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)Cc1cc(C=O)ccc1O	ZINC000031937716	342792370	/nfs/dbraw/zinc/79/23/70/342792370.db2.gz	WTRUVRCKAUTZTO-UHFFFAOYSA-N	1	2	207.273	2.047	40	10		BECBLO
S=CC1=C2NCCC[N@@H+]2[C@H]2CCCC[C@@H]12	ZINC000001080383	183313882	/nfs/dbraw/zinc/31/38/82/183313882.db2.gz	PKKFXCVBJFFZJO-ONGXEEELSA-N	1	2	222.357	2.065	40	10		BECBLO
S=CC1=C2NCCC[N@H+]2[C@H]2CCCC[C@@H]12	ZINC000001080383	183313884	/nfs/dbraw/zinc/31/38/84/183313884.db2.gz	PKKFXCVBJFFZJO-ONGXEEELSA-N	1	2	222.357	2.065	40	10		BECBLO
Cc1nc(N)c(/N=N/c2ccccc2)c(N)[nH+]1	ZINC000018081327	342931397	/nfs/dbraw/zinc/93/13/97/342931397.db2.gz	BEFUMGOCHNLNSU-WUKNDPDISA-N	1	2	228.259	2.365	40	10	in-vitro	BECBLO
S=CC1=C2NCCC[N@@H+]2[C@@H]2CCCC[C@@H]12	ZINC000005290143	183313246	/nfs/dbraw/zinc/31/32/46/183313246.db2.gz	PKKFXCVBJFFZJO-GXSJLCMTSA-N	1	2	222.357	2.065	40	10		BECBLO
S=CC1=C2NCCC[N@H+]2[C@@H]2CCCC[C@@H]12	ZINC000005290143	183313247	/nfs/dbraw/zinc/31/32/47/183313247.db2.gz	PKKFXCVBJFFZJO-GXSJLCMTSA-N	1	2	222.357	2.065	40	10		BECBLO
C[C@H](C(=O)c1ccc(O)c(O)c1)[NH+]1CCCCC1	ZINC000090760543	384073828	/nfs/dbraw/zinc/07/38/28/384073828.db2.gz	DIGTYXWSMJMTLM-SNVBAGLBSA-N	1	2	249.310	2.155	40	10		BECBLO
Cc1ccc(NCc2ccc(O)c(O)c2)c[nH+]1	ZINC000083357236	384501739	/nfs/dbraw/zinc/50/17/39/384501739.db2.gz	CXBWUYKISHSMMB-UHFFFAOYSA-N	1	2	230.267	2.413	40	10		BECBLO
Cc1nc(N)c(/N=N\c2ccccc2)c(N)[nH+]1	ZINC000100263715	384628775	/nfs/dbraw/zinc/62/87/75/384628775.db2.gz	BEFUMGOCHNLNSU-MSUUIHNZSA-N	1	2	228.259	2.365	40	10		BECBLO
Cc1cc[nH+]cc1NCc1ccc(O)c(O)c1	ZINC000071413189	384883753	/nfs/dbraw/zinc/88/37/53/384883753.db2.gz	IGICCUKIJJZITD-UHFFFAOYSA-N	1	2	230.267	2.413	40	10		BECBLO
Cc1c[nH+]cc(NCc2ccc(O)c(O)c2)c1	ZINC000227541396	371888934	/nfs/dbraw/zinc/88/89/34/371888934.db2.gz	FFLZIWRFKORBEI-UHFFFAOYSA-N	1	2	230.267	2.413	40	10		BECBLO
CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000026896355	132333978	/nfs/dbraw/zinc/33/39/78/132333978.db2.gz	SIHMOCUKGLIOKH-NSHDSACASA-N	1	2	248.326	2.048	40	10		BECBLO
CCOC(=O)[C@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000026896355	132333979	/nfs/dbraw/zinc/33/39/79/132333979.db2.gz	SIHMOCUKGLIOKH-NSHDSACASA-N	1	2	248.326	2.048	40	10		BECBLO
Oc1c(O)c(Cl)c2c(c1Cl)CC[NH2+]C2	ZINC000090698112	183255548	/nfs/dbraw/zinc/25/55/48/183255548.db2.gz	JOJNZTCDAPEKEI-UHFFFAOYSA-N	1	2	234.082	2.050	40	10		BECBLO
COc1cc(C=O)cc(C[NH+]2CCCCC2)c1O	ZINC000082312199	384666934	/nfs/dbraw/zinc/66/69/34/384666934.db2.gz	PANXAUCRSRTYRE-UHFFFAOYSA-N	1	2	249.310	2.199	40	10		BECBLO
Cc1[nH+]cccc1NCc1ccc(O)c(O)c1	ZINC000091495488	344281465	/nfs/dbraw/zinc/28/14/65/344281465.db2.gz	LNYIKQMVJXKWOM-UHFFFAOYSA-N	1	2	230.267	2.413	40	10		BECBLO
CCOc1cc(C=O)cc(C[NH+]2CCCC2)c1O	ZINC000616575364	349084585	/nfs/dbraw/zinc/08/45/85/349084585.db2.gz	BUNWDGJXDNWXRN-UHFFFAOYSA-N	1	2	249.310	2.199	40	10		BECBLO
CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(N)cc2)C1	ZINC000026896354	132333631	/nfs/dbraw/zinc/33/36/31/132333631.db2.gz	SIHMOCUKGLIOKH-LLVKDONJSA-N	1	2	248.326	2.048	40	10		BECBLO
CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(N)cc2)C1	ZINC000026896354	132333632	/nfs/dbraw/zinc/33/36/32/132333632.db2.gz	SIHMOCUKGLIOKH-LLVKDONJSA-N	1	2	248.326	2.048	40	10		BECBLO
Nc1[nH+]c(N)c(/N=N/c2ccccc2)cc1O	ZINC000022056673	181784123	/nfs/dbraw/zinc/78/41/23/181784123.db2.gz	BVBZFKYOQZLANE-FOCLMDBBSA-N	1	2	229.243	2.367	40	10	in-vitro	BECBLO
C[C@@H](C(=O)c1ccc(O)c(O)c1)[NH+]1CCCCC1	ZINC000090760542	384073669	/nfs/dbraw/zinc/07/36/69/384073669.db2.gz	DIGTYXWSMJMTLM-JTQLQIEISA-N	1	2	249.310	2.155	40	10		BECBLO
Cc1c(O)c(O)ccc1C(=O)C[NH+]1CCCCC1	ZINC000001672324	342707950	/nfs/dbraw/zinc/70/79/50/342707950.db2.gz	UGNWZHHCZKQWKS-UHFFFAOYSA-N	1	2	249.310	2.075	40	10		BECBLO
C[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000022143662	173387535	/nfs/dbraw/zinc/38/75/35/173387535.db2.gz	RXXZQETZKIFORS-UHFFFAOYSA-N	1	2	206.072	2.418	40	10		BECBLO