smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 3292381 YYODLFYHFRMKGF-UHFFFAOYSA-N 293.344 2.510 10 40 CFCB CN(C)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 8172024 AHJGTTFGTAPDKK-CYBMUJFWSA-N 258.365 2.725 10 40 CFCB CCn1cc(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)n1 20606635 HQWITEMWZJRLKE-WDZFZDKYSA-N 295.433 2.821 10 40 CFCB CCN1C(=O)/C(=C\c2sccc2C)C(C(=O)OC)=C1C 408978840 NMRIUARQTWRKME-FLIBITNWSA-N 291.372 2.749 10 40 CFCB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C 5263773 KCMAHSSEPIKDSF-UHFFFAOYSA-N 289.404 2.704 10 40 CFCB COc1ccc(N2CCNCC23CCCCC3)cc1 16945619 UQEQWIQKNZHDOR-UHFFFAOYSA-N 260.381 2.808 10 40 CFCB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(O)CN=[N+]=[N-] 72207874 XKIWOFSXLRYPKZ-SKDRFNHKSA-N 272.349 2.597 10 40 CFCB Cn1cc(OCc2ccccc2)c(=O)cc1CN=[N+]=[N-] 94993317 MCWCNGNYZWCSJM-UHFFFAOYSA-N 270.292 2.775 10 40 CFCB CCN(CC)c1ccc(/N=N/c2nc[nH]n2)c(O)c1 17045319 SJMIGTIGCFRHSP-BMRADRMJSA-N 260.301 2.772 10 40 CFCB O=c1[nH]c(=S)[nH]c(O)c1/N=N/c1ccc(F)cc1 4903464 HZVGZWSRKWZNCG-CCEZHUSRSA-N 266.257 2.693 10 40 CFCB C[C@@H](O)[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529618 LXFPQDBIOAGAGA-MEBBXXQBSA-N 296.326 2.634 10 40 CFCB Cc1cc(C=O)c(C)n1-c1ccc(F)cc1[N+](=O)[O-] 8733457 OAUZVRWMOVPQDD-UHFFFAOYSA-N 262.240 2.954 10 40 CFCB CC1=NN=C(c2ccccc2)[C@H](c2ccc(O)cc2O)N1O 5482674 MOLAUNODIAKMBF-INIZCTEOSA-N 297.314 2.666 10 40 CFCB Cc1cc(N2CCCC2)c(C)cc1CN1CC[C@@H](CO)C1 19567137 QSNMPFLRYLQLEJ-MRXNPFEDSA-N 288.435 2.718 10 40 CFCB Cc1ccc(/N=N\[C@H]2C(=O)NN(c3ccccc3)C2=O)cc1 100353208 GUYUPWKVBCLPRK-DNZUHHBVSA-N 294.314 2.525 10 40 CFCB COC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3 521248 LRZYVKPNHIPHER-UHFFFAOYSA-N 276.361 2.852 10 40 CFCB CN(C)c1ccc(CNC(=O)NC2CCCCC2)cc1 31726686 QDQCFAMPWVSIMZ-UHFFFAOYSA-N 275.396 2.885 10 40 CFCB Oc1ccccc1[C@@H]1Nn2c(nnc2-c2ccccc2)S1 20725623 YGHZVQXNXOYPSQ-CQSZACIVSA-N 296.355 2.999 10 40 CFCB COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 34573739 ZKFRRJHIJQRWNW-UHFFFAOYSA-N 292.379 2.752 10 40 CFCB NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 32598177 YLYXKPTXJCYMDQ-AWEZNQCLSA-N 297.383 2.787 10 40 CFCB CCc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 168619219 XKXOOJRRCVPMKQ-UHFFFAOYSA-N 299.399 2.958 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(N)cc1 59366666 BGGOOSLEPDMRKV-WJDWOHSUSA-N 292.342 2.987 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 1889014778 SWEZYNKAAAPURE-JTQLQIEISA-N 264.716 2.999 10 40 CFCB Nc1ccc(CCC(=O)NCc2ccccc2)cc1 20186550 JZHIGNMWSSMZGR-UHFFFAOYSA-N 254.333 2.518 10 40 CFCB CC1=NNC(=O)/C1=C/c1ccc(Cl)cc1Cl 17287882 WPSBOEIHJMVOHH-RUDMXATFSA-N 255.104 2.883 10 40 CFCB Cc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1 167886862 DMBOFEOUPUGZDX-UHFFFAOYSA-N 285.372 2.704 10 40 CFCB CCOC(=O)c1sc2nc(C)c(CC)cc2c1N 4451101 YHOYAVOGUQZJGD-UHFFFAOYSA-N 264.350 2.926 10 40 CFCB Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 58866151 USPJDXZYSXCEMC-UHFFFAOYSA-N 272.300 2.749 10 40 CFCB Nc1ccc(Cc2nnc3ccc(C(F)(F)F)cn23)cc1 36928281 LGROFPDKJOFPIF-UHFFFAOYSA-N 292.264 2.921 10 40 CFCB in-vitro Oc1c(Cl)cccc1CN1CCC[C@H]1Cn1ccnc1 188411829 HHGZZPZYWNRITC-ZDUSSCGKSA-N 291.782 2.907 10 40 CFCB O=C(NCCSc1nccs1)OCC(F)(F)F 68051304 RKSWKIDOMIRLIG-UHFFFAOYSA-N 286.300 2.524 10 40 CFCB COc1ccc(CNCc2ccc3c(c2)CCO3)cc1OC 107828171 RQFUALDHHPPYQG-UHFFFAOYSA-N 299.370 2.929 10 40 CFCB Cc1cc(NC(=O)[C@@H](C)Sc2nccs2)on1 48875583 KVIJBLQBOCWRQU-SSDOTTSWSA-N 269.351 2.559 10 40 CFCB CCOc1cc(C=O)cc(CN2CCCCC2)c1O 616575504 CYUUTQUWZLVXMW-UHFFFAOYSA-N 263.337 2.589 10 40 CFCB Nc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 19281386 MMNGSWVVFYFZBB-UHFFFAOYSA-N 276.723 2.940 10 40 CFCB Cc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1 68732635 NVLPPHFJGLQYJU-UHFFFAOYSA-N 281.308 2.641 10 40 CFCB CCCc1cc(O)nc(Sc2ncc([N+](=O)[O-])s2)n1 8717044 RYKJTVBBWBBODC-UHFFFAOYSA-N 298.349 2.651 10 40 CFCB c1ccc(CNCc2ccc(N3CCOCC3)cc2)cc1 20086578 PCJZRZBHARWHHR-UHFFFAOYSA-N 282.387 2.813 10 40 CFCB Cc1cc(C)n(-c2ccc(Nc3ccc(N)cc3)nn2)n1 217506632 OPIOSHWOFUPGNH-UHFFFAOYSA-N 280.335 2.605 10 40 CFCB Cc1ccc(SCC(=O)c2ccc(O)c(O)c2)nc1 42171883 AKGBXJOLUPHFTD-UHFFFAOYSA-N 275.329 2.776 10 40 CFCB O=C1NC(=S)S/C1=C\C=C/c1ccccc1[N+](=O)[O-] 6097514 YJHOWNVOZSVMOV-TYWVWOHTSA-N 292.341 2.640 10 40 CFCB Cc1cc2c(c3nocc13)C(=O)c1ccccc1C2=O 5883241 CSLKMYOHINILJD-UHFFFAOYSA-N 263.252 2.912 10 40 CFCB COc1ccc(C2=NN[C@@H](c3ccccc3)C2)c(O)c1 348699 JGHLMHJQDFMBTP-CQSZACIVSA-N 268.316 2.840 10 40 CFCB biogenic O=c1oc2c(CN3CCCCC3)c(O)ccc2c2c1CCC2 406869 MDOPFNYQIQMZNE-UHFFFAOYSA-N 299.370 2.973 10 40 CFCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(O)c1 96193310 RPZOWXOHVXNZRB-ZROIWOOFSA-N 294.310 2.904 10 40 CFCB CN(C)Cc1cc(Br)cc(Cl)c1O 19851124 HONZMVUOKSZIHR-UHFFFAOYSA-N 264.550 2.870 10 40 CFCB CCN1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5455824 OKHPHYQKFXZMHG-RMKNXTFCSA-N 253.348 2.809 10 40 CFCB Cc1cc(NC(=O)[C@H](C)Sc2nccs2)on1 48875587 KVIJBLQBOCWRQU-ZETCQYMHSA-N 269.351 2.559 10 40 CFCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)NC1=O 5033146 CLEBEOWBQWHQNG-VQLBTBKJSA-N 289.381 2.883 10 40 CFCB CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1 1099536 DUJDRVWHPONYCK-UHFFFAOYSA-N 266.680 2.560 10 40 CFCB biogenic CC[C@@H](N[C@@H](CO)c1ccco1)c1ccccc1O 156135744 MAYSEHOUWFJMRY-OLZOCXBDSA-N 261.321 2.760 10 40 CFCB CN/C=C(\OCc1ccccc1)c1ccc(O)c(O)c1 1593517 UOWCXJSQSYQWSP-YBEGLDIGSA-N 271.316 2.832 10 40 CFCB COc1cc(OC)cc(C(=O)Nc2ccc(N)cc2)c1 20327083 TZOLZKBDIRJERV-UHFFFAOYSA-N 272.304 2.538 10 40 CFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 359879 LTISVXNMVISIBC-GXDHUFHOSA-N 298.729 2.801 10 40 CFCB CCN1C(C)=C(C)S/C1=C1\SC(=S)N(C)C1=O 101955456 UGGKSJUXQZSZII-NTMALXAHSA-N 286.447 2.966 10 40 CFCB COC(=O)c1ccc(CCc2ccc(N)cc2)cc1 75759780 KBYNQGMMCMCOOA-UHFFFAOYSA-N 255.317 2.841 10 40 CFCB CCN1C(=O)N/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409231025 HTFJTIZCGWZDFT-MDWZMJQESA-N 275.352 2.598 10 40 CFCB CCCN1C(=O)/C(=C/c2ccccn2)SC1=S 96019621 IWHIJRYMPOVXTA-NTMALXAHSA-N 264.375 2.693 10 40 CFCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C=O)cn1 72216749 WOIUSUYLNONVHC-HNNXBMFYSA-N 269.348 2.782 10 40 CFCB CC[C@@H](C)CS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 97094606 LEJVTUZRTYAJSZ-GFCCVEGCSA-N 296.436 2.609 10 40 CFCB O=C1NN=C(c2ccccc2)/C1=C\Nc1ccccc1 100438560 HVBNSMLBQXGDJD-SDNWHVSQSA-N 263.300 2.517 10 40 CFCB COc1ccc(N2CCOCC2)c(NC(=O)CC(C)C)c1 7496643 ZMJDTDMHCDVEDB-UHFFFAOYSA-N 292.379 2.516 10 40 CFCB Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 3882147 VMOJFUJVEWWUAV-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB Cc1csc(SCC(=O)c2ccc(O)c(O)c2)n1 7195813 CECFALDUTFHMSM-UHFFFAOYSA-N 281.358 2.838 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21 12138193 KUJYFFKMYKZTTF-MISXGVKJSA-N 261.296 2.843 10 40 CFCB Cc1cc(C)c(C=C2C(=O)OC(C)(C)OC2=O)c(C)c1 1682779 HCRQWJKEIZEFDN-UHFFFAOYSA-N 274.316 2.831 10 40 CFCB CCCCS(=O)(=O)Nc1ccc(O)c(Cl)c1 11691675 RFGMZFARTFRPSL-UHFFFAOYSA-N 263.746 2.587 10 40 CFCB CNCc1ccccc1Sc1ccc(O)c(O)c1 347787 RQBUZXVFWISQFD-UHFFFAOYSA-N 261.346 2.968 10 40 CFCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C/c1ccco1 104299091 OMOHSILMBNIQKR-RVDMUPIBSA-N 294.310 2.650 10 40 CFCB Oc1cc2c(cc1O)[C@@H](c1cccc(Cl)c1)NCC2 19691259 FHVLQGIZVDLJRB-OAHLLOKOSA-N 275.735 2.986 10 40 CFCB COc1cccc(-n2c(C)cc(C(=O)NC3CC3)c2C)c1 45169766 QXCHWNYHMCKHHD-UHFFFAOYSA-N 284.359 2.995 10 40 CFCB CN(C)c1ccc(/C=C\c2cc[n+](CCC(=O)O)cc2)cc1 19776447 KYUWLUJSDXVALO-UHFFFAOYSA-O 297.378 2.685 10 40 CFCB CC[C@@H](C)n1ccc(NCc2ccc(O)cc2O)n1 256053567 RZBOWQJZRDPHTG-SNVBAGLBSA-N 261.325 2.877 10 40 CFCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 380170 RFYXYTSALMIKRF-UHFFFAOYSA-N 293.344 2.592 10 40 CFCB CN(C)c1ccc(CNC(=O)c2ccccc2F)cc1 8171726 XJWWULGEHMGFFL-UHFFFAOYSA-N 272.323 2.822 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C/c1cccnc1 13161642 CBXYULXWBSRLEU-FMIVXFBMSA-N 273.361 2.538 10 40 CFCB CN(Cc1ccc(F)cc1)C(=S)NCc1ccco1 3328434 HOYOHRZFZBVCSQ-UHFFFAOYSA-N 278.352 2.925 10 40 CFCB CC[C@@](O)(CN=[N+]=[N-])[C@H]1CCCN1C(=O)OC(C)(C)C 72207979 FIHUPWPFBYYCQP-ZWNOBZJWSA-N 284.360 2.837 10 40 CFCB COc1cc(N(C)Cc2ccccn2)cc(OC)c1OC 96424541 CUBZXUWBWPYKJM-UHFFFAOYSA-N 288.347 2.744 10 40 CFCB CN(C)C(=O)[C@@H]1CCCN1Cc1c(O)ccc2ccccc12 83843975 QXKJICSVMCESGK-INIZCTEOSA-N 298.386 2.598 10 40 CFCB COc1ccc(-c2cc(=O)oc3c(O)c(O)ccc23)cc1 486047 YSMHBLKPFCNMPE-UHFFFAOYSA-N 284.267 2.880 10 40 CFCB biogenic Cc1occc1C(=O)NCc1ccc(N(C)C)cc1 12537201 VYWWVUUJPYOIJH-UHFFFAOYSA-N 258.321 2.584 10 40 CFCB CCOC(=O)c1cc2c(nc1C)-c1ccccc1C2=O 225836 FPRKCDZFHBFENI-UHFFFAOYSA-N 267.284 2.778 10 40 CFCB COc1ccc(O)c(C2=NN[C@H](c3ccc(F)cc3)C2)c1 32634055 HDJBEWRJORHURD-AWEZNQCLSA-N 286.306 2.979 10 40 CFCB Cc1nc(-c2c(C)oc3c(O)c(O)ccc3c2=O)cs1 5955713 AOCKFCNJNJXNEF-UHFFFAOYSA-N 289.312 2.945 10 40 CFCB biogenic CNCc1cc(Br)cc(Br)c1O 19776787 MHAQLRNOHVNUGL-UHFFFAOYSA-N 294.974 2.637 10 40 CFCB CSc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 4481273 BTMNVZFOUWZVQB-WYBTUVDMSA-N 299.355 2.859 10 40 CFCB CCn1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)n1 2787045 FNZYOVGGEAATAK-JXMROGBWSA-N 281.406 2.513 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1888909608 MOMOVJXRCDJUSJ-SSDOTTSWSA-N 252.224 2.628 10 40 CFCB Nc1ccccc1Sc1ncc([N+](=O)[O-])s1 127511 HMGOYRDBYTYTKZ-UHFFFAOYSA-N 253.308 2.785 10 40 CFCB O=C1NC(=S)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 28166566 ADPLROBYTCRDQH-VMPITWQZSA-N 266.303 2.720 10 40 CFCB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(N)cc1 19281539 ZWWWANQOKHREQC-GFCCVEGCSA-N 266.344 2.789 10 40 CFCB CSc1ncc(Br)c(CN=[N+]=[N-])n1 1857793623 GQXPVJMTNMZSFG-UHFFFAOYSA-N 260.120 2.771 10 40 CFCB CC[C@H](NC(=O)c1ccn2ccnc2c1)c1ccccc1O 95445921 DNEBYIQLONRDOW-AWEZNQCLSA-N 295.342 2.921 10 40 CFCB Cn1cccc1/C=C1/N=C(S)N(c2ccccc2)C1=O 34927081 QJWXNGUQRYNOOI-JLHYYAGUSA-N 283.356 2.699 10 40 CFCB CCN/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C 6257444 JTLFBEZFVVIDST-WQLSENKSSA-N 263.728 2.556 10 40 CFCB O=C1c2cc3c(cc2C(=O)c2ncccc21)CCCC3 1581355 JXDFEJDFHAJJIY-UHFFFAOYSA-N 263.296 2.736 10 40 CFCB CN(C)Nc1cc(N)c(/N=N\c2ccccc2)c(O)n1 17968526 QXHUBMZMKDWMKV-MSUUIHNZSA-N 272.312 2.673 10 40 CFCB CNc1ccc(OC)c2c1C(=O)c1ccccc1C2=O 4140694 YJIUGEXNPJZTHN-UHFFFAOYSA-N 267.284 2.512 10 40 CFCB Cc1c(Cl)cccc1NC=C1C(=O)OC(C)(C)OC1=O 3018258 PLULDSYQGSRRIZ-UHFFFAOYSA-N 295.722 2.780 10 40 CFCB CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 5170459 OIZKXZFSDHBELP-JXMROGBWSA-N 294.357 2.816 10 40 CFCB O=C1N=C(N2CCCC2)S/C1=C\c1ccc(F)cc1 6221115 NLRYUVCHOLEKDP-XFXZXTDPSA-N 276.336 2.892 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1O 58865672 KQBCUMKVLHQRNM-UHFFFAOYSA-N 288.299 2.536 10 40 CFCB Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccccc1 306130554 JJNRPUWXSUTWCB-UHFFFAOYSA-N 294.354 2.995 10 40 CFCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(CO)c1C 223712418 SPLLKEHMKWHOBA-UHFFFAOYSA-N 260.293 2.803 10 40 CFCB COC(=O)Cn1c(-c2ccc(C)cc2)cnc1SC 44085287 VOPNCQFIKXBBGY-UHFFFAOYSA-N 276.361 2.753 10 40 CFCB COc1ccccc1/C(C)=C1/SC(=S)NC1=O 17146170 BMSQEJMNFCQMNX-JXMROGBWSA-N 265.359 2.574 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccncc1 133165 GNAMRRQHNXPNPG-ZRDIBKRKSA-N 273.361 2.538 10 40 CFCB Nc1ccc(CCc2nc3cc(N)ccc3[nH]2)cc1 241730 ZWAWQNGKGSYBNO-UHFFFAOYSA-N 252.321 2.513 10 40 CFCB CCCCS(=O)(=O)Nc1cc(Cl)c(O)cc1C 11691676 DXNLFYGGIUGDBH-UHFFFAOYSA-N 277.773 2.896 10 40 CFCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1C1CC1 7885935 HDEJDHUJPCDKRC-INIZCTEOSA-N 296.326 2.827 10 40 CFCB O=C1N=C(NO)S/C1=C\c1ccccc1C(F)(F)F 6926820 KFFTUJMVVGOZIO-YVMONPNESA-N 288.250 2.655 10 40 CFCB O=C1NC(=S)S[C@@H]1Cc1ccc(C(F)(F)F)cc1 34883654 HBYVUUWMCCSRBI-MRVPVSSYSA-N 291.319 2.764 10 40 CFCB in-vivo CC(=O)Nc1ccc(-n2c(C)cc(CO)c2C)cc1 223714776 LKNYTSRCPDPYRE-UHFFFAOYSA-N 258.321 2.545 10 40 CFCB Cc1nn(CCF)cc1NCc1ccc(N(C)C)cc1 256051642 JZMOVSGELSGVFK-UHFFFAOYSA-N 276.359 2.839 10 40 CFCB COc1ccc(N2CCN(c3ccc(N)cc3C)CC2)cc1 256049801 BLZKUWKKFUZEMU-UHFFFAOYSA-N 297.402 2.912 10 40 CFCB Cc1nn(CC(=O)O)c(C)c1/N=N/c1ccccc1 1565505011 SIGIBWJTFSUYML-CCEZHUSRSA-N 258.281 3.000 10 40 CFCB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2=O 4655106 ANPHVANSJXDRTP-YRBFXIGRSA-N 284.355 2.996 10 40 CFCB O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(O)cs1 101072963 IMKAFFWLFGVDOL-UHFFFAOYSA-N 299.355 2.951 10 40 CFCB CSC1=NC(=O)/C(=C\c2c(C)nn(C)c2Cl)S1 4108758 KFARJMKNEGFCJD-QPJJXVBHSA-N 287.797 2.715 10 40 CFCB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 18150706 DYLFIJBKIWHCAJ-UHFFFAOYSA-N 299.374 2.556 10 40 CFCB Cc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C 78005186 WHKDUBQXGRORMK-UHFFFAOYSA-N 295.335 2.949 10 40 CFCB Cc1cc(CNC(=O)/C=C/c2cccnc2)ccc1N(C)C 78912540 DPOHOYGLHCUPHN-VQHVLOKHSA-N 295.386 2.786 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1888909609 MOMOVJXRCDJUSJ-ZETCQYMHSA-N 252.224 2.628 10 40 CFCB COc1ccc(C)cc1NC(=O)COc1ccc(N)cc1 36720775 WFCNNMKPTMXFSJ-UHFFFAOYSA-N 286.331 2.603 10 40 CFCB Nc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1 19404119 LERSZSAUQNDYCU-UHFFFAOYSA-N 280.249 2.867 10 40 CFCB Oc1ccc(-c2n[nH]cc2Oc2ccccc2)c(O)c1O 5123812 HRFJVJQXZPFJSX-UHFFFAOYSA-N 284.271 2.986 10 40 CFCB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(N)cc2)C1 36075391 SCQCXXWVNOKLOT-CYBMUJFWSA-N 277.368 2.690 10 40 CFCB in-vitro CN(C)c1ccc(/C=C2/OC(=S)N=C2S)cc1 13757552 ILHPWNRSMANFEJ-JXMROGBWSA-N 264.375 2.737 10 40 CFCB Cc1cc(C)c2c(C)nn(-c3ccc(N)cc3)c2n1 32627582 OOJZMFDZRYRLFF-UHFFFAOYSA-N 252.321 2.928 10 40 CFCB in-vitro CN(CCO)c1ccc(/C=C/c2ccncc2)cc1 141822163 FZKHZSOVOKAKSE-NSCUHMNNSA-N 254.333 2.681 10 40 CFCB Cn1c(C(=O)NCc2ccccc2O)cc(Cl)c1Cl 95393283 XVIWTQLJSYCAGD-UHFFFAOYSA-N 299.157 2.968 10 40 CFCB CN(Cc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 7141555 RPGNHNFUKIVXSB-UHFFFAOYSA-N 289.306 2.892 10 40 CFCB C[C@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 226273965 JZSNGUCAPXJHEH-NSHDSACASA-N 270.332 2.503 10 40 CFCB Nc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 19390423 CAISXJKFAFAXKI-UHFFFAOYSA-N 285.366 2.730 10 40 CFCB COC(=O)c1cccc(NCc2cccc(OC)c2O)c1 36890882 ALCRMWZRHPNPQP-UHFFFAOYSA-N 287.315 2.800 10 40 CFCB COc1cccc(CNc2ncnc3ccccc23)c1O 66812738 VETPMDSHVCFXIF-UHFFFAOYSA-N 281.315 2.956 10 40 CFCB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(CO)c1C 223712859 JLSQHAGTMBODSF-UHFFFAOYSA-N 260.293 2.803 10 40 CFCB CC(=O)OC(C)(C)/N=N/c1ccc([N+](=O)[O-])cc1 18120402 NAQUFFAJIDGGHJ-OUKQBFOZSA-N 251.242 2.978 10 40 CFCB Cc1csc(-c2coc3c(O)c(O)ccc3c2=O)n1 6452284 JQGPLJLQKKFASE-UHFFFAOYSA-N 275.285 2.636 10 40 CFCB Cc1ccc(OCC(=O)Nc2ccc(N)cc2)c(C)c1 19736727 JMXLSKRTUDOWBP-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1C 408963104 AATKXFFURPGABL-PTNGSMBKSA-N 265.316 2.831 10 40 CFCB COc1ccccc1/C=C1/SC(N2CCCC2)=NC1=O 81197 ILFIKSVXNWTHTH-JLHYYAGUSA-N 288.372 2.761 10 40 CFCB CN(C)c1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1 6733632 AENBPQWURKTNBE-UHFFFAOYSA-N 281.315 2.994 10 40 CFCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccc(Cl)cc1 100408785 HHDUEQMJFQUXEV-YVMONPNESA-N 289.644 2.684 10 40 CFCB CN1C(=O)/C(=C/c2ccc(N(C)C)s2)SC1=S 26570577 ZQJKSDYZGVLQCC-VURMDHGXSA-N 284.431 2.645 10 40 CFCB Cc1oc(C(=O)O)cc1COc1ccc(C(=O)O)cc1 5576850 MDDPOPOENGKBMI-UHFFFAOYSA-N 276.244 2.563 10 40 CFCB Cc1cc(N(C)C)ccc1CN[C@H](C)CCn1cccn1 97049307 ZWSTZLVICCNHGT-OAHLLOKOSA-N 286.423 2.826 10 40 CFCB O=c1nc(/C=C/c2ccc(O)c(O)c2)oc2ccccc12 4860716 WSKZTJJYLBILTO-SOFGYWHQSA-N 281.267 2.770 10 40 CFCB COCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225608755 WVPSIOJRFHJZDQ-ZDUSSCGKSA-N 276.380 2.501 10 40 CFCB CC1=CC2=NC(=O)/C(=C/C=C/c3ccccc3)C(=N)N2O1 41078291 AMEVPTKRHMAULV-KFGYVKIYSA-N 279.299 2.693 10 40 CFCB Nc1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 20186590 DLAIJANBBMFDFY-UHFFFAOYSA-N 280.371 2.786 10 40 CFCB Cc1nn(C(N)=S)c(C)c1/N=N\c1ccc(O)cc1 104230950 VNEYTIQDFHRHEH-PFONDFGASA-N 275.337 2.713 10 40 CFCB Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C=O)cn1 72216750 WOIUSUYLNONVHC-OAHLLOKOSA-N 269.348 2.782 10 40 CFCB COc1ccc(OC)c(-n2c(C)cc(C(=O)O)c2C)c1 8703238 DANXOKYHRKVGOG-UHFFFAOYSA-N 275.304 2.810 10 40 CFCB Oc1ccc2ccccc2c1CN1CCC2(CC1)OCCO2 16525828 ZZICSVHVIDUMBD-UHFFFAOYSA-N 299.370 2.884 10 40 CFCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1O 1193495 KWGJAFWTNWDIET-YRNVUSSQSA-N 295.385 2.622 10 40 CFCB O=c1oc2c(CN3CCCC3)c(O)ccc2c2c1CCCC2 116743 HBXCIPLEXAZABK-UHFFFAOYSA-N 299.370 2.973 10 40 CFCB biogenic CCCN(CC(=O)O)c1ccc(OC)c(Cl)c1 76665281 CNFQUFAZYVOSNI-UHFFFAOYSA-N 257.717 2.650 10 40 CFCB COc1ccc(CN[C@@H](C)c2nnc3ccccn23)cc1C 24828937 RKJBZNFDJCBCBJ-ZDUSSCGKSA-N 296.374 2.897 10 40 CFCB CC1=C(C)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 104154049 BGLKSSVALIQOIC-NXEZZACHSA-N 272.300 2.839 10 40 CFCB COc1ccc(CNCc2ccc(N(C)C)cc2)cc1O 20146007 DRZPNMJOANVXNN-UHFFFAOYSA-N 286.375 2.757 10 40 CFCB C[C@@H](CNC(=O)c1ccc(O)c(O)c1)c1ccsc1 97235356 SYZYKYHXQVIHNB-VIFPVBQESA-N 277.345 2.693 10 40 CFCB Oc1cc2c(cc1CN1CCc3ccccc3C1)OCO2 5066513 YCUHIRYZHUOVFM-UHFFFAOYSA-N 283.327 2.679 10 40 CFCB O=[N+]([O-])c1ccc(NNC(=S)Nc2ccccc2)cc1 13468766 IWXKCYOPIUMBPU-UHFFFAOYSA-N 288.332 2.908 10 40 CFCB CC[C@@H](NCCC(=O)NC1CCCC1)c1ccccc1O 95985120 MSUGKHJQDFXLBI-OAHLLOKOSA-N 290.407 2.882 10 40 CFCB Cc1cc(Nc2ccc(N)cc2)nc(N2CCCC2)n1 217508002 HSKACNVOWFZPOZ-UHFFFAOYSA-N 269.352 2.711 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 1889014779 SWEZYNKAAAPURE-SNVBAGLBSA-N 264.716 2.999 10 40 CFCB Cc1ccc(/N=N/[C@H]2C(=O)NN(c3ccccc3)C2=O)cc1 100353211 GUYUPWKVBCLPRK-YWMAMYRUSA-N 294.314 2.525 10 40 CFCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc[nH]3)C2=O)c1 8664814 NIHUFAQPUIVLKQ-LCYFTJDESA-N 295.298 2.830 10 40 CFCB Cc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 19265412 CHRFEDUKPBCJQD-UHFFFAOYSA-N 256.305 2.595 10 40 CFCB CCN1C(=O)/C(=C\Nc2ccc(OC)cc2)SC1=S 6710918 RGSSOVRLVMEJAV-DHZHZOJOSA-N 294.401 2.829 10 40 CFCB CCOC(=O)[C@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]12 12404100 KUJYFFKMYKZTTF-MJVIPROJSA-N 261.296 2.843 10 40 CFCB CC[C@@H](NC(=O)c1ccn2ccnc2c1)c1ccccc1O 95445922 DNEBYIQLONRDOW-CQSZACIVSA-N 295.342 2.921 10 40 CFCB CCOC(=O)/C(Cl)=C/c1ccc(N(C)C)cc1 33948683 WNDNFZAHDSJBKK-XFXZXTDPSA-N 253.729 2.895 10 40 CFCB Nc1ccc(Oc2ccnc(C(F)(F)F)n2)cc1 20357556 LRAWJNQDGFKVGV-UHFFFAOYSA-N 255.199 2.870 10 40 CFCB CN(C)c1ccc([C@H]2NC(=O)c3ccccc32)cc1 6273352 USIGTOKZBCNDGL-OAHLLOKOSA-N 252.317 2.585 10 40 CFCB CCN1C(=O)/C(=C\NCCc2ccccc2)SC1=S 5967881 ABNPPWPAZZSZIU-ZRDIBKRKSA-N 292.429 2.540 10 40 CFCB CCCn1cc(CNCc2ccc(N(C)C)cc2)c(C)n1 256052695 OHYZJMPOKYCOCK-UHFFFAOYSA-N 286.423 2.957 10 40 CFCB CC(C)c1cc(CNCc2ccccc2O)n(C)n1 256052790 ORIXDNABWNCZEK-UHFFFAOYSA-N 259.353 2.539 10 40 CFCB Nc1ccc(Oc2ccccc2C(=O)N2CCOCC2)cc1 41107754 YZEHXAFGBFERTC-UHFFFAOYSA-N 298.342 2.534 10 40 CFCB CNC[C@@H](OCCc1ccccc1)c1ccc(O)c(O)c1 1593542 LBPQZSRAMFQEHA-QGZVFWFLSA-N 287.359 2.618 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 103120732 LHWZUZSPRKNEBP-OFQRWUPVSA-N 270.376 2.581 10 40 CFCB CC1=C(C(=O)NCc2ccc3cccnc3c2O)CCCO1 521396410 VIPQNOQLBXQBTB-UHFFFAOYSA-N 298.342 2.641 10 40 CFCB CC/C=C1\SC(/C(=C/CC)C(=O)OCC)=NC1=O 5414756 VHDVVCOFRDJKEO-XOHWUJONSA-N 267.350 2.852 10 40 CFCB CCOC(=O)c1ccc(-n2c(C)cc(CO)c2C)cc1 8701660 FVKFFLVEPLGHCA-UHFFFAOYSA-N 273.332 2.763 10 40 CFCB COc1ccc(N(C)Cc2nc(C3CC3)no2)cc1OC 58214699 UJSNNQLQIDXMHD-UHFFFAOYSA-N 289.335 2.601 10 40 CFCB CCc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C[C@H](C)N2 95478422 UDMSODARFLMUBH-SMDDNHRTSA-N 285.395 2.700 10 40 CFCB CC1CCN(C2=NC(=O)/C(=C/c3cccnc3)S2)CC1 24543869 VVWDZNRXAJTUPK-LCYFTJDESA-N 287.388 2.784 10 40 CFCB CC(C)CNCc1cc(Br)ccc1O 62730035 MAVNRTPZFYGGEL-UHFFFAOYSA-N 258.159 2.900 10 40 CFCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/N(C)C 5007036 YOBDSBYHQPBQQR-XYOKQWHBSA-N 263.728 2.508 10 40 CFCB CCN(CC)CN1C(=O)/C(=C\c2ccco2)SC1=S 13398550 IYZQBWUNCLJLME-DHZHZOJOSA-N 296.417 2.780 10 40 CFCB CCOC(=O)N1CCC(Nc2c(N)cccc2Cl)CC1 20384306 HVYVMPBCONSNNM-UHFFFAOYSA-N 297.786 2.955 10 40 CFCB N#CCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 6616426 HBAJGKWAAFZOFR-KPKJPENVSA-N 299.380 2.654 10 40 CFCB CC(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O 3845296 LGEHJBUXJXWUHV-UHFFFAOYSA-N 279.295 2.729 10 40 CFCB biogenic Cc1n[nH]cc1CNCc1ccc(N2CCCC2)cc1 38011445 CINQHZFLXOMAGG-UHFFFAOYSA-N 270.380 2.608 10 40 CFCB O=C1/C(=C\c2ccco2)SC(=S)N1C[C@@H]1CCCO1 1450948 ZZNXBKIYVRFNAN-VUBLIPMDSA-N 295.385 2.660 10 40 CFCB CCCN(CCCC(=O)O)c1ccc(OC)cc1 59043133 YPDNUBFLQPFTKS-UHFFFAOYSA-N 251.326 2.776 10 40 CFCB Cn1cc(CN(Cc2ccco2)Cc2ccccc2O)cn1 70975744 SHOPHCCEUGBMHS-UHFFFAOYSA-N 297.358 2.921 10 40 CFCB COc1ccc2ccccc2c1/C=C1/SC(N)=NC1=O 6174656 DYLKVZWJUWGIOK-MDWZMJQESA-N 284.340 2.777 10 40 CFCB Cc1ccc(N2NC(=O)/C(=C/c3cccs3)C2=O)cc1C 6173820 JIXMRJVNOQHYKD-ZROIWOOFSA-N 298.367 2.826 10 40 CFCB O=C1c2ccccc2N[C@@H](c2cccc(O)c2O)N1C1CC1 7885878 HKCDPRZOQFLVCV-MRXNPFEDSA-N 296.326 2.827 10 40 CFCB Cc1ccc(N2C(=O)/C(=C/NC3CC3)SC2=S)cc1 618255256 UIKBDZAYFCTESQ-WQLSENKSSA-N 290.413 2.953 10 40 CFCB CCOc1ccccc1NC(=S)NCc1ccccn1 13838574 IBOCMOMUYFPVKW-UHFFFAOYSA-N 287.388 2.967 10 40 CFCB O=C1c2ccccc2N[C@H](c2cccc(O)c2O)N1C1CC1 7885879 HKCDPRZOQFLVCV-INIZCTEOSA-N 296.326 2.827 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 12540249 IOVPTIVDNHDPNR-AWEZNQCLSA-N 258.365 2.725 10 40 CFCB Oc1ccc([C@@H]2NN=C(c3ccccc3O)S2)cc1 408723512 XOZJWPDGIWNOAA-CYBMUJFWSA-N 272.329 2.795 10 40 CFCB CCCN(Cc1ccccc1O)S(=O)(=O)[C@H](C)CC 95432969 VBLHQSHVAAAYIX-GFCCVEGCSA-N 285.409 2.733 10 40 CFCB Cc1ccc(CNC(=O)Nc2ccc(N)cc2)cc1 35407950 JCVOSBMWNIUONO-UHFFFAOYSA-N 255.321 2.899 10 40 CFCB CCCn1cc(CNCc2ccc(N(C)C)cc2)cn1 116912507 UTBDQSJEGAWFAU-UHFFFAOYSA-N 272.396 2.649 10 40 CFCB CCCCS(=O)(=O)N[C@H](CC)c1ccccc1O 96417502 QFIHMTFANRHEPR-GFCCVEGCSA-N 271.382 2.563 10 40 CFCB CC(=O)c1ccc(OCc2ccccc2)c(O)c1O 2559226 ATPRISWXCSYAJU-UHFFFAOYSA-N 258.273 2.879 10 40 CFCB COc1cccc(CNc2ccc3c(c2)OCCO3)c1O 19916168 LWMTYOJIFMFJMI-UHFFFAOYSA-N 287.315 2.784 10 40 CFCB Nc1ccc(Cc2nc(-c3ccccc3)no2)cc1 19771968 WTZBSCFSHFVEQY-UHFFFAOYSA-N 251.289 2.910 10 40 CFCB O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccccc1 7996909 SWUARLUWKZWEBQ-CLFYSBASSA-N 284.311 2.897 10 40 CFCB aggregator Cn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccccn1 101717171 WGYODEQYWMFBEV-ICFOKQHNSA-N 299.355 2.792 10 40 CFCB CCOC(=O)[C@@H](/N=N\c1ccccc1)C(=O)c1ccncc1 104369715 VSGWFHRCBLPDBN-JGWKNBOWSA-N 297.314 2.980 10 40 CFCB Oc1ccccc1[C@@H](Nc1ncccn1)c1ccco1 1272969 OAUCXPSMCQYWNB-CQSZACIVSA-N 267.288 2.977 10 40 CFCB CCOc1cccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)c1 1889006985 OULLFDXPNIQXAN-GFCCVEGCSA-N 274.324 2.744 10 40 CFCB C/C(=C1\SC(=S)NC1=O)c1ccc(F)cc1 207468332 ONEWMBVCBRMPGY-RMKNXTFCSA-N 253.323 2.705 10 40 CFCB CCCN/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 6755891 XCBXXROJEDWVFW-UVTDQMKNSA-N 257.337 2.601 10 40 CFCB CCN1C(=O)[C@@H](Cc2ccc(OC)c(C)c2)SC1=S 6952995 OJWQOYYEKAEPEJ-GFCCVEGCSA-N 295.429 2.795 10 40 CFCB CC(C)N1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 36617126 WFJAYXTXUURBJZ-WZUFQYTHSA-N 295.385 2.707 10 40 CFCB Cc1ccc(NC(=O)[C@]23CC[C@H](C(=O)C2=O)C3(C)C)c(C)c1 100281916 RWFMODFYTWMMBT-XIKOKIGWSA-N 299.370 2.816 10 40 CFCB Nc1ccc(C[C@H]2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1 211331223 CBVGYKIYIAYXTO-SQNIBIBYSA-N 282.387 2.666 10 40 CFCB COC(=O)c1ccc(OC)c(-n2c(C)cc(C=O)c2C)c1 223718304 IOIMZEMBVWUDHL-UHFFFAOYSA-N 287.315 2.702 10 40 CFCB O=[N+]([O-])c1ccc(O)c(CNCc2ccccc2)c1 1644060 JHEKRAVDVLZZNI-UHFFFAOYSA-N 258.277 2.590 10 40 CFCB CCOC(=O)c1sc2nc(C)c(C)c(C)c2c1N 59427 DQNBTPSVBBGYGC-UHFFFAOYSA-N 264.350 2.980 10 40 CFCB Cc1cc(N2CCCC2)c(F)cc1/C=C/[N+](=O)[O-] 615290 CTHWWNOHSNCVQW-QPJJXVBHSA-N 250.273 2.982 10 40 CFCB CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccco1 17971568 OMOHSILMBNIQKR-PTNGSMBKSA-N 294.310 2.650 10 40 CFCB C[C@@H](NCc1ccccc1O)c1ccc(-n2cncn2)cc1 69563934 HTHCXNQTTZSMPG-CYBMUJFWSA-N 294.358 2.824 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1F 58731154 PTGBFIWGEALULI-CYBMUJFWSA-N 276.355 2.864 10 40 CFCB COc1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 8170794 YSSIVCHWYYVTIT-UHFFFAOYSA-N 298.386 2.620 10 40 CFCB COc1ccccc1NC(=O)CCc1ccc(N)cc1 20186763 HTQFZPJNEKFAGG-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB COc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 21966065 WCTLZJANTKDUCA-UHFFFAOYSA-N 257.293 2.921 10 40 CFCB CCOCCN(C)C1CCN(c2ccc(OC)cc2)CC1 72801439 VSXFVPQZKQNXHM-UHFFFAOYSA-N 292.423 2.632 10 40 CFCB O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12 57846 WAOMPPQDRVQLSX-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic CCCCN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 35042130 WJHQPCRASPMJIW-XYOKQWHBSA-N 293.344 2.934 10 40 CFCB COc1cc(C)c(/C=C2/SC(=S)NC2=O)cc1OC 408547912 ASQDTHVKALDQAT-IZZDOVSWSA-N 295.385 2.501 10 40 CFCB COC(=O)/C=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 33378672 RFFDBKLGIPRZHJ-VURMDHGXSA-N 290.319 2.771 10 40 CFCB Cc1ccsc1/C=C1\SC(=S)N(C)C1=O 12463205 FOZZKBCAGWCCOO-YVMONPNESA-N 255.389 2.888 10 40 CFCB CN(C)c1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 