smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC[C@@H](C)[NH3+]	ZINC000002563294	398319944	/nfs/dbraw/zinc/31/99/44/398319944.db2.gz	RRLSSXNOPYHNQL-CQSZACIVSA-N	1	0	213.409	4.645	10	30		BJEERO
CCCCCCC[C@@H]1CC[C@@H](CCCC)[NH2+]1	ZINC000014128141	560220975	/nfs/dbraw/zinc/22/09/75/560220975.db2.gz	FIXZYWKWWCBXRZ-HUUCEWRRSA-N	1	0	225.420	4.658	10	30	in-vitro	BJEERO
CCCCCCCCCCNc1cc[nH+]cc1	ZINC000014947253	343135827	/nfs/dbraw/zinc/13/58/27/343135827.db2.gz	XMONRBOPIGIIMR-UHFFFAOYSA-N	1	0	234.387	4.634	10	30		BJEERO
CCCCCCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C	ZINC000059055413	168652878	/nfs/dbraw/zinc/65/28/78/168652878.db2.gz	SZVWPXIYWZJOBL-HRCADAONSA-N	1	0	239.447	4.761	10	30		BJEERO
CCCCCCCCC[NH2+][C@@H]1CCCC[C@H]1C	ZINC000059055646	168650998	/nfs/dbraw/zinc/65/09/98/168650998.db2.gz	QHYKOKCCGFIOOW-HZPDHXFCSA-N	1	0	239.447	4.905	10	30		BJEERO
CCCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C	ZINC000059089918	168658521	/nfs/dbraw/zinc/65/85/21/168658521.db2.gz	XYGAQOIYGNMLPA-JYJNAYRXSA-N	1	0	239.447	4.904	10	30		BJEERO
CCCCCCCCC[C@H]([NH3+])c1ccccc1	ZINC000059106909	372140623	/nfs/dbraw/zinc/14/06/23/372140623.db2.gz	BDJDLXLECSMEFA-INIZCTEOSA-N	1	0	233.399	4.827	10	30		BJEERO
CCCCCCCCC[C@@H]([NH3+])c1ccccc1	ZINC000059106911	372140607	/nfs/dbraw/zinc/14/06/07/372140607.db2.gz	BDJDLXLECSMEFA-MRXNPFEDSA-N	1	0	233.399	4.827	10	30		BJEERO
CCCCCCC[C@H]([NH2+]C)c1ccc(C)cc1	ZINC000059276933	168658222	/nfs/dbraw/zinc/65/82/22/168658222.db2.gz	JTOQQSPVWGVACE-INIZCTEOSA-N	1	0	233.399	4.616	10	30		BJEERO
CCCCCCC[C@@H]([NH2+]C)c1ccc(C)cc1	ZINC000059276936	168656389	/nfs/dbraw/zinc/65/63/89/168656389.db2.gz	JTOQQSPVWGVACE-MRXNPFEDSA-N	1	0	233.399	4.616	10	30		BJEERO
CCCCCCC[C@H]([NH2+]C)c1ccc(C)cc1C	ZINC000059277381	168658531	/nfs/dbraw/zinc/65/85/31/168658531.db2.gz	MRBFMQPFAYWNSL-KRWDZBQOSA-N	1	0	247.426	4.924	10	30		BJEERO
CCCCCCC[C@@H]([NH2+]C)c1cc(C)ccc1C	ZINC000059277460	168657018	/nfs/dbraw/zinc/65/70/18/168657018.db2.gz	BPJBFCMIEBWAEW-QGZVFWFLSA-N	1	0	247.426	4.924	10	30		BJEERO
CCCCCCC[C@H]([NH2+]C)c1ccc(CC)cc1	ZINC000059283894	168658432	/nfs/dbraw/zinc/65/84/32/168658432.db2.gz	KJBMNAUUBMBQMA-KRWDZBQOSA-N	1	0	247.426	4.870	10	30		BJEERO
CC(C)C[P+](C)(CC(C)C)CC(C)C	ZINC000060291283	385078340	/nfs/dbraw/zinc/07/83/40/385078340.db2.gz	BIUUTLHYFPFWRB-UHFFFAOYSA-N	1	0	217.357	4.602	10	30		BJEERO
CCCCCCCCCCC(C)(C)C[NH3+]	ZINC000082055435	361082425	/nfs/dbraw/zinc/08/24/25/361082425.db2.gz	CIJPJKTZOVLEJS-UHFFFAOYSA-N	1	0	213.409	4.502	10	30		BJEERO
