smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=N[C@@H]1C2C[C@H]3C4CC5C[C@H]3C1[C@H](C5)[C@H]4C2	103109357	CVWSCSWWTNHQQQ-BQSKBODFSA-N	229.327	3.613	10	1	BHCF	
c1ccc(C/N=N/c2ncnc3ccccc23)cc1	169688503	VUNVHPXZTVTKFI-VHEBQXMUSA-N	248.289	3.914	10	1	BHCF	
CC(C)/N=N/c1nnc(Cl)c2ccccc12	169691507	XOFVMSVSARJYAJ-FYWRMAATSA-N	234.690	3.775	10	1	BHCF	
CC(C)c1cc(/N=N/C(N)=O)cc(C(C)C)c1O	13520855	USHIBJRFCCFRBX-FOCLMDBBSA-N	249.314	3.801	10	1	BHCF	
CC(C)CC(=O)N=Nc1c(O)[nH]c2ccccc12	253961080	VEGYXMJZJZDVSD-UHFFFAOYSA-N	245.282	3.530	10	1	BHCF	
Oc1[nH]c2ccccc2c1/N=N\c1ccccn1	102819469	RAKUQDIILFQMQB-MSUUIHNZSA-N	238.250	3.684	10	1	BHCF	
C[C@@H]1CC2=COC(=O)C2=CC2=C1CC(C)(C)C2	85994883	ARXVQLVJQUHCDP-SECBINFHSA-N	230.307	3.510	10	1	BHCF	
O=[N+]([O-])c1cccc([CH-]/N=N/c2ccccc2)c1	169721412	JJOYHDMGWJVAGZ-CCEZHUSRSA-N	240.242	3.889	10	1	BHCF	
Cc1cc(O)c(O)c([C@]2(C)CCCC2(C)C)c1	15273629	GPNWEPCCGRBHED-HNNXBMFYSA-N	234.339	3.874	10	1	BHCF	biogenic
CC(C)(C)c1cc2ccccn2c1C=S	987904	CQNGNEZNNBMPPY-UHFFFAOYSA-N	217.337	3.585	10	3	BHCF	
Cc1ccc(/N=N/C(=O)c2ccccc2)cc1	1772616735	IZMFQWGGMHHOIM-FOCLMDBBSA-N	224.263	3.919	10	1	BHCF	
CC(C)c1cc(/N=N\C(N)=O)cc(C(C)C)c1O	102743997	USHIBJRFCCFRBX-NXVVXOECSA-N	249.314	3.801	10	1	BHCF	
C(=C/N1CCCCC1)\N=N\c1ccccc1	40949788	QCTAPCFYNIBCTP-HFCGUZMISA-N	215.300	3.727	10	1	BHCF	
O=C(O)c1cccc(/N=N/c2ccc(O)cc2)c1	62260267	MGQRCDWAEYGOIZ-CCEZHUSRSA-N	242.234	3.506	10	1	BHCF	
Cc1ccc2cc(C(C)(C)C)c(C=S)n2c1	481506	HFLBRJJCNPDYAO-UHFFFAOYSA-N	231.364	3.893	10	3	BHCF	
Cc1nc(N)sc1/N=N\c1ccc(F)cc1	14188134	PLBNVKTUTHWYFA-PFONDFGASA-N	236.275	3.588	10	1	BHCF	
[N-]=[N+]=N[C@@H]1[C@H]2C[C@H]3[C@H]4C[C@H]5C[C@H]3[C@H]1[C@H](C5)[C@H]4C2	1857742159	CVWSCSWWTNHQQQ-ISJMUDMHSA-N	229.327	3.613	10	1	BHCF	
COc1ccc(/N=N\Cc2ccc(O)cc2)cc1	169719953	GIKWPJYNHPZUTF-NXVVXOECSA-N	242.278	3.685	10	1	BHCF	
