smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CC[NH+](Cc3ccco3)CC1)C2	ZINC000040428941	183065762	/nfs/dbraw/zinc/06/57/62/183065762.db2.gz	AEBAXYGOMZJIJV-ZTNFWEORSA-N	2	2	316.489	4.048	1	0		DIAFLP
Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C)c2)c1	ZINC000066073764	184386824	/nfs/dbraw/zinc/38/68/24/184386824.db2.gz	YRZGDVXQQNDOIQ-VXKWHMMOSA-N	2	2	322.496	4.494	1	0		DIAFLP
Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C	ZINC000066073761	184386985	/nfs/dbraw/zinc/38/69/85/184386985.db2.gz	NXRJGLFADZCXRK-VXKWHMMOSA-N	2	2	322.496	4.494	1	0		DIAFLP
Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C	ZINC000066073760	184387012	/nfs/dbraw/zinc/38/70/12/184387012.db2.gz	NXRJGLFADZCXRK-SZPZYZBQSA-N	2	2	322.496	4.494	1	0		DIAFLP
CCc1cc(CCCC[NH3+])sc1CCCCCCCC[NH3+]	ZINC000028652756	182534366	/nfs/dbraw/zinc/53/43/66/182534366.db2.gz	DLJWNXFZERFNBT-UHFFFAOYSA-N	2	2	310.551	4.434	1	0		DIAFLP
[NH3+]CCC[NH2+]CCC[N@H+]1CCCC/C=C/CCCCCCCC1	ZINC000090609692	185306602	/nfs/dbraw/zinc/30/66/02/185306602.db2.gz	QZTGAWRWGLYJLH-HWKANZROSA-N	3	2	323.569	4.088	1	0		DIAFLP
[NH3+]CCC[NH2+]CCC[N@@H+]1CCCC/C=C/CCCCCCCC1	ZINC000090609692	185306603	/nfs/dbraw/zinc/30/66/03/185306603.db2.gz	QZTGAWRWGLYJLH-HWKANZROSA-N	3	2	323.569	4.088	1	0		DIAFLP
Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1	ZINC000066073803	184387289	/nfs/dbraw/zinc/38/72/89/184387289.db2.gz	BYADEOIPYZCPKB-VXKWHMMOSA-N	2	2	322.496	4.494	1	0		DIAFLP
Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C	ZINC000066073762	184386951	/nfs/dbraw/zinc/38/69/51/184386951.db2.gz	NXRJGLFADZCXRK-FGZHOGPDSA-N	2	2	322.496	4.494	1	0		DIAFLP
Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1	ZINC000066073802	184386962	/nfs/dbraw/zinc/38/69/62/184386962.db2.gz	BYADEOIPYZCPKB-SZPZYZBQSA-N	2	2	322.496	4.494	1	0		DIAFLP
CN(CCC[NH+](C)C)c1cc(-c2ccccc2)c2ccccc2[nH+]1	ZINC000029205080	182555515	/nfs/dbraw/zinc/55/55/15/182555515.db2.gz	MGWQJRQJLGIOSC-UHFFFAOYSA-N	2	2	319.452	4.290	1	0		DIAFLP
Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C)cc2)cc1	ZINC000066073804	184386831	/nfs/dbraw/zinc/38/68/31/184386831.db2.gz	BYADEOIPYZCPKB-FGZHOGPDSA-N	2	2	322.496	4.494	1	0		DIAFLP