smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=N[C@H]1CCc2c(F)cccc21	616582137	FFUPXJHXTLWXBI-VIFPVBQESA-N	177.182	3.123	10	30	AGCC	
[N-]=[N+]=NC[C@H]1CCC=CCCC1	724452055	VIJSXFAYZZRBHL-VIFPVBQESA-N	165.240	3.433	10	30	AGCC	
[N-]=[N+]=NCc1ccc(Cl)s1	42390370	UFUYOBONKKTXGP-UHFFFAOYSA-N	173.628	3.212	10	30	AGCC	
[N-]=[N+]=NCC1CCC(F)(F)CC1	238665971	PEWHZESEJLOVSY-UHFFFAOYSA-N	175.182	3.122	10	30	AGCC	
[N-]=[N+]=N[C@H]1CCCc2ccccc21	75423188	JRCCMJGRDJTQNS-JTQLQIEISA-N	173.219	3.374	10	30	AGCC	
C[C@H]1CCCC[C@]1(C)N=[N+]=[N-]	38415838	WDXYKEFLPDFAIC-YUMQZZPRSA-N	153.229	3.266	10	30	AGCC	in-vitro
[N-]=[N+]=NC[C@@H]1CCCCC1(F)F	238855677	SMYSHBCFIKWMHN-LURJTMIESA-N	175.182	3.122	10	30	AGCC	in-vitro
[N-]=[N+]=NC[C@H]1CCCCC1(F)F	238855678	SMYSHBCFIKWMHN-ZCFIWIBFSA-N	175.182	3.122	10	30	AGCC	in-vitro
O/N=N/c1cc(Cl)ccc1Cl	2507901	WAKVBBFVJLUCDU-UHFFFAOYSA-N	191.017	3.466	10	30	AGCC	
Oc1ccc(N=Nc2ccncc2)cc1	394924162	BCBHUOGPSRNKLW-UHFFFAOYSA-N	199.213	3.203	10	30	AGCC	
C[C@H]1CCCC[C@@]1(C)N=[N+]=[N-]	136936903	WDXYKEFLPDFAIC-JGVFFNPUSA-N	153.229	3.266	10	30	AGCC	in-vitro
[N-]=[N+]=NCC[C@H]1CCCC1(F)F	642882255	KHNPCVKFLMIFPB-ZCFIWIBFSA-N	175.182	3.122	10	30	AGCC	
[N-]=[N+]=NCC1CCC=CCC1	675050584	YWHOOCZXIRAUAP-UHFFFAOYSA-N	151.213	3.043	10	30	AGCC	
[N-]=[N+]=NC[C@@H](N=[N+]=[N-])c1ccccc1	238591950	HEMXMQBGFIHNQH-MRVPVSSYSA-N	188.194	3.348	10	30	AGCC	
[N-]=[N+]=NC[C@H]1CC2CCC1CC2	575562478	BNYVOGFNJLVBBK-AMDVSUOASA-N	165.240	3.123	10	30	AGCC	
[N-]=[N+]=NC[C@@H]1CC2CCC1CC2	575562479	BNYVOGFNJLVBBK-HACHORDNSA-N	165.240	3.123	10	30	AGCC	
FC(F)(F)c1ccc(C=S)cc1	56953533	LTOLKGNLPROAEY-UHFFFAOYSA-N	190.189	3.053	10	30	AGCC	
[N-]=[N+]=N[C@@H]1CCCc2ccccc21	75423189	JRCCMJGRDJTQNS-SNVBAGLBSA-N	173.219	3.374	10	30	AGCC	
C=Cc1ccc(N(CC)CC)cc1	33951770	CBZMQWPBAUBAPO-UHFFFAOYSA-N	175.275	3.176	10	30	AGCC	
C[C@@H]1CCCC[C@]1(C)N=[N+]=[N-]	238396260	WDXYKEFLPDFAIC-SFYZADRCSA-N	153.229	3.266	10	30	AGCC	in-vitro
[N-]=[N+]=NC[C@H](N=[N+]=[N-])c1ccccc1	238592767	HEMXMQBGFIHNQH-QMMMGPOBSA-N	188.194	3.348	10	30	AGCC	
S=C(c1ccccc1)c1ccccc1	32145575	XDDVRYDDMGRFAZ-UHFFFAOYSA-N	198.290	3.453	10	30	AGCC	
[N-]=[N+]=NCC[C@@H]1CCCC1(F)F	642882254	KHNPCVKFLMIFPB-LURJTMIESA-N	175.182	3.122	10	30	AGCC	
[N-]=[N+]=NC[C@@H]1CCC=CCCC1	724452053	VIJSXFAYZZRBHL-SECBINFHSA-N	165.240	3.433	10	30	AGCC	
[N-]=[N+]=NCCc1c[nH]c2ccccc12	138373517	HMWVTNAPDLFAKS-UHFFFAOYSA-N	186.218	3.021	10	30	AGCC	
C[C@@H]1CCCC[C@@]1(C)N=[N+]=[N-]	238460954	WDXYKEFLPDFAIC-HTQZYQBOSA-N	153.229	3.266	10	30	AGCC	in-vitro
[N-]=[N+]=N[C@@H]1CCc2c(F)cccc21	616582128	FFUPXJHXTLWXBI-SECBINFHSA-N	177.182	3.123	10	30	AGCC	
C[Si](C)(C)CCc1ccc(N)cc1	204559989	QENZLPBXUQYNKR-UHFFFAOYSA-N	193.366	3.150	10	30	AGCC	in-vitro