smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000252586202	570083581	/nfs/dbraw/zinc/08/35/81/570083581.db2.gz	OEODSVAFZNVWBR-LXWOLXCRSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000252586202	570083582	/nfs/dbraw/zinc/08/35/82/570083582.db2.gz	OEODSVAFZNVWBR-LXWOLXCRSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000012417465	524012066	/nfs/dbraw/zinc/01/20/66/524012066.db2.gz	OEODSVAFZNVWBR-MVOZIGHISA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000012417465	524012070	/nfs/dbraw/zinc/01/20/70/524012070.db2.gz	OEODSVAFZNVWBR-MVOZIGHISA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000034721117	569652452	/nfs/dbraw/zinc/65/24/52/569652452.db2.gz	OEODSVAFZNVWBR-AWVRMFGXSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000034721117	569652453	/nfs/dbraw/zinc/65/24/53/569652453.db2.gz	OEODSVAFZNVWBR-AWVRMFGXSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000008856271	554752349	/nfs/dbraw/zinc/75/23/49/554752349.db2.gz	OEODSVAFZNVWBR-MRJKTFCFSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000008856271	554752353	/nfs/dbraw/zinc/75/23/53/554752353.db2.gz	OEODSVAFZNVWBR-MRJKTFCFSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000015162199	555881050	/nfs/dbraw/zinc/88/10/50/555881050.db2.gz	OEODSVAFZNVWBR-JWZKTCGFSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000015162199	555881052	/nfs/dbraw/zinc/88/10/52/555881052.db2.gz	OEODSVAFZNVWBR-JWZKTCGFSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000015162196	555881074	/nfs/dbraw/zinc/88/10/74/555881074.db2.gz	OEODSVAFZNVWBR-SXDGJLEOSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC	ZINC000015162196	555881077	/nfs/dbraw/zinc/88/10/77/555881077.db2.gz	OEODSVAFZNVWBR-SXDGJLEOSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000008955645	554836837	/nfs/dbraw/zinc/83/68/37/554836837.db2.gz	OEODSVAFZNVWBR-IWHLBADBSA-N	2	3	453.671	4.543	40	0		JJABHP
COc1ccc(CN(CCC[NH3+])CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000008955645	554836841	/nfs/dbraw/zinc/83/68/41/554836841.db2.gz	OEODSVAFZNVWBR-IWHLBADBSA-N	2	3	453.671	4.543	40	0		JJABHP