smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc43)CC1)C2	ZINC000100057062	568839573	/nfs/dbraw/zinc/83/95/73/568839573.db2.gz	OLWRVVHPJFLNPW-RZJSWYKGSA-N	0	3	438.575	4.843	10	30	in-vitro	IJEEHN
C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000022812788	563025663	/nfs/dbraw/zinc/02/56/63/563025663.db2.gz	KQWVAUSXZDRQPZ-VHFRWLAGSA-N	0	3	449.639	4.847	10	30		IJEEHN
C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000022795194	518872847	/nfs/dbraw/zinc/87/28/47/518872847.db2.gz	KQWVAUSXZDRQPZ-BERHBOFZSA-N	0	3	449.639	4.847	10	30	in-vitro	IJEEHN
C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C	ZINC000019365699	563022702	/nfs/dbraw/zinc/02/27/02/563022702.db2.gz	KQWVAUSXZDRQPZ-VHSZZVNMSA-N	0	3	449.639	4.847	10	30	in-vitro	IJEEHN
C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C	ZINC000022795202	518871813	/nfs/dbraw/zinc/87/18/13/518871813.db2.gz	KQWVAUSXZDRQPZ-BCQCSXDESA-N	0	3	449.639	4.847	10	30	in-vitro	IJEEHN