smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1cc(C(C)=NNC(=[NH2+])NC)ccc1-2	ZINC000008648930	204281690	/nfs/dbraw/zinc/28/16/90/204281690.db2.gz	HJPFJSMRJYXDET-KTDSDSLMSA-N	2	2	390.495	2.193	40	30		GEEBLP
CNC(=[NH2+])NN=C(C)c1ccc2c(c1)Cc1cc(C(C)=NNC(=[NH2+])NC)ccc1-2	ZINC000008648929	204282360	/nfs/dbraw/zinc/28/23/60/204282360.db2.gz	HJPFJSMRJYXDET-MKMZHBJZSA-N	2	2	390.495	2.193	40	30		GEEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000020503945	291112322	/nfs/dbraw/zinc/11/23/22/291112322.db2.gz	ADNSLTKJIBQBGF-BBTUJRGHSA-N	2	2	399.608	2.314	40	30	biogenic,in-vitro	GEEBLP
C#CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000020503945	291112324	/nfs/dbraw/zinc/11/23/24/291112324.db2.gz	ADNSLTKJIBQBGF-BBTUJRGHSA-N	2	2	399.608	2.314	40	30	biogenic,in-vitro	GEEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	ZINC000020503945	291112328	/nfs/dbraw/zinc/11/23/28/291112328.db2.gz	ADNSLTKJIBQBGF-BBTUJRGHSA-N	2	2	399.608	2.314	40	30	biogenic,in-vitro	GEEBLP
Cn1cc[nH+]c1Cn1c(C#N)cc(N)c1N1CC[NH+](Cc2ccccc2)CC1	ZINC000225872027	231036460	/nfs/dbraw/zinc/03/64/60/231036460.db2.gz	ZMGIVUFIBXSGKU-UHFFFAOYSA-N	2	2	375.480	2.046	40	30		GEEBLP