smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(Cc1ncn[n-]1)N[C@H]1CC[NH2+]C1	170619035	169132155	/nfs/dbraw/zinc/13/21/55/169132155.db2.gz	MDQHNLLSUYCCDD-LURJTMIESA-N	1	3	194.242	-0.934	50	30		ABEAHO
[NH2+]=C(Cc1nnc[n-]1)N[C@H]1CC[NH2+]C1	170619035	169132157	/nfs/dbraw/zinc/13/21/57/169132157.db2.gz	MDQHNLLSUYCCDD-LURJTMIESA-N	1	3	194.242	-0.934	50	30		ABEAHO
[NH2+]=C(Cc1ncn[n-]1)N[C@@H]1CC[NH2+]C1	170619034	169132446	/nfs/dbraw/zinc/13/24/46/169132446.db2.gz	MDQHNLLSUYCCDD-ZCFIWIBFSA-N	1	3	194.242	-0.934	50	30		ABEAHO
[NH2+]=C(Cc1nnc[n-]1)N[C@@H]1CC[NH2+]C1	170619034	169132448	/nfs/dbraw/zinc/13/24/48/169132448.db2.gz	MDQHNLLSUYCCDD-ZCFIWIBFSA-N	1	3	194.242	-0.934	50	30		ABEAHO
[NH3+]CCCNCCS	4097420	169183103	/nfs/dbraw/zinc/18/31/03/169183103.db2.gz	YHPLKWQJMAYFCN-UHFFFAOYSA-N	1	3	134.248	-0.145	50	30	in-vitro	ABEAHO
CN(C)CC#CC[NH3+]	13858991	343037683	/nfs/dbraw/zinc/03/76/83/343037683.db2.gz	KBCNCLOIEKNIFI-UHFFFAOYSA-N	1	3	112.176	-0.490	50	30		ABEAHO
C=C(CN)C[NH3+]	104558157	351713965	/nfs/dbraw/zinc/71/39/65/351713965.db2.gz	PRCGMIFKQRXNBS-UHFFFAOYSA-N	1	3	86.138	-0.540	50	30		ABEAHO