smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CCN=NC(N)=[NH2+])N=NC(N)=[NH2+]	67350914	166057135	/nfs/dbraw/zinc/05/71/35/166057135.db2.gz	BCXUVOYFVARGFV-PBFXCFKWSA-N	2	0	198.234	-1.715	50	30		AAEARP
CNC(NCCN1CC[NH2+]CC1)=[NH+]C	58157815	166070178	/nfs/dbraw/zinc/07/01/78/166070178.db2.gz	FWRSLEYQUDXDNF-UHFFFAOYSA-N	2	0	199.302	-1.314	50	30		AAEARP
CNC(=[NH2+])NC(N)=[NH2+]	1746016	166070700	/nfs/dbraw/zinc/07/07/00/166070700.db2.gz	JLPWQEHTPOFCPG-UHFFFAOYSA-N	2	0	115.140	-1.586	50	30	in-vitro	AAEARP
CC(C=NNC(N)=[NH2+])=NNC(N)=[NH2+]	4557060	166231014	/nfs/dbraw/zinc/23/10/14/166231014.db2.gz	MXWHMTNPTTVWDM-NXOFHUPFSA-N	2	0	184.207	-1.686	50	30	investigational	AAEARP
NC(=[NH2+])NC(=[NH2+])N1CCOCC1	9302211	169136376	/nfs/dbraw/zinc/13/63/76/169136376.db2.gz	KJHOZAZQWVKILO-UHFFFAOYSA-N	2	0	171.204	-1.473	50	30	world	AAEARP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NO	4507477	169137455	/nfs/dbraw/zinc/13/74/55/169137455.db2.gz	IXHTVNGQTIZAFS-SCSAIBSYSA-N	2	0	189.219	-1.918	50	30		AAEARP
NC(=[NH2+])NC(=[NH2+])N1CC[NH2+]CC1	82164587	169141522	/nfs/dbraw/zinc/14/15/22/169141522.db2.gz	WEIAHRZQEKRKDJ-UHFFFAOYSA-N	3	0	170.220	-1.900	50	30	in-vitro	AAEARP
[NH3+]CC#CC[NH3+]	5112681	169173812	/nfs/dbraw/zinc/17/38/12/169173812.db2.gz	CSZGEDPWASKNHR-UHFFFAOYSA-N	2	0	84.122	-1.093	50	30		AAEARP