smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CO[C@@H]1[C@@H](Br)CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865271 FAQIMNLAUYJNDQ-DJLDLDEBSA-N 338.198 2.207 50 30 EEGC CNC(=S)NNC(=O)CC=NOCc1ccc(Cl)cc1Cl 254394590 DRAGVSONRIRYST-UHFFFAOYSA-N 349.243 2.011 50 30 EEGC O=C(CN1C(=O)CSc2ccccc21)N/N=C/c1ccc(F)cc1 160566 YLUSETHTWZVPPO-DJKKODMXSA-N 343.383 2.415 50 30 EEGC COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NN 76401 DTFSBAFPSBTXBI-UHFFFAOYSA-N 330.127 2.039 50 30 EEGC CCOC(=O)C1CCN(/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1 33384793 SCMDKHPQQGVKML-DTQAZKPQSA-N 348.424 2.100 50 30 EEGC O=C1OC(=O)c2cc(Sc3ccc4c(c3)C(=O)OC4=O)ccc21 113522784 PHCJRSXXXCZFPL-UHFFFAOYSA-N 326.285 2.459 50 30 EEGC O=C(CCc1ccc(O)cc1)NNC(=S)Nc1ccc(F)cc1 67486 RRCBLLCVNFNBSW-UHFFFAOYSA-N 333.388 2.482 50 30 EEGC CCOC(=O)C12CC(CI)(C1)OC21CCC1 1535645142 XASOCXSMDJMDSY-UHFFFAOYSA-N 336.169 2.456 50 30 EEGC CO[C@@H]1[C@H](Br)CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865275 FAQIMNLAUYJNDQ-IWSPIJDZSA-N 338.198 2.207 50 30 EEGC Cc1noc(C)c1C(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1 112166 ZABKTYSBMOANAQ-UHFFFAOYSA-N 343.261 2.265 50 30 EEGC CCOC(=O)[C@H]1CCC(=O)C(F)(F)[C@@H](I)C1 1536220637 XFJRUDAOGPQPIT-BQBZGAKWSA-N 346.111 2.358 50 30 EEGC CCOC(=O)c1cnc(NNC(=O)C(C)(C)C)nc1C(F)(F)F 116178 DMZYNYSAPOHPNO-UHFFFAOYSA-N 334.298 2.161 50 30 EEGC COc1cc(C=NNC(=O)Cc2ccccc2)cc(OC)c1OC 13114991 JRDXNRXLXOQSPI-UHFFFAOYSA-N 328.368 2.405 50 30 EEGC C=Cc1ccccc1CNCCNCCC[Si](OC)(OC)OC 195762035 GYSSGKQFRUMLDF-UHFFFAOYSA-N 338.524 2.277 50 30 EEGC COC(=O)c1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cn1C 112701 TXJVTGLMKRUVKX-RIYZIHGNSA-N 330.365 2.150 50 30 EEGC CNC(=S)NNC(=O)CSCc1c(Cl)cccc1Cl 13656665 MNJZJEPGKLEIIX-UHFFFAOYSA-N 338.285 2.352 50 30 EEGC C[C@]1(C(=O)NN=Cc2ccccc2F)Oc2ccccc2NC1=O 254405588 PESHSTWVLNRZOC-KRWDZBQOSA-N 327.315 2.066 50 30 EEGC CCCc1ccc(C(=O)NNc2ccc(S(N)(=O)=O)cc2)cc1 148292 VECNIDKVGJIPKT-UHFFFAOYSA-N 333.413 2.043 50 30 EEGC CCCCN1C(=O)C(C#N)=C(C)/C(=N\Nc2ccc(C#N)cc2)C1=O 100210018 XZMGWCHLQHYRAQ-CJLVFECKSA-N 335.367 2.335 50 30 EEGC CC(=O)NNC(=O)c1sc2nc(-c3ccc(Cl)cc3)nn2c1C 124283 HZXKWFKPXFSJOA-UHFFFAOYSA-N 349.803 2.201 50 30 EEGC C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)CBr 34254432 SAWQYKHJYLJONO-NWDGAFQWSA-N 334.210 2.143 50 30 EEGC CCn1nc(C)cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 121423 DWUTUDMKCZSOLA-UHFFFAOYSA-N 340.305 2.305 50 30 EEGC Cc1ccc(OCC(=O)NNC(=O)c2cccc(F)c2)c2c1CCC2 4336044 AAMRJZSZDYXENW-UHFFFAOYSA-N 342.370 2.463 50 30 EEGC CNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1-c1ccccc1 4344237 RZDHMIVUBJDMLO-GFCCVEGCSA-N 329.425 2.246 50 30 EEGC O=S(=O)(CCN(CCCl)CCCl)Oc1ccccc1 6116004 WYGRTMGCDPQGQC-UHFFFAOYSA-N 326.245 2.175 50 30 EEGC O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1cccs1 125833 IVRANYNXYFITHG-GFCCVEGCSA-N 347.421 2.012 50 30 EEGC O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccnc1 4300931 UGXSXGOHDVAPHB-UHFFFAOYSA-N 330.457 2.159 50 30 EEGC Cc1noc(C)c1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 112159 IFCGLYJDDXQOSJ-UHFFFAOYSA-N 327.262 2.385 50 30 EEGC Cc1onc(C(=O)NN)c1-c1csc(COc2ccccc2)n1 123611 QJXIHDVMIVINNB-UHFFFAOYSA-N 330.369 2.289 50 30 EEGC O=[N+]([O-])c1ccccc1S(=O)(=O)N(CCCl)CCCl 138128195 FMPWFHQUILGARU-UHFFFAOYSA-N 327.189 2.063 50 30 EEGC CC(C)(O)C(C)(C)OB(O)c1ccc(CBr)cc1Cl 200324960 FEYZCGWLIUZAPZ-UHFFFAOYSA-N 349.461 2.489 50 30 EEGC O=C(NNC(=O)c1ccc2nonc2c1)Nc1ccc(Cl)cc1 171033 WTTVEWZPEITTEH-UHFFFAOYSA-N 331.719 2.343 50 30 EEGC Cc1cc(-c2onc(C)c2C(=O)NNC(=O)c2ccccc2)no1 4394543 NILFINBYAMXCBR-UHFFFAOYSA-N 326.312 2.021 50 30 EEGC CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)cc(OC)c1 103140 MTSQZXNJGXNVPF-MRXNPFEDSA-N 344.367 2.349 50 30 EEGC O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl 4344520 MAHGZDXDCSPOKU-QGMBQPNBSA-N 337.166 2.477 50 30 EEGC O=C(CCl)N(I)CCc1ccc(O)cc1 6092848 NKIUQIJBRQKEBQ-UHFFFAOYSA-N 339.560 2.352 50 30 EEGC CC(=O)OCc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccn2)o1 33384548 LQTKWVORAVSQOF-ZSOIEALJSA-N 332.337 2.076 50 30 EEGC CCOC(=O)N/N=C1\C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc21 106028 FTYDQYGMYYJSBT-JNFXEEFXSA-N 330.793 2.356 50 30 EEGC Cc1ccc(/C=N/NC(=O)CN2C(=O)CSc3ccccc32)o1 160560 KBYHMSMUWQHSGL-CAOOACKPSA-N 329.381 2.177 50 30 EEGC COc1cccc(/C=N/NC(=O)c2cnn(-c3ccccc3)c2N)c1 154398 CEVQFUBXBHIHHK-RGVLZGJSSA-N 335.367 2.227 50 30 EEGC CC1(C)O[C@@H]2[C@@H](O)C=C[C@@H](O)[C@]2(CO[Si](C)(C)C(C)(C)C)O1 2265352238 XNGJEAAMIKPFQC-VLXAULBPSA-N 330.497 2.190 50 30 EEGC CC(C)(C)OC(=O)N1CCC(N2CC[C@H](Br)C2=O)CC1 98177582 DNERPQGGMNNWSV-NSHDSACASA-N 347.253 2.382 50 30 EEGC Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccc(Cl)c1 122078 LQOFJEXLVIWFLM-UHFFFAOYSA-N 334.807 2.446 50 30 EEGC COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1OC 137270 MEEFOGVKZIKPNM-SDNWHVSQSA-N 325.368 2.298 50 30 EEGC Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NN 95580 YGMCNGIOCYPFHM-UHFFFAOYSA-N 330.818 2.146 50 30 EEGC O=C(N/N=C/c1ccccc1Cl)c1cc(=O)nc2sccn12 126587 SDVOKQHPVJKCQH-LZYBPNLTSA-N 332.772 2.173 50 30 EEGC CCOC(=O)[C@@H]1CCC(=O)C(F)(F)[C@H](I)C1 