smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1c2cccnc2CN(Cc2ccccc2O)CC[C@H]1CO	ZINC000225496451	407589260	/nfs/dbraw/zinc/58/92/60/407589260.db2.gz	WKPFHVWDKVTDOV-HNNXBMFYSA-N	0	3	313.401	1.990	40	10	biogenic,in-vitro	DDCBHN
O=C1c2ccccc2C(=O)c2c(OCCOCCO)cccc21	ZINC000005460290	181246244	/nfs/dbraw/zinc/24/62/44/181246244.db2.gz	VPNNMUNVZCJJLA-UHFFFAOYSA-N	0	3	312.321	1.850	40	10		DDCBHN
CC(=O)N1C[C@@H]2CN(Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253402984	186307088	/nfs/dbraw/zinc/30/70/88/186307088.db2.gz	PFZGXIAHSMXWGP-INIZCTEOSA-N	0	3	317.433	1.519	40	10	biogenic,in-vitro	DDCBHN
COc1ccc(N2CCN(C(=O)CN3CCCC3)CC2)cc1	ZINC000013561942	406862840	/nfs/dbraw/zinc/86/28/40/406862840.db2.gz	JHJRRHIWQMKJFG-UHFFFAOYSA-N	0	3	303.406	1.440	40	10		DDCBHN
CN1c2ncccc2CN(Cc2ccccc2O)CC[C@H]1CO	ZINC000225492848	257215013	/nfs/dbraw/zinc/21/50/13/257215013.db2.gz	FHJKLAPECJTZEH-INIZCTEOSA-N	0	3	313.401	1.990	40	10	biogenic,in-vitro	DDCBHN
Cc1cc(Cl)cc(C[N@@H+](C)Cc2c(C)[nH]c(=O)[nH]c2=O)c1[O-]	ZINC000001686482	406675473	/nfs/dbraw/zinc/67/54/73/406675473.db2.gz	BIBGWHDGEZEVRU-UHFFFAOYSA-N	0	3	323.780	1.671	40	10		DDCBHN
Cc1cc(Cl)cc(C[N@H+](C)Cc2c(C)[nH]c(=O)[nH]c2=O)c1[O-]	ZINC000001686482	406675479	/nfs/dbraw/zinc/67/54/79/406675479.db2.gz	BIBGWHDGEZEVRU-UHFFFAOYSA-N	0	3	323.780	1.671	40	10		DDCBHN
COc1ccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)cc1	ZINC000072796192	191230696	/nfs/dbraw/zinc/23/06/96/191230696.db2.gz	FHDHOYVSPCSLCC-UHFFFAOYSA-N	0	3	317.433	1.686	40	10		DDCBHN
CN(C)Cc1cc(CC2(NCc3ccccc3O)COC2)no1	ZINC000067897815	407289127	/nfs/dbraw/zinc/28/91/27/407289127.db2.gz	FLWSAIAXYPNMMD-UHFFFAOYSA-N	0	3	317.389	1.543	40	10	biogenic,in-vitro	DDCBHN
OCCN(CCO)Cc1cc(OCc2ccccc2)ccc1O	ZINC000001675794	406674337	/nfs/dbraw/zinc/67/43/37/406674337.db2.gz	GSGBBPGZKDECKM-UHFFFAOYSA-N	0	3	317.385	1.758	40	10		DDCBHN
CN1CCC(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	ZINC000216922134	484142623	/nfs/dbraw/zinc/14/26/23/484142623.db2.gz	XCVIDLNLFZJZSR-UHFFFAOYSA-N	0	3	317.433	1.481	40	10		DDCBHN