smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C[NH+](C)C)Oc1ccc(O[C@@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000004783347	557597582	/nfs/dbraw/zinc/59/75/82/557597582.db2.gz	BHJBHNPPUHUGQH-HOTGVXAUSA-N	2	0	410.514	3.120	40	10		HGCBRP
C[NH+](C)CCCOc1cccc2c1C(=O)c1c(OCCC[NH+](C)C)cccc1C2=O	ZINC000004783345	557597594	/nfs/dbraw/zinc/59/75/94/557597594.db2.gz	WYALCKNWMZWZCV-UHFFFAOYSA-N	2	0	410.514	3.123	40	10		HGCBRP
C[C@H](C[NH+](C)C)Oc1ccc(O[C@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000004783350	557597616	/nfs/dbraw/zinc/59/76/16/557597616.db2.gz	BHJBHNPPUHUGQH-HZPDHXFCSA-N	2	0	410.514	3.120	40	10		HGCBRP
COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1C[NH+](C)C	ZINC000012182527	558343372	/nfs/dbraw/zinc/34/33/72/558343372.db2.gz	QMOJZSQTXLHMDR-KNQAVFIVSA-N	2	0	403.473	3.145	40	10		HGCBRP
C[NH+](C)CCCOc1ccc(OCCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000004783344	557597534	/nfs/dbraw/zinc/59/75/34/557597534.db2.gz	GGYJBLLDZHXFMM-UHFFFAOYSA-N	2	0	410.514	3.123	40	10		HGCBRP
C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602641	568520108	/nfs/dbraw/zinc/52/01/08/568520108.db2.gz	FZNGAKOYPSCHND-QFIPXVFZSA-N	2	0	424.564	3.106	40	10		HGCBRP
C[C@H](C[NH+](C)C)Oc1ccc(O[C@@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000004783348	557597571	/nfs/dbraw/zinc/59/75/71/557597571.db2.gz	BHJBHNPPUHUGQH-IYBDPMFKSA-N	2	0	410.514	3.120	40	10		HGCBRP
C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602587	568520134	/nfs/dbraw/zinc/52/01/34/568520134.db2.gz	FZNGAKOYPSCHND-JOCHJYFZSA-N	2	0	424.564	3.106	40	10		HGCBRP