1536220648 XFJRUDAOGPQPIT-RNFRBKRXSA-N 346.111 2.358 50 30 EEGC COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccccc1O 33891411 JLFHUGXYBUGWLP-CABCVRRESA-N 346.770 2.237 50 30 EEGC CCCCN1C(=O)C(C#N)=C(C)/C(=N\Nc2ccc(OC)cc2)C1=O 100210006 RHGQCKODOHAJPO-LTGZKZEYSA-N 340.383 2.472 50 30 EEGC COc1cc2ncnc(NNC(=O)c3cccs3)c2cc1OC 117109 ADADTPTWTFPSNW-UHFFFAOYSA-N 330.369 2.465 50 30 EEGC CCOC(=O)[C@@H]1CCC(=O)C(F)(F)[C@@H](I)C1 1536220652 XFJRUDAOGPQPIT-RQJHMYQMSA-N 346.111 2.358 50 30 EEGC CCOC(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)OCC 2154467 HQQMYPRLOJENOT-UHFFFAOYSA-N 329.784 2.282 50 30 EEGC CCOC(=O)N/N=C1\C[C@H](C)S(=O)(=O)c2ccc(Cl)cc21 106033 FTYDQYGMYYJSBT-NIYMHHKZSA-N 330.793 2.356 50 30 EEGC COc1cc(/C=N/NC(=O)c2ccccc2N)cc(OC)c1OC 137176 IHKWRHAPVSZQPH-VXLYETTFSA-N 329.356 2.059 50 30 EEGC COc1cccc(C(=O)NNC(=O)NC(=O)c2ccccc2Cl)c1 3078837 GYLSKEIUHJRRGT-UHFFFAOYSA-N 347.758 2.133 50 30 EEGC O=C(CCI)CCI 97974479 MARSRGXUACSFTJ-UHFFFAOYSA-N 337.926 2.206 50 30 EEGC COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccccc1O 33891406 JLFHUGXYBUGWLP-LSDHHAIUSA-N 346.770 2.237 50 30 EEGC COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccccc1O 33891408 JLFHUGXYBUGWLP-GJZGRUSLSA-N 346.770 2.237 50 30 EEGC O=C(/C=C/c1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1 85613220 QDPOOGQUCJJZAO-FCXRPNKRSA-N 342.303 2.305 50 30 EEGC biogenic O=C(NNC(=S)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 13658555 YSRZLQVEHHOQPP-UHFFFAOYSA-N 334.332 2.365 50 30 EEGC CO[C@@H]1[C@@H](Br)CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865276 FAQIMNLAUYJNDQ-XHNCKOQMSA-N 338.198 2.207 50 30 EEGC O=C(CCc1ccc(O)cc1)NNC(=S)NCCc1ccccc1 13657665 PZPUEZPDYZUHBT-UHFFFAOYSA-N 343.452 2.063 50 30 EEGC CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)cc(OC)c1 103142 MTSQZXNJGXNVPF-INIZCTEOSA-N 344.367 2.349 50 30 EEGC CC1(C)[C@H](Br)C(=O)[C@H](Br)C(C)(C)N1[O] 146737494 ZLISWGUSBUHSJW-KNVOCYPGSA-N 328.024 2.301 50 30 EEGC CN(C)C=NNC(=O)CSc1ncc(C(F)(F)F)cc1Cl 2265279015 VOUOMHLZYVKJAU-UHFFFAOYSA-N 340.758 2.467 50 30 EEGC C[C@H](O[Si](C)(C)C)C1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O 195785733 SBHZFXVJMFKEOO-LBPRGKRZSA-N 348.475 2.215 50 30 EEGC O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1 83238 PCXNDBFEVBDSII-UHFFFAOYSA-N 325.280 2.416 50 30 EEGC O=C(NNc1nccc(-c2cccnc2)n1)c1ccc([N+](=O)[O-])cc1 172582 IVZLYLQISYKUEA-UHFFFAOYSA-N 336.311 2.204 50 30 EEGC NNC(=O)CSC1CN(C(c2ccccc2)c2ccccc2)C1 36049463 FPKLACUJUIMAGR-UHFFFAOYSA-N 327.453 2.183 50 30 EEGC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(N)=S 