smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1c2cccc(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]21	ZINC000004245687	555978803	/nfs/dbraw/zinc/97/88/03/555978803.db2.gz	JBIWCJUYHHGXTC-UZPHWJRLSA-N	-2	1	444.440	-0.348	40	30	in-vitro	IBEBML
C[C@@H]1c2cccc(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]21	ZINC000008034239	556149409	/nfs/dbraw/zinc/14/94/09/556149409.db2.gz	JBIWCJUYHHGXTC-IPJAVASBSA-N	-2	1	444.440	-0.348	40	30	in-vitro	IBEBML
C[C@H]1c2cccc(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]21	ZINC000028713782	556459369	/nfs/dbraw/zinc/45/93/69/556459369.db2.gz	JBIWCJUYHHGXTC-VOFAWJQESA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000035024602	525715766	/nfs/dbraw/zinc/71/57/66/525715766.db2.gz	JBIWCJUYHHGXTC-POSBCTLWSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@H]1c2cccc(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]21	ZINC000035024605	525118156	/nfs/dbraw/zinc/11/81/56/525118156.db2.gz	JBIWCJUYHHGXTC-UWBHHPJMSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000035024607	525716874	/nfs/dbraw/zinc/71/68/74/525716874.db2.gz	JBIWCJUYHHGXTC-CAXGTTPFSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000036386945	525715606	/nfs/dbraw/zinc/71/56/06/525715606.db2.gz	JBIWCJUYHHGXTC-VTUQJDIOSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@H]1c2cccc(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]21	ZINC000100302137	568884482	/nfs/dbraw/zinc/88/44/82/568884482.db2.gz	SGKRLCUYIXIAHR-AKNGSSGZSA-N	-2	1	444.440	-0.504	40	30	in-vitro	IBEBML
C[C@H]1c2cccc(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]21	ZINC000109562088	569262545	/nfs/dbraw/zinc/26/25/45/569262545.db2.gz	RPRXAHFLWOCXQL-AKNGSSGZSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000206171961	569587738	/nfs/dbraw/zinc/58/77/38/569587738.db2.gz	SGKRLCUYIXIAHR-HEMWUFRKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000227256860	568904425	/nfs/dbraw/zinc/90/44/25/568904425.db2.gz	JBIWCJUYHHGXTC-ZVQKKFRMSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000252586750	568925114	/nfs/dbraw/zinc/92/51/14/568925114.db2.gz	SGKRLCUYIXIAHR-HDPJUZMGSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000252586751	568925126	/nfs/dbraw/zinc/92/51/26/568925126.db2.gz	SGKRLCUYIXIAHR-ICIOMLFKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000252586752	568925102	/nfs/dbraw/zinc/92/51/02/568925102.db2.gz	SGKRLCUYIXIAHR-VZBACUBKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000271778035	568740971	/nfs/dbraw/zinc/74/09/71/568740971.db2.gz	RPRXAHFLWOCXQL-HDPJUZMGSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000271778042	568741031	/nfs/dbraw/zinc/74/10/31/568741031.db2.gz	RPRXAHFLWOCXQL-HEMWUFRKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000271778049	568741067	/nfs/dbraw/zinc/74/10/67/568741067.db2.gz	RPRXAHFLWOCXQL-ICIOMLFKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000271778055	568741053	/nfs/dbraw/zinc/74/10/53/568741053.db2.gz	RPRXAHFLWOCXQL-VZBACUBKSA-N	-2	1	444.440	-0.504	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000584578802	568897465	/nfs/dbraw/zinc/89/74/65/568897465.db2.gz	JBIWCJUYHHGXTC-AGHQRNKNSA-N	-2	1	444.440	-0.348	40	30		IBEBML
C[C@@H]1c2cccc(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]21	ZINC000584578803	568897407	/nfs/dbraw/zinc/89/74/07/568897407.db2.gz	JBIWCJUYHHGXTC-JSACVDJMSA-N	-2	1	444.440	-0.348	40	30		IBEBML