smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 161003608 AGLSOOPWWRZDEK-IBGZPJMESA-N 364.489 4.669 70 50 FJIA C[C@@H]1CSc2ccccc2N(C(=O)c2csc(-c3ccccn3)n2)C1 159565509 AWUMBVJWVVFTGA-ZDUSSCGKSA-N 367.499 4.594 70 50 FJIA Cn1cc(CCCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 218052852 UTICCSAMEQQDRS-NRFANRHFSA-N 361.489 4.650 70 50 FJIA biogenic O=C(Nc1cccnc1SCc1ccccn1)c1ccc(F)c(Cl)c1 218213681 IAWATPFUWUSXJK-UHFFFAOYSA-N 373.840 4.814 70 50 FJIA C[C@@H]1CSc2ccccc2N(C(=O)c2cnc(-c3ccccn3)s2)C1 159494134 NXAMWJGIRAAOSD-ZDUSSCGKSA-N 367.499 4.594 70 50 FJIA COc1ccc(N(C)C(=O)c2csc(-c3ccc(C)cc3C)n2)cc1F 159443397 TYIBQGQSESYZGW-UHFFFAOYSA-N 370.449 4.851 70 50 FJIA COc1ccccc1-c1nnc(CN2c3ccccc3S[C@H](C)[C@H]2C)o1 161254968 PZFSVIXCUHTPKD-ZIAGYGMSSA-N 367.474 4.635 70 50 FJIA CCN(C(=O)c1cccc(-c2cccc(OC)c2)c1)[C@H]1CCOC(C)(C)C1 218538787 OISFNXZGPHUYBV-FQEVSTJZSA-N 367.489 4.782 70 50 FJIA C[C@H]1CSc2ccccc2N(C(=O)c2cnc(-c3ccccn3)s2)C1 159494003 NXAMWJGIRAAOSD-CYBMUJFWSA-N 367.499 4.594 70 50 FJIA CC(C)n1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 218078229 MGXANKRISAGEJQ-NRFANRHFSA-N 361.489 4.914 70 50 FJIA biogenic FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F 169806473 GATGUNJRFUIHOM-UHFFFAOYSA-N 361.544 4.839 70 50 FJIA in-vitro Cc1cccc([C@@H]2CCCN2Cc2nc3cc(C(F)(F)F)ccc3o2)n1 160374312 FTCMGWDLFXKKAN-INIZCTEOSA-N 361.367 4.887 70 50 FJIA CC(C)c1ccc(CN(C(=O)c2csc([C@H]3CCCO3)n2)C2CC2)cc1 160213360 PDPZAXKLOBMASF-LJQANCHMSA-N 370.518 4.923 70 50 FJIA C[C@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1Cl 161284268 MADKDRWFNSREQH-INIZCTEOSA-N 356.897 4.543 70 50 FJIA CC[C@@H](SCC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1 161341054 LPKWVCONQQJBDO-GOSISDBHSA-N 360.454 4.607 70 50 FJIA CC/C=C(\CC)B(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C 196074696 KNTIQRJOCZGFSX-RGVLZGJSSA-N 364.338 4.832 70 50 FJIA CCN(C(=O)c1cccc(-c2cccc(OC)c2)c1)[C@@H]1CCOC(C)(C)C1 218538716 OISFNXZGPHUYBV-HXUWFJFHSA-N 367.489 4.782 70 50 FJIA CC(C)C[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c21 217933460 QGCQQEDHILTOEN-CQSZACIVSA-N 364.397 4.604 70 50 FJIA biogenic O=C(CCn1ccc2ccc(Cl)cc21)N1CCCC[C@H]1c1cccnc1 218057566 RDEPSZZZGHJFTD-IBGZPJMESA-N 367.880 4.834 70 50 FJIA biogenic Cc1ccc(CCNC(=O)c2cc(N3CCCCC3)ccc2Cl)s1 218014920 PKVPLPZSDBPGPO-UHFFFAOYSA-N 362.926 4.673 70 50 FJIA Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 161003490 AGLSOOPWWRZDEK-LJQANCHMSA-N 364.489 4.669 70 50 FJIA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCc2c([nH]c3ccccc23)C1 217917556 YDKJBEXSXNIUBD-UHFFFAOYSA-N 369.468 4.727 70 50 FJIA biogenic c1coc(CN(Cc2ccncc2)Cc2ccc([C@H]3CCCO3)s2)c1 218226134 UAYSDOCWGZYUKS-LJQANCHMSA-N 354.475 4.790 70 50 FJIA Cc1[nH]c2c(c1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1)C(=O)CCC2 218555113 DQUCSWNNOOZORX-GOSISDBHSA-N 368.452 4.739 70 50 FJIA CC(C)C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccnc1 218023856 