98210 VKWDHIQOYVDLKZ-UHFFFAOYSA-N 345.211 2.435 50 30 EEGC Cc1cc(C(=O)NNC(=O)Cc2ccccc2F)nn1C(C)(C)C 117767 RDVIDCLANFKLGF-UHFFFAOYSA-N 332.379 2.089 50 30 EEGC C/C(=N\NC(=O)CN1C(=O)CSc2ccccc21)c1ccco1 129798 MVZKKGGBNGIVIP-GZTJUZNOSA-N 329.381 2.259 50 30 EEGC Cc1cc(C(=O)NNC(=O)c2c(-c3ccccc3)noc2C)no1 121452 WMYAVNPKXSFCLJ-UHFFFAOYSA-N 326.312 2.021 50 30 EEGC CNC(=S)NNC(=O)[C@H](C)Oc1ccccc1-c1ccccc1 4344235 RZDHMIVUBJDMLO-LBPRGKRZSA-N 329.425 2.246 50 30 EEGC Cc1cc(C(=O)NNC(=S)NCc2ccccc2)ccc1[N+](=O)[O-] 81126 KZHKUDOHYSHYQS-UHFFFAOYSA-N 344.396 2.212 50 30 EEGC N#CC(C#N)=Cc1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-] 110350 CWDHWAPBCUKXLT-UHFFFAOYSA-N 328.309 2.064 50 30 EEGC CCOC(=O)[C@H]1CCC(=O)C(F)(F)[C@H](I)C1 1536220644 XFJRUDAOGPQPIT-NKWVEPMBSA-N 346.111 2.358 50 30 EEGC O=C(N/N=C/c1ccc(Cl)cc1)c1cc(=O)nc2sccn12 126532 XJQZUIDVELZHOP-LZYBPNLTSA-N 332.772 2.173 50 30 EEGC CSc1nc(C)nc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)n1 95139 QRYSQFKDXXTHLF-FMIVXFBMSA-N 347.425 2.153 50 30 EEGC CCOC(=O)c1cnc(NNC(=O)c2ccco2)nc1C(F)(F)F 116169 LLKOMBWCQHVXLW-UHFFFAOYSA-N 344.249 2.022 50 30 EEGC CNc1ncnc(NNC(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 4362624 LKCIZJASACZDTP-UHFFFAOYSA-N 337.727 2.229 50 30 EEGC CC(C)(C)OC(=O)N1C[C@@]2(CI)C[C@H]1CO2 669371734 VYSAILWZWFSAOH-KWQFWETISA-N 339.173 2.200 50 30 EEGC Cc1noc(C)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1 112126 JDWWTHXBTRAAOT-UHFFFAOYSA-N 327.262 2.385 50 30 EEGC NC(=S)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13658456 RIMCVMYTXGEVLC-UHFFFAOYSA-N 331.241 2.202 50 30 EEGC COc1cccc(NC(=S)NNC(=O)c2ccc(N(C)C)cc2)c1 137366 IYUIEYGBBFJSGM-UHFFFAOYSA-N 344.440 2.393 50 30 EEGC ClCCO[Si](OCCCl)(OCCCl)OCCCl 195767134 VGIMKJVSTSXVSI-UHFFFAOYSA-N 346.110 2.444 50 30 EEGC CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 66660 YCTWXZKWDJWWAP-LICLKQGHSA-N 326.312 2.317 50 30 EEGC O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1cccs1 125835 IVRANYNXYFITHG-LBPRGKRZSA-N 347.421 2.012 50 30 EEGC Cc1ccc(OCC(=O)NNC(=O)Cc2ccccc2)c2c1CCC2 4336047 YGSMHFBCXRLWNO-UHFFFAOYSA-N 338.407 2.253 50 30 EEGC Cc1ccc(N(C)NC(=O)NC(=O)c2c(F)cccc2Cl)nn1 92880 FTXXYMTYOWUZOZ-UHFFFAOYSA-N 337.742 2.068 50 30 EEGC CC(=O)Nc1ccc(NC(=O)C(=O)NN=C(C)c2cccs2)cc1 256005326 UUXFSMCNEXCROH-UHFFFAOYSA-N 344.396 2.185 50 30 EEGC CC(C)(C)OC(=O)N1C[C@H](OC(F)F)C[C@H]1C(=O)OCCl 616574634 OYDZRTSTEBCCKA-SFYZADRCSA-N 329.727 2.343 50 30 EEGC COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccccc1O 33891410 JLFHUGXYBUGWLP-HUUCEWRRSA-N 346.770 2.237 50 30 EEGC CC(C)(C)OC(=O)N1CCC(N2CC[C@@H](Br)C2=O)CC1 