smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1c2cccnc2C[N@H+](Cc2ccccc2O)CC[C@H]1CO	ZINC000225496451	407589256	/nfs/dbraw/zinc/58/92/56/407589256.db2.gz	WKPFHVWDKVTDOV-HNNXBMFYSA-N	1	1	313.401	1.990	40	10	biogenic,in-vitro	DDCBMO
C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000216913008	490696961	/nfs/dbraw/zinc/69/69/61/490696961.db2.gz	QSGDDWBUVWZPRB-MRXNPFEDSA-N	1	1	317.433	1.481	40	10		DDCBMO
Cc1cc(C)c(O)c(C[N@H+](C)Cc2c(C)[nH]c(=O)[nH]c2=O)c1	ZINC000001686484	406675944	/nfs/dbraw/zinc/67/59/44/406675944.db2.gz	IILWNCFEQJCEGI-UHFFFAOYSA-N	1	1	303.362	1.326	40	10		DDCBMO
CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253402984	186307086	/nfs/dbraw/zinc/30/70/86/186307086.db2.gz	PFZGXIAHSMXWGP-INIZCTEOSA-N	1	1	317.433	1.519	40	10	biogenic,in-vitro	DDCBMO
COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1	ZINC000057711692	407217318	/nfs/dbraw/zinc/21/73/18/407217318.db2.gz	VAKOFFLOHDFPIA-HNNXBMFYSA-N	1	1	317.433	1.828	40	10		DDCBMO
C[N@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000216913035	484142266	/nfs/dbraw/zinc/14/22/66/484142266.db2.gz	QSGDDWBUVWZPRB-INIZCTEOSA-N	1	1	317.433	1.481	40	10		DDCBMO
CN1c2ncccc2C[N@H+](Cc2ccccc2O)CC[C@H]1CO	ZINC000225492848	257215011	/nfs/dbraw/zinc/21/50/11/257215011.db2.gz	FHJKLAPECJTZEH-INIZCTEOSA-N	1	1	313.401	1.990	40	10	biogenic,in-vitro	DDCBMO
COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000081224296	192237751	/nfs/dbraw/zinc/23/77/51/192237751.db2.gz	HRRPIYZCLONMEO-OAHLLOKOSA-N	1	1	317.433	1.686	40	10		DDCBMO
C/C(NN1CC[NH+](C)CC1)=C1\C(C)=NN(c2ccccc2)C1=O	ZINC000112108964	407421894	/nfs/dbraw/zinc/42/18/94/407421894.db2.gz	QUADOTUFXCAKRG-SSZFMOIBSA-N	1	1	313.405	1.435	40	10		DDCBMO
COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000081224293	192237793	/nfs/dbraw/zinc/23/77/93/192237793.db2.gz	HRRPIYZCLONMEO-HNNXBMFYSA-N	1	1	317.433	1.686	40	10		DDCBMO
CN(C(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C)C1CC[NH+](C)CC1	ZINC000006760731	406739225	/nfs/dbraw/zinc/73/92/25/406739225.db2.gz	UCXFEBNLXZQMTC-MSOLQXFVSA-N	1	1	320.433	1.504	40	10		DDCBMO
C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCC2)cc1	ZINC000072324815	288314442	/nfs/dbraw/zinc/31/44/42/288314442.db2.gz	HBLTWNSXMOGVNU-ATZDWAIDSA-N	1	1	315.461	1.926	40	10		DDCBMO
C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N2CCCC2)cc1	ZINC000072324769	191123359	/nfs/dbraw/zinc/12/33/59/191123359.db2.gz	HBLTWNSXMOGVNU-KFKAGJAMSA-N	1	1	315.461	1.926	40	10		DDCBMO
C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCC2)cc1	ZINC000072324770	406881346	/nfs/dbraw/zinc/88/13/46/406881346.db2.gz	HBLTWNSXMOGVNU-ZYSHUDEJSA-N	1	1	315.461	1.926	40	10		DDCBMO
COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1	ZINC000057711699	407217368	/nfs/dbraw/zinc/21/73/68/407217368.db2.gz	VAKOFFLOHDFPIA-OAHLLOKOSA-N	1	1	317.433	1.828	40	10		DDCBMO
COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)c(O)c1	ZINC000019576609	182131536	/nfs/dbraw/zinc/13/15/36/182131536.db2.gz	DNOCRZMMMNFLMV-UHFFFAOYSA-N	1	1	301.346	1.763	40	10		DDCBMO
C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N2CCCC2)cc1	ZINC000072324816	191122869	/nfs/dbraw/zinc/12/28/69/191122869.db2.gz	HBLTWNSXMOGVNU-AYOQOUSVSA-N	1	1	315.461	1.926	40	10		DDCBMO
Cc1nc2c(c(=O)[nH]1)CC[C@@H]1C[N@@H+](Cc3ccccc3O)C[C@H]21	ZINC000072336057	191126408	/nfs/dbraw/zinc/12/64/08/191126408.db2.gz	FVUNHKBTUYWNSL-DOMZBBRYSA-N	1	1	311.385	1.946	40	10		DDCBMO
CC[NH+]1CCN(c2c([N+](=O)[O-])cc(OC)cc2[N+](=O)[O-])CC1	ZINC000045886703	407050763	/nfs/dbraw/zinc/05/07/63/407050763.db2.gz	GBIITASIIPGVNL-UHFFFAOYSA-N	1	1	310.310	1.654	40	10		DDCBMO