smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	575418430	NUCMFNFBECGZSA-YOESJJQFSA-N	489.437	2.311	10	30	JECC	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	255990858	NUCMFNFBECGZSA-NDYOWHOSSA-N	489.437	2.311	10	30	JECC	
Cc1ccc2nc(-c3ccc(/N=N/[C@H]4C(=O)N=C(NC#N)NC4=O)cc3)sc2c1S(=O)(=O)O	100443763	STSWYQLPKUGPRL-OCEACIFDSA-N	483.491	2.054	10	30	JECC	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O	255990856	NUCMFNFBECGZSA-KVEDYDLGSA-N	489.437	2.311	10	30	JECC	
CCOC(=O)COc1c(OC)cc(/C=C2\SC(N3CCCN(C)CC3)=NC2=O)cc1OC	1616057468	UWEGEELEUXCTSD-AQTBWJFISA-N	463.556	2.254	10	30	JECC	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O	575418431	NUCMFNFBECGZSA-ZONLJJFTSA-N	489.437	2.311	10	30	JECC	
CC(=O)NC1CCC(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)CC1	31494533	XGQGXAZXNGYQRB-UHFFFAOYSA-N	457.508	2.150	10	30	JECC	
Cc1ccc2nc(-c3ccc(/N=N/C4C(=O)NC(=O)NC4=O)cc3)sc2c1S(=O)(=O)O	100492684	APIDSQKETXQPQW-GHVJWSGMSA-N	459.465	2.337	10	30	JECC	
CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1NS(=O)(=O)c1cccc2nonc12	8626496	BJZXNWLRWAZGQR-UHFFFAOYSA-N	495.510	2.251	10	30	JECC	
Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O	31374501	LMWABHKTXVHGLN-UHFFFAOYSA-N	474.472	2.281	10	30	JECC	
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)c(Oc3ccc(S(=O)(=O)O)cc3)c(O)c21	31308504	YCNHRWJJRCWZQZ-UHFFFAOYSA-N	492.439	2.159	10	30	JECC