smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N(C)C	ZINC000161204083	367068949	/nfs/dbraw/zinc/06/89/49/367068949.db2.gz	HVPMYPQJHWKUMZ-HOTGVXAUSA-N	1	3	291.439	2.136	10	70		CEIEHO
Cn1nccc1C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000161311872	527598889	/nfs/dbraw/zinc/59/88/89/527598889.db2.gz	QEAGGUFYOROVAF-UHFFFAOYSA-N	1	3	290.455	2.476	10	70		CEIEHO
CC[C@](C)(O)CN1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000161197707	281291164	/nfs/dbraw/zinc/29/11/64/281291164.db2.gz	SFMPEBMRKUWOLL-GJZGRUSLSA-N	1	3	254.418	2.098	10	70		CEIEHO
CN(CCN1CC[C@@H](C[NH+](C)C)C1)Cc1ccc(F)cc1	ZINC000159671188	366937383	/nfs/dbraw/zinc/93/73/83/366937383.db2.gz	BFMDDXASRIKOGL-INIZCTEOSA-N	1	3	293.430	2.141	10	70		CEIEHO
CC[C@@](C)(O)CN1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000161197819	395063589	/nfs/dbraw/zinc/06/35/89/395063589.db2.gz	SFMPEBMRKUWOLL-LSDHHAIUSA-N	1	3	254.418	2.098	10	70		CEIEHO
CCC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N(C)C	ZINC000161204342	367068503	/nfs/dbraw/zinc/06/85/03/367068503.db2.gz	HVPMYPQJHWKUMZ-HZPDHXFCSA-N	1	3	291.439	2.136	10	70		CEIEHO
c1cc(C2CC[NH+](CCCN3CCCCC3)CC2)n[nH]1	ZINC000161312296	526419709	/nfs/dbraw/zinc/41/97/09/526419709.db2.gz	UOJITXMFWROALN-UHFFFAOYSA-N	1	3	276.428	2.465	10	70		CEIEHO
Cn1cc([C@H]2CC[N@H+](CCCN3CCCCC3)C2)cn1	ZINC000161141958	527319199	/nfs/dbraw/zinc/31/91/99/527319199.db2.gz	GUNTXSXBLYQAQC-HNNXBMFYSA-N	1	3	276.428	2.085	10	70		CEIEHO
Cn1cc([C@H]2CC[N@@H+](CCCN3CCCCC3)C2)cn1	ZINC000161141958	527319207	/nfs/dbraw/zinc/31/92/07/527319207.db2.gz	GUNTXSXBLYQAQC-HNNXBMFYSA-N	1	3	276.428	2.085	10	70		CEIEHO
CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N(C)C	ZINC000161204285	278855683	/nfs/dbraw/zinc/85/56/83/278855683.db2.gz	HVPMYPQJHWKUMZ-JKSUJKDBSA-N	1	3	291.439	2.136	10	70		CEIEHO
Cn1cc([C@@H]2CC[N@H+](CCCN3CCCCC3)C2)cn1	ZINC000161141844	527301673	/nfs/dbraw/zinc/30/16/73/527301673.db2.gz	GUNTXSXBLYQAQC-OAHLLOKOSA-N	1	3	276.428	2.085	10	70		CEIEHO
Cn1cc([C@@H]2CC[N@@H+](CCCN3CCCCC3)C2)cn1	ZINC000161141844	527301679	/nfs/dbraw/zinc/30/16/79/527301679.db2.gz	GUNTXSXBLYQAQC-OAHLLOKOSA-N	1	3	276.428	2.085	10	70		CEIEHO
CN(CCN1CC[C@H](C[NH+](C)C)C1)Cc1ccc(F)cc1	ZINC000159671309	366937951	/nfs/dbraw/zinc/93/79/51/366937951.db2.gz	BFMDDXASRIKOGL-MRXNPFEDSA-N	1	3	293.430	2.141	10	70		CEIEHO
CCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N(C)C	ZINC000161204177	283785632	/nfs/dbraw/zinc/78/56/32/283785632.db2.gz	HVPMYPQJHWKUMZ-CVEARBPZSA-N	1	3	291.439	2.136	10	70		CEIEHO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1	ZINC000161339153	395064236	/nfs/dbraw/zinc/06/42/36/395064236.db2.gz	NIOYDKZMOLYKFX-OAGGEKHMSA-N	1	3	295.471	2.096	10	70		CEIEHO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1	ZINC000161339153	395064238	/nfs/dbraw/zinc/06/42/38/395064238.db2.gz	NIOYDKZMOLYKFX-OAGGEKHMSA-N	1	3	295.471	2.096	10	70		CEIEHO