smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C=CSc3n[n-]c(=O)c(=O)n3CC=O)CS[C@H]12)c1csc(N)n1	ZINC000004215269	552449836	/nfs/dbraw/zinc/44/98/36/552449836.db2.gz	WJXAHFZIHLTPFR-JLRJEBFFSA-N	-2	1	594.613	-1.436	10	30	in-man	KAEEML
CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000038385224	554274735	/nfs/dbraw/zinc/27/47/35/554274735.db2.gz	WMOHCDYSWGUDJC-ASHKBJFXSA-N	-2	1	517.540	-3.098	10	30		KAEEML
CC(C)(O/N=C(\C(=O)N[C@@H]1CN(C(=O)[N-]S(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)[O-]	ZINC000072266920	562733033	/nfs/dbraw/zinc/73/30/33/562733033.db2.gz	JXSPWQGYERHATM-VTZNZGPOSA-N	-2	1	684.626	-2.729	10	30	in-man	KAEEML
CC(C)(O/N=C(\C(=O)N[C@H]1CN(C(=O)[N-]S(=O)(=O)N2CCN(NC(=O)c3cc(=O)c(O)c[nH]3)C2=O)C1=O)c1csc(N)n1)C(=O)[O-]	ZINC000072266921	562733045	/nfs/dbraw/zinc/73/30/45/562733045.db2.gz	JXSPWQGYERHATM-ZLTOHFCISA-N	-2	1	684.626	-2.729	10	30	in-man	KAEEML
Nc1nc2ncc(CN=C3C=CC(C(=O)N[C@H](CCC(=O)NC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-])C(=O)[O-])=CC3)nc2c(=O)[nH]1	ZINC000653633711	562905858	/nfs/dbraw/zinc/90/58/58/562905858.db2.gz	QAGAWTSQCLFTNA-MHORFTMASA-N	-2	1	745.732	-2.731	10	30		KAEEML