20094706 ZEVJKTIDJUFDSJ-UHFFFAOYSA-N 282.347 2.534 10 40 CFCB CN(C)c1ccc([C@H]2SC=C3SC(N)=NN32)cc1 1409873 SMJCVSDZUXCMQN-LLVKDONJSA-N 278.406 2.575 10 40 CFCB COC(=O)c1ccc(NCc2ccccc2O)c(F)c1 80943363 CITOAOCEIHVSEA-UHFFFAOYSA-N 275.279 2.930 10 40 CFCB Oc1ccc2ccccc2c1CN1CCC[C@@H](O)C1 7011662 VILKJYVGSKHXON-CYBMUJFWSA-N 257.333 2.502 10 40 CFCB COc1ccc(N2CCN(c3ccccc3)CC2)c(N)c1 211816662 AJEDVGUZKTUHJL-UHFFFAOYSA-N 283.375 2.604 10 40 CFCB CCn1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cn1 13959944 QFAALVOZZJJGNF-YHYXMXQVSA-N 281.406 2.513 10 40 CFCB CCN1C(=O)/C(=C\c2cccc(C)n2)SC1=S 17163040 VYXLEODTIGJFOI-JXMROGBWSA-N 264.375 2.611 10 40 CFCB Oc1n[n+](-c2ccccc2Cl)cc2ccccc12 19872619 RTTNNVQLTZUBJR-UHFFFAOYSA-O 257.700 2.871 10 40 CFCB CCOC(=O)[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]12 58850825 ZALBGORTRQIMDJ-NURSFMCSSA-N 261.296 2.843 10 40 CFCB CCOc1ccc(N(C)Cc2nnc(C3CC3)o2)cc1 96417908 ZRJNYBMYCSPEJZ-UHFFFAOYSA-N 273.336 2.982 10 40 CFCB Cc1cccc2c1NC(=O)[C@]21NN=C(c2ccccc2)S1 802399 XJNZELGDTVCYJB-INIZCTEOSA-N 295.367 2.798 10 40 CFCB C[C@@H](Cc1ccccc1)NCC(=O)c1ccc(O)c(O)c1 1673161 XCVZMAGJKSOXDE-LBPRGKRZSA-N 285.343 2.501 10 40 CFCB O=C1c2ccccc2C(=O)C12O[C@H]2c1cccc(F)c1 4681859 MWQVNFKDIGTJAN-HNNXBMFYSA-N 268.243 2.715 10 40 CFCB CCc1cc2c(cc1O)C(=O)c1ccccc1C2=O 4568221 UVDVUCRPULRJMD-UHFFFAOYSA-N 252.269 2.730 10 40 CFCB CC[C@](O)(CN=[N+]=[N-])[C@@H]1CCCN1C(=O)OC(C)(C)C 72207978 FIHUPWPFBYYCQP-GWCFXTLKSA-N 284.360 2.837 10 40 CFCB CCc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 446836 IAHPLNHUKFXLIG-VBKFSLOCSA-N 292.338 2.710 10 40 CFCB CC1=NNC(=O)/C1=C/Nc1cc(Cl)cc(Cl)c1 100151354 IGUVTDJNAMEDTF-BJMVGYQFSA-N 270.119 2.795 10 40 CFCB CCOc1ccc(N2CCN[C@H]3CCCC[C@@H]32)cc1 225713189 AMMQQQRSAJNFHC-HOTGVXAUSA-N 260.381 2.806 10 40 CFCB CC/C(N)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C 17835569 JIQISAJOIMVXMP-XFXZXTDPSA-N 286.360 2.642 10 40 CFCB COc1cc([N+](=O)[O-])c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 45886739 GMUNFBLJEFLFOD-SECBINFHSA-N 295.295 2.890 10 40 CFCB Cc1n[nH]cc1CNCc1ccc(N2CCCCC2)cc1 37989215 YJJBEQPBOUHXKT-UHFFFAOYSA-N 284.407 2.998 10 40 CFCB CN(CC(=O)O)Cc1c(O)c(Cl)cc(Cl)c1Cl 1677218 AFNKCFYOQROHMA-UHFFFAOYSA-N 298.553 2.869 10 40 CFCB in-vitro Nc1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 1710092 DQYOYWNAUXFAHW-UHFFFAOYSA-N 274.276 2.635 10 40 CFCB CN(C(=O)CCc1ccc(N)cc1)c1ccccc1 20186696 CLWSEADDXHGHND-UHFFFAOYSA-N 254.333 2.864 10 40 CFCB O=C(O)CCc1ccc(-c2cccs2)n1CCC(=O)O 559613 HHCVDGZCCRFXOU-UHFFFAOYSA-N 293.344 2.709 10 40 CFCB CN(C)c1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1 51547 LOMXCPKWRVIZDN-JLHYYAGUSA-N 282.299 2.690 10 40 CFCB Cc1ccc(O)c(CN2CCC(NCC3CC3)CC2)c1 97229199 JPJULZIVTANKCE-UHFFFAOYSA-N 274.408 2.665 10 40 CFCB Cc1cc(O)ccc1NS(=O)(=O)c1ccccc1 383573 MFXQIOMFXXIRQI-UHFFFAOYSA-N 263.318 2.501 10 40 CFCB Nc1cccc2c1C(=O)c1c(Cl)cccc1C2=O 4366268 JMNNJCADZZBEOW-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB O=C(O)[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]12 22204668 SIPMQZFVMNEOFU-OPVBNTEQSA-N 294.694 2.787 10 40 CFCB CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O 48464673 QUNBGXZRAKBSLX-HNNXBMFYSA-N 268.316 2.979 10 40 CFCB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCc2ccccc21 9447466 PTVLUUXITKYWND-CMDGGOBGSA-N 281.359 2.639 10 40 CFCB COc1ccccc1N1CCN(c2ccc(N)cc2)CC1 8030917 PLZOYODWWIFGJD-UHFFFAOYSA-N 283.375 2.604 10 40 CFCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C=O)cc1 66091592 RHTITGVOEOXIQJ-INIZCTEOSA-N 296.326 2.708 10 40 CFCB Fc1cccc(F)c1NC(=S)NCc1ccccn1 225329606 CLTVJHNVXNJUPQ-UHFFFAOYSA-N 279.315 2.846 10 40 CFCB Nc1ccc(OCc2noc(-c3ccccc3)n2)cc1 38055580 NQNPIRPIEUKKBR-UHFFFAOYSA-N 267.288 2.898 10 40 CFCB O=C(O)c1cccc2c1C(=O)c1c(Cl)cccc1C2=O 5189701 KUDPRNGXHWPTPD-UHFFFAOYSA-N 286.670 2.814 10 40 CFCB Nc1ccc(OCCN2CCc3ccccc3C2)cc1 19731845 XEEMYGPAQINEGD-UHFFFAOYSA-N 268.360 2.706 10 40 CFCB C[C@]1(c2cc(Cl)ccc2O)NN=C2CCCCC2=[N+]1[O-] 5211588 ZERPBGYFYINPFQ-AWEZNQCLSA-N 293.754 2.703 10 40 CFCB Oc1ccc(Cl)cc1CNCC[C@@H]1CCCO1 38095592 FGKVGYGPNNIJQS-LBPRGKRZSA-N 255.745 2.704 10 40 CFCB COCCc1ccc(CO)n1Cc1ccc(Cl)cc1 226030961 DDMPKFQNBLKZEZ-UHFFFAOYSA-N 279.767 2.871 10 40 CFCB CN(C)c1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)cc1 843033 GBOHJUQDELAZTL-QGZVFWFLSA-N 295.386 2.973 10 40 CFCB CCc1nc2sc(C(=O)OC)c(N)c2cc1C 1295868 GMPOGLQEMUIFSG-UHFFFAOYSA-N 250.323 2.536 10 40 CFCB CCNCCCNCc1ccc(N(CC)CC)cc1 13735187 XEWUCEAXFFIIDO-UHFFFAOYSA-N 263.429 2.622 10 40 CFCB C[C@H]1CN(C2=NC(=O)C(=C3CCCCC3)S2)C[C@@H](C)O1 12417982 PWIFQIZXXNHEHG-PHIMTYICSA-N 294.420 2.943 10 40 CFCB O=C(NCCCSc1nccs1)N1C[C@H]2CC[C@H]1C2 101636559 ZSHVHAUYCVJGJZ-QWRGUYRKSA-N 297.449 2.819 10 40 CFCB CCO/C(=C\c1ccc(N(C)C)cc1)c1n[nH]c(=N)s1 408718209 BAXGMTBWOLXIRA-XFXZXTDPSA-N 290.392 2.551 10 40 CFCB Cc1ccc(N=N[C@@H]2C(=O)NN(c3ccccc3)C2=O)cc1 245239250 GUYUPWKVBCLPRK-CQSZACIVSA-N 294.314 2.525 10 40 CFCB O=C1N=C(N2CCCC2)S/C1=C\c1cccs1 535602 UNHRIIALNGZOBM-NTMALXAHSA-N 264.375 2.814 10 40 CFCB COC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 8733468 HXANJYAVBOKAHI-UHFFFAOYSA-N 271.316 2.622 10 40 CFCB Oc1cc2c(cc1O)[C@H](c1ccccc1Cl)NCC2 19691265 IHZGTTDTUCVMNX-HNNXBMFYSA-N 275.735 2.986 10 40 CFCB CN(Cc1ccccc1O)C(=O)NCc1ccccc1F 45817008 JUDDDXIRKXPYCM-UHFFFAOYSA-N 288.322 2.873 10 40 CFCB CCCn1cc(/C=C2/C(=O)NC(=O)N=C2O)c2ccccc21 5050611 PREIWDKPOJJYIZ-UHFFFAOYSA-N 297.314 2.641 10 40 CFCB CCn1c(C)cc([C@@H]2NCCc3cc(O)c(O)cc32)c1C 4393406 JDVHYXKYCQQPDO-KRWDZBQOSA-N 286.375 2.771 10 40 CFCB COC(=O)c1cc(C)n(-c2cc(OC)ccc2OC)c1C 223713655 UIJLYIOQJTYAFA-UHFFFAOYSA-N 289.331 2.898 10 40 CFCB CS(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12 200089886 ZZOBBNPJFPANFJ-UHFFFAOYSA-N 271.725 2.570 10 40 CFCB CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O 7616075 YEUOAHVIBOUYJQ-ZDUSSCGKSA-N 270.288 2.683 10 40 CFCB CCc1ccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)cc1 1889020541 HLFIEWOCEZSNDD-CYBMUJFWSA-N 258.325 2.908 10 40 CFCB Oc1ccccc1C1=NN[C@H](c2ccccc2F)C1 4897925 XMDMAAGFWYQMJD-ZDUSSCGKSA-N 256.280 2.970 10 40 CFCB CN(CCO)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 3305959 OECWGVYLHMPTHT-FOWTUZBSSA-N 294.354 2.608 10 40 CFCB COc1cc2c(cc1C)C(=O)c1ccccc1C2=O 14488656 YJILUWQPXMLLTN-UHFFFAOYSA-N 252.269 2.779 10 40 CFCB CC(C)Cc1nc(C=S(C)(C)=O)c2ccccc2n1 218782067 VMEJJKWEQGFUKL-UHFFFAOYSA-N 276.405 2.523 10 40 CFCB O=c1cc(-c2ccc(O)c(O)c2)oc2ccc(O)cc12 57695 BYVNWEGWXASECK-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(O)c1 82820 QEFSZHTXVNVMTG-JLHYYAGUSA-N 288.372 2.848 10 40 CFCB CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1 1624807 NUHDRLKVOVWUTD-UHFFFAOYSA-N 266.680 2.560 10 40 CFCB CC(C)(C)OC(=O)NCCCOc1ccc(N)cc1 32114445 GVGTWZWYMNBHJK-UHFFFAOYSA-N 266.341 2.562 10 40 CFCB CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1O 20195461 NNWCYRGULSEIEY-VIFPVBQESA-N 264.152 2.560 10 40 CFCB COc1ccc(NC(=O)CCc2ccc(N)cc2)cc1 20186767 YWEDIHYZZJJIFR-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB CCOc1cccc([C@@H]2NC(=O)c3ccccc3N2C)c1O 9118091 KZYSKNVVCKFZHZ-MRXNPFEDSA-N 298.342 2.669 10 40 CFCB COc1cc(/C=C\C(=O)NCCCCN=[N+]=[N-])ccc1O 8652495 DQOJOCIGFJOISA-ALCCZGGFSA-N 290.323 2.621 10 40 CFCB CCN(CC)c1ccc(N2C(=O)CSC2=S)cc1 4859627 UTPMMNARSXJYOB-UHFFFAOYSA-N 280.418 2.898 10 40 CFCB CC(C)(C)OC(=O)N1CCC[C@@H]([C@](C)(O)CN=[N+]=[N-])C1 72208054 IUWOUMBNTXVCQP-ZWNOBZJWSA-N 284.360 2.695 10 40 CFCB Cc1ccccc1-n1c(C)cc(C(=O)NCCCO)c1C 97176673 BZIXPGUFDYHYAQ-UHFFFAOYSA-N 286.375 2.515 10 40 CFCB Oc1ccc(CNc2cccnc2Br)cc1O 236600613 AWVMGBGGFMDYKD-UHFFFAOYSA-N 295.136 2.867 10 40 CFCB CC(C)(C)[C@@H]1C[C@@H](C(C)(C)C)C(=O)C(=[N+]=[N-])C1=O 5379744 YJPAXEHZSANGLT-RKDXNWHRSA-N 250.342 2.524 10 40 CFCB COc1ccc([C@H]2CC(c3ccc(OC)cc3O)=NN2)cc1 378876 FGLBJVVPLTVNAD-OAHLLOKOSA-N 298.342 2.848 10 40 CFCB CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(N)cc2)C1 89223663 IOROWRBFSNXDSS-GFCCVEGCSA-N 291.395 2.620 10 40 CFCB Cc1cc(/C=C2\NC(O)=NC2=O)c(C)n1-c1ccc(F)cc1 13786068 GJSRLJGGQRYSNH-ZSOIEALJSA-N 299.305 2.618 10 40 CFCB O=C1c2ccccc2C(=O)c2c1nc(-c1ccccc1)n2O 78549971 LMJGHWYKBJEAQE-UHFFFAOYSA-N 290.278 2.563 10 40 CFCB COC(=O)c1sc2nc(-c3ccco3)ccc2c1N 520985 DJZMFRQCNZZSKR-UHFFFAOYSA-N 274.301 2.925 10 40 CFCB CN(C)c1ccc(CNC(=O)Nc2nccs2)cc1 42754778 XPTYNNCSOZGUPH-UHFFFAOYSA-N 276.365 2.531 10 40 CFCB CCCN/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C 6777882 LXZSANICQOHKLF-XNTDXEJSSA-N 271.364 2.909 10 40 CFCB Cc1cccc(C)c1N/C=C1\C(=O)NN=C1C(F)(F)F 100145501 IRILNTIYUOIDKW-TWGQIWQCSA-N 283.253 2.647 10 40 CFCB O=C(O)CCc1ccc(-c2ccccc2)n1CCC(=O)O 559573 XUQIGGJYCFCTGT-UHFFFAOYSA-N 287.315 2.647 10 40 CFCB Cc1cc(NCc2ccc(O)cc2O)nn1CC(C)C 256055037 YWLXWFAWZITZLG-UHFFFAOYSA-N 275.352 2.871 10 40 CFCB CCCC1=NN2C(=N)/C(=C/c3ccncc3)C(=O)N=C2S1 41083426 KVDHFWVLXWURIE-QHDOCQFZSA-N 299.359 2.501 10 40 CFCB C[C@H](NCc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 36369687 TYROVGXVOBWINF-KSSFIOAISA-N 284.403 2.964 10 40 CFCB CCOc1c(/C=C2\SC(S)=NC2=O)cccc1OC 6944093 LXMUIZLLTWJBNZ-YFHOEESVSA-N 295.385 2.994 10 40 CFCB C[C@H]1Nc2ccccc2[C@H]1/C=C1\SC(=S)NC1=O 17007622 JXBGQGJBAFNIKX-DLCSBVNLSA-N 276.386 2.616 10 40 CFCB CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O 30542554 SYQABSFLSJSBFD-INIZCTEOSA-N 298.342 2.987 10 40 CFCB CCOC(=O)c1cnn(-c2ccc(N)cc2)c1C(F)(F)F 82730 FBVMBKURYFZUDE-UHFFFAOYSA-N 299.252 2.650 10 40 CFCB O[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1 96528299 WNEROAUXERBIGQ-INIZCTEOSA-N 269.344 2.837 10 40 CFCB CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]12 12138205 SUGWMTABQUGZKF-UDZFHETQSA-N 288.303 2.612 10 40 CFCB COc1ccc(-c2coc3cc(O)c(O)cc3c2=O)cc1 6484559 GCWOYVFHJDNKIN-UHFFFAOYSA-N 284.267 2.880 10 40 CFCB biogenic,in-vitro COc1cc(N2CCCCC2)ccc1/C=C\[N+](=O)[O-] 409252439 XUWCOTMZXALYAM-YFHOEESVSA-N 262.309 2.933 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]12 12138191 KUJYFFKMYKZTTF-JTNHKYCSSA-N 261.296 2.843 10 40 CFCB CCO/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 1564464 SRIYULFKTDPKHW-YFHOEESVSA-N 281.358 2.635 10 40 CFCB CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 6394137 XBTQICOQOGKABC-JLHYYAGUSA-N 288.372 2.953 10 40 CFCB Cc1cccc(NC(=O)COc2ccc(N)cc2)c1 19266516 NDCDLDVKMNYPAO-UHFFFAOYSA-N 256.305 2.595 10 40 CFCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 13548772 FKFMMSOHYHLUCK-JXMROGBWSA-N 265.359 2.526 10 40 CFCB CO[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H](C)O1 5203161 PDONKCFUOXOLLW-SQNXGDPESA-N 291.307 2.672 10 40 CFCB O=C(Cc1ccc(Cl)cc1)c1ccc(O)c(O)c1O 5569646 VHNHVUUGDDIUFW-UHFFFAOYSA-N 278.691 2.882 10 40 CFCB CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1O 48464670 QUNBGXZRAKBSLX-OAHLLOKOSA-N 268.316 2.979 10 40 CFCB COc1ccc(CN[C@@H](CO)c2ccccc2)cc1C 63000309 UPJUADCPVPXEAK-INIZCTEOSA-N 271.360 2.827 10 40 CFCB Cc1noc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C 58769913 WTDSXDRQPYHLQB-UHFFFAOYSA-N 299.374 2.604 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(C)n1 6922242 LQCVWCPUWGHKFZ-GDNBJRDFSA-N 280.331 2.535 10 40 CFCB Cc1cc(C(N)=O)c(C)n1-c1ccc(Br)cc1 3220722 KTCKXWHHLMVVHZ-UHFFFAOYSA-N 293.164 2.956 10 40 CFCB CCO/C(C)=C1\C(=O)N(c2nc3ccccc3[nH]2)N=C1C 13768524 CSMKFQXCAANAEG-RAXLEYEMSA-N 284.319 2.596 10 40 CFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1 58884110 UZFORVFJSZPTFT-UVTDQMKNSA-N 285.343 2.768 10 40 CFCB c1ccn(-c2ccc(-c3noc(-c4cnccn4)n3)cc2)c1 1423383 AZONVHHDGLTCLP-UHFFFAOYSA-N 289.298 2.984 10 40 CFCB O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1 8994413 PUFGUJNNRRPJAO-UHFFFAOYSA-N 282.255 2.536 10 40 CFCB O=S(=O)(O)c1ccc(/N=N\c2ccc(O)cc2O)cc1 35799632 MHKGJUOEEHNBLE-YPKPFQOOSA-N 294.288 2.760 10 40 CFCB endogenous,in-man COc1ccc(OC)c(C(=O)C(=O)c2ccccc2)c1 95115801 IJUXAOWQSYOXLW-UHFFFAOYSA-N 270.284 2.769 10 40 CFCB N=C1NN2[C@H]([CH]S[C@@H]2c2cc(Cl)ccc2O)S1 409416314 OUOBGRGRULHCBV-DTWKUNHWSA-N 286.789 2.767 10 40 CFCB COc1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 45886287 KJFORUJKJORPJL-UHFFFAOYSA-N 250.298 2.840 10 40 CFCB Oc1ccc([C@@H]2Nc3ccccc3C3=NCCCN32)cc1O 12144192 CSTXMSUVCFSLSM-MRXNPFEDSA-N 295.342 2.674 10 40 CFCB Nc1ccc(SCC(=O)c2ccc(O)c(O)c2)cc1 6548114 QBTGHQAGFVKOBL-UHFFFAOYSA-N 275.329 2.655 10 40 CFCB COC(=O)c1cc(C)n(-c2ccc(OC)cc2OC)c1C 223713509 KLOLNYLKIQQVGH-UHFFFAOYSA-N 289.331 2.898 10 40 CFCB CN(Cc1ccccc1O)C(=O)c1ccc(N(C)C)cc1 36390824 HFVPDGBMHMGQBL-UHFFFAOYSA-N 284.359 2.730 10 40 CFCB COc1ccc(CNCc2cccc(OC)c2O)cc1 4715519 UGWRONXZBTXQLN-UHFFFAOYSA-N 273.332 2.699 10 40 CFCB COC(=O)c1ccc(C)c(-n2c(C)cc(CO)c2C)c1 8701673 VBHXTDBSWQXHIO-UHFFFAOYSA-N 273.332 2.681 10 40 CFCB Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O 4792024 AWACQBFBMROGQC-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB in-vivo CCOc1cccc([C@H]2NC(=O)c3ccccc3N2C)c1O 9118092 KZYSKNVVCKFZHZ-INIZCTEOSA-N 298.342 2.669 10 40 CFCB Cc1cccc2c1N[C@H](c1ccc(N(C)C)cc1)NC2=O 28923464 CMJONXJPQWDEKK-INIZCTEOSA-N 281.359 2.915 10 40 CFCB Cc1cc(N2CCCC2)nc(Cc2ccc(N)cc2)n1 226104472 PPZWAZDLZBUGRT-UHFFFAOYSA-N 268.364 2.558 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(O)cc1 12586838 QGFIQSBGUAYOSQ-RAXLEYEMSA-N 288.372 2.848 10 40 CFCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2C)ccc1F 41091243 ZSGQFBLXYJXSHY-UHFFFAOYSA-N 295.335 2.949 10 40 CFCB CSc1ccc(O)c2c1C(=O)c1ccccc1C2=O 15080131 QJXCQKVGEOMXNP-UHFFFAOYSA-N 270.309 2.890 10 40 CFCB COc1ccc(C2=NN[C@H](c3ccccc3O)C2)cc1OC 72332564 VMGDLRHVBDXJSL-AWEZNQCLSA-N 298.342 2.848 10 40 CFCB CC(C)N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 36613137 SKZNVTSRBGEYMJ-WDZFZDKYSA-N 295.385 2.707 10 40 CFCB COc1ccc(O)c(C2=NN[C@H](c3ccccc3F)C2)c1 539436 FTNCYYBOELDHNQ-AWEZNQCLSA-N 286.306 2.979 10 40 CFCB Oc1cc2c(cc1O)[C@H](Cc1ccccc1)NCC2 4724966 GGGSEBXTKMTNBW-AWEZNQCLSA-N 255.317 2.527 10 40 CFCB CCOc1cccc(C(=O)Nc2ccc(N)cc2)c1 19736677 KJCFRPJKHDKEQS-UHFFFAOYSA-N 256.305 2.920 10 40 CFCB COc1cccc(NC(=O)CCc2ccc(N)cc2)c1 20186765 GWHXFRHWJJUCDO-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CC3)ccc21 4179193 ICYOXUITIOMCGZ-UHFFFAOYSA-N 291.306 2.811 10 40 CFCB Nc1ccc2c(c1)C(=O)c1cccc(Cl)c1C2=O 226794680 KTIHFIVYOKYXCX-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB CC[C@H](C)NC(=O)C1CCN(Cc2ccccc2O)CC1 6500168 YLFYDBCHMRQZHF-ZDUSSCGKSA-N 290.407 2.519 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1233035 WGFBRILVZFLUSL-XFXZXTDPSA-N 292.429 2.974 10 40 CFCB Cc1cc(O)c(CN2CCC([C@H](C)O)CC2)cc1C 95400111 CZGRBULMLIFGDF-ZDUSSCGKSA-N 263.381 2.602 10 40 CFCB COc1ccc([C@@H]2Oc3ccccc3C(=O)C2=O)cc1 218571659 XNOITWUHMSDBAL-INIZCTEOSA-N 268.268 2.581 10 40 CFCB Cc1ccc([C@H]2O[C@@]2(C(=O)C=[N+]=[N-])c2ccccc2)cc1 5568089 ZVOZVRJWLRUPSR-IAGOWNOFSA-N 278.311 2.832 10 40 CFCB CCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 549086 BPIJLIKCROOPFL-UHFFFAOYSA-N 290.344 2.574 10 40 CFCB Cc1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1C 7074606 BJWBUWCLLXTPTM-UHFFFAOYSA-N 297.402 2.726 10 40 CFCB Oc1ccc2ccccc2c1CN1CCC(O)CC1 9995929 ZEYYVUSRAMNEDR-UHFFFAOYSA-N 257.333 2.502 10 40 CFCB O=C1N=C(N2CCCC2)S/C1=C\c1cccc(F)c1 48512931 IDNZNRNDPKLYFO-XFXZXTDPSA-N 276.336 2.892 10 40 CFCB CN(C)c1ccc([C@H](CN)N2CCc3ccccc32)cc1 22223799 XQCDZEWIWQFYKM-SFHVURJKSA-N 281.403 2.815 10 40 CFCB CC1(C)Cc2cc(/C=C3/SC(=S)NC3=O)ccc2O1 10299381 VEXWYDYNVTYSRC-IZZDOVSWSA-N 291.397 2.889 10 40 CFCB CC[C@](O)(CN=[N+]=[N-])[C@H]1CCCN1C(=O)OC(C)(C)C 72207980 FIHUPWPFBYYCQP-MFKMUULPSA-N 284.360 2.837 10 40 CFCB CN(C)c1ccc(CNc2cc(C3CC3)nn2C)cc1 256053211 QNFLEKSNWZGLSU-UHFFFAOYSA-N 270.380 2.976 10 40 CFCB C[C@H]1C=CC[C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C(=O)[C@H]12 104214589 IHKNRAXIHBVWCX-HOTUBEGUSA-N 271.272 2.802 10 40 CFCB O=[N+]([O-])c1cccc(CNCc2ccccc2)c1O 1644062 QJTWEGNECFCKDX-UHFFFAOYSA-N 258.277 2.590 10 40 CFCB Oc1ccc(/N=N\c2n[nH]c(-c3cccnc3)n2)cc1 95116285 QNQFZSRRGHEMPJ-VLGSPTGOSA-N 266.264 2.988 10 40 CFCB Oc1ccc(Cl)cc1CNCC[C@H]1CCCO1 38095593 FGKVGYGPNNIJQS-GFCCVEGCSA-N 255.745 2.704 10 40 CFCB CN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 2566804 CPYVAMPSFBXPQA-UITAMQMPSA-N 285.777 2.877 10 40 CFCB Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 236110 ZEXMYNXHUJMAQE-UHFFFAOYSA-N 282.752 2.723 10 40 CFCB O=C(NCc1ccc(N2CCCCC2)cc1)Nc1cn[nH]c1 58193209 XDZJNLFHUZARDJ-UHFFFAOYSA-N 299.378 2.722 10 40 CFCB CN(C)c1cccc(CNCc2ccc3c(c2)CCO3)c1 78552631 FWHNSCAVYAOYKU-UHFFFAOYSA-N 282.387 2.977 10 40 CFCB CCN1C(=O)/C(=C/c2cccc(OC)c2O)SC1=S 1188587 BUQWCOUBSVBPCP-YFHOEESVSA-N 295.385 2.622 10 40 CFCB COc1ccc(N(C)CCCC(=O)O)cc1Cl 131441116 BKFPKNSPWHLNOU-UHFFFAOYSA-N 257.717 2.650 10 40 CFCB CCN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S 16905129 XTLXDTJVUKAPNV-JXMROGBWSA-N 293.369 2.606 10 40 CFCB O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1c1ccccc1F 17028645 URLUVPFUFFJKTD-NTMALXAHSA-N 299.261 2.661 10 40 CFCB Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1C 20302090 CXGBKSHABWEXCZ-UHFFFAOYSA-N 277.345 2.810 10 40 CFCB O=C1NC(=S)S/C1=C/c1cc2ccccc2[nH]1 114248742 LLOXLVIPXQGLRK-UXBLZVDNSA-N 260.343 2.657 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCC(C)C 103916177 OHCQFIKBTRCELD-QINSGFPZSA-N 271.364 2.929 10 40 CFCB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 19736365 YZTVVZDWLGDTKK-LBPRGKRZSA-N 270.332 2.983 10 40 CFCB Cc1ncsc1/C=C1\SC(N2CCCCC2)=NC1=O 78693064 SNTMZLPSEIZENN-XFFZJAGNSA-N 293.417 2.908 10 40 CFCB CCN1C(=O)/C(=C/N2C[C@@H](C)C[C@@H](C)C2)SC1=S 30814143 UMLBHQYGPBPWRY-IDIYWLFRSA-N 284.450 2.686 10 40 CFCB CN(CCCc1ccccc1)C(=O)c1cccc(O)c1O 192985764 BDWPZUUZMMWMHT-UHFFFAOYSA-N 285.343 2.803 10 40 CFCB CCn1cc(C)c(NCc2ccc(N(C)C)cc2)n1 256050840 GRTURIYXQXJPCS-UHFFFAOYSA-N 258.369 2.890 10 40 CFCB Nc1ccc(OC[C@H]2COc3cscc3O2)cc1 1857791579 PFAAKCSLBSAWNC-NSHDSACASA-N 263.318 2.549 10 40 CFCB O=[P@@H](O)[C@@H](NCc1ccccc1)c1ccccc1O 20518768 TZZIAOCMNWAYIC-CQSZACIVSA-N 277.260 2.648 10 40 CFCB COC(=O)c1ccc(-n2c(C)cc(CO)c2C)c(C)c1 8701675 HPYNMEXSAFAHLG-UHFFFAOYSA-N 273.332 2.681 10 40 CFCB Nc1ccc(/N=N/c2cccc(C(=O)O)c2)c(N)c1 102420078 IWVIGXQZUULLNP-WUKNDPDISA-N 256.265 2.965 10 40 CFCB CCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 41078301 FWRTUJVDWXYIPH-YEIVOSTPSA-N 297.314 2.536 10 40 CFCB CCN1C(=O)/C(=C\N2CCCCCC2)SC1=S 100120607 DFRHNVHQCUUQAZ-MDZDMXLPSA-N 270.423 2.584 10 40 CFCB CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S 2407211 BTUYWZKZEVCQCO-XFXZXTDPSA-N 290.413 2.771 10 40 CFCB aggregator COc1ccc(O)c(C2=NN[C@@H](c3ccc(F)cc3)C2)c1 32634054 HDJBEWRJORHURD-CQSZACIVSA-N 286.306 2.979 10 40 CFCB CN1CCC(N(C)Cc2cc(Cl)ccc2O)CC1 23281731 CJQDFRPOAMYCKL-UHFFFAOYSA-N 268.788 2.572 10 40 CFCB CN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC1=S 9310446 RXJYVJNYIACJRS-CRBCFSCISA-N 296.329 2.575 10 40 CFCB Cc1ccc(NC(=O)COc2ccc(N)cc2)c(C)c1 31895791 RMBLCVAVKZCTKY-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CC(=O)OCCC/C(=C/c1ccc(N(C)C)cc1)[N+](=O)[O-] 17421436 ZVWZKEKGFJNCNL-PTNGSMBKSA-N 292.335 2.714 10 40 CFCB COc1ccc2c(c1)C(C)=CC(C)(C)N2CC(=O)O 223824072 QEOFJEXWCVBJQP-UHFFFAOYSA-N 261.321 2.782 10 40 CFCB Cc1ccc(NC(=O)[C@@]23CC[C@H](C(=O)C2=O)C3(C)C)c(C)c1 100281918 RWFMODFYTWMMBT-KZULUSFZSA-N 299.370 2.816 10 40 CFCB C[C@@H](C(=O)O)C1(c2ccccc2)C(=O)c2ccccc2C1=O 5515547 URLGUCDTRRQRLX-NSHDSACASA-N 294.306 2.724 10 40 CFCB C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 24528579 XCFVTDQVGWUIRB-NSHDSACASA-N 279.380 2.616 10 40 CFCB CCN1C(=O)C(=C2C=C(C)OC(C)=C2)SC1=S 584906229 HHWWPZDXSBVCTF-UHFFFAOYSA-N 267.375 2.959 10 40 CFCB O=C(NCCCSc1nccs1)Nc1cccnc1 71908631 DRRRGLQSAGJURI-UHFFFAOYSA-N 294.405 2.842 10 40 CFCB O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccs1 73737 UBSQSQLJOBQCJF-UHFFFAOYSA-N 289.765 2.908 10 40 CFCB COCCN1C(=O)/C(=C/c2cccc(C)c2)SC1=S 9189381 VIEPTXMIUPAUDS-XFXZXTDPSA-N 293.413 2.843 10 40 CFCB O=S(=O)(O)c1ccc(/N=N/N2CCCCCC2)cc1 1789145 MJOBQUQDNFRILP-BUHFOSPRSA-N 283.353 2.808 10 40 CFCB CCn1c(C)cc([C@H]2NCCc3cc(O)c(O)cc32)c1C 4393405 JDVHYXKYCQQPDO-QGZVFWFLSA-N 286.375 2.771 10 40 CFCB CN(C)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 9155923 DMJIYFIHGWDRPB-UHFFFAOYSA-N 290.313 2.961 10 40 CFCB Oc1ccc2c(c1)OCC(Cc1ccc(O)c(O)c1)=C2 77031588 HPLBTDJMPUFEPF-UHFFFAOYSA-N 270.284 2.822 10 40 CFCB biogenic,in-vitro O=C1NN=C(C(F)(F)F)/C1=C/Nc1cccc(Cl)c1 100408771 SCOYFXPAXRIHLR-YVMONPNESA-N 289.644 2.684 10 40 CFCB CC[C@H](C(=O)O)N(C)c1ccc(OC)c(Cl)c1 225002639 WWAYSXDGLJQYJR-SNVBAGLBSA-N 257.717 2.648 10 40 CFCB NC1=NC(=O)/C(=C\c2csc(-c3ccccc3)n2)S1 9389865 KMVDVXDZTFYIBH-UXBLZVDNSA-N 287.369 2.739 10 40 CFCB C[C@@H](CCc1cccn1C)NCc1ccccc1O 95961939 FAGOAOSEJLIRFM-ZDUSSCGKSA-N 258.365 2.842 10 40 CFCB C[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1O 20124376 CFHSVPVWWDEVBW-NSHDSACASA-N 271.316 2.972 10 40 CFCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1 4649357 GIRCTRDQRLZOGJ-UHFFFAOYSA-N 296.278 2.574 10 40 CFCB C[C@H](NCc1ccccc1O)c1ccc(-n2cncn2)cc1 69563931 HTHCXNQTTZSMPG-ZDUSSCGKSA-N 294.358 2.824 10 40 CFCB CCc1noc(CN2CCCc3cc(OC)ccc32)n1 24751758 SSBIVRAOJMBGRW-UHFFFAOYSA-N 273.336 2.593 10 40 CFCB CC1CCN(C2=NC(=O)/C(=C/c3ccco3)S2)CC1 9188867 YCQGGUQKIXATKS-XFXZXTDPSA-N 276.361 2.982 10 40 CFCB N=C(N)c1ccc(/N=N\c2ccc(N)cc2N)cc1 104245210 ACTOCTBCWSQKNV-HNENSFHCSA-N 254.297 2.550 10 40 CFCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1C1CCCCC1 408741830 SDYNSSAOYPJXIR-ZROIWOOFSA-N 287.363 2.790 10 40 CFCB NCc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 20265985 AWALVSXRYDZKIP-UHFFFAOYSA-N 299.393 2.607 10 40 CFCB CSc1ccc2c(c1N)C(=O)c1ccccc1C2=O 3845261 YHWKPNPSKYTBLG-UHFFFAOYSA-N 269.325 2.766 10 40 CFCB biogenic O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12 39319 JHGZYXRWZXMYBZ-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic O=C1NC(=S)S/C1=C/C=C\c1ccccc1[N+](=O)[O-] 6097531 YJHOWNVOZSVMOV-ZMSZASLQSA-N 292.341 2.640 10 40 CFCB Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 40447813 ZQRVRZOKYHSJDM-UHFFFAOYSA-N 255.199 2.870 10 40 CFCB in-vitro COc1cccc(-c2nc(COc3ccc(N)cc3)n[nH]2)c1 62719580 GMRLTEOSVVBYPS-UHFFFAOYSA-N 296.330 2.642 10 40 CFCB Cn1cccc1/C=C1\N=C(c2ccccc2F)OC1=O 48361765 NBMQDIUBRWEVID-LCYFTJDESA-N 270.263 2.509 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)NC2=NCCS2)cc1 15566243 FQWILXOQPYRECH-UHFFFAOYSA-N 299.399 2.927 10 40 CFCB CCCCCCC(=O)C(=O)c1ccc(O)cc1O 1563303 RYFGUWCCZZKORS-UHFFFAOYSA-N 250.294 2.820 10 40 CFCB O=C1NC(=S)S/C1=C\c1cc2c(cc1Cl)OCO2 13476301 NDPYXMPIFRXUKK-MBXJOHMKSA-N 299.760 2.558 10 40 CFCB in-vitro CN(C)c1ccc(CNC(=O)C2CCCCC2)cc1 7910074 NNQMQZQTOPTHOC-UHFFFAOYSA-N 260.381 2.949 10 40 CFCB CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1 95456813 ZNURZNHKEARDNC-CMDGGOBGSA-N 268.316 2.854 10 40 CFCB CCc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C[C@@H](C)N2 95478424 UDMSODARFLMUBH-BXUZGUMPSA-N 285.395 2.700 10 40 CFCB CCN1C(=O)/C(=C/N2C[C@H](C)C[C@@H](C)C2)SC1=S 4302112 UMLBHQYGPBPWRY-VXNGBHNKSA-N 284.450 2.686 10 40 CFCB COc1ccc(C(=O)O)cc1-n1c(C)cc(C=O)c1C 223718510 FXBZRMKUGPGOOZ-UHFFFAOYSA-N 273.288 2.613 10 40 CFCB NN[C@H](c1ccccc1)c1cc(Br)ccc1O 199534418 VDTKWEYBSQSJPK-CYBMUJFWSA-N 293.164 2.707 10 40 CFCB Cc1cc(C(C)(C)C)cc(CN2CCOCC2)c1O 89587295 DLWPAHUAPHLXOH-UHFFFAOYSA-N 263.381 2.830 10 40 CFCB CCN(CC)c1ccc(/C=C\C(N)=O)cc1Br 361634184 LJKGOIIJKSGNSR-VURMDHGXSA-N 297.196 2.794 10 40 CFCB COc1ccc2c(Cc3ccc(O)c(O)c3)cncc2c1O 3847299 ICFUOGJOCUAHTN-UHFFFAOYSA-N 297.310 2.951 10 40 CFCB biogenic COC(=O)c1ccc(NCc2ccccc2O)cc1 37307623 CFIZWJSEBWCMCT-UHFFFAOYSA-N 257.289 2.791 10 40 CFCB COc1cc(Oc2ccc(N)cc2)ccc1[N+](=O)[O-] 1440521 SVFXKINMTVUYOW-UHFFFAOYSA-N 260.249 2.978 10 40 CFCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1cccs1 170222 FECKISSHICTLPU-UHFFFAOYSA-N 286.308 2.930 10 40 CFCB COCCCN1C(=O)/C(=C\c2ccco2)SC1=S 4509087 JHVSMJDXAMDYQU-CSKARUKUSA-N 283.374 2.517 10 40 CFCB Cc1ccc(N/C=C2\SC(=S)N(C)C2=O)cc1 101937202 BEPJRBYEIDAIND-YFHOEESVSA-N 264.375 2.738 10 40 CFCB COc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 12543717 PDGSPPIWMDJILO-UHFFFAOYSA-N 284.359 2.691 10 40 CFCB CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1061603 YNQBKTWOKFTVNR-WDZFZDKYSA-N 274.370 2.999 10 40 CFCB O=C1NC(=S)S/C1=C\c1ccc(Cl)cc1 12590430 HIWUQEXWRIIIKB-YVMONPNESA-N 255.751 2.829 10 40 CFCB in-vitro CC1=C(C)C[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]2C1 104154053 BGLKSSVALIQOIC-AOOOYVTPSA-N 272.300 2.839 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccs1 87825 ZRTTUBQVQIRBIN-UHFFFAOYSA-N 278.329 2.892 10 40 CFCB COC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 93836 PMJBYDBDJMOHHU-UHFFFAOYSA-N 290.266 2.992 10 40 CFCB CCN1C(=O)/C(=C/c2cccn2CC)SC1=S 409375013 DCXAUFLOGMNWHZ-NTMALXAHSA-N 266.391 2.729 10 40 CFCB O=C1N=C(N2CCCC2)S/C1=C/c1ccccc1 63394 NCOCAGRFFOZEMD-ZRDIBKRKSA-N 258.346 2.753 10 40 CFCB CCc1cccc(CC)c1/N=N/c1c(N)nc(N)nc1O 16952160 PQPYKLBMYWKKBS-FMQUCBEESA-N 286.339 2.887 10 40 CFCB O=C(c1cc(O)cs1)N1CC[C@H](Oc2ccccc2)C1 101140498 RKFGEHSUMOWOHO-ZDUSSCGKSA-N 289.356 2.747 10 40 CFCB Cc1noc(C)c1/C=C/C(=O)N1CCc2ccccc21 8718532 SWSVGYQERKOORK-BQYQJAHWSA-N 268.316 2.894 10 40 CFCB COC(=O)c1cc2ccccc2c(CN2CCCC2)c1O 8061789 VSHPWKMZWHLUDE-UHFFFAOYSA-N 285.343 2.928 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]12 12138206 JCIUGLPPPINZFD-JTNHKYCSSA-N 288.303 2.612 10 40 CFCB CC[C@H](NC(=O)/C=C/c1ccnn1CC)c1ccccc1O 95445923 