smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCSc1cccc2c1C(=O)c1cccc(SCC[NH+](C)C)c1C2=O	ZINC000005493425	557657586	/nfs/dbraw/zinc/65/75/86/557657586.db2.gz	JNLZNGGLXBIQHT-UHFFFAOYSA-N	2	2	414.596	3.769	40	10		HHCBLP
CN(C)c1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740469	558801584	/nfs/dbraw/zinc/80/15/84/558801584.db2.gz	HCVIGKNGCABKAL-UHFFFAOYSA-N	2	2	424.637	3.920	40	10		HHCBLP
CN(C)c1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740469	558801586	/nfs/dbraw/zinc/80/15/86/558801586.db2.gz	HCVIGKNGCABKAL-UHFFFAOYSA-N	2	2	424.637	3.920	40	10		HHCBLP
COc1ccccc1C1([NH2+]Cc2ccc(O)c(CN3CC[NH+](C)CC3)c2)CCCC1	ZINC000022915064	558521394	/nfs/dbraw/zinc/52/13/94/558521394.db2.gz	RPPFBSOBPQSHEU-UHFFFAOYSA-N	2	2	409.574	3.707	40	10		HHCBLP
CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1	ZINC000020503730	568619574	/nfs/dbraw/zinc/61/95/74/568619574.db2.gz	IROVNFTTXSLRAT-NNWRFLSQSA-N	2	2	419.573	3.714	40	10	biogenic,in-vitro	HHCBLP
CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1	ZINC000020503730	568619575	/nfs/dbraw/zinc/61/95/75/568619575.db2.gz	IROVNFTTXSLRAT-NNWRFLSQSA-N	2	2	419.573	3.714	40	10	biogenic,in-vitro	HHCBLP