O=[N+]([O-])c1ccc([CH-]/N=N/c2ccccc2)cc1	169721413	BPAGOBKFQMQMLG-CCEZHUSRSA-N	240.242	3.889	10	1	BHCF	
C[C@@H](N=O)c1cc(Cl)cc(Cl)c1O	169690143	SOMMNOOPOCAXNJ-SCSAIBSYSA-N	220.055	3.526	10	1	BHCF	
Nc1ccc(Nc2coc3ccccc23)cc1	5590137	BSABOCDPMAQHNK-UHFFFAOYSA-N	224.263	3.759	10	1	BHCF	
CC(C)=CCCC1=CCc2ccc(O)c(O)c2C1	103237222	DDJWMDWLSCIKAS-UHFFFAOYSA-N	244.334	3.869	10	1	BHCF	
CN(C)c1ccc(/N=[N+](\[O-])c2ccccc2)cc1	4096371	AVLLFBZLCFQWSX-ICFOKQHNSA-N	241.294	3.678	10	1	BHCF	in-vitro
CN(/N=N\c1ccccc1)c1ccccc1	100985256	IAFUNKUIRCNAQX-PFONDFGASA-N	211.268	3.822	10	1	BHCF	
CN(C)c1ccc([C@@H](N=O)c2ccccc2)cc1	169693238	JKFBWMFWAHVDGE-HNNXBMFYSA-N	240.306	3.608	10	1	BHCF	
Cc1ccc(C(C)C)c2c1C(=O)C[C@@H](C)C2=O	154720565	LZPYEVYKNPKODL-SNVBAGLBSA-N	230.307	3.524	10	1	BHCF	
C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)C[C@@H]1CC=C[C@@H]41	4004547	IEFXFGCWVIALAY-PYHGIMPFSA-N	249.357	3.840	10	1	BHCF	
CC(C)c1cc(N=NC(N)=O)cc(C(C)C)c1O	253981791	USHIBJRFCCFRBX-UHFFFAOYSA-N	249.314	3.801	10	1	BHCF	
Cc1ccc(/N=N/C=C2\CCCN2C)cc1	40918394	ZMPDRXJGDMAOBH-HFEXRDJISA-N	215.300	3.646	10	1	BHCF	
Cc1cc(N=NC(=O)c2ccccc2)ccc1O	253966698	JRWPIHHRIVVVNI-UHFFFAOYSA-N	240.262	3.625	10	1	BHCF	
Fc1cccc(F)c1C/N=N/c1ccccn1	169700610	MKJUUPZBKSWHRY-WUKNDPDISA-N	233.221	3.644	10	1	BHCF	
Cc1cc(/[N+]([O-])=N/c2ccccc2C)ccc1N	26567673	FIFMONWRNIEGNR-MSUUIHNZSA-N	241.294	3.811	10	1	BHCF	
Nc1ccc(C[C@H]2CCc3ccccc32)cc1	28523149	IFNMCDJEFWXUCT-CQSZACIVSA-N	223.319	3.541	10	1	BHCF	in-vivo
C[C@H](N=O)c1cc(Cl)cc(Cl)c1O	169690144	SOMMNOOPOCAXNJ-BYPYZUCNSA-N	220.055	3.526	10	1	BHCF	
C1=C[C@H]2c3ccccc3N[C@H](c3ccncc3)[C@@H]2C1	1418685	XMUOAVOTTRCNEM-YSVLISHTSA-N	248.329	3.908	10	1	BHCF	
CN1C=C(/N=N/c2ccc(Cl)cc2)CCC1	40918465	CWTJDGBHOHSELR-CCEZHUSRSA-N	235.718	3.991	10	1	BHCF	
COc1ccc(/N=N/C(=O)c2ccccc2)cc1	1772645820	OVQGNNBPAJYIRF-FOCLMDBBSA-N	240.262	3.619	10	1	BHCF	
