smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cc(-c2cccnc2)[nH]n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217950941	537456580	/nfs/dbraw/zinc/45/65/80/537456580.db2.gz	ZYAZVIPARSJJAY-DZGCQCFKSA-N	0	1	361.405	1.893	40	70		FDIBMN
COc1ccc(S(=O)(=O)NCCCN2CCN(C)CC2)cc1C(C)C	ZINC000217036317	525057462	/nfs/dbraw/zinc/05/74/62/525057462.db2.gz	DGQUSPCOPNMDAU-UHFFFAOYSA-N	0	1	369.531	1.734	40	70		FDIBMN
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000217563536	206364774	/nfs/dbraw/zinc/36/47/74/206364774.db2.gz	XVGKXIMOGBSQGX-NWDGAFQWSA-N	0	1	354.435	1.766	40	70		FDIBMN
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000217563536	206364779	/nfs/dbraw/zinc/36/47/79/206364779.db2.gz	XVGKXIMOGBSQGX-NWDGAFQWSA-N	0	1	354.435	1.766	40	70		FDIBMN
O=c1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)nc2sccn21	ZINC000217560947	537455386	/nfs/dbraw/zinc/45/53/86/537455386.db2.gz	XIGIBFSEBMFGPF-QWHCGFSZSA-N	0	1	354.435	1.537	40	70		FDIBMN
CCC(=O)Nc1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1OC	ZINC000216842573	568145842	/nfs/dbraw/zinc/14/58/42/568145842.db2.gz	JVJARCZMVDDOAS-UHFFFAOYSA-N	0	1	355.460	1.416	40	70		FDIBMN