smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C/C=C(/C[C@@H](O)N(C=O)Cc1cnc(C)nc1N)SS/C(=C/C)C[C@H](O)N(C=O)Cc1cnc(C)nc1N	72099790	KQJUJSRODPMRFH-IEJGVKEESA-N	562.722	2.271	50	30	KEGC	
C/C=C(/C[C@@H](O)N(C=O)Cc1cnc(C)nc1N)SS/C(=C/C)C[C@@H](O)N(C=O)Cc1cnc(C)nc1N	72099792	KQJUJSRODPMRFH-VFDAIJESSA-N	562.722	2.271	50	30	KEGC	
CC1(C)O[C@@H]2[C@@H](Br)[C@H](O)[C@H](OCc3ccccc3)[C@@H](O[C@@H]3[C@H](O)[C@@H]4OC(C)(C)O[C@@H]4[C@H](Br)[C@@H]3O)[C@@H]2O1	2265351489	CAOIDDNTBLOWHI-SCQLZGQTSA-N	638.346	2.003	50	30	KEGC	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](O)[C@@H](O[C@H]1[C@@H]3OC(C)(C)O[C@@H]3[C@@H](Br)[C@H](O)[C@@H]1OCc1ccccc1)[C@@H](O)[C@@H]2Br	2265351486	CAOIDDNTBLOWHI-DNMPENLKSA-N	638.346	2.003	50	30	KEGC	
C[Si](C)(CC[Si]12OCCN(CCO1)CCO2)c1ccc([Si](C)(C)CC[Si]23OCCN(CCO2)CCO3)s1	196557180	XIEVMNVJPPHVOH-UHFFFAOYSA-N	603.051	2.215	50	30	KEGC	
Cn1nc(-c2ccc(S(=O)(=O)NCC(=O)NNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1C(F)(F)F	3120116	IRJDUZCKJFADRU-UHFFFAOYSA-N	557.985	2.109	50	30	KEGC	
CC1(C)O[C@@H]2[C@H](O1)[C@H](Br)[C@H](O)[C@H](OCc1ccccc1)[C@H]2O[C@@H]1[C@H](O)[C@@H]2OC(C)(C)O[C@@H]2[C@H](Br)[C@@H]1O	2265351488	CAOIDDNTBLOWHI-QCEAQZSXSA-N	638.346	2.003	50	30	KEGC	
Cc1ccc(-n2c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c2=O)cc1N=C=O	111911587	SMCGSNOGLRAIMT-UHFFFAOYSA-N	510.551	2.229	50	30	KEGC	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](O)[C@@H](O[C@H]1[C@@H]3OC(C)(C)O[C@@H]3[C@H](Br)[C@H](O)[C@@H]1OCc1ccccc1)[C@@H](O)[C@@H]2Br	2265351487	CAOIDDNTBLOWHI-OFFZDNTJSA-N	638.346	2.003	50	30	KEGC	
CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])(OCC)OCC	1857524155	YLKDLLDVUGVDPN-UHFFFAOYSA-N	538.715	2.325	50	30	KEGC	
C/C=C(/C[C@H](O)N(C=O)Cc1cnc(C)nc1N)SS/C(=C/C)C[C@@H](O)N(C=O)Cc1cnc(C)nc1N	72099788	KQJUJSRODPMRFH-MOVMHLCMSA-N	562.722	2.271	50	30	KEGC	
CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3ccc(N(CCCl)CCCl)cc3)cn2C)cn1C	3944553	DKABPCCFZSSDAH-UHFFFAOYSA-N	578.505	2.234	50	30	KEGC	
CNN(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1	201469015	UFWZVNCGMQXNRM-FYBSXPHGSA-N	532.689	2.377	50	30	KEGC	
COc1ccc(S(=O)(=O)NNC(=O)Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1OC	1044761	CKVUKSJBNMUIAM-UHFFFAOYSA-N	554.429	2.405	50	30	KEGC	
C/C=C(/C[C@H](O)N(C=O)Cc1cnc(C)nc1N)SS/C(=C/C)C[C@H](O)N(C=O)Cc1cnc(C)nc1N	72099787	KQJUJSRODPMRFH-RZZWKURRSA-N	562.722	2.271	50	30	KEGC	
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(C)(=O)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1	111401380	AMMIWIHTJFNQDK-KRWDZBQOSA-N	517.557	2.335	50	30	KEGC	
CC(C)[Si](OCCCCCN1C(=O)C=CC1=O)(OC[C@H]1O[C@@H](n2ccc(=N)nc2O)C(F)(F)[C@@H]1O)C(C)C	1857524141	UANWPSOXUYWBLM-ZPMCFJSWSA-N	558.655	2.352	50	30	KEGC