JFUPFGUVFQOWSK-KRWDZBQOSA-N 350.384 4.547 70 50 FJIA Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1c1cccnc1 217985825 HKKVGJPZFOMMDU-SFHVURJKSA-N 363.486 4.881 70 50 FJIA biogenic CC[C@H](SCC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(F)cc1 161340948 LPKWVCONQQJBDO-SFHVURJKSA-N 360.454 4.607 70 50 FJIA COc1ccccc1-c1nnc(CN2c3ccccc3S[C@H](C)[C@@H]2C)o1 161255102 PZFSVIXCUHTPKD-UONOGXRCSA-N 367.474 4.635 70 50 FJIA c1coc(CN(Cc2ccncc2)Cc2ccc([C@@H]3CCCO3)s2)c1 218226045 UAYSDOCWGZYUKS-IBGZPJMESA-N 354.475 4.790 70 50 FJIA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC[C@H]1c1ccccn1 217760929 IJJWIIVGLZTJNU-FQEVSTJZSA-N 362.429 4.539 70 50 FJIA Cc1nc(C)c(C(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)s1 218409553 DHVYBADMLBCVDS-KRWDZBQOSA-N 370.522 4.818 70 50 FJIA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC[C@@H]1c1ccccn1 217760844 IJJWIIVGLZTJNU-HXUWFJFHSA-N 362.429 4.539 70 50 FJIA CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 218622848 ZKZWCTHQMYGINZ-HXUWFJFHSA-N 356.535 4.740 70 50 FJIA O=C(Cc1csc(-c2ccccc2)n1)N1CCCC[C@H]1c1cccnc1 218031453 NCIZBHLDJWTHJY-IBGZPJMESA-N 363.486 4.501 70 50 FJIA biogenic CC(C)c1ccc(CN(C(=O)c2csc([C@@H]3CCCO3)n2)C2CC2)cc1 160213220 PDPZAXKLOBMASF-IBGZPJMESA-N 370.518 4.923 70 50 FJIA COc1ccccc1-c1nnc(CN2c3ccccc3S[C@@H](C)[C@@H]2C)o1 161254847 PZFSVIXCUHTPKD-KBPBESRZSA-N 367.474 4.635 70 50 FJIA Cn1c(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc2ccc(Cl)cc21 217853201 MNMZTCDZYOXCHT-UHFFFAOYSA-N 363.848 4.512 70 50 FJIA biogenic Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(-c2cccs2)cs1 218282622 FRHBZLHRZITWKV-UHFFFAOYSA-N 372.500 4.586 70 50 FJIA Cc1cccc([C@H]2CCCN2Cc2nc3cc(C(F)(F)F)ccc3o2)n1 160374418 FTCMGWDLFXKKAN-MRXNPFEDSA-N 361.367 4.887 70 50 FJIA Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1 170173714 FXFWLXFJBVILBE-UHFFFAOYSA-N 368.373 4.979 70 50 FJIA COc1ccccc1-c1nnc(CN2c3ccccc3S[C@@H](C)[C@H]2C)o1 161254729 PZFSVIXCUHTPKD-KGLIPLIRSA-N 367.474 4.635 70 50 FJIA CC(C)(C)NC(=O)c1ccc(NCc2ncc(-c3ccccc3)s2)cc1 161185720 HOSVTVBITASIGV-UHFFFAOYSA-N 365.502 4.951 70 50 FJIA CC[B-]1(CC)N(C2CCCCC2)C(NC2CCCCC2)=Nc2cccc[n+]21 195813976 HDLARZQWKADVTI-UHFFFAOYSA-N 368.378 4.862 70 50 FJIA CC(C)C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1cccnc1 218023776 JFUPFGUVFQOWSK-QGZVFWFLSA-N 350.384 4.547 70 50 FJIA CCCc1cc(C(=O)N2CCC[C@H]2c2ccc(CN(C)C)cc2)cs1 218622926 ZKZWCTHQMYGINZ-FQEVSTJZSA-N 356.535 4.740 70 50 FJIA Cc1[nH]c2c(c1C(=O)N1CCCCC[C@H]1c1cccc(F)c1)C(=O)CCC2 218555182 DQUCSWNNOOZORX-SFHVURJKSA-N 368.452 4.739 70 50 FJIA CC(C)C[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c21 217933546 QGCQQEDHILTOEN-AWEZNQCLSA-N 364.397 4.604 70 50 FJIA biogenic C[C@H]1CSc2ccccc2N(C(=O)c2csc(-c3ccccn3)n2)C1 159565345 AWUMBVJWVVFTGA-CYBMUJFWSA-N 367.499 4.594 70 50 FJIA C[C@@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1Cl 161284388 MADKDRWFNSREQH-MRXNPFEDSA-N 356.897 4.543 70 50 FJIA