smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(N2CCCC3(CC[NH2+]CC3)C2)cc[nH+]1	ZINC000003955764	132316033	/nfs/dbraw/zinc/31/60/33/132316033.db2.gz	XPTSEPHTIHPTNN-UHFFFAOYSA-N	2	0	231.343	2.052	1	0		BEAFRP
[NH3+]C[C@H]1CC[C@@]2([NH3+])c3ccccc3CC[C@@H]2C1	ZINC000040434754	181465977	/nfs/dbraw/zinc/46/59/77/181465977.db2.gz	IVGRCHWIUFCWHC-LNSITVRQSA-N	2	0	230.355	2.162	1	0		BEAFRP
c1cc(NCCCNc2cc[nH+]cc2)cc[nH+]1	ZINC000013604294	183357019	/nfs/dbraw/zinc/35/70/19/183357019.db2.gz	WDNPXYWXIFHBCG-UHFFFAOYSA-N	2	0	228.299	2.391	1	0		BEAFRP
CCCCNc1cc(N2CC[NH+](C)CC2)cc[nH+]1	ZINC000299857445	634392864	/nfs/dbraw/zinc/39/28/64/634392864.db2.gz	CXDOPVWHKMAKIX-UHFFFAOYSA-N	2	0	248.374	2.045	1	0		BEAFRP
CCC[NH2+]CCCC[NH2+]CCCC[NH2+]CCC	ZINC000013522154	169256832	/nfs/dbraw/zinc/25/68/32/169256832.db2.gz	LNGTXRVVYQFTIC-UHFFFAOYSA-N	3	0	243.439	2.136	1	0		BEAFRP
C[NH2+][C@]12CC[C@@H](C[NH3+])C[C@@H]1CCc1ccccc12	ZINC000029570727	173470647	/nfs/dbraw/zinc/47/06/47/173470647.db2.gz	QIQULVBMGCYJCX-IVMMDQJWSA-N	2	0	244.382	2.423	1	0		BEAFRP
C/C(=C(/C)c1cc[n+](C)cc1)c1cc[n+](C)cc1	ZINC000001631831	166230921	/nfs/dbraw/zinc/23/09/21/166230921.db2.gz	LBXRDCKWPGMWSE-BUHFOSPRSA-N	2	0	240.350	2.286	1	0		BEAFRP
C[NH2+][C@@]12CC[C@@H](C[NH3+])C[C@@H]1CCc1ccccc12	ZINC000029570724	173441475	/nfs/dbraw/zinc/44/14/75/173441475.db2.gz	QIQULVBMGCYJCX-INWMFGNUSA-N	2	0	244.382	2.423	1	0		BEAFRP
[NH3+]C[C@@H]1CC[C@]2([NH3+])c3ccccc3CC[C@H]2C1	ZINC000026158689	181437377	/nfs/dbraw/zinc/43/73/77/181437377.db2.gz	IVGRCHWIUFCWHC-OSAQELSMSA-N	2	0	230.355	2.162	1	0		BEAFRP
CC[NH2+]CCCCC[NH2+]CCCCC[NH2+]CC	ZINC000013605752	170111897	/nfs/dbraw/zinc/11/18/97/170111897.db2.gz	IXQGLCRJXHAMRD-UHFFFAOYSA-N	3	0	243.439	2.136	1	0		BEAFRP
CC(C)=CCNC(=[NH2+])Nc1ccc(C[NH3+])cc1	ZINC000042920051	188121335	/nfs/dbraw/zinc/12/13/35/188121335.db2.gz	KCPKWKCQYOFATH-UHFFFAOYSA-N	2	0	232.331	2.048	1	0		BEAFRP
Cc1ccc(SCC[NH2+]CCC[NH3+])cc1	ZINC000027216352	187765256	/nfs/dbraw/zinc/76/52/56/187765256.db2.gz	GBSDLJUGYRBAOD-UHFFFAOYSA-N	2	0	224.373	2.026	1	0		BEAFRP
[NH3+][C@H]1CCCC[NH2+]CCc2c3ccccc3[nH]c21	ZINC000034516809	181639589	/nfs/dbraw/zinc/63/95/89/181639589.db2.gz	UWSGEWMTRVDJPU-ZDUSSCGKSA-N	2	0	243.354	2.484	1	0		BEAFRP
C[NH2+]C[C@@H]1CC[C@@]2([NH2+]C)c3ccccc3C[C@H]2C1	ZINC000027739925	173372052	/nfs/dbraw/zinc/37/20/52/173372052.db2.gz	UJXKNNKDQGXQGC-XPKDYRNWSA-N	2	0	244.382	2.293	1	0		BEAFRP
Cc1cccc2[n+]1C[C@@H]1C[C@H]2C[N@@H+]2CCCC[C@H]12	ZINC000085487415	560076094	/nfs/dbraw/zinc/07/60/94/560076094.db2.gz	XYNSPFVRYARHDF-SOUVJXGZSA-N	2	0	242.366	2.128	1	0	biogenic,in-vitro	BEAFRP
CC(=[NH2+])NCc1ccc(NC(C)=[NH2+])cc1	ZINC000026723019	188109971	/nfs/dbraw/zinc/10/99/71/188109971.db2.gz	YCZMMLWYZCTQIU-UHFFFAOYSA-N	2	0	204.277	2.182	1	0		BEAFRP
COc1ccc2c(NCC[NH+](C)C)cc[nH+]c2c1	ZINC000045284096	175205868	/nfs/dbraw/zinc/20/58/68/175205868.db2.gz	KDNRCHSNXLRCAR-UHFFFAOYSA-N	2	0	245.326	2.217	1	0		BEAFRP