smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCN(C(=O)C(C)C)C1CC[NH+](c2ccc(OC)cc2)CC1	ZINC000057744311	136154046	/nfs/dbraw/zinc/15/40/46/136154046.db2.gz	WKRHXNCINSNFAL-UHFFFAOYSA-N	2	2	375.557	3.490	40	10		GGCBLP
C[N@H+](Cc1cc(CC2([NH2+]Cc3ccccc3O)COC2)no1)Cc1ccccc1	ZINC000067898129	210328956	/nfs/dbraw/zinc/32/89/56/210328956.db2.gz	SUENATOCJWVQGZ-UHFFFAOYSA-N	2	2	393.487	3.114	40	10	biogenic,in-vitro	GGCBLP
C[N@@H+](Cc1cc(CC2([NH2+]Cc3ccccc3O)COC2)no1)Cc1ccccc1	ZINC000067898129	210328959	/nfs/dbraw/zinc/32/89/59/210328959.db2.gz	SUENATOCJWVQGZ-UHFFFAOYSA-N	2	2	393.487	3.114	40	10	biogenic,in-vitro	GGCBLP
COc1ccc(C2([NH2+]Cc3ccc(OC)c(C[NH+]4CCOCC4)c3)CC2)cc1	ZINC000012238639	570629546	/nfs/dbraw/zinc/62/95/46/570629546.db2.gz	RLVFRMUHEHAJDB-UHFFFAOYSA-N	2	2	382.504	3.315	40	10		GGCBLP
COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4O)CCN3C(C)(C)C2)cc1	ZINC000253400525	209217215	/nfs/dbraw/zinc/21/72/15/209217215.db2.gz	LHUWQALULPRBPW-NRFANRHFSA-N	2	2	395.547	3.181	40	10	biogenic,in-vitro	GGCBLP
COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4O)CCN3C(C)(C)C2)cc1	ZINC000253400525	209217218	/nfs/dbraw/zinc/21/72/18/209217218.db2.gz	LHUWQALULPRBPW-NRFANRHFSA-N	2	2	395.547	3.181	40	10	biogenic,in-vitro	GGCBLP
COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4O)CCN3C(C)(C)C2)cc1	ZINC000253400525	209217220	/nfs/dbraw/zinc/21/72/20/209217220.db2.gz	LHUWQALULPRBPW-NRFANRHFSA-N	2	2	395.547	3.181	40	10	biogenic,in-vitro	GGCBLP
COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4O)CCN3C(C)(C)C2)cc1	ZINC000253400525	209217222	/nfs/dbraw/zinc/21/72/22/209217222.db2.gz	LHUWQALULPRBPW-NRFANRHFSA-N	2	2	395.547	3.181	40	10	biogenic,in-vitro	GGCBLP
Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2F)CC1	ZINC000019287981	570970517	/nfs/dbraw/zinc/97/05/17/570970517.db2.gz	FTFYTFIIGRERNA-UHFFFAOYSA-N	2	2	386.515	3.348	40	10		GGCBLP