smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Oc1ccccc1/N=N\c1ccccc1	100854688	PEXGTUZWTLMFID-YPKPFQOOSA-N	198.225	3.808	10	40	AHCB	
Cc1ccc(-n2c(C)ccc2C)cc1C	3186087	QSXYGOZVXATBIK-UHFFFAOYSA-N	199.297	3.711	10	40	AHCB	
Oc1ccccc1/N=N/c1ccccc1	33839053	PEXGTUZWTLMFID-BUHFOSPRSA-N	198.225	3.808	10	40	AHCB	
Oc1cccc(/N=N\c2ccccc2)c1	100854694	JJDKCHBQWVTFBN-YPKPFQOOSA-N	198.225	3.808	10	40	AHCB	
Cc1ccc(C)n1[C@@H](C)c1ccccc1	8729247	QAWXOZABZNDGFI-ZDUSSCGKSA-N	199.297	3.714	10	40	AHCB	
Oc1cccc(/N=N/c2ccccc2)c1	76495261	JJDKCHBQWVTFBN-BUHFOSPRSA-N	198.225	3.808	10	40	AHCB	
CCCCC(=S)c1ccccc1	59994527	NEDVMOACVULBCO-UHFFFAOYSA-N	178.300	3.595	10	40	AHCB	
CCCCc1ccc(C(C)=S)cc1	59657099	GDRFZJAIIBBIGN-UHFFFAOYSA-N	192.327	3.767	10	40	AHCB	
[N-]=[N+]=NCc1ccc2ccccc2c1	98174629	KEXRVNUJCRPPRE-UHFFFAOYSA-N	183.214	3.650	10	40	AHCB	
CCc1ccc(-n2c(C)ccc2C)cc1	977547	BPLGTDRZXWBASB-UHFFFAOYSA-N	199.297	3.657	10	40	AHCB	
S=Cc1cccc(-c2ccccc2)c1	95935369	LLTKEPIILOJYBU-UHFFFAOYSA-N	198.290	3.701	10	40	AHCB	
Oc1ccc(N=Nc2ccccc2)cc1	12359059	BEYOBVMPDRKTNR-UHFFFAOYSA-N	198.225	3.808	10	40	AHCB	
S=C1C=Cc2cccc3cccc1c23	115189260	SQRUCVOQJURTJL-UHFFFAOYSA-N	196.274	3.585	10	40	AHCB	
CC(=S)c1csc2ccccc12	228956493	WMUOGYQSQVKMJD-UHFFFAOYSA-N	192.308	3.639	10	40	AHCB	
CC12C[C@H]3C[C@H](C1)CC(N=[N+]=[N-])(C3)C2	102986827	ZTZVVHOMAGTOJW-NKVNRFPTSA-N	191.278	3.656	10	40	AHCB	
Nc1ccc(/N=N\c2ccccc2)cc1	100004840	QPQKUYVSJWQSDY-PFONDFGASA-N	197.241	3.684	10	40	AHCB	
S=C(c1ccccc1)C1CCCC1	228968937	QNSQAOJUOJPPAC-UHFFFAOYSA-N	190.311	3.595	10	40	AHCB	
C/C=C\[N+]([O-])=N/[C@H](C)CCCCCC	104155755	FUYKXTQKPBIJNW-RCLNTOESSA-N	198.310	3.841	10	40	AHCB	
Cc1ccc(C)n1[C@H](C)c1ccccc1	8729250	QAWXOZABZNDGFI-CYBMUJFWSA-N	199.297	3.714	10	40	AHCB	
[O-][N+](=Nc1ccccc1)c1ccccc1	100501879	GAUZCKBSTZFWCT-UHFFFAOYSA-N	198.225	3.612	10	40	AHCB	
Cc1cc(Cl)cc2scc(O)c12	100354342	DKYFBPUTEGRWLF-UHFFFAOYSA-N	198.674	3.569	10	40	AHCB	
C/C=C/[N+]([O-])=N/[C@H](C)CCCCCC	1731949	FUYKXTQKPBIJNW-PMXUNTMQSA-N	198.310	3.841	10	40	AHCB	
[N-]=[N+]=NCc1cccc2ccccc12	37206919	YKTNGIJJDQMLQL-UHFFFAOYSA-N	183.214	3.650	10	40	AHCB	
CC/C=C\CC1=C(C)CCC1=S	83310075	IRVMUSROOCPJJU-PLNGDYQASA-N	180.316	3.823	10	40	AHCB	
[O-]/[N+](=N/c1ccccc1)c1ccccc1	100017510	GAUZCKBSTZFWCT-BUHFOSPRSA-N	198.225	3.612	10	40	AHCB	in-vitro
Cc1cc(C)cc(-n2c(C)ccc2C)c1	32009782	VOPJKGKCDWFVCZ-UHFFFAOYSA-N	199.297	3.711	10	40	AHCB	in-vitro
CC(=S)c1ccc2ccccc2c1	38246885	BMMDHBPBFBYJHQ-UHFFFAOYSA-N	186.279	3.578	10	40	AHCB	
Oc1ccccc1N=Nc1ccccc1	253618238	PEXGTUZWTLMFID-UHFFFAOYSA-N	198.225	3.808	10	40	AHCB	
Oc1cccc(N=Nc2ccccc2)c1	250534246	JJDKCHBQWVTFBN-UHFFFAOYSA-N	198.225	3.808	10	40	AHCB	
C/C=C\[N+]([O-])=N\[C@H](C)CCCCCC	17021437	FUYKXTQKPBIJNW-QTRAZNSRSA-N	198.310	3.841	10	40	AHCB	
C/C=C/[N+]([O-])=N\[C@H](C)CCCCCC	104155760	FUYKXTQKPBIJNW-XUMHCGTHSA-N	198.310	3.841	10	40	AHCB	
c1ccc(/N=N/Nc2ccccc2)cc1	18044027	ALIFPGGMJDWMJH-UHFFFAOYSA-N	197.241	3.797	10	40	AHCB	
CC12C[C@@H]3C[C@@H](C1)CC(N=[N+]=[N-])(C3)C2	102986823	ZTZVVHOMAGTOJW-SAAXCQNUSA-N	191.278	3.656	10	40	AHCB	
N#[N+]c1ccc(N=N)c(N=N)c1[N+]#N	368027195	FOYWYCWYQSQIHA-UHFFFAOYSA-N	188.154	3.981	10	40	AHCB	
CCCCCCC(=S)c1ccco1	228964806	AYMLQSYKFDQKHN-UHFFFAOYSA-N	196.315	3.968	10	40	AHCB	
C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](N=N)(C3)C2	584578338	VXUZZDMDUAPIPE-CDECOKDKSA-N	192.306	3.766	10	40	AHCB	
CC(C)(C)C(=S)c1cccs1	205371350	DVZRACGLWNFTIJ-UHFFFAOYSA-N	184.329	3.512	10	40	AHCB	
CC(=S)c1cc2ccccc2s1	238087318	DFMQPEYULSTVSL-UHFFFAOYSA-N	192.308	3.639	10	40	AHCB	
Oc1ccc(/N=N\c2ccccc2)cc1	100010401	BEYOBVMPDRKTNR-YPKPFQOOSA-N	198.225	3.808	10	40	AHCB	
CC12C[C@@H]3C[C@H](C1)CC(N=[N+]=[N-])(C3)C2	17176129	ZTZVVHOMAGTOJW-IXBNRNDTSA-N	191.278	3.656	10	40	AHCB