smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#[N+]CC(=O)[C@@H]1OC12CCCCC2	4085795	534974490	/nfs/dbraw/zinc/97/44/90/534974490.db2.gz	WKWCSRYSXBXTIG-QMMMGPOBSA-N	1	1	180.207	0.958	40	10		ACCBMO
N#[N+]CC(=O)[C@H]1OC12CCCCC2	4085796	534974910	/nfs/dbraw/zinc/97/49/10/534974910.db2.gz	WKWCSRYSXBXTIG-MRVPVSSYSA-N	1	1	180.207	0.958	40	10		ACCBMO
C[NH+](C)Cc1cc(O)c(O)c(C=O)c1	6625023	343015526	/nfs/dbraw/zinc/01/55/26/343015526.db2.gz	RCAZDDDZXFGQBR-UHFFFAOYSA-N	1	1	195.218	0.972	40	10		ACCBMO
C[NH2+]Cc1cc(C(=O)OC)ccc1O	96530238	168016015	/nfs/dbraw/zinc/01/60/15/168016015.db2.gz	NKHAXJPBXUJGEH-UHFFFAOYSA-N	1	1	195.218	0.898	40	10		ACCBMO
Cc1cc(O)nc(O)c1C(N)=[NH2+]	6420595	168776398	/nfs/dbraw/zinc/77/63/98/168776398.db2.gz	UFMARGMMVYPFDP-UHFFFAOYSA-N	1	1	167.168	0.085	40	10		ACCBMO
[NH3+]CCNCc1ccccc1O	33650002	169191021	/nfs/dbraw/zinc/19/10/21/169191021.db2.gz	ZJSCDDIGFJQVAC-UHFFFAOYSA-N	1	1	166.224	0.441	40	10		ACCBMO
[NH3+][C@@H](CO)c1ccc(F)cc1O	72197355	169245791	/nfs/dbraw/zinc/24/57/91/169245791.db2.gz	IJPXZLSYUCMUFT-ZETCQYMHSA-N	1	1	171.171	0.523	40	10		ACCBMO
C[NH+](C)Cc1cc(C=O)cc(N)c1O	225721602	351798838	/nfs/dbraw/zinc/79/88/38/351798838.db2.gz	HFWYYJCEEBWPEB-UHFFFAOYSA-N	1	1	194.234	0.849	40	10		ACCBMO
Nc1cc(C=O)cc(C[NH3+])c1O	225721395	351799038	/nfs/dbraw/zinc/79/90/38/351799038.db2.gz	SGJSQJQQJZNDTH-UHFFFAOYSA-N	1	1	166.180	0.246	40	10		ACCBMO