smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C\c2ccccc2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409192420	570738028	/nfs/dbraw/zinc/73/80/28/570738028.db2.gz	CGQSZGAPJRXRPD-JMZICWNOSA-N	-2	1	360.391	1.351	40	30		FDEBML
[O-]c1c(Br)cc(CN=Nc2nn[n-]n2)cc1Br	ZINC000100949459	525217358	/nfs/dbraw/zinc/21/73/58/525217358.db2.gz	CKZDWLJGPRACOW-QDEBKDIKSA-N	-2	1	361.985	1.876	40	30		FDEBML
O=C([O-])c1ccc(S(=O)(=O)N=C([O-])NN2C[C@@H]3CCC[C@@H]3C2)cc1	ZINC000077285350	523285301	/nfs/dbraw/zinc/28/53/01/523285301.db2.gz	DSNDPTBTZSQWJS-TXEJJXNPSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
O=C([O-])c1ccc(S(=O)([O-])=NC(=O)NN2C[C@@H]3CCC[C@@H]3C2)cc1	ZINC000077285350	523285306	/nfs/dbraw/zinc/28/53/06/523285306.db2.gz	DSNDPTBTZSQWJS-TXEJJXNPSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
NC1=NN(c2ccccc2)C(=O)C1=N[N-]c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000035570562	207212242	/nfs/dbraw/zinc/21/22/42/207212242.db2.gz	WCUVUDBYHWMKJK-CPNJWEJPSA-N	-2	1	368.309	1.380	40	30		FDEBML
NC(=S)N/N=C\c1cc(Br)c([O-])c(Br)c1[O-]	ZINC000006132350	518364103	/nfs/dbraw/zinc/36/41/03/518364103.db2.gz	UTJSDBUUDHPLQY-OIXVIMQBSA-N	-2	1	369.038	1.790	40	30		FDEBML
O=C([O-])c1ccc(S(=O)(=O)N=C([O-])NN2C[C@H]3CCC[C@@H]3C2)cc1	ZINC000077285352	523284262	/nfs/dbraw/zinc/28/42/62/523284262.db2.gz	DSNDPTBTZSQWJS-VXGBXAGGSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
O=C([O-])c1ccc(S(=O)([O-])=NC(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1	ZINC000077285352	523284268	/nfs/dbraw/zinc/28/42/68/523284268.db2.gz	DSNDPTBTZSQWJS-VXGBXAGGSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
O=C([O-])c1ccc(S(=O)(=O)N=C([O-])NN2C[C@@H]3CCC[C@H]3C2)cc1	ZINC000077285355	523283568	/nfs/dbraw/zinc/28/35/68/523283568.db2.gz	DSNDPTBTZSQWJS-RYUDHWBXSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
O=C([O-])c1ccc(S(=O)([O-])=NC(=O)NN2C[C@@H]3CCC[C@H]3C2)cc1	ZINC000077285355	523283570	/nfs/dbraw/zinc/28/35/70/523283570.db2.gz	DSNDPTBTZSQWJS-RYUDHWBXSA-N	-2	1	353.400	1.224	40	30	in-vitro	FDEBML
C=CCN1C(=O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)[N-]C1=S	ZINC000101242064	525218558	/nfs/dbraw/zinc/21/85/58/525218558.db2.gz	UGZVIDDNWUNNAQ-WEVVVXLNSA-N	-2	1	367.770	1.767	40	30		FDEBML
C=CCN1C(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409192422	570738006	/nfs/dbraw/zinc/73/80/06/570738006.db2.gz	CGQSZGAPJRXRPD-WJEYQPDNSA-N	-2	1	360.391	1.351	40	30		FDEBML
[O-]c1c(Br)cc(CN=Nc2nn[n-]n2)cc1Br	ZINC000100949455	222257297	/nfs/dbraw/zinc/25/72/97/222257297.db2.gz	CKZDWLJGPRACOW-JYOAFUTRSA-N	-2	1	361.985	1.876	40	30		FDEBML
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2nccs2)c([O-])c2ccccc21	ZINC000100353756	222241539	/nfs/dbraw/zinc/24/15/39/222241539.db2.gz	QDYCATYTUJHSHE-UHFFFAOYSA-N	-2	1	368.378	1.003	40	30		FDEBML