smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c(C(=O)N2CCn3nc([C@H](O)CO)cc3C2)sc2nc[nH]c(=O)c12 217728571 GKVBCQNLYLTSOS-LLVKDONJSA-N 375.410 0.171 70 50 GCIA CC(=O)N1CC(Nc2cccc(NC(=O)[C@@H]3CCS(=O)(=O)C3)c2)=CC1=O 218604146 ODZHGVSKGSLNLP-GFCCVEGCSA-N 377.422 0.744 70 50 GCIA CCc1cc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)cc(=O)[nH]1 218733111 QPDVVTAELATRAF-SFHVURJKSA-N 382.424 0.605 70 50 GCIA CCNc1ncc(CN2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cn1 218306510 JQRDMSYXVPYWSN-HNNXBMFYSA-N 380.474 0.199 70 50 GCIA O=C(c1cnc2sccn2c1=O)N1CCCn2nc([C@H](O)CO)cc2C1 217414252 UGNGDIHWPNQWFP-CYBMUJFWSA-N 375.410 0.024 70 50 GCIA Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218227138 SDKQYFQWECWOLS-PXAZEXFGSA-N 395.485 0.366 70 50 GCIA CN1CCCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](CN)C3)c2)CC1 217701773 QKWOLWSUPBFUPF-HNNXBMFYSA-N 380.514 0.434 70 50 GCIA CN1CCN(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)CC1 218389786 CRLWSUQBGRDJIA-RTBURBONSA-N 377.485 0.469 70 50 GCIA COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2ccnc2C)C1=O 218344796 WMVIARNCIKKFFG-INIZCTEOSA-N 399.451 0.870 70 50 GCIA CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2coc3ccccc3c2=O)[C@H]2CCO[C@H]21 218193391 SHIXQBFQPIIXSZ-FDKDBAQKSA-N 378.406 0.228 70 50 GCIA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)CCO3)C2 218124441 DORDVCGYANTREI-QGZVFWFLSA-N 377.466 0.912 70 50 GCIA Cc1cc2c(=O)[nH]c(CN3CCCn4nc([C@H](O)CO)cc4C3)nc2s1 217479702 JAZWRLQQRITJSL-CQSZACIVSA-N 375.454 0.921 70 50 GCIA COc1ccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c(OC)n1 217357091 BLNZVBXGPYLTAE-UHFFFAOYSA-N 378.429 0.745 70 50 GCIA CNC[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 161291667 RFTGVZPLNUOHGA-WMLDXEAASA-N 385.468 0.334 70 50 GCIA NC(=O)c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCN2CCCC2=O)cc1 218348712 PNPBFNGYISEFLD-HZPDHXFCSA-N 375.425 0.451 70 50 GCIA COC(=O)[C@H](CCSC)NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 217816660 OUWIISNUKFREFG-KBPBESRZSA-N 393.465 0.928 70 50 GCIA biogenic COCCn1c(C)cc(C)c(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)c1=O 218542659 OXSPEYAADCCLRB-UHFFFAOYSA-N 399.513 0.608 70 50 GCIA CNC(=O)c1ccc(/C=C/C(=O)N2C[C@H](S(=O)(=O)F)C[C@H]2C(=O)OC)cc1 2325887695 YBZHTWONWYCAJD-AMVTZNPPSA-N 398.412 0.501 70 50 GCIA CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O 217853789 FTUZFWJULHHCBU-GJZGRUSLSA-N 379.482 0.770 70 50 GCIA biogenic COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3ccnc3C)C2=O)cc1 218500402 YALQVBROGAQVKB-KRWDZBQOSA-N 399.451 0.870 70 50 GCIA O=C(c1cnc(CN2CCCC2)s1)N1CCn2nc([C@@H](O)CO)cc2C1 217863357 IJNZETZUUJDRNL-AWEZNQCLSA-N 377.470 0.617 70 50 GCIA CNC(=O)c1ccc(/C=C/C(=O)N2C[C@H](S(=O)(=O)F)C[C@@H]2C(=O)OC)cc1 2325887697 YBZHTWONWYCAJD-QLNSKBQOSA-N 398.412 0.501 70 50 GCIA COc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OCC(N)=O 