CCCCCCCC[C@@H]([NH2+]C)c1ccccc1	ZINC000100913355	168654328	/nfs/dbraw/zinc/65/43/28/168654328.db2.gz	ZLSXGORRBVWZJS-MRXNPFEDSA-N	1	0	233.399	4.698	10	30		BJEERO
CCCCCCC[C@@](C)([NH3+])c1ccc(C)cc1	ZINC000103930683	168658493	/nfs/dbraw/zinc/65/84/93/168658493.db2.gz	FGHBNPUZPHARED-MRXNPFEDSA-N	1	0	233.399	4.529	10	30		BJEERO
CCCCCCC[C@](C)([NH3+])c1ccc(CC)cc1	ZINC000103932164	168657952	/nfs/dbraw/zinc/65/79/52/168657952.db2.gz	ILABRZSIRIPHCH-KRWDZBQOSA-N	1	0	247.426	4.783	10	30		BJEERO
CCCCCCC[NH2+][C@@H](C)c1ccc(C)cc1	ZINC000103982036	168655862	/nfs/dbraw/zinc/65/58/62/168655862.db2.gz	HWUYROLABBPYJH-HNNXBMFYSA-N	1	0	233.399	4.616	10	30		BJEERO
CCCCCCC[C@H]([NH2+]C)c1cc(C)oc1C	ZINC000103996739	168658102	/nfs/dbraw/zinc/65/81/02/168658102.db2.gz	WGONPNLNNBCQGG-HNNXBMFYSA-N	1	0	237.387	4.517	10	30		BJEERO
CCCCCCC[C@@H](C[NH2+]CC(C)C)C(C)C	ZINC000104000796	168656075	/nfs/dbraw/zinc/65/60/75/168656075.db2.gz	RYSHIVHFDRPHNR-INIZCTEOSA-N	1	0	241.463	4.865	10	30		BJEERO
CCCCCCCC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C	ZINC000104151632	168653926	/nfs/dbraw/zinc/65/39/26/168653926.db2.gz	HJRBOSWGRRZRQF-OAGGEKHMSA-N	1	0	239.447	4.761	10	30		BJEERO
CCCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C	ZINC000104151644	168655137	/nfs/dbraw/zinc/65/51/37/168655137.db2.gz	HJRBOSWGRRZRQF-JYJNAYRXSA-N	1	0	239.447	4.761	10	30		BJEERO
CCCCCCCCC[C@H]1C[C@H](C)CC[C@@H]1[NH3+]	ZINC000104166866	168650977	/nfs/dbraw/zinc/65/09/77/168650977.db2.gz	KBVXXFZKRBZDKB-PMPSAXMXSA-N	1	0	239.447	4.891	10	30		BJEERO
CCCCCCCCC[C@H]1C[C@@H](C)CC[C@@H]1[NH3+]	ZINC000104166874	168651869	/nfs/dbraw/zinc/65/18/69/168651869.db2.gz	KBVXXFZKRBZDKB-JYJNAYRXSA-N	1	0	239.447	4.891	10	30		BJEERO
CCCCCCCCCC[NH2+]CCC(C)C	ZINC000105552254	168650539	/nfs/dbraw/zinc/65/05/39/168650539.db2.gz	FPKUZMPQZILKQX-UHFFFAOYSA-N	1	0	227.436	4.763	10	30		BJEERO
C=CC[NH2+]CCCCCCCCCCCC	ZINC000105927780	166399132	/nfs/dbraw/zinc/39/91/32/166399132.db2.gz	UPJCLNVDRFIPLQ-UHFFFAOYSA-N	1	0	225.420	4.683	10	30		BJEERO
CCCCCCCCCCCC[C@H](C)[NH3+]	ZINC000106396853	369112756	/nfs/dbraw/zinc/11/27/56/369112756.db2.gz	RRLSSXNOPYHNQL-AWEZNQCLSA-N	1	0	213.409	4.645	10	30		BJEERO
CCCCCCCCCCCCCC[NH2+]C	ZINC000106401282	384912532	/nfs/dbraw/zinc/91/25/32/384912532.db2.gz	QWERMLCFPMTLTG-UHFFFAOYSA-N	1	0	227.436	4.907	10	30		BJEERO
CCCCCCCCC[NH2+]CCCC(C)C	ZINC000109318780	168651661	/nfs/dbraw/zinc/65/16/61/168651661.db2.gz	VYXUCDDKJJRXCT-UHFFFAOYSA-N	1	0	227.436	4.763	10	30		BJEERO
