smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544021	173124640	/nfs/dbraw/zinc/12/46/40/173124640.db2.gz	UTEXNEGEGXEYCY-SNVBAGLBSA-N	2	2	222.288	0.892	10	10		BCCELP
C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544021	173124642	/nfs/dbraw/zinc/12/46/42/173124642.db2.gz	UTEXNEGEGXEYCY-SNVBAGLBSA-N	2	2	222.288	0.892	10	10		BCCELP
C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544019	173151656	/nfs/dbraw/zinc/15/16/56/173151656.db2.gz	UTEXNEGEGXEYCY-JTQLQIEISA-N	2	2	222.288	0.892	10	10		BCCELP
C[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1	ZINC000042544019	173151658	/nfs/dbraw/zinc/15/16/58/173151658.db2.gz	UTEXNEGEGXEYCY-JTQLQIEISA-N	2	2	222.288	0.892	10	10		BCCELP
[NH3+][C@@H](Cn1cc[nH+]c1)c1ccc(O)c(O)c1	ZINC000011848855	345031483	/nfs/dbraw/zinc/03/14/83/345031483.db2.gz	QYJXFPIANPYRBI-VIFPVBQESA-N	2	2	219.244	0.994	10	10		BCCELP
COc1ccc(F)c([C@H]([NH3+])C[NH3+])c1O	ZINC000072200565	175126950	/nfs/dbraw/zinc/12/69/50/175126950.db2.gz	WVVUBDCFCAWBFZ-ZCFIWIBFSA-N	2	2	200.213	0.498	10	10		BCCELP
COCC[NH2+][C@@H](C[NH3+])c1ccc2c(c1)CCN2C	ZINC000053255732	174338279	/nfs/dbraw/zinc/33/82/79/174338279.db2.gz	OPSAFCSTDVKTHV-ZDUSSCGKSA-N	2	2	249.358	0.915	10	10		BCCELP
CCCn1ccnc1C1=C[C@H]([NH3+])C[NH2+]C1	ZINC000675078435	538515087	/nfs/dbraw/zinc/51/50/87/538515087.db2.gz	PMDODFLVTVHCBE-JTQLQIEISA-N	2	2	206.293	0.607	10	10		BCCELP
Cc1cc([C@@H]([NH3+])C[NH3+])c(O)c(F)c1F	ZINC000072200592	178235843	/nfs/dbraw/zinc/23/58/43/178235843.db2.gz	SGSPSLNOSKLAEI-LURJTMIESA-N	2	2	202.204	0.937	10	10		BCCELP
Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)c(O)c1O	ZINC000083380322	183270955	/nfs/dbraw/zinc/27/09/55/183270955.db2.gz	RKSCLPREDZQRRC-UHFFFAOYSA-N	2	2	249.270	0.859	10	10		BCCELP
Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)c(O)c1O	ZINC000083380322	183270957	/nfs/dbraw/zinc/27/09/57/183270957.db2.gz	RKSCLPREDZQRRC-UHFFFAOYSA-N	2	2	249.270	0.859	10	10		BCCELP
Cc1cc([C@H]([NH3+])C[NH3+])c(O)c(F)c1F	ZINC000072200591	178263335	/nfs/dbraw/zinc/26/33/35/178263335.db2.gz	SGSPSLNOSKLAEI-ZCFIWIBFSA-N	2	2	202.204	0.937	10	10		BCCELP
COc1cc(O)c([C@H]([NH3+])C[NH3+])c(OC)c1	ZINC000072200823	343069609	/nfs/dbraw/zinc/06/96/09/343069609.db2.gz	FHCUNYHLLAZBQA-SSDOTTSWSA-N	2	2	212.249	0.368	10	10		BCCELP
[NH3+][C@H](Cn1cc[nH+]c1)c1ccc(O)c(O)c1	ZINC000011848856	345031311	/nfs/dbraw/zinc/03/13/11/345031311.db2.gz	QYJXFPIANPYRBI-SECBINFHSA-N	2	2	219.244	0.994	10	10		BCCELP
COc1cc(F)cc([C@H]([NH3+])C[NH3+])c1O	ZINC000072200563	384814658	/nfs/dbraw/zinc/81/46/58/384814658.db2.gz	LQNVESGUTRQLHP-SSDOTTSWSA-N	2	2	200.213	0.498	10	10		BCCELP
COCC[NH2+][C@H](C[NH3+])c1ccc2c(c1)CCN2C	ZINC000053255731	174340250	/nfs/dbraw/zinc/34/02/50/174340250.db2.gz	OPSAFCSTDVKTHV-CYBMUJFWSA-N	2	2	249.358	0.915	10	10		BCCELP
COc1ccc(F)c([C@@H]([NH3+])C[NH3+])c1O	ZINC000072200566	175126743	/nfs/dbraw/zinc/12/67/43/175126743.db2.gz	WVVUBDCFCAWBFZ-LURJTMIESA-N	2	2	200.213	0.498	10	10		BCCELP
COc1cc(O)c([C@@H]([NH3+])C[NH3+])c(OC)c1	ZINC000072200824	343069638	/nfs/dbraw/zinc/06/96/38/343069638.db2.gz	FHCUNYHLLAZBQA-ZETCQYMHSA-N	2	2	212.249	0.368	10	10		BCCELP
CCCn1ccnc1C1=C[C@@H]([NH3+])C[NH2+]C1	ZINC000675078437	538514934	/nfs/dbraw/zinc/51/49/34/538514934.db2.gz	PMDODFLVTVHCBE-SNVBAGLBSA-N	2	2	206.293	0.607	10	10		BCCELP
COCC[NH2+][C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000053255802	174338168	/nfs/dbraw/zinc/33/81/68/174338168.db2.gz	CRFJGPYPNZRIJY-ZDUSSCGKSA-N	2	2	237.347	0.988	10	10		BCCELP
COCC[NH2+][C@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000053255801	174340376	/nfs/dbraw/zinc/34/03/76/174340376.db2.gz	CRFJGPYPNZRIJY-CYBMUJFWSA-N	2	2	237.347	0.988	10	10		BCCELP
Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(O)c1	ZINC000038086798	183268406	/nfs/dbraw/zinc/26/84/06/183268406.db2.gz	XXLCYOZUYKLPHW-UHFFFAOYSA-N	2	2	222.288	0.893	10	10		BCCELP
Oc1ccc(C[N@H+]2CCC[NH2+]CC2)c(O)c1	ZINC000038086798	183268408	/nfs/dbraw/zinc/26/84/08/183268408.db2.gz	XXLCYOZUYKLPHW-UHFFFAOYSA-N	2	2	222.288	0.893	10	10		BCCELP
COc1cc(F)cc([C@@H]([NH3+])C[NH3+])c1O	ZINC000072200564	384816133	/nfs/dbraw/zinc/81/61/33/384816133.db2.gz	LQNVESGUTRQLHP-ZETCQYMHSA-N	2	2	200.213	0.498	10	10		BCCELP