smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CSCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1	ZINC000739862949	978657355	/nfs/dbraw/zinc/65/73/55/978657355.db2.gz	PBWIVLWXEBZPNU-UHFFFAOYSA-N	-1	2	389.459	-0.259	20	50		GBGDLM
O=C([O-])[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCO1	ZINC000819194743	955437242	/nfs/dbraw/zinc/43/72/42/955437242.db2.gz	JAAQSANHTKINMQ-JTQLQIEISA-N	-1	2	385.402	-0.881	20	50		GBGDLM
O=C([O-])[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCO1	ZINC000819194745	955437029	/nfs/dbraw/zinc/43/70/29/955437029.db2.gz	JAAQSANHTKINMQ-SNVBAGLBSA-N	-1	2	385.402	-0.881	20	50		GBGDLM
CC(C)(CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NC(=O)[O-]	ZINC000823941279	603457680	/nfs/dbraw/zinc/45/76/80/603457680.db2.gz	HMEIFIRFVSVILJ-UHFFFAOYSA-N	-1	2	386.434	-0.030	20	50		GBGDLM
O=C(Cn1[nH]cc2c(=O)ncnc1-2)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1	ZINC000826423864	608580185	/nfs/dbraw/zinc/58/01/85/608580185.db2.gz	KKOAXYANHAGMPJ-UHFFFAOYSA-N	-1	2	387.751	-0.557	20	50		GBGDLM
O=C(COC1CN(C(=O)[O-])C1)NNC(=O)c1csc(N2CCOCC2)n1	ZINC000831538290	603743501	/nfs/dbraw/zinc/74/35/01/603743501.db2.gz	YZXWZBVKTOAFMY-UHFFFAOYSA-N	-1	2	385.402	-0.881	20	50		GBGDLM
O=C([O-])N1CCO[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736352	604647343	/nfs/dbraw/zinc/64/73/43/604647343.db2.gz	KBNRLFVRLAMRLL-JTQLQIEISA-N	-1	2	385.402	-0.881	20	50		GBGDLM
O=C([O-])N1CCO[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736353	604647582	/nfs/dbraw/zinc/64/75/82/604647582.db2.gz	KBNRLFVRLAMRLL-SNVBAGLBSA-N	-1	2	385.402	-0.881	20	50		GBGDLM
O=C([O-])N1CC[C@@](F)(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736426	603822429	/nfs/dbraw/zinc/82/24/29/603822429.db2.gz	LSBGJJFQPSEYFU-AWEZNQCLSA-N	-1	2	387.393	-0.167	20	50		GBGDLM
O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000831736430	603822423	/nfs/dbraw/zinc/82/24/23/603822423.db2.gz	LSBGJJFQPSEYFU-CQSZACIVSA-N	-1	2	387.393	-0.167	20	50		GBGDLM
O=C([O-])N1CC(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1	ZINC000834034856	605728728	/nfs/dbraw/zinc/72/87/28/605728728.db2.gz	AZMYOTVFKUJOPT-UHFFFAOYSA-N	-1	2	384.418	-0.467	20	50		GBGDLM
C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)C(F)(F)Oc1ccccc1)C(=O)[O-]	ZINC001599896942	984764663	/nfs/dbraw/zinc/76/46/63/984764663.db2.gz	BWDLCTLDCDIFPE-IUCAKERBSA-N	-1	2	388.327	-0.034	20	50		GBGDLM