smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000004019704	554472225	/nfs/dbraw/zinc/47/22/25/554472225.db2.gz	FFTVPQUHLQBXQZ-KVUCHLLUSA-N	-2	3	457.483	0.030	40	30	investigational	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000004019704	554472224	/nfs/dbraw/zinc/47/22/24/554472224.db2.gz	FFTVPQUHLQBXQZ-KVUCHLLUSA-N	-2	3	457.483	0.030	40	30	investigational	JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000004574555	522239541	/nfs/dbraw/zinc/23/95/41/522239541.db2.gz	FFTVPQUHLQBXQZ-WTIUCFQTSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000004574555	522239534	/nfs/dbraw/zinc/23/95/34/522239534.db2.gz	FFTVPQUHLQBXQZ-WTIUCFQTSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000006507058	554547886	/nfs/dbraw/zinc/54/78/86/554547886.db2.gz	FFTVPQUHLQBXQZ-PYOFKWECSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000006507058	554547883	/nfs/dbraw/zinc/54/78/83/554547883.db2.gz	FFTVPQUHLQBXQZ-PYOFKWECSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009211800	554981746	/nfs/dbraw/zinc/98/17/46/554981746.db2.gz	FFTVPQUHLQBXQZ-KLURGKLGSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009211800	554981744	/nfs/dbraw/zinc/98/17/44/554981744.db2.gz	FFTVPQUHLQBXQZ-KLURGKLGSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009302287	555075036	/nfs/dbraw/zinc/07/50/36/555075036.db2.gz	FFTVPQUHLQBXQZ-LKAKZKOMSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009302287	555075034	/nfs/dbraw/zinc/07/50/34/555075034.db2.gz	FFTVPQUHLQBXQZ-LKAKZKOMSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000013783865	555618238	/nfs/dbraw/zinc/61/82/38/555618238.db2.gz	DYKFCLLONBREIL-NZSJYHRGSA-N	-2	3	457.483	0.187	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000013783865	555618234	/nfs/dbraw/zinc/61/82/34/555618234.db2.gz	DYKFCLLONBREIL-NZSJYHRGSA-N	-2	3	457.483	0.187	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000018272309	556318350	/nfs/dbraw/zinc/31/83/50/556318350.db2.gz	DYKFCLLONBREIL-XDZLDNBXSA-N	-2	3	457.483	0.187	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000018272309	556318348	/nfs/dbraw/zinc/31/83/48/556318348.db2.gz	DYKFCLLONBREIL-XDZLDNBXSA-N	-2	3	457.483	0.187	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800830	556378320	/nfs/dbraw/zinc/37/83/20/556378320.db2.gz	DYKFCLLONBREIL-BJEQLJQGSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800830	556378317	/nfs/dbraw/zinc/37/83/17/556378317.db2.gz	DYKFCLLONBREIL-BJEQLJQGSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800831	556378178	/nfs/dbraw/zinc/37/81/78/556378178.db2.gz	DYKFCLLONBREIL-DCCRXGOGSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800831	556378176	/nfs/dbraw/zinc/37/81/76/556378176.db2.gz	DYKFCLLONBREIL-DCCRXGOGSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800832	556378157	/nfs/dbraw/zinc/37/81/57/556378157.db2.gz	DYKFCLLONBREIL-VODOJQOBSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800832	556378153	/nfs/dbraw/zinc/37/81/53/556378153.db2.gz	DYKFCLLONBREIL-VODOJQOBSA-N	-2	3	457.483	0.187	40	30	biogenic,in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019868839	555523404	/nfs/dbraw/zinc/52/34/04/555523404.db2.gz	DYKFCLLONBREIL-OLQLPNTFSA-N	-2	3	457.483	0.187	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000019868839	555523403	/nfs/dbraw/zinc/52/34/03/555523403.db2.gz	DYKFCLLONBREIL-OLQLPNTFSA-N	