smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1-c1cccc([C@@H]2C[C@H]3CN(C4CCN(C)CC4)C(=O)[C@]34CCC[N@@H+]24)c1	ZINC000020777032	525005104	/nfs/dbraw/zinc/00/51/04/525005104.db2.gz	YISSVSLIFJOHJJ-WSHBGFIESA-N	1	3	429.608	4.494	10	0		IIAEHO
Cc1ccccc1-c1cccc([C@@H]2C[C@H]3CN(C4CCN(C)CC4)C(=O)[C@]34CCC[N@H+]24)c1	ZINC000020777032	525005117	/nfs/dbraw/zinc/00/51/17/525005117.db2.gz	YISSVSLIFJOHJJ-WSHBGFIESA-N	1	3	429.608	4.494	10	0		IIAEHO
O=C(CN1CCCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012318538	526739171	/nfs/dbraw/zinc/73/91/71/526739171.db2.gz	VRMBMOGMEKXZFY-DEOSSOPVSA-N	1	3	426.649	4.331	10	0		IIAEHO
O=C(CN1CCCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000012318538	526739176	/nfs/dbraw/zinc/73/91/76/526739176.db2.gz	VRMBMOGMEKXZFY-DEOSSOPVSA-N	1	3	426.649	4.331	10	0		IIAEHO
COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)ccc1C	ZINC000012054325	562980638	/nfs/dbraw/zinc/98/06/38/562980638.db2.gz	FMYZLZGLBFNFBR-NRFANRHFSA-N	1	3	441.591	4.059	10	0		IIAEHO
C[C@H](CCNC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1)[NH+]1CCCC1	ZINC000064669801	568943498	/nfs/dbraw/zinc/94/34/98/568943498.db2.gz	SFWYXERCKVHMCF-GOSISDBHSA-N	1	3	431.024	4.034	10	0		IIAEHO
O[C@H](COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1)CN1CCc2ccccc2C1	ZINC000020452199	526288688	/nfs/dbraw/zinc/28/86/88/526288688.db2.gz	VNJYXCTXXDWZGL-SANMLTNESA-N	1	3	428.576	4.264	10	0		IIAEHO
C[C@@H](CCNC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1)[NH+]1CCCC1	ZINC000064669796	568943441	/nfs/dbraw/zinc/94/34/41/568943441.db2.gz	SFWYXERCKVHMCF-SFHVURJKSA-N	1	3	431.024	4.034	10	0		IIAEHO
COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)ccc1C	ZINC000012054322	562980644	/nfs/dbraw/zinc/98/06/44/562980644.db2.gz	FMYZLZGLBFNFBR-OAQYLSRUSA-N	1	3	441.591	4.059	10	0		IIAEHO
O[C@@H](COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1)CN1CCc2ccccc2C1	ZINC000020452197	527659663	/nfs/dbraw/zinc/65/96/63/527659663.db2.gz	VNJYXCTXXDWZGL-AREMUKBSSA-N	1	3	428.576	4.264	10	0		IIAEHO
O=C(CN1CCCCCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1	ZINC000012318537	526739305	/nfs/dbraw/zinc/73/93/05/526739305.db2.gz	VRMBMOGMEKXZFY-XMMPIXPASA-N	1	3	426.649	4.331	10	0		IIAEHO
O=C(CN1CCCCCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000012318537	526739310	/nfs/dbraw/zinc/73/93/10/526739310.db2.gz	VRMBMOGMEKXZFY-XMMPIXPASA-N	1	3	426.649	4.331	10	0		IIAEHO