smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)n[nH]1	ZINC000217734105	568908777	/nfs/dbraw/zinc/90/87/77/568908777.db2.gz	CHFULILCCOBUKN-GJZGRUSLSA-N	0	1	406.442	1.861	50	70		HDIAMN
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)n[nH]1	ZINC000217734029	568908841	/nfs/dbraw/zinc/90/88/41/568908841.db2.gz	CHFULILCCOBUKN-GASCZTMLSA-N	0	1	406.442	1.861	50	70		HDIAMN
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)oc1=O	ZINC000217992229	568922447	/nfs/dbraw/zinc/92/24/47/568922447.db2.gz	KORRVKDJTVVZJH-GFCCVEGCSA-N	0	1	413.382	1.962	50	70	biogenic	HDIAMN
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)oc1=O	ZINC000217992151	568922465	/nfs/dbraw/zinc/92/24/65/568922465.db2.gz	KORRVKDJTVVZJH-LBPRGKRZSA-N	0	1	413.382	1.962	50	70	biogenic	HDIAMN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2cccnc2)CC1	ZINC000218344269	568478861	/nfs/dbraw/zinc/47/88/61/568478861.db2.gz	WAQZYKRESISBCJ-IBGZPJMESA-N	0	1	407.474	1.303	50	70		HDIAMN
COc1ccccc1-c1n[nH]c(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1	ZINC000217676509	568473417	/nfs/dbraw/zinc/47/34/17/568473417.db2.gz	OEJZGBMUNHIHHG-AWEZNQCLSA-N	0	1	406.402	1.560	50	70	biogenic	HDIAMN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1cnc[nH]1	ZINC000217864396	568916629	/nfs/dbraw/zinc/91/66/29/568916629.db2.gz	QFMMVHRYSCJVNX-HXUWFJFHSA-N	0	1	401.426	1.883	50	70	biogenic	HDIAMN
COc1ccc(-c2n[nH]c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n2)cc1	ZINC000217682404	568905784	/nfs/dbraw/zinc/90/57/84/568905784.db2.gz	RTMAPTMCCQBYGA-INIZCTEOSA-N	0	1	420.429	1.950	50	70	biogenic	HDIAMN
COc1ccccc1-c1cc(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)n[nH]1	ZINC000217734208	568908795	/nfs/dbraw/zinc/90/87/95/568908795.db2.gz	CHFULILCCOBUKN-HUUCEWRRSA-N	0	1	406.442	1.861	50	70		HDIAMN
CC(C)Cc1nc(NC(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)n[nH]1	ZINC000218496524	568879088	/nfs/dbraw/zinc/87/90/88/568879088.db2.gz	POMRVUVTVNEKQN-AWEZNQCLSA-N	0	1	402.430	1.634	50	70		HDIAMN
CC(C)Cc1n[nH]c(NC(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)n1	ZINC000218496524	568879091	/nfs/dbraw/zinc/87/90/91/568879091.db2.gz	POMRVUVTVNEKQN-AWEZNQCLSA-N	0	1	402.430	1.634	50	70		HDIAMN
CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n[nH]1	ZINC000218168457	568475987	/nfs/dbraw/zinc/47/59/87/568475987.db2.gz	POOZFTRGXDHPGQ-AWEZNQCLSA-N	0	1	402.430	1.982	50	70		HDIAMN
CC(C)Cc1n[nH]c(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1	ZINC000218168457	568475988	/nfs/dbraw/zinc/47/59/88/568475988.db2.gz	POOZFTRGXDHPGQ-AWEZNQCLSA-N	0	1	402.430	1.982	50	70		HDIAMN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1cnc[nH]1	ZINC000217864476	568916599	/nfs/dbraw/zinc/91/65/99/568916599.db2.gz	QFMMVHRYSCJVNX-FQEVSTJZSA-N	0	1	401.426	1.883	50	70	biogenic	HDIAMN
O=C(CCNS(=O)(=O)c1c(F)cccc1F)NCCSC1CCOCC1	ZINC000217703489	568907337	/nfs/dbraw/zinc/90/73/37/568907337.db2.gz	OZVXKZIOZPAIIV-UHFFFAOYSA-N	0	1	408.492	1.662	50	70		HDIAMN