MBRZFFNCTTXPGL-FEAKQIBJSA-N 299.374 2.889 10 40 CFCB CCOc1ccc(NC(=S)NCc2ccccn2)cc1 7526121 KHCVUPUFQRAIHE-UHFFFAOYSA-N 287.388 2.967 10 40 CFCB c1cnc(NCCCSc2nccs2)nc1 69739289 INVNDEKFBSDGOG-UHFFFAOYSA-N 252.368 2.527 10 40 CFCB Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@H]1CC2 26746094 BGOQGUHWXBGXJW-YOEHRIQHSA-N 267.328 2.648 10 40 CFCB investigational COc1cccc([C@@H]2Oc3ccccc3C(=O)C2=O)c1OC 604250682 SAPKZXLOBODVAB-KRWDZBQOSA-N 298.294 2.589 10 40 CFCB COCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 223964419 WRHRXOUFSNIWFP-CQSZACIVSA-N 290.407 2.747 10 40 CFCB COCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 224006101 VQMOYHJRDDBSAH-ZIAGYGMSSA-N 290.407 2.747 10 40 CFCB CC[C@@H](C(=O)O)N(C)c1ccc(OC)c(Cl)c1 225002600 WWAYSXDGLJQYJR-JTQLQIEISA-N 257.717 2.648 10 40 CFCB CNc1c(S)ccc2c1C(=O)c1ccccc1C2=O 78550166 VPMNFXJHOUGLOM-UHFFFAOYSA-N 269.325 2.792 10 40 CFCB O=Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O 3844572 SMJCKISQWJHOEZ-UHFFFAOYSA-N 281.223 2.558 10 40 CFCB biogenic O=C(NCCc1ccc(O)c(O)c1)c1coc2ccccc12 95446620 BENQJJJYFKEHNF-UHFFFAOYSA-N 297.310 2.817 10 40 CFCB C[Si](C)(C)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 195752736 DXODXFNQPWUAKY-UHFFFAOYSA-N 296.398 2.713 10 40 CFCB Cc1nn(C)c(C)c1/C=C1/C(=O)N(C)c2ccccc21 3333654 UGGKQUHEVZPIJP-NTEUORMPSA-N 267.332 2.554 10 40 CFCB Cc1ccccc1N1CCN(c2ccc(N)cc2)CC1 16124006 QMRXGABSCRIFIU-UHFFFAOYSA-N 267.376 2.904 10 40 CFCB CN(Cc1cc2c(cc1O)OCO2)C1CCCCC1 9883809 HCJBVCMCCSPLBC-UHFFFAOYSA-N 263.337 2.885 10 40 CFCB Cc1ccsc1[C@H]1NCCc2cc(O)c(O)cc21 3703031 ITARWYYVLNICRL-ZDUSSCGKSA-N 261.346 2.703 10 40 CFCB CN(C)c1ccc(-c2nc3ccc(N)cc3[nH]2)cc1 5686953 MYBHZNWJSKGXNY-UHFFFAOYSA-N 252.321 2.878 10 40 CFCB Cc1nc(N)sc1/N=N/c1ccc(S(=O)(=O)O)cc1 4088001 UEMCDCOZRIFVJH-BUHFOSPRSA-N 298.349 2.696 10 40 CFCB CCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 16183395 INDPTCICHMDIBP-UHFFFAOYSA-N 280.279 2.639 10 40 CFCB CSC1=N[C@@](C)(c2ccc(O)cc2O)CC(C)(C)N1 33342 QIRYTGXNZFLQTI-CQSZACIVSA-N 280.393 2.804 10 40 CFCB COC(=O)c1cccc(-n2c(C)cc(CO)c2C)c1C 8701627 JVJAAVGLKCCMEO-UHFFFAOYSA-N 273.332 2.681 10 40 CFCB CCc1cccc(CC)c1/N=N\c1c(N)nc(N)nc1O 104125345 PQPYKLBMYWKKBS-VXPUYCOJSA-N 286.339 2.887 10 40 CFCB CCCN/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C 6755893 BNHPMIZPIOCOLB-UKTHLTGXSA-N 277.755 2.946 10 40 CFCB CCc1noc(C)c1C(=O)NCc1ccc(N(C)C)cc1 8172058 XTHPBBRUEIKFPO-UHFFFAOYSA-N 287.363 2.541 10 40 CFCB COc1ccc([C@@H]2COc3c(ccc(O)c3O)C2)cc1 1611947 DMKTUGNUTHQWNI-LBPRGKRZSA-N 272.300 2.825 10 40 CFCB Nc1ccc(OC[C@@H]2CCCN3CCCC[C@@H]23)cc1 115051645 TZQRDGBYUMWAIM-BBRMVZONSA-N 260.381 2.912 10 40 CFCB Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 19257000 RGHPZWWKTGVVPG-UHFFFAOYSA-N 266.344 2.791 10 40 CFCB CCOC(=O)c1sc2ncc3c(c2c1N)CCCC3 5393416 LYBZTBSZXAGXSB-UHFFFAOYSA-N 276.361 2.934 10 40 CFCB CN(C)/N=N\c1ccccc1I 104150962 VNMWUXQJDRUOFI-KHPPLWFESA-N 275.093 2.852 10 40 CFCB Cc1cc(C)nc(NNC(=S)Nc2ccccc2C)n1 3257353 WCZZPFOXGDITTH-UHFFFAOYSA-N 287.392 2.715 10 40 CFCB COc1ccc(CC2C(=O)c3ccccc3C2=O)cc1 100227265 HCTCMZQMGTXKSV-UHFFFAOYSA-N 266.296 2.933 10 40 CFCB CN(C)c1ccc(CNC(=O)c2ccccc2)cc1 7910084 CNVMBUWTFWTDAW-UHFFFAOYSA-N 254.333 2.683 10 40 CFCB CC(C)(C)NC(=O)C1CCN(Cc2ccccc2O)CC1 199426867 GTCDRALIKDJZBZ-UHFFFAOYSA-N 290.407 2.519 10 40 CFCB CC1=NNC(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 100151352 CAPKWUCYJBKHRO-UXBLZVDNSA-N 269.226 2.507 10 40 CFCB COC(=O)CNc1c2ccccc2nc2ccccc12 4371733 SPYOPVUVBPZJQG-UHFFFAOYSA-N 266.300 2.973 10 40 CFCB CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S 409346549 NCAHMWZATYRKEX-UITAMQMPSA-N 285.777 2.877 10 40 CFCB O=C(CNCCCc1ccccc1)c1ccc(O)c(O)c1 40791371 CMUGHTFXRUONSU-UHFFFAOYSA-N 285.343 2.503 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 1889006679 OMXYJYBFTSNPPT-MRVPVSSYSA-N 266.251 2.624 10 40 CFCB Cc1ncc(CN(C)Cc2cc3c(cc2O)OCO3)s1 40555913 SLHBLUFCIKPGGI-UHFFFAOYSA-N 292.360 2.518 10 40 CFCB CC1=NN=C(c2ccccc2)[C@@H](c2ccc(O)cc2O)N1O 1418865 MOLAUNODIAKMBF-MRXNPFEDSA-N 297.314 2.666 10 40 CFCB C[C@@H](Cc1cccs1)N(C)C(=O)Cc1ccc(N)cc1 93266139 IDEOALZCFJEDJK-LBPRGKRZSA-N 288.416 2.962 10 40 CFCB CC(=O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 408719138 JSEMMRZPLCCONX-UXBLZVDNSA-N 281.333 2.573 10 40 CFCB COC[C@@H](C)c1nc(-c2ccc(O)c(O)c2)cs1 58378486 YCSYGSLWTNORBW-MRVPVSSYSA-N 265.334 2.971 10 40 CFCB CCOC(=O)[C@@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 89983558 PQSUZUHWZAFUED-CQSZACIVSA-N 291.391 2.784 10 40 CFCB COc1ccc(-n2c(C)cc(CN)c2C)c(OC)c1 34936146 CRUHYPXQAWUQTI-UHFFFAOYSA-N 260.337 2.570 10 40 CFCB CC[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCO1 27537821 ITEKRGHJHCTCAE-CYBMUJFWSA-N 272.348 2.551 10 40 CFCB COc1ccc(N2CCN(Cc3ccccc3)CC2)c(N)c1 256052124 LZPQEPDCIROFOO-UHFFFAOYSA-N 297.402 2.600 10 40 CFCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Cl 32109809 VEBASGXAFMQOLL-RAXLEYEMSA-N 298.729 2.801 10 40 CFCB Cc1ccc2nc(N3C(=O)CSC3=S)sc2c1 1766643 JOCLFNGFUXVULE-UHFFFAOYSA-N 280.399 2.969 10 40 CFCB COC(=O)c1sc(OCC(F)(F)F)c(Cl)c1O 96510983 VNUMIYBDVAJAGC-UHFFFAOYSA-N 290.646 2.835 10 40 CFCB CSc1nc(O)c(/N=N/c2ccc(F)cc2F)c(=O)[nH]1 17752195 WARCUVVJOPINGX-WUKNDPDISA-N 298.274 2.891 10 40 CFCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C)c1O 15249289 YMMOVOFQZGHWNH-HNNXBMFYSA-N 284.315 2.597 10 40 CFCB O=C1C[C@H](c2ccccc2)Oc2c1ccc(O)c2O 2573892 OXEDXEXEXGPMOG-CYBMUJFWSA-N 256.257 2.804 10 40 CFCB biogenic,in-vitro COc1cccc(CNc2ccc(NC(C)=O)cc2)c1O 19885859 LARDZKQMGNLDPB-UHFFFAOYSA-N 286.331 2.971 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 1889045511 XUMFIRKMIQVWGO-VIFPVBQESA-N 264.716 2.999 10 40 CFCB CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]12 12404108 SUGWMTABQUGZKF-PUYPPJJSSA-N 288.303 2.612 10 40 CFCB CCOc1cccc([C@H]2NC(=O)c3ccccc3N2)c1O 9741113 XEVPWVARFVCMNW-OAHLLOKOSA-N 284.315 2.645 10 40 CFCB Cc1cc(CN2CCOCC2)c(O)c(C(C)(C)C)c1 58584259 UKKOIGCKOWRKMP-UHFFFAOYSA-N 263.381 2.830 10 40 CFCB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O 7616076 YEUOAHVIBOUYJQ-CYBMUJFWSA-N 270.288 2.683 10 40 CFCB Oc1ccc(Cl)cc1C1=NN[C@@H](c2cccnc2)C1 529495 SVETYCVPJQIWFK-GFCCVEGCSA-N 273.723 2.879 10 40 CFCB Oc1ccc2oc3c(c2c1CN1CCOCC1)CCCC3 32855934 WGQRQNIGMSPTJH-UHFFFAOYSA-N 287.359 2.849 10 40 CFCB COc1ccc(-c2noc(Cc3ccc(N)cc3)n2)cc1 35660424 HLCGXIFWEZVLCS-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB COc1ccc(O)c([C@@H](C)NC(=O)C2=CCCC2)c1 96485659 SGVVXKLUMWROOU-SNVBAGLBSA-N 261.321 2.688 10 40 CFCB Cc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)s1 208687769 BZMXDVWVZHZVNW-LCYFTJDESA-N 284.340 2.518 10 40 CFCB Oc1ccccc1CNCc1ccc(N2CCCC2)nc1 58158260 XNYPKAOXTLYNTI-UHFFFAOYSA-N 283.375 2.677 10 40 CFCB COc1ccc(C)cc1NC(=O)Cc1ccc(N)cc1 19263713 KSEAVBQJCPZKNA-UHFFFAOYSA-N 270.332 2.767 10 40 CFCB Cc1cccc(C(=O)NC(=S)Nc2ccc(N)cc2)c1 168242854 PIALQAKVUARPEG-UHFFFAOYSA-N 285.372 2.704 10 40 CFCB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N)cc2)c1 3268478 AFMXMJFXCFMOSX-UHFFFAOYSA-N 276.361 2.686 10 40 CFCB COc1cccc(/C(C)=C2/SC(=S)NC2=O)c1 17146162 OMWPBMOIAWYRIM-JXMROGBWSA-N 265.359 2.574 10 40 CFCB CCCN1C(=O)/C(=C\c2ccncc2)SC1=S 5694930 QXAZOMDGGRSJGD-CSKARUKUSA-N 264.375 2.693 10 40 CFCB O=C(NCc1c(O)ccc2ccccc12)c1cccnc1 39379108 OTJFMLZNPAIGLI-UHFFFAOYSA-N 278.311 2.870 10 40 CFCB CCCN/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 100040890 XCBXXROJEDWVFW-GXDHUFHOSA-N 257.337 2.601 10 40 CFCB CCOC(=O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 12138204 SUGWMTABQUGZKF-GLXFQSAKSA-N 288.303 2.612 10 40 CFCB COc1ccc(/C=C/C=C2/SC(=S)NC2=O)cc1 1210131 DZJNBSVRWKLBRF-TTWWKFCBSA-N 277.370 2.740 10 40 CFCB CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)CN=[N+]=[N-])C1 72208053 IUWOUMBNTXVCQP-GXFFZTMASA-N 284.360 2.695 10 40 CFCB Cc1n[nH]c(=S)n1NCc1ccc(N2CCCC2)cc1 8416692 UBCAKBJLGQMPHN-UHFFFAOYSA-N 289.408 2.593 10 40 CFCB O=C1N[C@H](c2ccc(O)c(O)c2)Nc2cc(Cl)ccc21 48310806 BAURGORJYYQABT-CYBMUJFWSA-N 290.706 2.605 10 40 CFCB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)c1 19261129 WDBXTEZOODZMES-LBPRGKRZSA-N 270.332 2.983 10 40 CFCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccccn1 409248727 IFUUCQJRPURQAM-XYOKQWHBSA-N 299.355 2.813 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1O 16160933 VLADJACLYYKGII-DHDCSXOGSA-N 294.310 2.904 10 40 CFCB Cc1ccsc1[C@@H]1NCCc2cc(O)c(O)cc21 3703030 ITARWYYVLNICRL-CYBMUJFWSA-N 261.346 2.703 10 40 CFCB Cc1ccc(NC(=O)[C@]23CC[C@@H](C(=O)C2=O)C3(C)C)c(C)c1 100281920 RWFMODFYTWMMBT-SGTLLEGYSA-N 299.370 2.816 10 40 CFCB Cc1cccc(N2CCN(Cc3ccc(N)cc3)CC2)c1 19386994 KHQHXBNAKCNBCB-UHFFFAOYSA-N 281.403 2.899 10 40 CFCB in-vitro O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 438611 SKSMGGZDZVNZLE-NJKRNUQASA-N 290.322 2.704 10 40 CFCB O=[P@@H](O)[C@H](NCc1ccccc1)c1ccccc1O 20518771 TZZIAOCMNWAYIC-AWEZNQCLSA-N 277.260 2.648 10 40 CFCB O=C1c2ccccc2C(=O)C12O[C@@H]2c1ccccc1 349854 DXBPSHSLDUYBJI-OAHLLOKOSA-N 250.253 2.576 10 40 CFCB C[C@H]1CCC[C@H](OCC(=O)NCc2ccccc2O)C1 71903213 RQFRZZHIQAYTNC-JSGCOSHPSA-N 277.364 2.604 10 40 CFCB CC1=C/C(=C\c2ccc(Br)o2)C(=O)O1 4712216 MDNPWZAMXKTAQO-FNORWQNLSA-N 255.067 2.886 10 40 CFCB CN/C=C(/OCc1ccccc1)c1ccc(O)c(O)c1 8655885 UOWCXJSQSYQWSP-MHWRWJLKSA-N 271.316 2.832 10 40 CFCB COC(=O)c1sc(OC(C)C)c(Br)c1O 96511003 YABUZCLEUNFZOZ-UHFFFAOYSA-N 295.154 2.790 10 40 CFCB CN(C)/C=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O 52525174 BRXNFBXZMAJSSI-MDZDMXLPSA-N 277.323 2.994 10 40 CFCB Cc1ccn2cc(C(=O)N(C)Cc3ccccc3O)nc2c1 42117175 UKLDFLAFVKDEAC-UHFFFAOYSA-N 295.342 2.621 10 40 CFCB [N-]=[N+]=CC(=O)[C@]1(c2ccccc2)O[C@H]1c1ccccc1 5568088 NOPIJYBBZPUPHE-HOTGVXAUSA-N 264.284 2.523 10 40 CFCB O=C(/C=C/c1cccnc1)N1CCOc2ccccc21 36838011 OXBNMVSAVNKKLY-BQYQJAHWSA-N 266.300 2.520 10 40 CFCB Nc1ccc(Cc2nc(COc3ccccc3)no2)cc1 54436033 CSOYYXCASBZHER-UHFFFAOYSA-N 281.315 2.822 10 40 CFCB CCCCS(=O)(=O)N[C@@H](CC)c1ccccc1O 96417501 QFIHMTFANRHEPR-LBPRGKRZSA-N 271.382 2.563 10 40 CFCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccccc1)CCC3 103674937 YYBGAFLEVZCTAX-VHEBQXMUSA-N 294.318 2.509 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 1889014777 HPPKTDNCTQXDIZ-SNVBAGLBSA-N 264.716 2.999 10 40 CFCB CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1251594 ZDJMIUOIMMBUQG-TWGQIWQCSA-N 253.323 2.657 10 40 CFCB CCOC(=O)C1CCN(Cc2c(C)cc(C)cc2O)CC1 6594720 KCYLQZXXVAINKU-UHFFFAOYSA-N 291.391 2.784 10 40 CFCB Cc1cc(N2CCCC2)c(F)cc1CN1CC[C@H](CO)C1 12147831 JAWARLOOLMLEGO-AWEZNQCLSA-N 292.398 2.549 10 40 CFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(F)cc1 58866146 QMTRAFVBVPMWMP-UHFFFAOYSA-N 276.263 2.579 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1 4501794 GJPRDOJRFKBDIA-UHFFFAOYSA-N 272.300 2.830 10 40 CFCB O=[N+]([O-])c1ccc(O)c(CNC(C2CC2)C2CC2)c1 89773130 FFRMTKOKJXRJKQ-UHFFFAOYSA-N 262.309 2.579 10 40 CFCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1C1CC1 7885934 HDEJDHUJPCDKRC-MRXNPFEDSA-N 296.326 2.827 10 40 CFCB Cn1c(-c2ccc(-n3cccc3)cc2)n[nH]c1=S 228973245 BSBMSCUJTADKBT-UHFFFAOYSA-N 256.334 2.935 10 40 CFCB COc1cc(C2=NN3C(=O)c4ccccc4[C@H]3C2)ccc1O 1554502655 WYZGVHVNYZTTRW-CQSZACIVSA-N 294.310 2.706 10 40 CFCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1Cl 2792997 JSJMNBDNTTVODT-UITAMQMPSA-N 285.777 2.837 10 40 CFCB CCN1/C(=C2\OC(=S)N(C)C2=O)C=Cc2ccccc21 285368 MVZSPWRLLAHZIO-SEYXRHQNSA-N 286.356 2.525 10 40 CFCB C[C@@H]([C@@H](C)NCc1ccc2c(c1)CCO2)n1cccn1 69418480 FBJQAANNVUPZEF-OLZOCXBDSA-N 271.364 2.557 10 40 CFCB COc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 3547539 LLSAWDKDTBCCSO-UHFFFAOYSA-N 296.370 2.658 10 40 CFCB CCN1C(=O)/C(=C/NCCc2ccccc2)SC1=S 101087727 ABNPPWPAZZSZIU-BENRWUELSA-N 292.429 2.540 10 40 CFCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C2CC2)on1 28495367 DKBLOGJVINJCBM-UHFFFAOYSA-N 299.374 2.890 10 40 CFCB CCN1C(=O)/C(=C\N(C)c2ccccc2)SC1=S 28616353 VUSQFRMMCHVIHP-PKNBQFBNSA-N 278.402 2.844 10 40 CFCB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2CC(=O)O 223827785 OWEXNVFTEQXGJO-SNVBAGLBSA-N 263.337 2.872 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccco1 2479660 MMKZLNXSJAGPGT-PKNBQFBNSA-N 262.334 2.736 10 40 CFCB CN(C)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 15134390 BBLFFDWVWCFMEN-UHFFFAOYSA-N 286.350 2.751 10 40 CFCB [N-]=[N+]=CC(=O)[C@@]1(c2ccccc2)O[C@@H]1c1ccccc1 5568083 NOPIJYBBZPUPHE-HZPDHXFCSA-N 264.284 2.523 10 40 CFCB COc1ccc(C(=O)Nc2ccc(N)cc2)cc1OC 20327100 UNCHKOLWTXMPSV-UHFFFAOYSA-N 272.304 2.538 10 40 CFCB CC1=CN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 4694965 AGHGSKGYLQUHPJ-ZRJWAERUSA-N 285.328 2.559 10 40 CFCB O=C(O)c1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 5934722 DHDYWKZMHZPMFZ-UHFFFAOYSA-N 286.670 2.814 10 40 CFCB [N-]=[N+]=NCCCCCN1C(=O)c2ccccc2C1=O 217538305 VKDIHGHRTWHAJR-UHFFFAOYSA-N 258.281 2.763 10 40 CFCB CC1=C(C)C[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]2C1 17005645 BGLKSSVALIQOIC-UWVGGRQHSA-N 272.300 2.839 10 40 CFCB O=C(NCc1ccc(O)c(O)c1)C1CCC(F)(F)CC1 97048429 GBRSNULIRHNNLB-UHFFFAOYSA-N 285.290 2.540 10 40 CFCB Nc1cn(-c2c3ccccc3nc3ccccc23)nn1 218797654 FMVHDSGBQOTYQT-UHFFFAOYSA-N 261.288 2.551 10 40 CFCB COc1ccccc1-c1nnc(Cc2ccc(N)cc2)o1 19771866 KGHZOXHXPCTSMI-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1674589 JUNQOARPKFNFHS-UHFFFAOYSA-N 261.280 2.750 10 40 CFCB biogenic CC(C)(C)OC(=O)N1CCC([C@](C)(O)CN=[N+]=[N-])CC1 72208104 PWJDEFJISNWZFA-CYBMUJFWSA-N 284.360 2.695 10 40 CFCB CN(C)c1ccc(CNC(=O)c2cccs2)cc1 18215123 KENBXCJGMQAFQX-UHFFFAOYSA-N 260.362 2.744 10 40 CFCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1 4502138 CFQJXRSAFCYLEK-GDNBJRDFSA-N 296.301 2.596 10 40 CFCB CN(C(=O)c1cccc(O)c1O)[C@H]1CCc2ccccc21 192962780 RCOTVRIAVOIIAK-AWEZNQCLSA-N 283.327 2.857 10 40 CFCB COC(=O)c1sc(-n2ncc3ccccc32)cc1O 96510927 NIBCWVSPRBMECX-UHFFFAOYSA-N 274.301 2.579 10 40 CFCB CCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 6204419 SSFCVHPYHLEFLB-XFFZJAGNSA-N 295.385 2.709 10 40 CFCB CCCCN1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O 5552376 WJHQPCRASPMJIW-WQLSENKSSA-N 293.344 2.934 10 40 CFCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1ccc(Cl)cc1 100408788 HHDUEQMJFQUXEV-VMPITWQZSA-N 289.644 2.684 10 40 CFCB C[C@H](O)[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529612 LXFPQDBIOAGAGA-BONVTDFDSA-N 296.326 2.634 10 40 CFCB CN1C(S)=NC(C)(C)C[C@@]1(C)c1ccc(O)cc1O 8684146 FXTWMGAPFQYDAE-AWEZNQCLSA-N 280.393 2.713 10 40 CFCB CN(C)c1ccc(Cc2ccc(N(C)C)cc2N)cc1 1593752 FAEAEXBQLNILAQ-UHFFFAOYSA-N 269.392 2.992 10 40 CFCB Nc1ccc(CCC(=O)Nc2ccccc2F)cc1 20186736 KYMYDQLSIHVJGT-UHFFFAOYSA-N 258.296 2.979 10 40 CFCB CC(C)N1CCN(CCCSc2nccs2)CC1 188301813 MTCWTBXWJZKPSB-UHFFFAOYSA-N 285.482 2.651 10 40 CFCB O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)cc1 1175528 GVOAQAWEVWVUNU-FMIVXFBMSA-N 290.413 2.776 10 40 CFCB Cc1ccccc1N/C=C1\SC(=S)N(C)C1=O 101937194 CGHZIZKKBWLTIF-YFHOEESVSA-N 264.375 2.738 10 40 CFCB C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 49413263 UHKPBSZBCYNBDM-CZUORRHYSA-N 272.392 2.949 10 40 CFCB Nc1ccc(Cc2noc(Cc3ccccc3)n2)cc1 217684673 RYHFTZGYAPGDEF-UHFFFAOYSA-N 265.316 2.833 10 40 CFCB c1ccc2oc(-c3ccc(N4CCNCC4)cc3)nc2c1 2527239 LCMNDMOKEJXAOT-UHFFFAOYSA-N 279.343 2.904 10 40 CFCB in-vitro CC(C)Cn1ccc(CNCc2ccccc2O)n1 256055085 ZBYGHJCRANJKML-UHFFFAOYSA-N 259.353 2.535 10 40 CFCB CCN(CC)c1ccc(CNCCCN(C)C)cc1 2518424 LLMYSLRVMKGGSF-UHFFFAOYSA-N 263.429 2.574 10 40 CFCB CCOC(=O)c1sc(Nc2ccc(N)cc2)nc1C 3881156 UAPBZXHPTKDDPT-UHFFFAOYSA-N 277.349 2.954 10 40 CFCB COc1ccc2ccc(O)c(CN3CCO[C@@H](C)C3)c2c1 15525133 WMNOUYIZZSANIQ-LBPRGKRZSA-N 287.359 2.775 10 40 CFCB Cc1ccc(NC(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)c(C)c1 100281922 RWFMODFYTWMMBT-KPZWWZAWSA-N 299.370 2.816 10 40 CFCB COC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 37307599 MYNNVQOCWQTNAF-UHFFFAOYSA-N 287.315 2.800 10 40 CFCB CN(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1 19322750 AJLSNOAXXISZGO-UHFFFAOYSA-N 285.435 2.799 10 40 CFCB biogenic Cc1cc(CNC(=O)Cc2cccc(O)c2)ccc1N(C)C 71910818 OBSAHEZLTRHZPE-UHFFFAOYSA-N 298.386 2.626 10 40 CFCB CC[C@H](NC(=O)c1ccn2cncc2c1)c1ccccc1O 95445915 KYTQCAKAAHLWNE-HNNXBMFYSA-N 295.342 2.921 10 40 CFCB Cc1cc(/N=N/c2cc(C)[n+]([O-])c(C)c2)cc(C)[n+]1[O-] 18038188 PDDKFYBAZUFIBF-FOCLMDBBSA-N 272.308 2.602 10 40 CFCB Cc1ccc(C(=O)C(=O)N(C)Cc2ccccc2O)cc1 58332996 IXZFDGCTWMPUOR-UHFFFAOYSA-N 283.327 2.542 10 40 CFCB CNCCC1CCN(Cc2ccc(N(C)C)cc2)CC1 15424029 PWDBTNSUZXVYHV-UHFFFAOYSA-N 275.440 2.574 10 40 CFCB CCCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C 409195331 OQRCDOQHLOJSMW-XFXZXTDPSA-N 291.372 2.831 10 40 CFCB COc1cccc(CNc2n[nH]c3nc(C)cc(C)c23)c1O 12154411 DGEUBPSBEPMAAR-UHFFFAOYSA-N 298.346 2.901 10 40 CFCB Cn1c(CCc2ccc(N)cc2)nc2ccccc21 189313 UYYUYDDKLNGZQL-UHFFFAOYSA-N 251.333 2.941 10 40 CFCB Cc1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1 62719572 JWYDLBBXBQNAHQ-UHFFFAOYSA-N 280.331 2.941 10 40 CFCB CCN1C(=O)/C(=C/c2cccnc2)c2ccccc21 409204812 JTERIWVEYJNRKP-GXDHUFHOSA-N 250.301 2.989 10 40 CFCB Cc1cccc(Cl)c1/N=N\c1c(N)nc(N)nc1O 104125393 AHDOJZQQOFMZEP-ZCXUNETKSA-N 278.703 2.724 10 40 CFCB Cc1cn2c(n1)[C@H](CNCc1ccc3c(c1)CCO3)CCC2 95402059 HFUCWFQORAQQBY-INIZCTEOSA-N 297.402 2.794 10 40 CFCB CN(C)c1ccc(CN2CCC[C@H]2Cn2ccnc2)cc1 195573507 BTUGQNWEUWAWGA-KRWDZBQOSA-N 284.407 2.614 10 40 CFCB CCOc1cc(/C=C2\SC(=O)NC2=S)ccc1O 16776722 MNNCACNGPCJJIF-POHAHGRESA-N 281.358 2.916 10 40 CFCB Oc1ccc([C@@H]2COc3c(ccc(O)c3O)C2)cc1 1611946 JYTKPSXFNOBXQJ-NSHDSACASA-N 258.273 2.522 10 40 CFCB Nc1nc(O)c2nc(/N=N\c3ccc(Cl)cc3)[nH]c2n1 104346043 GJEUVQDKRXQRST-HNENSFHCSA-N 289.686 2.710 10 40 CFCB O=C1N=C(O)/C(=C/c2cccnc2)C(=O)N1c1ccccc1 16488418 RLTYLOVZSOTXHF-LCYFTJDESA-N 293.282 2.588 10 40 CFCB C[C@@H](NCc1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 36369688 TYROVGXVOBWINF-KDOFPFPSSA-N 284.403 2.964 10 40 CFCB COC(=O)CN1c2ccc(OC)cc2C(C)=CC1(C)C 223824445 YEENKVSZGJQEKL-UHFFFAOYSA-N 275.348 2.870 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 2707095 XWXASULPQVFPEN-XFFZJAGNSA-N 295.385 2.622 10 40 CFCB CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 1188836 WSAZYKQYHPPESP-FLIBITNWSA-N 279.386 2.916 10 40 CFCB CNC(=S)Nc1ccccc1C(=O)c1ccccc1 13812709 HICRGSMPSHSXQY-UHFFFAOYSA-N 270.357 2.834 10 40 CFCB O=C1C(=O)c2nc3ccccc3nc2-c2ccccc21 1736939 YPBXUXXKUJECCQ-UHFFFAOYSA-N 260.252 2.676 10 40 CFCB CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1243635 QYVWTVHCDJCYOA-TWGQIWQCSA-N 253.323 2.657 10 40 CFCB O=C1Cc2nc3ccccc3nc2CC(=O)c2ccccc21 1612012 SMBJOBYPGFWSID-UHFFFAOYSA-N 288.306 2.794 10 40 CFCB CCOc1ccc(N(CC)[C@@H](CC)C(=O)O)cc1 224998943 OBRQDLOBZDYCCT-ZDUSSCGKSA-N 251.326 2.775 10 40 CFCB C[C@H](Cc1cccs1)N(C)C(=O)Cc1ccc(N)cc1 93266140 IDEOALZCFJEDJK-GFCCVEGCSA-N 288.416 2.962 10 40 CFCB COc1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 45886744 GMUNFBLJEFLFOD-VIFPVBQESA-N 295.295 2.890 10 40 CFCB CN1C(=O)/C(=C/Nc2ccc(F)cc2)SC1=S 618254917 KCEBDAGWBVISQF-TWGQIWQCSA-N 268.338 2.569 10 40 CFCB O=C(O)[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 196523 REGZZMYIDMVSBE-YGOYTEALSA-N 294.148 2.988 10 40 CFCB C[C@H](O)[C@@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529615 LXFPQDBIOAGAGA-ZUZCIYMTSA-N 296.326 2.634 10 40 CFCB CCSc1cc(C(=O)NCc2ccccc2O)ccn1 95957757 PCFIVPGAHDIQKN-UHFFFAOYSA-N 288.372 2.829 10 40 CFCB COC(=O)c1sc2ncc3c(c2c1N)C[C@@H](C)CC3 5394077 UPENDRABDYEGNB-ZETCQYMHSA-N 276.361 2.790 10 40 CFCB COC(=O)c1sc2nc3ncc(Cl)cc3cc2c1N 71789000 PFFZGLXRMCBFRX-UHFFFAOYSA-N 293.735 2.867 10 40 CFCB O=C(/N=N/Cc1cccnc1)c1ccccc1[N+](=O)[O-] 33687297 NQHTZAGCUXVQGM-FOCLMDBBSA-N 270.248 2.782 10 40 CFCB COc1ccccc1CC(=O)NCc1ccc(N(C)C)cc1 12557319 HFOZEVHJSKFAPB-UHFFFAOYSA-N 298.386 2.620 10 40 CFCB Cc1cc(C(F)F)nc2sc(C(=O)O)c(N)c12 6400177 YDDFBKIBGPQZAH-UHFFFAOYSA-N 258.249 2.823 10 40 CFCB Brc1ccc(/N=N/N2CCOCC2)cc1 4615882 OBFKJDUASYMKGA-OUKQBFOZSA-N 270.130 2.780 10 40 CFCB COc1ccc(C2=NN[C@@H](c3ccccc3O)C2)cc1OC 72332565 VMGDLRHVBDXJSL-CQSZACIVSA-N 298.342 2.848 10 40 CFCB Cc1cc(O)c(CN2CCN(c3ccncc3)CC2)cc1C 23847493 OWUUQYYPSBCKAD-UHFFFAOYSA-N 297.402 2.726 10 40 CFCB CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1446634 XCNKVWYLWGAVOO-YFHOEESVSA-N 294.357 2.816 10 40 CFCB O=C1N[C@@H](c2cc(Cl)ccc2O)Nc2ccccc21 12537274 HLEDWQZXCJNHFP-ZDUSSCGKSA-N 274.707 2.900 10 40 CFCB NC(=S)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1 252488794 IZDHQUQIASQANP-HNNXBMFYSA-N 297.383 2.787 10 40 CFCB [N-]=[N+]=CC(=O)[C@]1(c2ccccc2)O[C@@H]1c1ccccc1 5568087 NOPIJYBBZPUPHE-CVEARBPZSA-N 264.284 2.523 10 40 CFCB Nc1cccc2c1C(=O)c1ccc(Cl)cc1C2=O 4365519 CCEGIXWXBRNFOS-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2=O 4655107 ANPHVANSJXDRTP-XSWJXKHESA-N 284.355 2.996 10 40 CFCB endogenous,in-man COc1ccc(N2CCC(Nc3ncccn3)CC2)cc1 65609457 NWHUSPGAVGAOJE-UHFFFAOYSA-N 284.363 2.566 10 40 CFCB CN(C)c1ccc([C@H](CN)N2CCc3ccccc3C2)cc1 20226085 UHUGNEUVSCYPMH-IBGZPJMESA-N 295.430 2.811 10 40 CFCB CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 32500108 KNNDOELRSXDHQE-UHFFFAOYSA-N 264.281 2.560 10 40 CFCB CN(C)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 7910059 IWFMYTKWMBBZKM-UHFFFAOYSA-N 272.323 2.822 10 40 CFCB C[C@H]1CCCN(c2ccc(CNC(=O)C3CC3)cc2)C1 225385251 OMGZNXDUMDKLGS-ZDUSSCGKSA-N 272.392 2.949 10 40 CFCB O=C1/C(=C\c2ccco2)SC(=S)N1C[C@H]1CCCO1 1450946 ZZNXBKIYVRFNAN-UEUZTHOGSA-N 295.385 2.660 10 40 CFCB COc1ccc(/C=C2\SC(=S)N(C)C2=O)c(OC)c1 1447274 MCNRHJRAFJUQTK-WDZFZDKYSA-N 295.385 2.535 10 40 CFCB C[C@@H](O)[C@H](Nc1c2ccccc2nc2ccccc12)C(=O)O 5529613 LXFPQDBIOAGAGA-BMIGLBTASA-N 296.326 2.634 10 40 CFCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\N(C)C 33910358 RLKJCMBUYFGIAP-WQLSENKSSA-N 263.728 2.508 10 40 CFCB Cc1cc(C)[n+](CCc2ccc(O)c(O)c2)c(C)c1 5538109 GYCIGSPEYJBUKI-UHFFFAOYSA-O 258.341 2.553 10 40 CFCB COCc1cccc(C(=O)NCc2ccc(N(C)C)cc2)c1 18215318 XBNIFMVVBIJJLA-UHFFFAOYSA-N 298.386 2.829 10 40 CFCB CCCN1C(=O)/C(=C\c2ccco2)SC1=S 5863330 UUYMFYYAVUWMPT-VQHVLOKHSA-N 253.348 2.891 10 40 CFCB CC1=NNC(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1C 408996292 CVZFBWCREBQOQF-SXGWCWSVSA-N 294.358 2.687 10 40 CFCB CC1(C)OC(=O)C(=Cc2coc3ccccc23)C(=O)O1 526059788 DXZFFTCFCPVJSQ-UHFFFAOYSA-N 272.256 2.652 10 40 CFCB CCc1ccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)cc1 409059438 NIHWHETYSUVICH-UVTDQMKNSA-N 285.343 2.551 10 40 CFCB CN1C(=O)/C(=C2\C(=O)Nc3ccccc32)c2ccccc21 38162618 QNOCRUSVMMAKSC-PFONDFGASA-N 276.295 2.526 10 40 CFCB in-vitro O=CNc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 4712897 MXXCLGHDQSELFE-UHFFFAOYSA-N 285.686 2.684 10 40 CFCB CCN1C(=O)/C(=C/N2C[C@@H](C)C[C@H](C)C2)SC1=S 1262291 UMLBHQYGPBPWRY-YNMOXFEVSA-N 284.450 2.686 10 40 CFCB COc1ccc(OC)c(/C=C2\SC(=S)N(C)C2=O)c1 969013 RRGLKCJMZOEZAT-XFFZJAGNSA-N 295.385 2.535 10 40 CFCB O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)CS1 3845264 NERBQHFMMWJKMW-UHFFFAOYSA-N 280.304 2.750 10 40 CFCB biogenic Nc1ccc(OCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 62719606 VMLHYSMVPUFEEB-UHFFFAOYSA-N 284.294 2.772 10 40 CFCB CNC[C@H](OCCc1ccccc1)c1ccc(O)c(O)c1 6378915 LBPQZSRAMFQEHA-KRWDZBQOSA-N 287.359 2.618 10 40 CFCB O=C1N=C(Nc2cccnc2)S/C1=C/c1ccc(O)cc1 5660183 PLZPUYIPBJNITH-MDWZMJQESA-N 297.339 2.870 10 40 CFCB CCN(CC)c1ccc(/C=C/C(N)=O)cc1Br 216884582 LJKGOIIJKSGNSR-SOFGYWHQSA-N 297.196 2.794 10 40 CFCB Nc1ccc(OCc2n[nH]c(-c3cccc(F)c3)n2)cc1 62719608 PHRWJGLOFBVXFS-UHFFFAOYSA-N 284.294 2.772 10 40 CFCB Cc1ccccc1NC(=O)COc1ccc(N)cc1 19394579 TZRSYTQXHFANEL-UHFFFAOYSA-N 256.305 2.595 10 40 CFCB COc1cccc(-c2nc(Cc3ccc(N)cc3)no2)c1 217684791 OPUHAMROBVYKOO-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB CCCn1cc(CNCc2ccccc2O)c(C)n1 256052559 NUXSIHKRPDNCRW-UHFFFAOYSA-N 259.353 2.597 10 40 CFCB CC(C)c1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1 33865897 OXPCQWNHEDPTOK-UHFFFAOYSA-N 296.322 2.782 10 40 CFCB Cc1cn(C(C)C)nc1NCc1ccc(O)cc1O 256051420 JCOWTSHFHLOYNV-UHFFFAOYSA-N 261.325 2.796 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 1889045510 XUMFIRKMIQVWGO-SECBINFHSA-N 264.716 2.999 10 40 CFCB COCCNCc1cc(C)n(-c2ccc(OC)cc2)c1C 113704480 NHUHDRRNXHBKEE-UHFFFAOYSA-N 288.391 2.839 10 40 CFCB Cc1cc(O)c(CN2CC[C@@H](N3CCCC3)C2)cc1C 66081031 FEHWFIVOMZLXFY-MRXNPFEDSA-N 274.408 2.679 10 40 CFCB CC(C)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 3210481 WEYABLLXBJZYIO-TWGQIWQCSA-N 252.364 2.624 10 40 CFCB CC(C)OCCC(=O)NCc1ccc2c(c1)CCCN2C 58770155 SCSTZYANIZQVKE-UHFFFAOYSA-N 290.407 2.500 10 40 CFCB Cc1n[nH]c(C)c1/C=C1\SC(NC2CCCC2)=NC1=O 65610688 MEHQVDUERPGTLH-GHXNOFRVSA-N 290.392 2.529 10 40 CFCB O=C(c1ccccc1)c1cc2ccc(O)c(O)c2c(=O)s1 27516712 JLIUFLRJCMUVOQ-UHFFFAOYSA-N 298.319 2.904 10 40 CFCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C=O 72216809 DHBNHRZPKIEJQI-HNNXBMFYSA-N 269.348 2.782 10 40 CFCB Nc1ccc(CCC(=O)Nc2cccc(F)c2)cc1 20186823 JLPPTAHIWHQFNP-UHFFFAOYSA-N 258.296 2.979 10 40 CFCB CO[C@@H]1C[C@@H](N=[N+]=[N-])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 5431149 QPIUTUWBOILDRM-HTOAHKCRSA-N 291.307 2.541 10 40 CFCB COc1ccc(O)c(C2=NN[C@@H](c3ccccc3F)C2)c1 539435 FTNCYYBOELDHNQ-CQSZACIVSA-N 286.306 2.979 10 40 CFCB Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 133754 JKKUIIMTTCGGBQ-UHFFFAOYSA-N 277.345 2.810 10 40 CFCB COc1ccc(N(C)Cc2ncc(Cl)n2C)cc1OC 95955459 YIMJWDWMBGQBTN-UHFFFAOYSA-N 295.770 2.727 10 40 CFCB CCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 