smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409067903	570718678	/nfs/dbraw/zinc/71/86/78/570718678.db2.gz	RPHZUTFGSRJLAL-UHFFFAOYSA-N	-2	0	374.349	1.027	40	30		FDEBRL
[O-]c1c(Br)cc(CN=Nc2nnn[n-]2)cc1Br	ZINC000100949459	525217338	/nfs/dbraw/zinc/21/73/38/525217338.db2.gz	CKZDWLJGPRACOW-QDEBKDIKSA-N	-2	0	361.985	1.876	40	30		FDEBRL
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])c([O-])cc1[O-])[C@@H]1C=C[C@H]2CC1	ZINC000004188379	207006351	/nfs/dbraw/zinc/00/63/51/207006351.db2.gz	JWEYZPHISMAFPP-PKSYHCJJSA-N	-2	0	357.322	1.537	40	30		FDEBRL
O=S(=O)([O-])c1ccccc1/C=N/N=C/c1ccccc1S(=O)(=O)[O-]	ZINC000001639624	518234541	/nfs/dbraw/zinc/23/45/41/518234541.db2.gz	YMOQRKHGUKKHKI-KAVGSWPWSA-N	-2	0	368.392	1.633	40	30		FDEBRL
O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)NN2C[C@@H]3CCC[C@@H]3C2)cc1	ZINC000077285350	523285290	/nfs/dbraw/zinc/28/52/90/523285290.db2.gz	DSNDPTBTZSQWJS-TXEJJXNPSA-N	-2	0	353.400	1.224	40	30	in-vitro	FDEBRL
O=S(=O)([O-])c1ccccc1/C=N\N=C/c1ccccc1S(=O)(=O)[O-]	ZINC000017023957	518773851	/nfs/dbraw/zinc/77/38/51/518773851.db2.gz	YMOQRKHGUKKHKI-VULZFCBJSA-N	-2	0	368.392	1.633	40	30		FDEBRL
O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)NN2C[C@H]3CCC[C@@H]3C2)cc1	ZINC000077285352	523284256	/nfs/dbraw/zinc/28/42/56/523284256.db2.gz	DSNDPTBTZSQWJS-VXGBXAGGSA-N	-2	0	353.400	1.224	40	30	in-vitro	FDEBRL
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])c([O-])cc1[O-])[C@H]1C=C[C@@H]2CC1	ZINC000004188378	518288709	/nfs/dbraw/zinc/28/87/09/518288709.db2.gz	JWEYZPHISMAFPP-PKXSSKLBSA-N	-2	0	357.322	1.537	40	30		FDEBRL
O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)NN2C[C@@H]3CCC[C@H]3C2)cc1	ZINC000077285355	523283558	/nfs/dbraw/zinc/28/35/58/523283558.db2.gz	DSNDPTBTZSQWJS-RYUDHWBXSA-N	-2	0	353.400	1.224	40	30	in-vitro	FDEBRL
C=CC(c1c([O-])c2cccnc2[nH]c1=O)c1c([O-])c2cccnc2[nH]c1=O	ZINC000006158394	518363699	/nfs/dbraw/zinc/36/36/99/518363699.db2.gz	XMLKKYGZKHMNRF-UHFFFAOYSA-N	-2	0	362.345	1.889	40	30		FDEBRL
O=S(=O)([O-])c1ccccc1/C=N/N=C\c1ccccc1S(=O)(=O)[O-]	ZINC000004896587	207060563	/nfs/dbraw/zinc/06/05/63/207060563.db2.gz	YMOQRKHGUKKHKI-CKOAPEAFSA-N	-2	0	368.392	1.633	40	30		FDEBRL
[O-]c1c(Br)cc(CN=Nc2nnn[n-]2)cc1Br	ZINC000100949455	222257290	/nfs/dbraw/zinc/25/72/90/222257290.db2.gz	CKZDWLJGPRACOW-JYOAFUTRSA-N	-2	0	361.985	1.876	40	30		FDEBRL
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])c([O-])cc1[O-])C31CC1	ZINC000019202555	211207585	/nfs/dbraw/zinc/20/75/85/211207585.db2.gz	RFANXZJDXURZHL-ZQZLKBNMSA-N	-2	0	369.333	1.537	40	30		FDEBRL
O=c1nc2nc(NN=Cc3ccc(Cl)cc3Cl)[n-]nc-2c(=O)[n-]1	ZINC000031939392	519470326	/nfs/dbraw/zinc/47/03/26/519470326.db2.gz	CEGROQMNTDDAII-TVPGTPATSA-N	-2	0	352.141	1.567	40	30		FDEBRL
O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])c([O-])cc1[O-])C31CC1	ZINC000005008720	518325924	/nfs/dbraw/zinc/32/59/24/518325924.db2.gz	RFANXZJDXURZHL-NDZIQZMESA-N	-2	0	369.333	1.537	40	30		FDEBRL
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059248703	522334548	/nfs/dbraw/zinc/33/45/48/522334548.db2.gz	CTTSCOCIJHIGQT-CNHKJKLMSA-N	-2	0	360.395	1.658	40	30		FDEBRL
CCOC(=O)/C(CCCCC(=O)[O-])=N\N=c1nc(C(F)(F)F)[nH][n-]1	ZINC000584906189	551567968	/nfs/dbraw/zinc/56/79/68/551567968.db2.gz	IXFQVCGEUYOKBA-IDUWFGFVSA-N	-2	0	351.285	1.800	40	30		FDEBRL