smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CNc1ccc(Nc2ccccc2)cc1	5329171	GYXXGCCWYRAYGT-UHFFFAOYSA-N	198.269	3.472	10	50	AGCA	
CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2	2028342	AAADKYXUTOBAGS-XCBNKYQSSA-N	168.305	3.203	10	50	AGCA	in-vivo
Cc1ccc(C)n1-c1ccccc1	1635571	JNXIFVSGXLGULI-UHFFFAOYSA-N	171.243	3.094	10	50	AGCA	
Nc1ccc(CCc2ccccc2)cc1	1728033	ZRPMISJEZSOSQC-UHFFFAOYSA-N	197.281	3.054	10	50	AGCA	
[N-]=[N+]=NC12CC3CC(CC(C3)C1)C2	5185533	JOMZSYXWYOVFEE-UHFFFAOYSA-N	177.251	3.266	10	50	AGCA	
CCCCCCc1ccc(N)cc1	2010291	OVEMTTZEBOCJDV-UHFFFAOYSA-N	177.291	3.392	10	50	AGCA	in-vitro
c1coc(CSc2nccs2)c1	2576101	DZZDZLUKNFXMCC-UHFFFAOYSA-N	197.284	3.028	10	50	AGCA	
COc1ccc(CN=[N+]=[N-])cc1Cl	4202431	VHUDJXQSEMBDMX-UHFFFAOYSA-N	197.625	3.159	10	50	AGCA	
Nc1ccc(Oc2ccccc2)cc1	240989	WOYZXEVUWXQVNV-UHFFFAOYSA-N	185.226	3.061	10	50	AGCA	in-vitro
Oc1ccccc1CNc1ccccc1	400523	RPHPKMUPELFCMC-UHFFFAOYSA-N	199.253	3.004	10	50	AGCA	in-vitro
Cc1ccc(C)n1Cc1ccccc1	977615	RNXMFQXZASNQHV-UHFFFAOYSA-N	185.270	3.153	10	50	AGCA	in-vitro
O=C1CCCCCCCCCCC1=O	2385011	OWWQGTRAKKFTAM-UHFFFAOYSA-N	196.290	3.039	10	50	AGCA	
CC1(C)Nc2cccc3cccc(c23)N1	392955	DETLTZYXZWIXIB-UHFFFAOYSA-N	198.269	3.413	10	50	AGCA	
Nc1ccccc1NC1CCCCC1	1440341	YQACKMXMLJSWFM-UHFFFAOYSA-N	190.290	3.013	10	50	AGCA	
Cc1ccc(C)n1-c1ccc(F)cc1	4054617	AIWFQKZWZOYVMK-UHFFFAOYSA-N	189.233	3.233	10	50	AGCA	in-vitro
CC(C)c1cc(O)c(O)c(C(C)C)c1	404367	VMYLKGAEBQHVPE-UHFFFAOYSA-N	194.274	3.345	10	50	AGCA	
Cc1ccc(Oc2ccc(N)cc2)cc1	292018	VPCGOYHSWIYEMO-UHFFFAOYSA-N	199.253	3.370	10	50	AGCA	in-vitro
Cc1ccccc1Oc1ccc(N)cc1	335312	JPCCVWJJMUIBJR-UHFFFAOYSA-N	199.253	3.370	10	50	AGCA	in-vitro
CC(C)(C)CCc1ccc(N)cc1	144635399	HMCOWTGXTHSFMI-UHFFFAOYSA-N	177.291	3.248	10	50	AGCA	
CCCCN/N=N/c1ccc(C)cc1	6655532	DBHFMKOBJOOXCA-UHFFFAOYSA-N	191.278	3.383	10	50	AGCA	
[N-]=[N+]=NCc1ccccc1Cl	37206921	BOSNISRGGXSMHE-UHFFFAOYSA-N	167.599	3.150	10	50	AGCA	in-vitro
[N-]=[N+]=NCc1ccc(Cl)cc1	37206928	JMTPIENQTKMREN-UHFFFAOYSA-N	167.599	3.150	10	50	AGCA	in-vitro
CCCCCc1ccc(N)cc1	2166826	DGFTWBUZRHAHTH-UHFFFAOYSA-N	163.264	3.002	10	50	AGCA	in-vitro
CC(C)(C)N=NC(C)(C)C	254311559	GKCPCPKXFGQXGS-UHFFFAOYSA-N	142.246	3.036	10	50	AGCA	
Oc1ccc(C2CCCCC2)cc1O	1672131	CHPDWZOITMMWOU-UHFFFAOYSA-N	192.258	3.146	10	50	AGCA	
Cc1ccc(C)n1-c1ccccc1F	8413503	BFSXBLWSHDADPC-UHFFFAOYSA-N	189.233	3.233	10	50	AGCA	in-vitro
Cc1cnc(CN=[N+]=[N-])c(C)c1Cl	665887195	YIUMKJYTPFOVHH-UHFFFAOYSA-N	196.641	3.162	10	50	AGCA	
[N-]=[N+]=NCSc1ccccc1	12956364	KIQGRMGPIMCXSC-UHFFFAOYSA-N	165.221	3.047	10	50	AGCA	
CCCCCCOc1ccc(N)cc1	1670233	DJRKHTCUXRGYEU-UHFFFAOYSA-N	193.290	3.228	10	50	AGCA	in-vitro
Oc1ccc(NCc2ccccc2)cc1	153232	SRYYOKKLTBRLHT-UHFFFAOYSA-N	199.253	3.004	10	50	AGCA	
[N-]=[N+]=NCCCC(=O)c1cccs1	75483975	XLMMBQOVMOYHMG-UHFFFAOYSA-N	195.247	3.021	10	50	AGCA	
[N-]=[N+]=NCCCCCCCCCO	216179345	IGMDLSJNBAFUCK-UHFFFAOYSA-N	185.271	3.020	10	50	AGCA	
Nc1ccc(Nc2ccccc2)cc1	136186	ATGUVEKSASEFFO-UHFFFAOYSA-N	184.242	3.012	10	50	AGCA	aggregator,in-vitro
CC1(C)CCCC(C)(C)C(=N)C1=N	101014110	YQZLUHIVBMMFNQ-UHFFFAOYSA-N	180.295	3.262	10	50	AGCA	
Cc1ccc(C)n1-c1cccc(F)c1	8413423	WSZMMKRHLWEHTD-UHFFFAOYSA-N	189.233	3.233	10	50	AGCA	in-vitro
Cc1ccc(C)c(CN=[N+]=[N-])c1	49257277	WNQRLULGOIIXCY-UHFFFAOYSA-N	161.208	3.114	10	50	AGCA	
CCOc1ccc2c(O)csc2c1	343064	IKSIVAMIINQNBN-UHFFFAOYSA-N	194.255	3.006	10	50	AGCA