Cc1cc(/N=N/C(=O)c2ccccc2)ccc1O	95545598	JRWPIHHRIVVVNI-FOCLMDBBSA-N	240.262	3.625	10	1	BHCF	
Oc1ccc(CCc2cccc(Cl)c2)cc1O	64454466	UXRIXFDGGMTBAQ-UHFFFAOYSA-N	248.709	3.536	10	1	BHCF	
Cc1cc([C@]2(C)CCCC2(C)C)cc(O)c1O	15273647	RAIWLVBQMWXTFS-HNNXBMFYSA-N	234.339	3.874	10	1	BHCF	biogenic
CN1[C]2C(=Cc3ccccc31)c1ccccc1N2C	2356851594	HIBPOJFPRIKWDB-UHFFFAOYSA-N	247.321	3.616	10	1	BHCF	
C1=C[C@H]2c3ccccc3N[C@H](c3ccncc3)[C@H]2C1	94547	XMUOAVOTTRCNEM-JLJPHGGASA-N	248.329	3.908	10	1	BHCF	
[N-]=[N+]=N[C@H]1[C@H]2C[C@H]3[C@H]4C[C@H]5C[C@H]3[C@H]1[C@H](C5)[C@H]4C2	1857742160	CVWSCSWWTNHQQQ-SFDKEESKSA-N	229.327	3.613	10	1	BHCF	
CN1CCC/C1=C\N=N\c1ccc(Cl)cc1	40917989	WSQMLQPKUNXFOL-HFCGUZMISA-N	235.718	3.991	10	1	BHCF	
[N-]=[N+]=N[C@H]1CCCc2nc3ccccc3c(N)c21	26672586	JFTHICFHSKQEAT-NSHDSACASA-N	239.282	3.505	10	1	BHCF	
CC(C)=C/C=C/[C@@H](C)c1ccc(C=O)c(O)c1O	14444342	HYIQPOJSOSXRKS-DUMNWFOQSA-N	246.306	3.536	10	1	BHCF	
Oc1[nH]c2ccccc2c1N=Nc1ccccn1	254018044	RAKUQDIILFQMQB-UHFFFAOYSA-N	238.250	3.684	10	1	BHCF	
CC(C)c1ccc2c(c1O)[C@@](C)(N=[N+]=[N-])C2	222129896	FHPFWKMLWIGQEQ-LBPRGKRZSA-N	217.272	3.597	10	1	BHCF	
C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)C[C@H]1CC=C[C@H]41	4004546	IEFXFGCWVIALAY-KBXIAJHMSA-N	249.357	3.840	10	1	BHCF	
COc1ccc(C/N=N/c2ccccc2)cc1O	169721395	KEVDTNOHRJGCME-FOCLMDBBSA-N	242.278	3.685	10	1	BHCF	
COc1ccc(/N=N\c2ccc(CO)cc2)cc1	102814158	OFFHRTAABMTUCR-NXVVXOECSA-N	242.278	3.603	10	1	BHCF	
[N-]=[N+]=NC12CC3C4CC5CC3[C@H](C1)C(C5)[C@H]4C2	1857626410	WGSWUQPIDSQYLO-ZKWAESIHSA-N	229.327	3.758	10	1	BHCF	
Cc1cc2c3c(c(O)c(O)c(C(C)C)c3c1)CO2	6070461	UACUHHDLYFQIDS-UHFFFAOYSA-N	244.290	3.575	10	1	BHCF	biogenic,in-vitro
CN(C)c1ccc(/C=C/c2ccc(O)cc2)cc1	13673430	HBQOSFXNSGEHIA-ONEGZZNKSA-N	239.318	3.629	10	1	BHCF	
CN(C)c1ccc(N=[N+]([O-])c2ccccc2)cc1	100201725	AVLLFBZLCFQWSX-UHFFFAOYSA-N	241.294	3.678	10	1	BHCF	in-vitro
CC(C)CC(=O)/N=N\c1c(O)[nH]c2ccccc12	102534717	VEGYXMJZJZDVSD-NXVVXOECSA-N	245.282	3.530	10	1	BHCF	
