40 DIAB O=C(Nc1nccs1)c1cc2c(s1)-c1ccccc1CC2 7654632 GKSFTHXJXZLCGZ-UHFFFAOYSA-N 312.419 4.223 0 40 DIAB CCNc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8665582 PVHIGKNDYZNZIH-QVSKIWFPSA-N 315.457 4.041 0 40 DIAB Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(F)c2)c1 10166002 PIPAAMFYTAPZLI-UHFFFAOYSA-N 311.360 4.365 0 40 DIAB CC(C)(C)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 13552572 JKQABOASWUEKLP-UHFFFAOYSA-N 310.810 4.133 0 40 DIAB Cc1c(C)n(C2CCCCC2)c2ncn(Cc3ccco3)c(=N)c12 13656148 BQZHZODWWJOZGD-UHFFFAOYSA-N 324.428 4.081 0 40 DIAB CC[C@@H](Nc1ccccc1OC)C(=O)Nc1cc(C)ccc1C 20296735 ZYGGWIBUJOEOBI-OAHLLOKOSA-N 312.413 4.141 0 40 DIAB COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1 22072137 YYFLKIGBSNXEDE-UHFFFAOYSA-N 319.364 4.086 0 40 DIAB Nc1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 22124663 PGHOJMMYPBLMJO-UHFFFAOYSA-N 322.593 4.228 0 40 DIAB Cc1ccc(CCC(=O)N[C@H](C)c2ccccc2)cc1Cl 27026699 HNITWUACRGURCP-CQSZACIVSA-N 301.817 4.458 0 40 DIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 30872163 SJCZVODFXHHZON-RCLKMUNOSA-N 309.409 4.203 0 40 DIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2cccs2)o1 31526260 UCDYKRXXPNDNKT-XIACAKRESA-N 301.411 4.136 0 40 DIAB CC(=O)c1cccc(NC(=O)Nc2nc(C(C)(C)C)cs2)c1 32647760 PUMQIUSWBWHHRH-UHFFFAOYSA-N 317.414 4.287 0 40 DIAB C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccccc1 32862932 BWFQNKVYNUDILP-CYBMUJFWSA-N 302.805 4.243 0 40 DIAB CCc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc1 40097935 AJEYTQQDFHTFKO-GFCCVEGCSA-N 316.376 4.279 0 40 DIAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2ncccc2c1 58380971 GJIAVNFGFHBCCR-UHFFFAOYSA-N 316.404 4.295 0 40 DIAB c1ccc(-c2nc3ccccn3c2CSc2nncs2)cc1 58930230 UMIVILKJASBDRU-UHFFFAOYSA-N 324.434 4.145 0 40 DIAB O=C(CSCc1csc(C2CCCC2)n1)NC1CCCC1 63898687 LDXFHIHNKXPYTB-UHFFFAOYSA-N 324.515 4.093 0 40 DIAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1NC1CCC1 72213896 FXGAZYDDYREIRE-HNNXBMFYSA-N 317.433 4.118 0 40 DIAB COc1cccc(-n2c(-c3cccc(N)c3)nc3ccccc32)c1 73739942 AWMSOXBIEXXMQG-UHFFFAOYSA-N 315.376 4.283 0 40 DIAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 79015155 HUZMMIJJOKUADD-UHFFFAOYSA-N 320.392 4.491 0 40 DIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CSCc1ccccn1 79440896 HYZLBELBLJUXQY-OAHLLOKOSA-N 322.474 4.104 0 40 DIAB Cc1cc(C)n2cc(CNc3cc(Cl)ccc3Cl)nc2n1 95952510 JYKMUTLJZVQTAE-UHFFFAOYSA-N 321.211 4.265 0 40 DIAB Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)OC(=O)C1CC1 95960723 UKFHWCWVSGJLQD-JTQLQIEISA-N 305.374 4.272 0 40 DIAB CN1[C@H](c2ccccc2)[C@H]2CCC[C@@H]([C@@H]2O)[C@@H]1c1ccccc1 100745664 VOVYUVZGDORCCG-SSSFQFABSA-N 307.437 4.192 0 40 DIAB CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 104647506 GPFVBJYXFRIOFB-LCLWPZTBSA-N 316.441 4.396 0 40 DIAB biogenic,in-vitro CCOc1cccc(CNC(=O)c2ccccc2SCC)c1 113958274 HYDMKYFXJBBPQV-UHFFFAOYSA-N 315.438 4.127 0 40 DIAB CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(C)c2)cc1 113969711 IETIBCMEHGEPNR-LJQANCHMSA-N 311.425 4.031 0 40 DIAB Cc1nc(C2CC2)ncc1C(=O)Nc1cccc2ccccc12 222562366 MFBCNVOFPNAFEP-UHFFFAOYSA-N 303.365 4.068 0 40 DIAB CCc1ccc(CC)c(CNC(=O)c2ccccc2SC)c1 222595587 JZWAMDRDYFWRBZ-UHFFFAOYSA-N 313.466 4.463 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 222867433 NLTNPNCKAXFZDC-APWZRJJASA-N 311.425 4.338 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccc(C)cc2Cl)cc1 225002084 IGXITQJYZMHCQP-UHFFFAOYSA-N 301.817 4.319 0 40 DIAB Cn1c(=S)n(C(=O)c2ccc(Cl)cc2)c2ccccc21 255189810 SFTAHOHOESUCON-UHFFFAOYSA-N 302.786 4.051 0 40 DIAB c1cncc(CSc2ncccc2-c2nc3ccccc3[nH]2)c1 1329090 HLYZFUCCVRLEIV-UHFFFAOYSA-N 318.405 4.312 0 40 DIAB CCO[P@]1(=O)OCC(Cl)(Cl)[C@@H](c2ccccc2)O1 1747646 KSCUSLLSWVGGLC-MLCYQJTMSA-N 311.101 4.093 0 40 DIAB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccccc2C)c1 2061702 FVCFQYFVSTVGKB-UHFFFAOYSA-N 304.411 4.195 0 40 DIAB S=C(NCc1ccc(Cl)cc1Cl)NC1CCCCC1 3231695 WNWUONQKQFUUPO-UHFFFAOYSA-N 317.285 4.290 0 40 DIAB COc1ccccc1OCCSc1nc2c(C)cccc2[nH]1 4943215 IHVGJYKKYCXMFL-UHFFFAOYSA-N 314.410 4.051 0 40 DIAB Cc1ccc2oc(C(=O)Nc3c(C)cccc3C(=O)O)c(C)c2c1 5032572 VVHKLHNAKIBLBU-UHFFFAOYSA-N 323.348 4.309 0 40 DIAB CC(C)c1cc(N2CCCC2)n2ncc(-c3ccccc3)c2n1 5307283 NCQPPOLYXLIGOL-UHFFFAOYSA-N 306.413 4.120 0 40 DIAB Cc1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1 5578668 YTGUEXXQIPSYDD-UHFFFAOYSA-N 311.425 4.122 0 40 DIAB Cc1ccc(SCC(=O)c2ccc3c(c2)OCO3)c(C)c1 6916911 DHKHDZZUSYCYIF-UHFFFAOYSA-N 300.379 4.007 0 40 DIAB Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112646 XANRNMYEPSUMKT-KRWDZBQOSA-N 324.405 4.416 0 40 DIAB CC(C)n1nccc1NC(=O)c1cc2c(s1)CCCCC2 7988565 LGECCLNZPJYJFN-UHFFFAOYSA-N 303.431 4.047 0 40 DIAB CCCCN(CC)Cc1c(C)nc2c(C)cc(C)cc2c1O 8713994 AFMVRSMHFPBYEI-UHFFFAOYSA-N 300.446 4.488 0 40 DIAB Cc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)cc1 9008004 CCSYLKZAGQXTIP-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB c1cc(-c2nccc(CN3CCCC4(CCCCC4)C3)n2)ccn1 12252134 AOFVJLHNQRLNFY-UHFFFAOYSA-N 322.456 4.085 0 40 DIAB C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccn1 12551513 HQBGMFVGWJIODQ-JTQLQIEISA-N 318.302 4.217 0 40 DIAB Cc1cccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 12561788 RMONNNVLOPKVOQ-LLVKDONJSA-N 313.426 4.083 0 40 DIAB CSc1ccc(CN(C)C(=O)NCc2ccc(C)cc2)cc1 13004938 NDACFZZWXKUIPS-UHFFFAOYSA-N 314.454 4.059 0 40 DIAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 14397876 TXQGWNXMMLWLNG-ZDUSSCGKSA-N 317.360 4.019 0 40 DIAB Cc1cccc(-c2nnc([C@@H](C)N(C)Cc3ccccc3)o2)c1 15462024 SWRCHZMPZLPZLL-OAHLLOKOSA-N 307.397 4.238 0 40 DIAB FC(F)(F)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 16212662 FNEKDQWBBFCRFP-CWSCBRNRSA-N 314.376 4.180 0 40 DIAB C[C@@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17030791 DZOJHFYRUWMBQF-SNVBAGLBSA-N 302.365 4.134 0 40 DIAB CCCOc1cccc(CNc2cccc(OCCOC)c2)c1 19737579 UNDYUMNJOGQAOV-UHFFFAOYSA-N 315.413 4.113 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCC(C)(C)C1 20484554 DYWRQBXYONQRGP-KRWDZBQOSA-N 303.446 4.109 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)COc2cccc(C)c2C)cc1 22739763 AUAZCMNHHXVHRR-MRXNPFEDSA-N 311.425 4.122 0 40 DIAB CCC[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 23456885 DEONRFLKBWKNTB-WFFDWFOESA-N 313.441 4.039 0 40 DIAB O=C(NCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 28285854 OCXUYSHJJGDWAR-UHFFFAOYSA-N 313.828 4.468 0 40 DIAB CCOc1cccc(CNc2ccc(Br)cc2)c1 32204567 LHYGEYKKAPOHOE-UHFFFAOYSA-N 306.203 4.460 0 40 DIAB Cc1occc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 32837298 GKISBODXYZJQHF-ZDUSSCGKSA-N 307.802 4.208 0 40 DIAB CCc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1 32854422 QUFUXBGUSRYWKK-UHFFFAOYSA-N 323.314 4.285 0 40 DIAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72213387 JBPWDTAUZLKHIK-HIFRSBDPSA-N 319.449 4.364 0 40 DIAB CCOc1ccccc1C(=O)c1ccccc1OC(F)(F)F 95917440 MINUWIOQIJOSSJ-UHFFFAOYSA-N 310.271 4.215 0 40 DIAB CCCCN(C(=O)CCC)c1ccc(Br)s1 96102445 LXPJRALRMHNJSM-UHFFFAOYSA-N 304.253 4.444 0 40 DIAB CCS[C@H]1C(C)=C(C)C(=O)N1[C@@H](C)CCc1ccccc1 199414568 DSRHIMVBYJBFEU-UGSOOPFHSA-N 303.471 4.266 0 40 DIAB CCCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223207761 FAYHNQGGLCKOJC-OAHLLOKOSA-N 323.436 4.455 0 40 DIAB CC[C@@H](NC(=S)Nc1ccccc1)c1ccc(OC)c(C)c1 223221925 FIYXPSGAKXTGFY-MRXNPFEDSA-N 314.454 4.441 0 40 DIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1 223541298 QZMQUZIXGBRVFD-HNNXBMFYSA-N 324.424 4.084 0 40 DIAB Cc1cccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225076598 SKZMBXPTTJEYGN-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC(C)(Cc1ccccc1)NC(=S)Nc1ccc(F)cc1 225462045 JOILFWFSGFQFGI-UHFFFAOYSA-N 302.418 4.133 0 40 DIAB Cc1cccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)c1 408528786 KYLNOPRTZSWLFL-UHFFFAOYSA-N 318.376 4.288 0 40 DIAB CC(C)[C@H]1O[C@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C 117990 DEVCZLMVNZTDTN-SJLPKXTDSA-N 317.429 4.131 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1C 384996 JPDSVJVECIGUMW-UHFFFAOYSA-N 305.381 4.050 0 40 DIAB COC(=O)c1ccc(OC(=O)Nc2cccc(Cl)c2C)cc1 1739702 ZYQJCWLYFSUNMH-UHFFFAOYSA-N 319.744 4.046 0 40 DIAB O=C(/C=C/c1cccc(F)c1)OCc1nc2ccccc2s1 2627468 SMNUHXURFSNHJG-CMDGGOBGSA-N 313.353 4.192 0 40 DIAB CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 3209591 IDZUQOVMODXBHW-UHFFFAOYSA-N 318.398 4.410 0 40 DIAB COc1ccc(NC(=O)CSCc2ccccc2)cc1Cl 3606930 ABQWUJPRGQGZSI-UHFFFAOYSA-N 321.829 4.221 0 40 DIAB Cc1ccc(-n2c(C)nnc2SCc2ccccc2F)cc1 4354816 BVCGYJLKODJBIL-UHFFFAOYSA-N 313.401 4.316 0 40 DIAB COc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)c1 5032734 HGUYXBMEYYKLMY-UHFFFAOYSA-N 323.348 4.120 0 40 DIAB Cc1nc2ccccc2n1CCC(=O)Nc1cccc(Cl)c1 5208478 WCUPAUYMAPEABO-UHFFFAOYSA-N 313.788 4.027 0 40 DIAB O=C(NC1CC1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 5775651 XXLAXOKOIFGDLS-UHFFFAOYSA-N 322.795 4.447 0 40 DIAB CC(C)c1ccc(NC(=S)NCc2ccc(Cl)nc2)cc1 6025981 FUGXQFCDJAINFK-UHFFFAOYSA-N 319.861 4.345 0 40 DIAB CCOC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 6401846 CDKQNGIWVZDPFV-XIKOKIGWSA-N 300.402 4.036 0 40 DIAB CC(C)CN(CC(C)C)Cn1nc(-c2cccs2)[nH]c1=S 6459355 OJDLRRQCQPYBTP-UHFFFAOYSA-N 324.519 4.241 0 40 DIAB C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@H]4CO 8618858 HHAMKMUMKLXDFQ-VNFRBCGJSA-N 320.473 4.092 0 40 DIAB Cc1c(C(=O)CSc2nncs2)sc2ccccc12 8704768 SIERCCNYDHLBFS-UHFFFAOYSA-N 306.437 4.036 0 40 DIAB O[C@H](C1=C/C(=C/c2ccncc2)c2ccccc21)c1ccncc1 13099040 JTMFJLXJCCVSIM-YULVEUEDSA-N 312.372 4.148 0 40 DIAB in-vitro C[C@H](Oc1ccccc1Cl)C(=O)NC1CCCCCCC1 13710042 JCZUHIKMSZTTLO-ZDUSSCGKSA-N 309.837 4.336 0 40 DIAB Cc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20137439 BYLICOWIOUVZAS-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB Cc1cc(C)cc(CSCC(=O)NC(C(C)C)C(C)C)c1 20237934 VLTUBUCYAIXPTA-UHFFFAOYSA-N 307.503 4.333 0 40 DIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(COc2ccccc2)o1 23976102 SCOLMFXCNQCHJM-PBHICJAKSA-N 313.397 4.167 0 40 DIAB CCC(C)(C)C1CCC(NC(=O)c2cccnc2Cl)CC1 26895809 FJYWTUFVGJTWQY-UHFFFAOYSA-N 308.853 4.460 0 40 DIAB COc1ccccc1N1C=C(C)C(C)=NN(c2ccccc2)C1=O 28526917 CZBLZGDWUJKQLX-UHFFFAOYSA-N 321.380 4.422 0 40 DIAB O=C(NCc1ccccc1COc1ccccc1)c1cccs1 30186809 NJKIFHDLFGBPJX-UHFFFAOYSA-N 323.417 4.257 0 40 DIAB O=C(Nc1ccncc1)c1cccc2c3c([nH]c12)CCCCC3 30600897 HQDPTNOEWVZPJI-UHFFFAOYSA-N 305.381 4.084 0 40 DIAB COc1ccccc1COC(=O)c1occc1-c1ccccc1 31680212 KMICBJCTBNWTJW-UHFFFAOYSA-N 308.333 4.312 0 40 DIAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1cccs1 32988684 DWLLUABBNAPSFN-SWLSCSKDSA-N 319.401 4.018 0 40 DIAB CC(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2o1 33216339 NARQPOADVPKYKA-UHFFFAOYSA-N 300.383 4.194 0 40 DIAB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccccc1 38152802 XEEWMSXTQSRVAP-UHFFFAOYSA-N 313.360 4.254 0 40 DIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2)C1 38567184 JASKULAVZBNNHB-OAHLLOKOSA-N 319.326 4.335 0 40 DIAB CN(C(=O)CSCc1ccc(Cl)cc1)C1CCCCC1 38754292 YIRPAEBKTSSHCE-UHFFFAOYSA-N 311.878 4.364 0 40 DIAB CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 38835253 XYTGMXVEBILDJI-IBGZPJMESA-N 322.452 4.100 0 40 DIAB CC[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccc(C)cc1 40034503 VKERTMYWHIEGOF-LJQANCHMSA-N 318.420 4.353 0 40 DIAB C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1cccs1 43485842 CTQSCQIPQXKXLW-ZDUSSCGKSA-N 315.442 4.231 0 40 DIAB CC[C@H](C)[C@H](C)NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 48301920 NRHUOAWRVOBDDP-WWUQSUGHSA-N 319.445 4.046 0 40 DIAB Cc1c(C[S@@](C)=O)cccc1NC(=O)CCC1CCCCC1 71909697 MZXLBRWUPHXXGY-QFIPXVFZSA-N 321.486 4.173 0 40 DIAB CSc1ccc(C)c(C(=O)N(C)c2ccc(Cl)cn2)c1 79472529 FJCJDLYXCSQJSA-UHFFFAOYSA-N 306.818 4.042 0 40 DIAB Cc1ncsc1CC[S@@](=O)Cc1ccc(C(C)C)cc1 86165145 WMAFFAFSQKGPLP-FQEVSTJZSA-N 307.484 4.066 0 40 DIAB COC[C@H](N[C@H]1C[C@@H](C)Sc2ccccc21)c1ccco1 95968845 SYQUNUCFCQBUAN-SNPRPXQTSA-N 303.427 4.182 0 40 DIAB COc1ccc(CNc2c(C)cc(C)cc2C)c(OC)c1OC 96998696 WXROIUKHVRHZGY-UHFFFAOYSA-N 315.413 4.250 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NC(C(C)C)C(C)C 113970595 LDPDWNNNSQIVJR-INIZCTEOSA-N 305.462 4.258 0 40 DIAB O=C(c1ccncc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206879054 JSZGODVIOFYLQT-INIZCTEOSA-N 314.816 4.145 0 40 DIAB C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCC2 223257505 QSCQBJGYIAIWKP-LBPRGKRZSA-N 314.429 4.362 0 40 DIAB CC(C)(C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225274580 ADKNOSHSUMUTLQ-UHFFFAOYSA-N 310.772 4.444 0 40 DIAB Nc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 226347810 AVLGBXCFOTZPMK-UHFFFAOYSA-N 312.756 4.435 0 40 DIAB Cc1cc(C)c(NC(=O)CSc2ccc(Cl)cc2)c(N)c1 226359578 KTVXTIRARSFKQL-UHFFFAOYSA-N 320.845 4.270 0 40 DIAB C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1csc(C2CC2)n1 230110306 SVVOUULIIFGKJY-SLEUVZQESA-N 319.474 4.056 0 40 DIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251192548 CTZNUJIBAUPQPV-OBZTVWKBSA-N 323.436 4.302 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(F)cc1 172885 HAHBASMBZNQKBF-UHFFFAOYSA-N 309.793 4.351 0 40 DIAB COCc1cc(Sc2ccc(Cl)cc2)nc(SC)n1 1389097 BUHKCVPGDXBMMR-UHFFFAOYSA-N 312.847 4.150 0 40 DIAB CCCNC(=O)OCc1cccnc1Sc1ccc(C)cc1 3105726 HAJZSXHSZVRRKM-UHFFFAOYSA-N 316.426 4.177 0 40 DIAB O=C(NCc1cccc(Cl)c1)c1ccc(Br)cc1 3562423 YMJUVJICYQFQHV-UHFFFAOYSA-N 324.605 4.033 0 40 DIAB C[C@@H]1C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2[C@H](C)c2ccccc21 4044395 KOXAUIJMWHCIOC-PSTGCABASA-N 321.376 4.150 0 40 DIAB biogenic Cc1ccc(-n2ncc3c(Nc4ccc(F)cc4)ncnc32)cc1 4354955 HICUZKOFJCXILL-UHFFFAOYSA-N 319.343 4.007 0 40 DIAB CCCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)cc1 4539038 KQUNMAORKQRHRL-FQEVSTJZSA-N 322.408 4.173 0 40 DIAB O=C(OCc1cc(-c2cccs2)on1)c1c(F)cccc1F 7551208 HDRLSNWARQRZTQ-UHFFFAOYSA-N 321.304 4.038 0 40 DIAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)NC1CCCCC1 7640877 DTJJKCSGAWDZJJ-HNNXBMFYSA-N 316.514 4.494 0 40 DIAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Cl)cc1Cl 8906786 SCZFMGGFXOZIEC-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB COc1cc(C(C)=O)ccc1OCc1cc(-c2ccccc2)on1 9479015 DISKHCCFFLGMND-UHFFFAOYSA-N 323.348 4.132 0 40 DIAB Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)o1 12783496 RSGDOIRWPMNVIE-CQSZACIVSA-N 305.374 4.002 0 40 DIAB C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1F 12909119 VQEDJCKXEFXVTN-ZDUSSCGKSA-N 313.351 4.001 0 40 DIAB CCC[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1 16047136 BQOPHBYHXKUSBK-PBHICJAKSA-N 321.424 4.115 0 40 DIAB Cc1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2ccccn12 19240679 IUDHUCXNBOUHGX-QGZVFWFLSA-N 323.415 4.161 0 40 DIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@@H](C)C1 20043910 TWAOVGBQOWFCON-CRAIPNDOSA-N 311.425 4.256 0 40 DIAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2Cl)cc1 20489859 YJYPANGABCANHO-AWEZNQCLSA-N 317.816 4.074 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c2cccnc12 24867433 VCBBGAKOBWRYLI-CYBMUJFWSA-N 324.355 4.088 0 40 DIAB CC(C)(C)C1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1 24989259 XLZAUCAHJKLILN-UHFFFAOYSA-N 313.445 4.032 0 40 DIAB CCOc1ccccc1OCCSc1nc2ccccc2[nH]1 32499969 ZAFUDNWJEWNSQJ-UHFFFAOYSA-N 314.410 4.133 0 40 DIAB CCc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)cc1 36623112 BICBRPOHCRNZDY-ZDUSSCGKSA-N 301.817 4.322 0 40 DIAB O=C(c1ccc(F)cc1)N1CCSc2ccc(Cl)cc21 40071179 OKJUUOHOOHBJAP-UHFFFAOYSA-N 307.777 4.232 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2ccc(Cl)s2)c1C 40074632 RBKXDNCKLUQDNM-MRVPVSSYSA-N 324.833 4.040 0 40 DIAB Cc1cc(OCC[C@H]2CCCNC2)c(Cl)c(C)c1Cl 42773706 XHEDULLYAGTNIJ-GFCCVEGCSA-N 302.245 4.379 0 40 DIAB CCN(Cc1ccccc1)c1cc(C)c(Br)cn1 42783510 ZENIPTNXSTZNMP-UHFFFAOYSA-N 305.219 4.179 0 40 DIAB CCOC(=O)CCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214399 PPWWWBMZAFAZDS-UHFFFAOYSA-N 309.576 4.173 0 40 DIAB Nc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2F)n1 49467827 KDAKGEFBNPWZIX-UHFFFAOYSA-N 314.751 4.262 0 40 DIAB COC(=O)Nc1ccc(CNc2nc3ccccc3s2)cc1 52328565 HMQLKLITRKUQJP-UHFFFAOYSA-N 313.382 4.087 0 40 DIAB CC[C@H](C)c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890723 BTCHVLPCQIFIAZ-JTQLQIEISA-N 312.373 4.444 0 40 DIAB O=[S@@](Cc1coc(-c2cccc(F)c2)n1)CC1CCCCC1 72242465 XVCPOPFFDIGZHB-QFIPXVFZSA-N 321.417 4.310 0 40 DIAB COC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 109768249 KPGMYMBELMXWEF-UHFFFAOYSA-N 311.168 4.106 0 40 DIAB CC(C)(C)c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)cc1 165378666 KUKSIYZPNBFGHM-RMKNXTFCSA-N 322.330 4.257 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc3ccccc23)c1 222858047 UDNILDLCGCPRHG-MRXNPFEDSA-N 319.404 4.232 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCCc2ccccc21 222962619 PUUUKHDAGPKFCN-IBGZPJMESA-N 323.436 4.440 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)c1 225018747 RMULROGXPGEDGK-LJQANCHMSA-N 306.361 4.223 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225070953 XMHPSDLMUPZUTH-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB CCCCc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)O)cc1 225127737 UJCXDELILPBSGD-IBGZPJMESA-N 312.409 4.412 0 40 DIAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225728062 LJKVPRHEMONKEV-UHFFFAOYSA-N 307.434 4.174 0 40 DIAB CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1 128375 PGIRVYDXCDRCSU-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 387991 YWBPASCFWRSCNN-UHFFFAOYSA-N 308.815 4.027 0 40 DIAB CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 559131 RQCLYPAQXWADAU-UHFFFAOYSA-N 314.351 4.290 0 40 DIAB CN(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1096737 MZUIENKZXUBVDE-UHFFFAOYSA-N 308.303 4.369 0 40 DIAB CN(C)[C@H]1C[C@](c2cccs2)(C2CCCCC2)CCC1=O 1577544 KGFHLVDDNFZNTD-YJBOKZPZSA-N 305.487 4.249 0 40 DIAB O=C(Cc1ccc(Cl)cc1)NCCCCc1ccccc1 2736497 OYIYSNRBSQJVPE-UHFFFAOYSA-N 301.817 4.022 0 40 DIAB c1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1 3052805 PUUWICDPKVXZAQ-UHFFFAOYSA-N 300.361 4.332 0 40 DIAB O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 3264184 PMVKNDQCVZYHKV-UHFFFAOYSA-N 311.765 4.142 0 40 DIAB Cc1cc(C(=O)CCC(=O)Nc2ccc(F)cc2F)c(C)s1 3554478 OQDVMCCPFBFCFQ-UHFFFAOYSA-N 323.364 4.245 0 40 DIAB Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2F)cc1 3611265 OWTCLAAAANZFTP-UHFFFAOYSA-N 305.324 4.071 0 40 DIAB Cc1nc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc2s1 5578334 UNRQYLHXHJEGEC-XQQFMLRXSA-N 300.427 4.370 0 40 DIAB COc1cc(C)c(NC(=O)c2ccc3ccccc3c2)cc1OC 5616809 XUEZDSGIRRUQJA-UHFFFAOYSA-N 321.376 4.418 0 40 DIAB C[C@@H](CNC(=O)CSc1ccc(Cl)cc1)c1ccccc1 6123886 UJFPLSJQDZTNCM-ZDUSSCGKSA-N 319.857 4.352 0 40 DIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1Cl 6336805 FFGIVEJXLQYOHS-UHFFFAOYSA-N 307.796 4.178 0 40 DIAB Cc1cc(COC(=O)Cc2coc3ccc4ccccc4c23)no1 7833144 ZBSLWEXKHRRQFZ-UHFFFAOYSA-N 321.332 4.168 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2Cl)c1C 8775775 OKHWRHQOXJHKDJ-UHFFFAOYSA-N 304.777 4.048 0 40 DIAB COc1cccc2cc(C(=O)Nc3ccccc3SC)oc12 9133714 KCPMDDVBWJRBEY-UHFFFAOYSA-N 313.378 4.416 0 40 DIAB COc1ccc(NC(=O)c2csc3ccccc23)c(OC)c1 9315293 IAARAUQMBMIFKX-UHFFFAOYSA-N 313.378 4.171 0 40 DIAB CCCc1ccc(-c2nc(N3CCCC3=O)sc2C)cc1 12800680 XKGHPLBDDBOSSA-UHFFFAOYSA-N 300.427 4.198 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12 12895343 BQKLEOBMFAGUJC-MRXNPFEDSA-N 320.436 4.238 0 40 DIAB biogenic C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)/C(=C/CO)CC[C@@H]12 17284663 KXVALZPKSDUKFU-ACDZRLFSSA-N 312.453 4.357 0 40 DIAB CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1C 20025595 AKELPNCOFWUBSZ-GOSISDBHSA-N 309.409 4.201 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC2CCCCCC2)c1 20108595 AUCRACIRVUMFAE-INIZCTEOSA-N 303.446 4.218 0 40 DIAB CCCn1c(NC(=O)c2c(C)oc(C)c2C)nc2ccccc21 21126912 ZJTZMQQWGQYAQV-UHFFFAOYSA-N 311.385 4.217 0 40 DIAB CC[C@H](NC(=O)c1ccccc1Cl)c1ccc(OC)cc1 22522288 LGCSAMHCKYDSGN-INIZCTEOSA-N 303.789 4.230 0 40 DIAB COc1ccc(F)cc1C(=O)Nc1c(C)cc(C)cc1Cl 23443785 YEHOOFGMDQQONJ-UHFFFAOYSA-N 307.752 4.357 0 40 DIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCOc2ccccc21 24585979 HEAFOOJYOKEWLN-UHFFFAOYSA-N 323.323 4.125 0 40 DIAB O=C1CCCC[C@@H]1Sc1nccn1-c1ccc(Cl)cc1 26042192 VHMKJOAJGNSNRH-AWEZNQCLSA-N 306.818 4.130 0 40 DIAB Cc1nc(Cc2nc(-c3ccc(F)cc3F)cs2)cs1 32825903 HJRITFWLGCZCJQ-UHFFFAOYSA-N 308.378 4.444 0 40 DIAB O=C(OCCc1ccccn1)c1sc2ccccc2c1Cl 32980113 ZPDGTNFRGHAVTA-UHFFFAOYSA-N 317.797 4.349 0 40 DIAB CN(Cc1ccsc1)C(=O)c1cc2ccccc2c(Cl)n1 35234510 JSJWBCQVRCJATA-UHFFFAOYSA-N 316.813 4.222 0 40 DIAB