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+](C)(C)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000026670366	563033214	/nfs/dbraw/zinc/03/32/14/563033214.db2.gz	MBIOPAAJMCBYKF-FQYQUSJJSA-O	2	1	472.609	3.769	1	5		JHBFMP
NC(=[NH2+])NCCC[NH2+]CCCC[NH2+]CCCNCc1ccc2ccc3cccc4ccc1c2c34	ZINC000028825496	563082260	/nfs/dbraw/zinc/08/22/60/563082260.db2.gz	BVWYRHYAPIHOIO-UHFFFAOYSA-N	3	1	458.654	3.896	1	5		JHBFMP
C[N+](C)(C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000013809257	562995679	/nfs/dbraw/zinc/99/56/79/562995679.db2.gz	VALORJVZAMITOX-QVDUQQMDSA-O	2	1	486.636	3.779	1	5		JHBFMP
CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	ZINC000029134374	563097891	/nfs/dbraw/zinc/09/78/91/563097891.db2.gz	HJVFHJSWZHQVMV-VMGNSXQWSA-N	2	1	494.636	3.755	1	5		JHBFMP
CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2C[NH2+]1	ZINC000029134374	563097892	/nfs/dbraw/zinc/09/78/92/563097892.db2.gz	HJVFHJSWZHQVMV-VMGNSXQWSA-N	2	1	494.636	3.755	1	5		JHBFMP
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc3[nH+]ccc(N4CC[N@@H+]5CCC[C@@H]5C4)c3cc21	ZINC000045167966	563173424	/nfs/dbraw/zinc/17/34/24/563173424.db2.gz	KBXMWBVXGXDVAD-OAQYLSRUSA-N	2	1	457.534	3.559	1	5		JHBFMP
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc3[nH+]ccc(N4CC[N@H+]5CCC[C@@H]5C4)c3cc21	ZINC000045167966	563173425	/nfs/dbraw/zinc/17/34/25/563173425.db2.gz	KBXMWBVXGXDVAD-OAQYLSRUSA-N	2	1	457.534	3.559	1	5		JHBFMP