smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCOCC[NH2+]Cc1cc(F)ccc1[O-]	ZINC000863483808	589293193	/nfs/dbraw/zinc/29/31/93/589293193.db2.gz	DMVUXZMYYFISRR-UHFFFAOYSA-N	1	3	242.294	0.986	20	10		BCCDHO
Cc1cc(CNC(CN)C[NH3+])ccc1N(C)C	ZINC000923356345	644373379	/nfs/dbraw/zinc/37/33/79/644373379.db2.gz	LHSIHEUHEAEKTN-UHFFFAOYSA-N	1	3	236.363	0.437	20	10		BCCDHO
CN(C)c1ccc([C@@H](N)CN[C@@H]2CC[NH2+]C2)cc1	ZINC000841041390	587938385	/nfs/dbraw/zinc/93/83/85/587938385.db2.gz	HYLZOIWDMPWOEK-OCCSQVGLSA-N	1	3	248.374	0.704	20	10		BCCDHO
Cc1cccc(CN2CCNCC[NH2+]CC2)c1O	ZINC000904396744	584875729	/nfs/dbraw/zinc/87/57/29/584875729.db2.gz	PCDKNBUYQWJEND-UHFFFAOYSA-N	1	3	249.358	0.695	20	10		BCCDHO
C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[O-]	ZINC000071148816	643104262	/nfs/dbraw/zinc/10/42/62/643104262.db2.gz	LVQSWAXQJVFING-UHFFFAOYSA-N	1	3	249.358	0.729	20	10		BCCDHO
C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[O-]	ZINC000071148816	643104275	/nfs/dbraw/zinc/10/42/75/643104275.db2.gz	LVQSWAXQJVFING-UHFFFAOYSA-N	1	3	249.358	0.729	20	10		BCCDHO
[NH3+]CCCOCC[NH2+]Cc1ccccc1[O-]	ZINC000863483967	589293171	/nfs/dbraw/zinc/29/31/71/589293171.db2.gz	FXVYEDZWYZGLSX-UHFFFAOYSA-N	1	3	224.304	0.847	20	10		BCCDHO
CN(C)c1ccc([C@H](N)CN[C@@H]2CC[NH2+]C2)cc1	ZINC000841041391	587938747	/nfs/dbraw/zinc/93/87/47/587938747.db2.gz	HYLZOIWDMPWOEK-TZMCWYRMSA-N	1	3	248.374	0.704	20	10		BCCDHO
COc1ccc(O)c(CNC2CC([NH3+])C2)c1	ZINC000906510169	638183530	/nfs/dbraw/zinc/18/35/30/638183530.db2.gz	PDUMNKQASYFLLQ-UHFFFAOYSA-N	1	3	222.288	0.980	20	10		BCCDHO
C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1[O-]	ZINC000817943606	586846445	/nfs/dbraw/zinc/84/64/45/586846445.db2.gz	PMIPYEMJXADEFZ-GFCCVEGCSA-N	1	3	249.358	0.948	20	10		BCCDHO
[O-]c1ccccc1C[NH2+]CCCN1CC[NH2+]CC1	ZINC000841029286	587935938	/nfs/dbraw/zinc/93/59/38/587935938.db2.gz	LUUIGUXTZBPNGA-UHFFFAOYSA-N	1	3	249.358	0.777	20	10		BCCDHO
COc1cccc(CNCC2([NH3+])CC2)c1O	ZINC000904450265	637417241	/nfs/dbraw/zinc/41/72/41/637417241.db2.gz	QKCHAEZWRBGTJM-UHFFFAOYSA-N	1	3	222.288	0.982	20	10		BCCDHO
C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1[O-]	ZINC000817943607	586846053	/nfs/dbraw/zinc/84/60/53/586846053.db2.gz	PMIPYEMJXADEFZ-LBPRGKRZSA-N	1	3	249.358	0.948	20	10		BCCDHO
CN(C)c1ccc([C@H](N)CN[C@H]2CC[NH2+]C2)cc1	ZINC000841041388	587938335	/nfs/dbraw/zinc/93/83/35/587938335.db2.gz	HYLZOIWDMPWOEK-GXTWGEPZSA-N	1	3	248.374	0.704	20	10		BCCDHO
Cc1ccc(O)c(CN2CCNCC[NH2+]CC2)c1	ZINC000904397919	584880195	/nfs/dbraw/zinc/88/01/95/584880195.db2.gz	KWHUUHNUTUKWCL-UHFFFAOYSA-N	1	3	249.358	0.695	20	10		BCCDHO
COc1ccc(O)c(CN[C@H]2C[C@H]([NH3+])C2)c1	ZINC000906517759	638187983	/nfs/dbraw/zinc/18/79/83/638187983.db2.gz	PDUMNKQASYFLLQ-MGCOHNPYSA-N	1	3	222.288	0.980	20	10		BCCDHO
CN(Cc1ccccc1O)[C@H]1C[C@H]([NH3+])C[C@@H]1O	ZINC000923305352	644339569	/nfs/dbraw/zinc/33/95/69/644339569.db2.gz	AAJKGYZOQOMHEE-GVXVVHGQSA-N	1	3	236.315	0.675	20	10		BCCDHO
[O-]c1ccccc1C[NH2+]CCN1CC[NH2+]CC1	ZINC000083362616	643439996	/nfs/dbraw/zinc/43/99/96/643439996.db2.gz	HSQBJGLQMIRHFW-UHFFFAOYSA-N	1	3	235.331	0.387	20	10		BCCDHO
CN(C)c1ccc([C@@H](N)CN[C@H]2CC[NH2+]C2)cc1	ZINC000841041389	587938375	/nfs/dbraw/zinc/93/83/75/587938375.db2.gz	HYLZOIWDMPWOEK-JSGCOSHPSA-N	1	3	248.374	0.704	20	10		BCCDHO
COc1cccc(CN[C@H]2C[C@H]([NH3+])C2)c1O	ZINC000906508648	638181521	/nfs/dbraw/zinc/18/15/21/638181521.db2.gz	SLENXHUEGODSGU-MGCOHNPYSA-N	1	3	222.288	0.980	20	10		BCCDHO
COc1cccc(CNC2CC([NH3+])C2)c1O	ZINC000906510724	638183594	/nfs/dbraw/zinc/18/35/94/638183594.db2.gz	SLENXHUEGODSGU-UHFFFAOYSA-N	1	3	222.288	0.980	20	10		BCCDHO