smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)Cc2ccccc2-c2nc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)[nH]c(=O)c21	ZINC000217559843	557171464	/nfs/dbraw/zinc/17/14/64/557171464.db2.gz	SLGXSNNENSNSAR-FUHWJXTLSA-N	1	1	428.536	3.052	40	70		IGIBMO
CC1(C)Cc2ccccc2-c2nc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)[nH]c(=O)c21	ZINC000217559843	557171467	/nfs/dbraw/zinc/17/14/67/557171467.db2.gz	SLGXSNNENSNSAR-FUHWJXTLSA-N	1	1	428.536	3.052	40	70		IGIBMO
CC(C)(C)c1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1	ZINC000218561482	557207601	/nfs/dbraw/zinc/20/76/01/557207601.db2.gz	MLCOGDDYRXSZIA-UHFFFAOYSA-N	1	1	443.613	3.095	40	70		IGIBMO
CSc1nc(Nc2ccc(I)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851350	557157433	/nfs/dbraw/zinc/15/74/33/557157433.db2.gz	ZYNYSNKNQDVYIU-UHFFFAOYSA-N	1	1	441.342	3.299	40	70		IGIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)COc2ccc(OCc3ccccc3)cc2)C1	ZINC000217432221	557168888	/nfs/dbraw/zinc/16/88/88/557168888.db2.gz	RVDSIYWSIMQRIE-ZRBLBEILSA-N	1	1	446.547	3.286	40	70		IGIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)COc2ccc(OCc3ccccc3)cc2)C1	ZINC000217432302	557169289	/nfs/dbraw/zinc/16/92/89/557169289.db2.gz	RVDSIYWSIMQRIE-YTFSRNRJSA-N	1	1	446.547	3.286	40	70		IGIBMO