98177583 DNERPQGGMNNWSV-LLVKDONJSA-N 347.253 2.382 50 30 EEGC CCOC(CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)OCC 2154460 DAQJGUBNJAFADJ-UHFFFAOYSA-N 348.321 2.256 50 30 EEGC CCOc1ccsc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 82843 XMZVWWHXQHWVST-UHFFFAOYSA-N 335.341 2.130 50 30 EEGC Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1ccccc1Cl 122083 MGGQMLBKJWEMNR-UHFFFAOYSA-N 334.807 2.446 50 30 EEGC Cc1cc(-c2onc(C)c2C(=O)NNC(=O)Nc2ccccc2)no1 122681 HLHHPGBSGFQWLR-UHFFFAOYSA-N 341.327 2.413 50 30 EEGC COc1ccc(NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 66663 SLEDDVULRCUPRX-UHFFFAOYSA-N 346.368 2.235 50 30 EEGC O=P(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1 103834355 LMBQOLBVWODAFG-UHFFFAOYSA-N 326.288 2.443 50 30 EEGC CO[C@@H]1[C@H](Br)CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865273 FAQIMNLAUYJNDQ-HRDYMLBCSA-N 338.198 2.207 50 30 EEGC O=C(CCl)NN1C(=O)C(=Cc2cccc(F)c2)SC1=S 2265279766 NPSDHADEYKGSPX-UHFFFAOYSA-N 330.793 2.297 50 30 EEGC CCOC(=O)/C(C#N)=C/Nc1ccc2oc(=O)c(NC(C)=O)cc2c1 167491 MEQWZPHKCDBCMJ-FMIVXFBMSA-N 341.323 2.134 50 30 EEGC CO[Si](CCCN(C)CCN/C=C/c1ccccc1)(OC)OC 203609354 ZPMDNPUWYVRSGZ-VAWYXSNFSA-N 338.524 2.447 50 30 EEGC C=CCOC(=O)N1CCC[C@H](OC)[C@@H]1CC(=O)CBr 34254433 SAWQYKHJYLJONO-RYUDHWBXSA-N 334.210 2.143 50 30 EEGC CN(NC(=O)Nc1ccc(Cl)cc1)c1cnn(C)c(=O)c1Cl 92935 QHRWREKKSUNVGR-UHFFFAOYSA-N 342.186 2.260 50 30 EEGC CN(C)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2N)cc1 4306915 RVFTZIHHKYLNNB-UHFFFAOYSA-N 332.791 2.063 50 30 EEGC CC1(C)[C@H](Br)C(=O)[C@@H](Br)C(C)(C)N1[O] 146737682 ZLISWGUSBUHSJW-RNFRBKRXSA-N 328.024 2.301 50 30 EEGC C[C@@H](O[Si](C)(C)C)C1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O 195785735 SBHZFXVJMFKEOO-GFCCVEGCSA-N 348.475 2.215 50 30 EEGC N#C/C(=C\N1CCC(n2cccc2)CC1)S(=O)(=O)c1ccccn1 33384811 PSFFWXXRKOACQQ-JQIJEIRASA-N 342.424 2.359 50 30 EEGC O=C(CN1C(=O)CSc2ccccc21)N/N=C/c1cccs1 160584 CYAYTNBWOTUXOX-LZYBPNLTSA-N 331.422 2.337 50 30 EEGC O=C(OOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 111388537 NHJFHUKLZMQIHN-UHFFFAOYSA-N 326.042 2.383 50 30 EEGC C=CCOC(=O)N1CCC[C@@H](OC)[C@H]1CC(=O)CBr 34254429 SAWQYKHJYLJONO-VXGBXAGGSA-N 334.210 2.143 50 30 EEGC CNc1ncnc(NNC(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-] 4362627 JIRAPJQJQJCSTC-UHFFFAOYSA-N 337.727 2.229 50 30 EEGC CC1(C)[C@@H](Br)C(=O)[C@H](Br)C(C)(C)N1[O] 146737891 ZLISWGUSBUHSJW-BQBZGAKWSA-N 328.024 2.301 50 30 EEGC COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1OC 6569474 GTGCDYFLBKALTK-UHFFFAOYSA-N 345.424 2.264 50 30 EEGC