smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1[C@@H](Nc1cccc[nH+]1)c1c[nH]c2ccccc21	ZINC000019419689	182122563	/nfs/dbraw/zinc/12/25/63/182122563.db2.gz	CMPDNGISVJSAJF-HXUWFJFHSA-N	1	2	315.376	4.470	40	10		DICBLO
Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc([NH+](C)C)cc1	ZINC000228929129	1051948115	/nfs/dbraw/zinc/94/81/15/1051948115.db2.gz	CWELLYQJNRBQQX-UHFFFAOYSA-N	1	2	321.380	4.427	40	10		DICBLO
CCOc1cc2[nH+]ccc(Oc3ccc(N)cc3)c2cc1OCC	ZINC000064875282	257127885	/nfs/dbraw/zinc/12/78/85/257127885.db2.gz	MMRPUZRCXASFCX-UHFFFAOYSA-N	1	2	324.380	4.407	40	10		DICBLO
Cc1ccc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc([NH+](C)C)cc1	ZINC000228925907	1051949204	/nfs/dbraw/zinc/94/92/04/1051949204.db2.gz	RNGTUWSQERYZHI-UHFFFAOYSA-N	1	2	321.380	4.427	40	10		DICBLO
Clc1ccccc1N1CC[NH+](C2=Cc3ccccc3C2)CC1	ZINC000055145591	563471900	/nfs/dbraw/zinc/47/19/00/563471900.db2.gz	DJXHPKDUZOEANH-UHFFFAOYSA-N	1	2	310.828	4.059	40	10		DICBLO
Oc1ccccc1[C@H](Nc1cccc[nH+]1)c1c[nH]c2ccccc21	ZINC000019419691	182122530	/nfs/dbraw/zinc/12/25/30/182122530.db2.gz	CMPDNGISVJSAJF-FQEVSTJZSA-N	1	2	315.376	4.470	40	10		DICBLO