smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)c1ccc(C(=O)OC)c(NC=C2C(=O)NC(=O)NC2=O)c1	6579732	WNCRHAAFWDQIGH-UHFFFAOYSA-N	347.283	-0.078	10	50	EBCA	
CCN1C(=O)NC(=O)/C(=C\Nc2ccc(S(N)(=O)=O)cc2)C1=O	6574361	XVOAHHDAXDKHCS-JXMROGBWSA-N	338.345	-0.272	10	50	EBCA	
NC(=O)CNC(=S)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1875310014	ZFIOJGLVMUIYJC-UHFFFAOYSA-N	349.460	-0.162	10	50	EBCA	
COC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC	4704576	ZHQCNPQFOHPEBH-UHFFFAOYSA-N	334.284	-0.004	10	50	EBCA	
CC(=O)OC[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	242614909	PLVPDCSPQJIUQM-MJDLHHQISA-N	331.281	-0.191	10	50	EBCA	
CC(=O)OC[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@@H]1OC(C)=O	242614906	PLVPDCSPQJIUQM-KNZXXDILSA-N	331.281	-0.191	10	50	EBCA	
O=C1N=C(O)/C(=C\NC(CO)(CO)CO)C(=O)N1Cc1ccccc1	102716894	SWBNNASHQGCTBC-WUXMJOGZSA-N	349.343	-0.706	10	50	EBCA	
CC(=O)OC[C@H]1O[C@@H](O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	77319590	PLVPDCSPQJIUQM-RMPHRYRLSA-N	331.281	-0.191	10	50	EBCA	in-vitro
CC(CO)(CO)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O	5686038	ULRXHLUNIZXFAI-KPKJPENVSA-N	333.344	-0.518	10	50	EBCA	
COc1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1	25664761	COPNSOACXAOPIP-HUUCEWRRSA-N	326.418	-0.025	10	50	EBCA	
COC(=O)c1cc(NC=C2C(=O)NC(=O)NC2=O)cc(C(=O)OC)c1	6579657	PWZGQIPMTUFCDD-UHFFFAOYSA-N	347.283	-0.078	10	50	EBCA	
COc1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1	25664767	COPNSOACXAOPIP-LSDHHAIUSA-N	326.418	-0.025	10	50	EBCA	
CC(CO)(CO)N/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O	5686040	FLIFDDXAGJFNJT-YRNVUSSQSA-N	335.385	-0.349	10	50	EBCA	
NC(=O)CNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	727079839	UMBXBVOUWUEJAI-GFCCVEGCSA-N	349.460	-0.162	10	50	EBCA	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(N)=O	2745319	LSGZIQAFMJZZIA-UHFFFAOYSA-N	349.368	-0.136	10	50	EBCA	
COc1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1	25664751	COPNSOACXAOPIP-CABCVRRESA-N	326.418	-0.025	10	50	EBCA	
CC(=O)OC[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	218721641	PLVPDCSPQJIUQM-KQSJRHEJSA-N	331.281	-0.191	10	50	EBCA	
CC(=O)OC[C@@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@H](OC(C)=O)[C@H]1OC(C)=O	242614911	PLVPDCSPQJIUQM-OSUNSFLBSA-N	331.281	-0.191	10	50	EBCA	
CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1O	1704353074	PTKVWACJLDAWKF-GXTWGEPZSA-N	341.433	-0.478	10	50	EBCA	
NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	8974197	JVKXBBZEIBURQO-UHFFFAOYSA-N	326.359	-0.839	10	50	EBCA	
COc1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1	25664755	COPNSOACXAOPIP-GJZGRUSLSA-N	326.418	-0.025	10	50	EBCA	
CNS(=O)(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2	241775916	RQDIWGLXIVWWAD-UHFFFAOYSA-N	327.406	-0.059	10	50	EBCA	
CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)Cc1ccc(N)cc1	1704297240	STRZGHLRPRRTHD-GXTWGEPZSA-N	341.433	-0.166	10	50	EBCA	
CC(=O)OC[C@H]1O[C@H](O)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	77319592	PLVPDCSPQJIUQM-ZIQFBCGOSA-N	331.281	-0.191	10	50	EBCA	in-vitro
CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)Cc1ccc(N)cc1	1772702566	STRZGHLRPRRTHD-JSGCOSHPSA-N	341.433	-0.166	10	50	EBCA	
NC(=O)CNC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	727079840	UMBXBVOUWUEJAI-LBPRGKRZSA-N	349.460	-0.162	10	50	EBCA