217609769 MYCVOFDAAZBTAP-LLVKDONJSA-N 376.365 0.534 70 50 GCIA biogenic CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(C1CSCCSC1)C2 218576790 FGJCITRCRSUWGF-CQSZACIVSA-N 377.557 0.625 70 50 GCIA CNC(=O)c1ccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cc1 218264136 TXGWPKCKMWLFDS-LDZOIKDWSA-N 378.454 0.570 70 50 GCIA CN(C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CCC(N)CC1 161472456 LYLNZKJLZUYTEC-JTTJXQCZSA-N 399.495 0.852 70 50 GCIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2ccccc2[nH]c1=O 218162885 OURPVEXPIFCHCT-LLVKDONJSA-N 384.392 0.657 70 50 GCIA CS(=O)(=O)N1CCN(Cc2oc(CN3CCCCCC3)cc(=O)c2O)CC1 218297416 QYRYFVYGZPPWHG-UHFFFAOYSA-N 399.513 0.799 70 50 GCIA CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007513 IQCXMWPTZXYXJZ-ZWNOBZJWSA-N 399.487 0.979 70 50 GCIA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 218130019 OECIDVCCTYPZEG-BETUJISGSA-N 385.428 0.444 70 50 GCIA Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1[C@@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218227294 SDKQYFQWECWOLS-SJKOYZFVSA-N 395.485 0.366 70 50 GCIA COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3cccn3)C2=O)cc1 218490828 OVPGWHZGUQUQFG-INIZCTEOSA-N 385.424 0.909 70 50 GCIA CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](COC)c2ccnn2C)cc1 218394407 MLKVMZAHDAOQDT-HNNXBMFYSA-N 380.470 0.765 70 50 GCIA COc1ccc(C(=O)N2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)cn1 218593335 JFDKFYWHXDSOEO-AWEZNQCLSA-N 380.426 0.021 70 50 GCIA O=c1cc(CN2CCOCC2)oc(CN2CCN(CC(F)(F)F)CC2)c1O 218560631 OZBOQORUZXBCAD-UHFFFAOYSA-N 391.390 0.858 70 50 GCIA C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)C2 217008053 PGRMXTJOOVWLLO-SNVBAGLBSA-N 378.410 0.472 70 50 GCIA Cn1nc2cccc(S(=O)(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)c2n1 218755212 PEIBPRBLPJPZCZ-ZIAGYGMSSA-N 389.437 0.878 70 50 GCIA CC(=O)N1CCN(Cc2ccccc2Cn2cccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 216910914 QMXSVXFPAILKNA-MOPGFXCFSA-N 388.493 0.761 70 50 GCIA CC(C)(CNS(C)(=O)=O)NC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875388268 TXTPIXKVDWKLKY-UHFFFAOYSA-N 383.423 0.729 70 50 GCIA CCN(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 216898038 LMGZVFPATSEDAN-GOSISDBHSA-N 393.576 0.415 70 50 GCIA C[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)C2 217008065 PGRMXTJOOVWLLO-JTQLQIEISA-N 378.410 0.472 70 50 GCIA Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218227210 SDKQYFQWECWOLS-YVEFUNNKSA-N 395.485 0.366 70 50 GCIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc2ccccc2[nH]c1=O 218162974 OURPVEXPIFCHCT-NSHDSACASA-N 384.392 0.657 70 50 GCIA Cc1ccc(S(=O)(=O)N2CC(N3CCCn4nc(CO)cc4C3)C2)cc1 217575923 YBFAKIYKIMYUQZ-UHFFFAOYSA-N 376.482 0.963 70 50 GCIA O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218088878 HRCGMACGBVMSHH-WOOZHMMNSA-N 380.404 0.782 70 50 