smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](Cl)c1ccccc1-c1ccccc1 165399186 AVTXLYXSTLJUEH-HNNXBMFYSA-N 230.738 5.044 70 10 BKIE ClCCCCC(C1CCCC1)C1CCCC1 141558553 UQBLMFBSPZDEMZ-UHFFFAOYSA-N 242.834 5.392 70 10 BKIE C[Si](Cl)(C1CCCCC1)C1CCCCC1 199920583 JBCVMEFOAJWNSE-UHFFFAOYSA-N 244.882 5.469 70 10 BKIE CCCCCCCCCC=C[B-](F)(F)F 1924013917 RFSPAZGJKPXCEL-UHFFFAOYSA-N 221.095 5.070 70 10 BKIE CCB(CC)/C(=C/C(C)(C)C)[Si](C)(C)Cl 205364052 IUFQRESFRCOIBD-KHPPLWFESA-N 244.691 5.016 70 10 BKIE CCCCCCCCC(C)=C[B-](F)(F)F 2210076228 OHMOKXCXHLVABD-UHFFFAOYSA-N 221.095 5.070 70 10 BKIE C=CCCCCCC[C@@H](Br)CCC 141642508 BWGSXSUIGUNVEI-LBPRGKRZSA-N 247.220 5.077 70 10 BKIE C=CCCCCCC[C@H](Br)CCC 141642306 BWGSXSUIGUNVEI-GFCCVEGCSA-N 247.220 5.077 70 10 BKIE C=CCCCCCCCCC[B-](F)(F)F 584646781 DEYKOPLNOFRIKW-UHFFFAOYSA-N 221.095 5.141 70 10 BKIE CC(C)(C)C1CCC([C@H]2C[C@@H]2[B-](F)(F)F)CC1 1984463174 XFOPGLJYDCCWRV-HCWSGVFWSA-N 247.133 5.076 70 10 BKIE CC(C)[C@@H](C)B(C1CCCCC1)C1CCCCC1 196471092 SCFLUHWBLJJRRY-OAHLLOKOSA-N 248.263 6.196 70 10 BKIE C1CCC(B(C2CCCC2)C2CCCC2)C1 196012768 HKCNGGFCZHLNJL-UHFFFAOYSA-N 218.193 5.314 70 10 BKIE CCCCCCB(Cl)C(C)(C)C(C)C 196321692 BBPWUPLISNVKPQ-UHFFFAOYSA-N 216.605 5.233 70 10 BKIE C=CCCCCC[C@H](Br)CCCC 141078372 IRGHDLGGAMPUCR-GFCCVEGCSA-N 247.220 5.077 70 10 BKIE CCC/C=C/B([C@@H](C)C(C)C)[C@H](C)C(C)C 206919274 PWZVVPMHFRHZLD-LDNYQMMUSA-N 222.225 5.469 70 10 BKIE CCCCCB(CCCCC)CCCCC 196494508 LFXWJXWPMAPFOU-UHFFFAOYSA-N 224.241 6.052 70 10 BKIE CCB(CC)C1CCCCCCCCCCC1 205259409 KWSWOAIHEGYCQQ-UHFFFAOYSA-N 236.252 6.196 70 10 BKIE C/C=C/CCCCC[C@@H](Br)CCC 148272266 KVZMPCOOTOIWJW-PYEVWLCESA-N 247.220 5.077 70 10 BKIE CC(C)(C)C1CCC([C@@H]2C[C@H]2[B-](F)(F)F)CC1 1895771237 XFOPGLJYDCCWRV-MMVSWEMESA-N 247.133 5.076 70 10 BKIE CC[C@@H](C)c1ccc(N[C@H]2CCC[C@@H](C)C2)cc1 218049230 XCSDAOYKHLYGDS-CPUCHLNUSA-N 245.410 5.191 70 10 BKIE C=CCCCCCCCC[C@H](C)Br 137455195 JBNIGAHHUFPRBR-LBPRGKRZSA-N 247.220 