smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](F)(COCOCC(=O)O)C(C)(C)C 210639736 KXWLRSLPGBBBEE-UHFFFAOYSA-N 280.412 3.116 70 1 CGIF O=S(=O)(F)/C=C/c1cc(Cl)cc(Cl)c1 1857550888 GERHZDVBVMJVNB-OWOJBTEDSA-N 255.097 3.263 70 1 CGIF O=Cc1cc(OCc2ccccc2)ccc1[B-](F)(F)F 195450116 BBZOUNATFMRTTR-UHFFFAOYSA-N 279.046 3.133 70 3 CGIF O=S(=O)(F)CCCCCCCc1ccc(O)cc1 95575876 DWVKNBPHGUTQCN-UHFFFAOYSA-N 274.357 3.185 70 1 CGIF C=CB(Oc1cccc2cccnc12)c1ccccc1 195234001 AFSOZCANEJRTLH-UHFFFAOYSA-N 259.117 3.238 70 1 CGIF CC(C)(C)[Si](F)(CCOCCOCCN)C(C)(C)C 210639781 AGNFFVAKZXCSKB-UHFFFAOYSA-N 293.499 3.494 70 1 CGIF CCCCNC(=O)Nc1cc2n[nH]c(C3CCC3)c2cn1 218529615 TVOJRZXDRHXRTB-UHFFFAOYSA-N 287.367 3.147 70 1 CGIF O=S(=O)(F)CCCCCCCc1ccccc1O 95572679 PBWDFIOEUOQKKZ-UHFFFAOYSA-N 274.357 3.185 70 1 CGIF O=C(N[C@H](B(F)F)c1ccccc1)c1ccccc1 169973907 LEYOVCKTEFESLL-ZDUSSCGKSA-N 259.064 3.124 70 1 CGIF CC(C)CCc1cc(O)c(-c2ccccc2)c(=O)[nH]1 217685091 LVFXBXLSEGPHNN-UHFFFAOYSA-N 257.333 3.336 70 1 CGIF C/C=C1\C[n+]2ccc3c([nH]c4ccccc43)c2C[C@@H]1CCO 218390368 ICJZOHPEKMAUGQ-AGIOQNCLSA-O 293.390 3.110 70 1 CGIF Cc1cc(/C=C/S(=O)(=O)F)ccc1Br 1857556313 DNABEKLAJRIMRH-SNAWJCMRSA-N 279.130 3.028 70 1 CGIF O=S(=O)(F)CCCCCCCc1cccc(O)c1 95578119 FHQZNKXZVHFZLB-UHFFFAOYSA-N 274.357 3.185 70 1 CGIF C=CB(Oc1cccc2cccnc12)c1cccc(F)c1 195184274 SFWMDIFLSZPOKW-UHFFFAOYSA-N 277.107 3.377 70 1 CGIF CCn1c(Cc2c[nH]c3ccc(OC)cc23)n[nH]c1=S 218661129 CDVYKIKHQZXGIL-UHFFFAOYSA-N 288.376 3.041 70 1 CGIF O=S(=O)(F)CCCCCCCc1ccccc1 95575071 SRLSOPMAXAYTMI-UHFFFAOYSA-N 258.358 3.479 70 1 CGIF O=C(N[C@@H](B(F)F)c1ccccc1)c1ccccc1 169973904 LEYOVCKTEFESLL-CYBMUJFWSA-N 259.064 3.124 70 1 CGIF COc1ccc2[nH]cc(CCc3ncc(C)o3)c2c1 218713925 ASCRDPDMLVIBCT-UHFFFAOYSA-N 256.305 3.258 70 1 CGIF O=S(=O)(F)/C=C/C=C/c1ccc(Br)cc1 1857588560 OKTYKMHZVNGYOJ-OWEXKTHJSA-N 291.141 3.275 70 1 CGIF