smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCC[NH+]2CCOCC2)C1	ZINC000012039959	558312642	/nfs/dbraw/zinc/31/26/42/558312642.db2.gz	QWVVCAFEXCEPGS-LEWJYISDSA-N	2	2	410.603	0.894	10	0		HCAELP
CC(C)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCC[NH+]2CCOCC2)C1	ZINC000012039959	558312638	/nfs/dbraw/zinc/31/26/38/558312638.db2.gz	QWVVCAFEXCEPGS-LEWJYISDSA-N	2	2	410.603	0.894	10	0		HCAELP
Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1	ZINC000012300026	568463144	/nfs/dbraw/zinc/46/31/44/568463144.db2.gz	WHZNYSTWQUZODD-IBGZPJMESA-N	2	2	402.539	0.913	10	0		HCAELP
Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1	ZINC000012300026	568463143	/nfs/dbraw/zinc/46/31/43/568463143.db2.gz	WHZNYSTWQUZODD-IBGZPJMESA-N	2	2	402.539	0.913	10	0		HCAELP
Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1	ZINC000012300027	568463223	/nfs/dbraw/zinc/46/32/23/568463223.db2.gz	WHZNYSTWQUZODD-LJQANCHMSA-N	2	2	402.539	0.913	10	0		HCAELP
Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1	ZINC000012300027	568463222	/nfs/dbraw/zinc/46/32/22/568463222.db2.gz	WHZNYSTWQUZODD-LJQANCHMSA-N	2	2	402.539	0.913	10	0		HCAELP
C[N@H+]1[C@@H]2CCN(Cc3[nH]cc[nH+]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000022922583	291175989	/nfs/dbraw/zinc/17/59/89/291175989.db2.gz	FLDKRFIBIJQFNI-GMBSWORKSA-N	2	2	400.483	0.472	10	0	biogenic	HCAELP
C[N@@H+]1[C@@H]2CCN(Cc3[nH]cc[nH+]3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1	ZINC000022922583	291175984	/nfs/dbraw/zinc/17/59/84/291175984.db2.gz	FLDKRFIBIJQFNI-GMBSWORKSA-N	2	2	400.483	0.472	10	0	biogenic	HCAELP
CC(C)(CO)[N@H+]1CCO[C@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1	ZINC000034691581	557372229	/nfs/dbraw/zinc/37/22/29/557372229.db2.gz	XPEXNNYGBNMLTD-HXUWFJFHSA-N	2	2	405.539	0.933	10	0		HCAELP
CC(C)(CO)[N@@H+]1CCO[C@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1	ZINC000034691581	557372226	/nfs/dbraw/zinc/37/22/26/557372226.db2.gz	XPEXNNYGBNMLTD-HXUWFJFHSA-N	2	2	405.539	0.933	10	0		HCAELP
CC(C)(CO)[N@H+]1CCO[C@@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1	ZINC000034691582	557372138	/nfs/dbraw/zinc/37/21/38/557372138.db2.gz	XPEXNNYGBNMLTD-FQEVSTJZSA-N	2	2	405.539	0.933	10	0		HCAELP
CC(C)(CO)[N@@H+]1CCO[C@@H](CN(CC[NH+]2CCOCC2)C(=O)c2ccccc2)C1	ZINC000034691582	557372137	/nfs/dbraw/zinc/37/21/37/557372137.db2.gz	XPEXNNYGBNMLTD-FQEVSTJZSA-N	2	2	405.539	0.933	10	0		HCAELP