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](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274071	554488087	/nfs/dbraw/zinc/48/80/87/554488087.db2.gz	CAJXYXPLLJDEOB-SLFFLAALSA-N	2	0	478.594	1.661	50	5		JDBARP
C[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)CC1	ZINC000020575053	555830089	/nfs/dbraw/zinc/83/00/89/555830089.db2.gz	JCQBFTWVSLIIQJ-UHFFFAOYSA-N	2	0	455.563	1.615	50	5		JDBARP
C[N+](C)(C)CCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCC[N+](C)(C)C)cc2)cc1	ZINC000031623448	556400399	/nfs/dbraw/zinc/40/03/99/556400399.db2.gz	MSATXFBHQVVODW-UHFFFAOYSA-N	2	0	484.688	1.323	50	5		JDBARP
CC(C)(c1ccc(OC[C@@H](O)C[N+](C)(C)[NH3+])cc1)c1ccc(OC[C@@H](O)C[N+](C)(C)[NH3+])cc1	ZINC000023115467	519379563	/nfs/dbraw/zinc/37/95/63/519379563.db2.gz	DIUVSTYVBVKWSX-VXKWHMMOSA-N	4	0	462.635	1.392	50	5		JDBARP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013542123	555489520	/nfs/dbraw/zinc/48/95/20/555489520.db2.gz	CAJXYXPLLJDEOB-UFYCRDLUSA-N	2	0	478.594	1.661	50	5		JDBARP
CC(C)(c1ccc(OC[C@H](O)C[N+](C)(C)[NH3+])cc1)c1ccc(OC[C@@H](O)C[N+](C)(C)[NH3+])cc1	ZINC000023115469	556011820	/nfs/dbraw/zinc/01/18/20/556011820.db2.gz	DIUVSTYVBVKWSX-SZPZYZBQSA-N	4	0	462.635	1.392	50	5		JDBARP
CC(C)(c1ccc(OC[C@H](O)C[N+](C)(C)[NH3+])cc1)c1ccc(OC[C@H](O)C[N+](C)(C)[NH3+])cc1	ZINC000023115470	556011936	/nfs/dbraw/zinc/01/19/36/556011936.db2.gz	DIUVSTYVBVKWSX-FGZHOGPDSA-N	4	0	462.635	1.392	50	5		JDBARP
CC(C)C[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274073	554488017	/nfs/dbraw/zinc/48/80/17/554488017.db2.gz	CAJXYXPLLJDEOB-HSALFYBXSA-N	2	0	478.594	1.661	50	5		JDBARP
C[N+](C)(C)CCCn1c(=O)c2ccc3c(=O)n(CCC[N+](C)(C)C)c(=O)c4ccc(c1=O)c2c34	ZINC000028640060	556338606	/nfs/dbraw/zinc/33/86/06/556338606.db2.gz	YSMBYNIEQVAJHF-UHFFFAOYSA-N	2	0	466.582	1.258	50	5		JDBARP
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000247722775	570068997	/nfs/dbraw/zinc/06/89/97/570068997.db2.gz	CAJXYXPLLJDEOB-AABGKKOBSA-N	2	0	478.594	1.661	50	5		JDBARP