Cc1ccc(Nc2cc(O)cs2)cc1C	169730428	ULOWWKHOWBLDKB-UHFFFAOYSA-N	219.309	3.814	10	1	BHCF	
Oc1ccc(/C=C/c2ccc(Cl)cc2)cc1O	1857760342	JGUZPZZPWUCYBE-OWOJBTEDSA-N	246.693	3.922	10	1	BHCF	
C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)C[C@H]1CC=C[C@@H]41	4004545	IEFXFGCWVIALAY-TUVASFSCSA-N	249.357	3.840	10	1	BHCF	
CC(C)CC(=O)/N=N/c1c(O)[nH]c2ccccc12	13121690	VEGYXMJZJZDVSD-FOCLMDBBSA-N	245.282	3.530	10	1	BHCF	
COc1ccccc1/N=N\c1c(C)noc1C	102397845	LGQVBDFWRLUZET-YPKPFQOOSA-N	231.255	3.715	10	1	BHCF	
Oc1cc2ccoc2cc1CNc1ccccc1	28003273	CALXOPFKTUKCHC-UHFFFAOYSA-N	239.274	3.751	10	1	BHCF	
OCc1ccc(/N=N\c2ccccc2)cc1	102672066	KDTXPUDCLDUROO-PFONDFGASA-N	212.252	3.594	10	1	BHCF	
CC(C)=CC=C[C@@H](C)c1ccc(C=O)c(O)c1O	2356645891	HYIQPOJSOSXRKS-LLVKDONJSA-N	246.306	3.536	10	1	BHCF	
Cc1ccc([C@]2(C)CCCC2(C)C)c(O)c1O	13412315	GVYYOVVPKOYDIT-HNNXBMFYSA-N	234.339	3.874	10	1	BHCF	biogenic
CC(C)=CC=C[C@H](C)c1ccc(C=O)c(O)c1O	2356645892	HYIQPOJSOSXRKS-NSHDSACASA-N	246.306	3.536	10	1	BHCF	
Oc1cc2c(cc1O)[C@H](c1ccccc1)CCC2	28896227	GGJZWFCGEBLWPC-ZDUSSCGKSA-N	240.302	3.566	10	1	BHCF	
CCCCCN(C)/N=N/c1ccc(C(=O)O)cc1	25998488	TUJYUSMRVZZAIX-CCEZHUSRSA-N	249.314	3.506	10	1	BHCF	
Cc1ccc([C@@]2(C)CCCC2(C)C)c(O)c1O	13412318	GVYYOVVPKOYDIT-OAHLLOKOSA-N	234.339	3.874	10	1	BHCF	biogenic
CN(C)c1ccc(N=Nc2nccs2)cc1	263591161	GYNBRTUYPVOSGE-UHFFFAOYSA-N	232.312	3.625	10	3	BHCF	
CN1C=C(/N=N/c2cccc(Cl)c2)CCC1	40914977	KUOPJRLAUHHIHI-CCEZHUSRSA-N	235.718	3.991	10	1	BHCF	
Oc1ccc(C/N=N\c2ccccc2)cc1	143209156	PATOEINETMDYRQ-PFONDFGASA-N	212.252	3.676	10	1	BHCF	
CCCc1ccc(Oc2ccc(N)cc2)c(O)c1	64490612	CIKCANOTXAHYEO-UHFFFAOYSA-N	243.306	3.719	10	1	BHCF	
CCOc1ccc(C/N=N/c2ccccn2)cc1	169688493	DMCHPRUHSKDTLW-WUKNDPDISA-N	241.294	3.764	10	1	BHCF	
Cc1nc(N)sc1N=Nc1ccc(F)cc1	253981739	PLBNVKTUTHWYFA-UHFFFAOYSA-N	236.275	3.588	10	1	BHCF	aggregator