GCIA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3cccn3)C2=O)cc1 218137235 MSHAXNLNOHOGDL-INIZCTEOSA-N 385.424 0.561 70 50 GCIA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1 218274957 IXNZJKCMGBUZGN-GFCCVEGCSA-N 375.454 0.872 70 50 GCIA CS(=O)(=O)C[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3nonc13)C2 218534561 WDMAHABFNSIFQD-OAHLLOKOSA-N 377.426 0.513 70 50 GCIA CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)CN1CCc2ccccc2C1 218311283 QIVMCNMREYVNJG-QZTJIDSGSA-N 375.469 0.423 70 50 GCIA CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 217538909 MILZAEAGSWHPKA-QGZVFWFLSA-N 380.510 0.970 70 50 GCIA CC(=O)N1CC(Nc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)=CC1=O 218504666 HYHVZKMIIYTNKZ-CQSZACIVSA-N 377.422 0.288 70 50 GCIA COc1c2c(c(S(=O)(=O)NC[C@@H]3CCCO3)c3c1C(=O)N(C)CC3)OCO2 218107629 UPLOBDZBKZTCLG-JTQLQIEISA-N 398.437 0.509 70 50 GCIA biogenic O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2ccncc2)no1 217655638 AZNNQYLQYUOCIS-AWEZNQCLSA-N 392.375 0.889 70 50 GCIA biogenic Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)cc1 96022767 UJHKJTBZDLDNIP-UHFFFAOYSA-N 391.439 0.584 70 50 GCIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N1CCN(S(C)(=O)=O)CC1 218465624 HUPBPGGUTGIKBK-OAHLLOKOSA-N 397.497 0.362 70 50 GCIA Cc1cc2c(=O)[nH]c(CN3CCCn4nc([C@@H](O)CO)cc4C3)nc2s1 217479621 JAZWRLQQRITJSL-AWEZNQCLSA-N 375.454 0.921 70 50 GCIA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2nc3ccccc3o2)CC1 216994279 CHAFZFVVKMRLET-INIZCTEOSA-N 382.424 0.947 70 50 GCIA Cc1nccn1CCC(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 217162332 XWLVBGJSGSTSRF-UHFFFAOYSA-N 383.518 0.847 70 50 GCIA CN(CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 217538988 MILZAEAGSWHPKA-KRWDZBQOSA-N 380.510 0.970 70 50 GCIA O=C(CCS(=O)(=O)c1ccccc1)N1CCn2nc([C@@H](O)CO)cc2C1 217664150 IVTRXWBNGOPURP-INIZCTEOSA-N 379.438 0.115 70 50 GCIA CCNc1ncc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cn1 218306556 JQRDMSYXVPYWSN-OAHLLOKOSA-N 380.474 0.199 70 50 GCIA CCOC(=O)N1CCC(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 217735807 LZGQJMWSFNJUQF-HNNXBMFYSA-N 388.424 0.864 70 50 GCIA biogenic COc1c2c(c(S(=O)(=O)N3CCOCC3)c3c1C(=O)N(C)CC3)OCO2 217995925 WPTQZQTXHMMFBE-UHFFFAOYSA-N 384.410 0.073 70 50 GCIA biogenic COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1 218512005 YPWIBQMXYILBBY-FZMZJTMJSA-N 395.437 0.204 70 50 GCIA COc1ccc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1OCC(N)=O 217609687 MYCVOFDAAZBTAP-NSHDSACASA-N 376.365 0.534 70 50 GCIA biogenic Cc1nc2c(c(=O)[nH]1)CCN(C(=O)CCn1cnc3ccccc3c1=O)CC2 217148638 RIWGXYGZVDSCAL-UHFFFAOYSA-N 379.420 0.806 70 50 GCIA CNC(=O)c1ccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)cc1 218264214 TXGWPKCKMWLFDS-PXCJXSSVSA-N 378.454 0.570 70 50 GCIA CNC(=O)c1cccc(S(=O)(=O)N2CCCn3nc([C@H](C)O)cc3C2)c1 217548550 CULSLBKBSVJOLE-LBPRGKRZSA-N 