smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c2ccc3ccccc3c2n1	ZINC000040384391	221920942	/nfs/dbraw/zinc/92/09/42/221920942.db2.gz	OEVGAJXZIVQKAF-UHFFFAOYSA-N	-1	1	376.481	5.114	40	5		GKBBMM
COc1cc(C)ccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1[O-]	ZINC000005362749	570435034	/nfs/dbraw/zinc/43/50/34/570435034.db2.gz	KNACELLREDRXJZ-UHFFFAOYSA-N	-1	1	396.446	5.749	40	5		GKBBMM
Cc1c2nc(-c3ccc([N+](=O)[O-])cc3)oc2c(C(C)C)c([O-])c1Br	ZINC000026787180	570437658	/nfs/dbraw/zinc/43/76/58/570437658.db2.gz	MEGCDAKSOVWRNB-UHFFFAOYSA-N	-1	1	391.221	5.303	40	5		GKBBMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)nc3c4ccccc4ccc23)c1	ZINC000040384458	206193081	/nfs/dbraw/zinc/19/30/81/206193081.db2.gz	BPRPINXRJAEMAS-UHFFFAOYSA-N	-1	1	376.481	5.114	40	5		GKBBMM
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccc3ccccc3c2n1	ZINC000040384465	209093424	/nfs/dbraw/zinc/09/34/24/209093424.db2.gz	SIIQDIBCTJSMCS-UHFFFAOYSA-N	-1	1	382.872	5.151	40	5		GKBBMM
CC(C)=CCC/C(C)=C/COc1ccc2oc3cc([O-])cc(O)c3c(=O)c2c1	ZINC000014821965	560226852	/nfs/dbraw/zinc/22/68/52/560226852.db2.gz	WOPKDKPJTJHLPB-OQLLNIDSSA-N	-1	1	380.440	5.429	40	5	biogenic,in-vitro	GKBBMM
COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2[O-])cc1	ZINC000004720972	570397554	/nfs/dbraw/zinc/39/75/54/570397554.db2.gz	HRNSEOMPRWUKQL-UHFFFAOYSA-N	-1	1	382.419	5.441	40	5		GKBBMM
Cc1sc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)[n-]c(=O)c2c1C	ZINC000408735213	231108009	/nfs/dbraw/zinc/10/80/09/231108009.db2.gz	ONVWXLRZPZQNOE-UHFFFAOYSA-N	-1	1	381.413	5.157	40	5		GKBBMM
Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)[n-]c(=O)c2c1C	ZINC000408735788	231108502	/nfs/dbraw/zinc/10/85/02/231108502.db2.gz	XSKIWUOUOYIQEQ-UHFFFAOYSA-N	-1	1	381.413	5.157	40	5		GKBBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc3c4ccccc4ccc23)c(C)c1	ZINC000040384488	206194357	/nfs/dbraw/zinc/19/43/57/206194357.db2.gz	OYIJYMJLYVZENM-UHFFFAOYSA-N	-1	1	376.481	5.114	40	5		GKBBMM