smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C[NH+]2CC3(C2)CC[N@H+](Cc2ccccc2)C3)cc1	ZINC000096070796	454278253	/nfs/dbraw/zinc/27/82/53/454278253.db2.gz	WCVHEOJANQVRES-UHFFFAOYSA-N	2	2	335.495	3.461	40	10		EGCBLP
CN(C)c1ccc(C[NH+]2CC3(C2)CC[N@@H+](Cc2ccccc2)C3)cc1	ZINC000096070796	454278259	/nfs/dbraw/zinc/27/82/59/454278259.db2.gz	WCVHEOJANQVRES-UHFFFAOYSA-N	2	2	335.495	3.461	40	10		EGCBLP
C[NH+](C)CCC[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O	ZINC000013990750	453495551	/nfs/dbraw/zinc/49/55/51/453495551.db2.gz	FJGQDLZMRBASGU-UHFFFAOYSA-N	2	2	333.863	3.395	40	10		EGCBLP
C[NH+](C)CCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1O	ZINC000013990750	453495564	/nfs/dbraw/zinc/49/55/64/453495564.db2.gz	FJGQDLZMRBASGU-UHFFFAOYSA-N	2	2	333.863	3.395	40	10		EGCBLP
C[NH+](C)CCCNc1ccc([N+](=O)[O-])c2[nH+]c3ccccc3c(N)c12	ZINC000031852805	453856414	/nfs/dbraw/zinc/85/64/14/453856414.db2.gz	LCDONRWWUHTTBU-UHFFFAOYSA-N	2	2	339.399	3.242	40	10		EGCBLP