378.454 0.891 70 50 GCIA Nc1nc(Cl)cc(NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 848945301 LMOZTSLXSLRNQA-UHFFFAOYSA-N 381.798 0.676 70 50 GCIA O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2ccccn2)CC1 218315925 MCCGMPQHIZAUSR-HNNXBMFYSA-N 383.408 0.834 70 50 GCIA CC(C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 217844157 KYWVMFHEQQDBFV-QWHCGFSZSA-N 377.397 0.359 70 50 GCIA biogenic O=C(Cc1c[nH]c(=O)[nH]c1=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218088802 HRCGMACGBVMSHH-GUUHALQZSA-N 380.404 0.782 70 50 GCIA Cc1cc(C(=O)N2CCCn3nc(CO)cc3C2)cc(S(N)(=O)=O)c1C 217805848 VXSPCDUMOIZEJA-UHFFFAOYSA-N 378.454 0.686 70 50 GCIA CC(=O)N1CC(Nc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)=CC1=O 218504748 HYHVZKMIIYTNKZ-AWEZNQCLSA-N 377.422 0.288 70 50 GCIA COCc1nn2c(=O)cc(CSCC(=O)Nc3cnn(C)c3)nc2s1 218484671 XEBNVVPEAZJSOZ-UHFFFAOYSA-N 380.455 0.903 70 50 GCIA COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)C(C)C)C2=O)cc1OC 217760218 CEJVRJNYABLGNK-UONOGXRCSA-N 393.440 0.647 70 50 GCIA biogenic Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1 218274894 IXNZJKCMGBUZGN-LBPRGKRZSA-N 375.454 0.872 70 50 GCIA COc1cc2ncn(CC(=O)N[C@H](CO)CCSC)c(=O)c2cc1OC 217678338 DWIAEEORTMFUNH-NSHDSACASA-N 381.454 0.644 70 50 GCIA biogenic Cn1nc2cccc(S(=O)(=O)N3CCC(CO)(CN4CCCC4)CC3)c2n1 218687458 UNNNNVRJVWREDF-UHFFFAOYSA-N 393.513 0.827 70 50 GCIA CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 217618294 KASBZRKKXLWJGO-KWCYVHTRSA-N 391.424 0.749 70 50 GCIA biogenic Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCCn2nc(CO)cc2C1 217940161 NWOHYIJCXXVJLR-UHFFFAOYSA-N 378.410 0.713 70 50 GCIA COCC(=O)N1CCN(C(=O)CCCc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 216933959 KDGUIEJFUDPGCF-SJORKVTESA-N 394.493 0.492 70 50 GCIA Cc1csc(SCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)n1 218644634 CNRUSZKSKFVGDH-SASUGWTJSA-N 377.513 0.365 70 50 GCIA CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007510 IQCXMWPTZXYXJZ-GWCFXTLKSA-N 399.487 0.979 70 50 GCIA C[C@@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3oc(=O)n(C)c3c1)C2 217574702 LFOGOGISFYEESQ-SNVBAGLBSA-N 378.410 0.586 70 50 GCIA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2c(c1)OCCO2 218430332 QZKSAGLINLPTLM-NSHDSACASA-N 375.381 0.587 70 50 GCIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N1CCN(S(C)(=O)=O)CC1 218465541 HUPBPGGUTGIKBK-HNNXBMFYSA-N 397.497 0.362 70 50 GCIA COc1cccc2c1CCc1c(C(=O)N3CCN(S(C)(=O)=O)CC3)n[nH]c1-2 218489446 FJMHEWLKAKGHOA-UHFFFAOYSA-N 390.465 0.901 70 50 GCIA COCCCn1c(C)cc(C)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1=O 218603659 UJBOHFWATOTQNL-UHFFFAOYSA-N 385.486 0.219 70 50 GCIA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@H](CO)C(C)C)C2=O)cc1 217701340 WSTLIFIMYYGNJK-JKSUJKDBSA-N 377.441 0.681 70 50 GCIA biogenic COC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccnn1C 