smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc2c3c(n(CCC[NH+]4CCOCC4)c(=O)c2c1)-c1ccccc1C3=O	ZINC000095583849	563188445	/nfs/dbraw/zinc/18/84/45/563188445.db2.gz	QHXGLDVICRZNBA-UHFFFAOYSA-N	1	2	432.476	2.722	1	10		IFCFLO
COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCC[NH+]1CCOCC1)C2=O	ZINC000095594171	563190982	/nfs/dbraw/zinc/19/09/82/563190982.db2.gz	IUKDGEDYLBGBJQ-UHFFFAOYSA-N	1	2	449.463	2.852	1	10		IFCFLO
CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(O)c(C[NH3+])c2)c(Cl)c1Cl	ZINC000028020916	563050028	/nfs/dbraw/zinc/05/00/28/563050028.db2.gz	ALANKILOFFKDDJ-UHFFFAOYSA-N	1	2	434.297	2.932	1	10		IFCFLO
CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000095567873	563183812	/nfs/dbraw/zinc/18/38/12/563183812.db2.gz	VUVKLEXVNPPSHO-FQEVSTJZSA-N	1	2	436.516	2.715	3	10		IFCFLO
COc1cc2c3c(n(CCCn4cc[nH+]c4)c(=O)c2cc1O)-c1cc2c(cc1C3=O)OCO2	ZINC000095575725	563185834	/nfs/dbraw/zinc/18/58/34/563185834.db2.gz	RFRQXMPMSQOGQU-UHFFFAOYSA-N	1	2	445.431	2.943	1	10		IFCFLO
COc1cc2c(cc1O)c1c(n(CCCn3cc[nH+]c3)c2=O)-c2cc3c(cc2C1=O)OCO3	ZINC000095573973	563185219	/nfs/dbraw/zinc/18/52/19/563185219.db2.gz	KNBSZXMDORKFHN-UHFFFAOYSA-N	1	2	445.431	2.943	1	10		IFCFLO
CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000095567874	563183853	/nfs/dbraw/zinc/18/38/53/563183853.db2.gz	VUVKLEXVNPPSHO-HXUWFJFHSA-N	1	2	436.516	2.715	3	10		IFCFLO
CCOC(=O)CN(CC[N@H+](CC(=O)OCC)Cc1ccccc1O)Cc1ccccc1O	ZINC000028233494	563051890	/nfs/dbraw/zinc/05/18/90/563051890.db2.gz	AFXRWJHARZRDJX-UHFFFAOYSA-N	1	2	444.528	2.528	1	10		IFCFLO
CCOC(=O)CN(CC[N@@H+](CC(=O)OCC)Cc1ccccc1O)Cc1ccccc1O	ZINC000028233494	563051891	/nfs/dbraw/zinc/05/18/91/563051891.db2.gz	AFXRWJHARZRDJX-UHFFFAOYSA-N	1	2	444.528	2.528	1	10		IFCFLO
COc1cc2c3c(n(CCCn4cc[nH+]c4)c(=O)c2cc1OC)-c1cc(O)c(O)cc1C3=O	ZINC000095564840	563183152	/nfs/dbraw/zinc/18/31/52/563183152.db2.gz	RILQUXKJUULSIQ-UHFFFAOYSA-N	1	2	447.447	2.928	1	10		IFCFLO
CCN(CC)c1nc(NCCNC(=O)c2cc(O)c(O)c(OC)c2)c2ccccc2[nH+]1	ZINC000040631659	563105637	/nfs/dbraw/zinc/10/56/37/563105637.db2.gz	VGWOUOKOAXQVQV-UHFFFAOYSA-N	1	2	425.489	2.738	1	10		IFCFLO