smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	1532585	AUNGANRZJHBGPY-MBNYWOFBSA-N	376.369	-1.724	5	50	GABA	in-man
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1Cl	4430211	JANFBIHPDDCAJV-LOWVWBTDSA-N	396.787	-1.379	5	50	GABA	
Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO	2004116	MQQMUVNIJRTNJX-LOWVWBTDSA-N	396.787	-1.379	5	50	GABA	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	3650334	AUNGANRZJHBGPY-SGMGOOAPSA-N	376.369	-1.724	5	50	GABA	biogenic,in-vitro
C[C@]1(NC(=O)CC[N+]2(C)CCOCC2)CS(=O)(=O)C[C@H]1S(=O)(=O)O	12384502	XPELZPVXBUSJKD-YPMHNXCESA-O	385.484	-1.587	5	50	GABA	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	2036848	AUNGANRZJHBGPY-SCRDCRAPSA-N	376.369	-1.724	5	50	GABA	endogenous,fda
O=C(O)CCC(CN1CC([N+](=O)[O-])([N+](=O)[O-])CCC1=O)([N+](=O)[O-])[N+](=O)[O-]	110032089	FUAHWIXNXHTBJZ-UHFFFAOYSA-N	379.238	-1.027	5	50	GABA	
C[C@]1(NC(=O)CC[N+]2(C)CCOCC2)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2350669	XPELZPVXBUSJKD-AAEUAGOBSA-O	385.484	-1.587	5	50	GABA	
Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	13542423	RGUVADPNZLSRIL-GUTXKFCHSA-N	390.396	-1.713	5	50	GABA	
C[C@@]1(NC(=O)CC[N+]2(C)CCOCC2)CS(=O)(=O)C[C@H]1S(=O)(=O)O	12384503	XPELZPVXBUSJKD-DGCLKSJQSA-O	385.484	-1.587	5	50	GABA	
C[C@@]1(NC(=O)CC[N+]2(C)CCOCC2)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2350668	XPELZPVXBUSJKD-WCQYABFASA-O	385.484	-1.587	5	50	GABA	
CNC(=O)C(=O)NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	19774821	OOKYUOMZUGXBQV-UHFFFAOYSA-N	399.429	-1.237	5	50	GABA	
O=C1NC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)NC(=O)NC2=O)C(=O)N1	1863755	LGTXWGDXVMTLMI-UHFFFAOYSA-N	389.280	-1.357	5	50	GABA	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C	1769096	AUNGANRZJHBGPY-OBJOEFQTSA-N	376.369	-1.724	5	50	GABA	biogenic,in-vitro
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	3831423	AUNGANRZJHBGPY-OUCADQQQSA-N	376.369	-1.724	5	50	GABA	biogenic,in-vitro