smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000020503942	578130508	/nfs/dbraw/zinc/13/05/08/578130508.db2.gz	CRODZUGTPNTMPC-HRCADAONSA-N	2	2	338.521	0.372	40	30	biogenic,in-vitro	ECEBLP
C#CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000020503942	578130509	/nfs/dbraw/zinc/13/05/09/578130509.db2.gz	CRODZUGTPNTMPC-HRCADAONSA-N	2	2	338.521	0.372	40	30	biogenic,in-vitro	ECEBLP
C#CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000020503942	578130511	/nfs/dbraw/zinc/13/05/11/578130511.db2.gz	CRODZUGTPNTMPC-HRCADAONSA-N	2	2	338.521	0.372	40	30	biogenic,in-vitro	ECEBLP
C=CCN(C)C(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C[NH+](C)C)nn1	ZINC000003838666	210077885	/nfs/dbraw/zinc/07/78/85/210077885.db2.gz	WZSANZCKVOMYFH-OIISXLGYSA-N	2	2	346.479	0.695	40	30	biogenic,in-vitro	ECEBLP
NN/C=[NH+]/c1ccc(S(=O)(=O)c2ccc(/[NH+]=C/NN)cc2)cc1	ZINC000017352553	211966883	/nfs/dbraw/zinc/96/68/83/211966883.db2.gz	IBSHURJADDEWER-UHFFFAOYSA-N	2	2	332.389	0.766	40	30		ECEBLP
C[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)CC1	ZINC000408582356	438582446	/nfs/dbraw/zinc/58/24/46/438582446.db2.gz	NCHWHSFZHYCRSU-UHFFFAOYSA-N	2	2	333.461	0.794	40	30		ECEBLP
C[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)CC1	ZINC000408582356	438582447	/nfs/dbraw/zinc/58/24/47/438582447.db2.gz	NCHWHSFZHYCRSU-UHFFFAOYSA-N	2	2	333.461	0.794	40	30		ECEBLP
C=CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000067870682	215235705	/nfs/dbraw/zinc/23/57/05/215235705.db2.gz	YFEBVOJPUQKYJV-HRCADAONSA-N	2	2	340.537	0.925	40	30	biogenic,in-vitro	ECEBLP
C=CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000067870682	215235709	/nfs/dbraw/zinc/23/57/09/215235709.db2.gz	YFEBVOJPUQKYJV-HRCADAONSA-N	2	2	340.537	0.925	40	30	biogenic,in-vitro	ECEBLP
C=CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000067870682	215235711	/nfs/dbraw/zinc/23/57/11/215235711.db2.gz	YFEBVOJPUQKYJV-HRCADAONSA-N	2	2	340.537	0.925	40	30	biogenic,in-vitro	ECEBLP
C=CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000067870682	215235715	/nfs/dbraw/zinc/23/57/15/215235715.db2.gz	YFEBVOJPUQKYJV-HRCADAONSA-N	2	2	340.537	0.925	40	30	biogenic,in-vitro	ECEBLP
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCC[NH+]1CCOCC1	ZINC000020503755	565105480	/nfs/dbraw/zinc/10/54/80/565105480.db2.gz	CJYQQKKJEKNAAS-HRCADAONSA-N	2	2	336.505	0.126	40	30	biogenic,in-vitro	ECEBLP