smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)[C@@H]2[C@H](c3ccccc3[O-])NN(C)[C@H]2C1=O	ZINC000101130263	374945540	/nfs/dbraw/zinc/94/55/40/374945540.db2.gz	VZZAEMZUBFUCHC-FRRDWIJNSA-N	-1	3	305.334	-0.117	50	10		DBCAHM
CN1CCN(NC=C2C(=O)[N-]C(=S)N(C3CC3)C2=O)CC1	ZINC000020328834	277110081	/nfs/dbraw/zinc/11/00/81/277110081.db2.gz	DBJQCOIPMYNONL-CSKARUKUSA-N	-1	3	309.395	-0.132	50	10		DBCAHM
COCCN1C(=O)[C@@H]2[C@H](c3ccccc3[O-])NN(C)[C@@H]2C1=O	ZINC000019171831	182106761	/nfs/dbraw/zinc/10/67/61/182106761.db2.gz	VZZAEMZUBFUCHC-AGIUHOORSA-N	-1	3	305.334	-0.117	50	10		DBCAHM
COCCN1C(=O)[C@@H]2[C@@H](c3ccccc3[O-])NN(C)[C@@H]2C1=O	ZINC000019171828	182106861	/nfs/dbraw/zinc/10/68/61/182106861.db2.gz	VZZAEMZUBFUCHC-UPJWGTAASA-N	-1	3	305.334	-0.117	50	10		DBCAHM
COCCN1C(=O)[C@H]2[C@H](C1=O)N(C)N[C@@H]2c1ccccc1[O-]	ZINC000102801866	375429191	/nfs/dbraw/zinc/42/91/91/375429191.db2.gz	VZZAEMZUBFUCHC-JHJVBQTASA-N	-1	3	305.334	-0.117	50	10		DBCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000002248617	382213344	/nfs/dbraw/zinc/21/33/44/382213344.db2.gz	FLGOZIPTMRHKHH-FLIBITNWSA-N	-1	3	306.322	-0.107	50	10		DBCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000100768963	379839135	/nfs/dbraw/zinc/83/91/35/379839135.db2.gz	FLGOZIPTMRHKHH-DHZHZOJOSA-N	-1	3	306.322	-0.107	50	10		DBCAHM