smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)[O-])[C@H](C1)CCCO2	ZINC000067879095	569473107	/nfs/dbraw/zinc/47/31/07/569473107.db2.gz	HDLYJCIQCTWSIQ-OALUTQOASA-N	1	2	446.592	1.886	40	10		IDCBLO
COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4ccc(O)c(O)c4)C3)C2)cc1	ZINC000604381675	557236482	/nfs/dbraw/zinc/23/64/82/557236482.db2.gz	KTKNARDKCHEMLP-LJQANCHMSA-N	1	2	439.512	1.518	40	10	biogenic,in-vitro	IDCBLO
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNCCC[NH+]1CCOCC1	ZINC000109291461	569253527	/nfs/dbraw/zinc/25/35/27/569253527.db2.gz	ABPZGHIHBMDDIS-QBFSEMIESA-N	1	2	426.901	1.423	40	10		IDCBLO
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCC[NH+]1CCOCC1	ZINC000017097459	557479006	/nfs/dbraw/zinc/47/90/06/557479006.db2.gz	WJOHURAYNHBJDI-RGEXLXHISA-N	1	2	431.449	1.056	40	10		IDCBLO
CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)s1	ZINC000222828244	557391104	/nfs/dbraw/zinc/39/11/04/557391104.db2.gz	GZIQDBYTJGIONG-UHFFFAOYSA-N	1	2	438.579	1.363	40	10		IDCBLO
O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccc(O)c(O)c3)C2)C1	ZINC000604381945	557236754	/nfs/dbraw/zinc/23/67/54/557236754.db2.gz	WDIPBTPUCYVCKF-QGZVFWFLSA-N	1	2	427.476	1.648	40	10	biogenic,in-vitro	IDCBLO
COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C[NH+](Cc4ccc(O)c(O)c4)C3)C2)c1	ZINC000604382080	557236824	/nfs/dbraw/zinc/23/68/24/557236824.db2.gz	CLOQXJUQRNOCPO-LJQANCHMSA-N	1	2	439.512	1.518	40	10	biogenic,in-vitro	IDCBLO