smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)=[NH+]C	ZINC000090064811	187273877	/nfs/dbraw/zinc/27/38/77/187273877.db2.gz	LKHXPIBXTGKROG-MNOVXSKESA-N	2	1	240.351	0.035	40	30		BCEBMP
CNC(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)=[NH+]C	ZINC000090064811	187273879	/nfs/dbraw/zinc/27/38/79/187273879.db2.gz	LKHXPIBXTGKROG-MNOVXSKESA-N	2	1	240.351	0.035	40	30		BCEBMP
Cn1ccnc1Cn1c(C#N)cc(N)c1[NH+](C)C	ZINC000225863508	388848232	/nfs/dbraw/zinc/84/82/32/388848232.db2.gz	OGJRFWKQXFJEQM-UHFFFAOYSA-N	2	1	244.302	0.790	40	30		BCEBMP
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(C#N)c1	ZINC000017428337	534960814	/nfs/dbraw/zinc/96/08/14/534960814.db2.gz	NCLZDLNUFXETQQ-UHFFFAOYSA-N	2	1	242.286	0.744	40	30		BCEBMP
CNC(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)=[NH+]C	ZINC000253370052	524038601	/nfs/dbraw/zinc/03/86/01/524038601.db2.gz	LKHXPIBXTGKROG-QWRGUYRKSA-N	2	1	240.351	0.035	40	30		BCEBMP
CNC(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)=[NH+]C	ZINC000253370052	524038604	/nfs/dbraw/zinc/03/86/04/524038604.db2.gz	LKHXPIBXTGKROG-QWRGUYRKSA-N	2	1	240.351	0.035	40	30		BCEBMP