smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc43)CC2)c1	ZINC000013492662	581096242	/nfs/dbraw/zinc/09/62/42/581096242.db2.gz	CQGCCVPXYLTEHT-UHFFFAOYSA-N	0	3	417.553	4.181	1	0		HIAFHN
O=c1[nH]c2ccc(OC3CCN(Cc4ccccc4)CC3)cc2c2c1CSCC2	ZINC000049793964	581101154	/nfs/dbraw/zinc/10/11/54/581101154.db2.gz	SEPPFUUHMIHNJR-UHFFFAOYSA-N	0	3	406.551	4.361	1	0		HIAFHN
Nc1cc2cccc3c2c(c1)C(=O)N(c1ccc(OCCN2CCCCC2)cc1)C3=O	ZINC000001648679	132247456	/nfs/dbraw/zinc/24/74/56/132247456.db2.gz	HKDJHWLQLZKDKT-UHFFFAOYSA-N	0	3	415.493	4.087	1	0		HIAFHN
COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1	ZINC000014953623	560227767	/nfs/dbraw/zinc/22/77/67/560227767.db2.gz	UVEKKXRFQCNLQE-BJKOFHAPSA-N	0	3	421.493	4.254	1	0	in-vitro	HIAFHN
Cc1cccc(Cl)c1Nc1nc2cnc(N3C[C@@H](C)N[C@@H](C)C3)cc2n2cncc12	ZINC000013582054	581092877	/nfs/dbraw/zinc/09/28/77/581092877.db2.gz	MKSCFUMSRMTDBL-GASCZTMLSA-N	0	3	421.936	4.170	1	0		HIAFHN
COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1	ZINC000001552565	560182094	/nfs/dbraw/zinc/18/20/94/560182094.db2.gz	UVEKKXRFQCNLQE-ZEQRLZLVSA-N	0	3	421.493	4.254	1	0	in-vitro	HIAFHN
Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN(C)CC3)cc2n2cncc12	ZINC000013860324	581092796	/nfs/dbraw/zinc/09/27/96/581092796.db2.gz	DKECGYMSIZVLSZ-UHFFFAOYSA-N	0	3	406.921	4.340	1	0		HIAFHN
O=c1[nH]c2cc(Nc3ccccc3)c(N3CCNCC3)cc2n1CC1CCCCC1	ZINC000003942720	132269224	/nfs/dbraw/zinc/26/92/24/132269224.db2.gz	KDXLARCEIFDUMM-UHFFFAOYSA-N	0	3	405.546	4.063	1	0		HIAFHN
CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21	ZINC000049109970	581095392	/nfs/dbraw/zinc/09/53/92/581095392.db2.gz	IFGWYHGYNVGVRB-UHFFFAOYSA-N	0	3	416.472	4.054	1	0	in-man	HIAFHN
COc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc(Br)c2ccccc21	ZINC000013862862	581096143	/nfs/dbraw/zinc/09/61/43/581096143.db2.gz	JBWREVQKLWMQCO-AWEZNQCLSA-N	0	3	417.347	4.358	1	0		HIAFHN
O=c1[nH]c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2c2c1CSCC2	ZINC000049067008	581101256	/nfs/dbraw/zinc/10/12/56/581101256.db2.gz	KRTTZUJTZCNRDG-UHFFFAOYSA-N	0	3	420.578	4.403	1	0		HIAFHN
COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@H]1c1ccccc1	ZINC000014953628	560227835	/nfs/dbraw/zinc/22/78/35/560227835.db2.gz	UVEKKXRFQCNLQE-RPWUZVMVSA-N	0	3	421.493	4.254	1	0	in-vitro	HIAFHN
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(N3CCNCC3)cc2)cc1	ZINC000012353872	132358909	/nfs/dbraw/zinc/35/89/09/132358909.db2.gz	ODYADVKZTZANGH-BJKOFHAPSA-N	0	3	420.534	4.475	1	0		HIAFHN
COc1c(C(=O)NC[C@@H]2CCCN2C2CCC2)cc(Br)c2ccccc21	ZINC000013862873	581096113	/nfs/dbraw/zinc/09/61/13/581096113.db2.gz	AFSSAOBKLVREBP-HNNXBMFYSA-N	0	3	417.347	4.358	1	0		HIAFHN