smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCCN2CC[NH+](CC2)CCCN(CCC#N)CC1	ZINC000068604838	388948152	/nfs/dbraw/zinc/94/81/52/388948152.db2.gz	JSTMZHGJQRFTHX-UHFFFAOYSA-N	2	1	293.459	0.545	40	30		CCEBMP
CC(C=NNC1=[NH+]CCCCN1)=N[NH+]=C1NCCCCN1	ZINC000104309871	349714220	/nfs/dbraw/zinc/71/42/20/349714220.db2.gz	PVLJIIBWQHJHBT-PAUOAVIZSA-N	2	1	292.391	0.006	40	30		CCEBMP
CC(C=NNC1=[NH+]CCCCN1)=N[NH+]=C1NCCCCN1	ZINC000104309865	349713968	/nfs/dbraw/zinc/71/39/68/349713968.db2.gz	PVLJIIBWQHJHBT-BJPQZVBLSA-N	2	1	292.391	0.006	40	30		CCEBMP
CC(C=NNC1=[NH+]CCCCN1)=N[NH+]=C1NCCCCN1	ZINC000008665443	170344703	/nfs/dbraw/zinc/34/47/03/170344703.db2.gz	PVLJIIBWQHJHBT-OMYAATJGSA-N	2	1	292.391	0.006	40	30		CCEBMP
CC(C=NNC1=[NH+]CCCCN1)=N[NH+]=C1NCCCCN1	ZINC000017253885	348054069	/nfs/dbraw/zinc/05/40/69/348054069.db2.gz	PVLJIIBWQHJHBT-XOBNHNQQSA-N	2	1	292.391	0.006	40	30		CCEBMP
COc1cc2cccnc2c(NC(=[NH2+])NC(N)=[NH2+])c1	ZINC000005639774	170122900	/nfs/dbraw/zinc/12/29/00/170122900.db2.gz	JUAPYVSMLYFRBI-UHFFFAOYSA-N	2	1	258.285	0.673	40	30	in-vitro	CCEBMP
CN1CCC[N@@H+](C)CCN(CC#N)CCC[NH+](C)CC1	ZINC000068606310	348817632	/nfs/dbraw/zinc/81/76/32/348817632.db2.gz	CKMPWIMUENUTLR-UHFFFAOYSA-N	2	1	281.448	0.401	40	30		CCEBMP
CN1CCC[NH+](C)CCN(CC#N)CCC[N@H+](C)CC1	ZINC000068606310	348817636	/nfs/dbraw/zinc/81/76/36/348817636.db2.gz	CKMPWIMUENUTLR-UHFFFAOYSA-N	2	1	281.448	0.401	40	30		CCEBMP
CN1CCC[NH+](C)CCN(CC#N)CCC[N@@H+](C)CC1	ZINC000068606310	348817640	/nfs/dbraw/zinc/81/76/40/348817640.db2.gz	CKMPWIMUENUTLR-UHFFFAOYSA-N	2	1	281.448	0.401	40	30		CCEBMP
CN1CCC[N@@H+](C)CCN(CCC#N)CCC[NH+](C)CC1	ZINC000068604846	348818039	/nfs/dbraw/zinc/81/80/39/348818039.db2.gz	PMTMXEAWJVNZCF-UHFFFAOYSA-N	2	1	295.475	0.791	40	30		CCEBMP
CN1CCC[NH+](C)CCN(CCC#N)CCC[N@H+](C)CC1	ZINC000068604846	348818042	/nfs/dbraw/zinc/81/80/42/348818042.db2.gz	PMTMXEAWJVNZCF-UHFFFAOYSA-N	2	1	295.475	0.791	40	30		CCEBMP
CN1CCC[NH+](C)CCN(CCC#N)CCC[N@@H+](C)CC1	ZINC000068604846	348818045	/nfs/dbraw/zinc/81/80/45/348818045.db2.gz	PMTMXEAWJVNZCF-UHFFFAOYSA-N	2	1	295.475	0.791	40	30		CCEBMP