CSc1ccccc1NCc1c[nH]nc1-c1cccs1 37279194 SHKSIOWGGGRADX-UHFFFAOYSA-N 301.440 4.472 0 40 DIAB CSc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 40965072 KMFBPDBOKAVXNE-UHFFFAOYSA-N 301.440 4.059 0 40 DIAB C[C@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 44874322 FJYBPSAYQPCJKT-STQMWFEESA-N 311.360 4.288 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCCCC2)cc1 44947325 BFFCZSJHIOZAAP-GOSISDBHSA-N 303.446 4.479 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1Cl 45671269 LJTVHIJATWJKFX-CQSZACIVSA-N 301.817 4.020 0 40 DIAB Cc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C3CCCC3)n2)c1 72288555 CUABDKBZCYKGCT-GOSISDBHSA-N 323.440 4.239 0 40 DIAB CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccnc(Cl)c1 79104943 PEFJGSCGOSZYNF-MRXNPFEDSA-N 316.832 4.218 0 40 DIAB CC[C@H](COc1cccc(C)c1)NC(=O)c1cccc(Cl)c1 80344801 CFMQWXVDUGZTDC-MRXNPFEDSA-N 317.816 4.236 0 40 DIAB OCCCSc1ccc(NCc2cccc3cccnc23)cc1 95429054 LRLJGPWZFNUNCY-UHFFFAOYSA-N 324.449 4.321 0 40 DIAB O=C(O)c1ccc(/C=C/C(=O)c2ccc(F)cc2F)c(Cl)c1 96009378 YGTZININVPQALF-ZZXKWVIFSA-N 322.694 4.213 0 40 DIAB COc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3C)nc2c1 98086933 ZDXDIRLEXVGNMB-UHFFFAOYSA-N 324.380 4.406 0 40 DIAB S=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@H]1C2 102597853 ZNPZZRYCWATNQP-RVBZMBCESA-N 315.269 4.468 0 40 DIAB O=C(Nc1cccs1)N(Cc1cccs1)C1CCOCC1 207962370 OXDNHQIRYNUCHA-UHFFFAOYSA-N 322.455 4.023 0 40 DIAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 224055070 FYRSRFLIDAAEFS-UHFFFAOYSA-N 311.772 4.086 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C)c(C)c1 224605804 GSVNUPVTSMZBCI-HNNXBMFYSA-N 305.462 4.402 0 40 DIAB O=C(NCCCc1cccc2ccccc12)c1cccc(F)c1 224959270 ZSBQAVUICJTHET-UHFFFAOYSA-N 307.368 4.342 0 40 DIAB C[C@H](C(=O)O)N(C)c1cc(Cl)ccc1Oc1ccccc1 225004919 WFBGXTDWBKLKFE-LLVKDONJSA-N 305.761 4.042 0 40 DIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225701473 IONYQXINHWJOGW-INIZCTEOSA-N 313.825 4.273 0 40 DIAB CN(c1ccccc1)c1c(Cl)cc(N)cc1Br 226316996 NHQORTIACSZPFE-UHFFFAOYSA-N 311.610 4.453 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C 226324272 LXXWFWVNJMBHCX-CYBMUJFWSA-N 311.429 4.101 0 40 DIAB Cc1c(Cl)cccc1NC(=O)c1noc2c1CCCCC2 426562 HYZCKRGFWILGME-UHFFFAOYSA-N 304.777 4.158 0 40 DIAB Fc1cccc(CNc2ncnc3cc(Cl)ccc23)c1F 1405665 FCIRSCRJAQXPSX-UHFFFAOYSA-N 305.715 4.174 0 40 DIAB CN(C)CCO[C@@](C)(c1ccccc1)c1ccc2ccccc2n1 1621991 YDJVFOAHQRFWRZ-NRFANRHFSA-N 320.436 4.077 0 40 DIAB C[C@@H](COc1ccccc1C(=O)c1ccccc1)N1CCCCC1 2023136 GXXVJKIOCGZKIE-KRWDZBQOSA-N 323.436 4.171 0 40 DIAB Cc1cccc(NC(=O)c2ccc(Br)cc2)c1C 3058138 NQABJIFVOCNILP-UHFFFAOYSA-N 304.187 4.318 0 40 DIAB COc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 3409652 MUMAKDUENBMQCS-UHFFFAOYSA-N 308.381 4.138 0 40 DIAB Cc1cc(NC(=O)Cc2ccccc2F)ccc1Br 3562211 YVDGORAJSHVBHL-UHFFFAOYSA-N 322.177 4.078 0 40 DIAB Cc1ccc(OCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 4386871 ZTIUXOWJDFTLEV-IBGZPJMESA-N 322.408 4.275 0 40 DIAB C/C=C\C(=O)N1c2ccccc2C[C@H]1c1c[nH]c2ccccc12 5029851 COBVHQPLRWXCAW-NRUPQRNLSA-N 302.377 4.374 0 40 DIAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)o2)c1 5698299 YCCFFCVYNGGSLM-UHFFFAOYSA-N 309.365 4.199 0 40 DIAB CCOc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6892399 GZGPTTWIZTVHKE-KIJMYCCXSA-N 316.441 4.008 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(F)cc1 7007595 NFRTYSLFJVFKKF-GFCCVEGCSA-N 324.355 4.280 0 40 DIAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(Cl)cc1 7601456 QPWFPRKVUGVOJX-UHFFFAOYSA-N 316.817 4.005 0 40 DIAB CCOc1ccc2oc(=O)c(-c3nc4ccccc4s3)cc2c1 8390725 AVLZLHQGKMTWTL-UHFFFAOYSA-N 323.373 4.468 0 40 DIAB CCCCN(CC)Cc1c(C)nc2c(CC)cccc2c1O 8714173 QNFCYIBRKKXIPQ-UHFFFAOYSA-N 300.446 4.433 0 40 DIAB CCCC(=O)Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1 8993658 FEHZKWCBYRSJEP-UHFFFAOYSA-N 315.760 4.282 0 40 DIAB CCCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O 12814016 CAFQDOAVKCVIFA-UHFFFAOYSA-N 304.802 4.188 0 40 DIAB Cc1ccc2nc(C)c(C(=O)NCCc3ccccc3C)cc2c1 12920308 YHTMKDWCMPXQDC-UHFFFAOYSA-N 318.420 4.133 0 40 DIAB Cc1ccc2c(CC(=O)NCCc3cccs3)coc2c1C 14197317 KGMFSHDFWUGZOF-UHFFFAOYSA-N 313.422 4.013 0 40 DIAB O=C(Nc1cccnc1)c1c(-n2cccc2)sc2c1CCCC2 15826737 CLFSFSYQCNTLSD-UHFFFAOYSA-N 323.421 4.065 0 40 DIAB Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12 19860439 PLFFNNHALWJMMN-UHFFFAOYSA-N 302.780 4.293 0 40 DIAB COc1ccccc1-c1nc(Cl)nn1-c1ccc(Cl)cc1 22125755 XPAUCSZAJHADDC-UHFFFAOYSA-N 320.179 4.250 0 40 DIAB O=C1CCCC[C@H]1Sc1nccn1-c1ccc(Cl)cc1 26042185 VHMKJOAJGNSNRH-CQSZACIVSA-N 306.818 4.130 0 40 DIAB CCC(=O)Nc1ccc([C@@H](C)NCc2sccc2C)cc1 30640811 GYTYJCOFHGOCIJ-CYBMUJFWSA-N 302.443 4.256 0 40 DIAB C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 35568030 OAFZPVSSZNZDSU-ZIAGYGMSSA-N 317.816 4.027 0 40 DIAB Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C 38833625 MGNLSBHFEFXMQR-UHFFFAOYSA-N 319.408 4.109 0 40 DIAB CCCC[C@H](CC)CNC(=O)COc1cc(C)cc(C)c1C 40868870 OGFMABYRFPOIJL-KRWDZBQOSA-N 305.462 4.323 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)Nc1cccc(N2CCCC2)c1 52410801 CCVBAFLJTVZKJJ-DHZHZOJOSA-N 310.372 4.078 0 40 DIAB C[C@@H](c1ccco1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 56181457 DKHZUOQMOUNDNU-ZDUSSCGKSA-N 308.381 4.056 0 40 DIAB C[C@@H](SCc1nc2ccsc2c(=O)[nH]1)c1cccs1 71915144 QIZDUFKASVSKNG-MRVPVSSYSA-N 308.453 4.041 0 40 DIAB CSc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72216977 NHGMTQYXJDYXCE-INIZCTEOSA-N 312.438 4.171 0 40 DIAB Cc1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc1F 74121449 OUVAVOJBQOPDTR-UHFFFAOYSA-N 323.249 4.265 0 40 DIAB C[C@@H](O)c1cccc(OCc2coc(-c3cccs3)n2)c1 75094576 FSOLMTHOTVQMIF-LLVKDONJSA-N 301.367 4.035 0 40 DIAB O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F 89774654 LLDPMJZKMYPPMK-FZMZJTMJSA-N 322.742 4.296 0 40 DIAB COCCCCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 96409991 BCHBBAMQSSWHNL-GOSISDBHSA-N 303.446 4.255 0 40 DIAB Cc1nc(-c2cccc(N[C@@H](C)C3CCN(C)CC3)c2)oc1C 97038180 RXEOJXWARMUZIO-AWEZNQCLSA-N 313.445 4.101 0 40 DIAB CCOc1cccc2cc([C@@H](C)NCc3nc(C)c(C)o3)oc12 97374132 WQVVTDRDCNMQTH-GFCCVEGCSA-N 314.385 4.287 0 40 DIAB Cc1nc(C2=C(O)CN(c3ccc(Cl)cc3)C2=N)sc1C 102731593 DNBIAVTZFQTVBD-UHFFFAOYSA-N 319.817 4.180 0 40 DIAB Clc1ccc([C@@H](N[C@@H]2C[C@H]3CC[C@H]2O3)C2CC2)cc1Cl 108373393 ARHWSQONRPKMJL-MPESAESLSA-N 312.240 4.354 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1C 223471595 KSRCKMFVYCRXOX-SJORKVTESA-N 311.425 4.257 0 40 DIAB C[C@@H]1CCCN(c2cc(C(F)(F)F)c3cccc(N)c3n2)C1 685938305 QEVDSMVJLHRRGQ-SNVBAGLBSA-N 309.335 4.072 0 40 DIAB COc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 543832 QMOKNBPLCPRUGS-UHFFFAOYSA-N 322.412 4.422 0 40 DIAB CC(C)N1CC[C@H](CC(O)(c2ccccc2)c2ccccc2)C1 1628103 MBVRSTMYIZMMCP-GOSISDBHSA-N 309.453 4.043 0 40 DIAB O=C(c1cccc(CN2CCC2)c1)c1ccc(Cl)c(Cl)c1 2515142 MRYKAJVKASFLBB-UHFFFAOYSA-N 320.219 4.430 0 40 DIAB Cc1ccc(C)c(OCCC(=O)N[C@H]2CCCc3ccccc32)c1 2635624 GMJYEMLUAZIESS-IBGZPJMESA-N 323.436 4.266 0 40 DIAB Cc1ccccc1CN1CCc2c(OCC(C)C)cccc2C1=O 2716565 GGEVWHJJOKYLCL-UHFFFAOYSA-N 323.436 4.228 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)CN1c2ccccc2C[C@@H]1C 3327563 DBFUDIISNJBBNV-ZDUSSCGKSA-N 304.393 4.110 0 40 DIAB O=C(Nc1nc2ccccc2s1)c1cc2c(s1)CCC2 3435325 FLPIMBZXQCEJCH-UHFFFAOYSA-N 300.408 4.099 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 3553583 DXAJHWILMUCRHP-CYBMUJFWSA-N 313.397 4.470 0 40 DIAB CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(C)O 4162263 LDCYUQWOTSEZCL-DOIPELPJSA-N 309.453 4.486 0 40 DIAB Cc1oc2ncnc(Nc3ccc(Br)cc3)c2c1C 5352242 QKOIQYULUKDHTQ-UHFFFAOYSA-N 318.174 4.346 0 40 DIAB C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc2ccccc2c1 5866499 OFIWYNDHIYRVIK-AWEZNQCLSA-N 323.367 4.235 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@@]2(C)O 6932960 XYSMGHMDSVPTRB-PPBXVHSOSA-N 302.458 4.269 0 40 DIAB biogenic CC(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 7402239 XIUNRCJZEMMSHU-UHFFFAOYSA-N 309.818 4.264 0 40 DIAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1Cl 7601531 UAPCPJXNJPKVEG-UHFFFAOYSA-N 316.817 4.005 0 40 DIAB CC(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)cc1 8042417 PFIKMGHCGFPXMQ-UHFFFAOYSA-N 322.433 4.037 0 40 DIAB CCOC(=O)c1ccc(-c2ccc(CNC(C)(C)C)o2)cc1 8253093 UNZBMNPMLSCKNN-UHFFFAOYSA-N 301.386 4.011 0 40 DIAB c1cc2c(cc1-c1csc(NC3CCCC3)n1)OCCCO2 8295853 LFOWDMVNZFUTHX-UHFFFAOYSA-N 316.426 4.326 0 40 DIAB Cc1cc(C(F)(F)F)c2c(NC/C=C/c3ccco3)n[nH]c2n1 12115922 ZMSWIDRAYBQZFU-DUXPYHPUSA-N 322.290 4.003 0 40 DIAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@@H]1CC=CCC1 12520602 ZAIFHKAJFAWUQO-CQSZACIVSA-N 323.421 4.358 0 40 DIAB CSc1ccc(-c2csc(NC3CC3)n2)cc1NC(C)=O 12797740 JYYDMFINYFOXLB-UHFFFAOYSA-N 319.455 4.065 0 40 DIAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1C 13018045 DGKVJIWHEQVHHH-MDZDMXLPSA-N 314.410 4.057 0 40 DIAB Cc1cc([C@H](O)c2ccccn2)c2cc(Cl)cc(Cl)c2n1 13281541 VZTZVUZOESWIOE-INIZCTEOSA-N 319.191 4.327 0 40 DIAB C[C@H](SCc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 13670528 WSBZSNCRYMYDFS-CABCVRRESA-N 311.450 4.286 0 40 DIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccs1 14241515 FHTUKZZQIWOMMJ-NSHDSACASA-N 309.843 4.368 0 40 DIAB C[C@@H](N[C@H](C)c1cccnc1)c1ccc(Br)cc1 20127544 JWRVWFSOKODUGN-VXGBXAGGSA-N 305.219 4.256 0 40 DIAB CCc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1 22254985 WLWPLJMZOAZRSA-UHFFFAOYSA-N 314.385 4.179 0 40 DIAB O=C(/C=C/c1cc2ccccc2o1)NCc1ccccc1Cl 26067793 JGHMSFQCJFVKBU-MDZDMXLPSA-N 311.768 4.416 0 40 DIAB Cc1ccc(Oc2ccccc2NC(=O)CNC(C)(C)C)cc1 36391252 YLXSNSRLSDOOON-UHFFFAOYSA-N 312.413 4.114 0 40 DIAB COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C=O)c1 37022000 KRXQUVLGUDZKMQ-UHFFFAOYSA-N 311.164 4.394 0 40 DIAB CC(C)CN(CC(F)(F)F)C(=O)N[C@H](C)c1ccc(F)cc1 40150035 ANNXUYXMPICHKX-LLVKDONJSA-N 320.330 4.117 0 40 DIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CCCCCCC1 44880606 YOUADNOTLZQDKF-GOSISDBHSA-N 319.445 4.082 0 40 DIAB Cc1noc([C@@H](C)Nc2ccc(N(C)Cc3ccccc3)cc2)n1 56205361 KRXBSELZTANPNL-CQSZACIVSA-N 322.412 4.188 0 40 DIAB CCOc1cccc([C@@H](C)NC(=O)C(C)(C)c2ccccc2)c1 60183553 ZOIPSSUJNZELRQ-OAHLLOKOSA-N 311.425 4.240 0 40 DIAB O=C(O)c1sccc1CCc1cccc(C(F)(F)F)c1 64220303 JGMHLBXTMXCKKV-UHFFFAOYSA-N 300.301 4.250 0 40 DIAB CN(C(=O)c1ccccc1)[C@H](c1cccc(F)c1)c1ccccn1 69811534 RCDOZTOHMUTYFL-LJQANCHMSA-N 320.367 4.082 0 40 DIAB O=C(c1ccccc1)c1nc(-c2cc(F)ccc2F)cs1 71139848 WSFYHYINNSZWLF-UHFFFAOYSA-N 301.317 4.319 0 40 DIAB C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)cccc1Cl 75107183 ILMOLADZJLPHSM-TZMCWYRMSA-N 317.791 4.497 0 40 DIAB Cc1c(C(=O)N2CCCCC[C@H]2CC(C)C)cnn1C(C)C 92467478 YCWLMTHRHBFDCY-INIZCTEOSA-N 305.466 4.203 0 40 DIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCc2sccc2C1 95947110 CXVJIZCYDUPJAF-ZDUSSCGKSA-N 324.449 4.167 0 40 DIAB Cc1noc(C)c1CCCN[C@H]1CCSc2ccccc21 95969131 ZHJRLHNEVOUQKL-INIZCTEOSA-N 302.443 4.051 0 40 DIAB CCCCn1c2ccc(C(C)(C)C)cc2c2nnc(S)nc21 96319321 IJFPGQMJLSHWGA-UHFFFAOYSA-N 314.458 4.366 0 40 DIAB CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 103804416 YOOZJCQOKJTRAA-MDWZMJQESA-N 308.377 4.415 0 40 DIAB O=C(C1CCC1)N1CCS[C@@H](c2ccccc2Cl)CC1 206994317 UAAPVXSBVQSEJN-OAHLLOKOSA-N 309.862 4.147 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CCc1nc2cc(C)ccc2o1 224946720 UQWVRWIZJRYYIV-OAHLLOKOSA-N 316.445 4.401 0 40 DIAB CCCCNC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225259855 IGBRAQVAHGWART-UHFFFAOYSA-N 307.397 4.068 0 40 DIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225613087 LZGXFRGBXKYGEA-LJQANCHMSA-N 319.445 4.460 0 40 DIAB Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](CCCCO)C2 256052133 MANYOEBQAYAWSE-HNNXBMFYSA-N 319.445 4.071 0 40 DIAB Oc1cccc(OC(F)(F)C(F)(F)c2ccc(F)cc2)c1 1083811007 LLLHPSYBOVHBAB-UHFFFAOYSA-N 304.214 4.295 0 40 DIAB O=C(CCNc1ccc(OC(F)(F)F)cc1)c1cccs1 93649 DYQKZPIRCTUGTF-UHFFFAOYSA-N 315.316 4.332 0 40 DIAB COC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 148935 OQYGAWVGXRDZHE-UHFFFAOYSA-N 324.405 4.009 0 40 DIAB Cc1ccccc1CSCC(=O)NCc1ccccc1Cl 260450 SMZGHHUGEMPNLR-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB CCCCC/C(=C/c1ccccc1)[C@@H]1OC[C@H](COCC)O1 1676090 PDGKGFLQMGPRLF-RCJGQPJSSA-N 304.430 4.428 0 40 DIAB CCOC(=O)c1ccccc1C(=O)CCc1c(C)cccc1C 2517585 KEXXPYKICBJTDP-UHFFFAOYSA-N 310.393 4.296 0 40 DIAB CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 2527186 UGKNVKLWKSPWPH-UHFFFAOYSA-N 323.820 4.170 0 40 DIAB in-vitro COc1ccc(C(=O)Nc2ccc3c(c2)N[C@@H]2CCCC[C@@H]32)cc1 4053781 LBDJUXTWZRBICZ-FUHWJXTLSA-N 322.408 4.399 0 40 DIAB CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C[C@@H](O)C[C@H]12 4946306 YHLRRRCAVBZXEW-YLLORCDKSA-N 300.442 4.302 0 40 DIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]ncc2c1 6161187 FLAWUCQUKKQFML-UHFFFAOYSA-N 320.274 4.226 0 40 DIAB CCCCC1=N[C@@H]2Sc3c(OC)ncnc3[C@@H]2C2=C1CCC2 6309914 HYHRKZCFCQWYHI-SUMWQHHRSA-N 315.442 4.126 0 40 DIAB O=C(CSc1cnc2ccccc2n1)c1ccc(Cl)cc1 6403027 VATZTDTTWFRMSQ-UHFFFAOYSA-N 314.797 4.258 0 40 DIAB CCSc1nnc(NC(=O)c2ccc(C(C)C)cc2)s1 7986763 RNTDETMXLXDGIV-UHFFFAOYSA-N 307.444 4.026 0 40 DIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1Cl 8320394 KUZQMODUFQSRKN-AWEZNQCLSA-N 320.845 4.177 0 40 DIAB CC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)cc(C)c3o2)c1 10119478 HLKXCQBXBWATQW-UHFFFAOYSA-N 310.353 4.084 0 40 DIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(C)(C)C)cc1 12030677 VSYJXANMHTURJK-UHFFFAOYSA-N 311.381 4.243 0 40 DIAB Cc1ccc(CNC(=O)c2oc3ccc(F)cc3c2C)cc1F 12487946 QFBUSMYUZLCDEV-UHFFFAOYSA-N 315.319 4.258 0 40 DIAB ClC1(Cl)C[C@@H]1CSc1nc(CCC2CCCC2)n[nH]1 12745785 OKNWDCPYOUHEKH-SNVBAGLBSA-N 320.289 4.213 0 40 DIAB Cc1ccccc1CNC(=O)c1ccc(-c2ccccc2)nc1C 12764445 VIHLXZPDYCTABH-UHFFFAOYSA-N 316.404 4.295 0 40 DIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 12780099 SDJIPEMPBMOLKX-CQSZACIVSA-N 322.408 4.284 0 40 DIAB COc1ccc(CN(C(=O)Nc2cccc(C)c2)C2CC2)cc1 12923595 KKEBEYMREBPNTB-UHFFFAOYSA-N 310.397 4.200 0 40 DIAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 13020578 IWIQKLNVQHAVCR-NSHDSACASA-N 317.458 4.108 0 40 DIAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC=O)CC[C@H]12 13406881 ZQSXNBHXKJQHBH-AAUPXZFASA-N 318.457 4.140 0 40 DIAB biogenic CC[C@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 15423053 YLTXTMVVPZMORB-AWEZNQCLSA-N 321.442 4.161 0 40 DIAB COc1ccc(SCC(=O)NC2CCCCCCC2)cc1 15519600 NEETUWCXHYLLMO-UHFFFAOYSA-N 307.459 4.016 0 40 DIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 19931408 CCMWITCSIJMVPL-DYVFJYSZSA-N 317.816 4.375 0 40 DIAB C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(F)cc1 20106647 MMKBUVKMZXTMPJ-LBPRGKRZSA-N 321.392 4.075 0 40 DIAB COc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1F 20362845 QGNVNRRVGGCOPK-UHFFFAOYSA-N 304.704 4.465 0 40 DIAB CCN(C(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 28288334 LMEZOWWDHCGTCU-UHFFFAOYSA-N 322.364 4.017 0 40 DIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C)c1 30870100 UVCSUPHRVVAKPL-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB C[C@H](CNC(=O)CCCc1nc2ccccc2o1)c1ccccc1 32042223 XLPWJFLRPXDPGA-OAHLLOKOSA-N 322.408 4.070 0 40 DIAB O=C(CCc1cccs1)Nc1ccccc1N1CCCCC1 32674176 PQEGQZJHPUOOCH-UHFFFAOYSA-N 314.454 4.310 0 40 DIAB CCC(C)(C)NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 32967787 CQBDKGHDDMKWCV-UHFFFAOYSA-N 320.433 4.100 0 40 DIAB CCc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 36632716 GLEDECBPKLTLJP-UHFFFAOYSA-N 319.408 4.304 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 38833386 NTCYHJWWOQSGPU-LJQANCHMSA-N 322.452 4.154 0 40 DIAB CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ccco1 40103342 ALVBEQASRYCCTJ-UHFFFAOYSA-N 306.793 4.380 0 40 DIAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(OC(C)C)cc1 45889429 IMPYSADJMTWFQP-UHFFFAOYSA-N 312.413 4.179 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1cc(C)ccc1C 53521459 OXSBBYDEERMAPW-UHFFFAOYSA-N 314.454 4.189 0 40 DIAB FC(F)(F)[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 57869469 ODQWLYVJKMJOCX-CYBMUJFWSA-N 310.319 4.116 0 40 DIAB CC(C)CN1CCC[C@@H]1c1cccnc1OCc1ccccc1 72212082 TYVXZFGEZRCVSG-LJQANCHMSA-N 310.441 4.454 0 40 DIAB c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCCC2)cc1 72216008 LDLJLIJBAIQHOG-HXUWFJFHSA-N 321.468 4.409 0 40 DIAB CC(=O)Nc1cccc([C@H](C)N[C@@H]2CSc3ccccc32)c1 95419639 ULRGCDJWYHJUOE-YVEFUNNKSA-N 312.438 4.143 0 40 DIAB CC(=O)Nc1cccc([C@H](C)N[C@H]2CSc3ccccc32)c1 95419641 ULRGCDJWYHJUOE-SJCJKPOMSA-N 312.438 4.143 0 40 DIAB Cc1cc(Br)ccc1C(=O)c1cc(F)ccc1C 95917036 UYTRMDSTMNEDPW-UHFFFAOYSA-N 307.162 4.436 0 40 DIAB CCn1nc(C)c([C@@H](C)NCCc2c[nH]c3cc(C)ccc23)c1C 95967570 GUUHHCCTMORQFJ-CQSZACIVSA-N 324.472 4.203 0 40 DIAB COc1ccc([C@H](C)N(C)Cc2ccc(-n3ccnc3)cc2)cc1 101544025 SAUNJAVYPWJNFV-INIZCTEOSA-N 321.424 4.074 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1C 224433489 DKZKYAYHSWOERM-SJORKVTESA-N 305.462 4.485 0 40 DIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225613117 LZGXFRGBXKYGEA-IBGZPJMESA-N 319.445 4.460 0 40 DIAB COc1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225656161 UUCBPTJQIGYKII-UHFFFAOYSA-N 313.397 4.388 0 40 DIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(Cl)c1 225733034 USTMPHLAHOIXNV-INIZCTEOSA-N 313.825 4.273 0 40 DIAB C[C@H]1CCCN(C(=O)c2ccc(-c3cc(N)ccc3Cl)o2)C1 226304995 JBKCLSCEBDRATM-NSHDSACASA-N 318.804 4.054 0 40 DIAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(F)s1 252478831 AVPYVBUGOSDNAG-UHFFFAOYSA-N 304.371 4.263 0 40 DIAB COc1ccc2ccccc2c1C(=O)C(Cl)(Cl)Cl 575358140 ALIRFWJEZIEQFL-UHFFFAOYSA-N 303.572 4.401 0 40 DIAB CCCC(=O)N(c1nnc(-c2cccc(C)c2)s1)C(C)C 1345444 KZFQMXAZLMKXTC-UHFFFAOYSA-N 303.431 4.055 0 40 DIAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 3191641 WVJIXLNZIMOQCA-CXAGYDPISA-N 307.397 4.080 0 40 DIAB O=C(O)CC1(CC(=O)Nc2ccc(Cl)cc2)CCCCC1 3254219 HTLXKIYUHHJLJD-UHFFFAOYSA-N 309.793 4.094 0 40 DIAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(C)C)cc1 4133105 PMCPFDDYQLLDOP-ICSRJNTNSA-N 322.408 4.221 0 40 DIAB CCCc1nnc2c3ccccc3c(-c3ccc(C)cc3)nn12 5243654 RRLOXUHLHQWSHX-UHFFFAOYSA-N 302.381 4.205 0 40 DIAB COc1ccc(NC(=S)Nc2cccc3cccnc23)cc1 6583975 HPLSSZYBQPRZCJ-UHFFFAOYSA-N 309.394 4.052 0 40 DIAB Cc1ccccc1OCCCCn1c(C=O)nc2ccccc21 6607711 IQBRYTZZHXGLCA-UHFFFAOYSA-N 308.381 4.016 0 40 DIAB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1Cl 6866134 KBEOSHCOQCYATP-MDWZMJQESA-N 303.770 4.054 0 40 DIAB Cc1ccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1 7902996 LVUQQDJSXXATQJ-UHFFFAOYSA-N 306.409 4.099 0 40 DIAB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(C)cc1 8162959 FJDDVOFNPGGTHA-KAUXGEHWSA-N 309.409 4.284 0 40 DIAB CCC[C@H](N[C@@H](C)C(=O)Nc1ccccc1F)c1ccccc1 12569530 CHHDCMJGHBBNQU-YOEHRIQHSA-N 314.404 4.284 0 40 DIAB CCc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)sc1C 12935729 RFRNAGCMKGYAFU-UHFFFAOYSA-N 303.471 4.318 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCCc2ccccc21 20112011 MJFVTAUYCLLVRV-PMACEKPBSA-N 323.436 4.346 0 40 DIAB FC(F)(F)c1nc(Cl)c2cc(Br)ccc2n1 21953410 JZFWFSWPWLDAII-UHFFFAOYSA-N 311.488 4.065 0 40 DIAB Cc1nc2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2s1 22254933 UHHITFSKEITDQO-UHFFFAOYSA-N 322.311 4.274 0 40 DIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1 22567512 DKFLYQNALUGHDV-UHFFFAOYSA-N 323.342 4.484 0 40 DIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)C1(C)C 23763300 YAUAFGPTXQMMON-RISCZKNCSA-N 315.442 4.315 0 40 DIAB Cc1ccc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 30644366 IATBQHMMQRNPDI-IBGZPJMESA-N 323.415 4.055 0 40 DIAB C=C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 34620327 RMPSAKFDHYAEEX-UHFFFAOYSA-N 314.740 4.063 0 40 DIAB COC(=O)c1cc(Nc2ccc(C)cc2)c2cccc(C)c2n1 38487125 VXIZGLVXKYBXGP-UHFFFAOYSA-N 306.365 4.382 0 40 DIAB O=C(CCc1cccs1)N1CCCSc2ccccc21 40162103 MOVMFADUVKCYFY-UHFFFAOYSA-N 303.452 4.210 0 40 DIAB CCOc1ccccc1CNC(=S)Nc1cccc(Cl)c1 53521479 BLGCGKNNDAROGQ-UHFFFAOYSA-N 320.845 4.225 0 40 DIAB O=C(CCc1ccccc1F)Nc1ccccc1C(F)(F)F 60515730 TXNRGJNEPVAWKX-UHFFFAOYSA-N 311.278 4.416 0 40 DIAB Cc1cc2nc(-c3ccc(Br)c(N)c3)[nH]c2cc1C 70461506 KLLXECLXPIDDLB-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(F)cc2F)S1 71287250 IUWPDRYFJGQNOT-CYBMUJFWSA-N 323.368 4.334 0 40 DIAB c1ccc(CN2CCCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 72215948 GTWVOMKEKDIKRC-HXUWFJFHSA-N 321.468 4.409 0 40 DIAB Cc1ncsc1CC[S@](=O)c1ccc(Cl)c(Cl)c1 95964706 KYSDCCODDBVQSG-GOSISDBHSA-N 320.266 4.109 0 40 DIAB C[C@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CCCC1 96656535 ANYBTPGWEVZQQA-INIZCTEOSA-N 