-2	3	457.483	0.187	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000026955544	556266639	/nfs/dbraw/zinc/26/66/39/556266639.db2.gz	DYKFCLLONBREIL-AIWOOYGZSA-N	-2	3	457.483	0.187	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000026955544	556266636	/nfs/dbraw/zinc/26/66/36/556266636.db2.gz	DYKFCLLONBREIL-AIWOOYGZSA-N	-2	3	457.483	0.187	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000036372474	569773614	/nfs/dbraw/zinc/77/36/14/569773614.db2.gz	DYKFCLLONBREIL-OBPQCYFVSA-N	-2	3	457.483	0.187	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000036372474	569773613	/nfs/dbraw/zinc/77/36/13/569773613.db2.gz	DYKFCLLONBREIL-OBPQCYFVSA-N	-2	3	457.483	0.187	40	30		JCEBHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]12	ZINC000078832372	569706766	/nfs/dbraw/zinc/70/67/66/569706766.db2.gz	RNIADBXQDMCFEN-BMWPDRKBSA-N	-2	3	476.869	0.059	40	30		JCEBHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]12	ZINC000078832372	569706764	/nfs/dbraw/zinc/70/67/64/569706764.db2.gz	RNIADBXQDMCFEN-BMWPDRKBSA-N	-2	3	476.869	0.059	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409820	569759358	/nfs/dbraw/zinc/75/93/58/569759358.db2.gz	CUJCFMVUUMIFDR-NNQQPRJISA-N	-2	3	457.483	0.030	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409820	569759357	/nfs/dbraw/zinc/75/93/57/569759357.db2.gz	CUJCFMVUUMIFDR-NNQQPRJISA-N	-2	3	457.483	0.030	40	30	in-vitro	JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409824	569759343	/nfs/dbraw/zinc/75/93/43/569759343.db2.gz	CUJCFMVUUMIFDR-WYYBVBQMSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409824	569759342	/nfs/dbraw/zinc/75/93/42/569759342.db2.gz	CUJCFMVUUMIFDR-WYYBVBQMSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000104691374	569846118	/nfs/dbraw/zinc/84/61/18/569846118.db2.gz	CUJCFMVUUMIFDR-PQUFTOPASA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000104691374	569846117	/nfs/dbraw/zinc/84/61/17/569846117.db2.gz	CUJCFMVUUMIFDR-PQUFTOPASA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000111342134	569860926	/nfs/dbraw/zinc/86/09/26/569860926.db2.gz	CUJCFMVUUMIFDR-YWBNVVQVSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000111342134	569860925	/nfs/dbraw/zinc/86/09/25/569860925.db2.gz	CUJCFMVUUMIFDR-YWBNVVQVSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000138649904	569866134	/nfs/dbraw/zinc/86/61/34/569866134.db2.gz	CUJCFMVUUMIFDR-IZWUPQEZSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@]3(O)C(=O)C1=C2[O-]	ZINC000138649904	569866133	/nfs/dbraw/zinc/86/61/33/569866133.db2.gz	CUJCFMVUUMIFDR-IZWUPQEZSA-N	-2	3	457.483	0.030	40	30		JCEBHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000199169700	569873924	/nfs/dbraw/zinc/87/39/24/569873924.db2.gz	RNIADBXQDMCFEN-DZZAAQMJSA-N	-2	3	476.869	0.059	40	30		JCEBHL
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000199169700	569873923	/nfs/dbraw/zinc/87/39/23/569873923.db2.gz	RNIADBXQDMCFEN-DZZAAQMJSA-N	-2	3	476.869	0.059	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000255967965	570106550	/nfs/dbraw/zinc/10/65/50/570106550.db2.gz	CUJCFMVUUMIFDR-IZDGXVOGSA-N	-2	3	457.483	0.030	40	30		JCEBHL
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C([O-])[C@@]3(O)C(=O)C1=C2[O-]	ZINC000255967965	570106549	/nfs/dbraw/zinc/10/65/49/570106549.db2.gz	CUJCFMVUUMIFDR-IZDGXVOGSA-N	-2	3	457.483	0.030	40	30		JCEBHL