smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CSC(=S)N3CC[N+](C)(C)CC3)S[C@H]12	ZINC000003927515	717097520	/nfs/dbraw/zinc/09/75/20/717097520.db2.gz	KKNIEFQZXPKASM-OLUVUFQESA-O	0	0	418.586	0.605	1	5		HCBFRN
CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12	ZINC000015149056	717111282	/nfs/dbraw/zinc/11/12/82/717111282.db2.gz	WDGOOUGOASHMHF-SZSNTARISA-N	0	0	413.467	0.317	1	5		HCBFRN
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC(=S)N3CC[N+](C)(C)CC3)[C@H](C)[C@H]12	ZINC000029393824	717118299	/nfs/dbraw/zinc/11/82/99/717118299.db2.gz	UMXBLLZQWXCGJQ-DDHJBXDOSA-O	0	0	400.546	0.550	1	5		HCBFRN
Cc1cc(O)c2c(=O)c3c(cccc3CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc-2o1	ZINC000033830106	291181240	/nfs/dbraw/zinc/18/12/40/291181240.db2.gz	HWOPCYBADKWVEI-IAAKTDFRSA-N	0	0	418.398	0.277	1	5	biogenic,in-vitro	HCBFRN
C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000033831577	717122067	/nfs/dbraw/zinc/12/20/67/717122067.db2.gz	KDJGEXAPDZNXSD-NCNXPEMUSA-N	0	0	413.467	0.317	1	5		HCBFRN
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[N+](CCO)(CCO)CC3)cc21	ZINC000040425270	717127496	/nfs/dbraw/zinc/12/74/96/717127496.db2.gz	KTXQNAYQICBGQK-UHFFFAOYSA-O	0	0	408.450	0.480	1	5		HCBFRN
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2ccc3cc(O)ccc3c21	ZINC000059585837	291179019	/nfs/dbraw/zinc/17/90/19/291179019.db2.gz	WMZBYVNQADXHMK-QNDFHXLGSA-N	0	0	402.399	0.886	1	5	biogenic,in-vitro	HCBFRN
C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000085507939	291171032	/nfs/dbraw/zinc/17/10/32/291171032.db2.gz	PGGQDCPBQDTAPK-LIFUGBHNSA-N	0	0	414.475	0.209	1	5	biogenic,in-vitro	HCBFRN
C[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@H](NC(=O)CCCC(=O)[O-])C1	ZINC000087529884	717137216	/nfs/dbraw/zinc/13/72/16/717137216.db2.gz	MPPPWHFHPXCSEX-VEXWJQHLSA-O	0	0	406.503	0.889	1	5	in-vitro	HCBFRN
C[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCC[C@@H](NC(=O)CCCC(=O)[O-])C1	ZINC000087529886	717137527	/nfs/dbraw/zinc/13/75/27/717137527.db2.gz	MPPPWHFHPXCSEX-QFADGXAASA-O	0	0	406.503	0.889	1	5	in-vitro	HCBFRN
Cc1cc(=O)c2c(C)cc3cc(O)cc(O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)c3c2o1	ZINC000095914456	291181244	/nfs/dbraw/zinc/18/12/44/291181244.db2.gz	OEBPHTWRMNJXJQ-URUIJOEXSA-N	0	0	418.398	0.447	1	5	biogenic,in-vitro	HCBFRN
CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12	ZINC000238735341	717162330	/nfs/dbraw/zinc/16/23/30/717162330.db2.gz	WDGOOUGOASHMHF-RNMIMGCDSA-N	0	0	413.467	0.317	1	5		HCBFRN
C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12	ZINC000238760002	717162707	/nfs/dbraw/zinc/16/27/07/717162707.db2.gz	KDJGEXAPDZNXSD-QWNUQHEASA-N	0	0	413.467	0.317	1	5		HCBFRN
C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@@H]12	ZINC000238766380	717163133	/nfs/dbraw/zinc/16/31/33/717163133.db2.gz	KDJGEXAPDZNXSD-BFGHSHMUSA-N	0	0	413.467	0.317	1	5		HCBFRN
C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC[C@@H]2[C@@H]3[C@@H](CC[N+]3([O-])C[C@H]2O)OC1=O	ZINC000238769896	717163212	/nfs/dbraw/zinc/16/32/12/717163212.db2.gz	ILQUGJRJQMQLRA-KGJNGRJNSA-N	0	0	411.451	0.827	1	5		HCBFRN