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](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NC[P@](=O)([O-])OCCC[NH2+]CCCC[NH3+]	ZINC000013536416	562992455	/nfs/dbraw/zinc/99/24/55/562992455.db2.gz	YVYPPQFPNSNQLR-STQMWFEESA-N	1	1	439.450	-1.323	1	0		IAAFMO
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013541034	562992728	/nfs/dbraw/zinc/99/27/28/562992728.db2.gz	OVVUNXXROOFSIM-SRVKXCTJSA-N	1	1	427.510	-2.599	1	0		IAAFMO
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)CN)C(N)=O	ZINC000013610481	562997741	/nfs/dbraw/zinc/99/77/41/562997741.db2.gz	HYQQPSPGCIIMLE-LNLFQRSKSA-N	1	1	448.568	-1.088	1	0		IAAFMO
COc1cc2[nH+]c(N3CCN(C(=O)c4no[n+]([O-])c4C(N)=O)CC3)nc(N)c2cc1OC	ZINC000013744947	563003848	/nfs/dbraw/zinc/00/38/48/563003848.db2.gz	UVRWMAUASFDRIT-UHFFFAOYSA-N	1	1	444.408	-1.088	1	0		IAAFMO
CSCC[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](CCn2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000028014899	563049878	/nfs/dbraw/zinc/04/98/78/563049878.db2.gz	MIAQLAQZBQAFGH-CVNCSBKSSA-N	1	1	426.499	-1.089	1	0		IAAFMO
CCC[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(=O)OC)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028764858	563063994	/nfs/dbraw/zinc/06/39/94/563063994.db2.gz	JBUGYCNWHOBTPU-GRZPXJOKSA-N	1	1	443.501	-1.858	1	0		IAAFMO
N[C@H](C(=O)C[NH3+])C(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000036288873	563092568	/nfs/dbraw/zinc/09/25/68/563092568.db2.gz	GESLSTKYOKFXRX-OAHLLOKOSA-N	1	1	445.498	-2.932	1	0		IAAFMO
NC(=[NH2+])NCCC[C@H](NC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)[O-]	ZINC000040423066	563102591	/nfs/dbraw/zinc/10/25/91/563102591.db2.gz	UVLOUEVEKUMXKX-GUBZILKMSA-N	1	1	445.481	-3.631	1	0		IAAFMO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000040684910	563105887	/nfs/dbraw/zinc/10/58/87/563105887.db2.gz	WGUMAXGGRADHDJ-AVGNSLFASA-N	1	1	434.457	-2.818	1	0		IAAFMO
C[C@@H](O)[C@@H](C(N)=O)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H]([NH3+])CC(N)=O	ZINC000045374487	563133624	/nfs/dbraw/zinc/13/36/24/563133624.db2.gz	JVAODRBSYZRXKW-UOCMFPBCSA-N	1	1	446.505	-4.063	1	0		IAAFMO
CC[N@H+]1C[C@@]2(O)[C@H]3C[C@H]4[C@@H]1[C@@]3([C@H]1C[C@H]3[C@H](OC)[C@]1(O)[C@]4(O)C[C@H]3OC)[C@@H](O)C[C@H]2O	ZINC000070455598	291301359	/nfs/dbraw/zinc/30/13/59/291301359.db2.gz	ZXJSAXUDNWYOEW-BBDYSGNBSA-N	1	1	425.522	-1.285	1	0	biogenic,in-vitro	IAAFMO
CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000085589246	571784788	/nfs/dbraw/zinc/78/47/88/571784788.db2.gz	BHSYMWWMVRPCPA-FVCCEPFGSA-N	1	1	443.553	-2.059	1	0	endogenous,in-man	IAAFMO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(=O)N(CC[NH3+])C(=O)N1	ZINC000095680279	563194365	/nfs/dbraw/zinc/19/43/65/563194365.db2.gz	WGUMAXGGRADHDJ-AGIUHOORSA-N	1	1	434.457	-2.818	1	0		IAAFMO
CC[N@H+]1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14	ZINC000095918864	291301350	/nfs/dbraw/zinc/30/13/50/291301350.db2.gz	PNKADVXQUJDNSJ-WBBRWVNZSA-N	1	1	439.549	-1.037	1	0	biogenic,in-vitro	IAAFMO