5.077 70 10 BKIE CC(C)CCC[C@H](C)CCC[C@H](C)Cl 148292167 SRLNDHQCQMKRKL-STQMWFEESA-N 218.812 5.246 70 10 BKIE CC(C)(C)C1CCC([C@@H]2C[C@@H]2[B-](F)(F)F)CC1 1984463176 XFOPGLJYDCCWRV-QQFIATSDSA-N 247.133 5.076 70 10 BKIE CC(C)CCC[C@@H](C)CCC[C@@H](C)Cl 148291519 SRLNDHQCQMKRKL-CHWSQXEVSA-N 218.812 5.246 70 10 BKIE CC(C)CCCCCCCC(=O)c1ccccc1 218381624 NWMOWTHLIXLVOY-UHFFFAOYSA-N 246.394 5.256 70 10 BKIE CC[C@H](C)c1ccc(N[C@H]2CCC[C@@H](C)C2)cc1 218049312 XCSDAOYKHLYGDS-KEYYUXOJSA-N 245.410 5.191 70 10 BKIE CCCCCCCCCCCC[B-](F)(F)F 199490190 KBNSLVSZCYOERD-UHFFFAOYSA-N 237.138 5.755 70 10 BKIE F[B-](F)(F)C=C1CCC2(CCCCCC2)CC1 1986911353 GXSFEUAXACTUHE-UHFFFAOYSA-N 245.117 5.214 70 10 BKIE CC(C)[C@H](C)B(/C=C/C(C)(C)C)[C@H](C)C(C)C 205097145 LUZWDUHJVRKNBT-LDNYQMMUSA-N 236.252 5.715 70 10 BKIE CC(C)(C)C1CCC([C@H]2C[C@H]2[B-](F)(F)F)CC1 1984463175 XFOPGLJYDCCWRV-KIDURHIOSA-N 247.133 5.076 70 10 BKIE CC(C)CCC[C@@H](C)CCC[C@H](C)Cl 148291921 SRLNDHQCQMKRKL-OLZOCXBDSA-N 218.812 5.246 70 10 BKIE CC[C@H](C)c1ccc(N[C@@H](C)[C@H](C)CC)cc1 218048720 BZGQWAJBTDAQLO-RDBSUJKOSA-N 233.399 5.047 70 10 BKIE CC(C)CCC[C@H](C)CCC[C@@H](C)Cl 148291718 SRLNDHQCQMKRKL-QWHCGFSZSA-N 218.812 5.246 70 10 BKIE CCCCCC[Si](Cl)(Cl)CCCC 198364369 JHCPWEWGWBCWSC-UHFFFAOYSA-N 241.278 5.287 70 10 BKIE CCCCCCB([C@@H](C)C(C)C)[C@@H](C)C(C)C 196321657 CLFPXYMPEZAXIY-HOTGVXAUSA-N 238.268 6.154 70 10 BKIE CCC[C@H](Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 148460717 GGDXLQHKHHHFTE-DGAVXFQQSA-N 228.807 5.000 70 10 BKIE C1CCC(CB2C3CCCC2CCC3)CC1 196760215 DISLMHOTCUSSKR-UHFFFAOYSA-N 218.193 5.170 70 10 BKIE CCCC/C=C/B([C@H](C)C(C)C)[C@H](C)C(C)C 195836643 CWUQHJRQHOYUCO-NFGWICIOSA-N 236.252 5.859 70 10 BKIE CCCC/C=C/B([C@@H](C)C(C)C)[C@H](C)C(C)C 195836640 CWUQHJRQHOYUCO-FTXCUYTISA-N 236.252 5.859 70 10 BKIE CC[C@H](C)c1ccc(N[C@H](C)[C@H](C)CC)cc1 218048640 BZGQWAJBTDAQLO-HZSPNIEDSA-N 233.399 5.047 70 10 BKIE CC[C@@H](Cl)c1ccccc1-c1ccccc1 165399316 