smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1O[C-]([C@H](O)CO)C(=O)C1=O	100082303	OESHPIGALOBJLM-UWTATZPHSA-N	173.100	-2.433	10	1	AACF	in-vitro
O=C1C(=O)[C@H](O)C(=O)[C@@H](O)C1=O	957841243	BKMBRDSUUATCQZ-HWCWNYAQSA-N	172.092	-3.002	10	1	AACF	
C[C@@H]1O[C@H](N=[N+]=N)[C@@H](O)[C@H](O)[C@@H]1O	58631708	UVVVIJNFFIMQDY-KGJVWPDLSA-N	190.179	-1.636	10	1	AACF	in-vitro
O=C1C(=O)[C@@H](O)C(=O)[C@H](O)C1=O	957841244	BKMBRDSUUATCQZ-KQVAGGMYSA-N	172.092	-3.002	10	1	AACF	
CC[C@@H](O)C(=O)C(=O)CO	169722259	AJVRVMOSMHZRLJ-SCSAIBSYSA-N	146.142	-1.112	10	1	AACF	
NC[C@@H](O)C(=O)C(=O)[C@@H](N)CO	169721518	SMARUQIQECPQCK-IUYQGCFVSA-N	176.172	-3.236	10	1	AACF	
NC[C@H](O)C(=O)C(=O)[C@H](N)CO	169721521	SMARUQIQECPQCK-DMTCNVIQSA-N	176.172	-3.236	10	1	AACF	
N=[N+]=CC(=O)C[C@@H](N)C(=O)O	95636152	DJBUTWZIMBKSOL-SCSAIBSYSA-O	158.137	-1.333	10	1	AACF	in-vitro
C[C@@](O)(C(=O)O)C(=O)C(=O)CO	238733407	TYRKOMGEQWLEMQ-LURJTMIESA-N	176.124	-2.048	10	1	AACF	
[N-]=[N+]=NC[C@@H]1NC[C@@H](O)[C@H]1O	1857753466	JUBJRFFISUHZBK-LMVFSUKVSA-N	158.161	-1.010	10	1	AACF	
O=C1C(=O)[C@@H](O)C(=O)[C@@H](O)C1=O	957841245	BKMBRDSUUATCQZ-WIHATJFRSA-N	172.092	-3.002	10	1	AACF	
O=C1C(=O)C(=O)C(O)C(=O)C1=O	136026236	BUOJCLFJVUNUQA-UHFFFAOYSA-N	170.076	-2.794	10	1	AACF	
C[C@](O)(C(=O)O)C(=O)C(=O)CO	2356599310	TYRKOMGEQWLEMQ-ZCFIWIBFSA-N	176.124	-2.048	10	1	AACF	
O=C1C(=O)[C@@H](CO)O[C@H](O)[C@@H]1O	100081192	RGABAAMYLIYGDU-LNFGEOLWSA-N	176.124	-2.805	10	1	AACF	in-vitro
CCN[C@@H]1C(=O)C(=O)[C@H]1NC	22877591	FYAIPBIOBLLUAM-WHFBIAKZSA-N	156.185	-1.296	10	1	AACF	in-vitro
CCN[C@@H]1C(=O)C(=O)[C@@H]1NC	22877597	FYAIPBIOBLLUAM-UHNVWZDZSA-N	156.185	-1.296	10	1	AACF	in-vitro
[N-]=[N+]=C1C(=O)NC(=O)N[C@H]1O	169337942	AYFFYASBMJTCNC-REOHCLBHSA-N	156.101	-2.185	10	1	AACF	
NC(=O)NC=C1C(=O)NC(=O)NC1=O	111929520	CKWHZYMWAGHUND-UHFFFAOYSA-N	198.138	-2.095	10	1	AACF	
O=C1C(=O)C(=O)C(O)C1=O	103688812	WYNWSVZYZJTUNK-UHFFFAOYSA-N	142.066	-2.363	10	1	AACF	
CCN[C@H]1C(=O)C(=O)[C@H]1NC	22877584	FYAIPBIOBLLUAM-CRCLSJGQSA-N	156.185	-1.296	10	1	AACF	in-vitro
NC[C@@H](O)C(=O)C(=O)[C@H](N)CO	169721520	SMARUQIQECPQCK-QWWZWVQMSA-N	176.172	-3.236	10	1	AACF	
NC[C@H](O)C(=O)C(=O)[C@@H](N)CO	169721519	SMARUQIQECPQCK-IMJSIDKUSA-N	176.172	-3.236	10	1	AACF	
[N-]=[N+]=NC[C@H]1NC[C@@H](O)[C@H]1O	1857760865	JUBJRFFISUHZBK-WDCZJNDASA-N	158.161	-1.010	10	1	AACF	
O=C1O[C-]([C@@H](O)CO)C(=O)C1=O	100082301	OESHPIGALOBJLM-REOHCLBHSA-N	173.100	-2.433	10	1	AACF	in-vitro
[N-]=[N+]=C1C(=O)NC(=O)N[C@@H]1O	169337940	AYFFYASBMJTCNC-UWTATZPHSA-N	156.101	-2.185	10	1	AACF	
CCN[C@H]1C(=O)C(=O)[C@@H]1NC	22877589	FYAIPBIOBLLUAM-RFZPGFLSSA-N	156.185	-1.296	10	1	AACF	in-vitro
OCCNc1nnc2nncn2n1	653826098	QXUDVZHOMPCIOA-UHFFFAOYSA-N	181.159	-1.682	10	1	AACF	
O=C1C(=O)[C@@H](CO)O[C@@H](O)[C@@H]1O	100081189	RGABAAMYLIYGDU-BZSWDTDFSA-N	176.124	-2.805	10	1	AACF	in-vitro
CC[C@H](O)C(=O)C(=O)CO	169722260	AJVRVMOSMHZRLJ-BYPYZUCNSA-N	146.142	-1.112	10	1	AACF	
N=[N+]=CC(=O)C[C@H](N)C(=O)O	13547801	DJBUTWZIMBKSOL-BYPYZUCNSA-O	158.137	-1.333	10	1	AACF	in-vitro