305.421 4.476 0 40 DIAB Nc1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 119133837 KELCMJZJHKGWQN-UHFFFAOYSA-N 312.756 4.435 0 40 DIAB Cc1ccc(C(=O)NCCSc2ccccc2)c(Cl)c1 192306626 CCPOGBJKNPTSII-UHFFFAOYSA-N 305.830 4.171 0 40 DIAB Cc1ccc(N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 219848077 ZHTWQHZSIFRSDC-QGZVFWFLSA-N 322.452 4.089 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCC1=CCCCC1 222952268 KFWGEOSAOAFISO-GOSISDBHSA-N 315.457 4.468 0 40 DIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1F 223843357 KWNPJEKEGNTRNN-CYBMUJFWSA-N 313.372 4.111 0 40 DIAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608688 QBPUYXZPCLFSMW-LJQANCHMSA-N 321.461 4.482 0 40 DIAB CCCCOc1cccc(C(=O)Nc2cccc([C@@H](C)O)c2)c1 226274378 RNJPQGYFDOELIO-CQSZACIVSA-N 313.397 4.171 0 40 DIAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226355814 HBTVXMSHXAPAEO-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB COc1ccc2c(c1)CCc1sc(Nc3cccc(C)c3)nc1-2 408898003 JROINEZOEPJORJ-UHFFFAOYSA-N 322.433 4.969 0 40 DIAB Cc1ccc2c(c1)N(C(=O)c1cccc(-n3cccc3)c1)CCC2 517650279 IQIPZYFCKJXLQC-UHFFFAOYSA-N 316.404 4.379 0 40 DIAB Cc1ccc(F)cc1CNc1ccccc1N=S(C)(C)=O 585137353 UJCXWDZUUUYJNZ-UHFFFAOYSA-N 306.406 4.105 0 40 DIAB Cc1ccc(Oc2ccc(F)cc2OCCN2CCCC2)cc1 585265603 UTEAAFVAMAWPGJ-UHFFFAOYSA-N 315.388 4.401 0 40 DIAB COc1cccc(OC(F)(F)C(F)(F)c2ccccc2)c1 1083810994 KDIQHVBQQLCZLF-UHFFFAOYSA-N 300.251 4.459 0 40 DIAB CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)C3CC3)c2)OCC1(C)C 117987 DEVCZLMVNZTDTN-FUHWJXTLSA-N 317.429 4.131 0 40 DIAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 578699 VOFXPWMQUMRHQJ-UHFFFAOYSA-N 321.376 4.343 0 40 DIAB CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCCN)cc1 1591273 OPCKIVCLTXGHRZ-UXHICEINSA-N 313.441 4.417 0 40 DIAB CC(C)C(=O)n1nc(-c2cccs2)c2c1-c1ccccc1C2 2539532 LTGOPBDCYHBIFG-UHFFFAOYSA-N 308.406 4.479 0 40 DIAB CCc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccco3)C2)cc1 4306568 FUINCXPYDQMIIR-KRWDZBQOSA-N 310.397 4.176 0 40 DIAB COc1cccc(NC(=S)N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 5550865 HEEYGXFJGHYMPM-OCCSQVGLSA-N 306.475 4.196 0 40 DIAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)c1 5730445 DPSCFVQXHPUTOI-UHFFFAOYSA-N 323.421 4.064 0 40 DIAB O=C(CSCc1ccccc1)Nc1cccc2ncccc12 5773805 XHVSZQVFXXOZAA-UHFFFAOYSA-N 308.406 4.107 0 40 DIAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC)cc1 7886668 ZJNBEUJLSYKMGC-LJQANCHMSA-N 324.424 4.452 0 40 DIAB CCCN(CCC)Cc1c(C)nc2ccc(CC)cc2c1O 8714066 RRFCRHIJURKQEG-UHFFFAOYSA-N 300.446 4.433 0 40 DIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCc2ccccc21 13015823 DRGGSQKYFLOXFM-MRXNPFEDSA-N 319.326 4.052 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 13710624 FSIQNXCFGAMFJE-CQSZACIVSA-N 317.816 4.041 0 40 DIAB CC(=O)c1ccc(-c2ccccc2NC(=O)c2ccccn2)s1 14113065 KAQYWCBAMXIXMO-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB CCOc1ccc(NC(=O)c2ccccc2C)c2cccnc12 15840728 PWOVKDLTMPELRP-UHFFFAOYSA-N 306.365 4.194 0 40 DIAB O=C(Nc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F 18253844 NOKRPKYRSAGAGM-UHFFFAOYSA-N 301.214 4.236 0 40 DIAB C/C=C/C=C/C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 24505420 GPFLYRGYUZSYHM-COBAKMAKSA-N 301.386 4.087 0 40 DIAB Cc1c(-c2ccc(Cl)cc2)nc2sc(C(=O)O)c(C)n12 33418065 QSZFQEVXLQTBMB-UHFFFAOYSA-N 306.774 4.031 0 40 DIAB CC(C)CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 57692840 UGOHHZZBWXHYKA-LJQANCHMSA-N 306.409 4.338 0 40 DIAB CCN(CC)C(=O)CSCc1ccc(Cl)c(Cl)c1 59323031 HIJNGITWUKQAQN-UHFFFAOYSA-N 306.258 4.095 0 40 DIAB CC(C)c1nn(-c2ccccc2)cc1CNCCc1ccccc1 70006036 LYFQVCXTTOMPGK-UHFFFAOYSA-N 319.452 4.328 0 40 DIAB CC(C)(C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 70461141 UTRWTYKOWAWHQS-MRXNPFEDSA-N 317.816 4.406 0 40 DIAB CCOc1ccc2nccc(Nc3cccc(C(=O)O)c3)c2c1 72237227 NEXNKZJEONZLLZ-UHFFFAOYSA-N 308.337 4.075 0 40 DIAB Nc1ncc(-c2cn(-c3ccccc3)nc2-c2ccccc2)s1 72238821 DUTACLGYIJDTFC-UHFFFAOYSA-N 318.405 4.245 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 88085394 ZOTPLDIWLRNWQI-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CC(C)[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918483 CUCWGDHAZJRWLB-GFCCVEGCSA-N 321.364 4.190 0 40 DIAB CC[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccncc1 97017076 FMCKBCIIHZGDEY-HNAYVOBHSA-N 323.440 4.010 0 40 DIAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@H]2C[C@H]1CCCC[C@]13O4 100601167 GMYSGDXPXKUMOX-JUSAMEGKSA-N 318.457 4.131 0 40 DIAB C[C@@H]1C[C@@H](C)CN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 106544685 AXCDKTZXGSMHMO-JHJVBQTASA-N 319.836 4.429 0 40 DIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223207460 WBVZTJONLBNWSY-HZPDHXFCSA-N 323.436 4.128 0 40 DIAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 263606555 QZPGVFRDAIWANC-WNKKEMDESA-N 318.457 4.140 0 40 DIAB CCCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)O 92323 YAGOTBUSCJEQQF-UHFFFAOYSA-N 319.426 4.071 0 40 DIAB CCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 365516 LKJJABBYSPFHGF-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB O=C1N[C@H](c2cccc(Oc3ccccc3)c2)Nc2ccccc21 483575 VSCOFHPRXFGWAC-LJQANCHMSA-N 316.360 4.333 0 40 DIAB c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1 509842 NZWWYUMFUATSTK-UHFFFAOYSA-N 312.376 4.304 0 40 DIAB in-vivo CCN(CC)CCC[C@H](C)Nc1cc(F)cc2cccnc12 1673363 HKYFPDWAVXLTMJ-AWEZNQCLSA-N 303.425 4.296 0 40 DIAB Cn1ncc(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1 2771013 VQDXMUUEUNXXPC-UHFFFAOYSA-N 323.868 4.181 0 40 DIAB Cc1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3230434 XYVAMAFYYSIGNL-UHFFFAOYSA-N 302.377 4.284 0 40 DIAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCCc2ccccc21 3328904 PNWYRMITOWQCOW-ZDUSSCGKSA-N 315.800 4.087 0 40 DIAB Clc1ccc2nc(-c3ccc(Br)s3)cn2c1 4003185 CFGPYJKNIUPURR-UHFFFAOYSA-N 313.607 4.479 0 40 DIAB aggregator Cc1ccc(-c2ccc(C(=O)NCc3ccco3)o2)cc1Cl 4504569 NIFKWOPZZTVZMR-UHFFFAOYSA-N 315.756 4.431 0 40 DIAB CCCOc1ccc([C@@](O)(CCC)CCN2CCCCC2)cc1 4716296 SROKXKMTKYUSNU-HXUWFJFHSA-N 319.489 4.339 0 40 DIAB COc1cc(OC)c(/C=C\c2nccc3ccccc23)c(OC)c1 4774266 XMKKKMCYMNVTFD-HJWRWDBZSA-N 321.376 4.431 0 40 DIAB CC[C@@H](c1ccccc1)c1nn2c(-c3ccoc3C)nnc2s1 4938973 DVPORPRRRZYFAY-ZDUSSCGKSA-N 324.409 4.296 0 40 DIAB C[C@H](NC(=O)Nc1cccc2ccccc12)[C@@H](O)c1ccccc1 6851026 SIYQECJNYRMVSG-IFXJQAMLSA-N 320.392 4.083 0 40 DIAB COc1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc1 7558704 HGFCDPLVQAWHMM-UHFFFAOYSA-N 320.845 4.144 0 40 DIAB O=C(O)CC/C(=C\c1cccnc1)c1nc2ccccc2s1 7587357 NEXZKOYNJBACDH-JLHYYAGUSA-N 310.378 4.097 0 40 DIAB C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1cccnc1 8026647 UNEZOSNKVYEATM-HNNXBMFYSA-N 318.376 4.365 0 40 DIAB COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cn1 8077921 IAZSPPBSYQNXPM-INIZCTEOSA-N 318.804 4.122 0 40 DIAB Cc1cccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 10447465 HDGIJGSWMYRDIN-ZDUSSCGKSA-N 319.857 4.445 0 40 DIAB CSc1nc(C(C)C)nc(C)c1C(=O)NC1CCCCCC1 12823664 QSIIMGAGFCTAJB-UHFFFAOYSA-N 321.490 4.083 0 40 DIAB O=C(NCC1(c2cccs2)CCCC1)c1ccccc1F 13803121 AUBBTDGUWJDWTC-UHFFFAOYSA-N 303.402 4.129 0 40 DIAB Oc1ccc(CSc2nncc3ccccc23)c2cccnc12 16545125 IBIUYHUNPKNNAD-UHFFFAOYSA-N 319.389 4.176 0 40 DIAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 17054324 LRAPBFPMJIZJIN-UHFFFAOYSA-N 317.392 4.443 0 40 DIAB Cc1nc(NC(=O)c2cc3c(F)cccc3s2)sc1C 24042529 PTHGLLHZWOZNRL-UHFFFAOYSA-N 306.387 4.366 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3F)o2)o1 24068873 TVMUXCXOCFPVRG-UHFFFAOYSA-N 313.328 4.259 0 40 DIAB COc1ccc(NC(=O)c2ccc(C)o2)cc1OC1CCCC1 24505799 VBHOSUALYCZMDV-UHFFFAOYSA-N 315.369 4.170 0 40 DIAB Cc1noc(COc2ccc(Cl)cc2Cc2ccccc2)n1 24990692 LNFYDCJWWHGYPO-UHFFFAOYSA-N 314.772 4.201 0 40 DIAB Cc1nc(SCc2cccnc2)c2c(C)c(C)sc2n1 27772517 LEOMIZRXVLXBHS-UHFFFAOYSA-N 301.440 4.304 0 40 DIAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1F 36393418 PGDQRLNFFIHMKQ-OLZOCXBDSA-N 318.367 4.395 0 40 DIAB CN(C(=O)Nc1c(F)cccc1F)[C@H]1CCc2ccccc21 40525885 DFMIHRIMYCJQGJ-HNNXBMFYSA-N 302.324 4.116 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(C)cc1 44903835 JATUBNRLMQZNOK-SFHVURJKSA-N 311.425 4.119 0 40 DIAB CCSc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cn1 69370180 RZMIFHYHTFVQNB-GJZGRUSLSA-N 316.401 4.075 0 40 DIAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(OC)c1 69442753 QMCQBBXAQKCREE-QGZVFWFLSA-N 313.401 4.095 0 40 DIAB Cc1ccncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72211426 APPQREAJIJDCCI-GOSISDBHSA-N 310.397 4.254 0 40 DIAB CCO[C@@H](C)c1nc(Cn2cnc3cc(C)c(C)cc32)cs1 76695068 RAFYMCRBIAXCQG-ZDUSSCGKSA-N 315.442 4.255 0 40 DIAB FC(F)(F)C(F)(F)CCOc1cccc(Br)c1 95094052 WFPVDGZULDQKAA-UHFFFAOYSA-N 319.067 4.416 0 40 DIAB Fc1cc(Br)ccc1N1CCc2ccccc2C1 95915709 UVVHWYNNCRBMKI-UHFFFAOYSA-N 306.178 4.151 0 40 DIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 113946450 OTIJHTGCCARSKW-UHFFFAOYSA-N 319.351 4.280 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 223097032 LMUBWMZWWKFADQ-INIZCTEOSA-N 305.780 4.289 0 40 DIAB C[C@@H](O)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 226274226 MGVJFUFSISMSKK-SECBINFHSA-N 310.180 4.299 0 40 DIAB CCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260622373 TVLSOEYTFFFQEQ-CJNGLKHVSA-N 319.445 4.129 0 40 DIAB Nc1ccc(F)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250491 UNNJCMZFIIMGFV-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)CCC2 3373280 JXSWSVDKXNFZIS-UHFFFAOYSA-N 317.388 4.346 0 40 DIAB O=C1c2ccccc2C(=O)N1CSc1ccc2ccccc2c1 3382423 HJKLTMMCMPKDQZ-UHFFFAOYSA-N 319.385 4.186 0 40 DIAB COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 4696706 ZPGOQUZHRVSLML-UHFFFAOYSA-N 302.373 4.194 0 40 DIAB in-vivo N[C@@H]1Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2S1 4944086 INSSOXOZBWQOKI-GOSISDBHSA-N 318.405 4.143 0 40 DIAB Cc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 5156815 SSDXZDZCNWBVER-UHFFFAOYSA-N 322.389 4.116 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1 6509191 JWEGIWPDAKYNAQ-LLVKDONJSA-N 323.223 4.140 0 40 DIAB COc1ccc(N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 7223499 OHIOLYJOFILZLG-CQSZACIVSA-N 320.392 4.288 0 40 DIAB O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCC2 7888867 YRRGRZWCRICKAB-UHFFFAOYSA-N 316.198 4.190 0 40 DIAB CCn1c2ccccc2c2cc(NC(=O)c3ccccn3)ccc21 8406627 JNNQYWXJAOXNMN-UHFFFAOYSA-N 315.376 4.462 0 40 DIAB O=C(C[C@H]1C=CCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 9416822 RPUFEVQVGOBCRW-ZDUSSCGKSA-N 323.421 4.358 0 40 DIAB O=C(Nc1cccc(Cl)c1)c1cc2ccccc2c(=O)s1 12274433 CAZSAWCJPOXRDA-UHFFFAOYSA-N 315.781 4.167 0 40 DIAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1Cl 12770544 KARHPNVOVSESJH-ZDUSSCGKSA-N 302.805 4.209 0 40 DIAB Cc1noc(C)c1CN(C(=O)Cc1ccccc1)c1ccccc1 12877092 KVTMPJKYWYVGHF-UHFFFAOYSA-N 320.392 4.067 0 40 DIAB Cn1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 14899562 YJEHJODGPMYHEK-UHFFFAOYSA-N 317.801 4.054 0 40 DIAB CCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 20158416 NNZYBMIKPZVLBV-UHFFFAOYSA-N 310.353 4.329 0 40 DIAB Cc1ccc(CN(C)C(=O)c2ccccc2Br)cc1 20264767 AKRFIIASXYLHPB-UHFFFAOYSA-N 318.214 4.030 0 40 DIAB CCCCc1ccc(NC(=O)c2ccc3nsnc3c2)cc1 21595772 NVYROOYYFJVXAG-UHFFFAOYSA-N 311.410 4.286 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1 22500211 QPMSFZMUOCMBEH-ZIAGYGMSSA-N 315.438 4.053 0 40 DIAB COc1cccc(-c2cnn3c(-c4ccccc4)cc(C)nc23)c1 22607322 PZRAAKVYJDVZJQ-UHFFFAOYSA-N 315.376 4.380 0 40 DIAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 24692429 HTYNFFSBASMKJD-HNNXBMFYSA-N 320.392 4.156 0 40 DIAB O=C(Nc1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 36396281 KFPZAFVASSPROA-CQSZACIVSA-N 321.380 4.239 0 40 DIAB CCOc1cccc(C=O)c1OCc1ccc(F)cc1Cl 36986103 YEKPAEXEYHGOQL-UHFFFAOYSA-N 308.736 4.269 0 40 DIAB Cc1cc(F)ccc1NC(=O)NCCSCc1cccs1 40103544 DPCCHNBYIIXTLL-UHFFFAOYSA-N 324.446 4.251 0 40 DIAB O=C(c1ccc(F)c(F)c1)c1ccccc1OC(F)(F)F 55199302 FZVQJPIMETVHTJ-UHFFFAOYSA-N 302.198 4.094 0 40 DIAB O=C(Nc1ccc(F)c(F)c1)NC12CC3CC(CC(C3)C1)C2 57580761 RGRLWUFXPVNSNO-UHFFFAOYSA-N 306.356 4.055 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cnc(-c2ccccc2)nc1 67657795 PWJGGRTUGULJFS-UHFFFAOYSA-N 303.365 4.013 0 40 DIAB Clc1ccc2nc(SCc3noc(C4CC4)n3)oc2c1 69564754 ZPIHXLDLRCBKCY-UHFFFAOYSA-N 307.762 4.034 0 40 DIAB CC(C)c1csc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)n1 69581554 ZETYOEZTOWXOHE-LBPRGKRZSA-N 315.442 4.027 0 40 DIAB CC(C)CN1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214382 FGCXXWVYFFWQKM-HNNXBMFYSA-N 319.449 4.222 0 40 DIAB FC(F)(F)c1ccnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 74158119 RETXJQZFRSZBLX-JGVFFNPUSA-N 313.245 4.028 0 40 DIAB CCN(Cc1ccccc1)C1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100871112 FIKCKIVWJDRGEG-SBHAEUEKSA-N 312.501 4.162 0 40 DIAB CC(=O)N(C)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 129114011 IBNRFAZVNYYDCW-STQMWFEESA-N 314.351 4.202 0 40 DIAB O=Cc1cn(C(=O)OCc2ccccc2)c2cccc(Cl)c12 199813898 FRTHFFISZXWKRB-UHFFFAOYSA-N 313.740 4.292 0 40 DIAB CCCC[C@@H](CC)CNC(=O)CSCc1ccc(OC)cc1 223431888 JBJPMUIFBAUOTN-OAHLLOKOSA-N 323.502 4.261 0 40 DIAB Cc1ccnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c1 223909285 LOIJBYJWEPDQTM-UHFFFAOYSA-N 323.421 4.137 0 40 DIAB S=C(Nc1ccc(Oc2ccccc2)nc1)NC1CCCC1 224035995 IEPRIKNOHNFGDA-UHFFFAOYSA-N 313.426 4.103 0 40 DIAB CCCOc1c(Br)cc(C(C)(C)C)cc1C(=O)O 225283779 WHEHVFXAPUSAJL-UHFFFAOYSA-N 315.207 4.234 0 40 DIAB Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1C 225612020 WIQGNCVHVZOTLB-UHFFFAOYSA-N 318.214 4.247 0 40 DIAB CCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC)c(C)c1 225620552 LWTQHYWRQHGIIY-GOSISDBHSA-N 307.434 4.236 0 40 DIAB O=C(c1cc(Br)cs1)C(Cl)(Cl)Cl 307269344 MVPSAKOOXVKDCO-UHFFFAOYSA-N 308.411 4.064 0 40 DIAB CCc1nn(C)cc1N[C@H](C)c1cc(C)c(OC)c(Cl)c1 552053115 TWPHLHRKBDXXRZ-LLVKDONJSA-N 307.825 4.126 0 40 DIAB CCn1c(SCc2ccccc2)nnc1-c1cccs1 531192 FEEQPJWYSVCSDY-UHFFFAOYSA-N 301.440 4.319 0 40 DIAB O=c1[nH]c(-c2sc3ccccc3c2Cl)nc2ccccc12 793346 NEOWIAFKYRGSGX-UHFFFAOYSA-N 312.781 4.458 0 40 DIAB COc1cccc(CNc2ncc(-c3ccc(C)cc3)n2C)c1 819111 RZUBTZQIUMBCBY-UHFFFAOYSA-N 307.397 4.016 0 40 DIAB c1ccc(-c2cc3c(NCc4ccccn4)ncnc3s2)cc1 1465534 LXGIVTWCGCXBEL-UHFFFAOYSA-N 318.405 4.365 0 40 DIAB CCN1CCC2(CC1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2 1577622 HNPJXEXYTWKYEH-PMACEKPBSA-N 323.436 4.328 0 40 DIAB CCC[C@@H](C)C(=O)OCC(=O)c1ccc2cc(OC)ccc2c1 3240400 TWJXDJXZZOLMHV-CYBMUJFWSA-N 314.381 4.011 0 40 DIAB CCCCCc1c(C)c2ccc(OC(=O)CC)cc2oc1=O 4109579 PHGUTCFNIVJHCJ-UHFFFAOYSA-N 302.370 4.150 0 40 DIAB Cc1nc(Nc2cccc(C(=O)O)c2)c2oc3ccccc3c2n1 5243968 NORZKZDJAXJQSC-UHFFFAOYSA-N 319.320 4.126 0 40 DIAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cccc(Cl)c1 5467710 XGAMINBELZRLFP-KBPBESRZSA-N 311.853 4.440 0 40 DIAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(C)c(C)c2)n1 6810463 DKKSINYXNIKSQJ-UHFFFAOYSA-N 322.817 4.078 0 40 DIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 7917389 VNSZQMWAZVZYHW-UHFFFAOYSA-N 318.376 4.373 0 40 DIAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1cc2ccccc2o1 8239221 QGMUBSKAAKTKCZ-OAHLLOKOSA-N 323.392 4.306 0 40 DIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)nc1 8704722 YCUFOTMICFLFNB-UHFFFAOYSA-N 315.785 4.111 0 40 DIAB Cc1cc(NCCCCCCN)nc(-c2ccc(Cl)cc2)n1 8731100 VRZMCWUNDBVVBM-UHFFFAOYSA-N 318.852 4.036 0 40 DIAB Cc1ccc(F)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 9677884 QBUNPKAMHOLFIQ-MRXNPFEDSA-N 301.386 4.098 0 40 DIAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCCC5)(C4)C2)C3)cc1 14093763 AMTDHOJDCOQKRW-OTXOEQGISA-N 323.480 4.455 0 40 DIAB Cc1cc(C)cc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)c1 17054052 BPRKBOWBQDJRPM-UHFFFAOYSA-N 316.451 4.343 0 40 DIAB Cc1c(C(=O)OCc2cc(-c3ccco3)on2)oc2ccccc12 18954501 MGUFQWBCYIAPRM-UHFFFAOYSA-N 323.304 4.346 0 40 DIAB CC(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)c(C)nc1C 30874240 YVJJFHSVFKVERO-UHFFFAOYSA-N 318.380 4.102 0 40 DIAB Cc1ccc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 31851966 XXLVZEIQBCNJFQ-HNNXBMFYSA-N 311.450 4.061 0 40 DIAB C[C@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(F)cc1 40150019 QIRUGQNYVDIRFH-AWEZNQCLSA-N 312.388 4.265 0 40 DIAB CCNC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 40156496 AQRUYUIYGFWKNO-IBGZPJMESA-N 308.425 4.214 0 40 DIAB Cc1csc(CNC(=O)Nc2ccc(Cl)cc2Cl)n1 40525646 RQBVVMACPSPMJD-UHFFFAOYSA-N 316.213 4.080 0 40 DIAB CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)c2cccs2)n1 41122860 JQQLGKXYJRILJK-NWDGAFQWSA-N 319.430 4.012 0 40 DIAB C[C@H]1C[C@@H](C)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 41362961 ILCGTASCJZFVMQ-BETUJISGSA-N 304.821 4.473 0 40 DIAB CCOC(=O)c1cnc2c(C(C)C)cccc2c1N(CC)CC 62719801 VYIIENLPYSUHMS-UHFFFAOYSA-N 314.429 4.381 0 40 DIAB FC(F)(F)c1c(Br)cccc1Br 71792196 XNTHEEFOQJXUNF-UHFFFAOYSA-N 303.903 4.230 0 40 DIAB Cc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)cc23)nc1 72242855 CSEUCPZAMOSHRQ-UHFFFAOYSA-N 314.772 4.279 0 40 DIAB CCC(CC)N(CC(C)C)C(=O)c1cc2c(C)nn(C)c2s1 72312790 PBYBUATWPNLBII-UHFFFAOYSA-N 321.490 4.230 0 40 DIAB COc1ccc2nc(Nc3ccc(OC)c(F)c3)sc2c1 89065170 BBZDBZXCULTQPH-UHFFFAOYSA-N 304.346 4.196 0 40 DIAB CCCC[C@@H](CC)C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 95418242 LMKLPCFMDRXSKF-ZIAGYGMSSA-N 307.409 4.120 0 40 DIAB CCOc1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1Cl 224851527 JGFMMVFIXGGOAQ-UHFFFAOYSA-N 317.816 4.319 0 40 DIAB Fc1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1 225547388 OYSRIELOICUAOA-UHFFFAOYSA-N 324.371 4.023 0 40 DIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225601195 VHCYSZLQLFTIBU-IBGZPJMESA-N 313.397 4.019 0 40 DIAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1)C1CC1 225670944 QALJHLOSIBCDMV-KUHUBIRLSA-N 319.445 4.398 0 40 DIAB Oc1nc([C@H]2CCC(F)(F)C2)nc2cc(C(F)(F)F)ccc12 253535166 UBPUNADLKLCZSK-ZETCQYMHSA-N 318.245 4.257 0 40 DIAB Cc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1Cl 35048 HPFRFLMCOHUOIY-UHFFFAOYSA-N 300.789 4.457 0 40 DIAB O=C(OC1(C(=O)Nc2ccccc2)CCCCC1)c1ccccc1 349586 YHBBRQBBCDHTRK-UHFFFAOYSA-N 323.392 4.185 0 40 DIAB CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 373768 YZOQLILJAIMJTQ-UHFFFAOYSA-N 315.829 4.233 0 40 DIAB CC(=O)[C@H]1C[C@H](CC(=O)Nc2cccc3ccccc23)C1(C)C 3102256 WXFDAEOCHFJGBI-NVXWUHKLSA-N 309.409 4.420 0 40 DIAB Cc1cc(OCCCC(=O)Nc2ccccc2)ccc1Cl 3480968 PMCXELRUBXVCFB-UHFFFAOYSA-N 303.789 4.446 0 40 DIAB COc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1OC 3566229 NKCUZYBBNREHAS-UHFFFAOYSA-N 323.751 4.057 0 40 DIAB CC(C)CCSc1nnc(-c2c[nH]c3ccccc23)n1C 4138333 YDOAZKYBFNFCOH-UHFFFAOYSA-N 300.431 4.102 0 40 DIAB CC1(C)C[C@H](NCC[C@@H](c2ccccc2)c2ccco2)CCO1 4834882 MTBSKVFOKRVVFD-MSOLQXFVSA-N 313.441 4.349 0 40 DIAB C[C@H](c1ccco1)N(C(=O)c1ccc(F)cc1)c1ccccn1 4869231 JUERKWWYIFOHDZ-CYBMUJFWSA-N 310.328 4.222 0 40 DIAB Cc1c(C(=O)OC2CCCCCCC2)[nH]c2c1C(=O)CCC2 4912841 ORLNVKJUGYRQTQ-UHFFFAOYSA-N 303.402 4.112 0 40 DIAB OC[C@H](O)COCCCCCCCCCCC[C@H]1C=CCC1 5600368 NRDAUYPIWGKTAJ-OALUTQOASA-N 312.494 4.223 0 40 DIAB CCOc1ccccc1NCc1cc(=O)oc2cc(C)ccc12 8024468 MSPVEMHUICWCBQ-UHFFFAOYSA-N 309.365 4.112 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccs2)cc1C 8324538 KZTYPOCLHSVLOS-CQSZACIVSA-N 315.438 4.205 0 40 DIAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)nc1Cl 8991961 JLLOZVOAQBUMHW-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB O=C(Nc1ccc2ncsc2c1)c1ccc2ncsc2c1 9472016 KALBFGVFXGEHFQ-UHFFFAOYSA-N 311.391 4.158 0 40 DIAB O=C(Nc1ccccc1O)c1cccc(OCc2ccccc2)c1 10472862 AHTLLBQVFDTKOO-UHFFFAOYSA-N 319.360 4.224 0 40 DIAB CCc1ccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 12493004 AVIKVOPLVWDNGE-UHFFFAOYSA-N 306.409 4.319 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C 13649127 WEFFWIGDPXKMCY-STQMWFEESA-N 315.800 4.085 0 40 DIAB Cc1ccc(-c2noc(CN(C)Cc3ccc(C)cc3C)n2)cc1 15308836 MAUDBLBHRYPHJQ-UHFFFAOYSA-N 321.424 4.294 0 40 DIAB CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccco1 15590248 RCJVUROBSKMEIM-AWEZNQCLSA-N 323.179 4.284 0 40 DIAB CCCOc1ccc(NC(=O)C(CC)CC)c2cccnc12 15841043 CJIYALGLIUNQJC-UHFFFAOYSA-N 300.402 4.398 0 40 DIAB CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1ccccn1 16755424 ZVHNOVYCEVUCEQ-UHFFFAOYSA-N 324.453 4.269 0 40 DIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)cc1 19931796 SHEFCKLDKNKYGR-WMZOPIPTSA-N 311.425 4.338 0 40 DIAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2F)cc1 20106913 BWZKGBPEUNVSEV-SFHVURJKSA-N 315.388 4.352 0 40 DIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCC(C)C 22246023 