218314362 DZEOQCPXZHNYHO-ZDUSSCGKSA-N 377.397 0.606 70 50 GCIA O=C(CC1(n2cnnn2)CCSCC1)N1CCC(CS(=O)(=O)F)CC1 2325886016 NWRCGBZHFFITRR-UHFFFAOYSA-N 391.494 0.823 70 50 GCIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCN1CCOCC1 218231253 PDUWILPWQMHZJW-UHFFFAOYSA-N 380.470 0.461 70 50 GCIA CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217633229 SGPBPIBJNRPJSS-KGLIPLIRSA-N 380.466 0.994 70 50 GCIA biogenic COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 218511928 YPWIBQMXYILBBY-RISCZKNCSA-N 395.437 0.204 70 50 GCIA COC(=O)C[C@H](c1cnn(C)c1)c1oc(CN2CCOCC2)cc(=O)c1O 218135041 OFJYVQUILUATAD-CQSZACIVSA-N 377.397 0.606 70 50 GCIA Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1[C@H](CC(N)=O)c1c(C)[nH][nH]c1=O 218227085 SDKQYFQWECWOLS-SJCJKPOMSA-N 395.485 0.366 70 50 GCIA COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2cccn2)C1=O 218417522 HBWSAEFKQOAHPV-HNNXBMFYSA-N 385.424 0.561 70 50 GCIA CC(C)CN1CCCn2nc(CNC(=O)CN3CC[C@@H](N(C)C)C3)cc2C1 216645083 QLJCXRZBEVMQBN-GOSISDBHSA-N 376.549 0.997 70 50 GCIA CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007511 IQCXMWPTZXYXJZ-GXFFZTMASA-N 399.487 0.979 70 50 GCIA COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CC1 218013516 CFZCIKAABAGDKK-GDBMZVCRSA-N 384.454 0.657 70 50 GCIA CNC[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 161291569 RFTGVZPLNUOHGA-PBHICJAKSA-N 385.468 0.334 70 50 GCIA CS(=O)(=O)N[C@@H]1[C@@H](NC2CCN(Cc3ccccc3)CC2)[C@H]2CCO[C@H]21 218128588 ZHLBKHFRRBHHTG-FCGDIQPGSA-N 379.526 0.946 70 50 GCIA CNS(=O)(=O)c1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1 217211216 IVVMMDJNFWDEAI-KRWDZBQOSA-N 380.470 0.223 70 50 GCIA CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)CN1CCCCCC1)C2 218091002 YSLODRVMDCGTSM-KRWDZBQOSA-N 377.489 0.613 70 50 GCIA O=C(c1cnc(N2CCOCC2)nc1)N1CCn2nc([C@@H](O)C3CC3)cc2C1 218589532 OWWYYYRONIHFJL-KRWDZBQOSA-N 384.440 0.609 70 50 GCIA CSCC[C@@H](CO)NC(=O)CCn1ccc2c(cnc3ccnn32)c1=O 218385181 AYXIBYYGNZAFKV-LBPRGKRZSA-N 375.454 0.665 70 50 GCIA O=C1N[C@@H](CC(=O)N2CCN(c3cnccn3)CC2)C(=O)Nc2ccccc21 218018853 PRAYJOHLQJAVPI-HNNXBMFYSA-N 380.408 0.266 70 50 GCIA biogenic CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2c(c1)OCCO2 218430258 QZKSAGLINLPTLM-LLVKDONJSA-N 375.381 0.587 70 50 GCIA CN(C)C(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1n[nH]c(N)c1-c1ccccc1 218062671 RLENEUHGURCVCT-KGLIPLIRSA-N 387.440 0.651 70 50 GCIA CCn1nccc1S(=O)(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1 218228775 BPNYIEBMWUCIKK-OAHLLOKOSA-N 382.490 0.289 70 50 GCIA CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 217633320 SGPBPIBJNRPJSS-KBPBESRZSA-N 380.466 0.994 70 50 GCIA biogenic COc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1-n1nnnc1-n1cccn1 218571335 GXKKIWVWGMXFFV-UHFFFAOYSA-N 380.368 0.541 70 50 GCIA CS(=O)(=O)N1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1 218563219 