CCCCCCC[C@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+]	ZINC000109667611	168658158	/nfs/dbraw/zinc/65/81/58/168658158.db2.gz	ZTJRYRWIQPRTHU-PMPSAXMXSA-N	1	0	239.447	4.747	10	30		BJEERO
CCCCCCC[C@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+]	ZINC000109667615	168657695	/nfs/dbraw/zinc/65/76/95/168657695.db2.gz	ZTJRYRWIQPRTHU-JYJNAYRXSA-N	1	0	239.447	4.747	10	30		BJEERO
CCCCCCC[C@H](C(C)C)[C@H](C)[NH2+]CC	ZINC000109669387	168658164	/nfs/dbraw/zinc/65/81/64/168658164.db2.gz	MOJKBOASOBGQOY-LSDHHAIUSA-N	1	0	227.436	4.617	10	30		BJEERO
CCCCCCC[C@H]1CCCC[C@H]1[NH2+]CC	ZINC000110445830	168658500	/nfs/dbraw/zinc/65/85/00/168658500.db2.gz	NYAGHHDOEJXGHW-LSDHHAIUSA-N	1	0	225.420	4.515	10	30		BJEERO
CCCCCCC[C@H]([NH3+])Cc1cc(C)cc(C)c1	ZINC000111235696	168658399	/nfs/dbraw/zinc/65/83/99/168658399.db2.gz	WIAXYWQVTIMDBV-KRWDZBQOSA-N	1	0	247.426	4.534	10	30		BJEERO
CCCCCCCCCC[N+](C)(C)CCC	ZINC000115115662	717149553	/nfs/dbraw/zinc/14/95/53/717149553.db2.gz	LWSZZLPJPKLWQY-UHFFFAOYSA-N	1	0	228.444	4.614	10	30		BJEERO
CCCCCCCCCC[N+](C)(CC)CC	ZINC000137796280	717151417	/nfs/dbraw/zinc/15/14/17/717151417.db2.gz	MVXQPROAFWKOIE-UHFFFAOYSA-N	1	0	228.444	4.614	10	30		BJEERO
CCCCCCCC[N+](C)(C)CCCCC	ZINC000167316636	717154971	/nfs/dbraw/zinc/15/49/71/717154971.db2.gz	SOPNIEVZZPVZDU-UHFFFAOYSA-N	1	0	228.444	4.614	10	30		BJEERO
CCCCCCCCC[C@]1([NH3+])CC=C(C)C1	ZINC000217669089	357263491	/nfs/dbraw/zinc/26/34/91/357263491.db2.gz	LETIAHAWGQOPDT-HNNXBMFYSA-N	1	0	223.404	4.565	10	30		BJEERO
CCCCCCCCC[C@@]1([NH3+])CC=C(C)C1	ZINC000217669166	398322547	/nfs/dbraw/zinc/32/25/47/398322547.db2.gz	LETIAHAWGQOPDT-OAHLLOKOSA-N	1	0	223.404	4.565	10	30		BJEERO
CCCCCCCCCC1([NH3+])CC(C)=C(C)C1	ZINC000217671051	398322927	/nfs/dbraw/zinc/32/29/27/398322927.db2.gz	VGGMYOADWCBAIT-UHFFFAOYSA-N	1	0	237.431	4.955	10	30		BJEERO
CCCCCCCCCCC[N+](C)(C)CC	ZINC000221473243	717161403	/nfs/dbraw/zinc/16/14/03/717161403.db2.gz	QHCAAFYUBHBJIW-UHFFFAOYSA-N	1	0	228.444	4.614	10	30		BJEERO
C(/C=[NH+]/C1CCCCC1)=C1CCCCCC1	ZINC000584600692	358257624	/nfs/dbraw/zinc/25/76/24/358257624.db2.gz	VVQPDLCSJBHFAW-DTQAZKPQSA-N	1	0	219.372	4.671	10	30		BJEERO
CC/C(=C\C=[NH+]\C(C)(C)C)CCC=C(C)C	ZINC000584627125	358296687	/nfs/dbraw/zinc/29/66/87/358296687.db2.gz	IZJBWTMSZQKSNX-MHMBTURYSA-N	1	0	221.388	4.939	10	30		BJEERO
CCCCCCCC[PH+]1CCSCC1	ZINC000584635983	358320696	/nfs/dbraw/zinc/32/06/96/358320696.db2.gz	BHHSWYGUDOQGFJ-UHFFFAOYSA-N	1	0	232.373	4.576	10	30		BJEERO