33809095 XTLXDTJVUKAPNV-YFHOEESVSA-N 293.369 2.606 10 40 CFCB CCCCCC(=O)C(=O)c1ccc(O)c(C)c1O 1563297 MRSTWPOMUCOFSL-UHFFFAOYSA-N 250.294 2.738 10 40 CFCB Oc1ccc(CCNc2ncnc3ccc(F)cc23)cc1O 92665971 GHJMWHAYICHMJN-UHFFFAOYSA-N 299.305 2.835 10 40 CFCB COc1ccc(C2=NN[C@H](c3ccccc3O)C2)cc1 568217 BSDMXYPLVTZYAU-HNNXBMFYSA-N 268.316 2.840 10 40 CFCB CN(C)c1ccc(CNc2cnn(CC(F)F)c2)cc1 90190691 IFVXHDICPDMRNI-UHFFFAOYSA-N 280.322 2.826 10 40 CFCB Cc1cnn([C@H](C)[C@H](C)NCc2ccc3c(c2)CCO3)c1 69458736 TYHHQEFLQBMPCE-UONOGXRCSA-N 285.391 2.866 10 40 CFCB COc1cccc([C@H]2Oc3ccccc3C(=O)C2=O)c1OC 604250683 SAPKZXLOBODVAB-QGZVFWFLSA-N 298.294 2.589 10 40 CFCB CO[C@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@@H](C)O1 5203162 PDONKCFUOXOLLW-OJAKKHQRSA-N 291.307 2.672 10 40 CFCB Cc1cc(C(=O)O[C@@H]2CCOC2=O)c(C)n1-c1ccccc1 3263262 IDZJLWQVQZPIEC-OAHLLOKOSA-N 299.326 2.566 10 40 CFCB COc1ccc(C2=NN[C@H](c3ccccc3)C2)c(O)c1 348700 JGHLMHJQDFMBTP-AWEZNQCLSA-N 268.316 2.840 10 40 CFCB biogenic O=C1c2ccccc2C(=O)C12O[C@H]2c1ccccc1 349850 DXBPSHSLDUYBJI-HNNXBMFYSA-N 250.253 2.576 10 40 CFCB O[C@@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1 96528302 WNEROAUXERBIGQ-MRXNPFEDSA-N 269.344 2.837 10 40 CFCB Cc1cc(/N=N\c2cc(C)[n+]([O-])c(C)c2)cc(C)[n+]1[O-] 104046176 PDDKFYBAZUFIBF-NXVVXOECSA-N 272.308 2.602 10 40 CFCB COc1ccc2c(c1)CCCN2Cc1nc(C2CC2)no1 29455669 YGLBQXDSOZCPHU-UHFFFAOYSA-N 285.347 2.908 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1 148764772 RPZOWXOHVXNZRB-NTEUORMPSA-N 294.310 2.904 10 40 CFCB CN(C)c1ccc(/C=C/C=C2\SC(=O)NC2=O)cc1 3044244 DWEIFYSAMGRMQR-UBXZVMTISA-N 274.345 2.633 10 40 CFCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 409011778 HPAZGLIYYMFBKH-LQGZHCLWSA-N 293.344 2.933 10 40 CFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(C(C)(C)C)cc1 83318742 GONKQJIUKJCDQT-UVTDQMKNSA-N 299.370 2.944 10 40 CFCB CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2C)c1 15250377 GWLSYVWCYAGCDR-MRXNPFEDSA-N 298.342 2.987 10 40 CFCB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2=O 4655105 ANPHVANSJXDRTP-LLDVTBCESA-N 284.355 2.996 10 40 CFCB endogenous,in-man CCN(CC)c1ccc(/C=C/[N+](=O)[O-])c(OC)c1 34722226 BEJWPUJOGOVSSD-CMDGGOBGSA-N 250.298 2.789 10 40 CFCB C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)NC2=O)o1 8117281 MLGAUACWGHSKQL-ORRWNSOMSA-N 265.359 2.892 10 40 CFCB C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=S)NC2=O)o1 8117284 MLGAUACWGHSKQL-JQVGVLFISA-N 265.359 2.892 10 40 CFCB Cc1ccc(C(=O)C2C(=O)c3ccccc3C2=O)cc1 100314028 VZXQNPBGWKSHSD-UHFFFAOYSA-N 264.280 2.873 10 40 CFCB Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)cc1)NCC2 3727806 NMJWRWIAZGYCTJ-OAHLLOKOSA-N 275.735 2.986 10 40 CFCB COc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1 6484196 IPDZIIYOQAEWIC-FOCLMDBBSA-N 291.332 2.758 10 40 CFCB in-vivo CN(C)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 8172022 AHJGTTFGTAPDKK-ZDUSSCGKSA-N 258.365 2.725 10 40 CFCB COc1ccc2ccc(O)c(CN3CCC[C@H](O)C3)c2c1 7012044 FZUKLFWELVZTAO-ZDUSSCGKSA-N 287.359 2.511 10 40 CFCB CC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 20185806 USMRJVSJLXJDMI-UHFFFAOYSA-N 268.316 2.653 10 40 CFCB Oc1cc2c(cc1CN1CCc3sccc3C1)OCO2 14138206 NKEGMOIQQOKVDM-UHFFFAOYSA-N 289.356 2.741 10 40 CFCB CC(C)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 215638 XTQPJEAXZRLFJE-UHFFFAOYSA-N 289.331 2.942 10 40 CFCB CCn1nc(C)c(-c2c(O)c(=O)n(C)c3ccccc23)c1C 526052599 ROTNVNODPAPESE-UHFFFAOYSA-N 297.358 2.744 10 40 CFCB CCc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C[C@H](C)N2 95478421 UDMSODARFLMUBH-FZMZJTMJSA-N 285.395 2.700 10 40 CFCB CC1(C)CC2=NOS3=C2C(=NO3)[C@@H]1c1ccccn1 16952627 QLFVKGGFKNQVBB-IHBJSSOOSA-N 275.333 2.639 10 40 CFCB Nc1ccc(Cc2noc(-c3ccccc3)n2)cc1 217690925 OOIQNWFUQOTMNW-UHFFFAOYSA-N 251.289 2.910 10 40 CFCB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(N)cc2)C1 71257557 LYKGTELGNPCUQI-ZDUSSCGKSA-N 291.395 2.762 10 40 CFCB Nc1c(C(=O)c2ccc(O)c(O)c2)sc2ncccc12 22636473 VIUJLSIFEYAIOM-UHFFFAOYSA-N 286.312 2.521 10 40 CFCB O=C1C(=O)N(c2ccccc2)N=C1/N=N/c1ccccc1 104218508 YQTMGNWQPPQXPG-WUKNDPDISA-N 278.271 2.700 10 40 CFCB CCN1C(=O)/C(=C\C=C2/CCCN2CC)SC1=S 31332101 KKACEFKPAJPBRW-AMMQDNIMSA-N 282.434 2.750 10 40 CFCB CS(C)(=O)=Cc1nc(C2CCC2)nc2ccccc12 218796739 FAAXLQLQSNQSLF-UHFFFAOYSA-N 274.389 2.592 10 40 CFCB COc1ccc2c(c1)C(=O)c1[nH]c3ccccc3c1C2=O 196306479 PTABQDXCOJMEBR-UHFFFAOYSA-N 277.279 2.952 10 40 CFCB COc1cc(C)sc1C(=O)NCc1ccccc1O 96406078 OBDZYUOMBNUHJB-UHFFFAOYSA-N 277.345 2.701 10 40 CFCB CCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 5215141 SYABIZPQAHACHD-FMIVXFBMSA-N 276.361 2.809 10 40 CFCB CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1446630 WJCQCFKPFSAMPH-YFHOEESVSA-N 294.357 2.816 10 40 CFCB Cc1cc(N(C)C)ccc1CNC(=O)c1ccco1 75139545 QWJUYXRTWUKOCO-UHFFFAOYSA-N 258.321 2.584 10 40 CFCB COc1ccc(-c2nc(COc3ccc(N)cc3)n[nH]2)cc1 62719583 GXSHSDWOZVYFSR-UHFFFAOYSA-N 296.330 2.642 10 40 CFCB CC(C)(C)OC(=O)NC[C@@H]1CCN(c2ccc(N)cc2)C1 89223657 IOROWRBFSNXDSS-LBPRGKRZSA-N 291.395 2.620 10 40 CFCB COCCCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S 9189306 JZLLVGWHJOTGRB-FLIBITNWSA-N 297.401 2.826 10 40 CFCB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(N)cc1 19281540 ZWWWANQOKHREQC-LBPRGKRZSA-N 266.344 2.789 10 40 CFCB Cc1cc(O)c(CN(C)Cc2ccc(C(N)=O)cc2)cc1C 36395766 AHUZVAIBSMZQHC-UHFFFAOYSA-N 298.386 2.740 10 40 CFCB O=C1NN=C/C1=C/Nc1ccc(Oc2ccccc2)cc1 100329368 CPAGAGPFFPKQTA-BENRWUELSA-N 279.299 2.890 10 40 CFCB C[C@H](NCc1ccc2c(c1)CCO2)[C@@H](C)n1cccn1 69418474 FBJQAANNVUPZEF-QWHCGFSZSA-N 271.364 2.557 10 40 CFCB C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 36369690 TYROVGXVOBWINF-RDTXWAMCSA-N 284.403 2.964 10 40 CFCB O=C1NC(=S)S/C1=C\c1ccccc1OC(F)F 6339232 JGZBNVQIQJRQHN-YVMONPNESA-N 287.312 2.777 10 40 CFCB Cc1ccc(O)c(CN(CCO)Cc2cccs2)c1 13997534 SLZZVCMSQYHBKW-UHFFFAOYSA-N 277.389 2.757 10 40 CFCB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)NC3=O)cc21 208202250 UIJBCMZVULIORU-SEEODLKFSA-N 299.374 2.589 10 40 CFCB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)cc1 19273677 HBPMQPCUXRBTJK-GFCCVEGCSA-N 270.332 2.983 10 40 CFCB O=c1cc(/N=N/c2ccc(Cl)cc2)nc(O)[nH]1 17970262 VTVWKVYGAZNCRN-CCEZHUSRSA-N 250.645 2.544 10 40 CFCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1cccc(Cl)c1 100408775 SCOYFXPAXRIHLR-VMPITWQZSA-N 289.644 2.684 10 40 CFCB COc1cc(C2=NN3C(=O)c4ccccc4[C@@H]3C2)ccc1O 1554502647 WYZGVHVNYZTTRW-AWEZNQCLSA-N 294.310 2.706 10 40 CFCB O=C1NC(=S)S/C1=C\c1cc2ccccc2o1 9950494 MCIXPJLOMAXCER-POHAHGRESA-N 261.327 2.922 10 40 CFCB CC(C)n1ccnc1CN(C)c1ccc2c(c1)OCO2 95975345 HBMJQLGEBQTIBR-UHFFFAOYSA-N 273.336 2.829 10 40 CFCB CCOc1cccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)c1 41078292 GDKGNJBDPJWVCB-YEIVOSTPSA-N 297.314 2.536 10 40 CFCB Cc1ccc([C@@H]2OC23C(=O)c2ccccc2C3=O)cc1 537546 SQUWDTMPSKJTOE-INIZCTEOSA-N 264.280 2.884 10 40 CFCB CN(C)c1ccc([C@@H](CN)N2CCc3ccccc3C2)cc1 20226084 UHUGNEUVSCYPMH-LJQANCHMSA-N 295.430 2.811 10 40 CFCB Cc1cc(C(=O)NC2CC2)c(C)n1-c1ccccc1 8343115 KWVIWDDLQQLZCI-UHFFFAOYSA-N 254.333 2.986 10 40 CFCB Nc1c2c(c(O)c3ccccc13)C(=O)c1ccccc1C2=O 4522757 CAYVMVBUPLSWPN-UHFFFAOYSA-N 289.290 2.903 10 40 CFCB C[C@@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 226273956 JZSNGUCAPXJHEH-LLVKDONJSA-N 270.332 2.503 10 40 CFCB CC[C@H](NCc1c(C)nn(C)c1OC)c1ccccc1O 158124770 MHATWDOWTKFQLF-AWEZNQCLSA-N 289.379 2.684 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 103120733 LHWZUZSPRKNEBP-DZKIICNBSA-N 270.376 2.581 10 40 CFCB O=C1N[C@H](c2cc(Cl)ccc2O)Nc2ccccc21 12537275 HLEDWQZXCJNHFP-CYBMUJFWSA-N 274.707 2.900 10 40 CFCB COc1ccc(O)c([C@H](C)NCc2c(C)n[nH]c2C)c1 585139882 BFCIWYRSGXRCHO-VIFPVBQESA-N 275.352 2.592 10 40 CFCB Cc1nonc1/N=N/N(Cc1ccccc1)c1nonc1C 4852046 CLUGPCDRWJLUJK-XMHGGMMESA-N 299.294 2.775 10 40 CFCB C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 49413259 UHKPBSZBCYNBDM-CJNGLKHVSA-N 272.392 2.949 10 40 CFCB Nc1ccc(CC(=O)N2CC3(CC3)c3ccccc32)cc1 225472917 TZWVBGXHFHZFRS-UHFFFAOYSA-N 278.355 2.890 10 40 CFCB CN[C@@H](Cc1ccccc1)c1cccc(OC)c1O 1667182 MNKSJKLEOTWLDU-AWEZNQCLSA-N 257.333 2.904 10 40 CFCB in-vitro CN(C)c1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 2231110 WAJYPZPDGRESKE-INIZCTEOSA-N 268.316 2.574 10 40 CFCB Cc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)CO)c2C)c1 97204809 MDGYGHCTXZSYEV-LBPRGKRZSA-N 286.375 2.513 10 40 CFCB CN(C)c1ccc(C2=CCN(C(=O)c3ccco3)C2)cc1 95456524 PFURDVDJPRQBLM-UHFFFAOYSA-N 282.343 2.885 10 40 CFCB CCCN1C(=O)N/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409244472 DBVRURDHPUQIQD-NTEUORMPSA-N 289.379 2.989 10 40 CFCB Cc1cn(CCF)nc1NCc1ccc(N(C)C)cc1 256053675 SJBFXLIVXUNTHO-UHFFFAOYSA-N 276.359 2.839 10 40 CFCB COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1 5766291 DMKTUGNUTHQWNI-GFCCVEGCSA-N 272.300 2.825 10 40 CFCB COc1cccc(CNc2ccc3c(c2)OCO3)c1O 19966259 HBKRWNQJHONFMU-UHFFFAOYSA-N 273.288 2.742 10 40 CFCB COc1ccc(OC)c(-n2c(C)cc(CO)c2C)c1 32111825 CZJZVJTTWCXKDO-UHFFFAOYSA-N 261.321 2.604 10 40 CFCB COC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N 36047726 QUTCTCKMHGNWNG-UHFFFAOYSA-N 270.741 2.935 10 40 CFCB Cc1cc2c(cc1-n1c(C)cc(C=O)c1C)OCCO2 4973507 OFZXVFPDWWIKGE-UHFFFAOYSA-N 271.316 2.986 10 40 CFCB COCCCN1C(=O)/C(=C/c2ccco2)SC1=S 2351094 JHVSMJDXAMDYQU-NTMALXAHSA-N 283.374 2.517 10 40 CFCB CC(C)n1[nH]c(=O)c2cc3oc4c(O)c(O)ccc4c3nc21 85874989 LPBJZTYJPVHQLU-UHFFFAOYSA-N 299.286 2.616 10 40 CFCB biogenic C[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(N)cc1 225489513 TZIDXUNHCZPREU-CYBMUJFWSA-N 280.371 2.785 10 40 CFCB N=C(N)c1ccc(/N=N/c2ccc(N)cc2N)cc1 5487867 ACTOCTBCWSQKNV-VHEBQXMUSA-N 254.297 2.550 10 40 CFCB Cc1ccc(C)c(NC(=O)COc2ccc(N)cc2)c1 31895997 PVVCIDIFCSZQHC-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)CN=[N+]=[N-] 72208008 YMLNSHJEYSSVOM-MFKMUULPSA-N 284.360 2.837 10 40 CFCB Cc1ccc(-n2c(C)cc(CO)c2C)c([N+](=O)[O-])c1 223712559 ZBEFCEMGCRYHPP-UHFFFAOYSA-N 260.293 2.803 10 40 CFCB c1cc([C@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)[nH]n1 257321994 WEFKGISXFIAWPJ-INIZCTEOSA-N 296.418 2.999 10 40 CFCB C/C(=C1/SC(=S)N(C)C1=O)c1cccc([N+](=O)[O-])c1 1476338 GMPHHLXOVKNFLT-YFHOEESVSA-N 294.357 2.816 10 40 CFCB Cc1nn(C(F)F)cc1NCc1ccc(O)cc1O 256054600 WYTGQIWAMQYHPV-UHFFFAOYSA-N 269.251 2.610 10 40 CFCB CC1=C[C@@H]2CC[C@@H]1[C@]13O[C@]21C(=O)c1ccccc1C3=O 101047696 JGKPUBSSOANYGS-GGGSXHOBSA-N 266.296 2.560 10 40 CFCB C[C@H]1Cc2cc(/C=C3/SC(=S)N(C)C3=O)ccc2O1 2353234 UBSKXNGUCFCSGJ-OTIXFSKASA-N 291.397 2.841 10 40 CFCB CCOc1nc(N)nc(C)c1/N=N\c1ccc(O)cc1 17141599 JSNNXRFXJTZIAZ-ZCXUNETKSA-N 273.296 2.887 10 40 CFCB CN(C)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 8171272 JMJQUHJJDJGXHQ-UHFFFAOYSA-N 290.313 2.961 10 40 CFCB Cc1ccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)cc1C 1889014781 ZXDOFPQPOIWDEX-ZDUSSCGKSA-N 258.325 2.962 10 40 CFCB C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 49413265 UHKPBSZBCYNBDM-XJKSGUPXSA-N 272.392 2.949 10 40 CFCB Cc1cc(C)n2nc(N)c(/N=N/c3ccncc3)c2n1 3849337 KMOLFPJOWOYFEC-ISLYRVAYSA-N 267.296 2.739 10 40 CFCB CC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3200262 UDLRPUYRTTUKQW-UHFFFAOYSA-N 252.269 2.955 10 40 CFCB CCN1C(=O)/C(=C/c2cccn2C)c2ccccc21 409204177 CTAXIADMVIQNHB-SDNWHVSQSA-N 252.317 2.932 10 40 CFCB Nc1ccc(OC[C@@H]2CCCN3CCCC[C@H]23)cc1 96526692 TZQRDGBYUMWAIM-XJKSGUPXSA-N 260.381 2.912 10 40 CFCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CC1 58264976 OCZMEEJERJXEGR-UHFFFAOYSA-N 275.396 2.835 10 40 CFCB O=C1C[C@@H](c2ccccc2)Oc2c1ccc(O)c2O 13322115 OXEDXEXEXGPMOG-ZDUSSCGKSA-N 256.257 2.804 10 40 CFCB in-vitro CN(C)c1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1 5851921 XPECVEUZBXYCSQ-INIZCTEOSA-N 281.359 2.631 10 40 CFCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NC(C)(C)C 408536347 WESJCAPPZDMRNN-UVTDQMKNSA-N 271.364 2.990 10 40 CFCB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc3c(c2)CCO3)c1 69458728 TYHHQEFLQBMPCE-KGLIPLIRSA-N 285.391 2.866 10 40 CFCB Cc1ccccc1N/C=C1/SC(=S)N(C)C1=O 4109256 CGHZIZKKBWLTIF-JXMROGBWSA-N 264.375 2.738 10 40 CFCB Fc1ccc(CN2COc3cc4c(cc3C2)OCO4)cc1 54982223 AFOPUKUBVJHWEQ-UHFFFAOYSA-N 287.290 2.907 10 40 CFCB COc1cc(-n2c(C)cc(CN)c2C)cc(OC)c1OC 34936153 WPYHWVQRLWTGTB-UHFFFAOYSA-N 290.363 2.579 10 40 CFCB O=C1NC(=S)/C(=C/c2ccc3c(c2)OCO3)S1 5488384 BAAVAAUJBBZLNM-WTKPLQERSA-N 265.315 2.540 10 40 CFCB CC(=O)Oc1ccc(-n2c(C)cc(C=O)c2C)cc1 7278038 FLDRQDLFTKLQCX-UHFFFAOYSA-N 257.289 2.832 10 40 CFCB CCCOc1ccc(/N=N/c2c(N)n[nH]c2N)cc1 101637773 QEMAZQFCWJHLJP-FOCLMDBBSA-N 260.301 2.778 10 40 CFCB CN(C)c1ccc([C@@H](CN)N2CCc3ccccc32)cc1 22223798 XQCDZEWIWQFYKM-GOSISDBHSA-N 281.403 2.815 10 40 CFCB O=C1NN=C(c2ccccc2)/C1=C\Nc1ccc(F)cc1F 100411622 YZAUNXQNVLORIX-FMIVXFBMSA-N 299.280 2.795 10 40 CFCB CCc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C[C@@H](C)N2 95478423 UDMSODARFLMUBH-RISCZKNCSA-N 285.395 2.700 10 40 CFCB Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1 8030949 ZAMDJKJYSOHKKL-UHFFFAOYSA-N 259.397 2.724 10 40 CFCB CCCC1=NN2C(=N)/C(=C/c3cccnc3)C(=O)N=C2S1 96191655 SNYRYPZZJVOMRL-IYTUHVGOSA-N 299.359 2.501 10 40 CFCB CCCN1C(=O)/C(=C\c2ccccc2)C(C(=O)OC)=C1C 574561 BDYCNOQRTCNVFJ-KAMYIIQDSA-N 285.343 2.769 10 40 CFCB COc1ccc2c(c1)CCCN2Cc1ccc(C(N)=O)cc1 32853394 CORGXBPDRZUVDD-UHFFFAOYSA-N 296.370 2.747 10 40 CFCB O=C1C[C@H](c2ccc(O)c(O)c2)Nc2ccccc21 504823515 JTSZDGDXZORZCB-GFCCVEGCSA-N 255.273 2.837 10 40 CFCB COc1cc(N2CCCC2)c(OC)cc1/C=C\[N+](=O)[O-] 409094776 GCFCDYAXQPZXFX-YVMONPNESA-N 278.308 2.551 10 40 CFCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)cnc1Cl 95464211 PBQDFEOEWZRNLN-UHFFFAOYSA-N 298.751 2.550 10 40 CFCB COCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225608783 WVPSIOJRFHJZDQ-CYBMUJFWSA-N 276.380 2.501 10 40 CFCB COCCNCc1cc(C)n(-c2ccccc2)c1C 37329013 OCYLXJJSBDWZLK-UHFFFAOYSA-N 258.365 2.830 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 1889006678 NQUURIPQLCMKQJ-VIFPVBQESA-N 266.251 2.624 10 40 CFCB CC(C)c1nc(CNC(=O)c2ccc(O)c(O)c2)cs1 97235075 ZDDGOVLZISXKOY-UHFFFAOYSA-N 292.360 2.608 10 40 CFCB Cc1nc(N)nc(C)c1/N=N/c1ccccc1[N+](=O)[O-] 100458940 ZLNYIKQXDFBPKR-WUKNDPDISA-N 272.268 2.999 10 40 CFCB Cc1ccc(-n2c(C)cc(/C=C3\NC(O)=NC3=O)c2C)cc1 13799545 UTFJAGULVKXJSH-DHDCSXOGSA-N 295.342 2.787 10 40 CFCB COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1C 7243653 XEVQIJYIHFJGIV-UHFFFAOYSA-N 298.386 3.000 10 40 CFCB CC(=O)Nc1ccc(/N=N/c2c(C)nn(C(=N)N)c2C)cc1 18157211 FZAHFRKWXFRCFL-VHEBQXMUSA-N 299.338 2.615 10 40 CFCB CSC1=N[C@](C)(c2ccc(O)cc2O)CC(C)(C)N1 33343 QIRYTGXNZFLQTI-AWEZNQCLSA-N 280.393 2.804 10 40 CFCB O=C1c2ccccc2C(=O)c2c(Cl)ccc(O)c21 4024068 TUZZWPYZPHNFJY-UHFFFAOYSA-N 258.660 2.821 10 40 CFCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(N)c1 109044 WHNOPTHUJZZRQS-WJDWOHSUSA-N 292.342 2.987 10 40 CFCB COc1cccc(CCC(=O)N(C)Cc2ccccc2O)c1 42116999 NFGWRRAPQMCXRJ-UHFFFAOYSA-N 299.370 2.992 10 40 CFCB NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 32598174 YLYXKPTXJCYMDQ-CQSZACIVSA-N 297.383 2.787 10 40 CFCB CCCn1ccc(CNCc2ccc(N(C)C)cc2)n1 256049742 BFYQKNJKBBZOQX-UHFFFAOYSA-N 272.396 2.649 10 40 CFCB CC1=CC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)C(=N)N2O1 20533425 XHBODFUZBZNOBR-RJUSJVAFSA-N 292.298 2.618 10 40 CFCB COc1ccc(N(C)Cc2cc(C)on2)c(OC)c1 95434280 RNTNVVAQHAJJIT-UHFFFAOYSA-N 262.309 2.637 10 40 CFCB O=C(c1ccccc1)c1ccccc1NCC(=O)N1CCC1 252503006 UXDWEPPXPLVBSX-UHFFFAOYSA-N 294.354 2.562 10 40 CFCB CCOc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1O 60332802 VWWCRDCNYWCDFV-DOTOQJQBSA-N 299.370 2.539 10 40 CFCB CC(=O)[C@@H]1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12 1618287 QCQJQKMIUJOPQF-AWEZNQCLSA-N 290.318 2.700 10 40 CFCB CCn1nccc1/C=C1/SC(=S)N(C(C)C)C1=O 2787183 FUXLMBKNELIYNH-JXMROGBWSA-N 281.406 2.513 10 40 CFCB O=C1c2ccccc2C(=O)C1(CO)c1ccc(Cl)cc1 59488879 DXHAYPJQDZHWFU-UHFFFAOYSA-N 286.714 2.649 10 40 CFCB Cc1cc(C)nc(NCc2ccc(N(C)C)cc2)n1 24054581 FXXDKCATBXIUMN-UHFFFAOYSA-N 256.353 2.772 10 40 CFCB O=C1/C(=C/c2ccco2)SC(=S)N1CN1CCCC1 59474376 UDWKGHQGHQRADL-FLIBITNWSA-N 294.401 2.534 10 40 CFCB CN(C(=O)CN1C=CC(=C(O)N=N)C=C1)C1CCCCC1 334161282 YATUUCVUTPCJHG-UHFFFAOYSA-N 290.367 2.921 10 40 CFCB Cc1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2)c1 290890 UTFRIBOOAYXWMS-AWEZNQCLSA-N 254.289 2.555 10 40 CFCB O=C(O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 3884567 ZHLRCPOFSPCJPL-UHFFFAOYSA-N 286.670 2.814 10 40 CFCB CCN1C(=O)/C(=C/Nc2ccccc2)SC1=S 12625460 PXBJDLPPRXOBIZ-NTMALXAHSA-N 264.375 2.820 10 40 CFCB CCCn1nccc1CNCc1ccc(N(C)C)cc1 159986167 YELZGICTOJFBHZ-UHFFFAOYSA-N 272.396 2.649 10 40 CFCB CCOC(=O)c1sc(SC)c(C(=O)OCC)c1O 481489 KTJAKAXEDBGSJJ-UHFFFAOYSA-N 290.362 2.529 10 40 CFCB Cc1ccoc1C(=O)N(C)Cc1ccc(N(C)C)cc1 23745046 VNSUTTUGYZENIG-UHFFFAOYSA-N 272.348 2.926 10 40 CFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NC(C)(C)C 95471456 AQULWFMLGSTDKP-UVTDQMKNSA-N 271.364 2.990 10 40 CFCB O=C(c1cc(O)cs1)N1CCc2ccc(F)cc21 102759828 NXYBIIHWLNAYKF-UHFFFAOYSA-N 263.293 2.796 10 40 CFCB Nc1ccc(CCNC(=O)/C=C/c2ccc(F)cc2)cc1 63129812 YIDCAHHSWOITMB-BJMVGYQFSA-N 284.334 2.780 10 40 CFCB CCOC(=O)c1oc2c(CN(C)C)c(O)ccc2c1C 4776269 WQCVRRLBWPWKFW-UHFFFAOYSA-N 277.320 2.685 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cnn(C)c1C 6527478 JQCBKEXSQGVFOQ-OQLLNIDSSA-N 280.331 2.535 10 40 CFCB CC(C)n1nccc1CNCc1ccc(N(C)C)cc1 256053157 QGUHDRUCMSOPHC-UHFFFAOYSA-N 272.396 2.820 10 40 CFCB CCOC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 20185846 VGQSWMDUEFTLON-UHFFFAOYSA-N 298.342 2.627 10 40 CFCB NN[C@@H](c1ccccc1)c1cc(Br)ccc1O 199534404 VDTKWEYBSQSJPK-ZDUSSCGKSA-N 293.164 2.707 10 40 CFCB CCOc1ccc(N(CC)CCCC(=O)O)cc1 224998886 TYIUOSGVEPIFFB-UHFFFAOYSA-N 251.326 2.776 10 40 CFCB O=C1c2ccccc2-c2onc3ccc(NCCCO)c1c23 2292835 OUUQOQLDGUZGAP-UHFFFAOYSA-N 294.310 2.834 10 40 CFCB COc1cccc(CNCc2ccc(F)s2)c1O 256054205 VKMFVEZTSBIJAX-UHFFFAOYSA-N 267.325 2.891 10 40 CFCB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(O)CN=[N+]=[N-] 72207872 XKIWOFSXLRYPKZ-BXKDBHETSA-N 272.349 2.597 10 40 CFCB COc1cc(/C=C\c2ccc(N(C)C)cc2)oc(=O)c1 5389536 KOKHVJWUVSEDCP-TWGQIWQCSA-N 271.316 2.885 10 40 CFCB CCO/C(C)=C1/C(=O)N(c2nc3ccccc3[nH]2)N=C1C 118096 CSMKFQXCAANAEG-JLHYYAGUSA-N 284.319 2.596 10 40 CFCB COCCCN1C(=O)/C(=C/c2cccs2)SC1=S 2315019 DWXHCVUPBSFIKN-NTMALXAHSA-N 299.442 2.986 10 40 CFCB CCc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 41078296 UIWRYEQZXLIKEL-YEIVOSTPSA-N 281.315 2.699 10 40 CFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c[nH]c2ccccc12 187045 MJWHROGCWPIPKO-UHFFFAOYSA-N 297.310 2.922 10 40 CFCB O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12 39320 ZJZSQGDOCUHCCW-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](C)(O)CN=[N+]=[N-] 72208009 YMLNSHJEYSSVOM-GWCFXTLKSA-N 284.360 2.837 10 40 CFCB Oc1ccc([C@H]2Nc3ccccc3C3=NCCCN32)cc1O 12144193 CSTXMSUVCFSLSM-INIZCTEOSA-N 295.342 2.674 10 40 CFCB O=C1/C(=C/c2ccco2)SC(=S)N1C[C@@H]1CCCO1 1450949 ZZNXBKIYVRFNAN-QBQSQJOESA-N 295.385 2.660 10 40 CFCB O=C1NN=C(C(F)(F)F)/C1=C/Nc1ccccc1Cl 100408744 TVYKPJDGBLQHDD-WAYWQWQTSA-N 289.644 2.684 10 40 CFCB CC(C)(C)OC(=O)NCc1c(O)ccc2ncccc12 96034717 WIMYXZYMVOZAQF-UHFFFAOYSA-N 274.320 2.965 10 40 CFCB Cc1cccc(N2CCN(c3ccc(N)cc3)CC2)c1 4649826 BWMZHVXXYOPLAK-UHFFFAOYSA-N 267.376 2.904 10 40 CFCB CC[C@@H](NC(=O)/C=C/c1ccnn1CC)c1ccccc1O 95445924 MBRZFFNCTTXPGL-BOLDSZDNSA-N 299.374 2.889 10 40 CFCB Cc1cc2c(c(C)c1O)C(=O)c1ccccc1C2=O 225769848 WVGIWASPAIGKMZ-UHFFFAOYSA-N 252.269 2.784 10 40 CFCB COc1cc(OC)c(N2CCC(=O)CC2)cc1Cl 19511419 YBERZWFCQPHSOK-UHFFFAOYSA-N 269.728 2.527 10 40 CFCB O=C1N=C(O)/C(=C/c2ccc[nH]2)C(=O)N1c1ccc(F)cc1 9058772 JOMLKGQUNVDHQN-WQLSENKSSA-N 299.261 2.661 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1 37858716 GNAMRRQHNXPNPG-BENRWUELSA-N 273.361 2.538 10 40 CFCB O=Cc1c[nH]c2cc3c(cc12)C(=O)c1ccccc1C3=O 4013917 DVIBAVWVHAJYFJ-UHFFFAOYSA-N 275.263 2.756 10 40 CFCB Cc1cccc(N2NC(=O)/C(=C/c3cccs3)C2=O)c1 4470672 SVDMAVQJNDAOAQ-LCYFTJDESA-N 284.340 2.518 10 40 CFCB CCCN(c1ccc(OC)cc1OC)[C@@H](CC)C(=O)O 225000542 FFLNGZMFYLCGKV-LBPRGKRZSA-N 281.352 2.783 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc[nH]1 12403945 GGZDMHAPFHRWSV-GXDHUFHOSA-N 251.289 2.821 10 40 CFCB Cc1cc(O)c(CN2CC[C@H](N3CCCC3)C2)cc1C 66081030 FEHWFIVOMZLXFY-INIZCTEOSA-N 274.408 2.679 10 40 CFCB O=Cc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 5048619 UJQSRNFBTUDKIJ-UHFFFAOYSA-N 270.671 2.928 10 40 CFCB CC1(C)CC(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)C1 102978345 MYIHHCUWXKCHDY-UHFFFAOYSA-N 298.338 2.646 10 40 CFCB Nc1ccc(Cc2nnc(-c3ccccc3)o2)cc1 19771740 LPWMNQNUDPPLBY-UHFFFAOYSA-N 251.289 2.910 10 40 CFCB CCN1C(=O)/C(=C\c2cccc(F)c2)C(C(=O)OC)=C1C 573214 ZPKUJLCPCDATAO-LCYFTJDESA-N 289.306 2.518 10 40 CFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1c(C)n[nH]c1C 100531037 GUYBVBZHNMNWID-IWHJNQCMSA-N 296.334 2.902 10 40 CFCB Cc1csc2nc(CSc3nccs3)cc(=O)n12 48874620 LZEDHMWSGFRVCD-UHFFFAOYSA-N 295.414 2.813 10 40 CFCB CCOC(=O)[C@H]1CCCN(Cc2cc(C)cc(C)c2O)C1 89983560 PQSUZUHWZAFUED-AWEZNQCLSA-N 291.391 2.784 10 40 CFCB CN(C)c1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1 239767 RUQDMQXUMPLGEC-NTCAYCPXSA-N 283.375 2.908 10 40 CFCB O=C1N=C(NC2CCCCC2)S/C1=C\c1cccnc1 7209175 YAZVPCQHDULLAG-LCYFTJDESA-N 287.388 2.974 10 40 CFCB Nc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1 6733665 OTGNHNIJKXEEPB-UHFFFAOYSA-N 279.299 2.820 10 40 CFCB N=C1NN2[C@@H]([CH]S[C@@H]2c2cc(Cl)ccc2O)S1 409416316 OUOBGRGRULHCBV-RKDXNWHRSA-N 286.789 2.767 10 40 CFCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)NC1=O 5033143 CLEBEOWBQWHQNG-HLPMDPMVSA-N 289.381 2.883 10 40 CFCB O=C1c2ccccc2C(=O)C1Cc1ccc([N+](=O)[O-])cc1 100497122 URTYSQFMSKPDEQ-UHFFFAOYSA-N 281.267 2.833 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\NCC(C)C 75284310 GYQGXVBCYNFFDG-UVTDQMKNSA-N 257.337 2.539 10 40 CFCB CN(C)c1ccc(CNCc2ccn(CC(F)F)n2)cc1 256053393 RGGYCYCGOKFTFN-UHFFFAOYSA-N 294.349 2.504 10 40 CFCB COC(=O)c1sc2nc3c(cc2c1N)C[C@H](C)CC3 35141 LSPHVLFGSDPLGF-SSDOTTSWSA-N 276.361 2.790 10 40 CFCB O=C1c2ccccc2C(=O)c2c(O)c(Cl)cc(O)c21 4404481 UJCPMVFRZRPROL-UHFFFAOYSA-N 274.659 2.527 10 40 CFCB CC(C)(C)OC(=O)NCCCc1ccc(N)cc1 32105423 FINXOGYWGUOYQV-UHFFFAOYSA-N 250.342 2.726 10 40 CFCB [N-]=[N+]=NCC(=O)Nc1ccc(Br)cc1F 100021914 UYFNOYGEJQHFPU-UHFFFAOYSA-N 273.065 2.837 10 40 CFCB CC[C@@H](NC(=O)c1ccn2cncc2c1)c1ccccc1O 95445916 KYTQCAKAAHLWNE-OAHLLOKOSA-N 295.342 2.921 10 40 CFCB CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(O)c1 30542675 FXQZNQGOFZLLRM-HNNXBMFYSA-N 284.315 2.684 10 40 CFCB Cc1ccc(/N=N/c2c(N)n[nH]c2N)cc1Cl 101637745 GLBUZRJNJKNLMM-CCEZHUSRSA-N 250.693 2.951 10 40 CFCB CC(=O)OC1(c2ccccc2)C(=O)c2ccccc2C1=O 3153770 KKWWLKLECIOVFY-UHFFFAOYSA-N 280.279 2.524 10 40 CFCB Nc1ccc(OC[C@@H]2COc3cscc3O2)cc1 1857791578 PFAAKCSLBSAWNC-LLVKDONJSA-N 263.318 2.549 10 40 CFCB Cc1ccc(C)n1-c1ccc(-c2ccn(CCO)n2)cc1 1386321 QBMAPSGIXXUYSG-UHFFFAOYSA-N 281.359 2.950 10 40 CFCB CN(Cc1ccccc1O)C(=O)c1ccc(NC2CC2)nc1 58307569 QXABHXUVOPMRLN-UHFFFAOYSA-N 297.358 2.634 10 40 CFCB Oc1ccc(-c2cnc3cc(F)c(F)cc3n2)c(O)c1O 4770551 NZMASTCYUZMUMS-UHFFFAOYSA-N 290.225 2.692 10 40 CFCB CCOc1ccccc1/C=C1\SC(=S)N(C)C1=O 409349651 VSKJCCDFZQKAHG-FLIBITNWSA-N 279.386 2.916 10 40 CFCB c1cnn(CCNCc2ccc(N3CCCCC3)cc2)c1 48449596 RDRWPPMINXHQMB-UHFFFAOYSA-N 284.407 2.663 10 40 CFCB CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 4471569 ZDJMIUOIMMBUQG-RMKNXTFCSA-N 253.323 2.657 10 40 CFCB CCOC(=O)c1nc[nH]c1/N=N/c1ccc(O)cc1OC 6693795 BASRHZFXIXKNFO-WUKNDPDISA-N 290.279 2.716 10 40 CFCB Cc1ccc(N(Cc2ccc(N)cc2)S(C)(=O)=O)cc1 225403389 HYZKFZOKXBTGJK-UHFFFAOYSA-N 290.388 2.543 10 40 CFCB Oc1c(Cl)cc(Cl)cc1CNCCN1CCCC1 20126919 ZEYWUKNUGIIARQ-UHFFFAOYSA-N 289.206 2.884 10 40 CFCB Oc1cc(F)ccc1CNc1ncccc1-c1ncccn1 95920687 YTVDOVJPKJLMHL-UHFFFAOYSA-N 296.305 2.995 10 40 CFCB in-vitro O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12 57915 HJCIUNMVLYBADX-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic,in-vitro Cc1cc(O)ccc1NS(=O)(=O)c1ccccc1C 383765 HRXWOLSNNBWOMR-UHFFFAOYSA-N 277.345 2.810 10 40 CFCB CC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 167717 OLBAGJDDSBANJY-UHFFFAOYSA-N 289.290 2.917 10 40 CFCB biogenic Oc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1 2824 JYTKPSXFNOBXQJ-LLVKDONJSA-N 258.273 2.522 10 40 CFCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)NC2=O)cc1 22114964 LFTAFBAOCZPNGN-FOWTUZBSSA-N 291.354 2.670 10 40 CFCB C[C@@H]1CN(C2=NC(=O)C(=C3CCCCC3)S2)C[C@@H](C)O1 93158 PWIFQIZXXNHEHG-GHMZBOCLSA-N 294.420 2.943 10 40 CFCB CCCN(Cc1ccccc1O)S(=O)(=O)[C@@H](C)CC 95432968 VBLHQSHVAAAYIX-LBPRGKRZSA-N 285.409 2.733 10 40 CFCB CC(=O)Nc1cc(CN2CCCCC2)c(O)c2ncccc12 1717584 KCCMIWWVDARKLM-UHFFFAOYSA-N 299.374 2.885 10 40 CFCB in-vitro COc1ccccc1-c1noc(Cc2ccc(N)cc2)n1 19771977 NTMQNWIIUYTMSF-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB Oc1ccc(/N=N\c2nc(C(F)(F)F)n[nH]2)cc1 102875652 RBNKFODPVNTZFV-PEZBUJJGSA-N 257.175 2.945 10 40 CFCB CCONC(=O)NCc1ccc(N2CCC(C)CC2)cc1 163077915 BZJLVTQFISRONU-UHFFFAOYSA-N 291.395 2.674 10 40 CFCB Cn1cc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cn1 58310076 NGHUWLWSVAYHJH-UHFFFAOYSA-N 288.332 2.698 10 40 CFCB O=C(O)/C=C/c1ccc(N(CCF)CCF)cc1 1730505 LPQKXKSZIYNKSF-ZZXKWVIFSA-N 255.264 2.530 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)SC1=S 1013885 FNSPIYWXLTXJCK-XFFZJAGNSA-N 