smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(NC(=[NH2+])NC(=N)N)cc(=O)n(C)c1=O	ZINC000001714303	342710613	/nfs/dbraw/zinc/71/06/13/342710613.db2.gz	QSTVHZRVJIRPDP-UHFFFAOYSA-N	1	3	239.239	-2.696	40	30		BAEBHO
CC(/C=N\N(C)C(=N)N)=N/N(C)C(N)=[NH2+]	ZINC000005132338	384101927	/nfs/dbraw/zinc/10/19/27/384101927.db2.gz	PWOLUTGOFCVQCK-FQCPIAEUSA-N	1	3	212.261	-1.001	40	30		BAEBHO
CC1=NN(C(=N)N)[C@](C)(N[NH+]=C(N)N)C1	ZINC000005427325	191122251	/nfs/dbraw/zinc/12/22/51/191122251.db2.gz	IYRCDCAWMPIXLT-ZETCQYMHSA-N	1	3	212.261	-1.544	40	30		BAEBHO
N=C(N)NN=C1CCCc2c1cnn2C(N)=[NH2+]	ZINC000006500026	181196940	/nfs/dbraw/zinc/19/69/40/181196940.db2.gz	YZMOFBCPIRONIA-UUASQNMZSA-N	1	3	234.267	-1.062	40	30		BAEBHO
CC(=NNC(=N)N)c1cnn(C(N)=[NH2+])c1C	ZINC000006520568	322815916	/nfs/dbraw/zinc/81/59/16/322815916.db2.gz	HDHWDPQPZSKQTJ-LNKIKWGQSA-N	1	3	222.256	-1.070	40	30		BAEBHO
CC(=NNC(=N)N)c1cnn(C(N)=[NH2+])c1C	ZINC000017142711	187252029	/nfs/dbraw/zinc/25/20/29/187252029.db2.gz	HDHWDPQPZSKQTJ-CPSFFCFKSA-N	1	3	222.256	-1.070	40	30		BAEBHO
N=C(N)NN=C1CCCc2c1cnn2C(N)=[NH2+]	ZINC000017175295	181197741	/nfs/dbraw/zinc/19/77/41/181197741.db2.gz	YZMOFBCPIRONIA-GIDUJCDVSA-N	1	3	234.267	-1.062	40	30		BAEBHO
CC(/C=N\N(C)C(=N)N)=N\N(C)C(N)=[NH2+]	ZINC000017325431	384486977	/nfs/dbraw/zinc/48/69/77/384486977.db2.gz	PWOLUTGOFCVQCK-JBWWEBJPSA-N	1	3	212.261	-1.001	40	30		BAEBHO
CC1=NN(C(=N)N)[C@@](C)(N[NH+]=C(N)N)C1	ZINC000035185405	342743393	/nfs/dbraw/zinc/74/33/93/342743393.db2.gz	IYRCDCAWMPIXLT-SSDOTTSWSA-N	1	3	212.261	-1.544	40	30		BAEBHO
NC(=[NH2+])N=NC=C(N=NC(N)N)[C@@H](O)CO	ZINC000104122033	181188062	/nfs/dbraw/zinc/18/80/62/181188062.db2.gz	VJSOREGYBQGYSO-DQHFIQMDSA-N	1	3	230.232	-3.352	40	30		BAEBHO
NC(=[NH2+])N=NC=C(N=NC(N)N)[C@@H](O)CO	ZINC000104122038	181187645	/nfs/dbraw/zinc/18/76/45/181187645.db2.gz	VJSOREGYBQGYSO-PLPMOTGCSA-N	1	3	230.232	-3.352	40	30		BAEBHO
CNC(=[NH2+])N=NC(C)=CN=NC(N)NC	ZINC000104390703	173209990	/nfs/dbraw/zinc/20/99/90/173209990.db2.gz	WUHOZURWGSBXMV-FQCPIAEUSA-N	1	3	212.261	-1.164	40	30		BAEBHO
CNC(=[NH2+])N=NC=C(C)N=NC(N)NC	ZINC000104390703	173209989	/nfs/dbraw/zinc/20/99/89/173209989.db2.gz	WUHOZURWGSBXMV-FQCPIAEUSA-N	1	3	212.261	-1.164	40	30		BAEBHO