smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1CC12CN(C(=O)c1cc(O)[nH]c(=O)c1)C2	ZINC001270176963	827553384	/nfs/dbraw/zinc/55/33/84/827553384.db2.gz	YWSMJBDYVNJKMJ-ZETCQYMHSA-N	0	2	263.253	-0.560	20	10		CBCDLN
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc(O)c1O	ZINC000392597909	790567601	/nfs/dbraw/zinc/56/76/01/790567601.db2.gz	BVQYTGCWSMUFGF-UHFFFAOYSA-N	0	2	250.214	-0.149	20	10		CBCDLN
NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1	ZINC001270176220	827551078	/nfs/dbraw/zinc/55/10/78/827551078.db2.gz	NYAVNYOYTZYKBP-JVXZTZIISA-N	0	2	263.253	-0.417	20	10		CBCDLN
O=C(Cc1ccc(O)c(O)c1)NCc1nnc(CO)[nH]1	ZINC001470350691	915478255	/nfs/dbraw/zinc/47/82/55/915478255.db2.gz	LQIQFCPMWZAVCI-UHFFFAOYSA-N	0	2	278.268	-0.433	20	10		CBCDLN
O=C(NCc1n[nH]c(=O)[nH]1)c1c(F)ccc(O)c1O	ZINC001558945826	924205486	/nfs/dbraw/zinc/20/54/86/924205486.db2.gz	CFURPWNYFVZYTN-UHFFFAOYSA-N	0	2	268.204	-0.009	20	10		CBCDLN
CN1C(=O)C(=CNN=c2nccc[nH]2)C(=O)N(C)C1=O	ZINC000044667592	656010262	/nfs/dbraw/zinc/01/02/62/656010262.db2.gz	KZXQZGFSJZIUHW-UHFFFAOYSA-N	0	2	276.256	-0.673	20	10		CBCDLN
C[N@H+]1C[C@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@@H](C1)O2	ZINC001269919212	827537052	/nfs/dbraw/zinc/53/70/52/827537052.db2.gz	KRXJNICMRIETLX-AOOOYVTPSA-N	0	2	279.296	-0.352	20	10		CBCDLN
C[N@@H+]1C[C@H]2CN(C(=O)c3cc([O-])[nH]c(=O)c3)C[C@@H](C1)O2	ZINC001269919212	827537057	/nfs/dbraw/zinc/53/70/57/827537057.db2.gz	KRXJNICMRIETLX-AOOOYVTPSA-N	0	2	279.296	-0.352	20	10		CBCDLN
Cn1nnnc1CNC(=O)c1c(F)ccc(O)c1O	ZINC001558969662	924207520	/nfs/dbraw/zinc/20/75/20/924207520.db2.gz	OFLGLEJGRXAJJC-UHFFFAOYSA-N	0	2	267.220	-0.310	20	10		CBCDLN
CN1CC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)OCC1=O	ZINC001269381322	827502062	/nfs/dbraw/zinc/50/20/62/827502062.db2.gz	KBNMGELKACRRJJ-UHFFFAOYSA-N	0	2	293.279	-0.824	20	10		CBCDLN
CN1C(=O)COCC12CN(C(=O)c1cc(O)[nH]c(=O)c1)C2	ZINC001269381608	827502396	/nfs/dbraw/zinc/50/23/96/827502396.db2.gz	QDZCNJJBSQPOQK-UHFFFAOYSA-N	0	2	293.279	-0.824	20	10		CBCDLN
COC[C@@H](C(N)=O)N(C)C(=O)c1c(F)ccc(O)c1O	ZINC001558989568	924207208	/nfs/dbraw/zinc/20/72/08/924207208.db2.gz	OFJQCVXPEDOAJB-ZETCQYMHSA-N	0	2	286.259	-0.191	20	10		CBCDLN
O=C(N[C@H]1SC(=O)NC1=O)c1cc(O)c(O)c(O)c1	ZINC001148586049	814951153	/nfs/dbraw/zinc/95/11/53/814951153.db2.gz	GLAHVTDSFYABMC-VIFPVBQESA-N	0	2	284.249	-0.158	20	10		CBCDLN
NC(=O)[C@H]1CC12CN(C(=O)c1cc(O)[nH]c(=O)c1)C2	ZINC001270176962	827553314	/nfs/dbraw/zinc/55/33/14/827553314.db2.gz	YWSMJBDYVNJKMJ-SSDOTTSWSA-N	0	2	263.253	-0.560	20	10		CBCDLN