295.385 2.622 10 40 CFCB Cc1cc(O)c(CN2CCC([C@@H](C)O)CC2)cc1C 95400110 CZGRBULMLIFGDF-CYBMUJFWSA-N 263.381 2.602 10 40 CFCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1F 97058365 MVXMQKDGNJDGHT-UHFFFAOYSA-N 299.298 2.780 10 40 CFCB O=C1NC(=S)S/C1=C/c1ccc(O)c(Cl)c1 209250739 HBQASEGZXOTHNB-XBXARRHUSA-N 271.750 2.534 10 40 CFCB CC[C@]1(C)Cc2nc3sc(C(=O)O)c(N)c3cc2CO1 20462941 JURUVSLRDOZYPV-CQSZACIVSA-N 292.360 2.818 10 40 CFCB COc1ccc(N2CNC(=S)N(c3ccccc3)C2)cc1 122878 HBSSTMZUMWBNNG-UHFFFAOYSA-N 299.399 2.811 10 40 CFCB CCCc1nnc2n1N[C@@H](c1ccc(N(C)C)cc1)S2 8691812 WUAJUQRBKKWMFN-CYBMUJFWSA-N 289.408 2.645 10 40 CFCB OC[C@]1(NCc2ccc3c(c2)CCO3)CCc2ccccc21 95429776 WPKCANWHDKXZSZ-LJQANCHMSA-N 295.382 2.545 10 40 CFCB C[C@@H]1Nc2ccccc2[C@H]1/C=C1\SC(=S)NC1=O 17007619 JXBGQGJBAFNIKX-PJOGQTHISA-N 276.386 2.616 10 40 CFCB Cc1ccc(N=N[C@H]2C(=O)NN(c3ccccc3)C2=O)cc1 245239249 GUYUPWKVBCLPRK-AWEZNQCLSA-N 294.314 2.525 10 40 CFCB CN1C(=O)/C(=C\NC(C)(C)C)C=C1c1ccccc1 18130318 FTHKSDKJIXUIGL-QBFSEMIESA-N 256.349 2.772 10 40 CFCB COc1cc(N(C)CC(F)(F)F)cc(OC)c1OC 96424741 CSQJPKVKCXXYQR-UHFFFAOYSA-N 279.258 2.711 10 40 CFCB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)cc1 5234378 WUCJZZNNENRFNX-UHFFFAOYSA-N 281.308 2.641 10 40 CFCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CC1 49411823 HQFUKZOMKVHXBQ-UHFFFAOYSA-N 258.365 2.703 10 40 CFCB N=C1NN2[C@H]([CH]S[C@H]2c2cc(Cl)ccc2O)S1 409416315 OUOBGRGRULHCBV-IUCAKERBSA-N 286.789 2.767 10 40 CFCB C[C@@]1(c2cc(Cl)ccc2O)NN=C2CCCCC2=[N+]1[O-] 5211870 ZERPBGYFYINPFQ-CQSZACIVSA-N 293.754 2.703 10 40 CFCB CCCN(c1ccc(OC)cc1)[C@H](CC)C(=O)O 260677457 FRTLQOMMRSDBNE-CYBMUJFWSA-N 251.326 2.775 10 40 CFCB CC(=O)c1ccc2c(c1)-c1ccccc1C(=O)C2=O 1593462 PWIQTGILSVGIFX-UHFFFAOYSA-N 250.253 2.935 10 40 CFCB CCCN(CCC)/N=N\c1c(C(=O)OC)n[nH]c1C 104106127 WAZQYJPTLFCVMM-NXVVXOECSA-N 267.333 2.625 10 40 CFCB Cc1cccc(NC2=NC(=O)/C(=C/c3ncc[nH]3)S2)c1 71888697 SYTXZPOOICBGTN-FLIBITNWSA-N 284.344 2.801 10 40 CFCB Cn1cccc1/C=C1/SC(Nc2ccccn2)=NC1=O 5374462 LXDUAIQEMGLWCY-PKNBQFBNSA-N 284.344 2.503 10 40 CFCB O=C(CSc1nccs1)NC(=O)Nc1ccccc1 48874966 ZDCXXXYLZRNLKP-UHFFFAOYSA-N 293.373 2.584 10 40 CFCB Nc1ccc(CCC(=O)NCCc2ccccc2)cc1 20186588 ZYVYUMIOGLZTPB-UHFFFAOYSA-N 268.360 2.560 10 40 CFCB CCN(CC)c1ccc(CN[C@@H](C(=O)O)C(C)C)cc1 43430157 GEGVXLYBNBVUPI-OAHLLOKOSA-N 278.396 2.732 10 40 CFCB O=C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 19428449 JYWJACOTBDYONF-UHFFFAOYSA-N 259.227 2.755 10 40 CFCB CC(C)n1ccc(CNCc2ccc(N(C)C)cc2)n1 256052552 NUHYYYLLAUMTHI-UHFFFAOYSA-N 272.396 2.820 10 40 CFCB CCCN1C(=O)/C(=C\c2ccccn2)SC1=S 12543736 IWHIJRYMPOVXTA-CSKARUKUSA-N 264.375 2.693 10 40 CFCB [N-]=[N+]=NC[C@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 1889006677 NQUURIPQLCMKQJ-SECBINFHSA-N 266.251 2.624 10 40 CFCB COC(=O)c1cc(C)ccc1Oc1ccc(N)cn1 5728554 WDHBYNZIRXGEFG-UHFFFAOYSA-N 258.277 2.551 10 40 CFCB COc1ccc(CCNCc2ccccc2O)cc1OC 4932679 DVWHVPFVGDDNEB-UHFFFAOYSA-N 287.359 2.742 10 40 CFCB Clc1cccc(-c2noc(-c3csnn3)n2)c1 1212362168 PKMLHJYELGYUBD-UHFFFAOYSA-N 264.697 2.909 10 40 CFCB COc1cc(OC)cc(-n2c(C)cc(C=O)c2C)c1 19806619 KYSUQDWARSWPQP-UHFFFAOYSA-N 259.305 2.924 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)NCCCN(C)C)cc1 9368238 NUEADSWFRMEYNZ-UHFFFAOYSA-N 299.418 2.776 10 40 CFCB CCOc1ccc(N2CCN[C@@H]3CCCC[C@@H]32)cc1 225713164 AMMQQQRSAJNFHC-CVEARBPZSA-N 260.381 2.806 10 40 CFCB c1ccc(CN2Cc3ccc(N4CCNCC4)cc3C2)cc1 9873791 MHBNQCJBKZSCEC-UHFFFAOYSA-N 293.414 2.612 10 40 CFCB Cc1ccc2c(c1)C(=O)c1cc3c(cc1C2=O)OCCO3 35327169 ONICPGVJAJODNY-UHFFFAOYSA-N 280.279 2.542 10 40 CFCB CC(C)N1CCC(NCc2ccc(N(C)C)cc2)CC1 20188925 QAFBBMRATMCNCF-UHFFFAOYSA-N 275.440 2.715 10 40 CFCB O=C1c2ccccc2C(=O)C12O[C@@H]2c1cccc(F)c1 377758 MWQVNFKDIGTJAN-OAHLLOKOSA-N 268.243 2.715 10 40 CFCB O=C(O)CCN1C(=O)C(=C2CCCCCC2)SC1=S 1261114 OJSYQBBXPIPBGL-UHFFFAOYSA-N 299.417 2.930 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 12540251 IOVPTIVDNHDPNR-CQSZACIVSA-N 258.365 2.725 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)NC2CC2)cc1 10037819 MWTVOUOUAGGLQV-UHFFFAOYSA-N 254.333 2.986 10 40 CFCB Cc1ccc(-n2c(C)cc(CO)c2C)cc1[N+](=O)[O-] 223712712 LHYTVPSNSKUVGS-UHFFFAOYSA-N 260.293 2.803 10 40 CFCB Oc1ccccc1CN1c2ccccc2[C@@H]2C[C@H]1[C@H](O)CO2 585261328 GOXULNTWDFXCMZ-JQHSSLGASA-N 297.354 2.603 10 40 CFCB COc1ccc(Cl)c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 20242692 GFAATJGDWAOIDJ-LWINAJNOSA-N 279.723 2.887 10 40 CFCB CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 48605378 NLFDNIHRQBBJJX-VHEBQXMUSA-N 282.303 2.787 10 40 CFCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccnc1 16711664 GCULJEQYMYUVOG-KPKJPENVSA-N 299.380 2.882 10 40 CFCB Cc1c(OCc2ccccc2)ccc([C@H](C)NN)c1O 199536700 KATOWSZJBACDPO-LBPRGKRZSA-N 272.348 2.804 10 40 CFCB O=C1C(=O)c2c(nc3ccccc3c2O)-c2ccccc21 255189843 SMLXPCBXZXZAPS-UHFFFAOYSA-N 275.263 2.986 10 40 CFCB COc1cccc(CNCc2ccc(F)cc2F)c1O 40477123 VBUAIXHKTNHEFY-UHFFFAOYSA-N 279.286 2.969 10 40 CFCB COc1ccc(N(C)Cc2c(C)noc2C)cc1OC 49333582 SMKLHTAIPAIWGC-UHFFFAOYSA-N 276.336 2.945 10 40 CFCB CC(C)Cn1cc(CNCc2ccc(N(C)C)cc2)cn1 256052472 NLUOBNGJQAAQCI-UHFFFAOYSA-N 286.423 2.895 10 40 CFCB c1cc(CNCc2ccc3c(c2)CCO3)c2c(c1)OCO2 40667256 PGGBIDUVWPNEKB-UHFFFAOYSA-N 283.327 2.640 10 40 CFCB CN/C(C)=C(/C(=O)Nc1ccccc1)c1cc(O)ccc1O 1237294 NZDVWCZNSRMMRP-LFIBNONCSA-N 298.342 2.687 10 40 CFCB Oc1ccc2ccccc2c1CN1CCC[C@H](O)C1 7011661 VILKJYVGSKHXON-ZDUSSCGKSA-N 257.333 2.502 10 40 CFCB O=C1CSc2ccc3c(c2N1)C(=O)c1ccccc1C3=O 3845281 JFSSOFKBCUTWIO-UHFFFAOYSA-N 295.319 2.506 10 40 CFCB biogenic O=C1NC(=S)S/C1=C\c1c(F)cccc1Cl 12339027 KBELKNAFHSPQRM-YWEYNIOJSA-N 273.741 2.968 10 40 CFCB in-vitro COc1ccc([C@@H]2CC(c3ccc(OC)cc3O)=NN2)cc1 378877 FGLBJVVPLTVNAD-HNNXBMFYSA-N 298.342 2.848 10 40 CFCB O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 6092199 PVFGJHYLIHMCQD-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic,in-vivo COc1ccc(CCNCc2ccccc2O)cc1 6787324 LQWKWTBJJOWQKM-UHFFFAOYSA-N 257.333 2.733 10 40 CFCB CN(C)c1ccc([C@@H]2SC=C3SC(N)=NN32)cc1 1409872 SMJCVSDZUXCMQN-NSHDSACASA-N 278.406 2.575 10 40 CFCB COC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 3906513 GTCKJXWUHLBZSE-UHFFFAOYSA-N 281.267 2.640 10 40 CFCB COc1cc2c(cc1OC)-n1c(C)ccc1CNC2=S 15109256 UPBMQVKGBZAAPT-UHFFFAOYSA-N 288.372 2.582 10 40 CFCB Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccc2c(c1)OCO2 3407861 YVGAXCXQCGOXLW-ZZXKWVIFSA-N 285.299 2.921 10 40 CFCB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(O)CN=[N+]=[N-] 72208007 YMLNSHJEYSSVOM-GXFFZTMASA-N 284.360 2.837 10 40 CFCB COC(=O)/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5393809 RFFDBKLGIPRZHJ-SOFGYWHQSA-N 290.319 2.771 10 40 CFCB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc3c(c2)CCO3)c1 69458731 TYHHQEFLQBMPCE-ZIAGYGMSSA-N 285.391 2.866 10 40 CFCB CCc1ccc(/C=C2\C(=O)N(CC)C(C)=C2C(=O)OC)cc1 409065186 DWXDEMQLDGXDMZ-PTNGSMBKSA-N 299.370 2.942 10 40 CFCB c1cc([C@@H]2CCN(Cc3ccc(N4CCCC4)cc3)C2)[nH]n1 257321995 WEFKGISXFIAWPJ-MRXNPFEDSA-N 296.418 2.999 10 40 CFCB O=c1[nH]c(-c2sc3ncccc3c2O)nc2ccccc12 24926908 OREUTQAGFOUKSO-UHFFFAOYSA-N 295.323 2.905 10 40 CFCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Cl)cc1 12020399 CEEJRNZCRWQPIN-UHFFFAOYSA-N 291.690 2.996 10 40 CFCB Cc1cc(C(=O)O)c(C)n1-c1ccc2c(c1)OCCO2 19805148 JEPFDDTWSVDERC-UHFFFAOYSA-N 273.288 2.564 10 40 CFCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C=O)cc1 66091593 RHTITGVOEOXIQJ-MRXNPFEDSA-N 296.326 2.708 10 40 CFCB CCN(/C=C1\SC(=S)N(Cc2ccco2)C1=O)CC 618255061 PBBGDIFKCOTQBJ-LUAWRHEFSA-N 296.417 2.823 10 40 CFCB Oc1ccc(CNc2cnccc2Cl)cc1O 83383869 MWRXDUNWECVBJX-UHFFFAOYSA-N 250.685 2.758 10 40 CFCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccccn1 32914720 ZQHCOBCBXVXBSO-UHFFFAOYSA-N 281.359 2.612 10 40 CFCB CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 6001684 QYVWTVHCDJCYOA-RMKNXTFCSA-N 253.323 2.657 10 40 CFCB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N)cc1 19736396 LHRLGRXZDKZHES-LLVKDONJSA-N 256.305 2.675 10 40 CFCB COc1ccc(/C=C2\SC(=O)NC2=S)cc1OC 13496623 UNLUXMVRBXQCJB-POHAHGRESA-N 281.358 2.829 10 40 CFCB CN(Cc1ccc(N(C)C)cc1)Cc1ccccn1 89326542 ZTNXZAMSVCTVJS-UHFFFAOYSA-N 255.365 2.780 10 40 CFCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccnc1 46710006 OORSACPQFNTABM-UHFFFAOYSA-N 281.359 2.612 10 40 CFCB O=C(O)[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]12 4959623 REGZZMYIDMVSBE-VDDIYKPWSA-N 294.148 2.988 10 40 CFCB Cc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1[N+](=O)[O-] 33313383 GHYCNPSYPOXTQP-POHAHGRESA-N 294.357 2.734 10 40 CFCB CCN1C(=O)/C(=C/c2ccsc2)SC1=S 5509707 FRKHQFXVCQKMQC-YVMONPNESA-N 255.389 2.969 10 40 CFCB CS(C)(=O)=Nc1cccc2c1C(=O)c1ccccc1C2=O 5919020 ODNWFICVLPJKBZ-UHFFFAOYSA-N 299.351 2.821 10 40 CFCB CC(=O)OCc1cc2c(s1)C(=O)c1sccc1C2=O 1635068 XMLWMBFZLBAVFQ-UHFFFAOYSA-N 292.337 2.648 10 40 CFCB COc1ccc(C(=[N+]=[N-])c2ccc(OC)cc2)cc1 4914577 OWRNAWGCEAUIOY-UHFFFAOYSA-N 254.289 2.771 10 40 CFCB COc1ccc(N2CCN(c3ccc(C)cc3N)CC2)cc1 256049514 AGYLKILPUVLSGQ-UHFFFAOYSA-N 297.402 2.912 10 40 CFCB Cc1cc2c(cc1C)C(=O)c1cc3c(cc1C2=O)OCO3 5759654 DJRJCEKUWKBYFX-UHFFFAOYSA-N 280.279 2.808 10 40 CFCB CC[C@@]1(C)Cc2nc3sc(C(=O)O)c(N)c3cc2CO1 20462937 JURUVSLRDOZYPV-AWEZNQCLSA-N 292.360 2.818 10 40 CFCB COCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260800723 VQMOYHJRDDBSAH-KBPBESRZSA-N 290.407 2.747 10 40 CFCB Cc1cccc(Cl)c1/N=N/c1c(N)nc(N)nc1O 16952189 AHDOJZQQOFMZEP-ISLYRVAYSA-N 278.703 2.724 10 40 CFCB COc1cc(C=O)cc(CN(C)C2CCCCC2)c1O 216832393 DRODVPZCWRVIMI-UHFFFAOYSA-N 277.364 2.978 10 40 CFCB CCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 16989661 LBJYJHHJHSDGLV-KAMYIIQDSA-N 257.337 2.683 10 40 CFCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 359883 LTISVXNMVISIBC-UVTDQMKNSA-N 298.729 2.801 10 40 CFCB CC[C@@H](C)N/C=C1\C(=O)N(c2ccccc2)N=C1C 109024 MQGYNDXHDIXZLI-UXEDPAHQSA-N 257.337 2.681 10 40 CFCB CCOC(=O)C(/N=N/c1ccc(O)cc1)=C(\C)O 104136497 LHCCVJIVDUBHRD-KBABRGLLSA-N 250.254 2.829 10 40 CFCB CCOC(=O)c1cn[nH]c1/N=N/c1ccc(O)cc1OC 4817978 SCWRCHCMQKXJRU-BMRADRMJSA-N 290.279 2.716 10 40 CFCB N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC=NN12 19881804 QVUPYJBJSXLFPY-DKVUJQLHSA-N 290.735 2.589 10 40 CFCB CCO/C=C1/SC(=S)N(c2ccco2)C1=O 5807840 YSGHLGQKWYNVBL-VOTSOKGWSA-N 255.320 2.522 10 40 CFCB Cc1c(C=C2C(=O)OC(C)(C)OC2=O)c2ccccc2n1C 367544 UWRYCXLQPUJXFC-UHFFFAOYSA-N 299.326 2.706 10 40 CFCB CCOc1nc(N)nc(C)c1/N=N/c1ccc(O)cc1 104236200 JSNNXRFXJTZIAZ-ISLYRVAYSA-N 273.296 2.887 10 40 CFCB Cn1cccc1C1=NN=C(Nc2ccccc2)SC1 12742277 LDYCWKSPYFNDDI-UHFFFAOYSA-N 270.361 2.944 10 40 CFCB C[C@H]1Oc2cc(-c3ccc(O)c(O)c3)oc(=O)c2C1(C)C 14691670 ONBNNXIPKYXCPC-MRVPVSSYSA-N 288.299 2.777 10 40 CFCB biogenic Nc1ccc(CCc2nc3cc(N)ccc3o2)cc1 241753 FRQHRMYHNCCGGV-UHFFFAOYSA-N 253.305 2.777 10 40 CFCB Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1O 95428551 MXJIFOLKLBVLAV-UHFFFAOYSA-N 295.335 2.949 10 40 CFCB O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(F)c1 97048428 YFWDAYOVYYIKHP-UHFFFAOYSA-N 295.697 2.820 10 40 CFCB Cc1cc(C)n(-c2cncc(Sc3nccs3)n2)n1 92621831 YLXSQNIXYNMCBN-UHFFFAOYSA-N 289.389 2.887 10 40 CFCB CCOC(=O)/C(=C\c1ccc(N(C)C)cc1)N(CC)CC 5499348 XVPXRVPMLURFFP-DTQAZKPQSA-N 290.407 2.998 10 40 CFCB Cc1ccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)cc1C 1889014780 ZXDOFPQPOIWDEX-CYBMUJFWSA-N 258.325 2.962 10 40 CFCB Cc1c(C)c([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O 6483140 YHEAZSDRUOKHIW-UHFFFAOYSA-N 296.282 2.569 10 40 CFCB COc1cc(N(C)Cc2cc(C)no2)cc(OC)c1OC 96424542 MQSGIYLQQLCHNU-UHFFFAOYSA-N 292.335 2.645 10 40 CFCB COc1ccc(O)c([C@@H](C)NCc2c(C)n[nH]c2C)c1 585139881 BFCIWYRSGXRCHO-SECBINFHSA-N 275.352 2.592 10 40 CFCB Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c(C)o1 15832730 CQKGLVSXSJKVRG-UHFFFAOYSA-N 272.348 2.892 10 40 CFCB COc1ccc(N/C=C2\C(=O)NN=C2c2ccccc2)cc1 100363631 UBWQNQVAKPXAMP-PTNGSMBKSA-N 293.326 2.525 10 40 CFCB Oc1ccc(Cl)cc1C1=NN[C@H](c2cccnc2)C1 529496 SVETYCVPJQIWFK-LBPRGKRZSA-N 273.723 2.879 10 40 CFCB CCOC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]12 4140588 JCIUGLPPPINZFD-WDMOLILDSA-N 288.303 2.612 10 40 CFCB Cc1cc(C(=O)O)c(C)n1-c1ccc(Br)cn1 34938952 JYEGSKXXYCHKCU-UHFFFAOYSA-N 295.136 2.950 10 40 CFCB CCc1cc(=O)oc2c(CNCc3ccco3)c(O)ccc12 9134082 VNZBGDOWOIHRGM-UHFFFAOYSA-N 299.326 2.944 10 40 CFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC1CC1 96602829 ULAABAFEHXIGCM-GXDHUFHOSA-N 287.338 2.964 10 40 CFCB COc1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1 45886716 GRIYSJHVDZIMLG-UHFFFAOYSA-N 281.268 2.502 10 40 CFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Cl 359155 VEBASGXAFMQOLL-JLHYYAGUSA-N 298.729 2.801 10 40 CFCB C[C@@H]1C[C@H]2c3cccc4c3c(cn4CO)C[C@@H]2N(C)C1 6266351 ZRSYFDQOVJPDJB-WPGHFRTFSA-N 270.376 2.571 10 40 CFCB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC(=O)O 223827730 OWEXNVFTEQXGJO-JTQLQIEISA-N 263.337 2.872 10 40 CFCB NC(=S)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1 252488795 IZDHQUQIASQANP-OAHLLOKOSA-N 297.383 2.787 10 40 CFCB CC(=O)Nc1ccc(NCc2ccccc2O)cc1 257151 YAEFACLGXQYJGQ-UHFFFAOYSA-N 256.305 2.963 10 40 CFCB CC(=O)OCCC/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] 4823060 ZVWZKEKGFJNCNL-RVDMUPIBSA-N 292.335 2.714 10 40 CFCB O=C(O)CCN1C(=O)/C(=C/[C@@H]2CC=CCC2)SC1=S 5830286 HTLXXFIVEOKRQN-URLRMUCDSA-N 297.401 2.562 10 40 CFCB Cc1cc(CNC(=O)Cc2ccccc2O)ccc1N(C)C 75140833 XXDZKRNLCMZSBD-UHFFFAOYSA-N 298.386 2.626 10 40 CFCB CCN(C(=O)/C=C/c1cnccn1)c1ccccc1 40554143 VMXOWTOSDGUOGE-CMDGGOBGSA-N 253.305 2.543 10 40 CFCB CC(C)(C)[C@@]1(O)CN(c2ccccc2)C2=[N+]1CCCS2 3226881 FERUFWIXUBTLBN-INIZCTEOSA-N 291.440 2.747 10 40 CFCB Cc1cc(O)c(CN(C)[C@@H]2CCN(C)[C@H](C)C2)cc1C 93644181 XLHUNOZTGQWCHW-GDBMZVCRSA-N 276.424 2.924 10 40 CFCB CCN(CC)c1ccc(/C=C2/SC(=O)NC2=O)c(O)c1 5261333 CRRHSTJCJCPYGO-KPKJPENVSA-N 292.360 2.562 10 40 CFCB CN(C)c1ccc(CNC(=O)Cc2cccs2)cc1F 58441474 KMCHTMKMGAZJAR-UHFFFAOYSA-N 292.379 2.812 10 40 CFCB CCOC(=O)C(/N=N/c1ccc(O)cc1)=C(/C)O 104136501 LHCCVJIVDUBHRD-ZOBWXTBZSA-N 250.254 2.829 10 40 CFCB CN(C)c1ccc([C@H](Cc2ccccc2)NCCO)cc1 1666307 VFUWFRYDGAVPAO-SFHVURJKSA-N 284.403 2.618 10 40 CFCB CN(C)c1ccc(CNC(=O)C(C)(C)C)cc1F 58390893 RQSMPRGEXSDBFF-UHFFFAOYSA-N 252.333 2.554 10 40 CFCB C/C(=C1/SC(=S)NC1=O)c1ccc(Cl)c(O)c1 5502446 LMXHQXJTJXHYKD-UITAMQMPSA-N 285.777 2.925 10 40 CFCB Nc1c(C(=O)O)sc2nc3c(cc12)CCCCC3 19203203 DUIJLHWEIXOLBQ-UHFFFAOYSA-N 262.334 2.846 10 40 CFCB c1ccc(-c2c[n+]3ccccc3c3cccc[n+]23)cc1 245480 MOBHWGVIDVXITO-UHFFFAOYSA-N 258.324 2.831 10 40 CFCB Cc1ncc(CN(C)Cc2cc([N+](=O)[O-])ccc2O)s1 69589591 QIWVUVIOKSJUMP-UHFFFAOYSA-N 293.348 2.697 10 40 CFCB CCCN1C(=N)/C(=C/c2ccc(OC)cc2)C(O)=NC1=O 33469817 PYQUYFTXKRTPQM-OSDDNURYSA-N 287.319 2.858 10 40 CFCB Cc1nc(N)nc(C)c1/N=N\c1ccccc1[N+](=O)[O-] 16930778 ZLNYIKQXDFBPKR-MSUUIHNZSA-N 272.268 2.999 10 40 CFCB O=C1c2ccccc2C(=O)C1Cc1ccc(Cl)nc1 408732392 QOAHGWHJELUTOH-UHFFFAOYSA-N 271.703 2.973 10 40 CFCB O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC=CCC1 521396316 LVVYZHYDAULNBR-CYBMUJFWSA-N 282.343 2.913 10 40 CFCB Nc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 8030979 FEFYCXTXTLNRTM-UHFFFAOYSA-N 281.403 2.634 10 40 CFCB CCn1ncc(-c2ccn(-c3ccc(N)cc3)n2)c1C 12396528 HCEDCZRIDVLHRB-UHFFFAOYSA-N 267.336 2.646 10 40 CFCB CN(C)Cc1c(O)ccc2cc(-c3ccccn3)c(=O)oc12 5737587 XEODWXZQCVCVJL-UHFFFAOYSA-N 296.326 2.622 10 40 CFCB COC(=O)CN1c2ccc(OC)cc2[C@H](C)CC1(C)C 260725538 XWJHBHQGLDCAQO-LLVKDONJSA-N 277.364 2.960 10 40 CFCB Nc1ccc(C[C@@H]2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1 1547139867 CBVGYKIYIAYXTO-BZSNNMDCSA-N 282.387 2.666 10 40 CFCB CC1CCN(Cc2c(O)ccc3c2CCC(=O)N3)CC1 15525093 GXEMRDCFTQYSQJ-UHFFFAOYSA-N 274.364 2.509 10 40 CFCB CCN1C(=O)/C(=C/c2ccccc2O)SC1=S 1518723 CRSOOYGTUYGUSS-YFHOEESVSA-N 265.359 2.613 10 40 CFCB Cc1cc(O)c(CN(C)[C@H]2CCN(C)[C@H](C)C2)cc1C 93644182 XLHUNOZTGQWCHW-ZBFHGGJFSA-N 276.424 2.924 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccccn1 102570285 PHUIGAWRIZROFM-SDNWHVSQSA-N 278.315 2.800 10 40 CFCB CN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C 34183254 RFLBWARNKVMNSZ-UHFFFAOYSA-N 250.342 2.678 10 40 CFCB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3)C2=O)cc1C 438221 MRGLUMJTMIZADO-LFIBNONCSA-N 292.338 2.765 10 40 CFCB CN1C(S)=NC(C)(C)C[C@]1(C)c1ccc(O)cc1O 8684147 FXTWMGAPFQYDAE-CQSZACIVSA-N 280.393 2.713 10 40 CFCB COc1cc(Cl)c(N2CCCC2)c([N+](=O)[O-])c1 45886324 URVWVMGPBDQGPP-UHFFFAOYSA-N 256.689 2.857 10 40 CFCB CC(C)(C)c1ccc2c(N)c(C(=O)O)sc2n1 59606834 LFWLNZYIXHDPGF-UHFFFAOYSA-N 250.323 2.874 10 40 CFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccs1 32125500 FTDVBYNMQSOATI-WQLSENKSSA-N 291.372 2.829 10 40 CFCB CC(C)(C)OC(=O)N1CCCN(c2ccc(N)cc2)CC1 38478288 HLPLRLFCSHYRPH-UHFFFAOYSA-N 291.395 2.716 10 40 CFCB COc1ccc(-n2c(C)cc(C(=O)O)c2C)cc1OC 19401712 IPUIABHWWKQOOV-UHFFFAOYSA-N 275.304 2.810 10 40 CFCB Cc1c(F)cccc1S(=O)(=O)Nc1ccc(O)cc1F 184621600 CUQPUPOPYFTPJQ-UHFFFAOYSA-N 299.298 2.780 10 40 CFCB COC(=O)c1sc2nc(-c3ccccn3)ccc2c1N 13625546 NBIQVWKEBRDVSQ-UHFFFAOYSA-N 285.328 2.727 10 40 CFCB CCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1O 1206914 IPUWSWJKHFNHHA-JXMROGBWSA-N 295.385 2.622 10 40 CFCB CCOc1ccc(N2CCN[C@@H]3CCCC[C@H]32)cc1 218833573 AMMQQQRSAJNFHC-HZPDHXFCSA-N 260.381 2.806 10 40 CFCB Cc1ccc(C)n1-c1cc(Br)n(C)n1 82014264 GNNTXRDKXGNTGJ-UHFFFAOYSA-N 254.131 2.590 10 40 CFCB OC[C@@]1(NCc2ccc3c(c2)CCO3)CCc2ccccc21 95429775 WPKCANWHDKXZSZ-IBGZPJMESA-N 295.382 2.545 10 40 CFCB Cc1ccc([C@H]2O[C@]2(C(=O)C=[N+]=[N-])c2ccccc2)cc1 5568094 ZVOZVRJWLRUPSR-SJORKVTESA-N 278.311 2.832 10 40 CFCB COc1ccc(N(CCC(N)=O)CCc2ccccc2)cc1 14703214 FAWVLXUJLICZMZ-UHFFFAOYSA-N 298.386 2.620 10 40 CFCB COc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 12545150 PUAVKMADMPRDRN-UHFFFAOYSA-N 284.359 2.691 10 40 CFCB Cc1ccc([N+](=O)[O-])cc1C(=O)C(=O)c1ccccc1 18194155 UZBBMDJUOYCUTB-UHFFFAOYSA-N 269.256 2.969 10 40 CFCB COc1ccc(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 45886295 VODKRPNHVFAEMY-JTQLQIEISA-N 250.298 2.982 10 40 CFCB CCCn1cc(NCc2ccc(N(C)C)cc2)cn1 90191898 NZNYUJHENRWUCD-UHFFFAOYSA-N 258.369 2.971 10 40 CFCB COC(=O)c1cc(C)n(-c2ccccc2OC)c1C 223709620 YBCGLXGFQQYFHW-UHFFFAOYSA-N 259.305 2.889 10 40 CFCB CC(C)(C)c1nc2c(o1)C(=O)c1ccccc1C2=O 1628997 XYJGAIQEWRRGAX-UHFFFAOYSA-N 255.273 2.748 10 40 CFCB CCOC(=O)[C@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]12 12138194 KUJYFFKMYKZTTF-WDMOLILDSA-N 261.296 2.843 10 40 CFCB N[C@@H](c1cc(C(F)(F)F)ccc1O)C(F)(F)F 72195506 GBLPKRDOIOPRDM-ZETCQYMHSA-N 259.149 2.973 10 40 CFCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 438823 GOKZGGVCQGAUED-GXDHUFHOSA-N 298.729 2.801 10 40 CFCB CN(C)c1ccc(CNc2ccn(C(F)F)n2)cc1 256051890 KYDOPKZLKDVCQV-UHFFFAOYSA-N 266.295 2.956 10 40 CFCB Cc1cccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)c1C 5728674 CDVRUXUBFWPUIM-VHEBQXMUSA-N 296.334 2.945 10 40 CFCB CCO/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 9482459 CRJKIKTWWQZBMV-RAXLEYEMSA-N 262.284 2.859 10 40 CFCB COc1ccc(CN[C@H](CO)c2ccccc2)cc1C 63000310 UPJUADCPVPXEAK-MRXNPFEDSA-N 271.360 2.827 10 40 CFCB COc1ccc(-n2c(C)cc(CO)c2C)c([N+](=O)[O-])c1 223711777 KOJCMIXYPMURRQ-UHFFFAOYSA-N 276.292 2.503 10 40 CFCB COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 223709909 BKHYGLJRYHNZFA-UHFFFAOYSA-N 259.305 2.889 10 40 CFCB Cc1cc(N2C(=O)CSC2=S)c([N+](=O)[O-])cc1C 5432860 YQJIEFXKJGKKQW-UHFFFAOYSA-N 282.346 2.576 10 40 CFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC1CC1 12410843 ULAABAFEHXIGCM-UVTDQMKNSA-N 287.338 2.964 10 40 CFCB Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1 3775158 VEVZSMAEJFVWIL-UHFFFAOYSA-O 287.247 2.909 10 40 CFCB biogenic,in-man C[C@H]1Cc2cc(/C=C3\SC(=S)N(C)C3=O)ccc2O1 16810375 UBSKXNGUCFCSGJ-VQLBTBKJSA-N 291.397 2.841 10 40 CFCB CN(CCOc1ccccc1)Cc1ccc(N)cc1 43458262 SRWKAPLMXXGYPA-UHFFFAOYSA-N 256.349 2.780 10 40 CFCB CN(C)c1ccc(CNCc2ccn(C(F)F)n2)cc1 256050340 DRHFGYALRSMDGF-UHFFFAOYSA-N 280.322 2.634 10 40 CFCB CCCCC(=O)Nc1cc(OC)ccc1N1CCOCC1 20528675 NVMSWNOCNUKFGJ-UHFFFAOYSA-N 292.379 2.661 10 40 CFCB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 19736364 YZTVVZDWLGDTKK-GFCCVEGCSA-N 270.332 2.983 10 40 CFCB O=C(OCC(=O)c1cc(F)ccc1F)c1cc(O)cs1 69897992 MIJKYZLTSLPCIZ-UHFFFAOYSA-N 298.266 2.772 10 40 CFCB CN(C)/N=N/c1c(Cl)cc(Cl)cc1C(N)=O 18024344 LDIHNYMWLCYIFQ-BUHFOSPRSA-N 261.112 2.653 10 40 CFCB CCCn1ccc(NCc2ccc(N(C)C)cc2)n1 20351779 FSLTYCBVUKAWTH-UHFFFAOYSA-N 258.369 2.971 10 40 CFCB CCn1cc(CNCc2ccc(N(C)C)cc2)c(C)n1 20351234 LFUNVLSIMFAQIX-UHFFFAOYSA-N 272.396 2.567 10 40 CFCB Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 20480817 LSLFMXBDRYZMAL-UHFFFAOYSA-N 292.136 2.679 10 40 CFCB Nc1ccc(CSc2nc(C(F)(F)F)n[nH]2)cc1 78406769 RBLHKLDXMPUUNT-UHFFFAOYSA-N 274.271 2.698 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc(C(C)=O)cc2[C@@H]2C=CC[C@H]12 58850943 UBWUFNYNGFDLEH-DVOMOZLQSA-N 285.343 2.906 10 40 CFCB COc1ccc(-n2c(C)cc(C=O)c2C)c(OC)c1 8701721 ZVONFKPIIMXBIZ-UHFFFAOYSA-N 259.305 2.924 10 40 CFCB COc1ccc(-n2c(C)cc(CO)c2C)cc1[N+](=O)[O-] 223716220 XATQGYVDGFARRM-UHFFFAOYSA-N 276.292 2.503 10 40 CFCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1 30058170 QAJMACCKRWOPBF-LFIBNONCSA-N 292.338 2.563 10 40 CFCB Nc1ccc(N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 312422167 PAPFUGRENUWNNG-GRDNDAEWSA-N 271.408 2.579 10 40 CFCB CCN(CC)c1ccc(CN[C@H](C(=O)O)C(C)C)cc1 43430156 GEGVXLYBNBVUPI-HNNXBMFYSA-N 278.396 2.732 10 40 CFCB O=C(/C=C/c1cccnc1)N1CCc2ccccc21 42648986 RIZSBNWIBLVKCD-BQYQJAHWSA-N 250.301 2.684 10 40 CFCB CCN(CC)c1cc(C)nc(Nc2ccc(N)cc2)n1 206578656 PJXXIUZOAZHSAZ-UHFFFAOYSA-N 271.368 2.957 10 40 CFCB O=C1OC(c2ccc(F)cc2)=N/C1=C1\CCCCCN1 6883667 PAPUDTREYIAEAD-OUKQBFOZSA-N 274.295 2.504 10 40 CFCB C[C@@H]1Nc2ccccc2[C@@H]1/C=C1\SC(=S)NC1=O 17007614 JXBGQGJBAFNIKX-PFSXQCRUSA-N 276.386 2.616 10 40 CFCB Cc1nn(-c2ccc(Nc3ccc(N)cc3)nn2)c(C)c1C 217506521 HGMFQLGIIMHLTL-UHFFFAOYSA-N 294.362 2.913 10 40 CFCB O=C1N=C(NC2CCCCC2)S/C1=C/c1cccnc1 97990774 YAZVPCQHDULLAG-UKTHLTGXSA-N 287.388 2.974 10 40 CFCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C 199193 OBJSOQKCPHPLET-XNTDXEJSSA-N 295.342 2.739 10 40 CFCB CN(C)c1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1 101909875 YPAYCZOHGRSGJS-UHFFFAOYSA-N 297.310 2.937 10 40 CFCB in-vitro O=C1N[C@@H](c2ccc(O)c(O)c2)Nc2cc(Cl)ccc21 48310808 BAURGORJYYQABT-ZDUSSCGKSA-N 290.706 2.605 10 40 CFCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O 409011779 HPAZGLIYYMFBKH-OTIXFSKASA-N 293.344 2.933 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(O)cc1 58865669 ADELBEPIMXPKAA-UHFFFAOYSA-N 288.299 2.536 10 40 CFCB O=C(NCc1ccc2cccnc2c1O)[C@H]1CC=CCC1 521396317 LVVYZHYDAULNBR-ZDUSSCGKSA-N 282.343 2.913 10 40 CFCB CO[C@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](C)O1 5203163 PDONKCFUOXOLLW-WKSBVSIWSA-N 291.307 2.672 10 40 CFCB CCCC/C(C)=C1/C(=O)NN(c2ccccc2)C1=O 4866353 LTEMLJIRLZVLTI-QBFSEMIESA-N 258.321 2.571 10 40 CFCB Oc1ccccc1[C@H](Nc1ncccn1)c1ccco1 1272968 OAUCXPSMCQYWNB-AWEZNQCLSA-N 267.288 2.977 10 40 CFCB CN1C(=O)/C(=C\c2ccc(N(C)C)s2)SC1=S 36621780 ZQJKSDYZGVLQCC-SOFGYWHQSA-N 284.431 2.645 10 40 CFCB Cc1cc(=O)oc2c(C)c(O)c(CN3CCCC3)cc12 9049075 SRCPGSMEOHRIPN-UHFFFAOYSA-N 273.332 2.711 10 40 CFCB COc1ccc([C@@H]2COc3cc(O)c(O)cc3C2)cc1 1607536 HEMAEFVLALEJDS-LBPRGKRZSA-N 272.300 2.825 10 40 CFCB O=C1CCCN1Cc1cc(Cl)c2cccnc2c1O 134548 YWICHOLVOTVAMW-UHFFFAOYSA-N 276.723 2.716 10 40 CFCB COc1cccc(/C(C)=C2\SC(=S)NC2=O)c1 5132085 OMWPBMOIAWYRIM-YFHOEESVSA-N 265.359 2.574 10 40 CFCB CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2C)c1 15250380 GWLSYVWCYAGCDR-INIZCTEOSA-N 298.342 2.987 10 40 CFCB Cc1ccc(O)c(C(=O)N(C)Cc2ccccc2O)c1 48606728 QRZZDEOPEXKVSW-UHFFFAOYSA-N 271.316 2.678 10 40 CFCB Cc1cc(C(=O)NCC(F)(F)F)c(C)n1-c1ccccn1 84081364 MNOVCXMJBHTIDC-UHFFFAOYSA-N 297.280 2.781 10 40 CFCB COc1ccc(C2=NN[C@@H](c3ccccc3O)C2)cc1 568216 BSDMXYPLVTZYAU-OAHLLOKOSA-N 268.316 2.840 10 40 CFCB COC(=O)c1sc(OC(C)C)c(Cl)c1O 96510969 ZVSQJTZBHNRFPR-UHFFFAOYSA-N 250.703 2.681 10 40 CFCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccnc1 12595851 GCULJEQYMYUVOG-GHXNOFRVSA-N 299.380 2.882 10 40 CFCB COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OC 15011505 GCWVPGIGCUIXEH-JXMROGBWSA-N 295.385 2.535 10 40 CFCB Cc1cc(C(=O)O)c(C)n1-c1ccc(N(C)C)cc1 36335092 LXVXDAXCNATQGU-UHFFFAOYSA-N 258.321 2.858 10 40 CFCB Nc1[nH]ncc1-c1nc2cc(Cl)ccc2s1 35279309 FMNHYWLOBGGFKT-UHFFFAOYSA-N 250.714 2.922 10 40 CFCB in-vitro COCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 33018987 UKONEWACZYPFMO-UHFFFAOYSA-N 290.338 2.609 10 40 CFCB COP(=O)(OC)c1ccc(C(C)(C)C)c(O)c1O 35327017 LFWANHYOMMJIIY-UHFFFAOYSA-N 274.253 2.507 10 40 CFCB CCONC(=O)c1sccc1-n1c(C)ccc1C 49346495 LCVOMJPTURILKO-UHFFFAOYSA-N 264.350 2.837 10 40 CFCB Oc1ccccc1[C@H]1Nn2c(nnc2-c2ccccc2)S1 20725628 YGHZVQXNXOYPSQ-AWEZNQCLSA-N 296.355 2.999 10 40 CFCB CC1=NNC(=O)/C1=C\c1ccc(Cl)cc1Cl 104343395 WPSBOEIHJMVOHH-WTKPLQERSA-N 255.104 2.883 10 40 CFCB COCCNCc1cc(C)n(-c2ccccc2OC)c1C 113704239 KZGDVGGIFXQZRU-UHFFFAOYSA-N 288.391 2.839 10 40 CFCB CCCCN1C(=O)S[C@@H](Nc2ccccc2OC)C1=O 12136842 JVNFIGNKMQCLIQ-GFCCVEGCSA-N 294.376 2.929 10 40 CFCB CCn1cc(NCc2ccc(N(C)C)cc2)c(C)n1 20351799 VYWOMHUQJQDORK-UHFFFAOYSA-N 258.369 2.890 10 40 CFCB CCN(CC)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1 146244911 KWRXMGODVLZQKA-UHFFFAOYSA-N 297.422 2.983 10 40 CFCB