smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc1)CC2	ZINC000029064187	561996289	/nfs/dbraw/zinc/99/62/89/561996289.db2.gz	OZTAZMFFYFNCJK-UHFFFAOYSA-N	1	0	521.570	4.482	10	5		KIBERO
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCO)cc1OC	ZINC000034201735	717123925	/nfs/dbraw/zinc/12/39/25/717123925.db2.gz	XFGQBTJDTYNZPQ-DDAUYOFQSA-N	1	0	516.655	4.103	10	5		KIBERO
CC[NH+](CC)CCN1C(=O)c2c3c4cccc(Cl)c4[nH]c3c3c(c4cccc(Cl)c4n3[C@@H]3O[C@H](CO)[C@H](OC)[C@H](O)[C@@H]3O)c2C1=O	ZINC000150652864	562848969	/nfs/dbraw/zinc/84/89/69/562848969.db2.gz	JSKFWUPVIZYJMR-SPAOSWPWSA-N	1	0	669.562	4.300	10	5		KIBERO
CC[NH+](CC)CCN1C(=O)c2c3c4cccc(Cl)c4[nH]c3c3c(c4cccc(Cl)c4n3[C@@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@@H]3O)c2C1=O	ZINC000160574183	562849054	/nfs/dbraw/zinc/84/90/54/562849054.db2.gz	JSKFWUPVIZYJMR-GFHVDOEWSA-N	1	0	669.562	4.300	10	5		KIBERO
CC[NH+](CC)CCN1C(=O)c2c3c4cccc(Cl)c4[nH]c3c3c(c4cccc(Cl)c4n3[C@@H]3O[C@H](CO)[C@H](OC)[C@H](O)[C@H]3O)c2C1=O	ZINC000247837919	562881601	/nfs/dbraw/zinc/88/16/01/562881601.db2.gz	JSKFWUPVIZYJMR-CISBKVEVSA-N	1	0	669.562	4.300	10	5		KIBERO
CC[NH+](CC)CCN1C(=O)c2c3c4cccc(Cl)c4[nH]c3c3c(c4cccc(Cl)c4n3[C@@H]3O[C@H](CO)[C@H](OC)[C@@H](O)[C@H]3O)c2C1=O	ZINC000247837922	562881606	/nfs/dbraw/zinc/88/16/06/562881606.db2.gz	JSKFWUPVIZYJMR-QFUSFGARSA-N	1	0	669.562	4.300	10	5		KIBERO
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCO)cc1OC	ZINC000299872325	717181803	/nfs/dbraw/zinc/18/18/03/717181803.db2.gz	XFGQBTJDTYNZPQ-AYWVHJORSA-N	1	0	516.655	4.103	10	5		KIBERO
CCC(=O)OCCC[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1cc(OC)c(OC)c(OC)c1	ZINC000604938648	717185294	/nfs/dbraw/zinc/18/52/94/717185294.db2.gz	WWTRZMVMQNBCBQ-KPURRNSFSA-N	1	0	502.628	4.359	10	5		KIBERO
CCC(=O)OCCC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1cc(OC)c(OC)c(OC)c1	ZINC000604938649	717185556	/nfs/dbraw/zinc/18/55/56/717185556.db2.gz	WWTRZMVMQNBCBQ-MNNSJKJDSA-N	1	0	502.628	4.359	10	5		KIBERO
CCC(=O)OCCC[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1cc(OC)c(OC)c(OC)c1	ZINC000604938650	717185532	/nfs/dbraw/zinc/18/55/32/717185532.db2.gz	WWTRZMVMQNBCBQ-PZGXJGMVSA-N	1	0	502.628	4.359	10	5		KIBERO
CCC(=O)OCCC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1cc(OC)c(OC)c(OC)c1	ZINC000604938651	717185312	/nfs/dbraw/zinc/18/53/12/717185312.db2.gz	WWTRZMVMQNBCBQ-ZTOMLWHTSA-N	1	0	502.628	4.359	10	5		KIBERO