CCCCC[C@@H](C)c1cc(C)c(O)c(CN)c1	29218130	WDTFORKRPGQWQP-LLVKDONJSA-N	235.371	3.843	10	1	BHCF	
[N-]=[N+]=N[C@@H]1CCCc2nc3ccccc3c(N)c21	26672590	JFTHICFHSKQEAT-LLVKDONJSA-N	239.282	3.505	10	1	BHCF	
Nc1ccc(C[C@@H]2CCc3ccccc32)cc1	28523148	IFNMCDJEFWXUCT-AWEZNQCLSA-N	223.319	3.541	10	1	BHCF	in-vivo
S=C1/C(=C/c2ccccc2)Oc2ccccc21	1772581424	BRBGBGVHTZNKIS-UVTDQMKNSA-N	238.311	3.838	10	1	BHCF	
CC(C)=C/C=C/[C@H](C)c1ccc(C=O)c(O)c1O	14444341	HYIQPOJSOSXRKS-MALLOTDXSA-N	246.306	3.536	10	1	BHCF	
CN(Cc1ccccc1)N=Nc1ccccc1	263591110	AZKJDCFQZVEZJK-UHFFFAOYSA-N	225.295	3.817	10	3	BHCF	
CC(C)(N=[N+]=[N-])c1cc2c3c(cccc3n1)CC2	587211328	PIGPFTPXSSHEES-UHFFFAOYSA-N	238.294	3.879	10	1	BHCF	
CCCCC[C@H](C)c1cc(C)c(O)c(CN)c1	29218134	WDTFORKRPGQWQP-NSHDSACASA-N	235.371	3.843	10	1	BHCF	
Cn1c(/N=N\c2ccccc2)nc2ccccc21	17723886	INKMRFJWZYZHIL-MSUUIHNZSA-N	236.278	3.989	10	1	BHCF	
Cc1cc(O)c(O)c([C@@]2(C)CCCC2(C)C)c1	15273626	GPNWEPCCGRBHED-OAHLLOKOSA-N	234.339	3.874	10	1	BHCF	biogenic
O=C(O)c1cccc(/N=N/Cc2cccs2)c1	169688462	NJDHUEMYUNJCEC-BUHFOSPRSA-N	246.291	3.730	10	1	BHCF	
[N-]=[N+]=N[C@H]1C2C[C@H]3C4CC5C[C@H]3C1[C@H](C5)[C@H]4C2	104273117	CVWSCSWWTNHQQQ-MYILTUFUSA-N	229.327	3.613	10	1	BHCF	
Oc1[nH]c2ccccc2c1/N=N/c1ccccn1	102819472	RAKUQDIILFQMQB-WUKNDPDISA-N	238.250	3.684	10	1	BHCF	
[N-]=[N+]=NCCNc1ccnc2cc(Cl)ccc12	40893876	YYWCABGPGFGCTN-UHFFFAOYSA-N	247.689	3.610	10	1	BHCF	biogenic
Cc1cc([C@@]2(C)CCCC2(C)C)cc(O)c1O	15273644	RAIWLVBQMWXTFS-OAHLLOKOSA-N	234.339	3.874	10	1	BHCF	biogenic
Oc1ccc(CCc2ccc(Cl)cc2)cc1O	64436365	SJYIDEAYMRNXEP-UHFFFAOYSA-N	248.709	3.536	10	1	BHCF	
Oc1ccc2cc(-c3ccccc3)ccc2c1O	53313097	JNTBBQCCUUPQRG-UHFFFAOYSA-N	236.270	3.918	10	1	BHCF	
Nc1ccc(C[C@H]2C=Cc3ccccc32)cc1	28523572	CTQZYHBDQGUTCI-CQSZACIVSA-N	221.303	3.622	10	1	BHCF	in-vivo
CN(C)c1ccc([C@H](N=O)c2ccccc2)cc1	169693239	JKFBWMFWAHVDGE-OAHLLOKOSA-N	240.306	3.608	10	1	BHCF	
