smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](CS)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000022052041	527334142	/nfs/dbraw/zinc/33/41/42/527334142.db2.gz	FBRCSVAGDWAZCU-ZPFDUUQYSA-N	0	3	389.547	-0.798	10	30	in-vitro	GBEEHN
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)N1C	ZINC000022922460	291093380	/nfs/dbraw/zinc/09/33/80/291093380.db2.gz	KFYJDTKWLPLSCF-LZWOXQAQSA-N	0	3	376.486	-0.559	10	30	biogenic	GBEEHN
CCN1CCN([C@H]2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1	ZINC000329137292	1072465201	/nfs/dbraw/zinc/46/52/01/1072465201.db2.gz	DDQQCUDRGQCHTI-KRWDZBQOSA-N	0	3	380.537	-0.224	10	30		GBEEHN
CCN1CCN([C@@H]2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1	ZINC000329137293	1072464960	/nfs/dbraw/zinc/46/49/60/1072464960.db2.gz	DDQQCUDRGQCHTI-QGZVFWFLSA-N	0	3	380.537	-0.224	10	30		GBEEHN
CN1CCC[C@@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329483029	1073365638	/nfs/dbraw/zinc/36/56/38/1073365638.db2.gz	DZKQDIUMNDICOK-RRFJBIMHSA-N	0	3	377.449	-0.630	10	30		GBEEHN
CN1CCC[C@H]1C(=O)N1CCN(C([O-])=[NH+][C@H]2COC[C@H]2n2ccnn2)CC1	ZINC000329483030	1073365312	/nfs/dbraw/zinc/36/53/12/1073365312.db2.gz	DZKQDIUMNDICOK-SOUVJXGZSA-N	0	3	377.449	-0.630	10	30		GBEEHN
CO[C@H]1C[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)N(S(C)(=O)=O)C1	ZINC000329835424	530291159	/nfs/dbraw/zinc/29/11/59/530291159.db2.gz	HLJJGUCLUDHZTI-QLFBSQMISA-N	0	3	376.523	-0.125	10	30		GBEEHN
CO[C@H]1C[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)N(S(C)(=O)=O)C1	ZINC000329835425	530291214	/nfs/dbraw/zinc/29/12/14/530291214.db2.gz	HLJJGUCLUDHZTI-SOUVJXGZSA-N	0	3	376.523	-0.125	10	30		GBEEHN