smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C(N)=O	ZINC000026951411	202149861	/nfs/dbraw/zinc/14/98/61/202149861.db2.gz	IEIOMLYCWDWBRV-WDSKDSINSA-N	1	0	332.321	-3.965	1	30		EAEFRO
C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000027311554	212552073	/nfs/dbraw/zinc/55/20/73/212552073.db2.gz	DBKNLHKEVPZVQC-LPEHRKFASA-N	1	0	342.400	-2.052	1	30		EAEFRO
CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[C@H]1C(N)=O	ZINC000035064496	202285803	/nfs/dbraw/zinc/28/58/03/202285803.db2.gz	ZJHWTMVKXAJEHT-VGMNWLOBSA-N	1	0	344.376	-3.136	1	30		EAEFRO
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000048999213	213975443	/nfs/dbraw/zinc/97/54/43/213975443.db2.gz	JZXFEKUNEFNTEZ-WPRPVWTQSA-N	1	0	346.457	-1.710	1	30		EAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CO)NC(=O)CS)C(N)=O	ZINC000049015290	213976834	/nfs/dbraw/zinc/97/68/34/213976834.db2.gz	MSAHLBZGVQSPBT-BQBZGAKWSA-N	1	0	334.402	-3.373	1	30		EAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CS)C(N)=O	ZINC000049017807	213976712	/nfs/dbraw/zinc/97/67/12/213976712.db2.gz	LXGHDLRBHGKZFC-IUCAKERBSA-N	1	0	344.441	-1.859	1	30		EAEFRO
CC(=O)CC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CS)C(N)=O	ZINC000049034368	202614499	/nfs/dbraw/zinc/61/44/99/202614499.db2.gz	BECCNIRDZOEIMJ-QWRGUYRKSA-N	1	0	346.453	-1.131	1	30		EAEFRO
C[C@@H](O)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000049113472	213988769	/nfs/dbraw/zinc/98/87/69/213988769.db2.gz	FVYVATPFAGDCSK-FJXKBIBVSA-N	1	0	348.429	-2.985	1	30		EAEFRO
[NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	ZINC000073224314	216367315	/nfs/dbraw/zinc/36/73/15/216367315.db2.gz	GQDDAOPNVIIXCD-QWRGUYRKSA-N	1	0	334.332	-1.695	1	30		EAEFRO
NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H]1C[C@H]([NH3+])CN1	ZINC000095539807	203761514	/nfs/dbraw/zinc/76/15/14/203761514.db2.gz	ZMBRPIKYQOGCJB-XLPZGREQSA-N	1	0	330.349	-3.478	1	30		EAEFRO
NC(=[NH2+])NCCC[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000146826631	685068595	/nfs/dbraw/zinc/06/85/95/685068595.db2.gz	VXKCPBPQEKKERH-IUCAKERBSA-N	1	0	328.373	-2.441	1	30		EAEFRO