smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCCC[C@@H](C)CC#N 104371627 ZKCZXPOYIUVRIV-CYBMUJFWSA-N 195.350 4.677 30 30 AJEC CCC#CCCCCCCCCCC 111346028 DWWMJIDVLGUCDE-UHFFFAOYSA-N 194.362 4.931 30 30 AJEC C=CCC/C=C(\C)CCC=C(C)C 88189369 VHIVJUNIYOCPSI-JLHYYAGUSA-N 178.319 4.645 30 30 AJEC C=C(CCCC)CCCCCC 116966797 MEUHELKJCGXSBF-UHFFFAOYSA-N 168.324 4.703 30 30 AJEC CCCCCCCCCC[C@@H](C)C#N 100301536 ADJWCDXUXUVWNV-CYBMUJFWSA-N 195.350 4.677 30 30 AJEC C=C(C)[C@@H]1C(C)(C)C=C(C)CC1(C)C 71789329 GXATYSZBKVMODG-GFCCVEGCSA-N 192.346 4.581 30 30 AJEC C=CCC[C@@H](C)CCCCCC 111349392 HNWYNXVFBLSLQE-GFCCVEGCSA-N 168.324 4.559 30 30 AJEC CC/C=C\CCCCCCCC 103839699 WLTSXAIICPDFKI-ALCCZGGFSA-N 168.324 4.703 30 30 AJEC C=C1C/C=C/C(C)(C)C/C=C(\C)CC1 57988988 NFHLNYDFUOUFPZ-UIJSIPAGSA-N 190.330 4.645 30 30 AJEC CCC/C=C\CCCCCCC 79185710 PHCKFVVLVZFFLU-CLFYSBASSA-N 168.324 4.703 30 30 AJEC CCCCCCCCCC[C@H](C)C#N 100301538 ADJWCDXUXUVWNV-ZDUSSCGKSA-N 195.350 4.677 30 30 AJEC C=C(C)[C@H]1C(C)(C)C=C(C)CC1(C)C 71789328 GXATYSZBKVMODG-LBPRGKRZSA-N 192.346 4.581 30 30 AJEC CCCCCCCCC[C@H](C)CC#N 2534700 ZKCZXPOYIUVRIV-ZDUSSCGKSA-N 195.350 4.677 30 30 AJEC CCCCCC/C=C/[C@H](C)CC 117762742 FOCAIPNHDGQZST-HCRIHEDKSA-N 168.324 4.559 30 30 AJEC C=CCC[C@H](C)CCCCCC 111349389 HNWYNXVFBLSLQE-LBPRGKRZSA-N 168.324 4.559 30 30 AJEC [CH2-]CCCCCCCCCCC 59228542 ZVRMGBQIHDHAJL-UHFFFAOYSA-N 169.332 4.741 30 30 AJEC CCCCCC/C=C/[C@@H](C)CC 117762739 FOCAIPNHDGQZST-IIANPFDCSA-N 168.324 4.559 30 30 AJEC CCCCCC(C)(C#N)CCCCC 1755581 DBCOJMXZAWQKQU-UHFFFAOYSA-N 195.350 4.677 30 30 AJEC