CCONC(=O)CNC(=O)c1cccc(O)c1O	ZINC000846493166	583366213	/nfs/dbraw/zinc/36/62/13/583366213.db2.gz	PZQHKCMTISTQEJ-UHFFFAOYSA-N	0	2	254.242	-0.105	20	10		CBCDLN
O=C(Cc1nn[nH]n1)NCC(=O)c1ccc(O)c(O)c1	ZINC001176846003	820468999	/nfs/dbraw/zinc/46/89/99/820468999.db2.gz	WDVLRTYGAKVSBZ-UHFFFAOYSA-N	0	2	277.240	-0.848	20	10		CBCDLN
COc1ccc(O)c(CNC(=O)c2nc(=O)[nH][nH]2)c1	ZINC000114542039	582116668	/nfs/dbraw/zinc/11/66/68/582116668.db2.gz	OFPVUFPNDGNKHL-UHFFFAOYSA-N	0	2	264.241	-0.258	20	10		CBCDLN
O=C(NCc1nn[nH]n1)c1cc(O)c(O)c(O)c1	ZINC001148589713	814951380	/nfs/dbraw/zinc/95/13/80/814951380.db2.gz	IJLOBBWOIDDPBB-UHFFFAOYSA-N	0	2	251.202	-0.754	20	10		CBCDLN
NC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(O)[nH]c(=O)c1	ZINC001270176222	827551866	/nfs/dbraw/zinc/55/18/66/827551866.db2.gz	NYAVNYOYTZYKBP-KRTXAFLBSA-N	0	2	263.253	-0.417	20	10		CBCDLN
O=C(Cc1ccc(O)c(O)c1)NCc1n[nH]c(=O)[nH]1	ZINC001137239839	814581194	/nfs/dbraw/zinc/58/11/94/814581194.db2.gz	JODDAFHHESHNHU-UHFFFAOYSA-N	0	2	264.241	-0.220	20	10		CBCDLN
O=C(N[C@@H]1SC(=O)NC1=O)c1cc(O)c(O)c(O)c1	ZINC001148586048	814951396	/nfs/dbraw/zinc/95/13/96/814951396.db2.gz	GLAHVTDSFYABMC-SECBINFHSA-N	0	2	284.249	-0.158	20	10		CBCDLN
C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269918869	827537675	/nfs/dbraw/zinc/53/76/75/827537675.db2.gz	BUOWAZJQABNLFX-AOOOYVTPSA-N	0	2	279.296	-0.352	20	10		CBCDLN
C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc([O-])[nH]c(=O)c1	ZINC001269918869	827537676	/nfs/dbraw/zinc/53/76/76/827537676.db2.gz	BUOWAZJQABNLFX-AOOOYVTPSA-N	0	2	279.296	-0.352	20	10		CBCDLN
NC(=O)C12CC(NC(=O)c3cc(O)[nH]c(=O)c3)(C1)C2	ZINC001270175533	827551713	/nfs/dbraw/zinc/55/17/13/827551713.db2.gz	FUEGSYLFIMKJKJ-UHFFFAOYSA-N	0	2	263.253	-0.369	20	10		CBCDLN
NC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(O)[nH]c(=O)c1)C2	ZINC001270176844	827551933	/nfs/dbraw/zinc/55/19/33/827551933.db2.gz	WPZCJJRESZWKBJ-JMCQJSRRSA-N	0	2	263.253	-0.560	20	10		CBCDLN
Cc1ccc(C(=O)NCc2nnc(CO)[nH]2)c(O)c1O	ZINC001557594127	924122338	/nfs/dbraw/zinc/12/23/38/924122338.db2.gz	KPHWVCCFFZXXMM-UHFFFAOYSA-N	0	2	278.268	-0.053	20	10		CBCDLN
COc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)cc(O)c1O	ZINC001193114536	824004743	/nfs/dbraw/zinc/00/47/43/824004743.db2.gz	UYRNCYGMPKBIKE-UHFFFAOYSA-N	0	2	280.240	-0.140	20	10		CBCDLN
NC(=O)[C@@H]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)O1	ZINC001270176214	827551957	/nfs/dbraw/zinc/55/19/57/827551957.db2.gz	NVPHRAPDICOPPR-QMMMGPOBSA-N	0	2	293.279	-0.648	20	10		CBCDLN
NC(=O)[C@H]1CCC2(CN(C(=O)c3cc(O)[nH]c(=O)c3)C2)O1	ZINC001270176212	827551043	/nfs/dbraw/zinc/55/10/43/827551043.db2.gz	NVPHRAPDICOPPR-MRVPVSSYSA-N	0	2	293.279	-0.648	20	10		CBCDLN