smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)c1	1041548	XWJDLROSRFJKAK-UHFFFAOYSA-N	367.404	4.270	10	30	FICC	
O=[N+]([O-])c1ccc(/N=N/c2cc3c(c4cccc(O)c24)NC[C@@H](O)C3)cc1	38646713	WVJOJDCLAFKLPC-OXBTWTFQSA-N	364.361	4.198	10	30	FICC	
CCN(Cc1ccccc1)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1	5139633	BXNKMSXIXDDERZ-UHFFFAOYSA-N	359.493	4.163	10	30	FICC	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1	5318038	ODGMWVOSLIKULK-UHFFFAOYSA-N	371.488	4.201	10	30	FICC	
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2F)cc1	5299066	ZNDPAUWIWUGTNC-UHFFFAOYSA-N	369.417	4.166	10	30	FICC	
CC(=O)[C@@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	111400457	DZPAQLHIDOYCNQ-FVGNFYTDSA-N	374.784	4.237	10	30	FICC	
CCOc1cc(/N=N/c2ccc(Cl)c(S(=O)(=O)O)c2)c(C)cc1N	111896759	OJYHXEGJQSWREJ-VHEBQXMUSA-N	369.830	4.291	10	30	FICC	
CC(=O)[C@@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1C	103844756	LYXFVDLRJONRTM-KHOFPDMRSA-N	368.393	4.200	10	30	FICC	
COc1ccc(Sc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1	5733459	GPKKHRIXFZCDJC-UHFFFAOYSA-N	362.406	4.327	10	30	FICC	
C[C@@H]1OCN(c2ccc(OC(F)(F)F)cc2)Cn2c1nc1ccccc12	4337714	KCFSMJUGCOOXNU-LBPRGKRZSA-N	363.339	4.448	10	30	FICC	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccc(F)cc1	1041550	DGGWKKLNNHHDOT-UHFFFAOYSA-N	355.368	4.400	10	30	FICC	
COC(=O)CCN1CCCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21	4344370	BZTAHSUKMDDNCH-QZQOTICOSA-N	368.393	4.326	10	30	FICC	
CCN(CCO)c1ccc(C2=[N+](C)c3ccc(Cl)c4cccc2c34)cc1	5139579	IWGATKJNTVVXJP-UHFFFAOYSA-N	365.884	4.437	10	30	FICC	
O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1	2265241365	VKRMFLNIQTUUOM-UHFFFAOYSA-N	360.391	4.140	10	30	FICC	
O=C1/C(=C\c2ccccn2)SC(=S)N1CCc1ccc(Cl)cc1	1041414	UFIDVGSCNZFUHM-RVDMUPIBSA-N	360.891	4.179	10	30	FICC	
CN(CCO)c1ccc(/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1	5138542	NVIFSHLPLBEZFC-UHFFFAOYSA-N	369.916	4.488	10	30	FICC	
O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccc(S(=O)(=O)O)cc23)cc1	6092581	RJQPSYFFJOLUPJ-ISLYRVAYSA-N	373.346	4.116	10	30	FICC	
O=C1CSC(=S)N1c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	4370743	DYXOTZVUDQLCJZ-WUKNDPDISA-N	358.404	4.375	10	30	FICC	
CCN1c2ccc(/C=C/c3cc[n+](CCO)cc3)cc2[C@@H](C)CC1(C)C	38634883	XVUJJTFXTKZAPQ-SFHVURJKSA-N	351.514	4.249	10	30	FICC	
O=C1c2ccccc2C(=O)C1[C@@H](C[N+](=O)[O-])c1c(Cl)cccc1Cl	100394211	FICXBPUIGVMZKE-NSHDSACASA-N	364.184	4.049	10	30	FICC	
Oc1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1)OCO2	4377858	HXJFFFROKPIVPM-SFHVURJKSA-N	365.351	4.325	10	30	FICC	
O=C1c2ccccc2C(=O)C1[C@H](C[N+](=O)[O-])c1c(Cl)cccc1Cl	100394215	FICXBPUIGVMZKE-LLVKDONJSA-N	364.184	4.049	10	30	FICC	
COc1ccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1	1041568	IMGVSGXCKOGKMS-UHFFFAOYSA-N	367.404	4.270	10	30	FICC	
CC(=O)[C@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1C	103844766	LYXFVDLRJONRTM-VEGAHXMMSA-N	368.393	4.200	10	30	FICC	
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(c2ccc(Br)cc2)C1	616582227	IMWZPCGTUCRNAA-UHFFFAOYSA-N	353.220	4.205	10	30	FICC	
CCOc1ccc2nc3cc(N=Nc4ccc(N)nc4N)ccc3c(N)c2c1	254013244	QNWGRUNKGVWOTA-UHFFFAOYSA-N	373.420	4.344	10	30	FICC	
O=[N+]([O-])c1ccc(/N=N/c2cc3c(c4cccc(O)c24)NC[C@H](O)C3)cc1	38646708	WVJOJDCLAFKLPC-CTBAPTLKSA-N	364.361	4.198	10	30	FICC	
CCN1c2ccc(/C=C/c3cc[n+](CCO)cc3)cc2[C@H](C)CC1(C)C	38634880	XVUJJTFXTKZAPQ-GOSISDBHSA-N	351.514	4.249	10	30	FICC	
CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(N3CCOCC3)cc2)c1C	1047002	CPTKWKBFQPOVQC-UHFFFAOYSA-N	370.493	4.097	10	30	FICC	
Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1)OCO2	4377859	HXJFFFROKPIVPM-GOSISDBHSA-N	365.351	4.325	10	30	FICC	
COC(=O)c1ccccc1/N=N/c1c(O)c(C(=O)O)cc2ccccc12	111874449	NFXGRIHAQBMNIW-QZQOTICOSA-N	350.330	4.446	10	30	FICC	
C[C@H]1OCN(c2ccc(OC(F)(F)F)cc2)Cn2c1nc1ccccc12	1046363	KCFSMJUGCOOXNU-GFCCVEGCSA-N	363.339	4.448	10	30	FICC	
CC(=O)Nc1ccc(C=C2C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1	2265279761	MYOBZJXKSSIVHD-UHFFFAOYSA-N	361.445	4.477	10	30	FICC	
COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1O	1026689	AARMVJGOACBUSX-FQEVSTJZSA-N	364.376	4.311	10	30	FICC	
CC(=O)[C@H](/N=N/c1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	111400451	DZPAQLHIDOYCNQ-BZROSYFNSA-N	374.784	4.237	10	30	FICC	
CCN1/C(=C2\SC(=S)N(c3ccccc3)C2=O)Oc2ccccc21	33650437	NZXOOVIFUOKSNY-BMRADRMJSA-N	354.456	4.139	10	30	FICC	
CN1c2ccccc2Sc2ccc(CC(=S)N3CCOCC3)cc21	5318659	XGNWSASAYPRWCT-UHFFFAOYSA-N	356.516	4.121	10	30	FICC	
O=C1/C(=C\Nc2ccccc2)C(Nc2ccccc2)=NN1c1ccccc1	6816354	NJYVFQXZZAJUNJ-SILNSSARSA-N	354.413	4.455	10	30	FICC	
COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1O	1026692	AARMVJGOACBUSX-HXUWFJFHSA-N	364.376	4.311	10	30	FICC