Cc1nn(C(C)C)cc1NCc1ccc(O)cc1O 256054392 WBVPUHQNIJYYJY-UHFFFAOYSA-N 261.325 2.796 10 40 CFCB O=[N+]([O-])c1cccc2nc3ccccc3c(NCCO)c12 5812029 HARZMLUWPOFDHZ-UHFFFAOYSA-N 283.287 2.700 10 40 CFCB O=C1NC(=S)S/C1=C/c1ccnc2ccccc12 6269908 GTYFFRFEABSUHZ-YRNVUSSQSA-N 272.354 2.724 10 40 CFCB Cc1cc(CN2CCOCC2)c(C)n1-c1ccccc1 196077207 BHEBNOYXOZAOJU-UHFFFAOYSA-N 270.376 2.926 10 40 CFCB Cc1ccc([C@@H]2O[C@]2(C(=O)C=[N+]=[N-])c2ccccc2)cc1 5568095 ZVOZVRJWLRUPSR-IRXDYDNUSA-N 278.311 2.832 10 40 CFCB Cc1cccc(-c2nc(COc3ccc(N)cc3)n[nH]2)c1 62719569 JMPCDLXJYLYWDP-UHFFFAOYSA-N 280.331 2.941 10 40 CFCB O=C1/C(=C/c2ccc[nH]2)C(O)=NC(=S)N1c1ccccc1 9043024 MHQXFDJJBPXPHX-FMIVXFBMSA-N 297.339 2.686 10 40 CFCB Cc1nn(C(F)F)cc1NCc1ccccc1O 256054918 YIPJLDYQWWAMRE-UHFFFAOYSA-N 253.252 2.904 10 40 CFCB Cc1ccc(N2NC(=O)/C(=C\c3cccs3)C2=O)cc1 440099 PBUDZBXDLRTJFA-UKTHLTGXSA-N 284.340 2.518 10 40 CFCB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1 19273679 HBPMQPCUXRBTJK-LBPRGKRZSA-N 270.332 2.983 10 40 CFCB COc1cc(N(C)Cc2cccnc2)cc(OC)c1OC 78876643 BTGRZBJRIHUXTE-UHFFFAOYSA-N 288.347 2.744 10 40 CFCB C[C@@H]1C=CC[C@H]2C(=O)c3cccc([N+](=O)[O-])c3C(=O)[C@H]12 5664907 IHKNRAXIHBVWCX-KBVBSXBZSA-N 271.272 2.802 10 40 CFCB Cc1ccoc1C(=O)NCc1ccc(N(C)C)cc1 18215407 ZBUHXNVYGRAVIT-UHFFFAOYSA-N 258.321 2.584 10 40 CFCB CN(C(=O)c1cccc(O)c1O)[C@@H]1CCc2ccccc21 192962765 RCOTVRIAVOIIAK-CQSZACIVSA-N 283.327 2.857 10 40 CFCB O=[N+]([O-])c1ccc2nc3cc(Cl)ccc3[n+]([O-])c2c1 32269976 SVQRVGDURXMETG-UHFFFAOYSA-N 275.651 2.583 10 40 CFCB Oc1ccc(N=Nc2nc(C(F)(F)F)n[nH]2)cc1 252626577 RBNKFODPVNTZFV-UHFFFAOYSA-N 257.175 2.945 10 40 CFCB CNCCC=C1c2ccccc2[C@H](O)[C@H](O)c2ccccc21 22057722 GKBCRWFSVWNWQQ-KDURUIRLSA-N 295.382 2.808 10 40 CFCB in-vitro O=C(O)[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 4959624 REGZZMYIDMVSBE-HOTUBEGUSA-N 294.148 2.988 10 40 CFCB O=C(O)/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13189781 BPABUEYGYPZKMX-FNORWQNLSA-N 276.292 2.683 10 40 CFCB Cc1c(/C=C2\SC(=S)NC2=O)c2ccccc2n1C 4687809 PPGHXTMHANPROR-GHXNOFRVSA-N 288.397 2.976 10 40 CFCB CCOc1ccc(NC(=O)COc2ccc(N)cc2)cc1 31896027 PJNRJIGGWUUGDT-UHFFFAOYSA-N 286.331 2.685 10 40 CFCB O=C(NCCCSc1nccs1)C1CCC1 78713616 QFUSGIAOWJLWSD-UHFFFAOYSA-N 256.396 2.542 10 40 CFCB C[C@@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])OCO2 32500109 XAYSSVFRLFFPMI-SECBINFHSA-N 264.281 2.702 10 40 CFCB O=C1NC(=S)S/C1=C\C=C\c1ccccc1[N+](=O)[O-] 2045563 YJHOWNVOZSVMOV-JEFLAVHQSA-N 292.341 2.640 10 40 CFCB CN(C)c1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1 843031 GBOHJUQDELAZTL-KRWDZBQOSA-N 295.386 2.973 10 40 CFCB Oc1ccc([C@H]2NN=C(c3ccccc3O)S2)cc1 408723514 XOZJWPDGIWNOAA-ZDUSSCGKSA-N 272.329 2.795 10 40 CFCB CC1=CC2=NC(=O)/C(=C/c3ccc(Cl)cc3)C(=N)N2O1 41078293 UYORVJQNFOXMHO-ZQJZDCJSSA-N 287.706 2.790 10 40 CFCB COCCc1ccc(C=O)n1Cc1ccc(F)cc1 226030867 GILVMIHUPUERCL-UHFFFAOYSA-N 261.296 2.677 10 40 CFCB CCc1ccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)cc1 1889020542 HLFIEWOCEZSNDD-ZDUSSCGKSA-N 258.325 2.908 10 40 CFCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC1CC1 100150635 CMZLTRQSMGMWKK-DHZHZOJOSA-N 298.371 2.655 10 40 CFCB [N-]=[N+]=NS(=O)(=O)c1ccc(Cl)c(Cl)c1 4921639 QACOICIODXWXQP-UHFFFAOYSA-N 252.082 2.992 10 40 CFCB CC(=O)N1C(=O)/C(=C\c2ccccc2F)SC1=S 33912973 OFRYIYWQSUSUPW-UXBLZVDNSA-N 281.333 2.573 10 40 CFCB O=S(=O)(N=[N+]([O-])c1ccccc1)c1ccccc1 104091090 QRNVWZQBMBXBQN-UHFFFAOYSA-N 262.290 2.670 10 40 CFCB CCCNC(=O)NCc1ccc(N(CC)CC)cc1 79814219 ZKCICNOWSYGXBP-UHFFFAOYSA-N 263.385 2.742 10 40 CFCB Cn1cccc1/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O 13774376 BQKXFSHVCPBHAY-RAXLEYEMSA-N 295.298 2.532 10 40 CFCB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)c1 19261127 WDBXTEZOODZMES-GFCCVEGCSA-N 270.332 2.983 10 40 CFCB CCN(CC)CCNCc1ccc(N(CC)CC)cc1 21516969 OGADNXIXBSQYTG-UHFFFAOYSA-N 277.456 2.964 10 40 CFCB CN(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccnc1 12540080 UHWQHVOBHDPFNQ-UHFFFAOYSA-N 284.363 2.812 10 40 CFCB CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1233030 DRMOBEVJYGEHSK-YFHOEESVSA-N 265.359 2.613 10 40 CFCB CC[C@H](NCCC(=O)NC1CCCC1)c1ccccc1O 95985119 MSUGKHJQDFXLBI-HNNXBMFYSA-N 290.407 2.882 10 40 CFCB COCCNCc1cc(C)n(-c2ccc(F)cc2)c1C 223669995 LFGPCMKMKZALIV-UHFFFAOYSA-N 276.355 2.969 10 40 CFCB CCCn1cc(NCc2ccc(O)cc2O)c(C)n1 256055116 ZGXKMAQSQINDDA-UHFFFAOYSA-N 261.325 2.625 10 40 CFCB COC(=O)c1ccc(/N=N/C(C)(C)[N+](=O)[O-])cc1 6761680 MFTKJVCRVCTROP-OUKQBFOZSA-N 251.242 2.570 10 40 CFCB CCCS(=O)(=O)Nc1ccc(O)c2ccccc12 45929261 BGFIAJLZSPSLJX-UHFFFAOYSA-N 265.334 2.697 10 40 CFCB CN(C)c1ccc(CN2CCC[C@@H]2Cn2ccnc2)cc1 195573506 BTUGQNWEUWAWGA-QGZVFWFLSA-N 284.407 2.614 10 40 CFCB O=S(=O)(O)NNc1ccc(/N=N\c2ccccc2)cc1 100535006 TZKDKKHSIYNFRY-YPKPFQOOSA-N 292.320 2.821 10 40 CFCB COc1cc([N+](=O)[O-])c(N2CCC(C)CC2)c([N+](=O)[O-])c1 45886720 KSOCEGLOKRTPSI-UHFFFAOYSA-N 295.295 2.748 10 40 CFCB N[C@H](c1cc(C(F)(F)F)ccc1O)C(F)(F)F 72195505 GBLPKRDOIOPRDM-SSDOTTSWSA-N 259.149 2.973 10 40 CFCB CCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1C 17007410 OKRUUOOGQJMQPC-UVTDQMKNSA-N 275.327 2.822 10 40 CFCB COc1ccc(/N=N/c2c(N)nn3c(C)cc(O)nc23)cc1 3849243 HCLIAWTUXFPEHV-ISLYRVAYSA-N 298.306 2.750 10 40 CFCB Cc1ccc(/N=N\[C@@H]2C(=O)NN(c3ccccc3)C2=O)cc1 100353202 GUYUPWKVBCLPRK-MGPWXQLLSA-N 294.314 2.525 10 40 CFCB Cc1c(-n2c(C)cc(CO)c2C)cccc1[N+](=O)[O-] 223712251 IVQWVAWQCWYJOT-UHFFFAOYSA-N 260.293 2.803 10 40 CFCB C[C@H]1Nc2ccccc2[C@@H]1/C=C1\SC(=S)NC1=O 17007616 JXBGQGJBAFNIKX-OFBPKJHSSA-N 276.386 2.616 10 40 CFCB CNC(=O)CNc1cc2oc3ccccc3c2cc1OC 11619367 OGSWAJQUYJCNIT-UHFFFAOYSA-N 284.315 2.753 10 40 CFCB CN(C)c1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 18215120 TZLVPTBTRNYIJF-UHFFFAOYSA-N 297.402 2.749 10 40 CFCB O=C1c2ccccc2C(=O)C1c1ccc2c(c1)OCO2 101462979 YMZRAHGOXCLIFF-UHFFFAOYSA-N 266.252 2.578 10 40 CFCB CCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1C 4999599 OAXYGMVLFHZLCC-PTNGSMBKSA-N 287.363 2.691 10 40 CFCB CCc1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-] 3518652 APQRZCDFNZPSNJ-POHAHGRESA-N 294.357 2.646 10 40 CFCB O=c1c(-c2ccccc2)coc2cc(O)c(O)cc12 5999775 RELBLTGUBMEHHL-UHFFFAOYSA-N 254.241 2.871 10 40 CFCB Cc1cccc(C)c1OCC(=O)Nc1ccc(N)cc1 19736468 ZVYCBRBAZQEZTM-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CC[C@H](N[C@@H](CO)c1ccco1)c1ccccc1O 156135649 MAYSEHOUWFJMRY-STQMWFEESA-N 261.321 2.760 10 40 CFCB CCCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O 5235514 QOJKQPFJBNJHKE-UHFFFAOYSA-N 275.348 2.821 10 40 CFCB COc1ccc2ccc(O)c(CN3CCO[C@H](C)C3)c2c1 15525135 WMNOUYIZZSANIQ-GFCCVEGCSA-N 287.359 2.775 10 40 CFCB CCN(CC)CN1C(=O)/C(=C/c2ccco2)SC1=S 24716542 IYZQBWUNCLJLME-FLIBITNWSA-N 296.417 2.780 10 40 CFCB O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1 1857793024 SWUARLUWKZWEBQ-UHFFFAOYSA-N 284.311 2.897 10 40 CFCB CCOC(=O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]12 12138202 SUGWMTABQUGZKF-DRCTWCGVSA-N 288.303 2.612 10 40 CFCB CCN1C(=O)/C(=C\c2ccccc2F)C(C(=O)OC)=C1C 408978206 LFYDCRWFBPGHAE-XFXZXTDPSA-N 289.306 2.518 10 40 CFCB Cc1ccc(N/C=C2/C(=O)NN=C2c2ccccc2)cc1 100142731 GXMUEDNNVBOYLL-RVDMUPIBSA-N 277.327 2.825 10 40 CFCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C)c1O 15249286 YMMOVOFQZGHWNH-OAHLLOKOSA-N 284.315 2.597 10 40 CFCB CC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2O)CC1 6500042 YLFYDBCHMRQZHF-CYBMUJFWSA-N 290.407 2.519 10 40 CFCB CCOc1ccc(N(C)Cc2noc(CC)n2)cc1 96417463 HBTOMMVEZLNOJO-UHFFFAOYSA-N 261.325 2.667 10 40 CFCB CO[C@@H]1C[C@H](N=[N+]=[N-])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 5431145 QPIUTUWBOILDRM-YHQUGGNUSA-N 291.307 2.541 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1O 39153 KTPHYICBZVGNPX-JLHYYAGUSA-N 288.372 2.848 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(O)c1 58865675 CFTXLCVXASBSSL-UHFFFAOYSA-N 288.299 2.536 10 40 CFCB Cc1nc2sc(C(=O)O)c(N)c2c2c1COC(C)(C)C2 20263962 POWTZMPVRFFZOY-UHFFFAOYSA-N 292.360 2.736 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(=O)CC2)cc1 3442012 WDTWSVJWRPOIQZ-UHFFFAOYSA-N 296.370 2.899 10 40 CFCB NC(=O)c1ccc(NCc2cc(Cl)ccc2O)cc1 19911539 GCNUTPZJAZRBMR-UHFFFAOYSA-N 276.723 2.757 10 40 CFCB CCCN1C(=O)/C(=C\c2cccnc2)SC1=S 5694931 JCXIJUDHRVZATE-JXMROGBWSA-N 264.375 2.693 10 40 CFCB CC(C)C(=O)NCc1ccc(N2CCCCC2)cc1 49740464 JDXLTZBILFSMGQ-UHFFFAOYSA-N 260.381 2.949 10 40 CFCB Cn1cccc1/N=N/c1ccc(S(=O)(=O)O)cc1 18192851 MSHJUHBADWWHNT-OUKQBFOZSA-N 265.294 2.687 10 40 CFCB CC(C)(C)[C@H]1C[C@H](C(C)(C)C)C(=O)C(=[N+]=[N-])C1=O 5379755 YJPAXEHZSANGLT-IUCAKERBSA-N 250.342 2.524 10 40 CFCB O=C1NC(=S)S/C1=C\c1ccnc2ccccc12 13213589 GTYFFRFEABSUHZ-XFFZJAGNSA-N 272.354 2.724 10 40 CFCB COc1ccccc1NC[C@H](O)COc1ccccc1 3194939 PEHGANIRNYYRMW-ZDUSSCGKSA-N 273.332 2.547 10 40 CFCB CC(=O)OC(C)(C)/N=N\c1ccc([N+](=O)[O-])cc1 100226055 NAQUFFAJIDGGHJ-SEYXRHQNSA-N 251.242 2.978 10 40 CFCB CCN/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C 20075100 DIRBMWGERCJJQZ-NTEUORMPSA-N 257.337 2.519 10 40 CFCB COC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4792027 CESNWXSYWZEOEI-UHFFFAOYSA-N 281.267 2.640 10 40 CFCB Cc1cc(N(C)C)ccc1CN[C@@H](C)CCn1cccn1 97049306 ZWSTZLVICCNHGT-HNNXBMFYSA-N 286.423 2.826 10 40 CFCB CCOc1ccc([C@@H]2Oc3ccccc3C(=O)C2=O)cc1 575623564 DYHILMYEJUFJRJ-KRWDZBQOSA-N 282.295 2.971 10 40 CFCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC 12690557 MZLHVKLXPFHWBX-XFFZJAGNSA-N 295.385 2.583 10 40 CFCB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N)cc1 168223966 WDMCGXYJGRNTSR-UHFFFAOYSA-N 285.372 2.704 10 40 CFCB C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 49413261 UHKPBSZBCYNBDM-BBRMVZONSA-N 272.392 2.949 10 40 CFCB Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 19736077 PAOXTARLLUFVAS-UHFFFAOYSA-N 276.723 2.940 10 40 CFCB O=[N+]([O-])c1ccc(O)c(C[n+]2ccc3ccccc3c2)c1 33500116 IUZCNOBRIPRICP-UHFFFAOYSA-O 281.291 2.789 10 40 CFCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C=O 72216810 DHBNHRZPKIEJQI-OAHLLOKOSA-N 269.348 2.782 10 40 CFCB [N-]=[N+]=NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 103043712 LXSLPIWBUCRILP-SNVBAGLBSA-N 285.263 2.861 10 40 CFCB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(O)c1O 7062899 KJKFDMUIZJLSLT-KPKJPENVSA-N 297.310 2.623 10 40 CFCB Cc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12 19912931 HOXMXMVWYGPXRV-UHFFFAOYSA-N 267.712 2.522 10 40 CFCB CC(=O)NC1=NC(=O)/C(=C\c2cccc3ccccc23)S1 4492289 UZQOTGAFQHCPES-NTEUORMPSA-N 296.351 2.946 10 40 CFCB Cc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1C 32922273 JNVGYJQKUDJHLP-UHFFFAOYSA-N 273.288 2.673 10 40 CFCB CN(C)c1ccc(/C=C2\N=C3CCCCCN3C2=O)cc1 239769 RUQDMQXUMPLGEC-QINSGFPZSA-N 283.375 2.908 10 40 CFCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1 2931348 FRALBZBMNORLRU-WDZFZDKYSA-N 295.385 2.535 10 40 CFCB CC(=O)Nc1ccc(/N=N\c2c(C)nn(C(=N)N)c2C)cc1 104189933 FZAHFRKWXFRCFL-HNENSFHCSA-N 299.338 2.615 10 40 CFCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F 5234377 WVWICQONQMZYBX-UHFFFAOYSA-N 281.308 2.641 10 40 CFCB CNC(=O)c1ccc(/C=C\c2c[nH]c3ccccc23)[n+](C)c1 4994224 XFWXVWDNSZVBPD-UHFFFAOYSA-O 292.362 2.522 10 40 CFCB CCCN(Cc1ccccc1O)C(=O)NCc1ccccn1 65532106 WNWQQKPDCCAIMD-UHFFFAOYSA-N 299.374 2.909 10 40 CFCB C[C@H](NCc1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 36369689 TYROVGXVOBWINF-KBXCAEBGSA-N 284.403 2.964 10 40 CFCB CC(C)(C)OC(=O)N1CC[C@H](Nc2ccccc2N)C1 95348006 UPRQOXULXDFABD-NSHDSACASA-N 277.368 2.690 10 40 CFCB Oc1cc(Br)cc(Br)c1O 407947 PSHYJLFHLSZNLM-UHFFFAOYSA-N 267.904 2.623 10 40 CFCB biogenic CN(C)c1cccc(Cl)c1/C=C1\SC(=S)NC1=O 255961366 VFACDNBSPKPYFV-POHAHGRESA-N 298.820 2.895 10 40 CFCB CCn1nc(C)cc1NCc1ccc(N(C)C)cc1 256052217 MKSJVPNXVAFQOM-UHFFFAOYSA-N 258.369 2.890 10 40 CFCB CCN1C(=O)[C@H](Cc2ccc(OC)c(C)c2)SC1=S 6952518 OJWQOYYEKAEPEJ-LBPRGKRZSA-N 295.429 2.795 10 40 CFCB CN(C)c1ccc(CNc2cnn(CCF)c2)cc1 256051877 KVQMLCCZGUWDEJ-UHFFFAOYSA-N 262.332 2.531 10 40 CFCB Cc1nn(C(N)=S)c(C)c1/N=N/c1ccc(O)cc1 17993327 VNEYTIQDFHRHEH-CCEZHUSRSA-N 275.337 2.713 10 40 CFCB Nc1ccc(Cc2nc(Cc3ccccc3)no2)cc1 19772073 FEPBMKZFPLXLNF-UHFFFAOYSA-N 265.316 2.833 10 40 CFCB CN(C)c1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1 6733631 ZNDWQRIVBOZMHM-UHFFFAOYSA-N 281.315 2.994 10 40 CFCB Cc1cn2c(n1)[C@@H](CNCc1ccc3c(c1)CCO3)CCC2 95402060 HFUCWFQORAQQBY-MRXNPFEDSA-N 297.402 2.794 10 40 CFCB CC(C)(C)OC(=O)N1CCC([C@@](C)(O)CN=[N+]=[N-])CC1 72208105 PWJDEFJISNWZFA-ZDUSSCGKSA-N 284.360 2.695 10 40 CFCB CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12 83554 GATPAACXDAABQH-UHFFFAOYSA-N 277.320 2.685 10 40 CFCB Nc1nn2c(c1/N=N/c1cccc(Cl)c1)NC(=O)CC2 5568595 KWFCSVUTBOTWGY-WUKNDPDISA-N 290.714 2.876 10 40 CFCB COc1ccc(N2C(=O)/C(=C\O)c3ccccc3C2=O)cc1 102420449 JEVVGZZDPCFDNS-GDNBJRDFSA-N 295.294 2.781 10 40 CFCB COC[C@H](C)c1nc(-c2ccc(O)c(O)c2)cs1 58378485 YCSYGSLWTNORBW-QMMMGPOBSA-N 265.334 2.971 10 40 CFCB C[C@H](NCc1ccc2c(c1)CCO2)[C@H](C)n1cccn1 69418478 FBJQAANNVUPZEF-STQMWFEESA-N 271.364 2.557 10 40 CFCB CO[C@H]1C[C@@H](N=[N+]=[N-])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 5431152 QPIUTUWBOILDRM-ITGHMWBKSA-N 291.307 2.541 10 40 CFCB [N-]=[N+]=NCC(=O)Nc1cccc(Br)c1 100035879 AZMYQFGOTZJHDR-UHFFFAOYSA-N 255.075 2.698 10 40 CFCB CCOC(=O)N1CCC(Nc2c(C)cccc2N)CC1 145400627 WZXUDOIYORYGPE-UHFFFAOYSA-N 277.368 2.610 10 40 CFCB CCc1cc(NCc2ccccc2O)nc(CC)n1 892161982 URWADBIAMZCGFC-UHFFFAOYSA-N 257.337 2.919 10 40 CFCB C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)NC2=O)o1 8117283 MLGAUACWGHSKQL-OHGZJSFGSA-N 265.359 2.892 10 40 CFCB Cc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)o1 5547587 KIGDFHPGEXNLLR-FLIBITNWSA-N 262.334 2.654 10 40 CFCB COC(=O)c1sc2ncc3c(c2c1N)C[C@H](C)CC3 13208390 UPENDRABDYEGNB-SSDOTTSWSA-N 276.361 2.790 10 40 CFCB Cc1nn(-c2ccccc2)c2c1C(=O)C(=[N+]=[N-])C(C)(C)C2 4461576 FUWDAYKZUPWYSJ-UHFFFAOYSA-N 280.331 2.617 10 40 CFCB COCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2217458 NJMUQDLGCRYUTA-BENRWUELSA-N 293.413 2.924 10 40 CFCB O=C1C(=O)N(c2ccccc2)N=C1/N=N\c1ccccc1 104218502 YQTMGNWQPPQXPG-MSUUIHNZSA-N 278.271 2.700 10 40 CFCB Nc1ccc(OC[C@H]2CCCN3CCCC[C@H]23)cc1 96526694 TZQRDGBYUMWAIM-CZUORRHYSA-N 260.381 2.912 10 40 CFCB CCN(CC)c1ccc(/C=C2/NC(=O)NC2=S)cc1 5393298 CMHQMNNUOBYHLZ-FMIVXFBMSA-N 275.377 2.514 10 40 CFCB O=C1NN=C(C(F)(F)F)/C1=C\Nc1ccccc1Cl 100408751 TVYKPJDGBLQHDD-AATRIKPKSA-N 289.644 2.684 10 40 CFCB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccccc2N)C1 91351769 UPRQOXULXDFABD-LLVKDONJSA-N 277.368 2.690 10 40 CFCB Cc1nc2cc(C(=O)NCc3ccccc3O)ccc2n1C 58355559 WLMUBVBQHCHCCD-UHFFFAOYSA-N 295.342 2.517 10 40 CFCB Cc1nc(C=S(C)(C)=O)cc(C2CCCCC2)n1 218794991 ZRGJTTZOHKLDEQ-UHFFFAOYSA-N 266.410 2.527 10 40 CFCB CCN1C(=O)/C(=C/c2cc(C)ccc2O)SC1=S 1180876 UFVWCBFLYILRRP-XFFZJAGNSA-N 279.386 2.922 10 40 CFCB COC(=O)c1cc(C)n(-c2ccc(N(C)C)cc2)c1C 223714604 UBSQWYNQLQXEOK-UHFFFAOYSA-N 272.348 2.947 10 40 CFCB Nc1nc(=S)n(N)c(N)c1/N=N/c1ccc(Cl)cc1 100643951 LFHFCVPACJWBCR-WUKNDPDISA-N 295.759 2.560 10 40 CFCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C)C3=O)ccc2O1 2353237 UBSKXNGUCFCSGJ-LQGZHCLWSA-N 291.397 2.841 10 40 CFCB Cc1cc(NS(=O)(=O)c2ccccc2)c(C)cc1O 3078361 WSMPHQBAMWATTO-UHFFFAOYSA-N 277.345 2.810 10 40 CFCB Cc1cccc(C=C2C(=O)OC3(CCCC3)OC2=O)c1 58833826 WLCHCDJDYYGMED-UHFFFAOYSA-N 272.300 2.749 10 40 CFCB O=C(O)[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]12 35534065 SIPMQZFVMNEOFU-PTZCXBDSSA-N 294.694 2.787 10 40 CFCB CC[C@H](C)CS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 97094607 LEJVTUZRTYAJSZ-LBPRGKRZSA-N 296.436 2.609 10 40 CFCB Cc1cc(O)n2nc(N)c(/N=N/c3ccccc3)c2n1 101472256 WDTXYNDTDNJONO-WUKNDPDISA-N 268.280 2.741 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\N1CCCCC1 16102409 CPRWWCPKEGAJNJ-QINSGFPZSA-N 269.348 2.779 10 40 CFCB C[C@@H]1CCC[C@H](OCC(=O)NCc2ccccc2O)C1 71903212 RQFRZZHIQAYTNC-OCCSQVGLSA-N 277.364 2.604 10 40 CFCB COCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 223964365 WRHRXOUFSNIWFP-AWEZNQCLSA-N 290.407 2.747 10 40 CFCB CN(CCc1ccc(F)cc1)C(=O)Cc1ccc(N)cc1 225470359 YRGHIHGTMNEQSN-UHFFFAOYSA-N 286.350 2.652 10 40 CFCB Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)O)cc1 8733467 YQTMWRNKKFTTOK-UHFFFAOYSA-N 257.289 2.534 10 40 CFCB COC(=O)c1cc(O)c(C(=O)Nc2ccc(F)cc2)s1 480374 MPUHEWNRNHESPG-UHFFFAOYSA-N 295.291 2.632 10 40 CFCB CC(C)=C1C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 134819 JICVRABQUUBQJS-UHFFFAOYSA-N 285.130 2.708 10 40 CFCB CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(O)CN=[N+]=[N-])C1 72208055 IUWOUMBNTXVCQP-GWCFXTLKSA-N 284.360 2.695 10 40 CFCB CCOc1ccc(N(CC)[C@H](CC)C(=O)O)cc1 260679463 OBRQDLOBZDYCCT-CYBMUJFWSA-N 251.326 2.775 10 40 CFCB CN(C)c1ccc(CN2Cc3ccccc3OCC2=O)cc1 65184351 NJUVZMJKAVABIZ-UHFFFAOYSA-N 296.370 2.674 10 40 CFCB O=Cc1ccc(Cn2ccnc2)n1Cc1ccccc1 78404651 AIYCJFJNKILBDF-UHFFFAOYSA-N 265.316 2.594 10 40 CFCB CCOC(=O)c1[nH]c(C)c(/C=C/c2cccc[n+]2C)c1C 5002338 MZABXGNGBHMJQI-UHFFFAOYSA-O 285.367 2.803 10 40 CFCB CC1=NNC(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 18033322 CAPKWUCYJBKHRO-POHAHGRESA-N 269.226 2.507 10 40 CFCB Cc1nc(Nc2ccc(N)cc2)cc(-n2ccnc2C)n1 217508629 ZZUYRBDITGBARM-UHFFFAOYSA-N 280.335 2.605 10 40 CFCB O=C1NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)S1 168602451 HTZHSSGWNWZFSA-FMIVXFBMSA-N 274.345 2.611 10 40 CFCB CN1CCCc2cc(CNC(=O)c3ccco3)ccc21 58357159 GBNIWDTVRWCJIQ-UHFFFAOYSA-N 270.332 2.592 10 40 CFCB O=c1cc(-c2cccc(O)c2O)oc2ccccc12 39292 NAIMYXZJCNXCQD-UHFFFAOYSA-N 254.241 2.871 10 40 CFCB biogenic Cc1ccc([C@H]2OC23C(=O)c2ccccc2C3=O)cc1 537547 SQUWDTMPSKJTOE-MRXNPFEDSA-N 264.280 2.884 10 40 CFCB CN(Cc1cc2c(cc1O)OCO2)Cc1ccccc1F 10217228 FWPHRIISXZKUNM-UHFFFAOYSA-N 289.306 2.892 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1O 12375280 KTPHYICBZVGNPX-RAXLEYEMSA-N 288.372 2.848 10 40 CFCB CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 19386119 IRCDTCNBZYKHAX-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C1\CCCCCN1 102572361 BFJVDHAROMEUSF-CCEZHUSRSA-N 269.348 2.827 10 40 CFCB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(O)CN=[N+]=[N-])C1 72208056 IUWOUMBNTXVCQP-MFKMUULPSA-N 284.360 2.695 10 40 CFCB COc1ccccc1CNCc1ccc2c(c1)CCO2 37362423 ITDOTNOHFYMZGJ-UHFFFAOYSA-N 269.344 2.920 10 40 CFCB CCOc1cccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)c1 1889006986 OULLFDXPNIQXAN-LBPRGKRZSA-N 274.324 2.744 10 40 CFCB Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1Cl 342774 GPHWIWWCAOXNJU-UHFFFAOYSA-N 295.722 2.780 10 40 CFCB O=C(O)[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 22204676 SIPMQZFVMNEOFU-MVKOHCKWSA-N 294.694 2.787 10 40 CFCB CC1=CN2C(=N)/C(=C/c3ccc(C)o3)C(=O)N=C2S1 5519264 HRCGNUFNBJBUDJ-OZJVIUOXSA-N 273.317 2.755 10 40 CFCB C[C@@H]1Oc2cc(-c3ccc(O)c(O)c3)oc(=O)c2C1(C)C 14691668 ONBNNXIPKYXCPC-QMMMGPOBSA-N 288.299 2.777 10 40 CFCB biogenic CC(C)NC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1 4708269 VRAVHUWEDGJBPO-UHFFFAOYSA-N 296.330 2.666 10 40 CFCB Cc1noc(C)c1NCc1ccc(N2CCOCC2)cc1 84025597 IGWIUKGDLGHHDA-UHFFFAOYSA-N 287.363 2.740 10 40 CFCB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N)cc1 19736397 LHRLGRXZDKZHES-NSHDSACASA-N 256.305 2.675 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 1889014776 HPPKTDNCTQXDIZ-JTQLQIEISA-N 264.716 2.999 10 40 CFCB Oc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1O 41863527 JKZGJISOBWSJNP-JTQLQIEISA-N 292.360 2.812 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]12 12404103 KUJYFFKMYKZTTF-UHIISALHSA-N 261.296 2.843 10 40 CFCB CCCCNC(=O)C1CCN(Cc2ccccc2O)CC1 4690803 MQLZPZBKSTVHRM-UHFFFAOYSA-N 290.407 2.521 10 40 CFCB Cn1ccnc(Sc2ncc(C(C)(C)C)s2)c1=O 95413915 CGHAUUMSEUAIAF-UHFFFAOYSA-N 281.406 2.686 10 40 CFCB CCN(CC)c1ccc(/C=C2\N=C(C)OC2=O)cc1 3101567 KVAHOZURDWMYJP-UVTDQMKNSA-N 258.321 2.849 10 40 CFCB CC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 1651674 XOGKCEFOHLEFQU-UHFFFAOYSA-N 257.289 2.913 10 40 CFCB Cc1ccc(C)c(OCC(=O)Nc2ccc(N)cc2)c1 19736266 KVNTXIXJYNYXOJ-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CCCc1nnc2n1N[C@H](c1ccc(N(C)C)cc1)S2 8691811 WUAJUQRBKKWMFN-ZDUSSCGKSA-N 289.408 2.645 10 40 CFCB CCOc1ccc(O)c([C@H]2NC(=O)c3ccccc3N2C)c1 8705976 MDOIGVFOKIHEAV-INIZCTEOSA-N 298.342 2.669 10 40 CFCB CCc1ccc2c(c1N)C(=O)c1ccccc1C2=O 4522780 FXXOWMASCSSPPJ-UHFFFAOYSA-N 251.285 2.607 10 40 CFCB Fc1ccc(NC(=S)NCc2ccccn2)cc1F 225329655 MRBKGYKRDYKVCC-UHFFFAOYSA-N 279.315 2.846 10 40 CFCB CCOc1ccc([C@H]2Oc3ccccc3C(=O)C2=O)cc1 575623565 DYHILMYEJUFJRJ-QGZVFWFLSA-N 282.295 2.971 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccn1 24543384 JKNZMFPKVHOWSR-PTNGSMBKSA-N 263.300 2.888 10 40 CFCB C[C@H](CNC(=O)c1ccc(O)c(O)c1)c1cccs1 97235349 LPZBIJPNPZVBLY-SECBINFHSA-N 277.345 2.693 10 40 CFCB Cc1nc(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)s1 95464218 SXEJVFYIJHKMBP-UHFFFAOYSA-N 298.389 2.575 10 40 CFCB CCO/C=C1\SC(=S)N(c2ccco2)C1=O 1564463 YSGHLGQKWYNVBL-SREVYHEPSA-N 255.320 2.522 10 40 CFCB CCCN1C(=O)N/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409242236 VZPDCDXIAJALMD-CSNJMMPQSA-N 299.374 2.612 10 40 CFCB C[C@H](C(=O)O)C1(c2ccccc2)C(=O)c2ccccc2C1=O 5531974 URLGUCDTRRQRLX-LLVKDONJSA-N 294.306 2.724 10 40 CFCB COC(=O)c1sc2nc3cc(OC)ccc3cc2c1N 421659 BYZATQBEWULYIM-UHFFFAOYSA-N 288.328 2.827 10 40 CFCB CN(C)/N=N\c1ccccc1C(=O)NCC(F)(F)F 104189317 ZAKDJZOCQSWSQC-MSUUIHNZSA-N 274.246 2.539 10 40 CFCB Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1 8030914 GRGYAGWEEJDSMU-UHFFFAOYSA-N 271.339 2.735 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1233033 MTLAHEBWVKXBAW-YFHOEESVSA-N 265.359 2.613 10 40 CFCB Nc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 8737759 NSZOTDJQIOUVRN-UHFFFAOYSA-N 276.723 2.940 10 40 CFCB Oc1ccc(-c2csc(N3CCSCC3)n2)cc1O 58202400 XGUIAHWYKCAFFK-UHFFFAOYSA-N 294.401 2.775 10 40 CFCB Cc1ccccc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 13471269 WYIHAUUPDQZTGK-ZROIWOOFSA-N 295.342 2.583 10 40 CFCB Cc1ccc(N/C=C2/SC(=S)N(C)C2=O)cc1 4109257 BEPJRBYEIDAIND-JXMROGBWSA-N 264.375 2.738 10 40 CFCB CCN(CC)C(=S)SCC(=O)c1ccc(O)c(O)c1 8244790 HVDFQOYSYVXSIM-UHFFFAOYSA-N 299.417 2.640 10 40 CFCB CCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)NC1=S 409148873 SZZNRGBZVUZKHX-JYRVWZFOSA-N 289.404 2.517 10 40 CFCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)c(OC)c1 12378018 MCNRHJRAFJUQTK-IZZDOVSWSA-N 295.385 2.535 10 40 CFCB Cc1cc(C)n2nc(N)c(/N=N/c3cccnc3)c2n1 3849333 CHPGNVKCECOEQJ-ISLYRVAYSA-N 267.296 2.739 10 40 CFCB CC(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 28333119 GVNAHLWEVMUIII-UHFFFAOYSA-N 260.381 2.949 10 40 CFCB Oc1ccccc1CNCc1nc2ccccc2[nH]1 1857738 GRUCHYFPKIRVKI-UHFFFAOYSA-N 253.305 2.558 10 40 CFCB CCOc1ccc(N(C)Cc2noc(C3CC3)n2)cc1 72292481 DABAXOQRACCAKK-UHFFFAOYSA-N 273.336 2.982 10 40 CFCB CCN(/C=C1\C(=O)N(c2ccccc2)N=C1C)CC 33144998 NUSAJQNGPJMWHO-KAMYIIQDSA-N 257.337 2.635 10 40 CFCB COc1ccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)cc1 19736419 IKQMETUENBGCCY-LLVKDONJSA-N 286.331 2.683 10 40 CFCB C[C@H](CCc1ccccc1)NCC(=O)c1ccc(O)c(O)c1 6491754 GEJJIDMFPAQQOR-CYBMUJFWSA-N 299.370 2.891 10 40 CFCB COCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260800724 VQMOYHJRDDBSAH-UONOGXRCSA-N 290.407 2.747 10 40 CFCB O=C(NCc1ccccc1O)c1cccc(-n2ccnc2)c1 96410482 RKPXFPUMUSBHQQ-UHFFFAOYSA-N 293.326 2.508 10 40 CFCB CC1CCN(c2ccc(CNCc3cncn3C)cc2)CC1 108423552 LPSCXWDOUUNDMO-UHFFFAOYSA-N 298.434 2.946 10 40 CFCB CN(C)Nc1cc(N)c(/N=N/c2ccccc2)c(O)n1 104187799 QXHUBMZMKDWMKV-WUKNDPDISA-N 272.312 2.673 10 40 CFCB CN(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1634267 CRMRQULUOONHLY-UHFFFAOYSA-N 253.301 2.818 10 40 CFCB CCONC(=O)c1ccc(-n2c(C)ccc2C)cc1 40017406 FCNYVWYYPVUZOS-UHFFFAOYSA-N 258.321 2.775 10 40 CFCB Nc1ccc(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1556470 JAAGLGATFVKFMM-UHFFFAOYSA-N 273.248 2.676 10 40 CFCB CC(=O)[C@H]1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12 104279738 QCQJQKMIUJOPQF-CQSZACIVSA-N 290.318 2.700 10 40 CFCB CCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 33286143 ADVDDFOENILRDO-FLIBITNWSA-N 279.386 2.916 10 40 CFCB O=C1NN=C(c2ccccc2)/C1=C/Nc1ccccc1 100438562 HVBNSMLBQXGDJD-KAMYIIQDSA-N 263.300 2.517 10 40 CFCB CCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 19399280 ULSBJEGWQLSWCT-UHFFFAOYSA-N 256.305 2.920 10 40 CFCB COC(=O)CC1CCN(Cc2ccc(N(C)C)cc2)CC1 15423838 OHJFKCWMFAMCDN-UHFFFAOYSA-N 290.407 2.528 10 40 CFCB CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1203471 XDJAPWOQONBTQU-FLIBITNWSA-N 278.402 2.584 10 40 CFCB Cc1ccc([N+]([O-])=NN2C(=O)c3ccccc3C2=O)cc1 104229972 YILHIFXETPBRJJ-UHFFFAOYSA-N 281.271 2.800 10 40 CFCB CN(C)c1ccc(/C=C\[N+](=O)[O-])cc1Br 5931594 QPADCSSBYXBDTM-WAYWQWQTSA-N 271.114 2.763 10 40 CFCB Cc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1C 7467987 ZBDUKLBDZSSBIU-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)NC1=O 214315420 IYUNFJQHXACZGE-UKTHLTGXSA-N 288.372 2.919 10 40 CFCB CCOc1cc2c(cc1O)C(=O)c1ccccc1C2=O 4568222 KYXXGIZOMUAQCD-UHFFFAOYSA-N 268.268 2.566 10 40 CFCB Oc1ccc(CNc2cccnc2Cl)cc1O 36982663 ARIHMTNRDGHKQX-UHFFFAOYSA-N 250.685 2.758 10 40 CFCB O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccncc1 101225457 NEQQHIAKBIBVME-UHFFFAOYSA-N 294.358 2.780 10 40 CFCB CCn1cc(-c2ccn(-c3ccc(N)cc3)n2)c(C)n1 12394342 YPGFYYPZQXUKTC-UHFFFAOYSA-N 267.336 2.646 10 40 CFCB CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1N 82238092 ZPXZGLKEUFRIQG-UHFFFAOYSA-N 