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(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(OS(=O)(=O)C(F)(F)F)NC[C@H]12	ZINC000043889126	562651161	/nfs/dbraw/zinc/65/11/61/562651161.db2.gz	SDLMCKGLFZGHTA-AEFFLSMTSA-N	0	0	539.488	1.307	1	70		KDIFRN
CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNS(=O)(=O)c4cccc(S(=O)(=O)Cl)c4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000049774734	562678732	/nfs/dbraw/zinc/67/87/32/562678732.db2.gz	XGEKOCQVJNXFGR-UHFFFAOYSA-N	0	0	667.166	1.774	1	70		KDIFRN
CC(=O)OC[C@H]1O[C@@H](N2c3ccccc3/C(=C3\C(=O)Nc4ccc(S(=O)(=O)Cl)cc43)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000049898213	562692326	/nfs/dbraw/zinc/69/23/26/562692326.db2.gz	OFLXZGCECAMOJU-RTHCJLLDSA-N	0	0	691.067	1.907	1	70		KDIFRN
CCO[C@@H]1SC(SC)=NN1C(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N1N=C(SC)S[C@H]1OCC	ZINC000160783169	562849044	/nfs/dbraw/zinc/84/90/44/562849044.db2.gz	PVTOJZCNOLGTSK-TWAMMYLTSA-N	0	0	698.820	1.772	1	70		KDIFRN
CC(C)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1	ZINC000160855966	562849058	/nfs/dbraw/zinc/84/90/58/562849058.db2.gz	SKZOFFRZXFEXIO-YRLQWRJRSA-N	0	0	688.823	1.148	1	70		KDIFRN
COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1ccc(NC(=O)CCCC(C)=O)cc1)NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OC	ZINC000160879837	562849094	/nfs/dbraw/zinc/84/90/94/562849094.db2.gz	NKDJEBGWRVDILU-ISJGIBHGSA-N	0	0	692.763	1.869	1	70		KDIFRN
COC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccc(NC(=O)CCCC(C)=O)cc1)NC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OC	ZINC000160879986	562849118	/nfs/dbraw/zinc/84/91/18/562849118.db2.gz	NKDJEBGWRVDILU-GVAUOCQISA-N	0	0	692.763	1.869	1	70		KDIFRN
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)C	ZINC000160937085	562849126	/nfs/dbraw/zinc/84/91/26/562849126.db2.gz	SLLLAIADHHHUAB-KNWHVVHCSA-N	0	0	718.893	1.153	1	70		KDIFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@@H](C)O1	ZINC000169373019	562864871	/nfs/dbraw/zinc/86/48/71/562864871.db2.gz	QFVZNFILGZRNIT-YHGYSGNUSA-N	0	0	729.688	1.131	1	70		KDIFRN
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)[C@@H]3O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1	ZINC000161239861	562849149	/nfs/dbraw/zinc/84/91/49/562849149.db2.gz	TWOWSRSKGJSZHZ-CGVRWXRGSA-N	0	0	772.856	1.034	3	70		KDIFRN
COc1ccc(C[C@@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1	ZINC000161413766	562849180	/nfs/dbraw/zinc/84/91/80/562849180.db2.gz	VXVGFMUNENQGFW-SZEWSLOJSA-N	0	0	756.857	1.543	3	70		KDIFRN