smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC/C=C\S(F)(F)(F)(F)F 885164154 LWKOCACMNSLNJZ-ARJAWSKDSA-N 182.157 4.209 50 40 AIGB C=C(C)CCCCCCCCl 2567411 BKSRRDDOTAXJBI-UHFFFAOYSA-N 174.715 4.142 50 40 AIGB C[C@@H](Cl)c1ccc(C(C)(C)C)cc1 49701517 CVOBIOVONMMYGZ-SECBINFHSA-N 196.721 4.284 50 40 AIGB in-vitro CCCCCCP(Cl)Cl 113965711 VSIXVJCCVXXRCW-UHFFFAOYSA-N 187.050 4.356 50 40 AIGB C=C(Cl)CCCCCCCCl 2567405 YOSLDMVBPIVEPQ-UHFFFAOYSA-N 195.133 4.318 50 40 AIGB C[C@@H](Cl)c1cccc2ccccc12 57332878 LVZBNQAITQCBEC-SECBINFHSA-N 190.673 4.140 50 40 AIGB in-vitro ClC1CCCCCCCCC1 104080843 BQFFCBZWAKSYCO-UHFFFAOYSA-N 174.715 4.118 50 40 AIGB C[C@H](Cl)c1ccc(C(C)(C)C)cc1 49701513 CVOBIOVONMMYGZ-VIFPVBQESA-N 196.721 4.284 50 40 AIGB in-vitro CC(C)CCC[C@@H](C)CCCl 2046509 IFTYHSVPPGZJQG-SNVBAGLBSA-N 176.731 4.078 50 40 AIGB CCCCCCC[C@@H](Cl)CCl 2539156 SAWALGNBNOPQEB-SECBINFHSA-N 197.149 4.193 50 40 AIGB CCP(Cl)(Cl)(Cl)CC 104375587 NVOBROMNCLKBMK-UHFFFAOYSA-N 195.457 4.041 50 40 AIGB CCCCCCC[C@H](Cl)CCl 100201687 SAWALGNBNOPQEB-VIFPVBQESA-N 197.149 4.193 50 40 AIGB CCCCS(F)(F)(F)(F)F 627281326 YFTKAHKQNCDZAB-UHFFFAOYSA-N 184.173 4.085 50 40 AIGB CC/C=C/S(F)(F)(F)(F)F 885164155 LWKOCACMNSLNJZ-ONEGZZNKSA-N 182.157 4.209 50 40 AIGB CC(C)CCC[C@H](C)CCCl 1561959 IFTYHSVPPGZJQG-JTQLQIEISA-N 176.731 4.078 50 40 AIGB C[C@H](Cl)c1cccc2ccccc12 57332875 LVZBNQAITQCBEC-VIFPVBQESA-N 190.673 4.140 50 40 AIGB in-vitro