smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000004322285	557540897	/nfs/dbraw/zinc/54/08/97/557540897.db2.gz	UPRODJUSGUMBHY-GXSCZLKQSA-N	0	2	400.375	4.712	10	30		HJEELN
C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c(=O)c2c(O)c(-c3ccc(O)cc3)coc1-2	ZINC000014780962	291271931	/nfs/dbraw/zinc/27/19/31/291271931.db2.gz	ZXSXDAJQZZFAON-HXUWFJFHSA-N	0	2	422.477	4.565	10	30	biogenic	HJEELN
C=C(C)[C@H](O)Cc1c2occ(-c3ccc(O)cc3)c(O)c-2c(O)c(CC=C(C)C)c1=O	ZINC000014780962	291271932	/nfs/dbraw/zinc/27/19/32/291271932.db2.gz	ZXSXDAJQZZFAON-HXUWFJFHSA-N	0	2	422.477	4.565	10	30	biogenic	HJEELN
C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(OCC)c1O	ZINC000034234754	519125950	/nfs/dbraw/zinc/12/59/50/519125950.db2.gz	APVWSVKZGCJVIA-AQTBWJFISA-N	0	2	420.465	4.589	10	30		HJEELN
C=CCc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OC	ZINC000033323376	519125903	/nfs/dbraw/zinc/12/59/03/519125903.db2.gz	FKZZGBGYEWSZDY-UNOMPAQXSA-N	0	2	420.465	4.556	10	30		HJEELN
C=C(C)[C@@H](O)Cc1c(O)c(CC=C(C)C)c(=O)c2c(O)c(-c3ccc(O)cc3)coc1-2	ZINC000014780964	291271913	/nfs/dbraw/zinc/27/19/13/291271913.db2.gz	ZXSXDAJQZZFAON-FQEVSTJZSA-N	0	2	422.477	4.565	10	30	biogenic,in-vitro	HJEELN
C=C(C)[C@@H](O)Cc1c2occ(-c3ccc(O)cc3)c(O)c-2c(O)c(CC=C(C)C)c1=O	ZINC000014780964	291271914	/nfs/dbraw/zinc/27/19/14/291271914.db2.gz	ZXSXDAJQZZFAON-FQEVSTJZSA-N	0	2	422.477	4.565	10	30	biogenic,in-vitro	HJEELN
C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(O)c-2c1=O	ZINC000014780951	291272184	/nfs/dbraw/zinc/27/21/84/291272184.db2.gz	MHYBVRYBSLBMGT-HXUWFJFHSA-N	0	2	422.477	4.565	10	30	biogenic	HJEELN
C=C(C)[C@H](O)Cc1c(O)c2c(O)c(-c3ccc(O)cc3)coc-2c(CC=C(C)C)c1=O	ZINC000014780951	291272189	/nfs/dbraw/zinc/27/21/89/291272189.db2.gz	MHYBVRYBSLBMGT-HXUWFJFHSA-N	0	2	422.477	4.565	10	30	biogenic	HJEELN
C=C(C)[C@@H](O)Cc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(O)c-2c1=O	ZINC000014780953	291271909	/nfs/dbraw/zinc/27/19/09/291271909.db2.gz	MHYBVRYBSLBMGT-FQEVSTJZSA-N	0	2	422.477	4.565	10	30	biogenic,in-vitro	HJEELN
C=C(C)[C@@H](O)Cc1c(O)c2c(O)c(-c3ccc(O)cc3)coc-2c(CC=C(C)C)c1=O	ZINC000014780953	291271910	/nfs/dbraw/zinc/27/19/10/291271910.db2.gz	MHYBVRYBSLBMGT-FQEVSTJZSA-N	0	2	422.477	4.565	10	30	biogenic,in-vitro	HJEELN
CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1O	ZINC000004322286	557540862	/nfs/dbraw/zinc/54/08/62/557540862.db2.gz	UPRODJUSGUMBHY-LTDFWNDGSA-N	0	2	400.375	4.712	10	30		HJEELN