smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Br[C@H]1c2ccccc2C=Cc2ccccc2[C@H]1Br 97971492 SMCMCCLYQZTDDK-IYBDPMFKSA-N 364.080 5.743 70 1 FKIF biogenic CCCCCC[C@H](C)Nc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217096838 IAZFBLOHYDPEDG-HNNXBMFYSA-N 369.534 5.731 70 1 FKIF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCS(=O)(=O)F 14175997 FUMBQHYWMFCKTB-DOFZRALJSA-N 356.547 6.431 70 1 FKIF Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1OCc1ccccc1 217836643 VZFPRHFAUOGGQN-UHFFFAOYSA-N 373.431 5.611 70 1 FKIF CSc1ccc(-c2cc(CNC34CC5C[C@H](CC[C@@H](C5)C3)C4)no2)cc1 218649226 IZMKXBOSACRJRX-HRIHSXELSA-N 368.546 5.512 70 1 FKIF CC(C)=CCC/C(C)=C\CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 218050186 ABWKPQNPNVWXDB-CZKPLACNSA-N 356.550 6.874 70 1 FKIF O=S(=O)(F)CCCCCCCc1ccccc1OCc1ccccc1 95572674 YYBWQSNREKYEIW-UHFFFAOYSA-N 364.482 5.058 70 1 FKIF Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC(C)C)cn1 217359060 CUXAYNCZWPCEDR-HNNXBMFYSA-N 365.304 5.257 70 1 FKIF CCCCCC[C@@H](C)Nc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217096817 IAZFBLOHYDPEDG-OAHLLOKOSA-N 369.534 5.731 70 1 FKIF CCCCN(CCCC)c1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217096639 XNBLUNGPAPBYNK-UHFFFAOYSA-N 369.534 5.367 70 1 FKIF CC(C)(Cl)[C@@H](Br)CC/C(=C/CCl)CBr 1637298 QSLFLZNDSQCQSX-RDOCRHDPSA-N 366.952 5.108 70 1 FKIF Cc1ccc(-c2cc3[nH]c(N[C@H](C)c4ccccc4)nc(=O)c3s2)cc1 217096789 OVPQLQKPFBBWBJ-CQSZACIVSA-N 361.470 5.133 70 1 FKIF CC(C)(C)c1cc(C(C)(C)C)c(P=C(Cl)Cl)c(C(C)(C)C)c1 73410134 DPPBWVLXJGGWOP-UHFFFAOYSA-N 359.321 6.716 70 1 FKIF O=S(=O)(F)CCCCCCCc1ccc(OCc2ccccc2)cc1 95579905 LDYCDYVYRFNQEB-UHFFFAOYSA-N 364.482 5.058 70 1 FKIF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCCS(=O)(=O)F 169345181 FUMBQHYWMFCKTB-AVHBIOJASA-N 356.547 6.431 70 1 FKIF Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC(C)C)cn1 217359144 CUXAYNCZWPCEDR-OAHLLOKOSA-N 365.304 5.257 70 1 FKIF Cc1ccc(-c2cc3[nH]c(N[C@@H](C)c4ccccc4)nc(=O)c3s2)cc1 217096770 OVPQLQKPFBBWBJ-AWEZNQCLSA-N 361.470 5.133 70 1 FKIF Br[C@H]1c2ccccc2C=Cc2ccccc2[C@@H]1Br 97971493 SMCMCCLYQZTDDK-HOTGVXAUSA-N 364.080 5.743 70 1 FKIF biogenic O=S(=O)(F)CCCCCCCc1cccc(OCc2ccccc2)c1 95573818 CEOCDYLHZFETSF-UHFFFAOYSA-N 364.482 5.058 70 1 FKIF Br[C@@H]1c2ccccc2C=Cc2ccccc2[C@H]1Br 104594095 SMCMCCLYQZTDDK-HZPDHXFCSA-N 364.080 5.743 70 1 FKIF biogenic CC(C)(Cl)[C@H](Br)CC/C(=C/CCl)CBr 1637296 QSLFLZNDSQCQSX-BZJXQOFCSA-N 366.952 5.108 70 1 FKIF