NMPKDLDCEVPCBU-UHFFFAOYSA-N 385.486 0.409 70 50 GCIA CNC(=O)c1cccc(S(=O)(=O)N2CCCn3nc([C@@H](C)O)cc3C2)c1 217548469 CULSLBKBSVJOLE-GFCCVEGCSA-N 378.454 0.891 70 50 GCIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCS(=O)(=O)N(C)C 218460562 UYXHZKFIMASRKF-AWEZNQCLSA-N 385.486 0.265 70 50 GCIA COc1ccc(C(=O)N2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cn1 218593395 JFDKFYWHXDSOEO-CQSZACIVSA-N 380.426 0.021 70 50 GCIA O=C1COc2ccc(S(=O)(=O)N3CCCn4nc(CO)cc4C3)cc2N1 216998564 GFDMWUNVFNKUMJ-UHFFFAOYSA-N 378.410 0.301 70 50 GCIA CNC(=O)c1ccc(/C=C/C(=O)N2C[C@@H](S(=O)(=O)F)C[C@@H]2C(=O)OC)cc1 2325887698 YBZHTWONWYCAJD-VTDTZARESA-N 398.412 0.501 70 50 GCIA CNC(=O)c1ccc(/C=C/C(=O)N2C[C@@H](S(=O)(=O)F)C[C@H]2C(=O)OC)cc1 2325887696 YBZHTWONWYCAJD-NSDHSQQOSA-N 398.412 0.501 70 50 GCIA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc3c(c1)CCO3)C2 218124535 DORDVCGYANTREI-KRWDZBQOSA-N 377.466 0.912 70 50 GCIA CNC[C@H]1CCCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 161291786 RFTGVZPLNUOHGA-RHSMWYFYSA-N 385.468 0.334 70 50 GCIA COC(=O)CC1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1 218465980 DXKSGCHPRPHJSV-UHFFFAOYSA-N 380.441 0.953 70 50 GCIA CNS(=O)(=O)c1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1 217211224 IVVMMDJNFWDEAI-QGZVFWFLSA-N 380.470 0.223 70 50 GCIA COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccnn1C 218314287 DZEOQCPXZHNYHO-CYBMUJFWSA-N 377.397 0.606 70 50 GCIA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nnnn1-c1ccccc1 217952216 GJTOJOKPTYWAHT-HNNXBMFYSA-N 391.391 0.419 70 50 GCIA biogenic COC(=O)[C@H](CCSC)NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 217689073 OUWIISNUKFREFG-KGLIPLIRSA-N 393.465 0.928 70 50 GCIA biogenic COc1c2c(c(S(=O)(=O)NC[C@H]3CCCO3)c3c1C(=O)N(C)CC3)OCO2 218107704 UPLOBDZBKZTCLG-SNVBAGLBSA-N 398.437 0.509 70 50 GCIA biogenic CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 217927873 BPZIHVOQIIUTND-UONOGXRCSA-N 391.424 0.749 70 50 GCIA biogenic C[C@H](O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc3oc(=O)n(C)c3c1)C2 217574794 LFOGOGISFYEESQ-JTQLQIEISA-N 378.410 0.586 70 50 GCIA CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](COC)c2ccnn2C)cc1 218394486 MLKVMZAHDAOQDT-OAHLLOKOSA-N 380.470 0.765 70 50 GCIA O=C(CCS(=O)(=O)c1ccccc1)N1CCn2nc([C@H](O)CO)cc2C1 217664242 IVTRXWBNGOPURP-MRXNPFEDSA-N 379.438 0.115 70 50 GCIA Cc1cc(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc(C)n1 217764452 GONNEOYZJFVGJY-UHFFFAOYSA-N 381.502 0.972 70 50 GCIA Cn1cc(S(=O)(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)cn1 218212625 GOILNZZTLNUDDR-HUUCEWRRSA-N 380.426 0.034 70 50 GCIA O=C(c1cnc(CN2CCCC2)s1)N1CCn2nc([C@H](O)CO)cc2C1 217863455 IJNZETZUUJDRNL-CQSZACIVSA-N 377.470 0.617 70 50 GCIA CN(C)CC(=O)N1CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1 1875382676 LVTXWVNSNFJNBX-UHFFFAOYSA-N 388.421 0.517 70 50 GCIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCS(=O)(=O)N(C)C 