smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)NC(=O)C(=CNCCCn2cc[nH+]c2)C1=O	ZINC000100766844	351781384	/nfs/dbraw/zinc/78/13/84/351781384.db2.gz	XNIVVGAFQIGHQQ-VQHVLOKHSA-N	1	2	277.284	-0.545	50	10		CBCALO
CN1C(=O)C(=CNCCc2c[nH]c[nH+]2)C(=O)N(C)C1=O	ZINC000019899369	351352134	/nfs/dbraw/zinc/35/21/34/351352134.db2.gz	LHORNJMFAUTSOP-UHFFFAOYSA-N	1	2	277.284	-0.524	50	10		CBCALO
CN1C(=O)C(=CNCCc2c[nH+]c[nH]2)C(=O)N(C)C1=O	ZINC000019899369	351352140	/nfs/dbraw/zinc/35/21/40/351352140.db2.gz	LHORNJMFAUTSOP-UHFFFAOYSA-N	1	2	277.284	-0.524	50	10		CBCALO
CC[NH+](CC)CCNC=C1C(=O)NC(=O)NC1=O	ZINC000019594218	351350371	/nfs/dbraw/zinc/35/03/71/351350371.db2.gz	ADYDSPKZZGGHPG-UHFFFAOYSA-N	1	2	254.290	-0.832	50	10		CBCALO
O=C1NC(=S)NC(=O)C1=CNCCCn1cc[nH+]c1	ZINC000100777895	351781630	/nfs/dbraw/zinc/78/16/30/351781630.db2.gz	SVSGGFQXIYBOEA-UHFFFAOYSA-N	1	2	279.325	-0.722	50	10		CBCALO
CN1C(=O)C(=CNCCCn2cc[nH+]c2)C(=O)N(C)C1=O	ZINC000019758757	351352078	/nfs/dbraw/zinc/35/20/78/351352078.db2.gz	YLCFTJPTPZKWIY-UHFFFAOYSA-N	1	2	291.311	-0.203	50	10		CBCALO
CN1C(=O)C(=CNCCCn2cc[nH+]c2)C(=O)NC1=S	ZINC000006420955	170199908	/nfs/dbraw/zinc/19/99/08/170199908.db2.gz	IEJFCVSSRHOPGQ-VQHVLOKHSA-N	1	2	293.352	-0.380	50	10		CBCALO
O=C1NC(=O)C(=CNCCCn2cc[nH+]c2)C(=O)N1	ZINC000006447027	170202147	/nfs/dbraw/zinc/20/21/47/170202147.db2.gz	HOZKMTQXGBGNSX-UHFFFAOYSA-N	1	2	263.257	-0.887	50	10		CBCALO
O=C1NC(=O)C(=CNCC[NH+]2CCCCC2)C(=O)N1	ZINC000020024903	351354003	/nfs/dbraw/zinc/35/40/03/351354003.db2.gz	BDWJMZZVLNLRQT-UHFFFAOYSA-N	1	2	266.301	-0.688	50	10		CBCALO