smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@@H]1[C@H](SC[C@H](O)CCl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	252430868	PEYNXWFIAHBILA-BPXZUEPWSA-N	455.913	-0.025	50	50	JBGA	
COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)c1OC	19818159	ACTGXXVLGWCHKY-UFFVCSGVSA-N	457.451	-0.154	50	50	JBGA	
COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@H](C)C(=O)CCl	1775953798	RHGXHACEVXSAHV-SYQHCUMBSA-N	474.942	-0.747	50	50	JBGA	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCOCCOCCCl	245256127	NXJBXBBAOWTFEK-UJMXGEILSA-N	497.925	-0.069	50	50	JBGA	
Cc1ccc(NC(=O)COc2cccc(B(O)O)c2C=O)cc1S(=O)(=O)N1CCOCC1	2325826176	RUBFNEIGOYNTJB-UHFFFAOYSA-N	462.289	-0.474	50	50	JBGA	
COC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	252678309	DNEYYYJYEVJFEB-QGZVFWFLSA-N	452.423	-0.017	50	50	JBGA	
CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H]2[C@H]1NC(=O)N2C[C@H](Br)CBr	1848443953	ARLCHJTZGVKJHS-HRDYMLBCSA-N	498.219	-0.641	50	50	JBGA	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(B(O)O)c3C=O)CC2)cc1	2325825926	IAFOQLTUBASTQN-MRXNPFEDSA-N	460.317	-0.212	50	50	JBGA	
O=C1CC[C@@H](N2C(=O)c3ccc(C(=O)NNC(=O)c4cn5c(n4)CCCC5)cc3C2=O)C(=O)N1	2325897609	AMEMDWIKNHTPCM-OAHLLOKOSA-N	464.438	-0.305	50	50	JBGA	
CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H]2[C@H]1NC(=O)N2C[C@@H](Br)CBr	1848443954	ARLCHJTZGVKJHS-XHNCKOQMSA-N	498.219	-0.641	50	50	JBGA	
NNC(=O)CCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	83254101	DLMSZDYSRRYIJV-MPGHIAIKSA-N	461.585	-0.742	50	50	JBGA	
COc1cc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC(C)=O	1105477	FAVUAKQZKPPYEO-GZIVZEMBSA-N	458.431	-0.474	50	50	JBGA	
CC(=O)N[C@@H]1[C@H](SC[C@H](O)CCl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	252430870	PEYNXWFIAHBILA-JHMPBIJASA-N	455.913	-0.025	50	50	JBGA	
COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NC(=O)[C@H]1CCCN1[C@@H](C)C(=O)CCl	1775953799	RHGXHACEVXSAHV-YIYPIFLZSA-N	474.942	-0.747	50	50	JBGA	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(B(O)O)c3C=O)CC2)cc1	2325825925	IAFOQLTUBASTQN-INIZCTEOSA-N	460.317	-0.212	50	50	JBGA	
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(B(O)O)c1C=O	2325827205	ZELZWYFNSOBEQH-UHFFFAOYSA-N	492.315	-0.384	50	50	JBGA	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCOCCOCCCl	245256126	NXJBXBBAOWTFEK-JAZQRGJZSA-N	497.925	-0.069	50	50	JBGA	
CCCc1cc(O)nc(NNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)n1	1875352713	AZUODGNKRCSCAR-UHFFFAOYSA-N	478.535	-0.307	50	50	JBGA	
CC(=O)N[C@@H]1[C@H](OCCOCCOCCCl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	245256128	NXJBXBBAOWTFEK-USYVTKNRSA-N	497.925	-0.069	50	50	JBGA	
O=C(CBr)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O	109338858	BONNYNBXMCRXBJ-UHFFFAOYSA-N	483.312	-0.439	50	50	JBGA	in-vitro
COC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	252678308	DNEYYYJYEVJFEB-KRWDZBQOSA-N	452.423	-0.017	50	50	JBGA	
CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H]2[C@@H]1NC(=O)N2C[C@@H](Br)CBr	1848443952	ARLCHJTZGVKJHS-DJLDLDEBSA-N	498.219	-0.641	50	50	JBGA	
CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1	13560071	YGVKPQSVBJEMMQ-BWLFODOESA-N	491.501	-0.730	50	50	JBGA	
O=C1CC[C@H](N2C(=O)c3ccc(C(=O)NNC(=O)c4cn5c(n4)CCCC5)cc3C2=O)C(=O)N1	2325897608	AMEMDWIKNHTPCM-HNNXBMFYSA-N	464.438	-0.305	50	50	JBGA	
COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NC(=O)[C@H]1CCCN1[C@H](C)C(=O)CCl	1775953797	RHGXHACEVXSAHV-AAVRWANBSA-N	474.942	-0.747	50	50	JBGA	
CC(=O)N[C@@H]1[C@H](SC[C@H](O)CCl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	252430869	PEYNXWFIAHBILA-DBHDPKECSA-N	455.913	-0.025	50	50	JBGA	
CC(=O)N[C@@H]1[C@H](SC[C@H](O)CCl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	252430871	PEYNXWFIAHBILA-XDKXFUCDSA-N	455.913	-0.025	50	50	JBGA