smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	139865993	DKXNBNKWCZZMJT-VBEOFISCSA-N	342.297	-5.555	30	30	EAEC	
CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12	102207625	NWIBSHFKIJFRCO-CDOIZDJWSA-N	334.332	-1.651	30	30	EAEC	biogenic,in-vitro
O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)(O)OP(=O)(O)O	95936501	STDWHPYQLDCNBQ-SLPGGIOYSA-N	340.114	-3.145	30	30	EAEC	
O=C[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)[C@H](O)[C@@H](O)[C@@H](O)CO	146877520	QUTFFEUUGHUPQC-APYZPAHBSA-N	342.264	-1.815	30	30	EAEC	
CC(=O)[C@H](O)[C@@H](O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@@](O)(C=O)C(C)=O	100048003	RZBDNMLCXKERMD-RYMFRWLXSA-N	348.304	-3.544	30	30	EAEC	
CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@H]12	253618059	NWIBSHFKIJFRCO-HFTGTNRMSA-N	334.332	-1.651	30	30	EAEC	biogenic
O=C(O)C[n+]1ccn(CC(O)(P(=O)(O)O)P(=O)(O)O)c1	220905198	QQXLOGZAEJWQJK-UHFFFAOYSA-O	331.134	-2.138	30	30	EAEC	in-vitro
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O	4098646	VSMBLBOUQJNJIL-JJXSEGSLSA-N	336.296	-1.076	30	30	EAEC	in-vitro
Cn1c(=O)c2c(nc(NN=C3C(=O)NC(=O)NC3=O)n2C)n(C)c1=O	8636974	BETBIKCJYWBSKI-UHFFFAOYSA-N	348.279	-2.895	30	30	EAEC	
O=C[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)[C@H](O)[C@H](O)[C@@H](O)CO	255997989	QUTFFEUUGHUPQC-LAEUOODISA-N	342.264	-1.815	30	30	EAEC	
O=S(=O)(O)O/N=C(\O)C[C@@]1(S)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	96332246	PYICKJBKTAJFCC-VDUCJHRSSA-N	349.339	-2.833	30	30	EAEC	
CNC(=O)/C(C#N)=c1\[nH]/c(=C2\C(=O)NC(=O)N=C2O)c2ccccc12	38634163	ACUPDOXCXXCPIX-LUAWRHEFSA-N	337.295	-1.055	30	30	EAEC	
CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12	253618058	NWIBSHFKIJFRCO-GAGZNLGBSA-N	334.332	-1.651	30	30	EAEC	biogenic
C[C@@H]1O[C@H](O[C@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	299754621	BQEBASLZIGFWEU-ISNWGLCSSA-N	326.298	-4.527	30	30	EAEC	
CS(=O)(=O)OC[C@H]1OS(=O)(=O)O[C@@H]1COS(C)(=O)=O	149705658	SJWKJWVFMFJCBS-PHDIDXHHSA-N	340.353	-2.032	30	30	EAEC	
O=C(CCC(=O)ON1C(=O)CCC1=O)OCCN1C(=O)C=CC1=O	2564847	HLYQBBSYKLLKAF-UHFFFAOYSA-N	338.272	-1.158	30	30	EAEC	
N[C@@]1([C@H]2OS(=O)(=O)OC[C@@H](O)[C@H]2O)OS(=O)(=O)OC1=O	1070005930	OVMCUOKQJOOAJI-DFWBMZDPSA-N	335.268	-4.158	30	30	EAEC	
O=C1CC=CC=C1O[C@@H]1C(=O)Oc2c(c(=O)c(=O)c(=O)c2=O)C1=O	263584147	LBWSQXHQWHQKAJ-AWEZNQCLSA-N	330.204	-2.097	30	30	EAEC	
O=C[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)[C@H](O)[C@H](O)[C@H](O)CO	103665428	QUTFFEUUGHUPQC-NTENICJLSA-N	342.264	-1.815	30	30	EAEC	
O=C1CC=CC=C1O[C@H]1C(=O)Oc2c(c(=O)c(=O)c(=O)c2=O)C1=O	263584148	LBWSQXHQWHQKAJ-CQSZACIVSA-N	330.204	-2.097	30	30	EAEC	
C[C@@H]1O[C@@H](O[C@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	95921575	BQEBASLZIGFWEU-PULTWWQVSA-N	326.298	-4.527	30	30	EAEC	
Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O)cc1	5063277	NCJLNPUSKXXYSV-FDYHWXHSSA-N	334.346	-1.657	30	30	EAEC	in-vitro
CC(=O)[C@@H](O)[C@@H](O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@@](O)(C=O)C(C)=O	59895393	RZBDNMLCXKERMD-DHGKCCLASA-N	348.304	-3.544	30	30	EAEC	
O=C[C@H](Nc1ccc([N+](=O)[O-])c2nonc12)[C@H](O)[C@@H](O)[C@H](O)CO	255997988	QUTFFEUUGHUPQC-DRJKFNKXSA-N	342.264	-1.815	30	30	EAEC	
CO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@@H]12	102307326	NWIBSHFKIJFRCO-YNQWDUFBSA-N	334.332	-1.651	30	30	EAEC	biogenic