smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3c(cccc3O)c21	ZINC000095617650	571795388	/nfs/dbraw/zinc/79/53/88/571795388.db2.gz	GPPVNZVFGNMPNR-MRXNPFEDSA-N	0	3	422.481	3.444	1	0	endogenous,world	HGAFHN
COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3c(cccc3O)c21	ZINC000095617649	571795412	/nfs/dbraw/zinc/79/54/12/571795412.db2.gz	GPPVNZVFGNMPNR-INIZCTEOSA-N	0	3	422.481	3.444	1	0	endogenous,world	HGAFHN
CC(=O)Nc1cc(-c2cccc(OC3CCN(C)CC3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040891882	581093612	/nfs/dbraw/zinc/09/36/12/581093612.db2.gz	SUAVPMVHEWSQAQ-UHFFFAOYSA-N	0	3	420.517	3.378	1	0		HGAFHN
CC(=O)Nc1cc(-c2cc(F)cc(O[C@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040896184	581093515	/nfs/dbraw/zinc/09/35/15/581093515.db2.gz	KNRXPSXSKMZADD-SFHVURJKSA-N	0	3	424.480	3.127	1	0		HGAFHN
Cc1ccc2c(cccc2N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000003959323	132269576	/nfs/dbraw/zinc/26/95/76/132269576.db2.gz	KGVROJQOCQABGA-UHFFFAOYSA-N	0	3	402.498	3.239	1	0		HGAFHN
CCCN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1	ZINC000028570038	581097500	/nfs/dbraw/zinc/09/75/00/581097500.db2.gz	YEVWEVZCZZLCDV-UHFFFAOYSA-N	0	3	422.504	3.211	1	0		HGAFHN
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21	ZINC000004101936	132271178	/nfs/dbraw/zinc/27/11/78/132271178.db2.gz	FHAVJCJYODMKDI-UHFFFAOYSA-N	0	3	419.591	3.015	3	0		HGAFHN
CC(C)(C)c1noc([C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)n1	ZINC000045246030	581091752	/nfs/dbraw/zinc/09/17/52/581091752.db2.gz	CRRAGSMZDXBBKM-WBMJQRKESA-N	0	3	410.440	3.408	1	0		HGAFHN
C[C@H]1CN(C(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2O1	ZINC000006798293	132317259	/nfs/dbraw/zinc/31/72/59/132317259.db2.gz	UTYFITKPPJFLEB-IBGZPJMESA-N	0	3	421.541	3.362	3	0		HGAFHN
CN1CCN(c2ccc3nc(-c4c(N)c5c(Cl)cccc5[nH]c4=O)[nH]c3c2)CC1	ZINC000040952773	581099993	/nfs/dbraw/zinc/09/99/93/581099993.db2.gz	HWEVEQFMAGTKGM-UHFFFAOYSA-N	0	3	408.893	3.059	1	0		HGAFHN
CCN1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1	ZINC000040423583	581095746	/nfs/dbraw/zinc/09/57/46/581095746.db2.gz	YUDPJZYRAIXXMD-UHFFFAOYSA-N	0	3	418.541	3.485	1	0		HGAFHN
Cc1nc2nc(N3CCSCC3)nn2c(-c2ccc(Cl)cc2Cl)c1CN	ZINC000058506720	581093224	/nfs/dbraw/zinc/09/32/24/581093224.db2.gz	QHCFSEJTDJDSGH-UHFFFAOYSA-N	0	3	409.346	3.418	1	0		HGAFHN
Cc1ccc(Cc2cnc(NCCSCc3ccc(C(C)(C)[NH3+])o3)[n-]c2=O)cn1	ZINC000001841483	560184830	/nfs/dbraw/zinc/18/48/30/560184830.db2.gz	CZTPLYMKHNEVHO-UHFFFAOYSA-N	0	3	413.547	3.196	1	0	in-vitro	HGAFHN
CC(=O)Nc1cc(-c2cccc(O[C@H]3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040402509	581093558	/nfs/dbraw/zinc/09/35/58/581093558.db2.gz	UUVIEOWDBDXRFC-FQEVSTJZSA-N	0	3	420.517	3.378	1	0		HGAFHN
CC(=O)Nc1cc(-c2cc(F)cc(O[C@@H]3CCN(C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040895689	581093543	/nfs/dbraw/zinc/09/35/43/581093543.db2.gz	KNRXPSXSKMZADD-GOSISDBHSA-N	0	3	424.480	3.127	1	0		HGAFHN
COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c2[nH]c3ccccc3c21	ZINC000006019305	571690088	/nfs/dbraw/zinc/69/00/88/571690088.db2.gz	UQJJKVKQRTUYJW-INIZCTEOSA-N	0	3	422.481	3.444	1	0	endogenous,world	HGAFHN
CC(=O)Nc1cc(-c2cccc(O[C@@H]3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1	ZINC000040402506	581093592	/nfs/dbraw/zinc/09/35/92/581093592.db2.gz	UUVIEOWDBDXRFC-HXUWFJFHSA-N	0	3	420.517	3.378	1	0		HGAFHN
CC(C)(F)c1nc([C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)no1	ZINC000045254910	581094216	/nfs/dbraw/zinc/09/42/16/581094216.db2.gz	RHMVNRUGRITMJY-ABAIWWIYSA-N	0	3	414.403	3.315	1	0		HGAFHN
COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c2[nH]c3ccccc3c21	ZINC000001540640	571680061	/nfs/dbraw/zinc/68/00/61/571680061.db2.gz	UQJJKVKQRTUYJW-MRXNPFEDSA-N	0	3	422.481	3.444	1	0	endogenous,world	HGAFHN
O=C1NCc2cccc(-c3cc4cc(OCCCN5CCC(O)CC5)ccc4[nH]3)c21	ZINC000040949518	581098095	/nfs/dbraw/zinc/09/80/95/581098095.db2.gz	XFVLOFSAMRZDHH-UHFFFAOYSA-N	0	3	405.498	3.304	1	0		HGAFHN
C[C@@H]1CN(C(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2O1	ZINC000006798292	132317235	/nfs/dbraw/zinc/31/72/35/132317235.db2.gz	UTYFITKPPJFLEB-LJQANCHMSA-N	0	3	421.541	3.362	3	0		HGAFHN