smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](C(=O)NO)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000052971611	205188312	/nfs/dbraw/zinc/18/83/12/205188312.db2.gz	MBFCDOYJDGSBOG-KRWDZBQOSA-N	1	1	368.437	0.753	1	30		FCEFMO
CC[C@H](C)[C@H]([NH2+]C[C@@H](N)CS)C(=O)N[C@H](CO)Cc1ccccc1	ZINC000036330460	208155377	/nfs/dbraw/zinc/15/53/77/208155377.db2.gz	LQIGMEPVLSMWQX-ORQFMDKSSA-N	1	1	353.532	0.968	1	30		FCEFMO
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(NC(=O)CS)CCC(=O)[C@@H]3O5	ZINC000013736733	211055459	/nfs/dbraw/zinc/05/54/59/211055459.db2.gz	IFWCCHXFUMLVAF-WEZQJLTASA-N	1	1	374.462	0.799	1	30		FCEFMO
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N/C(N)=[NH+]\O)C1	ZINC000103262271	222329245	/nfs/dbraw/zinc/32/92/45/222329245.db2.gz	DAKYBSAHWDBGLY-RRFJBIMHSA-N	1	1	370.450	0.620	1	30		FCEFMO
C=C[C@@]1(O)C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@@H]2NC(=O)C1	ZINC000095099436	560062423	/nfs/dbraw/zinc/06/24/23/560062423.db2.gz	GCZKTIYYMLKKFY-SGUWUFQGSA-N	1	1	358.438	0.644	1	30	biogenic,in-vitro	FCEFMO