smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000072144323	518998709	/nfs/dbraw/zinc/99/87/09/518998709.db2.gz	NVGRQACRUMGECU-SFHVURJKSA-N	1	0	425.489	1.741	10	30		IDEERO
CCn1c(-c2nonc2N)nc2c1c(CO[C@H]1CCC[NH2+]C1)cnc2C#CC(C)(C)O	ZINC000098052574	568794905	/nfs/dbraw/zinc/79/49/05/568794905.db2.gz	WONPMIMNXYCXKK-AWEZNQCLSA-N	1	0	425.493	1.474	10	30	in-vitro	IDEERO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1cccn1-c1ncccn1)CC2	ZINC000072144324	518997676	/nfs/dbraw/zinc/99/76/76/518997676.db2.gz	NVGRQACRUMGECU-GOSISDBHSA-N	1	0	425.489	1.741	10	30		IDEERO
C#CCOC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1	ZINC000035840861	518307546	/nfs/dbraw/zinc/30/75/46/518307546.db2.gz	HQONHYFSBUFMDO-XMMPIXPASA-N	1	0	441.572	1.690	10	30		IDEERO
C#CCOC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1cccn1Cc1cccc(OC)c1	ZINC000035840859	518301173	/nfs/dbraw/zinc/30/11/73/518301173.db2.gz	HQONHYFSBUFMDO-DEOSSOPVSA-N	1	0	441.572	1.690	10	30		IDEERO
N#Cc1ccccc1Cn1c(=O)c(I)cnc1N1CCC[C@@H]([NH3+])C1	ZINC000066111793	563158903	/nfs/dbraw/zinc/15/89/03/563158903.db2.gz	YXBYVCCJGUUUSI-CQSZACIVSA-N	1	0	435.269	1.695	10	30		IDEERO