VTVGCDPLNSIDSS-UHFFFAOYSA-N 321.421 4.110 0 40 DIAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23954772 CTKVQCOIVDSSET-HOTGVXAUSA-N 323.436 4.210 0 40 DIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)C1(C)C 27881227 OVIPLKUVHGORGE-REWJHTLYSA-N 317.395 4.462 0 40 DIAB Cc1ccccc1CC(=O)Nc1cccc(CN2CCCCC2)c1 31620881 VUXKYHYJNUVURZ-UHFFFAOYSA-N 322.452 4.162 0 40 DIAB CC(=O)Oc1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 43209808 WLYADEPVHJQDIK-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 44901699 JKULXNQGTCSCPD-OAHLLOKOSA-N 307.752 4.275 0 40 DIAB Cc1ccc(CC(=O)Nc2cccc(-c3nc(C)cs3)c2)cn1 69367862 ITNNSTREIBSQCU-UHFFFAOYSA-N 323.421 4.003 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cnc(-c2ccccc2)nc1C 75437283 XBWWTOPUSNTKDI-UHFFFAOYSA-N 317.392 4.321 0 40 DIAB Cc1cnc([C@H](N[C@@H]2CCc3ccc(F)cc32)C2CC2)s1 95423341 YJBLNPFFWYQZFC-HZPDHXFCSA-N 302.418 4.319 0 40 DIAB O=C(NC[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(C(F)(F)F)c1 100934924 SZVLUONEASWAGO-IJLUTSLNSA-N 312.335 4.263 0 40 DIAB CO[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912576 YQVNELYVHGIKRR-KWQGSUNZSA-N 304.474 4.325 0 40 DIAB Cc1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 225387378 CMBGLIIQYFRHSF-UHFFFAOYSA-N 302.418 4.053 0 40 DIAB CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccccc1C 225732439 BQNJLBWBSCQIID-SFHVURJKSA-N 311.425 4.122 0 40 DIAB Cc1ccc(C)c(NC(=O)c2snnc2-c2ccccc2)c1 225758943 PGNMXJKEYRXOPX-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB COC(=O)CCCC(=O)c1cc(Cl)cc(Cl)c1Cl 575361427 DLZBNULDJYPYGI-UHFFFAOYSA-N 309.576 4.173 0 40 DIAB Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1Cl 387722 RXJRICPUUNYBRA-UHFFFAOYSA-N 314.772 4.028 0 40 DIAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(F)cc1 1340606 PMMNBVRWUAQIPP-UHFFFAOYSA-N 313.376 4.027 0 40 DIAB O=C(Nc1ccc(F)cc1F)C1=Cc2cc(Cl)ccc2OC1 1391481 RWUKYJWXDIDFSB-UHFFFAOYSA-N 321.710 4.033 0 40 DIAB Cc1nn2c(-c3cccs3)cc(C(F)(F)F)nc2c1Cl 1403911 DIZIFOYXWZSECA-UHFFFAOYSA-N 317.723 4.438 0 40 DIAB COc1cccc(CC(=O)Nc2ccc(SC(F)F)cc2)c1 2644945 QZQDOMSMRUVJJH-UHFFFAOYSA-N 323.364 4.191 0 40 DIAB C[C@@H]1CCc2cc3c(cc2N1)CC[C@@H](C)N3C(=O)c1ccccc1 3844775 YSFOORUETXTNPD-HUUCEWRRSA-N 320.436 4.415 0 40 DIAB biogenic CCCOc1ccccc1NC(=O)COc1ccc(CC)cc1 5937169 ARTZRVSDUKVDMS-UHFFFAOYSA-N 313.397 4.055 0 40 DIAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1 6396912 RQUGSDKZAPPHJL-UHFFFAOYSA-N 310.397 4.376 0 40 DIAB Cc1cccc(-n2c(=S)[nH]c3sc(C)c(C)c3c2=O)c1C 6566820 HDYSSEJGFNHLGW-UHFFFAOYSA-N 316.451 4.343 0 40 DIAB COc1ccc(Nc2cc(Nc3cccc(C)c3)ncn2)cc1 6793371 WGHCAYUGMFACEB-UHFFFAOYSA-N 306.369 4.281 0 40 DIAB Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 7584011 UXENMEZYXLRUJZ-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)cc1 8411454 SONMCSGGNNNWCE-UHFFFAOYSA-N 324.449 4.177 0 40 DIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(F)cccc2F)c1 15011292 OYZNDMAJUNOBIN-UHFFFAOYSA-N 319.351 4.414 0 40 DIAB CCOP(=O)(OCC)[C@](O)(CC)c1ccc(Cl)cc1 16611416 CXALBLXRMWYQHI-CYBMUJFWSA-N 306.726 4.161 0 40 DIAB COCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 18329668 HSZCYMFOENBFNL-UHFFFAOYSA-N 310.422 4.482 0 40 DIAB Cc1cnc(N2C(=O)[C@@H](C)S[C@@H]2c2cccc(Cl)c2)s1 19927572 PFXYOOGPKLQLML-NOZJJQNGSA-N 324.858 4.272 0 40 DIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OC 20104827 ZLSILNHNNNEGGL-OAHLLOKOSA-N 319.788 4.145 0 40 DIAB Clc1ccccc1-c1noc(-c2cc(-c3ccccc3)[nH]n2)n1 20721249 KXFCLESZGVAQAS-UHFFFAOYSA-N 322.755 4.447 0 40 DIAB Cc1cc(CN2CCc3sccc3[C@H]2c2cccs2)no1 24977161 RQJJBFNNBMBMET-INIZCTEOSA-N 316.451 4.254 0 40 DIAB COc1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 31943991 BFHXHPPKTGUAQK-UHFFFAOYSA-N 323.179 4.457 0 40 DIAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cn3)cs2)o1 33158724 KCTHXKFHAAFRFP-UHFFFAOYSA-N 319.773 4.012 0 40 DIAB Cc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)N2C)cc1 33305814 HTFCOEUXVITUGL-UYRXBGFRSA-N 320.436 4.241 0 40 DIAB CNCC[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1 39316143 DGDFMXSZLYHLAC-OAHLLOKOSA-N 309.331 4.435 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)c1cccc2ncccc12 40033560 FYNGNKZDYASOOJ-UHFFFAOYSA-N 310.784 4.160 0 40 DIAB Cc1ccccc1NCCC(=O)N(C)Cc1ccccc1Cl 40159468 KTMHRZLQOVBPSH-UHFFFAOYSA-N 316.832 4.109 0 40 DIAB O=C(Nc1ccc(Br)cc1Cl)NC1CCCC1 43420533 CVXWJCSSCSWKHF-UHFFFAOYSA-N 317.614 4.167 0 40 DIAB Cc1ccc(CNCc2cccc(Br)c2)cc1F 70160123 BNPAWWPGAIOYIK-UHFFFAOYSA-N 308.194 4.186 0 40 DIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CCC1 70692879 NFZNOEKWBKZIQQ-UHFFFAOYSA-N 322.383 4.139 0 40 DIAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)n1 72232464 RHLHWKQORXVBCT-JTQLQIEISA-N 310.806 4.065 0 40 DIAB C[C@H](NC[C@](C)(O)c1cccs1)c1cc2ccccc2o1 95968311 PLLXCXITFDWIDE-SJCJKPOMSA-N 301.411 4.053 0 40 DIAB O=C(NCc1cccc(Oc2ccccn2)c1)Nc1ccccc1 96382695 HCTKPKACDJOBEI-UHFFFAOYSA-N 319.364 4.196 0 40 DIAB CN(C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 103100218 ISEUBJSLQKQGJG-JDPPGYRCSA-N 303.833 4.227 0 40 DIAB COc1ccccc1CCCNC(=O)Nc1cccc(Cl)c1 222629088 GGDCLKVOTVOEMN-UHFFFAOYSA-N 318.804 4.103 0 40 DIAB Cc1cccc(NC(=S)NCCSC2CCCCC2)c1 225356027 MNUREVZSWKWCCG-UHFFFAOYSA-N 308.516 4.347 0 40 DIAB CNc1ccc2nc(-c3ccccc3Br)oc2c1 226270830 PFCUEWNWIHGYIF-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB CN(C(=O)c1ccc2cnncc2c1)c1ccc2ccccc2c1 408979200 PYDQUKZHZDLJCJ-UHFFFAOYSA-N 313.360 4.060 0 40 DIAB O=C(NCc1ccc(-c2ccsc2)o1)Nc1cccs1 575609827 HVGQQSHRAAUFGE-UHFFFAOYSA-N 304.396 4.391 0 40 DIAB CC1CCN(c2cc(C(F)(F)F)c3cccc(N)c3n2)CC1 685938578 WOLLHHZKFBLNHQ-UHFFFAOYSA-N 309.335 4.072 0 40 DIAB CC(C)C[C@@H](N)C1(c2ccc(Br)c(F)c2)CCC1 1772714962 RTFGSEVRUBIHHF-CQSZACIVSA-N 314.242 4.383 0 40 DIAB NCCc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 1908509091 FQHHXFNKCQFYKP-UHFFFAOYSA-N 315.214 4.099 0 40 DIAB CC(C)Cn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 541889 WLINBSXGMIDSQT-UHFFFAOYSA-N 320.371 4.442 0 40 DIAB CC(=O)Nc1cc2c(c(Cl)c1Cl)-c1ccccc1C2=O 1569601 OLDRUPIYOHLFQZ-UHFFFAOYSA-N 306.148 4.163 0 40 DIAB C[C@@H]1CCCN(C(=O)COc2ccc(Nc3ccccc3)cc2)C1 2637596 UDFYBFLQRIRSLV-MRXNPFEDSA-N 324.424 4.068 0 40 DIAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1CCCC1 2961424 WJNDJYSEBMQBBD-UHFFFAOYSA-N 323.421 4.487 0 40 DIAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)c1 3443365 CTNIMUZMTQZGSE-HXUWFJFHSA-N 322.452 4.469 0 40 DIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 3483358 NFYFRSKUNMUKJS-SNVBAGLBSA-N 310.180 4.399 0 40 DIAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 3557701 DVNKPSABLPPFHP-GFCCVEGCSA-N 303.789 4.308 0 40 DIAB CCCC[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 6853936 AITNECAKVUJGOV-UHFFFAOYSA-N 310.248 4.496 0 40 DIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccc1F 7755477 MVVPEQAVROLEBX-CMDGGOBGSA-N 323.289 4.174 0 40 DIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 8494616 HHZJYDIHHCGXJB-QGZVFWFLSA-N 317.816 4.156 0 40 DIAB Cc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12621949 KIUJJMTXPWBIRP-OAHLLOKOSA-N 301.386 4.101 0 40 DIAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14007020 JHHHUHGIBIVNJR-ZDUSSCGKSA-N 303.789 4.363 0 40 DIAB Cc1cc(C(=O)Nc2ccccc2C(C)C)c2c(C)noc2n1 14204593 CMSOODHTWMIPPB-UHFFFAOYSA-N 309.369 4.215 0 40 DIAB Cc1ccc(NC(=O)c2cccnc2SC(F)F)cc1C 14253664 DLLWMLDNVQAXDT-UHFFFAOYSA-N 308.353 4.265 0 40 DIAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2Cl)cc1 14737882 DMJBQIWZAQLDSR-ZDUSSCGKSA-N 317.816 4.159 0 40 DIAB C[C@H](NC(=S)Nc1ccccc1OC(F)F)c1ccccc1 17056012 OFMHBILTQHUPMK-NSHDSACASA-N 322.380 4.336 0 40 DIAB c1ccc([C@@H]2C[C@H]3c4ccccc4OC4(CCCC4)N3N2)cc1 19171716 XYMAJJUMIAREDB-ROUUACIJSA-N 306.409 4.342 0 40 DIAB O=C(Cc1noc2ccccc12)Nc1cc(Cl)ccc1Cl 19179828 BIDKIEUPLWNIOM-UHFFFAOYSA-N 321.163 4.316 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 20042100 BIMSHYSVGOWWDJ-QGZVFWFLSA-N 323.436 4.359 0 40 DIAB CSc1nnc(C(C)C)c2cnn(-c3ccc(C)c(C)c3)c12 23137808 XEHYQDQEKANFEX-UHFFFAOYSA-N 312.442 4.278 0 40 DIAB Cc1ccc(SC[C@H](O)COc2ccc(Cl)cc2)cc1 28403398 LHEVISICGQGQTD-CQSZACIVSA-N 308.830 4.180 0 40 DIAB CCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 30031387 YXZDRNAGBYAKOB-UHFFFAOYSA-N 305.381 4.200 0 40 DIAB CCOc1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1 30755617 KBIWNXZRLXQUHM-FMIVXFBMSA-N 315.800 4.068 0 40 DIAB O=C(CCc1cccc(Cl)c1Cl)NC(C1CC1)C1CC1 31716860 KMIRLUGVDUWCRK-UHFFFAOYSA-N 312.240 4.231 0 40 DIAB Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 33501220 DLPUMYODRGZLDJ-UHFFFAOYSA-N 303.337 4.414 0 40 DIAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nnsc1Cl 36396283 HKIUNROFLDYSJR-SECBINFHSA-N 307.806 4.131 0 40 DIAB CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C=O)c1 40449480 XDDFRJAZFWPYHK-UHFFFAOYSA-N 311.381 4.191 0 40 DIAB CC[C@H](C)c1ccc(OC2CCNCC2)c(Br)c1 42774578 VFUUYAZUGFXLBK-NSHDSACASA-N 312.251 4.093 0 40 DIAB Cc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1 57510993 ZFQAMVGIVOVMMC-UHFFFAOYSA-N 316.364 4.411 0 40 DIAB CCCCOCCCNC(=O)Nc1ccc(Cl)cc1Cl 57530640 LIUDOBBXBXXWMQ-UHFFFAOYSA-N 319.232 4.322 0 40 DIAB CC(C)c1ccc(-c2nc3c(s2)C[C@@H](C(=O)O)CC3)cc1 57630204 HRQLHWXBVQRPDX-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB O=C(Nc1ccncc1)N(Cc1ccccc1)C1CCCCC1 72274841 NABHJOGCENPPEO-UHFFFAOYSA-N 309.413 4.448 0 40 DIAB Cc1noc(CN[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)n1 73644912 XVXRGLBITXCTBO-KRWDZBQOSA-N 301.434 4.162 0 40 DIAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccccc1F 78700567 VMGOKKNXOFWIDP-INIZCTEOSA-N 315.388 4.493 0 40 DIAB CN(C)c1nc(-c2ccc(O)cc2)cc(C(F)(F)F)c1Cl 91695625 XFQNVNAIJKHQNK-UHFFFAOYSA-N 316.710 4.192 0 40 DIAB COc1ccnc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c1 195559727 VHTCPQXEKCMSDR-HNNXBMFYSA-N 319.408 4.003 0 40 DIAB COc1ccc(/C=C/C(=O)NCc2cccc3ccccc23)cc1 222825954 AKHBADIVMKZFRH-SDNWHVSQSA-N 317.388 4.178 0 40 DIAB O=C(CSCc1ccc(Cl)cc1)NCC1=CCCCC1 223405826 XNOQEJAWWNOTFW-UHFFFAOYSA-N 309.862 4.190 0 40 DIAB O=C(O)[C@@H](Cc1cccc(Cl)c1)Oc1ccc(Cl)cc1 225058506 JSEBQJYGFNUTKH-CQSZACIVSA-N 311.164 4.068 0 40 DIAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 225633044 BQOHRYOICLVJRV-KBXCAEBGSA-N 305.418 4.009 0 40 DIAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1O[C@@H](C)CC 225785137 VXPDSVXDVSAFRM-LBPRGKRZSA-N 321.417 4.025 0 40 DIAB Cc1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225840735 AEADZJGGQKHPOM-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB Cc1ccc(NC(=S)NC2(c3cccs3)CCCC2)nc1 225872688 FBDSOKZCTHCLAQ-UHFFFAOYSA-N 317.483 4.207 0 40 DIAB Cc1cccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2)c1 226355819 RRHXIRGLNWYKEU-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCC3=C3CCC[C@@H]3[C@H]2C1=O 245232187 QDUOONWQMKZMFZ-UKBAYJJMSA-N 321.420 4.011 0 40 DIAB O=C(Nc1cccnc1)[C@H]1CC1(c1ccccc1)c1ccccc1 233848 PPQJGPFRDBVXMG-LJQANCHMSA-N 314.388 4.026 0 40 DIAB CC(C)n1cccc([C@H](O)CC(=O)c2ccccc2)c1=S 344339 AEFJYYQUZYTKLN-MRXNPFEDSA-N 301.411 4.105 0 40 DIAB CC(=O)c1c(-c2ccc(Cl)cc2)cc2ccc(C(=O)O)cn12 1261435 QJFNRQVCZAEBHN-UHFFFAOYSA-N 313.740 4.161 0 40 DIAB CN(C)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 2651115 JKKNOKSWEXMOMM-UHFFFAOYSA-N 308.303 4.024 0 40 DIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2ccccc2n1 3351831 SUUHWRKHPFUZAG-SFHVURJKSA-N 302.377 4.042 0 40 DIAB C[C@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccco1 3396100 SZCSQRNLGQNNJY-ZDUSSCGKSA-N 311.406 4.230 0 40 DIAB CCSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 3568647 DRSIZSSAOOMUNG-UHFFFAOYSA-N 310.426 4.058 0 40 DIAB C[C@H]1CC[C@](C)(C(=O)CNC(=S)Nc2ccccc2)C1(C)C 3846119 QTDFEDDXQLVCNA-SCLBCKFNSA-N 318.486 4.005 0 40 DIAB biogenic Cc1cc(C)c(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)c1 5049571 KJFIKOKUOLXUNJ-UHFFFAOYSA-N 322.364 4.019 0 40 DIAB CCC1CCC(NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 6851069 PTRSMEJKMTZQKZ-UHFFFAOYSA-N 321.289 4.081 0 40 DIAB CCCCCCOc1ccc(C(=O)O)cc1Br 7261098 FUAWNQNJBPJZDK-UHFFFAOYSA-N 301.180 4.106 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 8569170 WMPJGVGOWJHAOY-OAHLLOKOSA-N 313.397 4.188 0 40 DIAB CC(C)c1ccccc1NC(=S)NCc1nc2ccccc2[nH]1 12510512 FUYXCLHBQVLWAX-UHFFFAOYSA-N 324.453 4.173 0 40 DIAB O=S(=O)(Nc1cccc(Cl)c1)C1=Cc2ccccc2CC1 12750414 BSWLASCIHVWYML-UHFFFAOYSA-N 319.813 4.069 0 40 DIAB CSc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 12806030 YRNGHMPWYXKGLZ-UHFFFAOYSA-N 318.467 4.386 0 40 DIAB Clc1ccc(COCc2ccccc2Cn2ccnc2)cc1 13283487 QAFCOMPEARFAJQ-UHFFFAOYSA-N 312.800 4.302 0 40 DIAB Cc1cccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 13673055 GQGZEPBSTHASEE-XSFVSMFZSA-N 317.388 4.445 0 40 DIAB CSc1ccccc1NC(=O)COc1ccc(C)cc1C 15305787 XHZRZPMXODOMOZ-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1cc(OC[C@@H](O)CSc2ccccn2)ccc1C(C)C 16839845 BUSAFQDPGGVTRM-OAHLLOKOSA-N 317.454 4.045 0 40 DIAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 18010093 GMKPJAFPJOFANR-UHFFFAOYSA-N 315.380 4.176 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20137529 SYLBOBOOZQRGJQ-UHFFFAOYSA-N 321.376 4.308 0 40 DIAB CCOc1ccccc1NC(=O)N[C@H](C)c1ccc(F)cc1 20538240 JGRWZFQCJZXSCS-GFCCVEGCSA-N 302.349 4.107 0 40 DIAB Cc1ccoc1C(=O)N(Cc1c(C)noc1C)c1ccccc1 22135195 MBZSUXZBVQXECL-UHFFFAOYSA-N 310.353 4.040 0 40 DIAB CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27661961 SLYQMQCVXSLDQI-KRWDZBQOSA-N 322.880 4.029 0 40 DIAB Cc1noc(C)c1CSCC(=O)c1c(C)[nH]c2ccccc12 36846111 VMPFLYFBLPWVBM-UHFFFAOYSA-N 314.410 4.197 0 40 DIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C 38756239 PHYQNRHDBDDJGD-MRXNPFEDSA-N 301.361 4.239 0 40 DIAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1Br 43210068 NDEWQHGVIZYOHR-UHFFFAOYSA-N 313.553 4.473 0 40 DIAB O=C(c1ccc(C2OCCO2)cc1)c1cccc(Cl)c1Cl 43212681 YWTUOIDVUWJGKC-UHFFFAOYSA-N 323.175 4.270 0 40 DIAB Clc1cc(Cl)cc(-c2nnc3sc(C4CC4)nn23)c1 44919497 PBXBLLMZPJZMTN-UHFFFAOYSA-N 311.197 4.037 0 40 DIAB c1ccc(N2CCN(Cc3csc4ccccc34)CC2)cc1 58014205 ZVXWSFMHZFLOOE-UHFFFAOYSA-N 308.450 4.224 0 40 DIAB Cc1ccc(-c2ccnc(N[C@H](C)c3ncccc3C)n2)c(C)n1 71746227 AMGBCNGJWKNMQD-OAHLLOKOSA-N 319.412 4.032 0 40 DIAB CC(C)(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1 73847451 NQBJLMOCPSBWPA-HNNXBMFYSA-N 320.795 4.391 0 40 DIAB CCOc1cc(C(=O)Nc2c(C)cccc2Cl)ccc1OC 78551746 FNJSVXVWMQGNDT-UHFFFAOYSA-N 319.788 4.308 0 40 DIAB Cc1noc(C)c1C(=O)Nc1cccc2c1ccn2CC(C)C 95475822 IQVKGJZDZAXRTC-UHFFFAOYSA-N 311.385 4.154 0 40 DIAB C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(Cl)c1Cl 95968157 XPUULFNWWCDUDS-SDDRHHMPSA-N 313.272 4.269 0 40 DIAB CCc1nc(N[C@H](CC)c2nccs2)c2ccsc2n1 95975945 WCLJZLPNHNYGMA-SNVBAGLBSA-N 304.444 4.273 0 40 DIAB CCOc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1 113520364 VIRXEESIWBAUCY-UHFFFAOYSA-N 311.341 4.179 0 40 DIAB CCc1ccc(CC(=O)NCc2ccc3ccccc3c2)cc1 222819414 KGLHYIQDGJFKEE-UHFFFAOYSA-N 303.405 4.261 0 40 DIAB CCCc1ccc(OCCNC(=O)c2cc(C)ccc2C)cc1 225053513 SKKLXEVXZUMVDE-UHFFFAOYSA-N 311.425 4.065 0 40 DIAB Cc1cc(C)cc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077192 KLWJRHPLYJVDDZ-KRWDZBQOSA-N 318.800 4.340 0 40 DIAB Nc1nnc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)s1 408718542 WFQAZKAWACVCHW-GXDHUFHOSA-N 313.813 4.363 0 40 DIAB O=C(NC1(C(F)F)CCCCC1)c1cnc2c(F)cccc2c1 574351714 YXUZQPAGPODLLA-UHFFFAOYSA-N 322.330 4.072 0 40 DIAB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1Br 125542 QEDPDHFTPJHXRP-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB COc1ccc(Sc2nc3ccccc3nc2Cl)cc1 160087 MJQQZGLVLLEYSG-UHFFFAOYSA-N 302.786 4.443 0 40 DIAB CCOc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1 554942 XEMQARFTBQGYLU-UHFFFAOYSA-N 311.410 4.322 0 40 DIAB Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Cl 568765 NRULWZYBBWVCNL-UHFFFAOYSA-N 303.833 4.203 0 40 DIAB CC(=O)Oc1ccccc1C(=O)OCc1ccc2ccccc2c1 618102 BNLMYQYBLOBGTJ-UHFFFAOYSA-N 320.344 4.122 0 40 DIAB Cc1coc2c1c1c(c3oc(=O)c4c(c32)CCC4)CCC(C)(C)O1 2123282 ISUDVZFEGRJOOT-UHFFFAOYSA-N 324.376 4.440 0 40 DIAB biogenic O=C(Nc1ccccc1OC(F)F)c1cc2ccccc2o1 2595121 NFBITUHLCMGQLM-UHFFFAOYSA-N 303.264 4.287 0 40 DIAB C[C@H](CC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 3413658 OCZAMYHAZJULFG-GFCCVEGCSA-N 305.324 4.420 0 40 DIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccccc1Cl 3904945 UZHMQBMKYWOFAJ-HZSPNIEDSA-N 309.837 4.148 0 40 DIAB Fc1ccc2nc(Nc3nnc(-c4cccs4)o3)sc2c1 4137797 XYUCMYDIAUHHIL-UHFFFAOYSA-N 318.358 4.291 0 40 DIAB CC1=CC(C)(C)n2c3[nH]c(=S)nnc3c3c(C)c(C)cc1c32 4737129 OKDFECFHQCSGCB-UHFFFAOYSA-N 310.426 4.411 0 40 DIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C[C@@H]2CCCN3CCCC[C@H]23)C1 5425245 BMRXTFOKVYWSJF-JRBPQWBISA-N 304.522 4.152 0 40 DIAB Cc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 6267691 NOGWKIKUGIOGRI-UHFFFAOYSA-N 306.365 4.366 0 40 DIAB Cn1ccnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 6369199 YRCDVNDQLRJZHQ-QGZVFWFLSA-N 308.406 4.136 0 40 DIAB CSc1ccccc1NC(=O)[C@@H](C)Nc1cccc(C)c1 7222747 BNUHITKGKRLHRM-CYBMUJFWSA-N 300.427 4.156 0 40 DIAB COc1ccc(C)cc1NC(=O)CCSCc1ccccc1 7685381 ARJAHONQJJHDML-UHFFFAOYSA-N 315.438 4.266 0 40 DIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccccc1 7725397 CEAHOVYLRFJSLN-UHFFFAOYSA-N 305.381 4.015 0 40 DIAB COc1ccc2cc(CN(C)C(=O)c3ccccc3)ccc2c1 7742342 FGOGHQMFGBKGOV-UHFFFAOYSA-N 305.377 4.121 0 40 DIAB Cc1ccccc1CN(C)C(=O)Cc1cccc2ccccc12 7967493 KPXKFHNKTUNEGU-UHFFFAOYSA-N 303.405 4.349 0 40 DIAB Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)O 8015538 UKYWLRXGZYJQPQ-UHFFFAOYSA-N 303.170 4.200 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 8041476 VPTLVMQQOAIEAT-HNNXBMFYSA-N 307.752 4.275 0 40 DIAB COc1ccccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 8324155 LMMVQGYOZXTSAK-LLVKDONJSA-N 301.411 4.134 0 40 DIAB CN(Cc1cccc(F)c1)C(=O)Nc1nc2ccccc2s1 9710701 TUGWLNZGUXAYDO-UHFFFAOYSA-N 315.373 4.099 0 40 DIAB C[C@@H](Nc1ccc(OC2CCCC2)cc1)C(=O)Nc1ccccc1 12539922 SLTVQNFMBMUOBY-OAHLLOKOSA-N 324.424 4.447 0 40 DIAB CC[C@@H](C)[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 12743749 URHSHUWATLGRQD-AUUYWEPGSA-N 324.424 4.413 0 40 DIAB CC(=O)Nc1ccc(C(=O)[C@H](C)SC2CCCCC2)cc1 12771269 XBVKRLKSVYJKGL-LBPRGKRZSA-N 305.443 4.282 0 40 DIAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c2C1 15497765 KGWYZCAFSLKDOU-AWEZNQCLSA-N 318.420 4.223 0 40 DIAB Cc1ncccc1C(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19582985 JFOLOAGRAKOEPF-ZRNYENFQSA-N 320.436 4.092 0 40 DIAB C[C@H](NCc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 19872186 AIIOQSJZJUEIIZ-MEDUHNTESA-N 310.224 4.205 0 40 DIAB CCOc1ccc(-c2cc(C(=O)Oc3ccccc3C)no2)cc1 20896765 UUFMWEALZYJVLC-UHFFFAOYSA-N 323.348 4.268 0 40 DIAB Cc1cccc(NC(=O)CSCCOc2ccccc2)c1C 22622785 RDODXLZDEODWAC-UHFFFAOYSA-N 315.438 4.054 0 40 DIAB O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2)s1 23087798 HNTLLEVEUAUUOJ-XSFVSMFZSA-N 320.417 4.108 0 40 DIAB Cc1[nH]c2ccc(C(=O)Nc3ccc(CN(C)C)cc3)cc2c1C 23898636 JWXBJLJNXGHSHQ-UHFFFAOYSA-N 321.424 4.099 0 40 DIAB O=C(/C=C/c1cccnc1)NCC1(c2ccccc2)CCCCC1 25251929 RRIAPBRQZACPJY-VAWYXSNFSA-N 320.436 4.113 0 40 DIAB Cc1ccc(CN(C)C(=O)Cc2cccc3cccnc23)c(C)c1 32885636 CKTFHEPKUBKYDX-UHFFFAOYSA-N 318.420 4.053 0 40 DIAB Cc1cc2ncn(Cc3cccc(Br)c3)c2cc1C 40224018 QWQLSENQTLEEJW-UHFFFAOYSA-N 315.214 4.464 0 40 DIAB Cc1cccc(C)c1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 40395179 NCKYAEJLUXUWIM-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(O)cc1 53748677 RDWDLMAOOCKQJX-MRXNPFEDSA-N 318.323 4.039 0 40 DIAB CCN(C(=O)N[C@@H](C)CCc1ccc(OC)cc1)[C@H](C)C(C)C 58168963 DOAXDFABNOUSBZ-JKSUJKDBSA-N 320.477 4.092 0 40 DIAB COc1ccc2cc([C@H](C)C(=O)Nc3c(C)noc3C)ccc2c1 58281360 FNAAWBOPMMHDBI-NSHDSACASA-N 324.380 4.195 0 40 DIAB Cc1cccnc1NC(=S)NC1(c2cccs2)CCCC1 225872178 SCKWSPGKGILAAL-UHFFFAOYSA-N 317.483 4.207 0 40 DIAB c1ccc(Nc2cccc(C3CCN(C4CCCC4)CC3)n2)nc1 257208985 BOKDLKZEZLFPFP-UHFFFAOYSA-N 322.456 4.342 0 40 DIAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)Cl 575242968 ONEYSQIJHVTFMO-UHFFFAOYSA-N 309.017 4.253 0 40 DIAB CCc1nc(NCc2nc(C)c(C)o2)c2ccc(Cl)cc2n1 1548453519 JLOQLDMYCYLKDO-UHFFFAOYSA-N 316.792 4.063 0 40 DIAB Cc1ccc(NC(=O)c2ccco2)c(C(=O)c2ccccc2)c1 381368 OQWJUUPARBSODR-UHFFFAOYSA-N 305.333 4.071 0 40 DIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 505790 VIXGPCUXOJWAOC-CQSZACIVSA-N 313.397 4.226 0 40 DIAB O[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)c2ccccc2O1 1670041 UOEOPLWOLUQXHF-FPOVZHCZSA-N 302.373 4.446 0 40 DIAB CN(C)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 2512625 VVNFXYWHRSFAFR-UHFFFAOYSA-N 308.425 4.203 0 40 DIAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1CCCC1 