smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000278674050	530097319	/nfs/dbraw/zinc/09/73/19/530097319.db2.gz	QBXQRDYXCCHJSB-UHFFFAOYSA-N	-1	0	379.416	-1.041	20	10		GACDRM
O=C([O-])CNS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000739819935	599835148	/nfs/dbraw/zinc/83/51/48/599835148.db2.gz	LKMPQVFDFHWUBU-UHFFFAOYSA-N	-1	0	384.395	-1.124	20	10		GACDRM
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CN1C(=O)CSC1=S	ZINC001144840868	1075061755	/nfs/dbraw/zinc/06/17/55/1075061755.db2.gz	HCTUOVHBOCYXFJ-UHFFFAOYSA-N	-1	0	394.416	-1.791	20	10		GACDRM
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CN1C(=O)CSC1=S	ZINC001144848369	1075061678	/nfs/dbraw/zinc/06/16/78/1075061678.db2.gz	NDZYXRCVWNUPKA-VIFPVBQESA-N	-1	0	399.454	-1.112	20	10		GACDRM
C[C@@H]1O[C@@H](OCCNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC001147893104	1075084763	/nfs/dbraw/zinc/08/47/63/1075084763.db2.gz	KCPDXPBATOWSNC-RVZQCVDMSA-N	-1	0	393.396	-1.260	20	10		GACDRM
CC(=O)C(=O)Cn1c(=O)c(-c2nnn[n-]2)cn(CC(=O)OC(C)(C)C)c1=O	ZINC001588782423	1076064995	/nfs/dbraw/zinc/06/49/95/1076064995.db2.gz	UNGNUOHQOJSAFO-UHFFFAOYSA-N	-1	0	378.345	-1.310	20	10		GACDRM
O=C(NCCC1=CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)[C@H]1CNC(=O)N1	ZINC001593403533	1076248730	/nfs/dbraw/zinc/24/87/30/1076248730.db2.gz	FCDPVABJFZKRBD-LLVKDONJSA-N	-1	0	384.404	-1.019	20	10		GACDRM
O=C(NCCC1=CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)[C@@H]1CNC(=O)N1	ZINC001593403534	1076248742	/nfs/dbraw/zinc/24/87/42/1076248742.db2.gz	FCDPVABJFZKRBD-NSHDSACASA-N	-1	0	384.404	-1.019	20	10		GACDRM
O=C(Cn1cnnn1)NCCC1=CCN(c2ccnc(-c3nnn[n-]3)n2)CC1	ZINC001606624842	1076382933	/nfs/dbraw/zinc/38/29/33/1076382933.db2.gz	GLTHHIGKXNFOIA-UHFFFAOYSA-N	-1	0	382.392	-1.014	20	10		GACDRM
O=C(Cn1ncnn1)NCCC1=CCN(c2ccnc(-c3nnn[n-]3)n2)CC1	ZINC001606626033	1076383687	/nfs/dbraw/zinc/38/36/87/1076383687.db2.gz	VMTSVEMOOAEOJY-UHFFFAOYSA-N	-1	0	382.392	-1.014	20	10		GACDRM