smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])CC[NH2+]CCn1cc[nH+]c1	905037305	582641456	/nfs/dbraw/zinc/64/14/56/582641456.db2.gz	WPBCLBUKGPMITI-UHFFFAOYSA-N	2	2	184.199	-0.251	20	5		ABBDLP
C[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1	905027589	582642324	/nfs/dbraw/zinc/64/23/24/582642324.db2.gz	PXJXDEVLJIFRFW-UHFFFAOYSA-N	2	2	187.243	-0.053	20	5		ABBDLP
O=[N+]([O-])CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1	929312848	631088159	/nfs/dbraw/zinc/08/81/59/631088159.db2.gz	NJIQCRRMRBJFCR-OCAPTIKFSA-N	2	2	185.227	-0.586	20	5		ABBDLP
O=[N+]([O-])CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1	929312848	631088163	/nfs/dbraw/zinc/08/81/63/631088163.db2.gz	NJIQCRRMRBJFCR-OCAPTIKFSA-N	2	2	185.227	-0.586	20	5		ABBDLP
O=[N+]([O-])CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1	929312849	631089744	/nfs/dbraw/zinc/08/97/44/631089744.db2.gz	NJIQCRRMRBJFCR-YUMQZZPRSA-N	2	2	185.227	-0.586	20	5		ABBDLP
O=[N+]([O-])CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1	929312847	631090181	/nfs/dbraw/zinc/09/01/81/631090181.db2.gz	NJIQCRRMRBJFCR-HTQZYQBOSA-N	2	2	185.227	-0.586	20	5		ABBDLP
Cn1c[nH+]cc1CC[NH2+]CC[N+](=O)[O-]	1120577304	757811150	/nfs/dbraw/zinc/81/11/50/757811150.db2.gz	WFGHDUOEXZROHF-UHFFFAOYSA-N	2	2	198.226	-0.171	20	5		ABBDLP
C[N@@H+]1CC[C@@H](C[NH2+]CC[N+](=O)[O-])C1	1120572495	757811554	/nfs/dbraw/zinc/81/15/54/757811554.db2.gz	FFIUIWSJHSZNBM-QMMMGPOBSA-N	2	2	187.243	-0.196	20	5		ABBDLP
C[N@H+]1CC[C@@H](C[NH2+]CC[N+](=O)[O-])C1	1120572495	757811559	/nfs/dbraw/zinc/81/15/59/757811559.db2.gz	FFIUIWSJHSZNBM-QMMMGPOBSA-N	2	2	187.243	-0.196	20	5		ABBDLP
C[N@@H+]1CC[C@H](C[NH2+]CC[N+](=O)[O-])C1	1120572494	757812322	/nfs/dbraw/zinc/81/23/22/757812322.db2.gz	FFIUIWSJHSZNBM-MRVPVSSYSA-N	2	2	187.243	-0.196	20	5		ABBDLP
C[N@H+]1CC[C@H](C[NH2+]CC[N+](=O)[O-])C1	1120572494	757812324	/nfs/dbraw/zinc/81/23/24/757812324.db2.gz	FFIUIWSJHSZNBM-MRVPVSSYSA-N	2	2	187.243	-0.196	20	5		ABBDLP
C[NH+](C)CCC[NH2+]CC[N+](=O)[O-]	1120563546	757812348	/nfs/dbraw/zinc/81/23/48/757812348.db2.gz	SFZMTKVJNLZGRN-UHFFFAOYSA-N	2	2	175.232	-0.196	20	5		ABBDLP