2961276 NMUBCGCFYDRSCU-UHFFFAOYSA-N 323.421 4.487 0 40 DIAB CCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OC 3357303 XZIZWECAPRCLJR-UHFFFAOYSA-N 313.397 4.299 0 40 DIAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2C(C)C)cc1 3396797 ZILOZUYDNJITAD-UHFFFAOYSA-N 311.381 4.030 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 3554474 PRWGBDPFAJYJBQ-UHFFFAOYSA-N 301.411 4.275 0 40 DIAB COc1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 4315942 HBCPITKSYMHKJF-UHFFFAOYSA-N 322.389 4.137 0 40 DIAB O=C(OCC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 4332637 SUOMRYKKGUBBMZ-UHFFFAOYSA-N 320.753 4.187 0 40 DIAB CCCN(C(=O)CC(C)C)c1nnc(-c2ccccc2C)s1 4982379 GPZLJXHDUTVCBJ-UHFFFAOYSA-N 317.458 4.303 0 40 DIAB Cc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 5671828 MAQZRSQXPIGCIJ-UHFFFAOYSA-N 309.287 4.454 0 40 DIAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2C)cc1 6333102 YFPKSALRCUBVBQ-UHFFFAOYSA-N 306.818 4.466 0 40 DIAB Cc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C 6623181 KLRLDCAGTQOEAN-UHFFFAOYSA-N 303.427 4.228 0 40 DIAB CCCCOCCCNC(=O)Nc1cccc2ccccc12 11004617 QLHDLKLYTDGLBI-UHFFFAOYSA-N 300.402 4.168 0 40 DIAB C[C@@H]1CCc2noc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1 11914806 WSKIRHNNIJZIJT-GFCCVEGCSA-N 312.413 4.349 0 40 DIAB CCc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 13789275 KXBNWLVSGCCXFM-UHFFFAOYSA-N 304.846 4.389 0 40 DIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(F)cc1F 13820299 PAPWWLJJGZZREA-LBPRGKRZSA-N 320.408 4.273 0 40 DIAB Clc1ccc(OCCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 15456892 ZZTNNXBYPUKSHP-GASCZTMLSA-N 324.877 4.113 0 40 DIAB CCCCN(C(=O)Nc1ccccc1)c1ccc(C(=O)O)cc1 16638765 IQBDCZMNIYUWLL-UHFFFAOYSA-N 312.369 4.223 0 40 DIAB CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)O)cc3)c2c1 19791995 GNRUXNJUMPMBIL-UHFFFAOYSA-N 322.364 4.384 0 40 DIAB O=C1CS[C@H](c2ccccc2)N1c1ccc(C(F)(F)F)cc1 19927051 XIHWMJZGARGDII-OAHLLOKOSA-N 323.339 4.484 0 40 DIAB Cc1ccc(C(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)cc1 19927264 HQDKBMUIHAENMI-UHFFFAOYSA-N 323.421 4.064 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)N1c2ccccc2C[C@H]1C 20493315 LMMGLDRTIOKEFE-QAPCUYQASA-N 309.409 4.130 0 40 DIAB COc1ccc(N(Cc2ccco2)C(=O)c2cccs2)cc1 27795680 GAJACWZCJSVTAO-UHFFFAOYSA-N 313.378 4.197 0 40 DIAB COc1ccc(NC(=O)Nc2nc(C(C)(C)C)cs2)cc1 28221361 ZFRDVXVDRDSBMC-UHFFFAOYSA-N 305.403 4.093 0 40 DIAB O=C(CCc1ccc(Cl)cc1Cl)NCCc1ccccc1 30804540 GSLKOOJFQCJUFF-UHFFFAOYSA-N 322.235 4.285 0 40 DIAB CC(=O)Nc1cccc(NC(=O)CCC2CCCCC2)c1C 32753711 DODAEDWVTUKSRL-UHFFFAOYSA-N 302.418 4.252 0 40 DIAB Cc1cccc(-n2ccnc2SCc2csc(C)n2)c1 40024319 KRXRKPFXSLSRLZ-UHFFFAOYSA-N 301.440 4.238 0 40 DIAB CC[C@H]1CCCCN1Cc1cc(-c2ccccc2OC)no1 40024617 CICDZHYCOYFBDZ-AWEZNQCLSA-N 300.402 4.115 0 40 DIAB COCc1ccccc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 46032927 FCXMVULNYLWLLG-ZDUSSCGKSA-N 324.380 4.462 0 40 DIAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2Cl)[nH]n1 47338995 BZWVXKUKVMYEHI-LBPRGKRZSA-N 317.820 4.135 0 40 DIAB O=C(Nc1ccc2ccccc2n1)c1nc(Cl)ccc1Cl 48253722 VFEYHVXKOWKVTE-UHFFFAOYSA-N 318.163 4.189 0 40 DIAB Cc1ncc(COC(=O)Cc2c(Cl)cccc2Cl)s1 48299586 KXPFTNQJWJAOKB-UHFFFAOYSA-N 316.209 4.044 0 40 DIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)[C@@H](C)C1CC1 62579929 LSQZNYKZYYGDQE-NSHDSACASA-N 318.417 4.128 0 40 DIAB CC(=O)Nc1ccc(-c2csc(-c3cccc(O)c3)n2)cc1 68945844 LUKKVZAASWDTEJ-UHFFFAOYSA-N 310.378 4.141 0 40 DIAB CC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462035 ZYEWJQITCVODBI-UHFFFAOYSA-N 310.353 4.282 0 40 DIAB Cc1cc(C)c2nc(-c3ccc(Br)c(N)c3)[nH]c2c1 70462827 ABMDRGNQNGQVMA-UHFFFAOYSA-N 316.202 4.191 0 40 DIAB Cc1ccc(CN(Cc2ncc(C)o2)c2ccc(F)cc2)o1 72629872 DXVYRZKMKJXBMW-UHFFFAOYSA-N 300.333 4.230 0 40 DIAB CC(C)(C)[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCC1 79495737 GPCKOSMANNTUEF-GFCCVEGCSA-N 309.435 4.126 0 40 DIAB CCc1cc2c(N(Cc3cccs3)C3CC3)ncnc2s1 83820512 KIFSLZCVTWESHF-UHFFFAOYSA-N 315.467 4.484 0 40 DIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(OC)c1 113970095 GZIDFDGVADLPCS-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3F)nc2c1 216921582 QGUMTIRYKIYNRW-UHFFFAOYSA-N 318.735 4.199 0 40 DIAB CC1(C)OC(c2ccc(C(F)(F)F)nc2Cl)OC1(C)C 642814103 DZDRFUOVVWZKIW-UHFFFAOYSA-N 309.715 4.356 0 40 DIAB S=C(c1ccc(OCc2ccccc2)cc1)N1CCCCC1 306153 ZFVONRLCKFAKJZ-UHFFFAOYSA-N 311.450 4.427 0 40 DIAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)ccc1OC(C)C 1467646 OQDLMEWKGLLUSG-UHFFFAOYSA-N 320.392 4.447 0 40 DIAB O=C(NCCc1ccccc1)C(c1ccccc1)c1ccccc1 2234927 RLMGKXOWTFSAAV-UHFFFAOYSA-N 315.416 4.177 0 40 DIAB CCCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12 2356431 UWNOUKFOIDDBHD-UHFFFAOYSA-N 310.401 4.042 0 40 DIAB CCN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 4457181 NIAZWDOFWZORNI-OQLLNIDSSA-N 314.410 4.278 0 40 DIAB O=C(OCCN1CCCCC1)c1sc2ccccc2c1Cl 4744034 WGCYBRYLLNUFMU-UHFFFAOYSA-N 323.845 4.197 0 40 DIAB CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699774 HWLAIXMXBQRGPH-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB COc1ccc2cc(C(=O)Nc3ccc(C)cc3)c(C)nc2c1 10404656 NIJODIVXCROZRG-UHFFFAOYSA-N 306.365 4.113 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3cccnc23)c(C)c1 12773021 YMOLDPCKGXJKIQ-OAHLLOKOSA-N 320.392 4.258 0 40 DIAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 13109709 GAYKWLZNBWJWBA-NSHDSACASA-N 306.768 4.227 0 40 DIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1Cl 14008940 LMKVGALFYXOHDW-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2)cc1 15540892 GRNHEJMHPFIOJG-IBGZPJMESA-N 309.409 4.289 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)NC1CCCCCCC1 20450560 GUWFPCKKZJXHNI-KRWDZBQOSA-N 303.446 4.382 0 40 DIAB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccccc1 20462709 MNINOSJRWXIGOX-OAHLLOKOSA-N 309.365 4.323 0 40 DIAB CN(Cc1ccsc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26294880 XRHXWACOGJAHNP-NEPJUHHUSA-N 320.380 4.011 0 40 DIAB COCc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2ccccc12 32975215 NPIARSUTZFUEEF-ZDUSSCGKSA-N 321.376 4.171 0 40 DIAB O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCCCC1 35685455 CTYRXUXXKMKNDJ-UHFFFAOYSA-N 323.845 4.058 0 40 DIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 43741633 VRSHMPIVJBOJEJ-MRXNPFEDSA-N 319.404 4.404 0 40 DIAB Cc1ncc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 58365925 AIYNCEICPKBLHD-KRWDZBQOSA-N 322.433 4.165 0 40 DIAB Clc1cccc(NC2CCN(CCc3ccccc3)CC2)c1 66066527 PGKHYLYZXSVXTF-UHFFFAOYSA-N 314.860 4.459 0 40 DIAB CCO[C@H](C)c1nc(Cn2cnc3cc(C)c(C)cc32)cs1 76695073 RAFYMCRBIAXCQG-CYBMUJFWSA-N 315.442 4.255 0 40 DIAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@]12C 78642606 CHHJYAJCFCXLTD-QGVNFLHTSA-N 314.469 4.291 0 40 DIAB FC(F)Oc1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1 89262806 SUAPJOJHFVLUFD-UHFFFAOYSA-N 323.686 4.053 0 40 DIAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@@H]2C[C@@H]1CCCC[C@@]13O4 100743092 GMYSGDXPXKUMOX-BCNVYZLRSA-N 318.457 4.131 0 40 DIAB CCC[C@H](C)OC(=O)c1ccccc1C(=O)OCCC(C)C 169748449 YWCBNWGRYSZDBV-AWEZNQCLSA-N 306.402 4.235 0 40 DIAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2F)cc1C 223490217 RWXLGWGTAQQIJH-HNNXBMFYSA-N 315.388 4.007 0 40 DIAB CC(C)(C)c1ccc(OCCNC(=O)C2CCCCC2)cc1 224314946 BNIGKAMGLASGKK-UHFFFAOYSA-N 303.446 4.059 0 40 DIAB O=C(Cc1ccsc1)N(Cc1ccoc1)Cc1cccs1 225623088 DCRJUHXGLCKNPQ-UHFFFAOYSA-N 317.435 4.174 0 40 DIAB CCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225638048 HUWNVJMYRBLBPV-BFUOFWGJSA-N 319.445 4.236 0 40 DIAB Cc1cc(C)c(NC(=O)c2cc3cc(C)ccc3oc2=O)c(C)c1 226037648 WEBVREDAWSUVBI-UHFFFAOYSA-N 321.376 4.279 0 40 DIAB Fc1ccccc1CN1CCCC[C@H]1c1ncn2ccsc12 257229221 FXGIDOOJXUTDHF-HNNXBMFYSA-N 315.417 4.262 0 40 DIAB O=C(O)c1ccccc1-c1ccc(CNc2cccnc2)cc1 257279010 OEOVTVIAUCOWTH-UHFFFAOYSA-N 304.349 4.059 0 40 DIAB Cc1cc(-c2nc(C)cs2)nc([C@H]2CCCCN2C(C)C)n1 257315350 VAXYCXCZIXQMQU-OAHLLOKOSA-N 316.474 4.152 0 40 DIAB S=C(Nc1ccc2conc2c1)N1CC[C@H](c2ccccc2)C1 409202414 RXLHLQJUOFJPCD-AWEZNQCLSA-N 323.421 4.014 0 40 DIAB CCOC(=O)CC(=O)c1ccc(C)cc1/C=C/c1ccccc1 575372174 DJAVAZTYGBLZES-ZHACJKMWSA-N 308.377 4.301 0 40 DIAB CCCCC[C@H](O)[C@@H]1CC=C[C@@H](CCCCCCC(=O)O)O1 1772591358 ADGNIITUSSHJDU-IKGGRYGDSA-N 312.450 4.067 0 40 DIAB Cc1cc(C(=O)O)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 227497 JEPUAHUXSPFPNB-UHFFFAOYSA-N 317.410 4.305 0 40 DIAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 478310 KZFAVEOKXRWNNZ-UHFFFAOYSA-N 317.454 4.402 0 40 DIAB COc1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)cc1 818117 MPWSMSIPFHFSJK-LJQANCHMSA-N 305.381 4.148 0 40 DIAB COc1ccc(OC)c2c(C(=O)O)c(Cc3ccccc3)ccc12 1618270 GHXOMXYHZBZUIJ-UHFFFAOYSA-N 322.360 4.146 0 40 DIAB O=C1c2ccccc2C(=O)N1N(c1ccccc1)c1ccccc1 1681442 VJJOOTXWBWFNPL-UHFFFAOYSA-N 314.344 4.036 0 40 DIAB Cc1n[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 3078648 OLOFHQRQXVIAOW-UHFFFAOYSA-N 312.396 4.124 0 40 DIAB CC(C)c1ccc(NC(=S)Nc2ccccc2CO)cc1 3308551 FICIQVWHSXOKAU-UHFFFAOYSA-N 300.427 4.111 0 40 DIAB CCCNC(=O)OC[C@]12CO[C@H](CCC)[C@H](C(C)=C[C@H]1C)[C@H]2C 4023379 WLQOPAUMPGYQCV-VYIWNADRSA-N 323.477 4.156 0 40 DIAB Cc1nc(NCc2ccc(F)cc2)c2oc3ccccc3c2n1 5177130 OJNQYMSSAMKYTP-UHFFFAOYSA-N 307.328 4.436 0 40 DIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 7037006 IQLIQVTUBDUIHQ-LJQANCHMSA-N 311.425 4.141 0 40 DIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 8041805 GFDSZCOIGOPKBG-UHFFFAOYSA-N 319.351 4.280 0 40 DIAB CC[C@H](C)NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 8326709 AVDWPDNVDOHXOE-INIZCTEOSA-N 313.441 4.471 0 40 DIAB O=C(Nc1noc2ccccc12)c1ccc(Cl)cc1Cl 9667581 SXUFNHIFGRLVGN-UHFFFAOYSA-N 307.136 4.387 0 40 DIAB Cc1ccccc1/C=C/C(=O)N1CCc2[nH]c3ccccc3c2C1 9901816 TUWTVHYADLBKOI-ZHACJKMWSA-N 316.404 4.074 0 40 DIAB Cc1nnc(C)c2c(C)n(-c3cc(Cl)cc(Cl)c3)nc12 12390914 WXDPZZUIYNOUBU-UHFFFAOYSA-N 307.184 4.048 0 40 DIAB O=C(/C=C/c1ccc(F)cc1)N1CC=C(c2ccccc2)CC1 12994660 TYTDHJJCHJCUBP-DHZHZOJOSA-N 307.368 4.155 0 40 DIAB Cc1ccc(CCCNC(=O)c2ccc(O)c(Cl)c2)c(C)c1 24076032 SLFFSGMTZZURGX-UHFFFAOYSA-N 317.816 4.025 0 40 DIAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1cccc2ccccc12 25424775 OSHQSNNMFCKKQE-ZDUSSCGKSA-N 308.356 4.418 0 40 DIAB CCCCC(=O)NCc1ccc(CN2CCc3ccccc32)cc1 27589942 JRISCJUQUNHGJV-UHFFFAOYSA-N 322.452 4.056 0 40 DIAB CCSc1ccccc1NS(=O)(=O)Cc1cccc(C)c1 30856469 FAVVOJOBQFRNNP-UHFFFAOYSA-N 321.467 4.049 0 40 DIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1F 31483341 BFIJHRIMROQHQO-UHFFFAOYSA-N 319.763 4.389 0 40 DIAB CSc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 44837841 WWUCUDJHGRQTJP-UHFFFAOYSA-N 323.421 4.359 0 40 DIAB O=C(Nc1ccc(NC(=O)C2CCCC2)cc1)c1cccs1 58197497 WNHGPTHLTVJVST-UHFFFAOYSA-N 314.410 4.129 0 40 DIAB CCCCCC(=O)NCc1cccc(NC(=O)CCCCC)c1 58327204 FDQAQBHDCGIYQG-UHFFFAOYSA-N 318.461 4.402 0 40 DIAB COc1ccc(OC(=O)Cc2c(C)nc3ccccc3c2C)cc1 68735814 NOWNQKQNZCDEHK-UHFFFAOYSA-N 321.376 4.008 0 40 DIAB CC(C)(C)Sc1ccc(NC(=O)NC2CCC(O)CC2)cc1 69586448 ZSNARHXATNEHHH-UHFFFAOYSA-N 322.474 4.002 0 40 DIAB Cc1noc(C(C)C)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 69654042 MGUGCLULZPXZAN-GXTWGEPZSA-N 318.804 4.046 0 40 DIAB CCc1nnc(CNc2ccccc2Sc2ccccc2)o1 71796143 AEUJNDHFLTYHMY-UHFFFAOYSA-N 311.410 4.395 0 40 DIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 72214751 YHEHKEDGQCHJQT-OAHLLOKOSA-N 319.449 4.048 0 40 DIAB CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 73269787 LGHGKIRJBRFAOA-LBPRGKRZSA-N 320.820 4.232 0 40 DIAB CC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@H]1c1ccccc1 80450316 XRSXSKQBQSEBGC-RHSMWYFYSA-N 324.424 4.208 0 40 DIAB CCOC(=O)c1cccc(-c2ccc(Br)cc2)c1 95915977 VPFBTMPYHLZHFJ-UHFFFAOYSA-N 305.171 4.293 0 40 DIAB CCN(CC)C(=O)[C@@H](Nc1cc(C)cc(C)c1)c1ccccc1 98081181 VKZIOYVSODMFQY-IBGZPJMESA-N 310.441 4.325 0 40 DIAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 101209865 DRJPBGGCOIZUGK-HDICACEKSA-N 305.377 4.033 0 40 DIAB C[C@H](NC(=O)CSc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 108853338 LAATVQURGJINLT-XDQVBPFNSA-N 323.889 4.373 0 40 DIAB CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 113960864 GCHQBKGKIQENPB-HNNXBMFYSA-N 313.397 4.108 0 40 DIAB COc1ccc(/C=C(/C(=O)N2CCCCC2)c2ccccc2)cc1 212861907 JKXCZMSLYIKLIZ-CAPFRKAQSA-N 321.420 4.248 0 40 DIAB Cc1cccc(CNC(=S)Nc2ccc(C)c(Cl)c2)c1 225426425 RMKDODHAZRYHMF-UHFFFAOYSA-N 304.846 4.443 0 40 DIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1C 225612820 DLZVHMQOCJXBQD-SFHVURJKSA-N 307.434 4.318 0 40 DIAB CCSc1ccccc1NC(=O)Nc1cccc(OC)c1 225761821 VGIWYIFMDXYMDP-UHFFFAOYSA-N 302.399 4.451 0 40 DIAB COC(=O)c1ccc2[nH]c(-c3ccc4ccccc4c3)nc2c1 226236888 FBHRDYRFXIUFRT-UHFFFAOYSA-N 302.333 4.170 0 40 DIAB COc1ccc(F)c(CNC2(c3cccc(Cl)c3)CC2)c1 585085921 SLDAQMCPWONKEN-UHFFFAOYSA-N 305.780 4.267 0 40 DIAB COc1ccc(Cl)c2nc(-c3ccccc3)cc(C(=O)O)c12 1857793823 CLCAMRVLJMPLMS-UHFFFAOYSA-N 313.740 4.262 0 40 DIAB COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC 280765 SKXUBCZIKHHMHG-UHFFFAOYSA-N 307.349 4.109 0 40 DIAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1Br 492287 RNRNGFWNMPQBSY-UHFFFAOYSA-N 320.186 4.018 0 40 DIAB Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)c2c3c(sc2n1)CCCC3 753851 QCJPRMJXDIUYRI-TXEJJXNPSA-N 315.486 4.361 0 40 DIAB Cc1cccc(/C(Br)=C2/OC(=O)c3ccccc32)c1 1636225 QCHLISHCNOKVIA-PFONDFGASA-N 315.166 4.386 0 40 DIAB Cc1cccc2c(=O)n3c(cc12)-c1[nH]c2ccccc2c1CC3 1711026 JBPJPSRMGPRHFZ-UHFFFAOYSA-N 300.361 4.014 0 40 DIAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)cc1)C3 2125974 IMLALEHKTJLUFU-UHFFFAOYSA-N 321.376 4.020 0 40 DIAB biogenic CCCCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 2317542 RYKCARJZUCPERD-UHFFFAOYSA-N 322.408 4.127 0 40 DIAB CCCCC[C@@H]1C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O 2375182 OTOSIXWPCRAVKE-OLZOCXBDSA-N 318.442 4.167 0 40 DIAB Fc1ccc2[nH]c3c(NCCCc4ccccc4)ncnc3c2c1 2401527 VQMRFTCMCPSABT-UHFFFAOYSA-N 320.371 4.295 0 40 DIAB Cc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(O)c1 3344059 BLMGQTLFOQLZET-SOFGYWHQSA-N 321.298 4.371 0 40 DIAB O=C(COC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 3389387 QUDAULYLUPSLGS-UHFFFAOYSA-N 308.308 4.019 0 40 DIAB COc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 3481851 RPFSZJXNIAIUGA-MDZDMXLPSA-N 321.298 4.366 0 40 DIAB COc1ccc(-n2c(-c3ccc(F)cc3)cnc2SC)cc1 4128124 NIANMELHBGPEIL-UHFFFAOYSA-N 314.385 4.409 0 40 DIAB CCc1cccc(CC)c1NC(=O)Cn1c(C)nc2ccccc21 4414863 ODQBVCDYMSYJGC-UHFFFAOYSA-N 321.424 4.108 0 40 DIAB CCOC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 5334055 VBNVCDRBHLVPKR-UHFFFAOYSA-N 318.760 4.161 0 40 DIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1 5674053 HHEHKBRWBJLCLF-CYBMUJFWSA-N 321.342 4.457 0 40 DIAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 7777572 QSRDHHUJTMYHRQ-ZDUSSCGKSA-N 301.411 4.123 0 40 DIAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 8479077 NKLVYWSXTXYPJV-MRXNPFEDSA-N 313.397 4.054 0 40 DIAB Cc1ccc2nc(CCC(=O)Nc3cccc(Cl)c3)[nH]c2c1 8740618 CNKWHXPWGQHPEQ-UHFFFAOYSA-N 313.788 4.096 0 40 DIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 14006546 ATAHQTAPVQLOPG-GFCCVEGCSA-N 319.788 4.063 0 40 DIAB CC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1 15190177 APQXWPLOJXZGKU-UHFFFAOYSA-N 317.385 4.149 0 40 DIAB CCCOc1ccc(-c2c(C=O)cnn2-c2ccccc2)cc1 27825180 ZRNIXUZEHSOKAE-UHFFFAOYSA-N 306.365 4.141 0 40 DIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 30873893 MJUSZMQZCVZUHP-KGLIPLIRSA-N 315.438 4.053 0 40 DIAB CC(C)c1cc(C(=O)Nc2ccc(O)cc2)c2ccccc2n1 32104458 ROMCFTYHOXRQTP-UHFFFAOYSA-N 306.365 4.316 0 40 DIAB O=C(O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 37400685 PSKJEMKESYNBRO-UHFFFAOYSA-N 321.163 4.095 0 40 DIAB Cc1ccccc1CSc1nc(C)c(C)n1C[C@H]1CCCO1 39973600 CLACMWAWBHWNTE-QGZVFWFLSA-N 316.470 4.280 0 40 DIAB COc1cc(C)c(NC(=O)NCCC2=CCCCC2)cc1OC 40103472 IPCVMKXLGDYYCZ-UHFFFAOYSA-N 318.417 4.024 0 40 DIAB Cc1noc(C)c1CNc1cc(Cl)ccc1N1CCCC1 52918046 KJINJVOMRFTPEJ-UHFFFAOYSA-N 305.809 4.157 0 40 DIAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCCC1 58157600 NSZJELLPEGWZIX-OXJNMPFZSA-N 324.468 4.137 0 40 DIAB c1ccc2sc(Nc3ccc(N4CCCCC4)nc3)nc2c1 65575202 QXPQMZWSETVCGV-UHFFFAOYSA-N 310.426 4.425 0 40 DIAB Cc1csc([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72232489 ZPLSPFNDIOOGEW-MRXNPFEDSA-N 314.454 4.138 0 40 DIAB O=C([C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCc2sccc2C1 89774591 LHKULIIYYBBOJO-CABCVRRESA-N 317.841 4.090 0 40 DIAB O=C(OCc1ccccc1)N1CCC2(C=Nc3ccccc32)CC1 91297461 URTAFWBDASBETD-UHFFFAOYSA-N 320.392 4.073 0 40 DIAB Cc1ccc(Cl)cc1[C@H](O)c1ccccc1Br 95730125 JVUOWHJELCGDSD-CQSZACIVSA-N 311.606 4.493 0 40 DIAB CC(C)[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918484 CUCWGDHAZJRWLB-LBPRGKRZSA-N 321.364 4.190 0 40 DIAB CC1(C)C=C(c2cccc3ccccc23)c2ccccc2C1(N)N 95931939 NIMBHRCDIOJEDA-UHFFFAOYSA-N 314.432 4.382 0 40 DIAB Cc1c(CNC(=O)N(C)[C@@H](C)c2ccncc2)oc2ccccc12 96406874 HHZFZUBRUASTGI-AWEZNQCLSA-N 323.396 4.039 0 40 DIAB COCC(=O)N(c1ccccc1)[C@H](C)c1ccc(Cl)cc1 97011814 XBNVCUDHMGJLTE-CYBMUJFWSA-N 303.789 4.081 0 40 DIAB Cc1nc(SCc2nnc(-c3ccccc3)s2)oc1C 97145956 OAMYLNIWDXRTAI-UHFFFAOYSA-N 303.412 4.102 0 40 DIAB O=C(CCC(=O)c1cccs1)c1ccc(Br)cc1 196679916 ZZTIBJLMAXWJOB-UHFFFAOYSA-N 323.211 4.356 0 40 DIAB Cc1ccc(SCCC(=O)NC[C@H](C)c2ccccc2)cc1 223441030 CENBRRDBNBQLLF-INIZCTEOSA-N 313.466 4.397 0 40 DIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 251364267 PNRLPVRXLBDAFX-VBNZEHGJSA-N 303.402 4.030 0 40 DIAB CC(C)c1ccccc1NC(=O)COc1ccc(Cl)cc1 128382 OJCHLPLCXCRQDX-UHFFFAOYSA-N 303.789 4.481 0 40 DIAB O=C1c2ccccc2C(=O)N1c1ccccc1SC(F)(F)F 344688 YOJWBRRYZLIIRC-UHFFFAOYSA-N 323.295 4.099 0 40 DIAB CCCCc1c(OCC)cc2n(CC)c3ccccc3n2c1=O 1609072 ZOZGDAFFWZDRBE-UHFFFAOYSA-N 312.413 4.015 0 40 DIAB Cc1ccc(C)c(OCCCCn2c(CO)nc3ccccc32)c1 1926886 NHVHGBFFYOHADW-UHFFFAOYSA-N 324.424 4.005 0 40 DIAB CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(F)cc1 2414631 KZZSQGRCKCLCRL-HNNXBMFYSA-N 318.325 4.355 0 40 DIAB Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)C[C@@H](C)CC3 2438570 UJAVOTVBBMESEH-VIFPVBQESA-N 324.409 4.032 0 40 DIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 2740528 BPEUKPGNBOAOME-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB O=C(O[C@@H]1CCCCC1=O)c1ccccc1Oc1ccccc1 3290923 RNMVRPYKJORQCT-GOSISDBHSA-N 310.349 4.147 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C)nc2ccccc12 3358061 VVYBQKJECYPDRP-CQSZACIVSA-N 320.392 4.043 0 40 DIAB Cc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1F 3413008 CIYFXABTYSIWTK-UHFFFAOYSA-N 308.356 4.338 0 40 DIAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=S)N(c1ccc(Cl)cc1)N2 4811762 XKRBPEGOFCCSIK-MEDUHNTESA-N 323.893 4.082 0 40 DIAB CCCCN(CCCC)S(=O)(=O)c1ccc2ccccc2c1 5214488 UUDJWTHYZFQFNQ-UHFFFAOYSA-N 319.470 4.431 0 40 DIAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)s1 5317594 YBAVXEMFKKJTGT-UHFFFAOYSA-N 320.435 4.111 0 40 DIAB CC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1 6552202 RXLSOSMLKIBUPI-INIZCTEOSA-N 310.441 4.271 0 40 DIAB CC[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC)cc1 7037372 TYQJPWDLIWZBEI-INIZCTEOSA-N 309.365 4.323 0 40 DIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(C)c2C)c1C 7370197 LHXAVZWWSVOYGG-CQSZACIVSA-N 312.413 4.134 0 40 DIAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1 7522346 YQZSECYJSSGLDB-ZDUSSCGKSA-N 300.427 4.133 0 40 DIAB COc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)ccc2c1 8852108 KQYFEIBFEDKBIZ-UHFFFAOYSA-N 321.376 4.418 0 40 DIAB CCCCCC[C@@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 9483496 QGQNILBSICSYPZ-CYBMUJFWSA-N 302.418 4.265 0 40 DIAB C[C@@H]1Cc2cc(CNc3ccc(Br)cc3)ccc2O1 10299589 JVXIYLBNLFYHNQ-LLVKDONJSA-N 318.214 4.385 0 40 DIAB Clc1ccc2c(NCCc3c[nH]c4ccccc34)ncnc2c1 12893410 AIZOMIMBZQQHAN-UHFFFAOYSA-N 322.799 4.419 0 40 DIAB CCOc1ccc([C@H](C)NC(=O)NCCC2CCCC2)cc1 12986505 DFZBVUXYBWIEMQ-AWEZNQCLSA-N 304.434 4.026 0 40 DIAB Cc1cc([C@H]2CCCCCN2Cc2ccc(F)c(F)c2)on1 19120241 XBERGOHEPPTHOU-MRXNPFEDSA-N 306.356 4.379 0 40 DIAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 20139325 GNTIZUGVSOKJAN-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB O=C(c1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2o1 20369456 KLARBFONLKNSRY-UHFFFAOYSA-N 300.697 4.046 0 40 DIAB Fc1ccc(-n2nc(Cl)nc2-c2ccc(Cl)cc2)cc1 22125813 WYORETFJUBEHBF-UHFFFAOYSA-N 308.143 4.380 0 40 DIAB COc1ccc(Cl)cc1NC(=O)c1c[nH]c2ccccc12 24765016 PPHSDVZBSRUXQF-UHFFFAOYSA-N 300.745 4.082 0 40 DIAB CC(C)c1nnc(NC(=O)c2csc3c2CC[C@@H](C)C3)s1 25323386 KILBQRVVTYRAEY-SECBINFHSA-N 