smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c2ncccc12	ZINC000006804062	132317776	/nfs/dbraw/zinc/31/77/76/132317776.db2.gz	LLQHRKRHUJUPPY-UHFFFAOYSA-N	1	0	407.514	3.808	10	10		HHCERO
Oc1cc2c(c(Br)c1O)CC[NH2+]C[C@@H]2c1ccc(Br)cc1	ZINC000021983460	526334139	/nfs/dbraw/zinc/33/41/39/526334139.db2.gz	DUBJDOZBQUEQJJ-CYBMUJFWSA-N	1	0	413.109	3.900	10	10		HHCERO
COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)c1	ZINC000011910076	558296600	/nfs/dbraw/zinc/29/66/00/558296600.db2.gz	ZMCKTPWQEABINW-GCJKJVERSA-N	1	0	412.505	3.596	10	10		HHCERO
Oc1cc2c(c(Br)c1O)CC[NH2+]C[C@H]2c1ccc(Br)cc1	ZINC000021983462	526335351	/nfs/dbraw/zinc/33/53/51/526335351.db2.gz	DUBJDOZBQUEQJJ-ZDUSSCGKSA-N	1	0	413.109	3.900	10	10		HHCERO
CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCCC4)cc2)CC1	ZINC000020927757	568651619	/nfs/dbraw/zinc/65/16/19/568651619.db2.gz	NNQZHJRSQXXUKJ-UHFFFAOYSA-N	1	0	422.617	3.812	10	10		HHCERO