smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)CCC[NH+](CC)CC	ZINC000005437356	210105337	/nfs/dbraw/zinc/10/53/37/210105337.db2.gz	HGKLAWGZOSTYIR-FGZHOGPDSA-N	4	0	366.638	3.190	40	30		FGEBRP
CCN(CC)C(=O)C[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000005452804	493931434	/nfs/dbraw/zinc/93/14/34/493931434.db2.gz	BSMILUQLIZISAB-UHFFFAOYSA-N	2	0	363.590	3.031	40	30		FGEBRP
C[NH+](C)CCC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)CC[NH+](C)C	ZINC000001579205	493796322	/nfs/dbraw/zinc/79/63/22/493796322.db2.gz	KXZMDXAEIMQHEF-UHFFFAOYSA-N	2	0	371.308	3.418	40	30		FGEBRP
C[NH+](C)CCC(=O)C(=Cc1c(Cl)cccc1Cl)C(=O)CC[NH+](C)C	ZINC000001607924	493796920	/nfs/dbraw/zinc/79/69/20/493796920.db2.gz	IULBJKAIOFRMAM-UHFFFAOYSA-N	2	0	371.308	3.418	40	30		FGEBRP
C[NH+](C)CCC(=O)C(=Cc1cc(Cl)cc(Cl)c1)C(=O)CC[NH+](C)C	ZINC000001589116	493797081	/nfs/dbraw/zinc/79/70/81/493797081.db2.gz	YUEALUAHKNEWKR-UHFFFAOYSA-N	2	0	371.308	3.418	40	30		FGEBRP
CCN(CC)C(=O)C[N@@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000253614793	497346949	/nfs/dbraw/zinc/34/69/49/497346949.db2.gz	BSMILUQLIZISAB-VWLOTQADSA-N	2	0	363.590	3.031	40	30		FGEBRP
CCC[N@H+](C)CCN=CNc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	ZINC000005951840	493946110	/nfs/dbraw/zinc/94/61/10/493946110.db2.gz	LQNGDUGQQHAQKR-UHFFFAOYSA-N	2	0	361.559	3.370	40	30		FGEBRP
CC[NH+](CC)CCC[C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000005437355	493930027	/nfs/dbraw/zinc/93/00/27/493930027.db2.gz	HGKLAWGZOSTYIR-VXKWHMMOSA-N	4	0	366.638	3.190	40	30		FGEBRP
C[N+](C)(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)C)cc2)cc1	ZINC000001595254	493796577	/nfs/dbraw/zinc/79/65/77/493796577.db2.gz	MPPOBDZBHGFJLE-UHFFFAOYSA-N	2	0	354.494	3.131	40	30		FGEBRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000005437348	493929958	/nfs/dbraw/zinc/92/99/58/493929958.db2.gz	HGKLAWGZOSTYIR-SZPZYZBQSA-N	4	0	366.638	3.190	40	30		FGEBRP
CCN(CC)C(=O)C[N@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000253614792	497346758	/nfs/dbraw/zinc/34/67/58/497346758.db2.gz	BSMILUQLIZISAB-RUZDIDTESA-N	2	0	363.590	3.031	40	30		FGEBRP