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]1O[C@H](O[C@H]2C[C@](O)(CCO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000026402016	563027665	/nfs/dbraw/zinc/02/76/65/563027665.db2.gz	LWRVSBUMMHWLNY-HPJOMPMPSA-N	1	0	499.516	0.814	1	10		JCCFRO
O=C1c2c3c(ccc2NCCN2CCOCC2)n(CC[NH2+]CCO)nc3-c2c(O)ccc(O)c21	ZINC000028758100	563077952	/nfs/dbraw/zinc/07/79/52/563077952.db2.gz	CCXRHPMPBTVQIK-UHFFFAOYSA-N	1	0	467.526	0.985	1	10		JCCFRO
CN(C)CC[NH2+]CCNc1ccc2c3c(nn2C[C@@H](O)CO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028759007	563078033	/nfs/dbraw/zinc/07/80/33/563078033.db2.gz	ZXIZZZARCZJGHP-CYBMUJFWSA-N	1	0	455.515	0.575	1	10		JCCFRO
CN(C)CC[NH2+]CCNc1ccc2c3c(nn2C[C@H](O)CO)-c2c(O)ccc(O)c2C(=O)c31	ZINC000028759009	563078056	/nfs/dbraw/zinc/07/80/56/563078056.db2.gz	ZXIZZZARCZJGHP-ZDUSSCGKSA-N	1	0	455.515	0.575	1	10		JCCFRO
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1[NH3+]	ZINC000028769966	563079101	/nfs/dbraw/zinc/07/91/01/563079101.db2.gz	XPBASBUSUOKBHL-QIGZZCGOSA-N	1	0	485.489	0.424	1	10		JCCFRO
C[C@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1[NH3+]	ZINC000028769968	563079041	/nfs/dbraw/zinc/07/90/41/563079041.db2.gz	XPBASBUSUOKBHL-RZNFFPIRSA-N	1	0	485.489	0.424	1	10		JCCFRO
C[NH+](C)CCNc1ccc(NCCN(CCO)CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000029486619	563105601	/nfs/dbraw/zinc/10/56/01/563105601.db2.gz	PQHCFYOBELSBBT-UHFFFAOYSA-N	1	0	472.542	0.545	1	10		JCCFRO
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@H]1O	ZINC000038943731	563135872	/nfs/dbraw/zinc/13/58/72/563135872.db2.gz	YLOIPXOZRRNIMJ-CTQMHREASA-N	1	0	485.489	0.424	1	10		JCCFRO
C[C@@H]1O[C@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@H]1O	ZINC000038943733	563135891	/nfs/dbraw/zinc/13/58/91/563135891.db2.gz	YLOIPXOZRRNIMJ-GPLQDOSBSA-N	1	0	485.489	0.424	1	10		JCCFRO
C[C@@H](O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O	ZINC000040449507	563143941	/nfs/dbraw/zinc/14/39/41/563143941.db2.gz	KMIBSUUWQWSRQV-ZIOXQRKISA-N	1	0	499.516	0.812	1	10		JCCFRO
C[C@@H]1O[C@H](O[C@H]2C[C@](O)(CCO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000058554768	563207236	/nfs/dbraw/zinc/20/72/36/563207236.db2.gz	LWRVSBUMMHWLNY-JPJLJHJTSA-N	1	0	499.516	0.814	1	10		JCCFRO