smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1	ZINC000028892976	563068611	/nfs/dbraw/zinc/06/86/11/563068611.db2.gz	LMCJCKKIGOGRRE-RUZDIDTESA-N	2	0	441.572	4.921	1	5		IJBFRP
Cc1cc(NCCCC[NH3+])c2ccc3c(ccc4c(NCCCC[NH3+])cc(C)nc43)c2n1	ZINC000071318265	563162051	/nfs/dbraw/zinc/16/20/51/563162051.db2.gz	YQVFBBFVXPSMHL-UHFFFAOYSA-N	2	0	430.600	4.855	1	5		IJBFRP
CCC[C@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1	ZINC000005649353	717100213	/nfs/dbraw/zinc/10/02/13/717100213.db2.gz	DQMXSNBQHYSHQS-RUZDIDTESA-N	2	0	428.661	4.983	1	5	endogenous,in-man	IJBFRP
CCC[C@@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1	ZINC000005648851	717100364	/nfs/dbraw/zinc/10/03/64/717100364.db2.gz	DQMXSNBQHYSHQS-VWLOTQADSA-N	2	0	428.661	4.983	1	5	endogenous,in-man	IJBFRP
CC[NH+](CC)CCn1c2ccccc2c2c1c(=O)c1ccccc1n2CC[NH+](CC)CC	ZINC000064549320	563155598	/nfs/dbraw/zinc/15/55/98/563155598.db2.gz	AAZKSZMRLNUZMW-UHFFFAOYSA-N	2	0	432.612	4.793	1	5		IJBFRP
CC[NH+](CC)CCOc1ccc2c(c1)n(CC[NH+](CC)CC)c1cc(Cl)ccc1c2=O	ZINC000043176008	563119166	/nfs/dbraw/zinc/11/91/66/563119166.db2.gz	HBYNOUHPMCAFIO-UHFFFAOYSA-N	2	0	444.019	4.871	1	5	in-vivo	IJBFRP
[NH3+]CCCCCCOc1ccc2oc3ccc(OCCCCCC[NH3+])cc3c(=O)c2c1	ZINC000095595027	563191198	/nfs/dbraw/zinc/19/11/98/563191198.db2.gz	PCXSGILLBJCPIV-UHFFFAOYSA-N	2	0	426.557	4.742	1	5		IJBFRP
C[NH+](C)CC[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1	ZINC000028892981	563068573	/nfs/dbraw/zinc/06/85/73/563068573.db2.gz	LMCJCKKIGOGRRE-VWLOTQADSA-N	2	0	441.572	4.921	1	5		IJBFRP
[NH3+]CCCC[NH2+]CCCC[NH2+]CCCCC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000013522192	562991338	/nfs/dbraw/zinc/99/13/38/562991338.db2.gz	QEKGYVUHZFNUIE-UHFFFAOYSA-N	4	0	434.672	4.951	1	5		IJBFRP