smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	575418322	IKYQBZPCZQHNKI-DKLJTFSYSA-N	460.347	-1.078	10	30	JACC	
Nc1ccc(C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1	26495045	FEZWPBDUNJUSES-INIZCTEOSA-N	498.489	-1.491	10	30	JACC	in-vitro
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	575418325	IKYQBZPCZQHNKI-YXZMJPADSA-N	460.347	-1.078	10	30	JACC	
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	575418323	IKYQBZPCZQHNKI-NPGRCNIMSA-N	460.347	-1.078	10	30	JACC	
Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)c(O)c(N)c1C2=O	199996503	VDPHVWDILWERRJ-UHFFFAOYSA-N	462.370	-1.058	10	30	JACC	
Nc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1	26495049	FEZWPBDUNJUSES-MRXNPFEDSA-N	498.489	-1.491	10	30	JACC	
O=C(O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	575418324	IKYQBZPCZQHNKI-VPMQLGLMSA-N	460.347	-1.078	10	30	JACC	
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](OCCN=[N+]=[N-])O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O	72099488	BFBRNUJPGYGVRQ-MDYBUHTPSA-N	452.417	-3.919	10	30	JACC