smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O	ZINC000055109239	849971741	/nfs/dbraw/zinc/97/17/41/849971741.db2.gz	KUZICGMPDPCKQW-HXUWFJFHSA-N	2	0	400.538	4.317	50	10		HICARP
COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(Cl)ccc3O)C2)cc1	ZINC000055061115	558871102	/nfs/dbraw/zinc/87/11/02/558871102.db2.gz	SZSIGUSJAAIMHM-IBGZPJMESA-N	2	0	402.966	4.441	50	10		HICARP
CCOc1cccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c1O	ZINC000012459674	568756491	/nfs/dbraw/zinc/75/64/91/568756491.db2.gz	IHHXSMQLSYLJJM-UHFFFAOYSA-N	2	0	412.574	4.186	50	10		HICARP
COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(Cl)ccc3O)C2)cc1	ZINC000055061116	558871183	/nfs/dbraw/zinc/87/11/83/558871183.db2.gz	SZSIGUSJAAIMHM-LJQANCHMSA-N	2	0	402.966	4.441	50	10		HICARP
COc1cccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1O	ZINC000011817863	558281204	/nfs/dbraw/zinc/28/12/04/558281204.db2.gz	YSJXSZUFSYXOCG-UHFFFAOYSA-N	2	0	402.966	4.441	50	10		HICARP
CCOC(=O)c1c(C[NH+](CC)CC)n(-c2ccccc2)c2ccc(O)c(C[NH+](C)C)c21	ZINC000001422611	568938390	/nfs/dbraw/zinc/93/83/90/568938390.db2.gz	VFFMWXAUNWCOQC-UHFFFAOYSA-N	2	0	423.557	4.416	50	10		HICARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(Cl)ccc3O)CC2)cc1	ZINC000012705024	558449546	/nfs/dbraw/zinc/44/95/46/558449546.db2.gz	WPIUPQDCEJEJCK-UHFFFAOYSA-N	2	0	402.966	4.441	50	10		HICARP
COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1O	ZINC000012715180	845885177	/nfs/dbraw/zinc/88/51/77/845885177.db2.gz	CXQHGIZNIXYSES-IBGZPJMESA-N	2	0	402.966	4.441	50	10		HICARP
CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1O	ZINC000055109237	849972104	/nfs/dbraw/zinc/97/21/04/849972104.db2.gz	KUZICGMPDPCKQW-FQEVSTJZSA-N	2	0	400.538	4.317	50	10		HICARP
COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)c1O	ZINC000012715183	845885302	/nfs/dbraw/zinc/88/53/02/845885302.db2.gz	CXQHGIZNIXYSES-LJQANCHMSA-N	2	0	402.966	4.441	50	10		HICARP