smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)[C@@]12BBBBBBBBB[C@H]1B2 227529440 ZKXKXLRIXXIMPC-RFZPGFLSSA-N 186.319 -4.783 70 30 AAIC COC([SiH3])OC 207719981 XYYQWMDBQFSCPB-UHFFFAOYSA-N 106.197 -1.072 70 30 AAIC CC(C)[C@@]12BBBBBBBBB[C@@H]1B2 227529464 ZKXKXLRIXXIMPC-CRCLSJGQSA-N 186.319 -4.783 70 30 AAIC B1BBB[C@H]2BB[C@@H](BBB1)B2 227515234 JKYPVMIWOAAVGH-XIXRPRMCSA-N 144.238 -5.809 70 30 AAIC NB1BBBBBBBB[C@@H]2B[C@H]12 227530156 JBXJRPAYFRUGOP-NHYDCYSISA-N 159.253 -6.132 70 30 AAIC CN(C)C[SiH](O)O 204931651 XVOGMRBNKOJXAJ-UHFFFAOYSA-N 121.212 -1.708 70 30 AAIC [SiH3]C1([SiH3])[C@H]2CC[C@H]1N=N2 238678868 CGOOIEIIHIKVGQ-QWWZWVQMSA-N 156.337 -1.170 70 30 AAIC NB1BBBBBBBB[C@H]2B[C@@H]12 227530147 JBXJRPAYFRUGOP-NCGGTJAESA-N 159.253 -6.132 70 30 AAIC CC(=O)N[SiH3] 201178805 BTQLZQAVGBUMOG-UHFFFAOYSA-N 89.170 -1.597 70 30 AAIC O=C=N[SiH3] 195754915 BUZRAOJSFRKWPD-UHFFFAOYSA-N 73.127 -1.397 70 30 AAIC C1[SiH2]C[SiH2]C[SiH2]1 195769647 LISDBLOKKWTHNH-UHFFFAOYSA-N 132.387 -1.366 70 30 AAIC NB1BBBBBBBB[C@@H]2B[C@@H]12 227530143 JBXJRPAYFRUGOP-LWMBPPNESA-N 159.253 -6.132 70 30 AAIC NB1BBBBBBBB[C@H]2B[C@H]12 227530162 JBXJRPAYFRUGOP-JCYAYHJZSA-N 159.253 -6.132 70 30 AAIC O=C1OB(O)c2cccnc21 199025121 WAJGLXIMLFAUSO-UHFFFAOYSA-N 148.914 -1.061 70 30 AAIC CC(C)[C@]12BBBBBBBBB[C@@H]1B2 227529451 ZKXKXLRIXXIMPC-WHFBIAKZSA-N 186.319 -4.783 70 30 AAIC CC(C)[C@]12BBBBBBBBB[C@H]1B2 227529431 ZKXKXLRIXXIMPC-UHNVWZDZSA-N 186.319 -4.783 70 30 AAIC B1BBBBB/C=C/BBBB1 215820223 PWHTZDUTEHXWHV-OWOJBTEDSA-N 144.238 -5.929 70 30 AAIC