321.471 4.100 0 40 DIAB CCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c2ccccc21 32784565 KHKBVRMBTFBBJB-UHFFFAOYSA-N 306.365 4.116 0 40 DIAB O=C(Nc1cccc(Cl)c1F)N1CCC[C@H](C(F)(F)F)C1 40526669 BIIQYYSAMRCVRB-QMMMGPOBSA-N 324.705 4.285 0 40 DIAB Oc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1Cl 53193494 IOCZKEDCWYJXEJ-SFHVURJKSA-N 310.784 4.029 0 40 DIAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)no1 56342222 SYIKOJSWDFXGEE-ZDUSSCGKSA-N 305.765 4.005 0 40 DIAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2C)c1c(F)cccc1F 71902699 RCBMQPGQJRAZTH-NSHDSACASA-N 316.351 4.047 0 40 DIAB CCc1ccccc1NC(=O)Nc1ccc(C)c(NC(C)=O)c1 72282506 LCDWCQSYDSOALT-UHFFFAOYSA-N 311.385 4.160 0 40 DIAB Brc1cc2c(s1)CCN(Cc1ccccc1)C2 95097543 VDEQMKIUQRKUSF-UHFFFAOYSA-N 308.244 4.069 0 40 DIAB CCOC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1 95929470 GJPFKBHJOCLPBR-UHFFFAOYSA-N 317.197 4.370 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)NCc2cccs2)C1 102237598 NUMZZRGXHDDBLV-BLLLJJGKSA-N 308.516 4.023 0 40 DIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C 113960707 LOXGUPJJCDLCLW-INIZCTEOSA-N 303.789 4.445 0 40 DIAB CCOP(=O)(OCC)O[C@@H](c1ccc(OC)cc1)C(F)F 222064357 MCTVDRZLISTTQI-LBPRGKRZSA-N 324.260 4.199 0 40 DIAB Cc1ccc(C)c(C(=O)NCCOc2ccccc2C(C)C)c1 223832095 XWVSLKIYDSHEQG-UHFFFAOYSA-N 311.425 4.236 0 40 DIAB Cc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1 225017872 QBKPSPOZTLGBOX-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB Cc1cc(NC(=S)NCCC(C)C)ccc1Br 225379747 PZDONBIKRGBQIO-UHFFFAOYSA-N 315.280 4.090 0 40 DIAB COc1ccc([C@@H](CC(C)C)NC(=O)NC2CCCCC2)cc1 225755673 HLSTYWLVPHHZPJ-GOSISDBHSA-N 318.461 4.414 0 40 DIAB O=C(NCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 244078 FKBZEZUHCBXXSF-UHFFFAOYSA-N 313.828 4.468 0 40 DIAB Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1 420050 LDPHYYSRZOMQRU-UHFFFAOYSA-N 305.131 4.068 0 40 DIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)cc1 1986104 VQFGVJGICHQKAG-SDNWHVSQSA-N 309.409 4.472 0 40 DIAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 2610352 OGPMPAUGGNRKAU-UHFFFAOYSA-N 310.378 4.071 0 40 DIAB COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1Cl 2653851 OTOVITBFBDWVBK-GFCCVEGCSA-N 303.789 4.481 0 40 DIAB c1ccc2sc(COc3ccc(-n4ccnc4)cc3)nc2c1 5265404 HFOIWBOWYCEREV-UHFFFAOYSA-N 307.378 4.061 0 40 DIAB CC(C)(C)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1 7433787 FHJQYIKWAPIOTK-UHFFFAOYSA-N 324.468 4.012 0 40 DIAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)O)cc12 15828890 COAWWPNIDAICKI-UHFFFAOYSA-N 311.312 4.138 0 40 DIAB c1ccc2c(c1)OC[C@@H](CSc1cccc3cccnc13)O2 16524994 RLAWSJFCUYXNDX-AWEZNQCLSA-N 309.390 4.167 0 40 DIAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2OCc2ccccc2)C1 20730813 OYOPLICHMBEKAL-OAHLLOKOSA-N 319.364 4.112 0 40 DIAB O=C(Nc1ccccc1F)N[C@H]1CCC[C@H](C(F)(F)F)C1 25238524 ZLYUAPIHHSOUAS-UWVGGRQHSA-N 304.287 4.068 0 40 DIAB Cc1ccc(-n2ncc(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 29508002 SEWXOLHBQHACQS-UHFFFAOYSA-N 319.408 4.358 0 40 DIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 36562711 ULMVJVBENWRWSY-SUMWQHHRSA-N 317.816 4.375 0 40 DIAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)n(C)n1 40072590 YDSQNGQFWQTUMS-PKNBQFBNSA-N 323.421 4.109 0 40 DIAB CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2F)cc1C1CC1 42709723 MEULXCMWVSZDLA-UHFFFAOYSA-N 319.355 4.046 0 40 DIAB CC(C)c1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210417 BUDNKTJZUJTFNW-UHFFFAOYSA-N 302.395 4.148 0 40 DIAB Cc1ccc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1 79440757 ZVTJLNQGPJPPHP-AWEZNQCLSA-N 322.474 4.272 0 40 DIAB Cc1cc(NCCN2CCc3ccccc3C2)c2ccccc2n1 89583198 BRBWXUAIOZWEKF-UHFFFAOYSA-N 317.436 4.013 0 40 DIAB Cc1noc(C)c1CCN[C@H](C)c1ccccc1C(F)(F)F 95422133 GFPHFTNCCLGADE-SNVBAGLBSA-N 312.335 4.204 0 40 DIAB C[C@H](N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1)c1ccncc1 95427058 ZTAAURZINKAKGE-QWRGUYRKSA-N 300.793 4.023 0 40 DIAB C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95869858 IBMZAHKIAAJREF-ONNYUIQLSA-N 318.501 4.307 0 40 DIAB CCN(Cc1ccncc1)c1ccc(Br)cc1F 95915704 JWZAEBYMNXLDTC-UHFFFAOYSA-N 309.182 4.010 0 40 DIAB COC(=O)/C(=C/c1ccsc1)c1nc(C(C)(C)C)cs1 95979272 QKWLUMCGEUOUOK-YRNVUSSQSA-N 307.440 4.216 0 40 DIAB O[C@]12O[C@@]34CCCC[C@@H]3C[C@]13CCC[C@H]2C[C@@H]1CCCC[C@@]13O4 100601159 GMYSGDXPXKUMOX-NIPLRTIXSA-N 318.457 4.131 0 40 DIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 113960096 RHCQBVQFFCGXIC-CABCVRRESA-N 315.388 4.087 0 40 DIAB C[C@@H](CC(=O)c1ccc(N2CCOCC2)cc1)CC(C)(C)C 203333215 DXSLIKXVROYTOU-HNNXBMFYSA-N 303.446 4.168 0 40 DIAB O=C(c1ccsc1)N1CCS[C@@H](c2cccs2)CC1 219500556 FECRKSUAHUKYTN-CYBMUJFWSA-N 309.481 4.130 0 40 DIAB Cc1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222601767 JHCWWUVIKXPZFO-UHFFFAOYSA-N 323.783 4.358 0 40 DIAB O=C1Nc2ccccc2S/C1=C\c1ccc(Br)o1 409094276 DEFGIUSXASOKJN-XFFZJAGNSA-N 322.183 4.127 0 40 DIAB Cc1ccc2sc(N3CC[C@H](c4ccccn4)C3)nc2c1C 1458336517 GJOHSDRFYBARPO-AWEZNQCLSA-N 309.438 4.302 0 40 DIAB Cc1cc(Br)ccc1NC(=O)c1ccccc1F 304534 CFHWPECZNCQHRJ-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc(F)cc2)o1 428780 GJEXMTFVGQNVQM-UHFFFAOYSA-N 308.316 4.180 0 40 DIAB CCC(=O)[C@H](C)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1 2074650 PGMKJVNNBZNCIM-KXBFYZLASA-N 309.409 4.115 0 40 DIAB CCC(CC)c1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 2888753 IOPOMORGCLEBQP-JXMROGBWSA-N 319.405 4.233 0 40 DIAB CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 4758236 GUBNWXDDDXQJOQ-WSIJOFGPSA-N 306.490 4.141 0 40 DIAB in-vitro CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1 4946316 JYOCFJAVCCRLHN-HKUYMTLNSA-N 314.425 4.180 0 40 DIAB CCCCCCC(=O)Nc1nc(-c2ccccc2O)cs1 5417933 ZQRSIRZLXDQOIA-UHFFFAOYSA-N 304.415 4.425 0 40 DIAB CCc1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 5477453 FDJCSIWJLCRPAL-UHFFFAOYSA-N 315.241 4.197 0 40 DIAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 6472601 MGMOLZNAUACBCR-VUJKKSPKSA-N 318.457 4.011 0 40 DIAB Cc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c1C 7454770 YQSHDPQPQMWNFY-HNNXBMFYSA-N 314.404 4.074 0 40 DIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)c1 7510366 GSTIXEFCCGRVPJ-UHFFFAOYSA-N 321.380 4.223 0 40 DIAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)n1 7817096 WIEHCUJVAHSELV-NSHDSACASA-N 318.467 4.060 0 40 DIAB C[C@H](CCc1ccccc1)NC(=S)Nc1cccc(F)c1 8264313 LLIRGZAXJIBKAH-CYBMUJFWSA-N 302.418 4.133 0 40 DIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(F)c2)cc1 9064442 YGCFKWKQDSJZQC-AWEZNQCLSA-N 312.388 4.457 0 40 DIAB COc1ccccc1Nc1nnc(SCCC(C)C)s1 12526566 HPQNUHVWPGLYDQ-UHFFFAOYSA-N 309.460 4.429 0 40 DIAB Cc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1C 12561635 AELQHJIDUZPNAL-UHFFFAOYSA-N 306.409 4.078 0 40 DIAB O=C(NCCCCc1ccccc1)[C@@H]1CCCc2ccccc21 25673105 NKXKMOBWUDWAAS-HXUWFJFHSA-N 307.437 4.246 0 40 DIAB Cc1ccc2nc(C)c(C(=O)N(C3CC3)[C@@H](C)C3CC3)cc2c1 32810340 ROZOFHCMLBQIIE-AWEZNQCLSA-N 308.425 4.255 0 40 DIAB Cc1cc(Br)ccc1NC(=O)N1CCCCCC1 40103648 NJACCYQWYFZWJS-UHFFFAOYSA-N 311.223 4.165 0 40 DIAB CCN(CC)C(=O)c1ccc(-c2ccccc2Br)o1 41127333 LQMICGJHVLGELE-UHFFFAOYSA-N 322.202 4.191 0 40 DIAB COCc1ccccc1NC(=O)N(Cc1ccccc1)C(C)C 69560882 BMUARFAFYLLOCH-UHFFFAOYSA-N 312.413 4.276 0 40 DIAB CN(Cc1cccc(Cl)c1)Cc1csc(N(C)C2CC2)n1 79105523 NDONWXKRLXURHE-UHFFFAOYSA-N 321.877 4.027 0 40 DIAB CCc1nnc(-c2ccc(NCc3cccc4[nH]ccc34)cc2)o1 95429357 XFURQJSBTJVHLR-UHFFFAOYSA-N 318.380 4.392 0 40 DIAB Cc1ccc(Cl)cc1[C@H](O)c1cccc(Br)c1 95730258 GIYQIEOSWKTKOR-CQSZACIVSA-N 311.606 4.493 0 40 DIAB O=C(O[C@H](c1ccccc1)c1cccnc1)C1[C@H]2CCCC[C@H]12 101500453 QANPMTLVNCGFAP-JENIJYKNSA-N 307.393 4.150 0 40 DIAB C[C@H](NC(=S)Nc1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102193804 XZKCLKHVIYSXGI-ZDEQEGDKSA-N 308.878 4.451 0 40 DIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(C(F)(F)F)c1 102415089 IUYLMAHTDIGPIR-UBHSHLNASA-N 311.347 4.148 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1Cl 114426422 CLPNXRRXVLESHE-GFCCVEGCSA-N 303.789 4.148 0 40 DIAB CCc1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219848727 RCKWWMYVZIGHGI-UHFFFAOYSA-N 322.452 4.413 0 40 DIAB CC(C)OC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496287 GIYXGKMZPSDCCC-UHFFFAOYSA-N 304.434 4.359 0 40 DIAB CCc1ccc(CC)c(CNC(=O)Cc2ccc(C)c(C)c2)c1 225682603 WUDQQNDOZDLNIY-UHFFFAOYSA-N 309.453 4.287 0 40 DIAB Cc1cccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)c1 226354943 RLJOWNLUIZRJQL-UHFFFAOYSA-N 324.163 4.252 0 40 DIAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]21CCO1 250859170 SPPQPIJYSMWOGE-LTGKAUERSA-N 316.485 4.469 0 40 DIAB biogenic Oc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 411435 PGNGYNHYVBXHNG-UHFFFAOYSA-N 318.785 4.388 0 40 DIAB CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 489347 HTHAQUXWPAMGNA-IBGZPJMESA-N 321.461 4.250 0 40 DIAB CN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 2622238 KYWVTILGTPVZHN-UHFFFAOYSA-N 303.789 4.160 0 40 DIAB Cc1cc(C)n2nc(SCc3cccc4ccccc34)nc2n1 3449917 PPGSUPGKMCMRJG-UHFFFAOYSA-N 320.421 4.187 0 40 DIAB COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c1 3554174 LHLZDXDPVRQSAB-MDZDMXLPSA-N 301.773 4.309 0 40 DIAB CCC[C@H]1C2=C(OC(=O)C1(C)C)c1ccc(OC)cc1CC2 3850194 FRIZANYPWBEYHQ-INIZCTEOSA-N 300.398 4.352 0 40 DIAB biogenic Cc1cccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 3892450 DSKVCFLBSVALOM-UHFFFAOYSA-N 306.361 4.169 0 40 DIAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)O 4976760 LJFJPDHXAWVDSA-WOSRLPQWSA-N 304.386 4.002 0 40 DIAB in-vitro Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1F 5702068 KZNDOWXMUQDMLS-UHFFFAOYSA-N 308.150 4.149 0 40 DIAB CCOc1cc2c(cc1C/C=C\c1ccc(OC)cc1)OCO2 5765660 IWDJIZYURLLLMQ-PLNGDYQASA-N 312.365 4.079 0 40 DIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)o1 5944274 CWOYFKLYKHYTOA-FEAKQIBJSA-N 312.365 4.033 0 40 DIAB CCCN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 6246203 GTMNIQFCDOUBPH-LJQANCHMSA-N 304.393 4.134 0 40 DIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 6343236 GYELZKJNCMFXHN-LLVKDONJSA-N 324.207 4.250 0 40 DIAB CCC[C@@H](C)C(=O)Nc1nnc(CSc2ccccc2)s1 9355800 XTTRSAJINSCQHM-LLVKDONJSA-N 321.471 4.205 0 40 DIAB O=C(Cc1cccs1)Nc1nc(-c2cccs2)cs1 9762140 VJDRFASEMVRQBD-UHFFFAOYSA-N 306.437 4.114 0 40 DIAB Cc1cccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 11915873 CPMGKXIYSPWQMS-UHFFFAOYSA-N 320.367 4.376 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccc(F)cc1 12976173 QWSPSOXMNMTMBO-UHFFFAOYSA-N 323.367 4.335 0 40 DIAB CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(C)c(C)c12 13685538 MAQYEVIWTIHJKN-HEHNFIMWSA-N 312.457 4.427 0 40 DIAB CCOc1ccc(NC(=S)Nc2cc(F)ccc2C)cc1 13840419 XLKQFGYSEXXUBJ-UHFFFAOYSA-N 304.390 4.342 0 40 DIAB CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1Cl 20051059 PUJXXKARSGTPLI-UHFFFAOYSA-N 317.772 4.077 0 40 DIAB Cc1cc(C)cc(OCC(=O)Nc2cccc3ccc(C)nc23)c1 20407921 GXSHVOXXBVPSRV-UHFFFAOYSA-N 320.392 4.178 0 40 DIAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1C 21126341 AEYQATFNQMVION-UHFFFAOYSA-N 311.381 4.041 0 40 DIAB CN(Cc1cccs1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26291277 HAVKGQDXEDVJND-MNOVXSKESA-N 320.380 4.011 0 40 DIAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 28579806 BHAIUOFQGYHKGY-LLVKDONJSA-N 304.777 4.231 0 40 DIAB CN(C)C(=O)c1ccc(NCc2cccc3ccccc23)cc1 32797179 FZZMXGZKZHGPGO-UHFFFAOYSA-N 304.393 4.154 0 40 DIAB Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCc3ccccc32)cc1C 32850823 YQOWBRFSWCVYOE-LJQANCHMSA-N 321.420 4.070 0 40 DIAB CCCCC(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 32931053 QWBZZBZXAZNROW-UHFFFAOYSA-N 312.413 4.297 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccccc1 36562754 MIXODYIDDGTTOR-MOPGFXCFSA-N 311.425 4.420 0 40 DIAB Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)s1 36761078 VVNIXXYWQINAIU-UHFFFAOYSA-N 310.378 4.496 0 40 DIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2ccc(F)cc21 40117130 WLFGLBYBSUELCV-UHFFFAOYSA-N 323.289 4.438 0 40 DIAB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 44843622 BDGVVGBOTIBYFE-ZDUSSCGKSA-N 319.857 4.479 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)C1CCCCC1 44947986 REFADBGHFRNPNP-QGZVFWFLSA-N 303.446 4.252 0 40 DIAB c1cc(-c2nc(CN3CCO[C@H]4CCCC[C@@H]43)cs2)cs1 48299893 UZWOKAXXOLPCNF-GJZGRUSLSA-N 320.483 4.015 0 40 DIAB CC1(C)CC[C@@H](NCc2cccc3c2OCO3)c2ccccc21 58065128 YMFWDXDBFAJRQD-QGZVFWFLSA-N 309.409 4.318 0 40 DIAB CCc1cccc(C)c1NC(=O)C1=NO[C@H](c2ccccc2)C1 59423236 LSXVRMUNAUVPBV-KRWDZBQOSA-N 308.381 4.014 0 40 DIAB CNc1nc2c(s1)[C@H](c1cc(Cl)ccc1F)CC(O)=N2 61718711 BXNCGCUTPBSRIE-QMMMGPOBSA-N 311.769 4.101 0 40 DIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2)c1 68955320 JAOMJCOGPMOOLP-INIZCTEOSA-N 311.425 4.202 0 40 DIAB CCC[C@H]1CCCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 69451686 KXJSCEBGPJZYFV-LBPRGKRZSA-N 312.504 4.085 0 40 DIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]21 71771262 AZQAIRJYCUWZPD-WKWVNEEDSA-N 300.442 4.302 0 40 DIAB FC(F)(F)C(F)(F)COc1ccc(Br)cc1 72265781 HMSHGCWTMHOXEA-UHFFFAOYSA-N 305.040 4.026 0 40 DIAB CCN(C(=O)Nc1ccc(OC)c(C)c1)[C@@H](C)c1cccnc1 72286343 WLYPVYFLLXRCFW-AWEZNQCLSA-N 313.401 4.014 0 40 DIAB C[C@@H](C(=O)Nc1cccc(Br)c1)c1ccccc1 85409047 PDWYLNWXNDZDHG-LLVKDONJSA-N 304.187 4.191 0 40 DIAB Nc1cccc(-c2nc(-c3ccccc3C(F)(F)F)no2)c1 89262391 GBKXQDVHKPKXKX-UHFFFAOYSA-N 305.259 4.005 0 40 DIAB CCCCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N 101470489 NAFPNJWQOFOCAL-UHFFFAOYSA-N 323.352 4.429 0 40 DIAB c1cc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)cs2)cs1 106108281 UZWOKAXXOLPCNF-CABCVRRESA-N 320.483 4.015 0 40 DIAB c1ccc(-c2nccc(N3CCS[C@@H]4CCCC[C@H]43)n2)cc1 107074945 VLDJJEJDQIHDNE-HZPDHXFCSA-N 311.454 4.008 0 40 DIAB O=C(O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 110074434 LBUUHHWFGQXKNS-UHFFFAOYSA-N 322.345 4.317 0 40 DIAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)C[C@@]4(C)CC[C@@H]32)C1 118917825 OUMKTFKBXXEGOM-MZIGQENKSA-N 304.474 4.325 0 40 DIAB CCc1c(-c2ccccc2)[n+](=O)c(-c2ccccc2)c(CC)n1O 136087111 FGYUKGCNCBLHBC-UHFFFAOYSA-N 321.400 4.099 0 40 DIAB COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2c1 216921926 IYWIRNUHIPNUTL-UHFFFAOYSA-N 321.163 4.323 0 40 DIAB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCC2 223257241 RHEFLKNJIWDYNP-ZDUSSCGKSA-N 313.828 4.249 0 40 DIAB Cc1cccc(C[C@H](Oc2ccccc2Cl)C(=O)O)c1C 225022269 VRGFUGDLAVGRGS-INIZCTEOSA-N 304.773 4.032 0 40 DIAB Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2Cl)C(=O)O)c1 225056889 RTUMYMAYUZWCTM-QGZVFWFLSA-N 318.800 4.340 0 40 DIAB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(OC)c(C)c1 225092997 GWLCHUZYGDSFMZ-GOSISDBHSA-N 311.425 4.204 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1C 225629274 OYKGIASQUPOQIQ-HNNXBMFYSA-N 319.445 4.460 0 40 DIAB CCCOc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629537 LFGPDADXZGRBNO-UHFFFAOYSA-N 319.445 4.380 0 40 DIAB CC(C)Oc1cccc(NC(=S)NCc2ccccc2F)c1 225836048 WNFTZICUIZWOGJ-UHFFFAOYSA-N 318.417 4.100 0 40 DIAB Cc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)nc1 225872358 WFFWLRFZXRCOFT-UHFFFAOYSA-N 311.454 4.146 0 40 DIAB C[C@@H](NC[C@@H]1CCSC1)c1ccc(C(F)(F)F)nc1Cl 585118322 KKMSTLVSZCSZFC-BDAKNGLRSA-N 324.799 4.158 0 40 DIAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 68234 UPNBLYRZLRODOE-CSKARUKUSA-N 309.365 4.191 0 40 DIAB O=C(N/C=C/c1ccco1)OCc1c(Cl)cccc1Cl 1382456 XKFSVPKTDZYRAJ-VOTSOKGWSA-N 312.152 4.484 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 3402960 VIEODOIYRYPMMW-UHFFFAOYSA-N 310.180 4.319 0 40 DIAB CCc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1 4108463 SQXZSZQJCBJWCM-UHFFFAOYSA-N 310.422 4.461 0 40 DIAB COc1ccc(/C=C/c2nc(=O)c(-c3ccccc3)c(C)o2)cc1 4317322 NCMSCXKCSDXRIE-JLHYYAGUSA-N 319.360 4.189 0 40 DIAB COC(=O)c1ccc(OCc2cccc3ccccc23)c(OC)c1 5453024 NIESZNUFZHZZEF-UHFFFAOYSA-N 322.360 4.214 0 40 DIAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1cccc(F)c1 7917953 DWLBEMSOBLEMKD-LLVKDONJSA-N 317.389 4.130 0 40 DIAB O=C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8316519 OMZYHBOEAUZNGU-UHFFFAOYSA-N 323.392 4.000 0 40 DIAB CCCOc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1 8612353 BAPQZLXEXXVMRP-UHFFFAOYSA-N 322.364 4.383 0 40 DIAB Cc1cccc(N[C@@H](c2ccc(C(C)C)cc2)P(=O)(O)O)c1 12526547 XNJSPVRQWUYJHT-QGZVFWFLSA-N 319.341 4.407 0 40 DIAB O=C(c1cccc(-n2cccc2)c1)N1CC[C@H]2CCCC[C@H]2C1 12555404 FJXDURMNLJSLDJ-AEFFLSMTSA-N 308.425 4.130 0 40 DIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1F 12768588 DLDUWDYBQHQUHD-UHFFFAOYSA-N 317.791 4.331 0 40 DIAB O=C(Cc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 12807613 LEMKVVIEYRACRH-HNNXBMFYSA-N 317.841 4.236 0 40 DIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)cc1F 12907207 ASFBUZBAQQVKNJ-CQSZACIVSA-N 323.339 4.071 0 40 DIAB O=C(Cc1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 12995202 RQLBUPMMHYXLJO-CYBMUJFWSA-N 323.870 4.297 0 40 DIAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1 13136928 GBAHPMMVENBPNR-IHRRRGAJSA-N 309.837 4.148 0 40 DIAB COc1cccc(CN(Cc2cccnc2)Cc2cccs2)c1 13569707 KTYRYXNLGJWIQZ-UHFFFAOYSA-N 324.449 4.354 0 40 DIAB CCc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 15199168 CLRLKEMJURXBAB-INIZCTEOSA-N 315.413 4.355 0 40 DIAB Clc1ccc(-c2cnc(Cn3cnc4ccccc43)o2)cc1 15551332 CJEAFSGCBCBLIP-UHFFFAOYSA-N 309.756 4.393 0 40 DIAB CC(C)c1n[nH]c(SCCOc2ccc(C(C)(C)C)cc2)n1 21244638 MMMANZQUYZNPPW-UHFFFAOYSA-N 319.474 4.397 0 40 DIAB FC(F)(F)c1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 24527534 CNBBZSWXJFDZAO-UHFFFAOYSA-N 317.314 4.144 0 40 DIAB Cc1ccc(F)cc1NC(=O)CNc1cccc2c1CCCC2 30289753 JIJITQNKHLDZAQ-UHFFFAOYSA-N 312.388 4.064 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)N2CCCc3ccccc32)c1C 30755278 ZVCVEIRXRNSZQF-MRXNPFEDSA-N 309.409 4.050 0 40 DIAB Cc1nc2ccc(NC(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2s1 40103274 GQDKQKXECCVSMI-PHIMTYICSA-N 303.431 4.115 0 40 DIAB Clc1ccc(NCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 40174513 HUBSRPFAAPXJQK-UHFFFAOYSA-N 319.195 4.391 0 40 DIAB Cc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccco2)o1 57977275 UJNWABGBSXITRW-TZZQJPOUSA-N 307.349 4.100 0 40 DIAB CN(C(=O)CCC1CCCCC1)c1cc(-c2ccccc2)[nH]n1 65566878 RWANOIXVUVAPAY-UHFFFAOYSA-N 311.429 4.400 0 40 DIAB CCC[C@@H](N[C@H]1CCCN(c2ccccc2)C1)c1ccccn1 95980743 KRUHQHKDTUHBQG-FXAWDEMLSA-N 309.457 4.181 0 40 DIAB COc1ccc(CCCC(=O)NC2CCCCCC2)c(C)c1 140568142 OPCWBSDXAYPAES-UHFFFAOYSA-N 303.446 4.165 0 40 DIAB CCCOc1cccc(C(=O)n2c(C)c(C=O)c3ccccc32)c1 216957209 IUQHOZIRVOZRCO-UHFFFAOYSA-N 321.376 4.240 0 40 DIAB CC[C@@H](NC(=O)COc1ccccc1F)c1ccc(C)cc1C 222778397 PXHJZCYGOIDUNG-QGZVFWFLSA-N 315.388 4.089 0 40 DIAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](c2ccsc2)C1 670902949 XFAXUEDLSCMAJJ-JTQLQIEISA-N 309.793 4.170 0 40 DIAB O=N[C@H](C1=CCCNCC(C(F)(F)F)=CC1)c1cccs1 2060993572 XYXVVZDACNDEDH-CYBMUJFWSA-N 316.348 4.354 0 40 DIAB CC(C)Cc1ccc([C@@H](C)C(=O)OCCCCCC(=O)O)cc1 2061000295 WPTYSJXVKMWFCQ-OAHLLOKOSA-N 320.429 4.177 0 40 DIAB O=C(Nc1cccc(F)c1)/C(Br)=C/c1ccccc1 113559 NQJYZGOYVCKQIL-ZROIWOOFSA-N 320.161 4.200 0 40 DIAB Cc1ccccc1OC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 1637032 HDJIFMJPTSYWII-RDJZCZTQSA-N 304.773 4.141 0 40 DIAB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccccc1Cl 2323860 BZTSMNIIIDBIHN-NEPJUHHUSA-N 311.809 4.196 0 40 DIAB COCc1c(C(=O)Nc2cc(C)cc(C)c2)oc2ccccc12 2647962 GKIMRTWQQHZTHT-UHFFFAOYSA-N 309.365 4.448 0 40 DIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 3560945 KETOFGJZVGZXDM-UHFFFAOYSA-N 315.678 4.491 0 40 DIAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n3ncnc3n2)cc1 3644999 MSRCDUIZRJXHIM-UHFFFAOYSA-N 320.783 4.420 0 40 DIAB C[C@H]1CC(=O)C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]12C 3881975 UXYRZJKIQKRJCF-FNJQTMKGSA-N 304.474 4.205 0 40 DIAB biogenic CCCCCO[P@@](C)(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4026828 OBQHAFZZMZRBHR-GCKMJXCFSA-N 317.410 4.297 0 40 DIAB biogenic Cc1ccc(-c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)o1 4160861 DCZNQLFFFUMEPA-UHFFFAOYSA-N 321.332 4.206 0 40 DIAB CN(C)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 5334208 LNNYVJZXAHXBSV-UHFFFAOYSA-N 309.196 4.312 0 40 DIAB CC(=O)Oc1ccc([C@H]2OC[C@H]3[C@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 5389438 SRZZJSRTPWVXAD-ZHCWCREGSA-N 300.398 4.148 0 40 DIAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(F)cc1 5509802 FBZNPJDCUNQNFF-CYBMUJFWSA-N 301.361 4.357 0 40 DIAB CC(C)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557269 