AVTXLYXSTLJUEH-OAHLLOKOSA-N 230.738 5.044 70 10 BKIE F[B-](F)(F)C=C1CCCCCCCCCCC1 1912950714 VXZUOHPATDYJDW-UHFFFAOYSA-N 247.133 5.604 70 10 BKIE CCCCCCB([C@H](C)C(C)C)[C@H](C)C(C)C 196321673 CLFPXYMPEZAXIY-HZPDHXFCSA-N 238.268 6.154 70 10 BKIE CC[C@@H](C)c1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1 218049066 XCSDAOYKHLYGDS-CKEIUWERSA-N 245.410 5.191 70 10 BKIE C=CCCCCC[C@@H](Br)CCCC 141078552 IRGHDLGGAMPUCR-LBPRGKRZSA-N 247.220 5.077 70 10 BKIE CCCCCCB([C@@H](C)C(C)C)[C@H](C)C(C)C 196321666 CLFPXYMPEZAXIY-IYBDPMFKSA-N 238.268 6.154 70 10 BKIE CCC/C=C\B([C@@H](C)C(C)C)[C@@H](C)C(C)C 206919148 PWZVVPMHFRHZLD-PBARLCFESA-N 222.225 5.469 70 10 BKIE CCCCCC[Si](C)(Cl)CCCCC 198364406 GFEPNYZIXIHRBH-UHFFFAOYSA-N 234.887 5.571 70 10 BKIE CCC/C=C/B([C@@H](C)C(C)C)[C@@H](C)C(C)C 206919189 PWZVVPMHFRHZLD-BWLFODOESA-N 222.225 5.469 70 10 BKIE CCCC/C=C/B([C@@H](C)C(C)C)[C@@H](C)C(C)C 195836638 CWUQHJRQHOYUCO-WFPWZJHXSA-N 236.252 5.859 70 10 BKIE CC(C)[C@H](C)B(/C=C/C(C)(C)C)[C@@H](C)C(C)C 205097114 LUZWDUHJVRKNBT-BWLFODOESA-N 236.252 5.715 70 10 BKIE CCCC(CCC)CCCCCBr 113537838 RMVZXYKUOFJPNV-UHFFFAOYSA-N 249.236 5.158 70 10 BKIE CC[C@H](C)c1ccc(N[C@@H]2CCC[C@@H](C)C2)cc1 218049150 XCSDAOYKHLYGDS-JKIFEVAISA-N 245.410 5.191 70 10 BKIE CCCCB(CCCC)C(CCCC)=C(F)F 196519615 MSJSUTCVKLACBF-UHFFFAOYSA-N 244.178 5.961 70 10 BKIE C=CCCCCCCCC[C@@H](C)Br 137455273 JBNIGAHHUFPRBR-GFCCVEGCSA-N 247.220 5.077 70 10 BKIE FCCCCCCCCCCCCCCl 1847558 UIOQBFNDVYPNLI-UHFFFAOYSA-N 236.802 5.486 70 10 BKIE C/C=C/CCCCC[C@H](Br)CCC 148272068 KVZMPCOOTOIWJW-OGOUPESXSA-N 247.220 5.077 70 10 BKIE CCB(CC)/C(=C\C(C)(C)C)[Si](C)(C)Cl 205364038 IUFQRESFRCOIBD-ZHACJKMWSA-N 244.691 5.016 70 10 BKIE CCC/C=C\B([C@@H](C)C(C)C)[C@H](C)C(C)C 206919228 PWZVVPMHFRHZLD-TXFCTECJSA-N 222.225 5.469 70 10 BKIE CC(C)[C@H](C)B(C1CCCCC1)C1CCCCC1 196471085 SCFLUHWBLJJRRY-HNNXBMFYSA-N 248.263 6.196 70 10 BKIE C=CCCCCCCCCCCCCl 145292978 OFFCZWLUIYUPAS-UHFFFAOYSA-N 216.796 5.312 70 10 BKIE