CC(=O)c1ccc(/N=N\c2ccc(N)cc2)cc1	102615618	XXYVIKVDWOLPLK-MSUUIHNZSA-N	239.278	3.887	10	1	BHCF	
Oc1ccc(CCCCc2ccccc2)cc1O	28896148	PEMMCHVJDAVCMU-UHFFFAOYSA-N	242.318	3.663	10	1	BHCF	
c1ccc(C/N=N/c2ccc3ccccc3n2)nc1	169693072	UQWHIVKLKVJOAZ-HTXNQAPBSA-N	248.289	3.914	10	1	BHCF	
Nc1ccc(C[C@@H]2C=Cc3ccccc32)cc1	28523571	CTQZYHBDQGUTCI-AWEZNQCLSA-N	221.303	3.622	10	1	BHCF	in-vivo
Cc1ccc(O)c(/N=N\c2nccs2)c1	100291418	MZRKINSTWYZJLV-SEYXRHQNSA-N	219.269	3.573	10	1	BHCF	
COc1cc(C/N=N/c2ccccc2)ccc1O	169721403	HWMHCKKMWUFRSD-FOCLMDBBSA-N	242.278	3.685	10	1	BHCF	
COc1ccc(N(CC(C)C)CC(C)C)cc1	5284544	LEWUERBZYJDAME-UHFFFAOYSA-N	235.371	3.814	10	1	BHCF	
O=[N+]([O-])c1ccccc1/N=N\c1ccc(O)cc1	102888778	IBDIGFWTFKXXAG-YPKPFQOOSA-N	243.222	3.716	10	1	BHCF	
Cc1csc(/N=N/Cc2ccccc2F)n1	169700614	HNRRLXBTFVYPFZ-FYWRMAATSA-N	235.287	3.875	10	1	BHCF	
Cc1cc(/N=N\C(=O)c2ccccc2)ccc1O	18043587	JRWPIHHRIVVVNI-NXVVXOECSA-N	240.262	3.625	10	1	BHCF	
CN1C=C(/N=N/c2ccccc2Cl)CCC1	40846065	IWUZFXUNYVIEIJ-CCEZHUSRSA-N	235.718	3.991	10	1	BHCF	
Clc1ccc(/N=N/C=C/N2CCCC2)cc1	40834602	PNDKEDFXJJMJSW-YFLNMOBYSA-N	235.718	3.991	10	1	BHCF	
Cc1ccc(O)c(/N=N\c2ccccc2)n1	100309165	LOCPVWIREQIGNQ-PFONDFGASA-N	213.240	3.511	10	1	BHCF	
Nc1c2ccccc2nc2c1ccc1ncccc12	3826528	RHRDMKUIKRPSNC-UHFFFAOYSA-N	245.285	3.518	10	1	BHCF	
c1ccc2c(/N=N/N3CCCCC3)ccnc2c1	36382772	YUXUGGXIFGZIDH-WUKNDPDISA-N	240.310	3.719	10	1	BHCF	
CC(C)c1ccc2c(c1O)[C@](C)(N=[N+]=[N-])C2	222129953	FHPFWKMLWIGQEQ-GFCCVEGCSA-N	217.272	3.597	10	1	BHCF	
Cc1ccc(/N=N/C2=CN(C)CCC2)cc1	84893282	MYDRABDTGIDAOE-CCEZHUSRSA-N	215.300	3.646	10	1	BHCF	
CN(C)c1ccc(C2=Cc3ccccc3C2)cc1	36381157	XQSUIYUDVUTZKM-UHFFFAOYSA-N	235.330	3.849	10	1	BHCF	
Oc1cc2c(cc1O)[C@@H](c1ccccc1)CCC2	28896231	GGJZWFCGEBLWPC-CYBMUJFWSA-N	240.302	3.566	10	1	BHCF	
[N-]=[N+]=NCCCCCCc1nc2ccccc2[nH]1	587259678	HMRISNIVMRXHIR-UHFFFAOYSA-N	243.314	3.976	10	1	BHCF