smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	217952208	FZVPCSBUFROVNU-TZMCWYRMSA-N	459.434	-0.206	70	10	JBIE	
Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)n2)n1	218642909	ZQOSLSWCBHDWJA-UHFFFAOYSA-N	461.490	-0.235	70	10	JBIE	
Cn1nc(N2CCC[C@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)C2)ccc1=O	218643995	QMMSEOBXWNTSCA-INIZCTEOSA-N	450.507	-0.284	70	10	JBIE	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@@H]1OC(C)=O	101179220	OIBDVHSTOUGZTJ-XGFWRYKXSA-N	480.366	-0.064	70	10	JBIE	
O=C(c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218636348	HAWCXYJWNORDPA-UHFFFAOYSA-N	463.433	-0.002	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@@H]1OC(C)=O	101179218	OIBDVHSTOUGZTJ-MQLXINIDSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	72400596	OIBDVHSTOUGZTJ-ZUWCUPBKSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	97973299	OIBDVHSTOUGZTJ-PDWCTOEPSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@@H]1OC(C)=O	101179215	OIBDVHSTOUGZTJ-DHGKCCLASA-N	480.366	-0.064	70	10	JBIE	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](O)[C@@H]1O	44281275	AQZGKOBMIMVGMG-QOFRNUMZSA-N	453.408	-0.457	70	10	JBIE	
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	217952351	FZVPCSBUFROVNU-OCCSQVGLSA-N	459.434	-0.206	70	10	JBIE	
O=C(c1c[nH]c(=O)n(-c2ccccc2F)c1=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	218636458	DXZIAKAVFDBDGW-UHFFFAOYSA-N	463.433	-0.002	70	10	JBIE	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	110339846	OIBDVHSTOUGZTJ-XVIXHAIJSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	106038591	OIBDVHSTOUGZTJ-MEBFFEOJSA-N	480.366	-0.064	70	10	JBIE	
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	217952286	FZVPCSBUFROVNU-GXTWGEPZSA-N	459.434	-0.206	70	10	JBIE	
Cn1nc(N2CCC[C@@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)C2)ccc1=O	218644069	QMMSEOBXWNTSCA-MRXNPFEDSA-N	450.507	-0.284	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	253612415	OIBDVHSTOUGZTJ-HPCHECBXSA-N	480.366	-0.064	70	10	JBIE	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](O)[C@H]1O	44281278	AQZGKOBMIMVGMG-QZDOHJIMSA-N	453.408	-0.457	70	10	JBIE	
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	1083805692	OIBDVHSTOUGZTJ-ITGHMWBKSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@@H]1OC(C)=O	101179213	OIBDVHSTOUGZTJ-RYMFRWLXSA-N	480.366	-0.064	70	10	JBIE	
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H](OC(C)=O)[C@H]1OC(C)=O	110339844	OIBDVHSTOUGZTJ-ODXJTPSBSA-N	480.366	-0.064	70	10	JBIE	
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	217952423	FZVPCSBUFROVNU-JSGCOSHPSA-N	459.434	-0.206	70	10	JBIE