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)=[NH2+])cc(=O)n(C)c1=O	ZINC000001714303	342710611	/nfs/dbraw/zinc/71/06/11/342710611.db2.gz	QSTVHZRVJIRPDP-UHFFFAOYSA-N	2	0	239.239	-2.696	40	30		BAEBRP
O[C@H](C[NH2+]CCS)[C@@H](O)C[NH2+]CCS	ZINC000004706199	183178841	/nfs/dbraw/zinc/17/88/41/183178841.db2.gz	CXWMMHZPVZRGCP-OCAPTIKFSA-N	2	0	240.394	-1.253	40	30		BAEBRP
O[C@H](C[NH2+]CCS)[C@H](O)C[NH2+]CCS	ZINC000004775604	183223081	/nfs/dbraw/zinc/22/30/81/183223081.db2.gz	CXWMMHZPVZRGCP-HTQZYQBOSA-N	2	0	240.394	-1.253	40	30		BAEBRP
CC[N+](CC)(CCNCC(N)=O)CC(N)=O	ZINC000004878916	342753796	/nfs/dbraw/zinc/75/37/96/342753796.db2.gz	CDDSZLQEEWFHGC-UHFFFAOYSA-O	2	0	231.320	-1.597	40	30		BAEBRP
CC(/C=N\N(C)C(N)=[NH2+])=N/N(C)C(N)=[NH2+]	ZINC000005132338	384101919	/nfs/dbraw/zinc/10/19/19/384101919.db2.gz	PWOLUTGOFCVQCK-FQCPIAEUSA-N	2	0	212.261	-1.001	40	30		BAEBRP
O[C@@H](C[NH2+]CCS)[C@@H](O)C[NH2+]CCS	ZINC000005178858	183179110	/nfs/dbraw/zinc/17/91/10/183179110.db2.gz	CXWMMHZPVZRGCP-YUMQZZPRSA-N	2	0	240.394	-1.253	40	30		BAEBRP
CC1=NN(C(N)=[NH2+])[C@](C)(N[NH+]=C(N)N)C1	ZINC000005427325	191122248	/nfs/dbraw/zinc/12/22/48/191122248.db2.gz	IYRCDCAWMPIXLT-ZETCQYMHSA-N	2	0	212.261	-1.544	40	30		BAEBRP
NC(=[NH2+])NN=C1CCCc2c1cnn2C(N)=[NH2+]	ZINC000006500026	181196936	/nfs/dbraw/zinc/19/69/36/181196936.db2.gz	YZMOFBCPIRONIA-UUASQNMZSA-N	2	0	234.267	-1.062	40	30		BAEBRP
CC(=NNC(N)=[NH2+])c1cnn(C(N)=[NH2+])c1C	ZINC000006520568	322815911	/nfs/dbraw/zinc/81/59/11/322815911.db2.gz	HDHWDPQPZSKQTJ-LNKIKWGQSA-N	2	0	222.256	-1.070	40	30		BAEBRP
NC(=[NH2+])NN=CC(=NNC(N)=[NH2+])C(F)(F)F	ZINC000008617573	181188662	/nfs/dbraw/zinc/18/86/62/181188662.db2.gz	UIOTXAGUOYYBFH-DBGBQUALSA-N	2	0	238.177	-1.143	40	30		BAEBRP
NC(=[NH2+])NN=C1CCCc2c1cnn2C(N)=[NH2+]	ZINC000017175295	181197738	/nfs/dbraw/zinc/19/77/38/181197738.db2.gz	YZMOFBCPIRONIA-GIDUJCDVSA-N	2	0	234.267	-1.062	40	30		BAEBRP
CNC(=[NH2+])N=NCC(C)=NNC(=[NH2+])NC	ZINC000017324786	187588034	/nfs/dbraw/zinc/58/80/34/187588034.db2.gz	WUHOZURWGSBXMV-JBWWEBJPSA-N	2	0	212.261	-1.374	40	30		BAEBRP
CC(/C=N\N(C)C(N)=[NH2+])=N\N(C)C(N)=[NH2+]	ZINC000017325431	384486970	/nfs/dbraw/zinc/48/69/70/384486970.db2.gz	PWOLUTGOFCVQCK-JBWWEBJPSA-N	2	0	212.261	-1.001	40	30		BAEBRP
CC1=NN(C(N)=[NH2+])[C@@](C)(N[NH+]=C(N)N)C1	ZINC000035185405	342743392	/nfs/dbraw/zinc/74/33/92/342743392.db2.gz	IYRCDCAWMPIXLT-SSDOTTSWSA-N	2	0	212.261	-1.544	40	30		BAEBRP
NC(=[NH2+])NN=Cc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000042988810	181323060	/nfs/dbraw/zinc/32/30/60/181323060.db2.gz	DJQYBCUFGZTQSR-KNBRTIFXSA-N	2	0	246.278	-1.099	40	30		BAEBRP
NC(=[NH2+])NN=Cc1ccc(C=NNC(N)=[NH2+])cc1	ZINC000059015437	181322444	/nfs/dbraw/zinc/32/24/44/181322444.db2.gz	DJQYBCUFGZTQSR-OPCYYNASSA-N	2	0	246.278	-1.099	40	30		BAEBRP
NC(=[NH2+])NN=CC(=NNC(N)=[NH2+])C(F)(F)F	ZINC000104052316	181187509	/nfs/dbraw/zinc/18/75/09/181187509.db2.gz	UIOTXAGUOYYBFH-CPVSUZKPSA-N	2	0	238.177	-1.143	40	30		BAEBRP
NC(=[NH2+])NN=CC(=NNC(N)=[NH2+])[C@@H](O)CO	ZINC000104122033	181188058	/nfs/dbraw/zinc/18/80/58/181188058.db2.gz	VJSOREGYBQGYSO-DQHFIQMDSA-N	2	0	230.232	-3.352	40	30		BAEBRP
NC(=[NH2+])NN=CC(=NNC(N)=[NH2+])[C@@H](O)CO	ZINC000104122038	181187639	/nfs/dbraw/zinc/18/76/39/181187639.db2.gz	VJSOREGYBQGYSO-PLPMOTGCSA-N	2	0	230.232	-3.352	40	30		BAEBRP
CNC(=[NH2+])NN=CC(C)=NNC(=[NH2+])NC	ZINC000104390703	173209986	/nfs/dbraw/zinc/20/99/86/173209986.db2.gz	WUHOZURWGSBXMV-FQCPIAEUSA-N	2	0	212.261	-1.164	40	30		BAEBRP