smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)CC1	ZINC000161188949	376400571	/nfs/dbraw/zinc/40/05/71/376400571.db2.gz	PTKCTEAMNYXOIA-UHFFFAOYSA-N	2	2	317.437	-0.027	20	70		DBIDLP
C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000159858584	374432937	/nfs/dbraw/zinc/43/29/37/374432937.db2.gz	MBJDVOUFANOIMN-VIFPVBQESA-N	2	2	310.320	-0.583	20	70		DBIDLP
C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000159858584	374432944	/nfs/dbraw/zinc/43/29/44/374432944.db2.gz	MBJDVOUFANOIMN-VIFPVBQESA-N	2	2	310.320	-0.583	20	70		DBIDLP
Cc1[nH+]ccn1CCCC[NH+]1CCN(S(N)(=O)=O)CC1	ZINC000161347683	376404193	/nfs/dbraw/zinc/40/41/93/376404193.db2.gz	SEOQDCDDDDJJFP-UHFFFAOYSA-N	2	2	301.416	-0.207	20	70		DBIDLP
COC(=O)CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161368703	382212946	/nfs/dbraw/zinc/21/29/46/382212946.db2.gz	HZYDUHIBNFHNHS-UHFFFAOYSA-N	2	2	306.366	-0.117	20	70		DBIDLP
O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNC(=O)C1	ZINC000161362344	544841982	/nfs/dbraw/zinc/84/19/82/544841982.db2.gz	NHWFEDKJHOIFHU-UHFFFAOYSA-N	2	2	303.366	-0.838	20	70		DBIDLP
C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000159858721	376785962	/nfs/dbraw/zinc/78/59/62/376785962.db2.gz	MBJDVOUFANOIMN-SECBINFHSA-N	2	2	310.320	-0.583	20	70		DBIDLP
C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000159858721	376785968	/nfs/dbraw/zinc/78/59/68/376785968.db2.gz	MBJDVOUFANOIMN-SECBINFHSA-N	2	2	310.320	-0.583	20	70		DBIDLP
NS(=O)(=O)CC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000161437213	376409202	/nfs/dbraw/zinc/40/92/02/376409202.db2.gz	WWOPBAHNMJFWMC-UHFFFAOYSA-N	2	2	318.487	-0.232	20	70		DBIDLP