218460638 UYXHZKFIMASRKF-CQSZACIVSA-N 385.486 0.265 70 50 GCIA O=C(c1cnc(N2CCOCC2)nc1)N1CCn2nc([C@H](O)C3CC3)cc2C1 218589594 OWWYYYRONIHFJL-QGZVFWFLSA-N 384.440 0.609 70 50 GCIA COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCCN3CCOCC3)C2=O)cc1 218444549 VVQABEROSSORCJ-INIZCTEOSA-N 390.440 0.349 70 50 GCIA O=C(c1cnc2sccn2c1=O)N1CCCn2nc([C@@H](O)CO)cc2C1 217414180 UGNGDIHWPNQWFP-ZDUSSCGKSA-N 375.410 0.024 70 50 GCIA NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCN2CCCCC2=O)cc1 218142559 RJDUNRWERTYYBT-IAGOWNOFSA-N 389.452 0.841 70 50 GCIA CCn1nccc1S(=O)(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1 218228718 BPNYIEBMWUCIKK-HNNXBMFYSA-N 382.490 0.289 70 50 GCIA COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCn2cccn2)C1=O 218271127 ZGWUMIDZZFBMGF-HNNXBMFYSA-N 385.424 0.909 70 50 GCIA CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)CN1CCCCCC1)C2 218090928 YSLODRVMDCGTSM-QGZVFWFLSA-N 377.489 0.613 70 50 GCIA COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)CCSC)C2=O)cc1 217927656 XGLBOTRDEDLQKI-ZFWWWQNUSA-N 395.481 0.736 70 50 GCIA biogenic CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(Cc1cccc3nonc13)C2 218534648 WDMAHABFNSIFQD-HNNXBMFYSA-N 377.426 0.513 70 50 GCIA CCc1cc(C(=O)N2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)cc(=O)[nH]1 218733059 QPDVVTAELATRAF-GOSISDBHSA-N 382.424 0.605 70 50 GCIA CC(C)C[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 217703529 ILNFXQJYTYCQPR-KBPBESRZSA-N 391.424 0.749 70 50 GCIA biogenic CNC[C@@H]1CCCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 161291481 RFTGVZPLNUOHGA-YOEHRIQHSA-N 385.468 0.334 70 50 GCIA COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CN2CCOCC2)cc(=O)c1O 218135123 OFJYVQUILUATAD-AWEZNQCLSA-N 377.397 0.606 70 50 GCIA Cc1c(C(=O)N2CCn3nc([C@@H](O)CO)cc3C2)sc2nc[nH]c(=O)c12 217728496 GKVBCQNLYLTSOS-NSHDSACASA-N 375.410 0.171 70 50 GCIA CN(C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CCC(N)CC1 161472310 LYLNZKJLZUYTEC-JMLCCBQJSA-N 399.495 0.852 70 50 GCIA Cc1ccc(S(=O)(=O)F)cc1CN=c1ccn(CCN2CCNC2=O)[nH]1 1875381089 KDUKXTHYAWOHPP-UHFFFAOYSA-N 381.433 0.909 70 50 GCIA CO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 217761755 KRZFGTDXBSDSTI-MRXNPFEDSA-N 381.498 0.874 70 50 GCIA O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CCOC[C@H]1OCC1CC1 218063988 OWDZMJQGTYSIPB-IAGOWNOFSA-N 375.473 0.299 70 50 GCIA NS(=O)(=O)c1ccc(CNC(=O)Cn2cnc3ccsc3c2=O)cc1 218429191 HZUKEFPOFDOCHJ-UHFFFAOYSA-N 378.435 0.422 70 50 GCIA CS(=O)(=O)C[C@H](O)c1cc2n(n1)CCN(C1CSCCSC1)C2 218576863 FGJCITRCRSUWGF-AWEZNQCLSA-N 377.557 0.625 70 50 GCIA CC(=O)N1CC(Nc2cccc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2)=CC1=O 218604229 ODZHGVSKGSLNLP-LBPRGKRZSA-N 377.422 0.744 70 50 GCIA CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 1776007512 IQCXMWPTZXYXJZ-MFKMUULPSA-N 399.487 0.979 70 50 GCIA