smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000013646340	211046172	/nfs/dbraw/zinc/04/61/72/211046172.db2.gz	LJHGALIOHLRRQN-DCAQKATOSA-N	0	3	358.443	-1.513	1	30		FAEFHN
[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000027764872	220547139	/nfs/dbraw/zinc/54/71/39/220547139.db2.gz	RZVCQXPIUDYYLX-XLPZGREQSA-N	0	3	356.347	-2.127	1	30		FAEFHN
[N-]=[N+]=N[C@H]1CN[C@@H](C(=O)C[C@@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000053243806	205192757	/nfs/dbraw/zinc/19/27/57/205192757.db2.gz	FFVKGWXPOSRUAD-IWSPIJDZSA-N	0	3	355.359	-1.036	1	30		FAEFHN
[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)C[C@@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	ZINC000053243808	221045289	/nfs/dbraw/zinc/04/52/89/221045289.db2.gz	FFVKGWXPOSRUAD-HRDYMLBCSA-N	0	3	355.359	-1.036	1	30		FAEFHN
CN(C(=O)C[C@@H](N)CC=C([O-])NC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099233	221241315	/nfs/dbraw/zinc/24/13/15/221241315.db2.gz	TXZGIBIXTQYMTR-NKWVEPMBSA-N	0	3	369.386	-2.895	1	30		FAEFHN
CN(C(=O)C[C@@H](N)CC=C([O-])NC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066099236	205364731	/nfs/dbraw/zinc/36/47/31/205364731.db2.gz	TXZGIBIXTQYMTR-BQBZGAKWSA-N	0	3	369.386	-2.895	1	30		FAEFHN
CN(C(=O)C[C@H](CCCC[NH3+])NC=O)[C@@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066157301	221243218	/nfs/dbraw/zinc/24/32/18/221243218.db2.gz	CESXZEKHSUANEE-VHSXEESVSA-N	0	3	355.399	-1.559	1	30		FAEFHN
CN(C(=O)C[C@H](CCCC[NH3+])NC=O)[C@H]1CNC(=NC(N)=O)[N-]C1=O	ZINC000066157303	221242821	/nfs/dbraw/zinc/24/28/21/221242821.db2.gz	CESXZEKHSUANEE-UWVGGRQHSA-N	0	3	355.399	-1.559	1	30		FAEFHN