smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC	196461062	KUJDHYOKKOEQDI-GHMZBOCLSA-N	435.499	-0.463	30	30	IBEC	
O=C(O)CCOCCOCC#Cc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O	1965906110	KZTYSRQJBNPAOM-INIZCTEOSA-N	428.397	-0.053	30	30	IBEC	
C#CCCC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	606235263	PODQGPKRSTUNAT-VINWQNLFSA-N	427.406	-0.401	30	30	IBEC	
CCOc1ccccc1/C=N/Nc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636782	FUQMJTSHRCAXGW-QDOVLLSLSA-N	429.437	-0.135	30	30	IBEC	
COC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC	196461052	KUJDHYOKKOEQDI-WDEREUQCSA-N	435.499	-0.463	30	30	IBEC	
Nc1ncnc2c1nc(N/N=C/c1ccc3c(c1)OCO3)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	8636972	JSYUJLQOWRYIAA-QJEFQHFMSA-N	429.393	-0.805	30	30	IBEC	
O=C(CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ON1C(=O)CCC1=O	100135142	XNUKVHNQJWJDEG-KYBNSWPASA-N	433.454	-0.859	30	30	IBEC	
O=C(O)CCOCCOCC#Cc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O	1965906111	KZTYSRQJBNPAOM-MRXNPFEDSA-N	428.397	-0.053	30	30	IBEC	
C#CCCC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	221150863	PODQGPKRSTUNAT-BHNDVYRESA-N	427.406	-0.401	30	30	IBEC	
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)[C@H]2SC1	205479321	ZDMZWMRTKADQNC-LMCFTXQDSA-N	441.447	-0.711	30	30	IBEC	
C#CCCC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	221150805	PODQGPKRSTUNAT-LZBKUMLDSA-N	427.406	-0.401	30	30	IBEC	
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12	4215546	JCSGAUKCDAVARS-SOUFLCLCSA-N	430.413	-0.389	30	30	IBEC	in-man
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](N(OC(C)=O)C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	585139087	OXVAOHAXVTZPPA-UYTYNIKBSA-N	447.393	-0.604	30	30	IBEC	
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(N)c4C[C@H]3C[C@@H]12	22057128	UNWRIWATQPEZLL-UVPAEMEASA-N	429.429	-0.297	30	30	IBEC	in-vitro
CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)ccc(N)c4C[C@@H]3C[C@H]12	575346849	UNWRIWATQPEZLL-IKFMWCPTSA-N	429.429	-0.297	30	30	IBEC	in-vitro
COc1cc(/C=N/Nc2nc3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)ccc1O	8636777	BQDDVTMGVMIQMR-WOTCEWKYSA-N	431.409	-0.820	30	30	IBEC	
CC(=O)OC[C@@H](OC(C)=O)[C@@H]1O[C@@H](N(OC(C)=O)C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	585139086	OXVAOHAXVTZPPA-DISONHOPSA-N	447.393	-0.604	30	30	IBEC	
C#CCCC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	202857965	PODQGPKRSTUNAT-QFACEVIFSA-N	427.406	-0.401	30	30	IBEC	
CC(=O)OC[C@H]1O[C@@H](N(OC(C)=O)C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	223704944	YXQZXMNFNOMHIH-UYTYNIKBSA-N	447.393	-0.604	30	30	IBEC	
CC(=O)OC[C@H]1O[C@@H](N(OC(C)=O)C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	223704798	YXQZXMNFNOMHIH-DISONHOPSA-N	447.393	-0.604	30	30	IBEC	
COC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC	196461040	KUJDHYOKKOEQDI-MNOVXSKESA-N	435.499	-0.463	30	30	IBEC	
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	100303069	NWXMGUDVXFXRIG-WESIUVDSSA-N	444.440	-0.371	30	30	IBEC	in-vitro