smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)NCc1ccc(Cl)cc1	ZINC000072320710	553647819	/nfs/dbraw/zinc/64/78/19/553647819.db2.gz	HRUUYTUOYIIEIA-ZEQRLZLVSA-N	1	0	554.135	3.183	10	10		KGCERO
CN(Cc1ccccc1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N(C)CC[NH+](C)C)cc1CNCC2=O	ZINC000072320723	553647883	/nfs/dbraw/zinc/64/78/83/553647883.db2.gz	JQCMSXZXLXTRMH-SVBPBHIXSA-N	1	0	549.760	3.460	10	10		KGCERO
COc1ccc(N2CC[NH+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCC(C)C)CC2)cc1	ZINC000101533420	554795334	/nfs/dbraw/zinc/79/53/34/554795334.db2.gz	KLWOTTPKJFKFPL-UHFFFAOYSA-N	1	0	559.715	3.360	10	10		KGCERO
COc1ccc(N2CC[NH+](CCCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4CCCOC(C)C)CC2)cc1	ZINC000101533684	554795307	/nfs/dbraw/zinc/79/53/07/554795307.db2.gz	JRLWZLYKJXMTLT-UHFFFAOYSA-N	1	0	589.741	3.129	10	10		KGCERO
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000242687730	562881257	/nfs/dbraw/zinc/88/12/57/562881257.db2.gz	USZYSDMBJDPRIF-JBRLXXSRSA-N	1	0	811.878	3.158	10	10		KGCERO
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000242687731	562881260	/nfs/dbraw/zinc/88/12/60/562881260.db2.gz	USZYSDMBJDPRIF-NMNDOWIQSA-N	1	0	811.878	3.158	10	10		KGCERO
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O[C@@H]3C[C@H](O)[C@H](O[C@@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000242687732	562881255	/nfs/dbraw/zinc/88/12/55/562881255.db2.gz	USZYSDMBJDPRIF-NOJQZSRNSA-N	1	0	811.878	3.158	10	10		KGCERO