smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(CC(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000045393282	205121219	/nfs/dbraw/zinc/12/12/19/205121219.db2.gz	WUVBBGWNBMGGLP-UHFFFAOYSA-N	0	1	357.410	4.705	1	5		FJBFMN
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2C[C@@H]2CCCCN2C1	ZINC000013378558	291085007	/nfs/dbraw/zinc/08/50/07/291085007.db2.gz	HIIPBPYYJOYQBL-AWEZNQCLSA-N	0	1	363.457	4.626	1	5	biogenic,in-vitro	FJBFMN
COc1ccc2c(oc3c2c(=O)oc2cc(O)ccc32)c1CC=C(C)C	ZINC000049088338	205169266	/nfs/dbraw/zinc/16/92/66/205169266.db2.gz	IPNXSQTYICCBKP-UHFFFAOYSA-N	0	1	350.370	4.915	1	5		FJBFMN
Clc1cccc(Nc2nc3cc(-c4nnc[nH]4)ccc3c3cnccc32)c1	ZINC000066102804	205363879	/nfs/dbraw/zinc/36/38/79/205363879.db2.gz	ADFWBLXRNNBBMX-UHFFFAOYSA-N	0	1	372.819	4.965	1	5		FJBFMN
Cc1ccc(S(=O)(=O)c2cc(O)c3cc4ccccc4cc3c2O)cc1	ZINC000040835989	220922940	/nfs/dbraw/zinc/92/29/40/220922940.db2.gz	DKOISANXNBXJMG-UHFFFAOYSA-N	0	1	364.422	4.545	1	5	in-vivo	FJBFMN
O=[N+]([O-])c1ccccc1[C@@H]1c2ccccc2CCN1CCOc1ccccc1	ZINC000040395334	208251594	/nfs/dbraw/zinc/25/15/94/208251594.db2.gz	KPPMUOJFHASOQF-QHCPKHFHSA-N	0	1	374.440	4.621	1	5		FJBFMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Oc1ccccc1	ZINC000045201029	208327496	/nfs/dbraw/zinc/32/74/96/208327496.db2.gz	MHEWCJHSRKVNIF-UHFFFAOYSA-N	0	1	365.345	4.737	1	5		FJBFMN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)ccc1O	ZINC000095603164	209085266	/nfs/dbraw/zinc/08/52/66/209085266.db2.gz	OPCFESYTPXDZHL-UHFFFAOYSA-N	0	1	368.776	4.873	1	5		FJBFMN
CCCN1CCc2c3ccc(OC)c(OC)c3c3ccc(OC)cc3c2C1	ZINC000095579213	209082583	/nfs/dbraw/zinc/08/25/83/209082583.db2.gz	IIWZKANXZUBPOV-UHFFFAOYSA-N	0	1	365.473	4.787	1	5		FJBFMN