smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccccc1C[NH+]1CCN(/N=C\c2cccc(Oc3ccccc3)c2)CC1	ZINC000019771415	558279935	/nfs/dbraw/zinc/27/99/35/558279935.db2.gz	PYRLZHYFPZPDCN-ITYLOYPMSA-N	1	2	405.929	5.284	10	30		HKEELO
Cc1ccccc1Nc1c([N+](=O)[O-])c(C=[NH+]Nc2ccccc2)nn1-c1ccccc1	ZINC000027571345	525274281	/nfs/dbraw/zinc/27/42/81/525274281.db2.gz	DMUHXEXOWBSDAA-JLPGSUDCSA-N	1	2	412.453	5.279	10	30		HKEELO
C(=[NH+]/N(c1ccccc1)c1ccccc1)\c1ccc2c(c1)CCCN2c1ccccc1	ZINC000034303412	518376211	/nfs/dbraw/zinc/37/62/11/518376211.db2.gz	MGVOXDNHVAEIHH-QUPMIFSKSA-N	1	2	403.529	6.943	10	30		HKEELO
C=CCN(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccs1	ZINC000035979827	518801846	/nfs/dbraw/zinc/80/18/46/518801846.db2.gz	DPUVQFSYYDSPGI-UHFFFAOYSA-N	1	2	406.338	5.128	10	30		HKEELO
C=CCCC(O)(CCC=C)c1ccc(C[N@@H+](CCOC)Cc2ccccc2F)o1	ZINC000036167862	518695945	/nfs/dbraw/zinc/69/59/45/518695945.db2.gz	CHJOVBOJGRSPGR-UHFFFAOYSA-N	1	2	401.522	5.187	10	30		HKEELO
C=CCCC(O)(CCC=C)c1ccc(C[N@H+](CCOC)Cc2ccccc2F)o1	ZINC000036167862	518695950	/nfs/dbraw/zinc/69/59/50/518695950.db2.gz	CHJOVBOJGRSPGR-UHFFFAOYSA-N	1	2	401.522	5.187	10	30		HKEELO