smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=CCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)C(F)(F)F)C1=O	ZINC000073129403	205355612	/nfs/dbraw/zinc/35/56/12/205355612.db2.gz	WXFGDIZWAJWLMO-MRXNPFEDSA-N	0	2	389.333	2.074	1	30		GEEFLN
CC(NNc1ccc([N+](=O)[O-])cc1)=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000103235918	533415707	/nfs/dbraw/zinc/41/57/07/533415707.db2.gz	ARLKCVZAUWMKAF-PZUDMAOCSA-N	0	2	381.348	2.282	1	30		GEEFLN
CCO[C@H]1C2C(=O)C(=C(C)CO)C(=O)C(=O)C2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913326	291114395	/nfs/dbraw/zinc/11/43/95/291114395.db2.gz	RKFLDMZOLRTDIZ-QXOWTWAZSA-N	0	2	392.492	2.488	1	30	biogenic,in-vitro	GEEFLN
CCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(OC)=CC2=O	ZINC000038152105	205035561	/nfs/dbraw/zinc/03/55/61/205035561.db2.gz	MNXYZJXZSDQWRY-UHFFFAOYSA-N	0	2	385.420	2.306	1	30		GEEFLN
CC(NNc1ccc([N+](=O)[O-])cc1)=C1C(=O)NC(=O)N(c2ccccc2)C1=O	ZINC000103235920	533416128	/nfs/dbraw/zinc/41/61/28/533416128.db2.gz	ARLKCVZAUWMKAF-BBJIBYMTSA-N	0	2	381.348	2.282	1	30		GEEFLN
O=S(=O)(N=C(NO)Nc1ccc(Cl)cc1)c1cccc2snnc21	ZINC000026379037	207312694	/nfs/dbraw/zinc/31/26/94/207312694.db2.gz	RGGVGXAVELXFOH-UHFFFAOYSA-N	0	2	383.842	2.480	1	30		GEEFLN
C=CCn1c(O)c(CC)c(=O)nc1SCC(=O)Nc1ccccc1OC	ZINC000101719752	209140710	/nfs/dbraw/zinc/14/07/10/209140710.db2.gz	IWOQMZNYEZABMG-UHFFFAOYSA-N	0	2	375.450	2.437	3	30	aggregator	GEEFLN
C#CCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21	ZINC000101035798	209138995	/nfs/dbraw/zinc/13/89/95/209138995.db2.gz	UBFCDOBDOWHJJR-UHFFFAOYSA-N	0	2	393.424	2.291	1	30		GEEFLN
CNC(=O)C[C@@H]1S/C(=N\N=C(/C)c2cccc(Br)c2)N(C)C1=O	ZINC000095565740	222356003	/nfs/dbraw/zinc/35/60/03/222356003.db2.gz	BMTHEHRJGWSKNU-SVXYAWCSSA-N	0	2	397.298	2.239	1	30		GEEFLN
CNC(=O)CC1S/C(=N\N=C(/C)c2cccc(Br)c2)N(C)C1=O	ZINC000095565740	222356010	/nfs/dbraw/zinc/35/60/10/222356010.db2.gz	BMTHEHRJGWSKNU-SVXYAWCSSA-N	0	2	397.298	2.239	1	30		GEEFLN
O=CCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)C(F)(F)F)C1=O	ZINC000073129405	222267357	/nfs/dbraw/zinc/26/73/57/222267357.db2.gz	WXFGDIZWAJWLMO-INIZCTEOSA-N	0	2	389.333	2.074	1	30		GEEFLN
CNC(=O)C[C@H]1S/C(=N\N=C(/C)c2cccc(Br)c2)N(C)C1=O	ZINC000095565741	222355851	/nfs/dbraw/zinc/35/58/51/222355851.db2.gz	BMTHEHRJGWSKNU-WQOAAUCBSA-N	0	2	397.298	2.239	1	30		GEEFLN
CNC(=O)CC1S/C(=N\N=C(/C)c2cccc(Br)c2)N(C)C1=O	ZINC000095565741	222355857	/nfs/dbraw/zinc/35/58/57/222355857.db2.gz	BMTHEHRJGWSKNU-WQOAAUCBSA-N	0	2	397.298	2.239	1	30		GEEFLN