275.283 2.891 10 40 CFCB Oc1ccc(C2=Cc3cc(O)c(O)cc3OC2)cc1 14982977 DPGRBFWWYBMPIF-UHFFFAOYSA-N 256.257 2.736 10 40 CFCB O=C(c1cccs1)C1C(=O)c2ccccc2C1=O 100937369 WPOSJVZKTZUSBO-UHFFFAOYSA-N 256.282 2.626 10 40 CFCB C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 84636779 ZIXKPJJMSPRQSE-ZDUSSCGKSA-N 299.370 2.950 10 40 CFCB COc1ccc(-n2c(C)cc(C=O)c2C)cc1[N+](=O)[O-] 136485837 DXRMFFBHLVOWTN-UHFFFAOYSA-N 274.276 2.823 10 40 CFCB C[C@H](Cc1ccccc1)NCC(=O)c1ccc(O)c(O)c1 6494144 XCVZMAGJKSOXDE-GFCCVEGCSA-N 285.343 2.501 10 40 CFCB CC[C@@](O)(CN=[N+]=[N-])[C@@H]1CCCN1C(=O)OC(C)(C)C 72207977 FIHUPWPFBYYCQP-GXFFZTMASA-N 284.360 2.837 10 40 CFCB NN[C@H](c1ccc(Cl)cc1)c1cc(F)ccc1O 199534144 LFVXNHKWGPVQJW-CYBMUJFWSA-N 266.703 2.737 10 40 CFCB Oc1cc2[nH]c3ccccc3c2cc1CN1CCOCC1 23466447 NNQYBISXSHWLSP-UHFFFAOYSA-N 282.343 2.859 10 40 CFCB N=C(N)c1ccc(OCCCCOc2ccc(N)cc2)cc1 1748621 NXTPKJUXUXKXNM-UHFFFAOYSA-N 299.374 2.791 10 40 CFCB O=C(NC1CC1)N(Cc1ccco1)Cc1ccccc1O 58016873 WXDXPOOZJPFMLR-UHFFFAOYSA-N 286.331 2.859 10 40 CFCB COc1ccc(-n2c(C)cc(CN)c2C)cc1OC 34936145 BXABVYUWNMBBIA-UHFFFAOYSA-N 260.337 2.570 10 40 CFCB NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 19473652 BGDGVWONTSRTNI-UHFFFAOYSA-N 260.259 2.513 10 40 CFCB in-vitro COc1ccccc1O[C@H](C)C(=O)Nc1ccc(N)cc1 19736432 JPLKKTYLOSTZQY-LLVKDONJSA-N 286.331 2.683 10 40 CFCB CCN(CC)C(=O)NCc1c(O)ccc2c1CCCC2 95433254 MAEBUPALVNOCIJ-UHFFFAOYSA-N 276.380 2.822 10 40 CFCB CCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 47080715 CDRUEFKJHBXYNQ-DHZHZOJOSA-N 279.386 2.916 10 40 CFCB Cc1cccc(NC2=NC(=O)/C(=C\c3cnn(C)c3)S2)c1 21791333 MKMMFYBAVXACPT-NTUHNPAUSA-N 298.371 2.811 10 40 CFCB CCCN1C(=O)/C(=C/c2ccc[nH]2)SC1=S 409329063 CNFYQMGWWBSXFC-CLFYSBASSA-N 252.364 2.626 10 40 CFCB CN1C(=O)/C(=C\c2ccccc2F)SC1=S 4596648 CNPHAXKQIXUQDS-RMKNXTFCSA-N 253.323 2.657 10 40 CFCB CC[N+](=NN1C(=O)c2ccccc2C1=O)Nc1ccccc1 408822370 MRWPRNZSLKAONS-UHFFFAOYSA-N 295.322 2.709 10 40 CFCB Oc1cc2c(cc1O)[C@@H](c1ccccc1Cl)NCC2 19691267 IHZGTTDTUCVMNX-OAHLLOKOSA-N 275.735 2.986 10 40 CFCB CCN(CC)c1ccc(CNC(=O)c2cccnc2)cc1 193745262 IMEFAPHXWHBLLQ-UHFFFAOYSA-N 283.375 2.858 10 40 CFCB CC(C)OC(=O)c1sc2nc3c(cc2c1N)CCC3 4451130 QUEBRPAKTPPRMY-UHFFFAOYSA-N 276.361 2.932 10 40 CFCB c1csc(SCCCNc2nc(C3CC3)no2)n1 89885340 LLPURCDXABJBLS-UHFFFAOYSA-N 282.394 2.998 10 40 CFCB COc1ccccc1/C=C1/SC(=S)N(C)C1=O 15011515 KVRGMVGOHHPOCN-JXMROGBWSA-N 265.359 2.526 10 40 CFCB CN(Cc1ccccc1O)C(=O)Nc1cnc(C2CC2)nc1 103239878 GPTLSVVDXZDPDE-UHFFFAOYSA-N 298.346 2.724 10 40 CFCB COC(=O)c1sc2nc(C(F)(F)F)ccc2c1N 4052776 AFVXATHGLGLCEC-UHFFFAOYSA-N 276.239 2.684 10 40 CFCB COc1ccc(O)c(CNC(=O)c2cc(C)oc2C)c1 78726275 UAUVEEKXBQMJKJ-UHFFFAOYSA-N 275.304 2.541 10 40 CFCB COc1ccccc1/C=C/C=C1\SC(=S)NC1=O 7155171 QZFPUBLUGMQZLG-NBUPAEHBSA-N 277.370 2.740 10 40 CFCB Cc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)c(C)c1 5728555 QGZJSGPFLHPSKN-VHEBQXMUSA-N 296.334 2.945 10 40 CFCB CC1=NNC(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16161068 PCWUYHREPACIJH-JYRVWZFOSA-N 297.270 2.744 10 40 CFCB CCN(C(=O)Cc1ccc(N)cc1)c1ccccc1 20185779 DAPYTBLJBBLHFV-UHFFFAOYSA-N 254.333 2.864 10 40 CFCB CC(C)(C)NCc1cc(O)c(CNC(C)(C)C)cc1O 1680953 RPELVQLBGRIUKL-UHFFFAOYSA-N 280.412 2.874 10 40 CFCB O=C1N=C(O)/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1 8743061 DLURFPXTOYDCFS-UHFFFAOYSA-N 292.294 2.943 10 40 CFCB Cc1cnn(CCF)c1NCc1ccc(N(C)C)cc1 256050022 CITHIYVNRLKDPU-UHFFFAOYSA-N 276.359 2.839 10 40 CFCB COc1ccccc1-c1nc(Cc2ccc(N)cc2)no1 217694905 ZXSHOYYMBCGWSO-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB CCCCN1C(=O)S[C@H](Nc2ccccc2OC)C1=O 12136843 JVNFIGNKMQCLIQ-LBPRGKRZSA-N 294.376 2.929 10 40 CFCB Oc1n[n+](-c2ccc(Cl)cc2)cc2ccccc12 13395950 WENMELRXJYNJOM-UHFFFAOYSA-O 257.700 2.871 10 40 CFCB CCOc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1O 9741119 XEVPWVARFVCMNW-HNNXBMFYSA-N 284.315 2.645 10 40 CFCB CCN(CC)c1ccc(/C=C2/SC(=O)NC2=O)cc1 1515318 KDTOSYKCRNPHIP-FMIVXFBMSA-N 276.361 2.857 10 40 CFCB CCOC(=O)CCNCc1ccc(N(CC)CC)cc1 19736879 IZJCAHXKXUKDSG-UHFFFAOYSA-N 278.396 2.576 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 4140589 JCIUGLPPPINZFD-MISXGVKJSA-N 288.303 2.612 10 40 CFCB CCCOc1cc(Nc2ccc(N)cc2)nc(C)n1 26478812 FJQBOFZHSBRLET-UHFFFAOYSA-N 258.325 2.900 10 40 CFCB NC(=O)Nc1ccc(C(=O)CSc2nccs2)cc1 52914690 XYQUZRYRHHJOLX-UHFFFAOYSA-N 293.373 2.609 10 40 CFCB CN(Cc1ccccc1O)C(=O)NOCc1ccccc1 71799729 WSMICFNTMKHWPE-UHFFFAOYSA-N 286.331 2.665 10 40 CFCB Oc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1O 41863528 JKZGJISOBWSJNP-SNVBAGLBSA-N 292.360 2.812 10 40 CFCB CCN1C(=O)/C(=C\c2ccccc2O)SC1=S 4579055 CRSOOYGTUYGUSS-JXMROGBWSA-N 265.359 2.613 10 40 CFCB CCCN(c1ccc(OC)cc1OC)[C@H](CC)C(=O)O 260677441 FFLNGZMFYLCGKV-GFCCVEGCSA-N 281.352 2.783 10 40 CFCB CC(C)CN1C(=O)/C(=C/c2ccc[nH]2)SC1=S 409140400 RQCJGLXBBNCQSS-POHAHGRESA-N 266.391 2.872 10 40 CFCB CC[C@H](N[C@H](CO)c1ccco1)c1ccccc1O 156135867 MAYSEHOUWFJMRY-QWHCGFSZSA-N 261.321 2.760 10 40 CFCB CC(C)(C)Cc1nc(COc2ccc(N)cc2)n[nH]1 62719613 BLZIGOHYIUSNSZ-UHFFFAOYSA-N 260.341 2.555 10 40 CFCB [N-]=[N+]=NC1(N=[N+]=[N-])C(=O)Nc2ccc(Cl)cc2C1=O 95670623 MAQDEOOPFDBWKI-UHFFFAOYSA-N 277.631 2.792 10 40 CFCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1C1CCCC1 408775574 IHEJEWJQFPWORG-MDWZMJQESA-N 289.404 2.565 10 40 CFCB CC[C@H]1CCCCCN1C(=O)Cc1ccc(N)cc1 135281854 UEMSOXCNAGZNED-HNNXBMFYSA-N 260.381 2.993 10 40 CFCB CN(C)c1ccc(CNC(=O)CCc2ccccc2O)cc1 18215241 XLVFXWWFLWVXHX-UHFFFAOYSA-N 298.386 2.707 10 40 CFCB COC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3 35140 LSPHVLFGSDPLGF-ZETCQYMHSA-N 276.361 2.790 10 40 CFCB Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2O)c1 1574902 YRZXKRQRZJMBFT-UHFFFAOYSA-N 262.261 2.918 10 40 CFCB biogenic,in-vitro Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)o1 27401664 BDIFTOUPZHLFCR-UHFFFAOYSA-N 272.348 2.926 10 40 CFCB CCOc1ccccc1NC(=O)COc1ccc(N)cc1 31895818 MOQQQLMYSMRJDU-UHFFFAOYSA-N 286.331 2.685 10 40 CFCB CC(C)Cn1cc(CNCc2ccccc2O)cn1 256055200 ZQQLPGPTWITBQL-UHFFFAOYSA-N 259.353 2.535 10 40 CFCB Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCO1 19963761 VTRCPQDFPBFTBM-SNVBAGLBSA-N 276.163 2.968 10 40 CFCB Cc1ccccc1S(=O)(=O)Nc1ccc(O)cc1 362869 AHTMJLCBLYVYHK-UHFFFAOYSA-N 263.318 2.501 10 40 CFCB O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3 4995350 ZXLDPCYWZZGRLB-UHFFFAOYSA-N 294.306 2.752 10 40 CFCB CN(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1 100772077 BVXHKFRCTLLFTR-UHFFFAOYSA-N 265.312 2.915 10 40 CFCB CO[C@H]1C[C@@H](N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 5203160 PDONKCFUOXOLLW-JHEVNIALSA-N 291.307 2.672 10 40 CFCB COC(=O)c1sc2nc3c(cc2c1N)CCCC3 2495877 GVZNNNWVSDWYFO-UHFFFAOYSA-N 262.334 2.544 10 40 CFCB Cc1cc(CNC(=O)CCc2cccnc2)ccc1N(C)C 71896274 GCEAZAWCHHSLFN-UHFFFAOYSA-N 297.402 2.705 10 40 CFCB O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12 39317 KXPQYWKYYDYOCQ-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic,in-vitro CN[C@H](Cc1ccccc1)c1cccc(OC)c1O 3953941 MNKSJKLEOTWLDU-CQSZACIVSA-N 257.333 2.904 10 40 CFCB in-vitro O=C(NCc1ccc(N2CC=CC2)cc1)NC1CCCC1 102738695 NALFMYZANFNNRY-UHFFFAOYSA-N 285.391 2.805 10 40 CFCB O=C(O)[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]12 4959625 REGZZMYIDMVSBE-KBVBSXBZSA-N 294.148 2.988 10 40 CFCB O=C(c1cc(O)cs1)N1CC[C@@H](Oc2ccccc2)C1 101140495 RKFGEHSUMOWOHO-CYBMUJFWSA-N 289.356 2.747 10 40 CFCB CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1 2231112 WAJYPZPDGRESKE-MRXNPFEDSA-N 268.316 2.574 10 40 CFCB Cc1cn2nc(Sc3nccs3)sc2n1 48894072 YFNUVNHTKJLHNY-UHFFFAOYSA-N 254.365 2.707 10 40 CFCB CN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 12695008 TXSBXVQHBRKRBC-PPVYKKJJSA-N 251.332 2.667 10 40 CFCB Oc1cc2ccc3c(c2cc1O)CCc1cn[nH]c1-3 4772255 XPEHQRXYXFVTQI-UHFFFAOYSA-N 252.273 2.740 10 40 CFCB CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2C)cc1 5851937 XPECVEUZBXYCSQ-MRXNPFEDSA-N 281.359 2.631 10 40 CFCB O=C1C(c2ccccc2)=S=C2c3ccccc3C=CN12 82067868 QWZRURKKBQQDLY-UHFFFAOYSA-N 277.348 2.945 10 40 CFCB COc1ccc([C@H]2COc3cc(O)c(O)cc3C2)cc1 5758746 HEMAEFVLALEJDS-GFCCVEGCSA-N 272.300 2.825 10 40 CFCB CC(=O)CCNc1ccc2c(c1)C(=O)c1ccccc1C2=O 4830828 PPBGFNKETWJGRT-UHFFFAOYSA-N 293.322 2.853 10 40 CFCB CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 95399833 KYSFKEAZQKYRJA-UHFFFAOYSA-N 297.420 2.877 10 40 CFCB CCCNC(=O)CSc1ncc(-c2ccccc2)n1C 5175054 AWUXLMZPPXJMLQ-UHFFFAOYSA-N 289.404 2.705 10 40 CFCB CCCN(c1ccc(OC)cc1)[C@@H](CC)C(=O)O 224998024 FRTLQOMMRSDBNE-ZDUSSCGKSA-N 251.326 2.775 10 40 CFCB COc1ccc2c(c1C)C(=O)c1ccccc1C2=O 225782481 AMNYMQBRASXKOX-UHFFFAOYSA-N 252.269 2.779 10 40 CFCB CC1(C)CC2=NOS3=C2C(=NO3)[C@H]1c1ccccn1 17175975 QLFVKGGFKNQVBB-VTZGEWFSSA-N 275.333 2.639 10 40 CFCB Nc1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1 16449414 PURIDTLWILBKIN-UHFFFAOYSA-N 272.260 2.534 10 40 CFCB CC1=NNC(=O)/C1=C\Nc1cc(Cl)cc(Cl)c1 13399398 IGUVTDJNAMEDTF-YHYXMXQVSA-N 270.119 2.795 10 40 CFCB CNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 485565 VWZKLCNNYBRXDJ-UHFFFAOYSA-N 290.322 2.792 10 40 CFCB biogenic CSC1=NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1 6182742 XOBQIOWTTBOWOA-BJMVGYQFSA-N 279.342 2.749 10 40 CFCB Oc1ccccc1C1=NN[C@H](c2ccccc2O)S1 408723200 PGLBAXNNYIZILZ-ZDUSSCGKSA-N 272.329 2.795 10 40 CFCB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)CN=[N+]=[N-] 72208006 YMLNSHJEYSSVOM-ZWNOBZJWSA-N 284.360 2.837 10 40 CFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cnn(C)c1 6788395 NGGQFMBKQXMTJJ-OVCLIPMQSA-N 280.331 2.535 10 40 CFCB Cc1cc(N2CCCC2)c(F)cc1CN1CC[C@@H](CO)C1 12147830 JAWARLOOLMLEGO-CQSZACIVSA-N 292.398 2.549 10 40 CFCB O=S(=O)(O)NNc1ccc(/N=N/c2ccccc2)cc1 17860861 TZKDKKHSIYNFRY-BUHFOSPRSA-N 292.320 2.821 10 40 CFCB O=[N+]([O-])c1cc2c(cc1Cl)nc1ccccc1[n+]2[O-] 76495209 PSAIUPKVVKWZEG-UHFFFAOYSA-N 275.651 2.583 10 40 CFCB COCc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 8171124 DMKYTSNAGDIIDB-UHFFFAOYSA-N 298.386 2.829 10 40 CFCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccco1 409146795 KTRPAKUCSMJZMA-XFXZXTDPSA-N 298.323 2.680 10 40 CFCB CCOC(=O)c1cc(-c2csnn2)c(CN=[N+]=[N-])o1 670421532 XITKYHDZAMCBIY-UHFFFAOYSA-N 279.281 2.785 10 40 CFCB CCO/C=C1/SC(=S)N(c2ccccc2OC)C1=O 2170499 KIUXBQAWUVLCLK-DHZHZOJOSA-N 295.385 2.938 10 40 CFCB Nc1ccc(N2CCN(c3ccccc3)CC2)cc1 8030912 TVBJVJRUQPPRJS-UHFFFAOYSA-N 253.349 2.595 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(C)o2)SC1=S 6205504 OKHPHYQKFXZMHG-TWGQIWQCSA-N 253.348 2.809 10 40 CFCB O=C1NC(=S)S/C1=C\c1ccc2ncccc2c1 9908493 ZFGAUFCQRUSRCF-XFFZJAGNSA-N 272.354 2.724 10 40 CFCB COc1ccc(-n2c(C)cc(C=O)c2C)cc1OC 19422001 VXJYQMDQTVBTJZ-UHFFFAOYSA-N 259.305 2.924 10 40 CFCB CN(C)c1ccc([C@@H](Cc2ccccc2)NCCO)cc1 5849334 VFUWFRYDGAVPAO-GOSISDBHSA-N 284.403 2.618 10 40 CFCB Cc1ccc(NC(=O)COc2ccc(N)cc2)cc1 19270681 ZEMSAIAAJKVQLU-UHFFFAOYSA-N 256.305 2.595 10 40 CFCB COc1ccc(N2CCN(C(=O)CCC(C)C)CC2)cc1 32976283 SSFUKGFUCIWGAR-UHFFFAOYSA-N 290.407 2.780 10 40 CFCB CN(C)c1ccc([C@@H]2NC(=O)c3ccccc32)cc1 6273526 USIGTOKZBCNDGL-HNNXBMFYSA-N 252.317 2.585 10 40 CFCB Cc1cccc2c1NC(=O)[C@@]21NN=C(c2ccccc2)S1 2488945 XJNZELGDTVCYJB-MRXNPFEDSA-N 295.367 2.798 10 40 CFCB Cc1ccc(/N=N/[C@@H]2C(=O)NN(c3ccccc3)C2=O)cc1 100353204 GUYUPWKVBCLPRK-IAFNSTAXSA-N 294.314 2.525 10 40 CFCB Cc1occc1-c1n[nH]c(N)c1-c1ccc2c(c1)OCO2 37349453 UEYCFJRLIWALNM-UHFFFAOYSA-N 283.287 2.956 10 40 CFCB CO[C@H]1C[C@H](N=[N+]=[N-])[C@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 5431147 QPIUTUWBOILDRM-QNSTZXKLSA-N 291.307 2.541 10 40 CFCB Cc1cccc(OCC(=O)Nc2ccc(N)cc2)c1C 20327183 PFCZSNULQWKYKG-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CCc1ccc(/N=N/c2c(N)nn3c(=O)cc(C)[nH]c23)cc1 96191607 PDTAQDKTINXZLR-VHEBQXMUSA-N 296.334 2.891 10 40 CFCB CCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(O)c1 30542677 FXQZNQGOFZLLRM-OAHLLOKOSA-N 284.315 2.684 10 40 CFCB Cc1ccc(-n2c(C)cc(C(=O)N3CCOCC3)c2C)cc1 10742003 XBZBDVSVWXAXSS-UHFFFAOYSA-N 298.386 2.875 10 40 CFCB Cc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1 16124009 MGGCITJJRCVQFG-UHFFFAOYSA-N 267.376 2.904 10 40 CFCB CCN1C(C)=C(C)S/C1=C1\SC(=S)NC1=O 100702295 HVWNZLDRLVIZMX-CLFYSBASSA-N 272.420 2.624 10 40 CFCB CCOC(=O)[C@H](/N=N\c1ccccc1)C(=O)c1ccncc1 104369708 VSGWFHRCBLPDBN-ORIGZDJFSA-N 297.314 2.980 10 40 CFCB Cc1ccc(N2NC(=O)/C(=C\c3cccs3)C2=O)cc1C 368287 JIXMRJVNOQHYKD-NTEUORMPSA-N 298.367 2.826 10 40 CFCB Cc1ccc2c(c1)[C@]1(NN=C(c3ccccc3)S1)C(=O)N2 94325 FREUDXYIZICEHS-MRXNPFEDSA-N 295.367 2.798 10 40 CFCB Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 19736283 IWNZSNJGLVHTSU-UHFFFAOYSA-N 276.723 2.940 10 40 CFCB Cc1cc(O)c([C@@H](NN)c2ccccc2)cc1Cl 199534447 GCRCJXCOKKOYPD-AWEZNQCLSA-N 262.740 2.907 10 40 CFCB Cc1cc(C(=O)N2CCOCC2)c(C)n1-c1ccccc1 9910753 GCGNJOQVTGOGNZ-UHFFFAOYSA-N 284.359 2.567 10 40 CFCB COc1ccc(-n2c(C)cc(C(=O)n3ccnc3)c2C)cc1 13687820 YQPQSNWRUZQTPQ-UHFFFAOYSA-N 295.342 2.988 10 40 CFCB C[C@@H](CNC(=O)c1ccc(O)c(O)c1)c1cccs1 97235348 LPZBIJPNPZVBLY-VIFPVBQESA-N 277.345 2.693 10 40 CFCB CCc1cc2c(cc1OC(C)=O)C(=O)c1ccccc1C2=O 4568230 LVASLUOFXLRUHE-UHFFFAOYSA-N 294.306 2.950 10 40 CFCB Nc1ccc(Nc2cc(N3CCCCC3)ncn2)cc1 217512755 ZRTWSGANTPNKBD-UHFFFAOYSA-N 269.352 2.793 10 40 CFCB CCN1C(=O)/C(=C/c2c(C)nn(CC)c2C)SC1=S 17023832 PPHSQJYZCZGYLM-XFFZJAGNSA-N 295.433 2.741 10 40 CFCB CN(C)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1F 69453023 PTGBFIWGEALULI-ZDUSSCGKSA-N 276.355 2.864 10 40 CFCB O=C1NC(=S)S/C1=C\Nc1ccc(Cl)cc1 584906296 WTCSAICRBJKKME-YVMONPNESA-N 270.766 2.741 10 40 CFCB Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1 26644848 PIBQBVVEKOXUHV-UHFFFAOYSA-N 263.304 2.864 10 40 CFCB Cc1ncsc1CNCc1ccc2c(c1)CCO2 71212971 AJJZSCGYMHRNRT-UHFFFAOYSA-N 260.362 2.676 10 40 CFCB CN(C(=O)/C=C/c1cn(C)c2ccccc12)c1cnn(C)c1 74958155 XDWNYEBQMNVLFX-CMDGGOBGSA-N 294.358 2.588 10 40 CFCB CCn1c(O)c(/N=N/C(=O)C(C)(C)O)c2ccccc21 103561275 CLSOLBAHTIRKIK-FOCLMDBBSA-N 275.308 2.748 10 40 CFCB Cc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccccc23)cc1 94337 BBMMLAFHBKDVAL-INIZCTEOSA-N 295.367 2.798 10 40 CFCB O=C(O)CCN1C(=O)/C(=C/[C@H]2CC=CCC2)SC1=S 5830323 HTLXXFIVEOKRQN-CUQRQBARSA-N 297.401 2.562 10 40 CFCB Cc1cc(C(=O)NCC2CC2)c(C)n1-c1ccccn1 84081365 NNJGHSGZFMWERS-UHFFFAOYSA-N 269.348 2.629 10 40 CFCB Cc1cccc(-n2c(C)cc(C(=O)N[C@H](C)CO)c2C)c1 97204810 MDGYGHCTXZSYEV-GFCCVEGCSA-N 286.375 2.513 10 40 CFCB COc1cccc(CN2CCN(c3ccccc3)CC2)c1O 57537496 VEKVWLDGESNUCV-UHFFFAOYSA-N 298.386 2.723 10 40 CFCB COCCCc1nc(-c2ccc(O)c(O)c2)cs1 49079050 FSCGOVHLDZDRPD-UHFFFAOYSA-N 265.334 2.800 10 40 CFCB CN(C)CCN(Cc1ccccc1)Cc1ccccc1O 19360903 ZDKASHDKXYAXHK-UHFFFAOYSA-N 284.403 2.956 10 40 CFCB Nc1ccc(CC(=O)Nc2c(F)cccc2F)cc1 20185875 IKBXSNBJIRASRQ-UHFFFAOYSA-N 262.259 2.728 10 40 CFCB Cc1cccc(NC(=O)COc2ccc(N)cc2)c1C 31895808 NXYFJGUGGMJCKY-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC(=O)C2=O 4655104 ANPHVANSJXDRTP-LDDOYCOJSA-N 284.355 2.996 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]12 4003811 JCIUGLPPPINZFD-UHIISALHSA-N 288.303 2.612 10 40 CFCB Nc1ccc(OC[C@H]2CCCN3CCCC[C@@H]23)cc1 115051647 TZQRDGBYUMWAIM-CJNGLKHVSA-N 260.381 2.912 10 40 CFCB O=C(c1ccccc1)N1CCc2cccc(O)c2C1 146982404 DMVZYNCONKUBBB-UHFFFAOYSA-N 253.301 2.591 10 40 CFCB CN(C)c1ccc(CNC(=O)c2cccc(F)c2)cc1 15134388 JYKLCPJPWQCXGI-UHFFFAOYSA-N 272.323 2.822 10 40 CFCB CN(Cc1ccccc1)Cc1cc(C(=O)O)ccc1O 96530270 CVTARWRNXAQNBO-UHFFFAOYSA-N 271.316 2.722 10 40 CFCB CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4579052 LCYCDCHEFYTADW-DHZHZOJOSA-N 279.386 2.916 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)O[C@H]2CCOC2=O)cc1 4541571 MQAASOWWODDGQG-HNNXBMFYSA-N 299.326 2.566 10 40 CFCB CCc1ccc(/C=C\c2ccc(O)c(O)c2)[n+](C)c1 5049330 VKQDPSKDUTWMLV-UHFFFAOYSA-O 256.325 2.655 10 40 CFCB O=C1c2ccccc2C(=O)c2c1c([N+](=O)[O-])c1ccccn21 196805617 WSWRXXYAXBCNQY-UHFFFAOYSA-N 292.250 2.623 10 40 CFCB CN(Cc1cccc(F)c1)Cc1cc2c(cc1O)OCO2 7077620 VXONBYWXAYSOBM-UHFFFAOYSA-N 289.306 2.892 10 40 CFCB C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccccc2O)C1 71903214 RQFRZZHIQAYTNC-TZMCWYRMSA-N 277.364 2.604 10 40 CFCB C[C@H]1CCCCN1c1cc2c(cc1[N+](=O)[O-])OCO2 32500110 XAYSSVFRLFFPMI-VIFPVBQESA-N 264.281 2.702 10 40 CFCB O=C(O)/C=C\c1ccc(N(CCF)CCF)cc1 17354377 LPQKXKSZIYNKSF-UTCJRWHESA-N 255.264 2.530 10 40 CFCB C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1O 20124375 CFHSVPVWWDEVBW-LLVKDONJSA-N 271.316 2.972 10 40 CFCB C[C@@H]1C[C@@H]2c3cccc4c3c(cn4CO)C[C@@H]2N(C)C1 6266283 ZRSYFDQOVJPDJB-XFJVYGCCSA-N 270.376 2.571 10 40 CFCB O=C(CC(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1 100474260 HUBPJGKAHBSLKO-UHFFFAOYSA-N 292.290 2.524 10 40 CFCB Cc1cccc(OCC(=O)Nc2ccc(N)cc2)c1 19736105 YZMORKDDQKKMHG-UHFFFAOYSA-N 256.305 2.595 10 40 CFCB COc1cc(OC)c(NC(=O)CN=[N+]=[N-])cc1Cl 100035892 KFPPQNQEDCJTMV-UHFFFAOYSA-N 270.676 2.606 10 40 CFCB COC(=O)c1sc2nc3ccc(OC)cc3cc2c1N 422050 XRJKHUHLPVGTCL-UHFFFAOYSA-N 288.328 2.827 10 40 CFCB CN(C)/N=N\c1c(Cl)cc(Cl)cc1C(N)=O 100374403 LDIHNYMWLCYIFQ-YPKPFQOOSA-N 261.112 2.653 10 40 CFCB Cc1ccc([C@@H]2O[C@@]2(C(=O)C=[N+]=[N-])c2ccccc2)cc1 5568092 ZVOZVRJWLRUPSR-DLBZAZTESA-N 278.311 2.832 10 40 CFCB CCCCCNC(=O)CN1CCCc2cc(OC)ccc21 12589612 KIOUVXNPLQPEMI-UHFFFAOYSA-N 290.407 2.754 10 40 CFCB CC1CCN(C2=NC(=O)/C(=C\c3cccnc3)S2)CC1 4748084 VVWDZNRXAJTUPK-UKTHLTGXSA-N 287.388 2.784 10 40 CFCB COc1ccc(/C=C/C(=O)Nc2ccc(N)cc2)cc1 63063503 OZQIJDNWAGNBRC-NYYWCZLTSA-N 268.316 2.929 10 40 CFCB C[C@H]1CCC[C@@H](OCC(=O)NCc2ccccc2O)C1 71903215 RQFRZZHIQAYTNC-GXTWGEPZSA-N 277.364 2.604 10 40 CFCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1cccnc1 18126412 LEPOSNYEOKIVNO-MDWZMJQESA-N 297.339 2.870 10 40 CFCB CCc1nc(C=S(C)(C)=O)c2cc(Cl)ccc2n1 218782386 VIGUMUAJIGKPBE-UHFFFAOYSA-N 282.796 2.540 10 40 CFCB O=C1NN=C(c2ccccc2)/C1=C/Nc1ccc(F)cc1F 100411624 YZAUNXQNVLORIX-XFXZXTDPSA-N 299.280 2.795 10 40 CFCB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N=[N+]=[N-])CO2 91690309 UDHNULJFEZNBKB-JTQLQIEISA-N 282.344 2.855 10 40 CFCB CN(C(=O)c1cccnc1-c1cncn1C)c1ccccc1 257261098 LFRWRGQGXOEUDM-UHFFFAOYSA-N 292.342 2.759 10 40 CFCB Cc1nc(Nc2ccc(N)cc2)cc(N2CCCC2)n1 206579739 PGHINDNKQBUJCJ-UHFFFAOYSA-N 269.352 2.711 10 40 CFCB O=C1N=C(N2CCCCC2)S/C1=C\c1ccccn1 32402 ZYDSSQMVJZAWDQ-BENRWUELSA-N 273.361 2.538 10 40 CFCB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O 4742853 ANPHVANSJXDRTP-BSXFFOKHSA-N 284.355 2.996 10 40 CFCB endogenous,in-man C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C)C3=O)ccc2O1 16810373 UBSKXNGUCFCSGJ-HLPMDPMVSA-N 291.397 2.841 10 40 CFCB Cc1cc(C(=O)O[C@H]2CCOC2=O)c(C)n1-c1ccccc1 3263260 IDZJLWQVQZPIEC-HNNXBMFYSA-N 299.326 2.566 10 40 CFCB O=C1N=C(N2CCCC2)SC1=C1CCCCC1 4816033 ILXJENYPPAMINX-UHFFFAOYSA-N 250.367 2.930 10 40 CFCB Cc1ccc2c(c1)CCN2C(=O)c1ccc(O)c(O)c1 97235385 VVGLPYAZWYWVDQ-UHFFFAOYSA-N 269.300 2.609 10 40 CFCB COC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 12417706 BMWLBGKFTPYURV-UHFFFAOYSA-N 285.328 2.727 10 40 CFCB CC1=NNC(=O)/C1=C\Nc1ccc(C(F)(F)F)cc1 100151359 HHNFWBFRNOSYQG-POHAHGRESA-N 269.226 2.507 10 40 CFCB Cc1occc1-c1cc(N)n(CCOC(=O)CC(C)C)n1 58421076 ORRHWJPQCPISJO-UHFFFAOYSA-N 291.351 2.623 10 40 CFCB CC(C)c1noc(-c2cn(Cc3ccc(N)cc3)cn2)n1 72221254 FXGRAHJOALGBKU-UHFFFAOYSA-N 283.335 2.687 10 40 CFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/N(C)C 100105448 MBJMJYPYKUDTHY-JLHYYAGUSA-N 275.327 2.774 10 40 CFCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1c(C)n[nH]c1C 100531039 GUYBVBZHNMNWID-HLAUDOPJSA-N 296.334 2.902 10 40 CFCB CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)N(CC)CC 5732668 XVPXRVPMLURFFP-SSZFMOIBSA-N 290.407 2.998 10 40 CFCB Cc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccccc23)cc1 94333 BBMMLAFHBKDVAL-MRXNPFEDSA-N 295.367 2.798 10 40 CFCB CCCc1noc(-c2cn(Cc3ccc(N)cc3)cn2)n1 72221255 LKFDQBDPMIMBSV-UHFFFAOYSA-N 283.335 2.516 10 40 CFCB CN(C)Cc1cc(C(C)(C)C)cc(N2CCOCC2)c1O 1683259 WDWZMTLYIOLOEH-UHFFFAOYSA-N 292.423 2.588 10 40 CFCB CCN(c1ccc(OC)c(Cl)c1)[C@@H](C)C(=O)O 225002700 GOKJVUCVPQCWET-QMMMGPOBSA-N 257.717 2.648 10 40 CFCB CC[C@@H](N[C@H](CO)c1ccco1)c1ccccc1O 156135996 MAYSEHOUWFJMRY-CHWSQXEVSA-N 261.321 2.760 10 40 CFCB O=C1NN=C/C1=C\Nc1ccc(Oc2ccccc2)cc1 100438584 CPAGAGPFFPKQTA-ZRDIBKRKSA-N 279.299 2.890 10 40 CFCB Cc1ccc(N/C=C2\C(=O)NN=C2c2ccccc2)cc1 6565322 GXMUEDNNVBOYLL-PTNGSMBKSA-N 277.327 2.825 10 40 CFCB CN(Cc1ccccc1O)S(=O)(=O)CC1CCCCC1 71916217 NAMGXCJLUOJAJC-UHFFFAOYSA-N 297.420 2.734 10 40 CFCB Cc1cc(C)cc(OCC(=O)Nc2ccc(N)cc2)c1 19736363 QFLJOGBCIAHSKF-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CC(C)(C)[C@]1(O)CN(c2ccccc2)C2=[N+]1CCCS2 3226882 FERUFWIXUBTLBN-MRXNPFEDSA-N 291.440 2.747 10 40 CFCB CC(C)(C)[C@@H]1C[C@H](C(C)(C)C)C(=O)C(=[N+]=[N-])C1=O 16322765 YJPAXEHZSANGLT-DTORHVGOSA-N 250.342 2.524 10 40 CFCB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)c1ccccc1 24043766 XOWXPZCGPBWCFU-ZHACJKMWSA-N 269.348 2.713 10 40 CFCB CCN/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 6754773 QKVYRGCKLNPGKQ-WQLSENKSSA-N 263.728 2.556 10 40 CFCB COc1ccc(-c2nc(Cc3ccc(N)cc3)no2)cc1 217690340 DSOUXWGAUNZUFP-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB O=C1C[C@@H](c2ccc(O)c(O)c2)Nc2ccccc21 504823516 JTSZDGDXZORZCB-LBPRGKRZSA-N 255.273 2.837 10 40 CFCB O=C1c2ccccc2-c2nnc(-c3ccncc3)cc21 1382381 OUHIQVNSBFGJOK-UHFFFAOYSA-N 259.268 2.750 10 40 CFCB COc1ccccc1OCCOc1ccc(N)cc1 6678588 XHAJWEMCIKBOIB-UHFFFAOYSA-N 259.305 2.735 10 40 CFCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1 344841 CVIUSVUSYBNSDG-NTEUORMPSA-N 298.729 2.801 10 40 CFCB Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccccc1 70692514 DJNIGKNTKKOLQO-UHFFFAOYSA-N 254.333 2.940 10 40 CFCB COCCNCc1cc(C)n(-c2cccc(OC)c2)c1C 223674455 SDWOFLOJZFLZGF-UHFFFAOYSA-N 288.391 2.839 10 40 CFCB COc1ccc(-c2ccc(/C=C3/C(=O)NN=C3C)o2)cc1 522021 XLXHOZBDAYLJAG-NTEUORMPSA-N 282.299 2.844 10 40 CFCB CN1C(=O)/C(=C2/C=Cc3ccccc3N2C)SC1=S 100531047 GUSWJYDVFDIBNH-VAWYXSNFSA-N 288.397 2.851 10 40 CFCB C[C@H](c1cc(C(C)(C)C)ccc1O)N1CCNCC1 22014387 OGDLMQYRKKMBJF-GFCCVEGCSA-N 262.397 2.656 10 40 CFCB CC[C@@H]1CCCCCN1C(=O)Cc1ccc(N)cc1 135281834 UEMSOXCNAGZNED-OAHLLOKOSA-N 260.381 2.993 10 40 CFCB CCCC1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 96191653 KZAVDNYQMSPFNU-KRMPGRMBSA-N 288.332 2.699 10 40 CFCB Cc1nn(CC(C)C)cc1NCc1ccc(O)cc1O 256053041 PTCUPLPWTFLZBO-UHFFFAOYSA-N 275.352 2.871 10 40 CFCB CC(=O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16139021 KZCOEIPBWBBLNQ-VQDMZCOGSA-N 289.381 2.991 10 40 CFCB Oc1ccccc1C1=NN[C@@H](c2ccccc2F)C1 4897926 XMDMAAGFWYQMJD-CYBMUJFWSA-N 256.280 2.970 10 40 CFCB CCOc1cccc(CNc2ccc(C(N)=O)cc2)c1O 19911419 UDDWAKMZUFITJS-UHFFFAOYSA-N 286.331 2.502 10 40 CFCB Cc1ccc(CN(C)C(=O)c2cccc(O)c2O)s1 193015700 PDHGKWZQRMQVQC-UHFFFAOYSA-N 277.345 2.740 10 40 CFCB Oc1cc2c(cc1O)[C@H](c1cccc(Cl)c1)NCC2 19691257 FHVLQGIZVDLJRB-HNNXBMFYSA-N 275.735 2.986 10 40 CFCB C[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(N)cc1 225489482 TZIDXUNHCZPREU-ZDUSSCGKSA-N 280.371 2.785 10 40 CFCB O=C1CSC(=S)N1c1ccccc1OC(F)F 98086489 XQJDSWOWHOUKSK-UHFFFAOYSA-N 275.301 2.653 10 40 CFCB CCOC(=O)[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]12 4140590 JCIUGLPPPINZFD-MJVIPROJSA-N 288.303 2.612 10 40 CFCB CN(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 20185820 FMTKQJISYJNDTR-UHFFFAOYSA-N 269.348 2.516 10 40 CFCB COCCOc1ccccc1C(=O)Nc1ccc(N)cc1 19736782 CVOKIEZBIUOTNX-UHFFFAOYSA-N 286.331 2.546 10 40 CFCB C[C@H](CNC(=O)c1ccc(O)c(O)c1)c1ccsc1 97235358 SYZYKYHXQVIHNB-SECBINFHSA-N 277.345 2.693 10 40 CFCB [N-]=[N+]=NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 103043708 LXSLPIWBUCRILP-JTQLQIEISA-N 285.263 2.861 10 40 CFCB O=C1NC(=S)/C(=C\c2ccc3c(c2)OCO3)S1 5032631 BAAVAAUJBBZLNM-RUDMXATFSA-N 265.315 2.540 10 40 CFCB Cc1ccccc1/N=N/c1c(N)nn2c(C)cc(=O)[nH]c12 5728682 MYYFMYJJKNFGDX-ISLYRVAYSA-N 282.307 2.637 10 40 CFCB CCO/C=C1\SC(=S)N(c2cccc(O)c2)C1=O 1644646 XSOJOURMWYLYHO-YFHOEESVSA-N 281.358 2.635 10 40 CFCB Nc1nc(=S)n(N)c(N)c1N=Nc1ccc(Cl)cc1 245239626 LFHFCVPACJWBCR-UHFFFAOYSA-N 295.759 2.560 10 40 CFCB Cc1occc1C(=O)N(C)Cc1ccc(N(C)C)cc1 23744852 JHYRDWHETDNIQX-UHFFFAOYSA-N 272.348 2.926 10 40 CFCB CCCc1n[nH]c(=S)n1NCc1ccc(N(C)C)cc1 7365447 JMEYSXFDSRUABX-UHFFFAOYSA-N 291.424 2.703 10 40 CFCB CS(=O)(=O)c1ccc(Oc2ccc(N)cc2)c(F)c1 15443649 PPLWUOXLDFUNIY-UHFFFAOYSA-N 281.308 2.604 10 40 CFCB Oc1c(Cl)cccc1CN1CCC[C@@H]1Cn1ccnc1 188411808 HHGZZPZYWNRITC-CYBMUJFWSA-N 291.782 2.907 10 40 CFCB CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1668536 LCYCDCHEFYTADW-FLIBITNWSA-N 279.386 2.916 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 13590457 MDFYSJXRYHZMOX-LCYFTJDESA-N 297.270 2.994 10 40 CFCB Nc1nc(=S)n(N)c(N)c1/N=N\c1ccc(Cl)cc1 68602462 LFHFCVPACJWBCR-MSUUIHNZSA-N 295.759 2.560 10 40 CFCB COc1ccc([C@H]2Oc3ccccc3C(=O)C2=O)cc1 218571619 XNOITWUHMSDBAL-MRXNPFEDSA-N 268.268 2.581 10 40 CFCB Cc1ccc(O)c([C@H]2NC(=O)c3ccccc3N2)c1 290891 UTFRIBOOAYXWMS-CQSZACIVSA-N 254.289 2.555 10 40 CFCB COc1ccc(N/C=C2/C(=O)NN=C2c2ccccc2)cc1 3210345 UBWQNQVAKPXAMP-RVDMUPIBSA-N 293.326 2.525 10 40 CFCB CCS(=O)(=O)c1ccccc1Oc1ccc(N)cc1 38056423 RNLGIFBQBIGGTA-UHFFFAOYSA-N 277.345 2.855 10 40 CFCB in-vitro CCN(CC)c1ccc(/C=C2\SC(=O)NC2=O)cc1 14358538 KDTOSYKCRNPHIP-XFXZXTDPSA-N 276.361 2.857 10 40 CFCB CCOC(=O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 12404109 SUGWMTABQUGZKF-OLUVUFQESA-N 288.303 2.612 10 40 CFCB COc1ccc(-c2nnc(Cc3ccc(N)cc3)o2)cc1 