smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(C)[nH+]1	ZINC000096184330	166357842	/nfs/dbraw/zinc/35/78/42/166357842.db2.gz	CBAHGPIDRMSOFJ-KBPBESRZSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(C)[nH+]1	ZINC000096184330	166357845	/nfs/dbraw/zinc/35/78/45/166357845.db2.gz	CBAHGPIDRMSOFJ-KBPBESRZSA-N	2	2	243.354	2.229	40	30		BEEBLP
CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000252486090	388653228	/nfs/dbraw/zinc/65/32/28/388653228.db2.gz	DZALLZYRMODTAK-STQMWFEESA-N	2	2	249.358	2.042	40	30		BEEBLP
CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000252486090	388653229	/nfs/dbraw/zinc/65/32/29/388653229.db2.gz	DZALLZYRMODTAK-STQMWFEESA-N	2	2	249.358	2.042	40	30		BEEBLP
CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CO2)C1	ZINC000252486089	388653457	/nfs/dbraw/zinc/65/34/57/388653457.db2.gz	DZALLZYRMODTAK-OLZOCXBDSA-N	2	2	249.358	2.042	40	30		BEEBLP
CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CO2)C1	ZINC000252486089	388653458	/nfs/dbraw/zinc/65/34/58/388653458.db2.gz	DZALLZYRMODTAK-OLZOCXBDSA-N	2	2	249.358	2.042	40	30		BEEBLP
C=CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cccc(C)[nH+]1	ZINC000306124864	134160830	/nfs/dbraw/zinc/16/08/30/134160830.db2.gz	CBAHGPIDRMSOFJ-ZIAGYGMSSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cccc(C)[nH+]1	ZINC000306124864	134160831	/nfs/dbraw/zinc/16/08/31/134160831.db2.gz	CBAHGPIDRMSOFJ-ZIAGYGMSSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[NH+](CC=C)C[C@@H]([NH3+])Cc1ccccc1	ZINC000020071220	166334284	/nfs/dbraw/zinc/33/42/84/166334284.db2.gz	QEALKSWBIUXRME-HNNXBMFYSA-N	2	2	230.355	2.230	40	30		BEEBLP
C=CC[NH+](CC=C)C[C@H]([NH3+])Cc1ccccc1	ZINC000020071217	166335044	/nfs/dbraw/zinc/33/50/44/166335044.db2.gz	QEALKSWBIUXRME-OAHLLOKOSA-N	2	2	230.355	2.230	40	30		BEEBLP
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc(C)[nH+]1	ZINC000107198988	166358028	/nfs/dbraw/zinc/35/80/28/166358028.db2.gz	CBAHGPIDRMSOFJ-UONOGXRCSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc(C)[nH+]1	ZINC000107198988	166358031	/nfs/dbraw/zinc/35/80/31/166358031.db2.gz	CBAHGPIDRMSOFJ-UONOGXRCSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[NH+](CC=C)CC1([NH3+])CCCCC1	ZINC000020071325	166335806	/nfs/dbraw/zinc/33/58/06/166335806.db2.gz	WQQAQUQAHDKDQR-UHFFFAOYSA-N	2	2	208.349	2.322	40	30		BEEBLP
C=CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cccc(C)[nH+]1	ZINC000096184329	385040440	/nfs/dbraw/zinc/04/04/40/385040440.db2.gz	CBAHGPIDRMSOFJ-KGLIPLIRSA-N	2	2	243.354	2.229	40	30		BEEBLP
C=CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cccc(C)[nH+]1	ZINC000096184329	385040450	/nfs/dbraw/zinc/04/04/50/385040450.db2.gz	CBAHGPIDRMSOFJ-KGLIPLIRSA-N	2	2	243.354	2.229	40	30		BEEBLP