LHNCYDVGDPXDEK-UHFFFAOYSA-N 313.441 4.172 0 40 DIAB CC(C)c1ccc(CN(C)C(=S)NC2CCCCC2)cc1 7662308 IMIHCLAVICAFPX-UHFFFAOYSA-N 304.503 4.449 0 40 DIAB Cc1nc(S[C@H](C)C(=O)c2ccccc2)c2ccccc2n1 7777262 OIHVQHWPJMBOJW-GFCCVEGCSA-N 308.406 4.302 0 40 DIAB O=C(Nc1onc2c1CCCC2)c1ccc(Cl)cc1Cl 8976547 MCUVHAMVQGLASN-UHFFFAOYSA-N 311.168 4.113 0 40 DIAB O=C1c2ccccc2N[C@H](c2ccc(Cl)s2)N1C1CC1 11034736 NRQCVBCXFVAZJI-AWEZNQCLSA-N 304.802 4.130 0 40 DIAB c1ccc(CNc2ncc(-c3ccco3)c(-c3ccco3)n2)nc1 12144357 HRUJROCCYGCESL-UHFFFAOYSA-N 318.336 4.004 0 40 DIAB O=C(OCc1c(Cl)cccc1Cl)c1n[nH]c2ccccc12 12580554 MQCVODNYKDQIHP-UHFFFAOYSA-N 321.163 4.227 0 40 DIAB COc1ccc(CCNC(=O)C2CCC(C(C)(C)C)CC2)cc1 12809377 SOCTZLVEKBOBJB-UHFFFAOYSA-N 317.473 4.206 0 40 DIAB O=C(OCc1ccccc1Cl)[C@@H]1Cc2cc(Cl)ccc2O1 12818358 ZUFWEJSRCYKEIG-HNNXBMFYSA-N 323.175 4.040 0 40 DIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 15366668 UQSKNLICRPPNSP-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB Cc1ccccc1-c1noc(-c2cccc(NC(=O)C3CC3)c2)n1 20900007 WCJIDFGZMRZXKD-UHFFFAOYSA-N 319.364 4.061 0 40 DIAB CC(C)[C@H](NC(=O)CCOc1cccc(F)c1)c1cccs1 32421889 VSENUIGLSMKZHY-KRWDZBQOSA-N 321.417 4.170 0 40 DIAB C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1cccs1 32930644 QFFPIEVAEFUVIF-LBPRGKRZSA-N 307.846 4.082 0 40 DIAB O[C@@H](CSCc1ncc(-c2ccccc2)o1)c1ccccc1 40134563 SNWHEOQUFBTZMY-INIZCTEOSA-N 311.406 4.308 0 40 DIAB CC/C=C(\C)C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 40151847 VKFYMFKFIITQHS-OQLLNIDSSA-N 323.392 4.192 0 40 DIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1c2ccccc2C[C@@H]1C 44949000 FQDGYSHMKCYAMT-JXFKEZNVSA-N 323.436 4.439 0 40 DIAB CC(=O)c1ccccc1NC(=O)c1csc(-c2ccccc2)n1 71801399 VXXMZAIARPUTCG-UHFFFAOYSA-N 322.389 4.265 0 40 DIAB Cc1cnc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)s1 72240194 KQOQGZRZXZYHIP-UHFFFAOYSA-N 316.382 4.237 0 40 DIAB Nc1ccc(-c2nc3ccc(F)cc3s2)c(Br)c1 73639301 BJEUFGJOPSETLP-UHFFFAOYSA-N 323.190 4.447 0 40 DIAB CC(C)(C)CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 84169868 IPWSLGGNXSCMIG-UHFFFAOYSA-N 311.351 4.027 0 40 DIAB Nc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 89262387 RJADXIRJIZWLIC-UHFFFAOYSA-N 306.152 4.293 0 40 DIAB O=c1[nH]c2cc(Cl)c(Cl)cc2nc1/C=C/c1ccccc1 91297448 AREPENUMZNAUTL-VOTSOKGWSA-N 317.175 4.400 0 40 DIAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 113951834 XVSGLDVTDFJDGI-QGZVFWFLSA-N 301.361 4.184 0 40 DIAB CCOC(=O)c1csc(-c2ccccc2C(F)(F)F)n1 164576456 QGLTZRLPKRDDSL-UHFFFAOYSA-N 301.289 4.006 0 40 DIAB Cc1ccccc1-c1nnc(-c2c(C)nc3ccc(Cl)cn23)o1 216601567 OQZPRWXGIIPTRJ-UHFFFAOYSA-N 324.771 4.322 0 40 DIAB Cc1cccc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1 216739085 ZNCSOPDTIRAIHR-UHFFFAOYSA-N 320.186 4.024 0 40 DIAB CC1(C)COc2ccc([C@@H](O)c3ccc(Cl)cc3)cc2OC1 225356472 HIPVHBZCYHHKBZ-KRWDZBQOSA-N 318.800 4.219 0 40 DIAB CC(C)Oc1c(Cl)cc(Br)c2cccnc12 225393564 CUCUBRIJLXXKOB-UHFFFAOYSA-N 300.583 4.438 0 40 DIAB O=C(Cc1ccccc1F)NCCCc1cccc2ccccc12 225451005 BGBSAJHNHIFWLQ-UHFFFAOYSA-N 321.395 4.270 0 40 DIAB Cc1cc(C)cc(C2=CCN([C@H](C(=O)O)c3ccccc3)CC2)c1 568402494 KVDARNXOCMUFAL-FQEVSTJZSA-N 321.420 4.218 0 40 DIAB Nc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)cc1F 1504250507 XLKDUVIJNNOVQL-UHFFFAOYSA-N 307.193 4.497 0 40 DIAB CC(C)C[C@H](N)C1(c2ccc(Br)c(F)c2)CCC1 1772714961 RTFGSEVRUBIHHF-AWEZNQCLSA-N 314.242 4.383 0 40 DIAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)c1 304372 OJUZFEKMUXEZBK-UHFFFAOYSA-N 309.818 4.066 0 40 DIAB O=C(CSCc1ccccc1)Nc1nc2ccccc2s1 574068 JPLYMFNVOWDCMF-UHFFFAOYSA-N 314.435 4.168 0 40 DIAB CCCCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 1807391 UXFYSIOPSIHAJN-UHFFFAOYSA-N 303.402 4.162 0 40 DIAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3336848 BNCBGONBJJILJV-ZETCQYMHSA-N 313.184 4.089 0 40 DIAB O=C(OCc1nc2ccccc2s1)c1ccccc1Cl 5059339 TZZPHMKSVNYOPH-UHFFFAOYSA-N 303.770 4.307 0 40 DIAB O=C(Cc1cccc2ccccc12)NCCCc1ccccc1 5443611 SRUWHXWYQSFVNY-UHFFFAOYSA-N 303.405 4.131 0 40 DIAB CCOc1ccc(NC(=S)NCCC2=CCCCC2)cc1 6329035 BIHCVWGMIZRFOJ-UHFFFAOYSA-N 304.459 4.262 0 40 DIAB Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 7052653 RQRHSKCYCJVOLE-UHFFFAOYSA-N 316.209 4.103 0 40 DIAB Cc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 7053142 UUAAJEVZWIJPES-MDZDMXLPSA-N 321.829 4.369 0 40 DIAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1ccccc1F 7755106 JLGFFIUNYCPHKF-UHFFFAOYSA-N 323.367 4.335 0 40 DIAB CCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 7942437 DMLPWGYDOXOBQN-UHFFFAOYSA-N 313.397 4.101 0 40 DIAB CSc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 8039876 CRPLHZXYSQSQFH-UHFFFAOYSA-N 301.411 4.043 0 40 DIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1cccs1 8774396 XHSIGAORLUVEMJ-NSHDSACASA-N 312.394 4.203 0 40 DIAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 9204839 IUTVQDYEDGOUAX-UHFFFAOYSA-N 321.376 4.131 0 40 DIAB CCCOc1cccc(C(=O)NCc2ccccc2Cl)c1 9259584 TZNCJZFGQJBHOG-UHFFFAOYSA-N 303.789 4.059 0 40 DIAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 12615843 OERRZUJLNAKBDZ-UHFFFAOYSA-N 318.376 4.044 0 40 DIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccccc1F 12798229 STZVTHKSSHEHQY-MDZDMXLPSA-N 307.271 4.079 0 40 DIAB CSc1ccc(Cl)c(C(=O)NCc2cccc(C)c2)c1 12987419 IYTZFOWLFGLDSG-UHFFFAOYSA-N 305.830 4.300 0 40 DIAB Cc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1 13612712 LRGVIUAEIPRVCJ-UHFFFAOYSA-N 319.857 4.447 0 40 DIAB Cc1cccc(CNC(=O)CSCc2cccc(Cl)c2)c1 13613509 TXMKRLDDWVGYCW-UHFFFAOYSA-N 319.857 4.198 0 40 DIAB O=C(Oc1ccccc1Cl)c1cc(-c2cccs2)on1 15669793 SGIHLMWMEXOKNA-UHFFFAOYSA-N 305.742 4.276 0 40 DIAB CC(=O)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 17066503 BWVSOBQDKKGKSR-SFHVURJKSA-N 324.449 4.253 0 40 DIAB CCOC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 20863096 YSXRHFCAGMYXJU-UHFFFAOYSA-N 305.761 4.487 0 40 DIAB CCOc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 21898740 SLNNZIDHDVIYLT-HNNXBMFYSA-N 313.422 4.052 0 40 DIAB O=C(NCC1(c2cccs2)CC1)c1cccc2ccccc12 22680261 GXABEYXDYQKTDX-UHFFFAOYSA-N 307.418 4.363 0 40 DIAB O=C(Nc1ccccc1F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25238516 ZLYUAPIHHSOUAS-ZJUUUORDSA-N 304.287 4.068 0 40 DIAB O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 30834265 HZMVACKSRNVBFH-UHFFFAOYSA-N 319.282 4.407 0 40 DIAB CC(C)Cc1nnc(NC(=O)Nc2ccccc2Cl)s1 32611061 SKDFJNFVWNSCLR-UHFFFAOYSA-N 310.810 4.034 0 40 DIAB COc1ccc(Br)cc1CNc1ccc(C)cc1 36804456 VOBCLRBEPKEHBG-UHFFFAOYSA-N 306.203 4.378 0 40 DIAB COc1ccc(OC)c(C(=O)c2cc(Cl)ccc2Cl)c1 37353817 UEPWZOYPKJXZJB-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB CC(=O)Oc1cccc(C(=O)c2cc(Cl)cc(Cl)c2)c1 43209890 PVDIUKSETSQTBD-UHFFFAOYSA-N 309.148 4.150 0 40 DIAB CCCCn1c(S[C@@H](C)c2nnc(CC)o2)nc(C)c1C 71893955 XOYJOYUSJXDJHS-LBPRGKRZSA-N 308.451 4.099 0 40 DIAB c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCCC2)cc1 72216009 LDLJLIJBAIQHOG-FQEVSTJZSA-N 321.468 4.409 0 40 DIAB Cc1cc(Cl)ncc1[C@H]1CCCN1C(=O)c1ccccc1 72217848 VHOVEBNBUCRYBV-OAHLLOKOSA-N 300.789 4.021 0 40 DIAB Fc1ccccc1[C@@H](Cc1ccccc1)NCc1ccccn1 77454234 MSZQZRADFXCNAK-HXUWFJFHSA-N 306.384 4.294 0 40 DIAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(C)cc1 79072083 IFDGVBQBJAHYIK-GOSISDBHSA-N 323.440 4.258 0 40 DIAB Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2 95347572 AJFYMPPLANPKJE-UHFFFAOYSA-N 311.328 4.069 0 40 DIAB in-vitro CCc1nc2ccccc2n1-c1ccc(Br)cc1 168788314 KPQDSYXEIPINCS-UHFFFAOYSA-N 301.187 4.350 0 40 DIAB COC(=O)c1sc2ccc(Br)cc2c1Cl 169808546 LLBCYHOCSXDNBV-UHFFFAOYSA-N 305.580 4.104 0 40 DIAB Cc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)s1 195559001 ORIUWJYEQHSIMP-IBGZPJMESA-N 313.875 4.201 0 40 DIAB O=C1C=C(Nc2cccc3ccccc23)CN1c1ccccc1 217425899 MGCFPUXROGXKEC-UHFFFAOYSA-N 300.361 4.182 0 40 DIAB O=C(Cc1cccc(Cl)c1)NCc1cccc2ccccc12 222893836 AMKMSBMNEIAUIN-UHFFFAOYSA-N 309.796 4.352 0 40 DIAB CCOc1ccccc1N1C(=O)c2cc3ccccc3cc2C1=O 408734410 XXQWOSXBPNXUOV-UHFFFAOYSA-N 317.344 4.039 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 575361017 NRVIDZGXRKUDRE-UHFFFAOYSA-N 322.710 4.275 0 40 DIAB Cc1ccc(-c2ccc(CC3(C(=O)O)CCOCC3)cc2)c(C)c1 585164872 OVALFJTXDQGOPI-UHFFFAOYSA-N 324.420 4.394 0 40 DIAB O=C(c1cccc(Br)c1)N1CCCc2ccccc21 288633 XPHRMLJSTGXJCS-UHFFFAOYSA-N 316.198 4.042 0 40 DIAB OCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1690597 GCQCVCCOUMGAMI-UHFFFAOYSA-N 310.391 4.325 0 40 DIAB Cc1cccc(C)c1NC(=O)c1cnc(C(C)(C)C)c(Cl)n1 3851971 KSGBYLCGWIFNGG-UHFFFAOYSA-N 317.820 4.297 0 40 DIAB biogenic O=C(CCc1ccccc1)NCC1(c2ccccc2)CCCC1 5345868 YIKURAZYSURMEO-UHFFFAOYSA-N 307.437 4.247 0 40 DIAB Cc1cccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c1C 10310903 XAXYKJGTFLHZQL-LJQANCHMSA-N 308.425 4.079 0 40 DIAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2c2ccccc2)c(C)c1 10311237 MWSWUAXLZHIFBQ-LJQANCHMSA-N 322.452 4.387 0 40 DIAB Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1F 12138061 IECINGYMVPRLGT-UHFFFAOYSA-N 321.779 4.422 0 40 DIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1csc2ccccc12 12552247 HQJBVTGYXCMERY-UHFFFAOYSA-N 321.405 4.050 0 40 DIAB Cc1ccccc1NC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 12674845 YPENNPBZNWFSLJ-DNVCBOLYSA-N 308.425 4.063 0 40 DIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1Cl 13994486 MVCPCNUYHRRJFG-HNNXBMFYSA-N 303.789 4.445 0 40 DIAB CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3[nH]2)c1O 14607939 DVOMPBPXJUGXDN-UHFFFAOYSA-N 318.380 4.074 0 40 DIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(F)c(F)c1 16722187 GFFGGUXLSMZLKN-UHFFFAOYSA-N 323.368 4.116 0 40 DIAB CCc1ccc(NC(=S)NCCSc2ccccc2)cc1 18165614 AYLNEBXCWMPERT-UHFFFAOYSA-N 316.495 4.328 0 40 DIAB Cc1c(N)cccc1NC(=O)c1ccccc1OCCC(C)C 19736319 PTFUFVXAUJOTIU-UHFFFAOYSA-N 312.413 4.254 0 40 DIAB CCCCCCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20136688 CBSZHFBDHOJOGV-UHFFFAOYSA-N 301.386 4.348 0 40 DIAB Cc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 23625030 YPUXIABGWTXLKJ-SNVBAGLBSA-N 320.742 4.455 0 40 DIAB Cc1cccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c1 24260500 XEVVHEODCGWLFS-UHFFFAOYSA-N 307.349 4.107 0 40 DIAB CCOc1ccc(C(=O)O)cc1COc1ccc(Cl)c(C)c1 24549471 KWSLUCHLUQNIHX-UHFFFAOYSA-N 320.772 4.324 0 40 DIAB CC[C@@H](N)c1ccccc1OCc1ccccc1Br 37698602 LHOVOWOEPOGJJZ-OAHLLOKOSA-N 320.230 4.438 0 40 DIAB Cc1nc(-c2cccc(NC(=O)OCC(F)(F)F)c2)cs1 39947504 WSCYFHSUUHNBFI-UHFFFAOYSA-N 316.304 4.229 0 40 DIAB in-vitro COc1cccc(CN(C)[C@H](C)c2cccc(F)c2)c1OC 40157187 IJUUGKHOMAWQJH-CYBMUJFWSA-N 303.377 4.036 0 40 DIAB CCCc1nc(CNc2ccc(F)c(NC(=O)OC)c2)cs1 86205577 CAPIHJVHNOXKEU-UHFFFAOYSA-N 323.393 4.025 0 40 DIAB CC(=O)c1csc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1 95973283 ICDWDSFDQXDPQG-BZNIZROVSA-N 313.422 4.319 0 40 DIAB Oc1ccc(C2=CCN(Cc3cccc4[nH]ccc34)CC2)cc1 95982361 UCHVGLQETXAWLL-UHFFFAOYSA-N 304.393 4.163 0 40 DIAB COC[C@@H](C)NC1CCC(Sc2ccc(Cl)cc2)CC1 95983715 VOVFFWMNIQQVDD-XEBKBJJBSA-N 313.894 4.368 0 40 DIAB CCO[C@@H]1C[C@@H](N[C@@H](c2ccc(F)cn2)C(C)C)C12CCCC2 95996353 NIKGFOWOLQIATJ-KZNAEPCWSA-N 320.452 4.245 0 40 DIAB O=C(c1cc2ccccc2[nH]1)N1CCC(c2cccs2)CC1 96120589 UZQPACYRCKHSFY-UHFFFAOYSA-N 310.422 4.249 0 40 DIAB CC(=O)Oc1ccc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 100292437 SRZZJSRTPWVXAD-ZZDYMZHQSA-N 300.398 4.148 0 40 DIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 113960424 LBZQVESCVBJALN-OAHLLOKOSA-N 313.397 4.108 0 40 DIAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(C)c1 224436847 OSHPFWNBNRFQHA-SJLPKXTDSA-N 305.462 4.485 0 40 DIAB Cc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225021449 PMHWAUQBTMURDV-OAHLLOKOSA-N 306.814 4.436 0 40 DIAB Cc1ccc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)cc1 225079401 LKGWGVZKZPURKQ-MRXNPFEDSA-N 304.773 4.032 0 40 DIAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225639761 ATWKOKKDIBMLKU-HVEKOLDVSA-N 319.445 4.398 0 40 DIAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1 225719491 NOFAEEPTCVTWPT-UHFFFAOYSA-N 319.445 4.399 0 40 DIAB CCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859471 PXWIYEBMXUDLKV-UHFFFAOYSA-N 324.424 4.239 0 40 DIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccnc1)N2 247359612 DQNTZNICYJAPSG-LQOLNCQKSA-N 320.392 4.076 0 40 DIAB CC(=O)OC(C)(C)C(=O)c1sc2ccc(Cl)cc2c1C 575362097 BINABAXVRLTEFO-UHFFFAOYSA-N 310.802 4.388 0 40 DIAB O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc2cccnc2c1 1534094450 UVPRBHZLSDAPAO-UHFFFAOYSA-N 316.360 4.006 0 40 DIAB CCCCC[C@H](O)[C@@H]1CC=C[C@H](CCCCCCC(=O)O)O1 1772591363 ADGNIITUSSHJDU-ULQDDVLXSA-N 312.450 4.067 0 40 DIAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cc2ccc(Cl)cc2)cc1 482412 ZZZUADNCXIKDGE-ZDUSSCGKSA-N 316.784 4.006 0 40 DIAB COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1Cl 2616743 GNENJJRSPPWLJJ-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Br)cc1 2752409 UUSDTUYTQCRMHS-KUCQQTCKSA-N 322.246 4.253 0 40 DIAB O=C(CCCc1cccs1)Nc1nc2c(s1)CCCC2 4164948 XGJKXIQPTYXYCS-UHFFFAOYSA-N 306.456 4.045 0 40 DIAB Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)CCCC2 4680261 UJVGXUQDKNVTPF-UHFFFAOYSA-N 309.409 4.200 0 40 DIAB CO[C@H](C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 4723969 RVGRHVRRAIIEDT-AWEZNQCLSA-N 310.180 4.320 0 40 DIAB Cc1ccc(N[C@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 5394365 MTODMOMVFBGAMJ-OAQYLSRUSA-N 315.372 4.479 0 40 DIAB COc1ccc2oc(C(=O)NC3CCCCCC3)c(C)c2c1 5443342 WJVHYWCRQPTNMA-UHFFFAOYSA-N 301.386 4.202 0 40 DIAB COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 6328466 LTGGNOPZTCPUTE-CQSZACIVSA-N 314.454 4.003 0 40 DIAB CCSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 6650996 HSYMCONZQQLUME-UHFFFAOYSA-N 308.472 4.302 0 40 DIAB CC[C@@H](O)c1nc2ccccc2n1Cc1c(F)cccc1Cl 6745661 JKUUZQVGGIOKER-MRXNPFEDSA-N 318.779 4.321 0 40 DIAB CC1CCN([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 7389241 JUGCOJLPRQTJDF-NSHDSACASA-N 315.244 4.052 0 40 DIAB Cc1cc(C)cc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 7804811 DOVHGAVUZQIISO-UHFFFAOYSA-N 309.394 4.074 0 40 DIAB Cc1ccc([C@H](NC(=O)COc2cc(C)cc(C)c2)C2CC2)cc1 11234265 UUCKNQYDLVAWPZ-NRFANRHFSA-N 323.436 4.258 0 40 DIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2ncccc12 12606349 GVADZSQEACDMPY-UHFFFAOYSA-N 320.436 4.181 0 40 DIAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1 12672979 KYHBUFSRGTXJQT-KXBFYZLASA-N 308.425 4.063 0 40 DIAB CC[C@@H](NC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(C)cc1 12785744 SHKSEDBHYPMQJR-MRXNPFEDSA-N 312.413 4.024 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 12799739 JCNLEXDSNWCONS-ZDUSSCGKSA-N 315.800 4.087 0 40 DIAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 13109708 GAYKWLZNBWJWBA-LLVKDONJSA-N 306.768 4.227 0 40 DIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1 14124960 OVUQKCJWFSPMCN-LBPRGKRZSA-N 323.421 4.005 0 40 DIAB O[C@@](c1ccc(Br)cc1)(c1cccs1)C1CC1 16955257 FYNBPTDOFQAGEI-AWEZNQCLSA-N 309.228 4.157 0 40 DIAB CC(C)c1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 19601076 PXQYIGUQYBXAOT-UHFFFAOYSA-N 319.351 4.341 0 40 DIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 22523971 CHDVGUZYIBIYPX-HUUCEWRRSA-N 315.388 4.087 0 40 DIAB COc1ccccc1CC(=O)N[C@H](C)c1cccc2ccccc12 22974487 GRMGWBVBCRXDCC-OAHLLOKOSA-N 319.404 4.268 0 40 DIAB COc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c(F)c1 24871386 FQENNKGNKRFGCG-UHFFFAOYSA-N 321.351 4.338 0 40 DIAB COc1c(N)cc(-c2nc3cc(C)cc(C)c3o2)cc1Cl 26509123 TZVFNVRQIVNPFM-UHFFFAOYSA-N 302.761 4.356 0 40 DIAB Cc1cc(Nc2ncnc3sccc23)ccc1N1CCCC1 30672903 FZVHXAQJJRNQHR-UHFFFAOYSA-N 310.426 4.344 0 40 DIAB CCCC[C@H](CC)C(=O)Nc1cnn(Cc2ccccc2F)c1 32610530 ZVMMRDWGMHLGTB-AWEZNQCLSA-N 317.408 4.225 0 40 DIAB CC1CCC(NC(=O)c2cc(Cl)nc3ccccc23)CC1 32666232 BARIOSPDNQTJMQ-UHFFFAOYSA-N 302.805 4.197 0 40 DIAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)COc1ccccc1Cl)C2 32666565 HZUDWFYGQNPAEI-XLWVJDPXSA-N 321.848 4.050 0 40 DIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 32978364 JBUAXNSJHJIDJZ-AWEZNQCLSA-N 306.365 4.141 0 40 DIAB CON(C)C(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1 58419674 FNUQHSZKQXPFOW-UHFFFAOYSA-N 324.302 4.082 0 40 DIAB Cc1cc(CNC(=O)NCc2cccc3ccccc23)c(C)o1 70640547 VNBHKCPWGXSLSB-UHFFFAOYSA-N 308.381 4.049 0 40 DIAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1cccc(Cl)c1 80344798 CFMQWXVDUGZTDC-INIZCTEOSA-N 317.816 4.236 0 40 DIAB C[C@H](NC1CCN([C@H](C)c2ccncc2)CC1)c1ccsc1 90668035 XIZNDGOJCJZKHV-LSDHHAIUSA-N 315.486 4.019 0 40 DIAB CC(C)n1cc([C@H](C)N[C@H](c2ccccc2)c2ccccn2)cn1 95419302 LQSMNTHXMMGWTE-OXJNMPFZSA-N 320.440 4.299 0 40 DIAB C[C@H](Sc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103927307 DXTGDKILHFWZCF-DEEHTKSCSA-N 321.461 4.247 0 40 DIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCC12CC3CC(CC(C3)C1)C2 195534112 DLFGIOABLIJWKZ-VDXIQZNISA-N 301.474 4.145 0 40 DIAB Cc1ccc(C)c(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 222620377 MQCRLTRZGKEJDG-UHFFFAOYSA-N 321.355 4.152 0 40 DIAB CC[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(OC)cc1 225487624 FJZBLJAQTKTUQU-MRXNPFEDSA-N 318.417 4.272 0 40 DIAB CC(=O)c1ccc(NC(=O)c2ccc3sc(C)nc3c2)cc1 408979690 RQRAXHSMKDGWBP-UHFFFAOYSA-N 310.378 4.060 0 40 DIAB Cc1ccccc1-c1nc2sc3c(c2c(=O)o1)CC[C@H](C)C3 341197 CENWFDYMJUVINS-JTQLQIEISA-N 311.406 4.350 0 40 DIAB Cc1ccc(NC(=O)c2cccc3c2-c2ccccc2C3=O)cc1 1705629 XAJDJEPQNKQZDO-UHFFFAOYSA-N 313.356 4.459 0 40 DIAB CC(C)[C@@H](CCN1CCN(c2ccccc2)CC1)c1ccco1 6719141 FOFSQGNEOJLYPD-LJQANCHMSA-N 312.457 4.232 0 40 DIAB C[C@@H](NC(=O)c1ccc[nH]c1=S)C12CC3CC(CC(C3)C1)C2 8269798 VYMLYUNWAAZURX-HDPALTEOSA-N 316.470 4.079 0 40 DIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2ccccc2F)o1 8304394 NPOPVVCXPGWDCR-IUODEOHRSA-N 301.361 4.394 0 40 DIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(Cl)cc1 8499890 BBBAEISOUZVENE-QGZVFWFLSA-N 317.816 4.122 0 40 DIAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc2ncsc2c1 11209518 LXZUEIIRZCIEMR-QGZVFWFLSA-N 308.406 4.177 0 40 DIAB CC(C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 11541355 OCRHRJMBHSZELV-UHFFFAOYSA-N 320.414 4.291 0 40 DIAB CC(C)CN1CCC[C@@H](c2[nH]ncc2-c2c(F)cccc2F)C1 12244378 MOXQXAHYQGQFHV-CYBMUJFWSA-N 319.399 4.190 0 40 DIAB Cc1c(C(=O)N(C)[C@@H](C)Cc2ccccn2)oc2c(C)cccc12 12325414 JEMVIMHLCNFTGX-AWEZNQCLSA-N 322.408 4.148 0 40 DIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 12906017 DFYSTSKFWFAXJJ-LJQANCHMSA-N 320.392 4.154 0 40 DIAB CN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]c2ccccc12 12950337 CFMLHBJEVUFERC-UHFFFAOYSA-N 312.800 4.022 0 40 DIAB COc1cccc(-c2nc(NC(C)(C)C)c3ccccc3n2)c1O 13127572 UUWPJRYWDZWHQZ-UHFFFAOYSA-N 323.396 4.221 0 40 DIAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1 20025359 GLMPFOLUEMCEII-LBPRGKRZSA-N 318.214 4.249 0 40 DIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1CCCC1 20041613 HKDKYIYHLVRXPD-AWEZNQCLSA-N 303.446 4.152 0 40 DIAB COc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20041640 WCLOPRUWKXHEDF-OAHLLOKOSA-N 313.397 4.026 0 40 DIAB Cc1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1 22053661 QQNBTCQWWHBALS-UHFFFAOYSA-N 303.365 4.386 0 40 DIAB Cc1cc(C(=O)CSc2ccccc2Br)c(C)[nH]1 22417133 CDXYSZLITSABTN-UHFFFAOYSA-N 324.243 4.369 0 40 DIAB Cc1cccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 26020115 ZJLWWCQXZCIYSB-UHFFFAOYSA-N 317.816 4.122 0 40 DIAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)o1 27277922 YTVSILKTFCCTHG-IINYFYTJSA-N 318.804 4.189 0 40 DIAB CC(C)c1ccccc1NC(=O)CSc1ccccc1N 37022345 LHENYENYKXCMAY-UHFFFAOYSA-N 300.427 4.123 0 40 DIAB CCCCOc1ccc(-c2cc3c(SC)nccn3n2)cc1 45925404 LXMFAWKRBIVWHC-UHFFFAOYSA-N 313.426 4.297 0 40 DIAB Cc1ccc(CN(CC(=O)N2CCCCCCC2)C(C)C)s1 65162000 UFORBEZAAROLKX-UHFFFAOYSA-N 322.518 4.060 0 40 DIAB S=C1N[C@@H](c2ccccn2)C2(CCCCC2)N1c1ccccc1 68561901 GHJVNUKXHNUMAA-KRWDZBQOSA-N 323.465 4.220 0 40 DIAB COCC[C@H](C)NC(=O)Nc1cccc(Oc2ccccc2)c1 72063903 OIHVKZJGGVWHBX-AWEZNQCLSA-N 314.385 4.025 0 40 DIAB CC(C)Oc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 72094042 UFZOBUMEXAOLLL-UHFFFAOYSA-N 303.789 4.308 0 40 DIAB Cc1cc(N2CCc3ccccc32)ncc1[C@@H](N)c1ccccc1 72223954 QXZFLKSLQXVKOY-NRFANRHFSA-N 315.420 4.132 0 40 DIAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2nccs2)o1 75543874 DUCTYXILZIICAP-PWSUYJOCSA-N 305.403 4.050 0 40 DIAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1OCc1ccccc1 100098447 KDIQITOWQMAWPZ-LMMKCTJWSA-N 321.420 4.184 0 40 DIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2nc3ccccc3s2)C1 102704940 VKJXGVLPMNKYPG-KPZWWZAWSA-N 314.454 4.337 0 40 DIAB Cc1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)O2)cc1 