217695122 VDLVIMQNOZWKKY-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB CCCN(CCCC(=O)O)c1ccc(OC)cc1OC 225000481 KFBUPWHCDBECMN-UHFFFAOYSA-N 281.352 2.785 10 40 CFCB CC(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 48366033 ZCWLHFZZLVWGCF-UHFFFAOYSA-N 292.448 2.902 10 40 CFCB C[C@H]1C[C@H]2c3cccc4c3c(cn4CO)C[C@@H]2N(C)C1 1575225 ZRSYFDQOVJPDJB-PJODQICGSA-N 270.376 2.571 10 40 CFCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccncc1 100148322 QRVAUZYSOAQOBD-RVDMUPIBSA-N 263.300 2.888 10 40 CFCB [N-]=[N+]=CC(=O)[C@@]1(c2ccccc2)O[C@H]1c1ccccc1 5568086 NOPIJYBBZPUPHE-JKSUJKDBSA-N 264.284 2.523 10 40 CFCB COc1ccc(N(C)Cc2nnsc2Cl)c(OC)c1 95434286 GISUJEZMEMWGEF-UHFFFAOYSA-N 299.783 2.845 10 40 CFCB C[C@H](CCc1cccn1C)NCc1ccccc1O 95961940 FAGOAOSEJLIRFM-CYBMUJFWSA-N 258.365 2.842 10 40 CFCB COc1ccc(C(=O)Nc2ccc(N)cc2)c(OC)c1 19273790 MHSKGBFZPFLXNM-UHFFFAOYSA-N 272.304 2.538 10 40 CFCB CNCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 1588008 MUJOHBILDJQHEF-UHFFFAOYSA-N 281.311 2.885 10 40 CFCB CCOC(=O)C(/N=N\c1ccc(O)cc1)=C(\C)O 104136488 LHCCVJIVDUBHRD-GSDNHOAWSA-N 250.254 2.829 10 40 CFCB COC(=O)c1ccc(/C=C2/SC(=O)NC2=S)cc1 5032628 YQEWVSSEEWAWFP-RMKNXTFCSA-N 279.342 2.598 10 40 CFCB CC[C@H]1CN(Cc2c(O)ccc3ccncc23)CCO1 27537822 ITEKRGHJHCTCAE-ZDUSSCGKSA-N 272.348 2.551 10 40 CFCB Cc1ccc(C(=O)NCCCSc2nccs2)o1 71907636 PFZAVOMZVWEIIV-UHFFFAOYSA-N 282.390 2.957 10 40 CFCB Cc1ccc(-n2cnc3c2C(=O)c2ccccc2C3=O)cc1 13136733 SWMHZFFGIZDGFW-UHFFFAOYSA-N 288.306 2.956 10 40 CFCB CC(C)c1ccc(/C=C2\SC(=S)N(CO)C2=O)cc1 13549419 FKLFWGMWBFFWIZ-GHXNOFRVSA-N 293.413 2.961 10 40 CFCB N=C1/C(=C\c2ccc[nH]2)C(=O)N=C2Sc3ccccc3N12 31989386 NURSRGAHXXWLHY-YDXUAOLHSA-N 294.339 2.884 10 40 CFCB CCCOC(=O)c1sc2nc(C)c(C(C)=O)cc2c1N 3201653 RMRYRRLRNMGSGC-UHFFFAOYSA-N 292.360 2.956 10 40 CFCB CCOC(=O)C(/N=N\c1ccc(O)cc1)=C(/C)O 104136493 LHCCVJIVDUBHRD-SOAFUOFCSA-N 250.254 2.829 10 40 CFCB O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12 3871176 GSAOUZGPXSGVRS-UHFFFAOYSA-N 254.241 2.871 10 40 CFCB biogenic,in-vivo CCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 1013889 ORGUKGCVPXVCJP-FLIBITNWSA-N 279.386 2.916 10 40 CFCB COc1ccc(CN2COc3cc4c(cc3C2)OCO4)cc1 54991646 VKHGBOUHPVIALS-UHFFFAOYSA-N 299.326 2.776 10 40 CFCB N=C1NN2[C@H](c3cc(Cl)ccc3O)S[CH][C@H]2S1 409416313 OUOBGRGRULHCBV-BDAKNGLRSA-N 286.789 2.767 10 40 CFCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccnc1 33340395 VOWHDCYRDGAISR-XYOKQWHBSA-N 299.380 2.882 10 40 CFCB O=C1c2ccccc2C(=O)C1c1ccc(Cl)cn1 101415554 JSWXVGNGTZOARL-UHFFFAOYSA-N 257.676 2.898 10 40 CFCB O=[N+]([O-])c1ccc(O)c(CNC2CCCCC2)c1 1644057 HWHMRTDNJFFEIT-UHFFFAOYSA-N 250.298 2.723 10 40 CFCB O=C1N=C(S)N(c2ccccc2)C(=O)/C1=C\c1ccco1 8837664 FRHKAWLBQUZJAR-XFXZXTDPSA-N 298.323 2.522 10 40 CFCB Cc1ccc(O)c(/C=C2\SC(=S)N(C)C2=O)c1 33317145 RCFRVMIOWBCMBF-POHAHGRESA-N 265.359 2.532 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 12404101 KUJYFFKMYKZTTF-COPLHBTASA-N 261.296 2.843 10 40 CFCB CCN1C(=O)/C(=C\Nc2ccc(F)cc2)SC1=S 6169074 KNRZFPSMGKPFFL-JXMROGBWSA-N 282.365 2.959 10 40 CFCB CC[C@H](C)n1ccc(NCc2ccc(O)cc2O)n1 256053566 RZBOWQJZRDPHTG-JTQLQIEISA-N 261.325 2.877 10 40 CFCB CN(Cc1ccccc1O)C(=O)c1n[nH]c2ccccc12 42117224 UQFWMGLRFOEUTR-UHFFFAOYSA-N 281.315 2.541 10 40 CFCB Nc1ccc(OCc2n[nH]c(-c3ccccc3)n2)cc1 62719551 UUKHEWYWZWIRLN-UHFFFAOYSA-N 266.304 2.633 10 40 CFCB Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 9353066 IXPPRTBZHPTQCM-UHFFFAOYSA-N 262.268 2.647 10 40 CFCB biogenic,in-vivo CCN(c1ccc(OC)c(Cl)c1)[C@H](C)C(=O)O 260677485 GOKJVUCVPQCWET-MRVPVSSYSA-N 257.717 2.648 10 40 CFCB O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2c(O)c(O)ccc12 8379245 UVNAKQKRGANHMN-UHFFFAOYSA-N 299.238 2.779 10 40 CFCB CCn1ncc(NCc2ccc(N(C)C)cc2)c1C 256054923 YJMILVNKBUFMBT-UHFFFAOYSA-N 258.369 2.890 10 40 CFCB CC(C)(C)C1(C)OC(=O)C(=Cc2cccs2)C(=O)O1 1412656 QKYHUUAPGZVRCM-UHFFFAOYSA-N 280.345 2.994 10 40 CFCB S=C(NNc1ccccc1)Nc1ccc2nccnc2c1 408734635 APKUGPKLQKZXDE-UHFFFAOYSA-N 295.371 2.943 10 40 CFCB CC(C)c1cc(CNCc2ccc(N(C)C)cc2)n(C)n1 256050133 CVPZSUVBOICWOI-UHFFFAOYSA-N 286.423 2.899 10 40 CFCB COc1ccc(C(=O)C(=O)c2ccccc2OC)cc1 96316081 RGGLRNFCVSZJSY-UHFFFAOYSA-N 270.284 2.769 10 40 CFCB COc1cc(/C=C/C(=O)NCCCCN=[N+]=[N-])ccc1O 5759322 DQOJOCIGFJOISA-FNORWQNLSA-N 290.323 2.621 10 40 CFCB CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1416029 UWAJFPFIPIAGLR-WDZFZDKYSA-N 293.369 2.636 10 40 CFCB COc1ccc2ccc(O)c(CN3CCC[C@@H](O)C3)c2c1 7012047 FZUKLFWELVZTAO-CYBMUJFWSA-N 287.359 2.511 10 40 CFCB CN(C)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1 8134327 MEBXBQIBYAWBCE-UHFFFAOYSA-N 294.358 2.559 10 40 CFCB C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 84636780 ZIXKPJJMSPRQSE-CYBMUJFWSA-N 299.370 2.950 10 40 CFCB CCOc1cccc(NC(=S)NCc2ccccn2)c1 225329864 GIAHDOPTSSFZLX-UHFFFAOYSA-N 287.388 2.967 10 40 CFCB CCN1C(=O)/C(=C\c2cccc(C)c2)C(C(=O)OC)=C1C 573218 ASHFHQPLWKUBQD-UVTDQMKNSA-N 285.343 2.688 10 40 CFCB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(N)cc2)C1 71257556 LYKGTELGNPCUQI-CYBMUJFWSA-N 291.395 2.762 10 40 CFCB CN(Cc1ccccc1F)C(=S)NCc1ccco1 6335959 RDNPFVPTNQIPRP-UHFFFAOYSA-N 278.352 2.925 10 40 CFCB C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](C)n1cccn1 69418477 FBJQAANNVUPZEF-CHWSQXEVSA-N 271.364 2.557 10 40 CFCB Cc1cnn(CCNCc2ccc(N3CCCCC3)cc2)c1 69900870 GWLULIDOWPASOZ-UHFFFAOYSA-N 298.434 2.972 10 40 CFCB CCOC[C@@H](O)CSc1ncc(-c2ccccc2)n1C 193790661 HOXCUKQKDYNWAJ-CYBMUJFWSA-N 292.404 2.577 10 40 CFCB Cc1ccc(C(=S=O)c2ccc([N+](=O)[O-])cc2)cc1 339350 CSRGLCBATMCEPX-UHFFFAOYSA-N 273.313 2.685 10 40 CFCB Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 8720722 ORUSNXSWAAGJGA-UHFFFAOYSA-N 258.321 2.584 10 40 CFCB CCCN(c1ccc(OCC)cc1)[C@H](C)C(=O)O 260677576 IKLFZVMWLURZER-LLVKDONJSA-N 251.326 2.775 10 40 CFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CC1 100422750 PUSLXTOSAMVRKD-ZROIWOOFSA-N 273.311 2.574 10 40 CFCB Nc1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc1 100053550 PPVRMPPLECDING-PFONDFGASA-N 277.305 2.931 10 40 CFCB CN(C(=O)NCCCSc1nccs1)C1CCC1 89334767 WLGPMMZEWOUVTJ-UHFFFAOYSA-N 285.438 2.819 10 40 CFCB CC1=C[C@@H]2CC[C@H]1[C@]13O[C@]21C(=O)c1ccccc1C3=O 45070951 JGKPUBSSOANYGS-VYQVILLPSA-N 266.296 2.560 10 40 CFCB CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 1601138 OIZKXZFSDHBELP-YFHOEESVSA-N 294.357 2.816 10 40 CFCB CCOC(=O)[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 4140591 JCIUGLPPPINZFD-COPLHBTASA-N 288.303 2.612 10 40 CFCB COc1ccc(O)c(CNC(=O)CC2=CCCCC2)c1 71907897 PHLZSWVAKZEBRP-UHFFFAOYSA-N 275.348 2.908 10 40 CFCB COc1ccc(/N=N/c2nc[nH]c2[N+](=O)[O-])c(OC)c1 4476839 XCXAJWKQRGUUCQ-CCEZHUSRSA-N 277.240 2.751 10 40 CFCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc[nH]2)C1=O 17857803 CHOCQGLIHOQWMM-XFXZXTDPSA-N 295.298 2.830 10 40 CFCB CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(N)cc2)C1 36075390 SCQCXXWVNOKLOT-ZDUSSCGKSA-N 277.368 2.690 10 40 CFCB in-vitro CC1(C)OC(=O)C(=CNc2ccc3ccccc3c2)C(=O)O1 13627440 AJAPIFQDNRAUBY-UHFFFAOYSA-N 297.310 2.972 10 40 CFCB COc1ccc(Cl)c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 8473616 GFAATJGDWAOIDJ-UBJUHAIHSA-N 279.723 2.887 10 40 CFCB Cc1cc(N2CCCC2)c(C)cc1CN1CC[C@H](CO)C1 19567140 QSNMPFLRYLQLEJ-INIZCTEOSA-N 288.435 2.718 10 40 CFCB CN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S 33291514 SQITYVRNRUTLEY-LUAWRHEFSA-N 294.426 2.888 10 40 CFCB CCCNC(=O)NCc1ccc(N2CCCCC2)cc1 49371615 NKTNGZRFGNPLMB-UHFFFAOYSA-N 275.396 2.886 10 40 CFCB Cc1c(NCc2ccc(N(C)C)cc2)cnn1CCF 256050559 FNBYQBABTWSIMF-UHFFFAOYSA-N 276.359 2.839 10 40 CFCB CCO/C=C1/SC(=S)N(c2cccc(O)c2)C1=O 5807839 XSOJOURMWYLYHO-JXMROGBWSA-N 281.358 2.635 10 40 CFCB Cc1c([N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O 5955894 CYXGLGFQKSCUSV-UHFFFAOYSA-N 267.240 2.679 10 40 CFCB Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 3885453 PLGPRGMWHYWEFT-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB CNC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1 57503908 BIVAFZZGUJDHEE-UHFFFAOYSA-N 298.386 2.503 10 40 CFCB CCOC(=O)[C@H](/N=N/c1ccccc1)C(=O)c1ccncc1 104369711 VSGWFHRCBLPDBN-IWHJNQCMSA-N 297.314 2.980 10 40 CFCB CCc1ccccc1NC(=O)COc1ccc(N)cc1 31895847 USZALNWIJAMRIJ-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB Cc1ccc(NC(=O)COc2ccc(N)cc2)cc1C 31896085 ZELKTJSFAPCWMY-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB CCOC[C@H](O)CSc1ncc(-c2ccccc2)n1C 193790649 HOXCUKQKDYNWAJ-ZDUSSCGKSA-N 292.404 2.577 10 40 CFCB OC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1O 154778877 QQOSTGSGPORIGM-CQSZACIVSA-N 291.778 2.739 10 40 CFCB C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 24528576 XCFVTDQVGWUIRB-LLVKDONJSA-N 279.380 2.616 10 40 CFCB COCCN1C(=O)/C(=C/c2cccs2)SC1=S 2820065 OKLYVUSGXJYLPP-CLFYSBASSA-N 285.415 2.596 10 40 CFCB CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccn3)coc12 28224802 HWULASMLUJJBSU-UHFFFAOYSA-N 296.326 2.622 10 40 CFCB CCN(CC)CN1C(=O)C(=Cc2ccco2)SC1=S 2049236293 IYZQBWUNCLJLME-UHFFFAOYSA-N 296.417 2.780 10 40 CFCB O=C1N=C(O)/C(=C/c2ccco2)C(=O)N1c1ccccc1 9109556 NRTWAQJCJBUTAG-XFXZXTDPSA-N 282.255 2.786 10 40 CFCB C[C@@H](CCc1ccccc1)NCC(=O)c1ccc(O)c(O)c1 1621632 GEJJIDMFPAQQOR-ZDUSSCGKSA-N 299.370 2.891 10 40 CFCB CC1=C[C@H]2CC[C@@H]1[C@]13O[C@]21C(=O)c1ccccc1C3=O 45070949 JGKPUBSSOANYGS-NGDYIBGOSA-N 266.296 2.560 10 40 CFCB CN(C)c1ccc(CNCc2ccnn2C(F)F)cc1 256050985 HHEAFNMSLZVOCD-UHFFFAOYSA-N 280.322 2.634 10 40 CFCB Cc1ccc2c(c1)[C@@]1(NN=C(c3ccccc3)S1)C(=O)N2 94331 FREUDXYIZICEHS-INIZCTEOSA-N 295.367 2.798 10 40 CFCB O=C1NC(=S)S/C1=C\c1ccc(Br)o1 13581846 PYUFKSRXCLTIBG-HYXAFXHYSA-N 290.163 2.531 10 40 CFCB CC(C)N1C(=O)/C(=C/c2ccco2)SC1=S 1188463 GOZYUCREJOZBEZ-TWGQIWQCSA-N 253.348 2.889 10 40 CFCB O=C1c2ccccc2-c2nnc(-c3ccccn3)cc21 49435 RYKZFLNYPLAFIE-UHFFFAOYSA-N 259.268 2.750 10 40 CFCB [N-]=[N+]=NCC(=O)Nc1ccc(Br)cc1 102829110 WUHLSSSHFFVOEJ-UHFFFAOYSA-N 255.075 2.698 10 40 CFCB COc1cccc(CNc2ccc3c(c2)ncn3C)c1O 423349 VBLHIZDTCQTLLS-UHFFFAOYSA-N 283.331 2.900 10 40 CFCB CCOc1ccc(N2CCN[C@H]3CCCC[C@H]32)cc1 218833663 AMMQQQRSAJNFHC-JKSUJKDBSA-N 260.381 2.806 10 40 CFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)ccc2C)c1 125827 IEPOURHPSUPAOX-UHFFFAOYSA-N 287.315 2.667 10 40 CFCB CN(C)c1ccc(Cc2ccc(N(C)C)cc2N)c(N)c1 1687267 ZSRUAYJFVHCYFE-UHFFFAOYSA-N 284.407 2.574 10 40 CFCB CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 23652928 AGUVDYBMENUOGR-UHFFFAOYSA-N 272.308 2.668 10 40 CFCB COCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 19736764 OWDSTPBCXMBKTE-UHFFFAOYSA-N 286.331 2.546 10 40 CFCB CCCN(c1ccc(OCC)cc1)[C@@H](C)C(=O)O 224999057 IKLFZVMWLURZER-NSHDSACASA-N 251.326 2.775 10 40 CFCB CCOC(=O)[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]12 12404111 SUGWMTABQUGZKF-NURSFMCSSA-N 288.303 2.612 10 40 CFCB CCOc1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2C)c1 8705975 MDOIGVFOKIHEAV-MRXNPFEDSA-N 298.342 2.669 10 40 CFCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccco1 408941634 XLRVSNKKGZYWIX-GXDHUFHOSA-N 280.283 2.722 10 40 CFCB COc1ccc(-n2c(C)cc(C(=O)O)c2C)c(OC)c1 19398015 WSKPDHPXWODPNW-UHFFFAOYSA-N 275.304 2.810 10 40 CFCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCC3)cc2)C1=O 409232693 OVOUQWABJQTCIA-NTCAYCPXSA-N 299.374 2.590 10 40 CFCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1F 16450378 NGHXFYNKFPKTTF-UHFFFAOYSA-N 290.294 2.601 10 40 CFCB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc3c(c2)CCO3)c1 69458734 TYHHQEFLQBMPCE-KBPBESRZSA-N 285.391 2.866 10 40 CFCB COc1cccc2c1C(=O)c1c(OC)cc(C)cc1C2=O 4716483 LODCICIWBUFMMY-UHFFFAOYSA-N 282.295 2.788 10 40 CFCB biogenic c1cc2c(cc1CNCc1ccc3c(c1)OCO3)CCO2 37362771 FHDXBEACWRHZLL-UHFFFAOYSA-N 283.327 2.640 10 40 CFCB CCO/C=C1/SC(=S)N(CCc2ccccc2)C1=O 2799102 NOPWLPLYQGXTLE-ZRDIBKRKSA-N 293.413 2.967 10 40 CFCB C=CC(=O)N(CC)Cc1cc(Br)ccc1O 521394074 LHOAXBJHLFMMJM-UHFFFAOYSA-N 284.153 2.689 10 40 CFCB COC(=O)c1cccc(NCc2ccccc2O)c1 37307908 QLDROXVPSVDDFO-UHFFFAOYSA-N 257.289 2.791 10 40 CFCB Cc1cccc2c1N[C@@H](c1ccc(N(C)C)cc1)NC2=O 28923465 CMJONXJPQWDEKK-MRXNPFEDSA-N 281.359 2.915 10 40 CFCB COc1cccc(-c2noc(Cc3ccc(N)cc3)n2)c1 19771979 RKCZRZPSSVUSPX-UHFFFAOYSA-N 281.315 2.918 10 40 CFCB Oc1cc2c(cc1O)[C@H](c1ccc(Cl)cc1)NCC2 3727805 NMJWRWIAZGYCTJ-HNNXBMFYSA-N 275.735 2.986 10 40 CFCB O=C(O)c1ccc(Cl)c2c1C(=O)c1ccccc1C2=O 4783163 FYWSSURIEUGTQF-UHFFFAOYSA-N 286.670 2.814 10 40 CFCB CCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 13331709 YBNMDEOWDSTYJM-UHFFFAOYSA-N 276.380 2.534 10 40 CFCB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)CN=[N+]=[N-] 72207871 XKIWOFSXLRYPKZ-JOYOIKCWSA-N 272.349 2.597 10 40 CFCB CC[C@H](C)N/C=C1\C(=O)N(c2ccccc2)N=C1C 109030 MQGYNDXHDIXZLI-HKLRHMNMSA-N 257.337 2.681 10 40 CFCB CC[C@@H](NCc1c(C)nn(C)c1OC)c1ccccc1O 158124912 MHATWDOWTKFQLF-CQSZACIVSA-N 289.379 2.684 10 40 CFCB Cc1cc2c(c(N)c1C)C(=O)c1ccccc1C2=O 4016080 QNLBFFTVWDTZNQ-UHFFFAOYSA-N 251.285 2.661 10 40 CFCB Cc1n[nH]c(C)c1CNCc1ccc(N2CCCC2)cc1 97159313 ZGNGMRYZRQXMRI-UHFFFAOYSA-N 284.407 2.917 10 40 CFCB Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1 20256174 BPUASWFKPAYYIK-UHFFFAOYSA-N 269.347 2.563 10 40 CFCB NCc1ccc(N2CCN(Cc3cccs3)CC2)cc1 20266047 QHQVAJMPMODGEB-UHFFFAOYSA-N 287.432 2.529 10 40 CFCB CCc1ccc(NC(=O)COc2ccc(N)cc2)cc1 31895784 YYGYEOLCRZQBAR-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB C[C@H]1C=CC[C@H]2C(=O)c3cccc([N+](=O)[O-])c3C(=O)[C@H]12 5664909 IHKNRAXIHBVWCX-YGOYTEALSA-N 271.272 2.802 10 40 CFCB Cc1cc(NS(=O)(=O)c2ccccc2)ccc1O 268508 ZPBPRHWPAQKPHA-UHFFFAOYSA-N 263.318 2.501 10 40 CFCB C[C@@H]1C=CC[C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C(=O)[C@@H]21 104214584 IHKNRAXIHBVWCX-VDDIYKPWSA-N 271.272 2.802 10 40 CFCB COCCCN1C(=O)/C(=C\c2ccc(C)o2)SC1=S 14197687 JZLLVGWHJOTGRB-DHZHZOJOSA-N 297.401 2.826 10 40 CFCB Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCO1 19963760 VTRCPQDFPBFTBM-JTQLQIEISA-N 276.163 2.968 10 40 CFCB Oc1ccccc1C1=NN[C@@H](c2ccccc2O)S1 408723199 PGLBAXNNYIZILZ-CYBMUJFWSA-N 272.329 2.795 10 40 CFCB CCN(CC)c1cc(Nc2ccc(N)cc2)nc(C)n1 206579680 CCJZLCDWWCTSJP-UHFFFAOYSA-N 271.368 2.957 10 40 CFCB Nc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 19281634 ZSDSJFIONBUCCD-UHFFFAOYSA-N 276.723 2.940 10 40 CFCB CON(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 25714879 MAQRHALDAPBNEV-UHFFFAOYSA-N 258.321 2.728 10 40 CFCB CCOc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 6870601 GRFQAIBGNQTAEC-PUYPPJJSSA-N 259.305 2.624 10 40 CFCB Cc1nnc(NCCCSc2nccs2)s1 96483211 AMPVFBBSPKOFMK-UHFFFAOYSA-N 272.424 2.897 10 40 CFCB CC(C)(C)c1cnc(SCCOCCO)s1 95413937 CRHNCOHLQCUVOB-UHFFFAOYSA-N 261.412 2.542 10 40 CFCB CN(C)C(=O)[C@H]1CCCN1Cc1c(O)ccc2ccccc12 83843977 QXKJICSVMCESGK-MRXNPFEDSA-N 298.386 2.598 10 40 CFCB Oc1nc(S)nc(O)c1/N=N/c1ccccc1F 13395332 KNVXCGCHFBXVBM-CCEZHUSRSA-N 266.257 2.731 10 40 CFCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 13548775 BSGXFHUOCKQPHZ-YRNVUSSQSA-N 295.385 2.535 10 40 CFCB Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O 22910125 MXQKCNCLQIHHJA-UHFFFAOYSA-N 283.283 2.648 10 40 CFCB in-man CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)CN=[N+]=[N-] 72207873 XKIWOFSXLRYPKZ-CABZTGNLSA-N 272.349 2.597 10 40 CFCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1C 9310646 PVTFLNASMGJPBX-YRNVUSSQSA-N 279.386 2.835 10 40 CFCB CCN(CC)Cc1c(O)ccc2c(=O)c(Cl)coc12 41510815 GAEQCIQTJOQFJW-UHFFFAOYSA-N 281.739 2.994 10 40 CFCB CC(C)(C)CNCc1ccc(N2CCC(O)CC2)c(F)c1 96403666 IODWITYROHTKJT-UHFFFAOYSA-N 294.414 2.923 10 40 CFCB CN(C)/N=N/c1ccccc1I 17003072 VNMWUXQJDRUOFI-ZHACJKMWSA-N 275.093 2.852 10 40 CFCB O=C(/C=C/c1cccnc1)N1CCSc2ncccc21 96425396 IEXHGLQELMMEMJ-AATRIKPKSA-N 283.356 2.629 10 40 CFCB CCO/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1606267 DTVWTTUWEBMFOD-LUAWRHEFSA-N 279.386 2.925 10 40 CFCB O=C(O)/C=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 36532758 BPABUEYGYPZKMX-ALCCZGGFSA-N 276.292 2.683 10 40 CFCB C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)NC2=O)o1 8117282 MLGAUACWGHSKQL-FQSHVDOQSA-N 265.359 2.892 10 40 CFCB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)NC3=O)cc21 208202291 UIJBCMZVULIORU-XNFYSYIQSA-N 299.374 2.589 10 40 CFCB COC(=O)CN1c2ccc(OC)cc2[C@@H](C)CC1(C)C 223828278 XWJHBHQGLDCAQO-NSHDSACASA-N 277.364 2.960 10 40 CFCB CC1(C)OC(=O)C(=Cc2cccc(Cl)c2)C(=O)O1 1624804 ILXUXOYNLXQPTI-UHFFFAOYSA-N 266.680 2.560 10 40 CFCB Cc1occc1C(=O)NCc1ccc2c(c1)CCCN2C 58323734 LILDKFDLPSCUOJ-UHFFFAOYSA-N 284.359 2.900 10 40 CFCB CC(/C=C1/C(=O)NN(c2ccccc2)C1=O)=C\c1ccco1 33722831 IERIRDOEXXXMAV-NJFTWXLASA-N 294.310 2.687 10 40 CFCB COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 8170728 QOGBUAXEJZAPOA-UHFFFAOYSA-N 284.359 2.691 10 40 CFCB Cc1c(Cl)cccc1NC(=O)NC(=O)CN=[N+]=[N-] 101353333 LVLNZQBOHUQNJA-UHFFFAOYSA-N 267.676 2.607 10 40 CFCB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N)cc1 19736431 JPLKKTYLOSTZQY-NSHDSACASA-N 286.331 2.683 10 40 CFCB Cc1cc(N2CCCC2)nc(Nc2ccc(N)cc2)n1 217504695 CMICVFZNJMVXSK-UHFFFAOYSA-N 269.352 2.711 10 40 CFCB COc1cc(N)c(N2CCCC2)c(Br)c1 45886241 JMGPNORSXBWMCH-UHFFFAOYSA-N 271.158 2.640 10 40 CFCB COc1cc(/C=C/c2ccc(N(C)C)cc2)oc(=O)c1 1563702 KOKHVJWUVSEDCP-RMKNXTFCSA-N 271.316 2.885 10 40 CFCB COc1ccc(N2COc3cc4c(cc3C2)OCO4)cc1 427614 TYWRPOPSDTUKAR-UHFFFAOYSA-N 285.299 2.780 10 40 CFCB Cc1cc(C)cc(NC(=O)COc2ccc(N)cc2)c1 31896038 QFLSHZLBADRUMQ-UHFFFAOYSA-N 270.332 2.903 10 40 CFCB Cc1cc(O)c([C@H](NN)c2ccccc2)cc1Cl 199534434 GCRCJXCOKKOYPD-CQSZACIVSA-N 262.740 2.907 10 40 CFCB Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccccn1 32827500 PQKXPIVHSWJCCP-UHFFFAOYSA-N 257.337 2.627 10 40 CFCB CCCN(CCC)/N=N/c1c(C(=O)OC)n[nH]c1C 18189272 WAZQYJPTLFCVMM-FOCLMDBBSA-N 267.333 2.625 10 40 CFCB CCOC(=O)[C@@H](/N=N/c1ccccc1)C(=O)c1ccncc1 104369719 VSGWFHRCBLPDBN-HLAUDOPJSA-N 297.314 2.980 10 40 CFCB O=c1cc(-c2cccc(O)c2)oc2cc(O)c(O)cc12 57757 YLQLFNHURAYJDR-UHFFFAOYSA-N 270.240 2.577 10 40 CFCB biogenic,in-vitro O=C(OCc1ccccc1)N1CCc2cc(O)c(O)cc21 34537699 IOKWTWPEEJJYFC-UHFFFAOYSA-N 285.299 2.797 10 40 CFCB CN(C)c1ccc(/C=C/C=C2/SC(=O)NC2=O)cc1 3044238 DWEIFYSAMGRMQR-ZDHPXMGNSA-N 274.345 2.633 10 40 CFCB COc1ccc(-c2nnc(COc3ccc(N)cc3)o2)cc1 32917157 QWTUFCIJIBUTGW-UHFFFAOYSA-N 297.314 2.906 10 40 CFCB Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H]2CCOC2=O)cc1 4541570 MQAASOWWODDGQG-OAHLLOKOSA-N 299.326 2.566 10 40 CFCB O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1 89873123 VYTYXHRCFKSGIT-UHFFFAOYSA-N 294.310 2.576 10 40 CFCB CN1CCCc2cc(CNC(=O)CC(F)(F)F)ccc21 58769306 WSLVIUMOBGWBGO-UHFFFAOYSA-N 286.297 2.638 10 40 CFCB CCc1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 19736274 PVCYQELWPPMFQW-UHFFFAOYSA-N 270.332 2.849 10 40 CFCB C/C(=C1/SC(S)=NC1=O)c1ccccc1O 5411662 YPTTWPLUDZVSKQ-TWGQIWQCSA-N 251.332 2.682 10 40 CFCB COc1ccc(CN[C@H](C)c2nnc3ccccn23)cc1C 24828940 RKJBZNFDJCBCBJ-CYBMUJFWSA-N 296.374 2.897 10 40 CFCB Nc1ccc(COCCOCc2ccc(N)cc2)cc1 1598886 YHAZVMSLVUQFGF-UHFFFAOYSA-N 272.348 2.584 10 40 CFCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(F)cc1 58865777 GWFLTYRCSYLFDF-UHFFFAOYSA-N 290.290 2.970 10 40 CFCB c1nc(NCc2ccc(N3CCCC3)cc2)c2cn[nH]c2n1 48325407 OBVGNMIIIYBESI-UHFFFAOYSA-N 294.362 2.565 10 40 CFCB CCOC(=O)c1sc2nc(C)c(C)cc2c1N 200921671 FINVNEFXKSKTEN-UHFFFAOYSA-N 250.323 2.672 10 40 CFCB O=C(O)c1cn(-c2c3ccccc3nc3ccccc23)nn1 218797758 QWGFPKHXXRTHPI-UHFFFAOYSA-N 290.282 2.667 10 40 CFCB COCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 224006047 VQMOYHJRDDBSAH-KGLIPLIRSA-N 290.407 2.747 10 40 CFCB COc1ccc(Cl)c2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 58850839 GFAATJGDWAOIDJ-RGNHYFCHSA-N 279.723 2.887 10 40 CFCB CC(C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)SC1=S 2697671 OVLKACDWJNGFOC-YVMONPNESA-N 298.345 2.797 10 40 CFCB C[C@H]1CN(C2=NC(=O)C(=C3CCCCC3)S2)C[C@H](C)O1 93160 PWIFQIZXXNHEHG-QWRGUYRKSA-N 294.420 2.943 10 40 CFCB CC(C)Cn1ccc(CNCc2ccc(N(C)C)cc2)n1 256054947 YLQCDBSSZPGAMX-UHFFFAOYSA-N 286.423 2.895 10 40 CFCB COc1ccc(Cl)c2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 20242694 GFAATJGDWAOIDJ-RWYTXXIDSA-N 279.723 2.887 10 40 CFCB CCOC(=O)c1cccc(-n2c(C)cc(CO)c2C)c1 8701676 BNDDPPNZWVWCPV-UHFFFAOYSA-N 273.332 2.763 10 40 CFCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(C(C)C)cc1 323884 YFVOXVSZQCNONW-ZROIWOOFSA-N 285.343 2.770 10 40 CFCB COc1cc(CN2CCOCC2)c(O)c(C(C)(C)C)c1 89694654 ROGBETYLHWQGTR-UHFFFAOYSA-N 279.380 2.531 10 40 CFCB COCCNCc1cc(C)n(-c2ccccc2F)c1C 223669380 ARKZTVMHKQBFDN-UHFFFAOYSA-N 276.355 2.969 10 40 CFCB C[C@H]1C[C@@H]2c3cccc4c3c(cn4CO)C[C@@H]2N(C)C1 6268336 ZRSYFDQOVJPDJB-PEYYIBSZSA-N 270.376 2.571 10 40 CFCB CCCN1C(=O)N/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409242536 OHKPBUWXRXXPEC-NTEUORMPSA-N 283.331 2.779 10 40 CFCB COc1ccc(O)c([C@H](C)NC(=O)C2=CCCC2)c1 96485658 SGVVXKLUMWROOU-JTQLQIEISA-N 261.321 2.688 10 40 CFCB [N-]=[N+]=NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 1889006680 OMXYJYBFTSNPPT-QMMMGPOBSA-N 266.251 2.624 10 40 CFCB CC(C)Cc1ccc2c(N)c(C(=O)O)sc2n1 27527583 CZQKVWVHONXLGD-UHFFFAOYSA-N 250.323 2.775 10 40 CFCB COc1ccc(-n2c(C)cc(CO)c2C)c(OC)c1 32111826 GBGZLJQZUXORNR-UHFFFAOYSA-N 261.321 2.604 10 40 CFCB CC1=NNC(=O)/C1=C/Nc1ccc(C(F)(F)F)cc1 100151363 HHNFWBFRNOSYQG-UXBLZVDNSA-N 269.226 2.507 10 40 CFCB O=C(O)[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 35534068 SIPMQZFVMNEOFU-OKTBNZSVSA-N 294.694 2.787 10 40 CFCB COC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C 223709778 PZEZIKODSHQOBU-UHFFFAOYSA-N 259.305 2.889 10 40 CFCB Oc1ccc(/N=N/c2nc(C(F)(F)F)n[nH]2)cc1 18067736 RBNKFODPVNTZFV-JQIJEIRASA-N 257.175 2.945 10 40 CFCB CC(C)C1=NN2C(=N)/C(=C/c3ccco3)C(=O)N=C2S1 33821610 MVSWHMXBIVRYNK-OAOWJTDASA-N 288.332 2.555 10 40 CFCB CC(=O)c1ccc2c(c1O)CN(Cc1ccccc1)CO2 19793108 TWKMSJPCILKSKK-UHFFFAOYSA-N 283.327 2.947 10 40 CFCB C[C@@H]1CCCN(c2ccc(CNC(=O)C3CC3)cc2)C1 225385220 OMGZNXDUMDKLGS-CYBMUJFWSA-N 272.392 2.949 10 40 CFCB CCN1C(=O)c2ccccc2N[C@H]1c1cccc(OC)c1O 30542556 SYQABSFLSJSBFD-MRXNPFEDSA-N 298.342 2.987 10 40 CFCB COc1ccc(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 45886291 VODKRPNHVFAEMY-SNVBAGLBSA-N 250.298 2.982 10 40 CFCB COc1ccccc1NC[C@@H](O)COc1ccccc1 3194940 PEHGANIRNYYRMW-CYBMUJFWSA-N 273.332 2.547 10 40 CFCB O=C1COc2ccc(N3Cc4ccccc4C3)cc2N1 4049842 HNENGVUFQSTIIV-UHFFFAOYSA-N 266.300 2.538 10 40 CFCB NN[C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1O 199534131 LFVXNHKWGPVQJW-ZDUSSCGKSA-N 266.703 2.737 10 40 CFCB CN(C)c1ccccc1NCc1cc([N+](=O)[O-])ccc1O 95448699 XFAGPVQMESMHMO-UHFFFAOYSA-N 287.319 2.979 10 40 CFCB O=C1/C(=C/c2ccccc2O)SC(=S)N1C1CC1 16923499 HHRAYWOPISCVDU-XFFZJAGNSA-N 277.370 2.756 10 40 CFCB Cc1noc(C)c1/N=N/c1ccc2nonc2c1N 17248987 SSIUUOSFZVPBAE-BUHFOSPRSA-N 258.241 2.825 10 40 CFCB CCN(CC)c1ccc(/C=C2\SC(=N)NC2=O)cc1 18082613 MMEQBAAOGVIZST-XFXZXTDPSA-N 275.377 2.671 10 40 CFCB C[C@@H](c1cc(C(C)(C)C)ccc1O)N1CCNCC1 22014393 OGDLMQYRKKMBJF-LBPRGKRZSA-N 262.397 2.656 10 40 CFCB COc1cc(C=O)cc(CN2CCCCCC2)c1O 216831461 ALKXPWIUGMRZHP-UHFFFAOYSA-N 263.337 2.589 10 40 CFCB Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O 3896784 QQOBTPNGSQEDAS-UHFFFAOYSA-N 257.676 2.698 10 40 CFCB Oc1ccc(OCc2ccccc2)cc1CN1CCOCC1 31961998 ISVXNHIOWVMNSM-UHFFFAOYSA-N 299.370 2.803 10 40 CFCB Cc1cc(CNC(=O)Nc2ccccn2)ccc1N(C)C 76091926 ZIDXBFYAJUFQHW-UHFFFAOYSA-N 284.363 2.778 10 40 CFCB Nc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1 20186738 HTMCXVYAQGHDMT-UHFFFAOYSA-N 258.296 2.979 10 40 CFCB CCN1C(=O)/C(=C\Nc2cccc(O)c2)SC1=S 13590442 NZKSVIOFJZCHFM-JXMROGBWSA-N 280.374 2.526 10 40 CFCB O=C1OC2(CCCC2)OC(=O)C1=C/C=C/c1ccccc1 408768017 HPOKLLWDKIXNQO-RMKNXTFCSA-N 284.311 2.997 10 40 CFCB CN(C)/N=N/c1ccccc1C(=O)NCC(F)(F)F 18068678 ZAKDJZOCQSWSQC-WUKNDPDISA-N 274.246 2.539 10 40 CFCB CSc1ccccc1N1C(=O)CSC1=S 1045134 PZNWUAXWKUSVAZ-UHFFFAOYSA-N 255.389 2.773 10 40 CFCB O=C1CSC(=S)N1Cc1ccccc1Cl 1664690 HHFTUWAYDHNTGB-UHFFFAOYSA-N 257.767 2.700 10 40 CFCB CN(C)/N=N/c1ccc(S(=O)(=O)O)c2ccccc12 1856874 FJKACDZLDUVXHG-BUHFOSPRSA-N 279.321 2.647 10 40 CFCB O=C1/C(=C/c2ccco2)SC(=S)N1C[C@H]1CCCO1 1450947 ZZNXBKIYVRFNAN-PAKSIRSJSA-N 295.385 2.660 10 40 CFCB CC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 20185808 TUVUSSHURVEZTD-UHFFFAOYSA-N 268.316 2.653 10 40 CFCB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)cc1 19736418 IKQMETUENBGCCY-NSHDSACASA-N 286.331 2.683 10 40 CFCB Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1 13660158 SXPZFHCIUAADLD-UHFFFAOYSA-N 262.261 2.918 10 40 CFCB biogenic,in-vitro CCOC(=O)c1sc2nc(C)cc(COC)c2c1N 60625 IHGUDXGXQBPTRQ-UHFFFAOYSA-N 280.349 2.510 10 40 CFCB COC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1O 12505772 WQMCYXKYMTWFAO-UHFFFAOYSA-N 280.349 2.789 10 40 CFCB COc1ccc2cc3c(N)c(C(=O)O)sc3nc2c1 19735278 PUIPQJNSZCRUCB-UHFFFAOYSA-N 274.301 2.739 10 40 CFCB CCOc1ccccc1C(=O)Nc1ccc(N)cc1 19736498 KVJLPRBDVIVBEL-UHFFFAOYSA-N 256.305 2.920 10 40 CFCB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N=[N+]=[N-])CO2 91690311 UDHNULJFEZNBKB-SNVBAGLBSA-N 282.344 2.855 10 40 CFCB O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccco1 101225433 XQQSJLHJMQHFOJ-UHFFFAOYSA-N 297.358 2.655 10 40 CFCB Cc1c(OCc2ccccc2)ccc([C@@H](C)NN)c1O 199536683 KATOWSZJBACDPO-GFCCVEGCSA-N 272.348 2.804 10 40 CFCB Oc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2 4724964 GGGSEBXTKMTNBW-CQSZACIVSA-N 255.317 2.527 10 40 CFCB