smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)C[C@@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	217802985	IAVIOSIECRAVBW-CROMWVBPSA-N	453.451	0.882	70	40	JCIB	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1OC	216841405	UARUKZDRCCHVMA-UHFFFAOYSA-N	482.584	0.792	70	40	JCIB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	216788622	HVFHPMJDNCOYFL-UHFFFAOYSA-N	468.557	0.531	70	40	JCIB	
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1	216828794	XWXUEYXQNLWFDQ-MRXNPFEDSA-N	458.606	0.623	70	40	JCIB	
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1	216828828	XWXUEYXQNLWFDQ-INIZCTEOSA-N	458.606	0.623	70	40	JCIB	
CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)cc2)CC1	216834770	KKQAICROTRGHHZ-UHFFFAOYSA-N	496.611	0.891	70	40	JCIB	
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1	216785612	WFMICOUMKDXZQQ-UHFFFAOYSA-N	468.557	0.531	70	40	JCIB	
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1	216791750	SJMGYHXPLDGCJN-UHFFFAOYSA-N	467.573	0.246	70	40	JCIB	
COC(=O)C[C@]12C(=O)NCCN1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	217803065	IAVIOSIECRAVBW-GBPOLFSSSA-N	453.451	0.882	70	40	JCIB	
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CCN(C)CC1	216794881	YFDCJARCVFVPHP-UHFFFAOYSA-N	481.600	0.636	70	40	JCIB	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1	216806950	UOYCYFQXQQCDIF-UHFFFAOYSA-N	496.611	0.891	70	40	JCIB	
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	217360148	GWCQPUMHZWNQBC-PFKOEMKTSA-N	486.477	0.919	70	40	JCIB	
CCOc1cc(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2c1	217357027	PHTZWFITMNFQCB-LDBVRRDLSA-N	460.435	0.743	70	40	JCIB	
COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@@H]1c1ccc2c(c1)OCO2	217659725	CWUBYUVPEPMVTM-YXTQBTIXSA-N	452.456	0.834	70	40	JCIB