104690862 SYIYRXRPADSXJJ-ICFOKQHNSA-N 321.405 4.204 0 40 DIAB CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)C1 106343182 LHJBCLDBYVWZGT-HOTGVXAUSA-N 317.791 4.007 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccccc1 216349748 QSYQQEHSPFYVME-SFHVURJKSA-N 311.425 4.119 0 40 DIAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1CCC(C)CC1 216866531 DJEZPPRUNNZMEX-UHFFFAOYSA-N 323.440 4.066 0 40 DIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(C)c3)N21 222640482 RAINCGWTVZYUAZ-KBAYOESNSA-N 323.465 4.369 0 40 DIAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc2ccccc2c1 222815621 QXWCWBVBHWLBDS-FQEVSTJZSA-N 319.404 4.314 0 40 DIAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1F 223503748 CTIJOSWDBNENKH-CQSZACIVSA-N 315.388 4.251 0 40 DIAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1C 224415613 UAJXINGNFJYNLK-UHFFFAOYSA-N 321.471 4.155 0 40 DIAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccccc1C 225318594 KMUMRMOEQZTLOZ-IBGZPJMESA-N 311.425 4.204 0 40 DIAB Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)c(C)c1 225546042 DDCSXXIJRZDULH-UHFFFAOYSA-N 316.445 4.362 0 40 DIAB Fc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1Cl 225856976 RLXYNCSWNXVVCF-UHFFFAOYSA-N 312.841 4.488 0 40 DIAB Cc1ccc(OCc2ccc(C(=O)NC3CCCCC3)o2)cc1 409204039 BZAYDGQHIVPVIY-UHFFFAOYSA-N 313.397 4.230 0 40 DIAB O=C(Cc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1 575360132 DWGZDNXEEGKZFF-UHFFFAOYSA-N 312.262 4.349 0 40 DIAB Cc1cc(-c2noc(CC(C)(C)C(F)(F)F)n2)cc2nc[nH]c12 585084262 UIBCOUBULGOJPP-UHFFFAOYSA-N 324.306 4.052 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](c2cccs2)C1 827907499 ZPVOOXGPCLMUPE-NSHDSACASA-N 323.820 4.099 0 40 DIAB CO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(F)cc1 1615140336 HYUNXUYJXYUPJT-OALUTQOASA-N 305.437 4.180 0 40 DIAB C[C@]12C[C@H](c3ccccc3O1)N1Cc3ccccc3CSC1=N2 387581 GOPKBGORRFGSNU-VQIMIIECSA-N 322.433 4.345 0 40 DIAB CCc1ccccc1NC(=O)CSc1nc2ccccc2o1 909545 OBYHXBUTRJZBSV-UHFFFAOYSA-N 312.394 4.121 0 40 DIAB COc1ccc(NC(=S)Nc2cccc(C)c2C)c(OC)c1 1410838 LBEOLIRYMFLEHB-UHFFFAOYSA-N 316.426 4.130 0 40 DIAB CN[C@@H](C)[C@@H](Nc1cc(OC)cc2cccnc12)c1ccccc1 1656111 LNRSSOUKXAJCEX-IFXJQAMLSA-N 321.424 4.005 0 40 DIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cn1 2789114 PREMTRWRIIKDGJ-UHFFFAOYSA-N 315.587 4.223 0 40 DIAB CCOc1ccc(OCCC(=O)Nc2cc(C)cc(C)c2)cc1 3294104 CSZZBROWTPRQFF-UHFFFAOYSA-N 313.397 4.110 0 40 DIAB Cc1cccc(NC(=O)CNc2ccc(F)c(Cl)c2)c1C 3398423 JISFFGPRDZHDJX-UHFFFAOYSA-N 306.768 4.147 0 40 DIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 3483356 NFYFRSKUNMUKJS-JTQLQIEISA-N 310.180 4.399 0 40 DIAB c1ccc2sc(CSc3ccc4c(c3)OCCO4)nc2c1 3489363 CSRHUUVWTQCXKY-UHFFFAOYSA-N 315.419 4.360 0 40 DIAB Sc1ncnc2cc(-c3ccc(Br)cc3)sc12 4207045 ZKENECVKDONKSE-UHFFFAOYSA-N 323.240 4.410 0 40 DIAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 4278873 VOMRAUSPQRXMBW-UHFFFAOYSA-N 300.427 4.283 0 40 DIAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCCc2ccccc21 5442926 WZRATAXQVZQAFH-KRWDZBQOSA-N 317.791 4.215 0 40 DIAB CCCn1c(NC(=O)CCc2ccccc2)nc2ccccc21 6153905 DDFPTGXZWXPIIL-UHFFFAOYSA-N 307.397 4.018 0 40 DIAB Cc1cccc(NC(=S)NCCSc2ccccc2)c1 7500713 QMOSCPPPBQPXOS-UHFFFAOYSA-N 302.468 4.074 0 40 DIAB O=C(CSc1nc(C2CCCC2)n[nH]1)c1ccc(Cl)cc1 12980444 DFISLMYKDBKELJ-UHFFFAOYSA-N 321.833 4.091 0 40 DIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)CCCC2 12987389 HBTMFDQZQKVNTC-CQSZACIVSA-N 309.409 4.065 0 40 DIAB c1cncc(-c2nc(N3CCCCC3)ncc2-c2cccs2)c1 13266242 ATZUBJXQMUJUST-UHFFFAOYSA-N 322.437 4.257 0 40 DIAB CN(Cc1ccccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 19586535 PKIVCDWEAXCPRL-FUHWJXTLSA-N 319.807 4.094 0 40 DIAB CC(C)=CCC[C@H](C)CN1CCN(Cc2ccccc2)CC1 19633132 NKKQBJDCFWZFFP-IBGZPJMESA-N 300.490 4.187 0 40 DIAB COc1ccc(C[C@H](NCc2ccco2)c2ccccc2)cc1 19735220 CVAZQOJFGUFCAC-FQEVSTJZSA-N 307.393 4.362 0 40 DIAB CCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1C 20025598 AKELPNCOFWUBSZ-SFHVURJKSA-N 309.409 4.201 0 40 DIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C 20049478 AWKNGGAYNLMMKO-KRWDZBQOSA-N 313.397 4.108 0 40 DIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccccc1 20492774 GSSOVTBMACMJDF-SJLPKXTDSA-N 311.425 4.338 0 40 DIAB O=C(Nc1cccc(F)c1)c1cccnc1NC1CCCCC1 22072221 PIERVMHRIHZPLL-UHFFFAOYSA-N 313.376 4.218 0 40 DIAB O=C(OCc1ccccn1)c1ccccc1Oc1ccccc1 23027191 LRPDAGZCWVUEDY-UHFFFAOYSA-N 305.333 4.231 0 40 DIAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCC[C@H](C)C1 24487181 VBCFJPFQWGESCZ-NSHDSACASA-N 302.805 4.069 0 40 DIAB Cc1c(C)n(C)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc12 27976575 QQEQSMMGBKMYQO-CYBMUJFWSA-N 318.420 4.387 0 40 DIAB CCN(c1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1)C(C)C 30675443 UYKUMYLUDWZBDR-UHFFFAOYSA-N 305.809 4.155 0 40 DIAB C[C@H]1CCc2sc(C(=O)N(C)Cc3ccc(F)cc3)cc2C1 32967344 VTZZFPZMPYTARV-LBPRGKRZSA-N 317.429 4.284 0 40 DIAB O=C(O)C(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 37528563 BSDFOKXINUZVCG-UHFFFAOYSA-N 309.192 4.479 0 40 DIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1Cl 38753903 VFLZHNGGFFYEFL-KRWDZBQOSA-N 317.816 4.122 0 40 DIAB O=C(Nc1cccc(Cl)c1F)N1CCC[C@@H](C(F)(F)F)C1 40526670 BIIQYYSAMRCVRB-MRVPVSSYSA-N 324.705 4.285 0 40 DIAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C=C(C1CC1)C1CC1 55736835 KPFUDKKCURAPJS-CYBMUJFWSA-N 320.436 4.360 0 40 DIAB Cc1sc2nc(-c3ccccc3)nc(Nc3cn[nH]c3)c2c1C 58158729 WNVZXDIPIAGWGH-UHFFFAOYSA-N 321.409 4.442 0 40 DIAB O=C(NCc1ccccc1C(F)(F)F)c1cccc(Cl)c1 72331434 CTXZNUVDWZYHMA-UHFFFAOYSA-N 313.706 4.289 0 40 DIAB O=C1OC2(c3ccccc3)[C@@H]3CCC[C@@H]2C13Sc1ccccc1 100586102 OTDAVARGMRVVJF-BEEJXANESA-N 322.429 4.400 0 40 DIAB C[C@@H]1[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CCC[C@H]1C 102371484 SFXIUBLQLZXSLE-WWGRRREGSA-N 321.848 4.244 0 40 DIAB O=C(NC(c1cccs1)c1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 108350701 QPHNPAQOHAOOFV-RWMBFGLXSA-N 317.479 4.451 0 40 DIAB CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225724958 XJBGDFXLOWWVCS-IBGZPJMESA-N 319.445 4.174 0 40 DIAB CCCCOc1ncc(NC(=O)[C@](C)(CCCC)OC)cc1C 225886123 FCROIXPPUJVZSG-SFHVURJKSA-N 322.449 4.103 0 40 DIAB CNc1ccc2oc(-c3cccc(Br)c3)nc2c1 226270250 RQLVFXGUWNDTSG-UHFFFAOYSA-N 303.159 4.299 0 40 DIAB O=C(c1cc(F)cc(C(F)(F)F)c1)C(F)(F)Br 575360431 CVXACOBIFVKIAJ-UHFFFAOYSA-N 321.014 4.015 0 40 DIAB CCOC(=O)C[C@H](O)c1ccc(C)cc1/C=C/c1ccccc1 575372171 BPIDWNLMYJNJCR-VYENPZKTSA-N 310.393 4.152 0 40 DIAB CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CCF)C2)cc1 585101665 LAFXNXXVQZXVNP-CQSZACIVSA-N 320.408 4.129 0 40 DIAB O=C(NCc1cc(-c2ccco2)cs1)c1c(F)cccc1F 1775968190 MUFPPOWXHKWKDG-UHFFFAOYSA-N 319.332 4.216 0 40 DIAB Cc1cccc(OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1C 201784 DYMXMQXDGFPJLF-OXQOHEQNSA-N 315.457 4.109 0 40 DIAB Cc1cc(C)n(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)n1 387751 FCUKVANKOIMRBN-IBGZPJMESA-N 304.393 4.167 0 40 DIAB CCc1c(Cl)nc(N)nc1Nc1ccc(Cl)c(Cl)c1 1679319 AEHCWRQWMQLXGB-UHFFFAOYSA-N 317.607 4.325 0 40 DIAB CCOC(=O)CCCCCC(=O)c1ccccc1C(F)(F)F 2580321 FGBLCTMENWKYLA-UHFFFAOYSA-N 316.319 4.402 0 40 DIAB COc1ccc(-c2nnc(SCC(C)C)n2C(C)C)cc1 3328763 RDIALASRXMVMBM-UHFFFAOYSA-N 305.447 4.283 0 40 DIAB CSc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 3608585 BLRSKBORLPSZFC-UHFFFAOYSA-N 307.802 4.079 0 40 DIAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12 4340248 AFRQEMGZGDVKOI-UHFFFAOYSA-N 320.344 4.084 0 40 DIAB biogenic Cc1ccc(SCC(=O)c2ccc3c(c2)OCCO3)c(C)c1 5019903 DVMXONFRKKAFKS-UHFFFAOYSA-N 314.406 4.050 0 40 DIAB CCOc1ccccc1NC(=S)Nc1ccccc1OCC 5375205 JNYGERXLRVWVMQ-UHFFFAOYSA-N 316.426 4.293 0 40 DIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 6215128 ITPAMKDVAXFOCG-CYBMUJFWSA-N 303.789 4.363 0 40 DIAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1C 7116459 HSCIEUZJGDKYHK-ZDUSSCGKSA-N 309.365 4.241 0 40 DIAB Cc1c(Cl)cccc1NC(=S)NCc1ccccc1F 7642703 OGYYHAIGWVSIHV-UHFFFAOYSA-N 308.809 4.274 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1 8049687 DREDMXDYTZQSGV-CQSZACIVSA-N 307.752 4.275 0 40 DIAB O=C(Nc1cccc2cccnc12)c1ccc(Cl)cc1F 8940643 LGTRIOZSRZEARH-UHFFFAOYSA-N 300.720 4.280 0 40 DIAB O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1 11593278 KIDGHMVIPKCHTR-UHFFFAOYSA-N 321.355 4.141 0 40 DIAB CN(C)C1(CNC(=O)Nc2ccccc2Cl)CCCCCC1 12927591 BSNNPFDPBJKIMI-UHFFFAOYSA-N 323.868 4.116 0 40 DIAB CCCCOc1ccc(NC(=O)CC(C)C)c2cccnc12 15841132 XDBZRNGIAQOFHW-UHFFFAOYSA-N 300.402 4.398 0 40 DIAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c(C)c1 16316026 FFAPLHUCZPWLAS-CYBMUJFWSA-N 302.418 4.490 0 40 DIAB Fc1ccccc1CN1CCC(c2cc3cccnc3[nH]2)CC1 19348905 HHWIQKIBQIHFPT-UHFFFAOYSA-N 309.388 4.082 0 40 DIAB CCN(CC)c1ccc(NC(=O)c2cccc3cccnc23)cc1 22391170 FIGVUILAWCTFEY-UHFFFAOYSA-N 319.408 4.333 0 40 DIAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(C)c3)CCC2)cc1 24225994 KVAOXRMPMFWVLZ-UHFFFAOYSA-N 322.408 4.014 0 40 DIAB CC(C)c1ccc(N[C@@H](c2cccc(F)c2)P(=O)(O)O)cc1 24769738 DXCNJARZTPCTIW-MRXNPFEDSA-N 323.304 4.238 0 40 DIAB CC(=O)c1ccc(OCc2csc(-c3ccc(C)o3)n2)cc1 32322035 AVWBDYDYLAXJTE-UHFFFAOYSA-N 313.378 4.493 0 40 DIAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OC(F)(F)F)cc1 40074323 DTTITSWZQKFETK-NWDGAFQWSA-N 313.319 4.119 0 40 DIAB CC(C)OCc1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 48314083 ASXIXCMTCZKFRD-IPMKNSEASA-N 315.457 4.054 0 40 DIAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351400 GRXMKOAXIFWTKC-LPQFERQCSA-N 309.409 4.203 0 40 DIAB Cn1c([C@@H](NCc2ccco2)c2ccccc2)nc2ccccc21 71792619 HEGUEMNSTXOVNC-IBGZPJMESA-N 317.392 4.046 0 40 DIAB CC(C)(C)[C@H](Cc1ccccc1)NC(=O)c1ccncc1Cl 73096300 GKLFTYZNFHOOAR-INIZCTEOSA-N 316.832 4.122 0 40 DIAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2OC)cc1 78458707 VVFODCPOLZVMQG-SZGUKTLCSA-N 309.409 4.148 0 40 DIAB Cc1ncsc1C(=O)N(CC(F)F)c1cccc(Cl)c1 84805308 IZQFPOLRBGYQIP-UHFFFAOYSA-N 316.760 4.017 0 40 DIAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccc(Cl)cc1Cl 95095907 COTREOPTYUFECN-XCBNKYQSSA-N 301.091 4.012 0 40 DIAB Fc1cc(F)cc(COc2ccc(Br)cc2F)c1 95915349 AWKLHGDFHGLCHE-UHFFFAOYSA-N 317.104 4.445 0 40 DIAB COc1ccc(C(=O)c2cc(Cl)cc(Cl)c2)c(OC)c1 95916662 NNINRCFPNYYJDT-UHFFFAOYSA-N 311.164 4.242 0 40 DIAB Cc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 101329206 BCMCFVSLWAPEAD-KRWDZBQOSA-N 322.799 4.296 0 40 DIAB Cc1ccc(C2=C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1 102230272 UXZQLGOSGFIEAS-KRWDZBQOSA-N 322.799 4.296 0 40 DIAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccs1 69039 SKTFIUBIZPYPDO-UHFFFAOYSA-N 319.389 4.315 0 40 DIAB CC[C@H]1CCCCN1Cn1nc(-c2ccc(C)cc2)oc1=S 77980 VXVOEUPGWSDEKZ-HNNXBMFYSA-N 317.458 4.403 0 40 DIAB O=C(Nc1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 233841 PPQJGPFRDBVXMG-IBGZPJMESA-N 314.388 4.026 0 40 DIAB CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)cc1 430015 CVMZVAJZGJCDDK-SFQUDFHCSA-N 323.367 4.468 0 40 DIAB CCCN(C(=O)C1CCC1)c1nnc(-c2ccccc2C)s1 1345313 MKVWGWNBKDFQCY-UHFFFAOYSA-N 315.442 4.057 0 40 DIAB Cc1cc(C)cc(-c2nnc3sc(-c4ccccc4)nn23)c1 2182931 WMGWRYKVRVZWSJ-UHFFFAOYSA-N 306.394 4.137 0 40 DIAB CCCCOCc1ccc(CP(=O)(OCC)OCC)o1 2299449 WXSHRMQLNNUCOH-UHFFFAOYSA-N 304.323 4.362 0 40 DIAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(C)c2C)c(C)c1 3340921 VWHBBOQUEHVDCM-UHFFFAOYSA-N 310.393 4.268 0 40 DIAB Cc1ccc(-c2nnc(S)n2-c2ccc(Cl)cc2)cc1 6507555 CIAACZQPBZTGLR-UHFFFAOYSA-N 301.802 4.185 0 40 DIAB COc1ccc2oc(C(=O)N[C@@H](C)c3cccs3)c(C)c2c1 6849343 WLAIRIAHCOOOGL-NSHDSACASA-N 315.394 4.302 0 40 DIAB CCCCCNCc1cc(Br)ccc1OCC 7261260 ZAJYMWWOHWULIT-UHFFFAOYSA-N 300.240 4.128 0 40 DIAB CCCCN1CN(Cc2ccccc2)c2nc3ccccc3n2C1 7499254 SBWMRQBBIFESCZ-UHFFFAOYSA-N 320.440 4.074 0 40 DIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CC=CCC1 7688654 SDNGGUMZEVBAGO-JTQLQIEISA-N 320.364 4.383 0 40 DIAB COc1ccccc1N[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 8211081 IVNFHDSEJMGPRN-CYBMUJFWSA-N 308.381 4.168 0 40 DIAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 8239215 QGMUBSKAAKTKCZ-HNNXBMFYSA-N 323.392 4.306 0 40 DIAB CCC(C)(C)C(=O)Nc1ccccc1SCCCC(=O)O 8732917 DUGKHBGMJMHDBE-UHFFFAOYSA-N 309.431 4.018 0 40 DIAB CCc1nc2ccccc2c(C)c1C(=O)Nc1ccccc1OC 9643759 ROBVNSQGZGZLDO-UHFFFAOYSA-N 320.392 4.367 0 40 DIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(Cl)cc1 10087191 YOVGYYYDFVVERN-GFCCVEGCSA-N 310.784 4.379 0 40 DIAB Cc1cc(-c2cnc(NC3CCCC3)nc2-c2ccoc2C)on1 13226698 VTHMORSDMAVSCA-UHFFFAOYSA-N 324.384 4.363 0 40 DIAB COc1ccc(OCCCC(=O)NC2CCCCCCC2)cc1 14399592 HWVMGGHSVBDYGE-UHFFFAOYSA-N 319.445 4.083 0 40 DIAB COc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 15840685 KMHPBQATFCVBOH-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB CCCOc1ccc(NC(=O)c2ccccc2F)c2cccnc12 15841007 DBQIDSPAXDQNHI-UHFFFAOYSA-N 324.355 4.415 0 40 DIAB COc1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 16029660 WDQSIXGZTNDMNK-LLVKDONJSA-N 301.411 4.134 0 40 DIAB O=C(/C=C\c1ccccc1)Nc1nc(-c2ccccc2)cs1 16771394 WOJRHCOBUKJCAJ-QXMHVHEDSA-N 306.390 4.462 0 40 DIAB Cc1ccccc1NCC(=O)Nc1cccc(C(F)(F)F)c1 19773500 YQSRYMIZPNOODM-UHFFFAOYSA-N 308.303 4.064 0 40 DIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 20455615 ZFKRRDMZTDFXEI-IRXDYDNUSA-N 311.425 4.257 0 40 DIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C)c1 20490046 ZUPZKXYRNFBARC-SFHVURJKSA-N 311.425 4.086 0 40 DIAB COc1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1 22006254 GAPQHUJZSJJYFO-UHFFFAOYSA-N 303.789 4.228 0 40 DIAB CC(C)(C)C[C@](O)(COc1ccc(Cl)cc1)c1cccnc1 22115035 YSQWYKYIKMWZAL-SFHVURJKSA-N 319.832 4.438 0 40 DIAB CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(OC)cc1 25513233 ZZDFVLAWICTKCK-JNMQVBFRSA-N 309.409 4.284 0 40 DIAB CCOC(=O)[C@@H]1Sc2ccccc2N[C@H]1c1ccc(F)cc1 27526292 ZYEVIBONAYZRHO-JKSUJKDBSA-N 317.385 4.016 0 40 DIAB O=C(/C=C/c1cccnc1)Nc1cccc(OC2CCCC2)c1 29022039 UXNWYOKKDMXISX-ZHACJKMWSA-N 308.381 4.055 0 40 DIAB COc1ccc(NC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 44844982 HYUGQAOACSMMGN-UHFFFAOYSA-N 320.776 4.310 0 40 DIAB Cc1ccc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cc1 45951922 BXKWPNNOEDRYFA-LBPRGKRZSA-N 320.339 4.479 0 40 DIAB Cc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccccc3)o2)cc1 47964606 YBEYZDFEKGZYJU-OAHLLOKOSA-N 307.397 4.238 0 40 DIAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412455 JTAGCCBWUAMDKA-UHFFFAOYSA-N 311.772 4.291 0 40 DIAB COCc1ccccc1NC(=O)N1CCC(c2ccccc2)CC1 58552541 GHJDMUHYUMZNRH-UHFFFAOYSA-N 324.424 4.245 0 40 DIAB COc1cc(OC)cc([C@@H]2SCC(O)=Nc3ccsc32)c1 71279098 FNGSBVYAHOCCPS-AWEZNQCLSA-N 321.423 4.190 0 40 DIAB COCc1ccc(CNc2ccccc2-n2nc(C)cc2C)cc1 90194048 DMAQFCQNKXJRPL-UHFFFAOYSA-N 321.424 4.248 0 40 DIAB Cc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)c(C)o1 96382394 CTJZAUJRSCTGOU-UHFFFAOYSA-N 322.364 4.014 0 40 DIAB CCCCc1ccc(Nc2c(N)oc(=O)c3ccccc23)cc1 101425616 GTKURPGHCXGDGB-UHFFFAOYSA-N 308.381 4.461 0 40 DIAB COc1ccc(C(=O)CCc2cnc3ccccc3c2)cc1F 199732423 OZQJKODNQZOILB-UHFFFAOYSA-N 309.340 4.198 0 40 DIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1 225729208 VFYSZABFXFGBPM-KBXCAEBGSA-N 307.434 4.398 0 40 DIAB COC(=O)CCCCC(=O)c1ccc(-c2ccccc2)c(F)c1 575357675 RZHLUNFJFXTOIX-UHFFFAOYSA-N 314.356 4.409 0 40 DIAB Cc1cccc(OCC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)c1 1776001147 AWPIGACMSSHGGG-ROUUACIJSA-N 311.425 4.008 0 40 DIAB O=c1oc(-c2ccco2)nc2scc(-c3cccs3)c12 25835 NXXDUZCCSJNONN-UHFFFAOYSA-N 301.348 4.238 0 40 DIAB CCCc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1 349560 FSKWUPJWFGHJMC-UHFFFAOYSA-N 314.388 4.491 0 40 DIAB Cc1ccn2c(NC3CCCCC3)c(-c3ccncc3)nc2c1 779114 VXNBKEGEGUUZQR-UHFFFAOYSA-N 306.413 4.449 0 40 DIAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(F)cc1 2595373 HEBKWEWRGBSTBN-UHFFFAOYSA-N 308.308 4.019 0 40 DIAB c1ccc(-c2ccc(NCn3nnc4ccccc43)cc2)cc1 3149573 PAICQBNMZLSXDA-UHFFFAOYSA-N 300.365 4.168 0 40 DIAB Cc1ccc(F)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 3326363 QEPCLVPALLFQQI-UHFFFAOYSA-N 313.250 4.285 0 40 DIAB COc1ccc(C(=O)Nc2cccc3ncccc23)cc1Cl 4776778 RUDOIFUGRJZKRG-UHFFFAOYSA-N 312.756 4.149 0 40 DIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccccc1 5557975 QRQOZCLXCMVJQE-UHFFFAOYSA-N 315.416 4.255 0 40 DIAB Clc1ccc2c(c1)[C@H](c1ccccc1)NC(N1CCCC1)=N2 5775315 MPKXJIMWFXXKCH-KRWDZBQOSA-N 311.816 4.116 0 40 DIAB Cc1ccc([C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 6487778 SJKXFJMFSUITOL-OAQYLSRUSA-N 300.357 4.457 0 40 DIAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 6609601 YBSOCFBPHYHRIA-UHFFFAOYSA-N 304.349 4.010 0 40 DIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7223310 VUEOUDVIVPHWHM-LBPRGKRZSA-N 322.330 4.453 0 40 DIAB Cc1ccc(C)c([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 7785787 BLFUDQBPMQQOBE-QZTJIDSGSA-N 304.397 4.041 0 40 DIAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC)cc1 7886481 AHTRCPGHHFZIJB-GOSISDBHSA-N 310.397 4.062 0 40 DIAB Cc1noc(C)c1CN(C(=O)c1cccc(F)c1)c1ccccc1 8923823 ABDVCVYSYGJJDD-UHFFFAOYSA-N 324.355 4.278 0 40 DIAB CC[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 11738583 AHNJBKFZKMWBKC-HNNXBMFYSA-N 309.743 4.499 0 40 DIAB CCC[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)c1cccs1 12147322 HKSURNBGEOLNRP-CQSZACIVSA-N 313.426 4.204 0 40 DIAB Cc1ccc(CNC(=O)N(C)Cc2ccc3ccccc3c2)cc1 12985340 QEXCDVLUGGSDPM-UHFFFAOYSA-N 318.420 4.490 0 40 DIAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 15440982 ZMMDHGFOYNDDDR-HNNXBMFYSA-N 314.404 4.074 0 40 DIAB CCSc1c(OC(C)=O)c2ccccc2c2oc(=O)sc12 16693639 KHJSWPVAGPYFBX-UHFFFAOYSA-N 320.391 4.045 0 40 DIAB Clc1ccc([C@@H]2[C@@H](NC[C@@H]3CCOC3)[C@H]3CCCC[C@H]32)cc1 19336261 PEGLNXLVCZXCRE-QFHLCROWSA-N 319.876 4.238 0 40 DIAB CC[C@@H](NC(=S)Nc1ccccc1)c1ccc(OC)cc1 20624989 YNXOUVFXQXJZMY-MRXNPFEDSA-N 300.427 4.133 0 40 DIAB C[C@H](NC(=O)CCc1cccs1)c1ccc2c(c1)CCCC2 21934047 WBMAIFRHAOSGCR-AWEZNQCLSA-N 313.466 4.437 0 40 DIAB O=C(Nc1cccc2cccnc12)C1(c2ccccc2)CCC1 25321028 WVAYSQPOWZUKAT-UHFFFAOYSA-N 302.377 4.295 0 40 DIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)cc1F 30863641 FBBJYKMJQVUODT-QGZVFWFLSA-N 319.351 4.378 0 40 DIAB CCNc1nnc(SCc2csc(C(C)(C)C)n2)s1 32329591 AFFCPWFNCCJUMW-UHFFFAOYSA-N 314.505 4.016 0 40 DIAB O=C(Nc1ccncc1)N1CCC[C@H]1c1nc2ccccc2s1 56498186 OMTMSUMNIQTTMJ-AWEZNQCLSA-N 324.409 4.060 0 40 DIAB C[C@@H](SCc1ccccc1)C(=O)NC[C@H](C)c1ccccc1 60871898 WYFLVVAKKYTYAG-JKSUJKDBSA-N 313.466 4.228 0 40 DIAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc[nH]2)c1C 64301469 FAQUWRCPUXXNPG-UHFFFAOYSA-N 307.353 4.071 0 40 DIAB Cc1ccccc1NC(=O)NC[C@@H](O)c1cccc2ccccc12 70636285 QVBOTWCVSITQDB-LJQANCHMSA-N 320.392 4.003 0 40 DIAB Cc1nnc(Sc2ccc(NC(=O)C(C)(C)C)c(C)c2)s1 71185832 GFNWXOPBSQPGFU-UHFFFAOYSA-N 321.471 4.291 0 40 DIAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72213404 HUTITWSVNHJLQT-YJBOKZPZSA-N 323.440 4.269 0 40 DIAB CC(C)CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCC1 79068934 GQAFHHJHHXZLDI-MRXNPFEDSA-N 301.430 4.233 0 40 DIAB C[C@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1 86372383 ZHDPBWBNPIQKOM-CYBMUJFWSA-N 323.396 4.196 0 40 DIAB Cc1csc([C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 95403017 GOOLHHPGPUFJHJ-JMPLFQLZSA-N 302.443 4.409 0 40 DIAB Cc1ccc(-c2cccc(CN3CCC[C@H]([C@@H](C)O)C3)c2)cc1 96003586 RYPDREVQBFRYQL-UTKZUKDTSA-N 309.453 4.255 0 40 DIAB CC[C@](CNC(=O)Nc1ccccc1C)(OC)c1ccccc1 96123817 YZBCWKKQIFAOOR-LJQANCHMSA-N 312.413 4.068 0 40 DIAB c1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1 102889398 ZCPRBYOCCCMWKF-UHFFFAOYSA-N 305.381 4.412 0 40 DIAB C/C(=C/c1ccc(OCc2cscn2)cc1)c1cnccn1 195568095 YSHQUCJJWWXNDI-JYRVWZFOSA-N 309.394 4.073 0 40 DIAB COC(=O)[C@@H](C(C)C)N1c2c(C)cccc2[C@@H](C)CC1(C)C 223212309 MMLUTDKQRPYHLD-GOEBONIOSA-N 303.446 4.285 0 40 DIAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2F)cc1C 223490163 RWXLGWGTAQQIJH-OAHLLOKOSA-N 315.388 4.007 0 40 DIAB CCCC[C@@H](C)OC(=O)c1snnc1-c1ccc(F)cc1 223841160 BHYOXWHVHUPUGB-SNVBAGLBSA-N 308.378 4.080 0 40 DIAB CCC1(CC)C[C@H](NC(=O)Cc2ccccc2)c2ccccc2O1 224367248 MKQITTJVHVTPMT-SFHVURJKSA-N 323.436 4.428 0 40 DIAB CC[C@@H](Oc1ccccc1F)C(=O)NC(C)(C)CC(C)(C)C 224615538 MXXOFCAIJKHPQT-CQSZACIVSA-N 309.425 4.314 0 40 DIAB CC(C)(C)CC(C)(C)NC(=O)COc1ccc2c(c1)CCCC2 225106760 PNSJYNXDCDWZAB-UHFFFAOYSA-N 317.473 4.275 0 40 DIAB CCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC)c(C)c1 225690364 JLFLVBHFRFHCQM-GOSISDBHSA-N 307.434 4.092 0 40 DIAB O=C(NCc1ccc(-c2ccco2)nc1)c1cc2ccccc2o1 225751126 AUEBVKOEMCPYJB-UHFFFAOYSA-N 318.332 4.018 0 40 DIAB O=C(NCc1ccc(C2CC2)nc1)c1cc2ccccc2s1 606440529 VJMAQPNSPRXSRF-UHFFFAOYSA-N 308.406 4.104 0 40 DIAB