smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(-c2ccccc2)o1	ZINC000217974042	569455471	/nfs/dbraw/zinc/45/54/71/569455471.db2.gz	CEXMPXLMHXDUME-HNNXBMFYSA-N	0	1	430.412	4.711	50	70	biogenic	IJIAMN
O=C(Nc1nc(-c2ccccn2)cs1)C1CN(C(c2ccccc2)c2ccccc2)C1	ZINC000218288860	557188482	/nfs/dbraw/zinc/18/84/82/557188482.db2.gz	WAUHLVIIEMNNGV-UHFFFAOYSA-N	0	1	426.545	4.865	50	70		IJIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1	ZINC000217974133	569455491	/nfs/dbraw/zinc/45/54/91/569455491.db2.gz	CEXMPXLMHXDUME-OAHLLOKOSA-N	0	1	430.412	4.711	50	70	biogenic	IJIAMN
COc1ccccc1-c1n[nH]c(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)n1	ZINC000218218202	557182858	/nfs/dbraw/zinc/18/28/58/557182858.db2.gz	OVPQSEVZMLDSAL-QGZVFWFLSA-N	0	1	435.915	4.748	50	70		IJIAMN
O=C(Nc1nc(-c2cccnc2)cs1)C1CN(C(c2ccccc2)c2ccccc2)C1	ZINC000218307909	557191676	/nfs/dbraw/zinc/19/16/76/557191676.db2.gz	VKGXZLFYGOZXDQ-UHFFFAOYSA-N	0	1	426.545	4.865	50	70		IJIAMN
COc1ccccc1-c1n[nH]c(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)n1	ZINC000218218305	557182719	/nfs/dbraw/zinc/18/27/19/557182719.db2.gz	OVPQSEVZMLDSAL-KRWDZBQOSA-N	0	1	435.915	4.748	50	70		IJIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c2ccccc12	ZINC000218111948	569456395	/nfs/dbraw/zinc/45/63/95/569456395.db2.gz	HBAKUPPRJKAWMF-QGZVFWFLSA-N	0	1	444.439	4.612	50	70	biogenic	IJIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c2ccccc12	ZINC000218111865	569456359	/nfs/dbraw/zinc/45/63/59/569456359.db2.gz	HBAKUPPRJKAWMF-KRWDZBQOSA-N	0	1	444.439	4.612	50	70	biogenic	IJIAMN
COCc1n[nH]c(-c2ccc(NC(=O)C[C@@H](Cn3cccc3)c3ccc(Cl)cc3)cc2)n1	ZINC000218354616	569457125	/nfs/dbraw/zinc/45/71/25/569457125.db2.gz	YBANSRSRKDVMGT-IBGZPJMESA-N	0	1	449.942	4.886	50	70		IJIAMN
O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1	ZINC000218230449	557183377	/nfs/dbraw/zinc/18/33/77/557183377.db2.gz	PSZYNGHPHZXANT-UHFFFAOYSA-N	0	1	428.536	4.684	50	70		IJIAMN
COCc1n[nH]c(-c2ccc(NC(=O)C[C@H](Cn3cccc3)c3ccc(Cl)cc3)cc2)n1	ZINC000218354551	569457100	/nfs/dbraw/zinc/45/71/00/569457100.db2.gz	YBANSRSRKDVMGT-LJQANCHMSA-N	0	1	449.942	4.886	50	70		IJIAMN