smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1cccc(O)c1)N1CC[NH+](CCCNC(=O)c2ccc(O)c(O)c2)CC1	ZINC000058582143	563145061	/nfs/dbraw/zinc/14/50/61/563145061.db2.gz	UUWDJBQXJFELJP-VMPITWQZSA-N	1	1	425.485	1.781	1	10		IDCFMO
O=C(/C=C/c1ccccc1)N1CC[NH+](CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000058591412	563145523	/nfs/dbraw/zinc/14/55/23/563145523.db2.gz	DNGDNTDZVWDBBB-BQYQJAHWSA-N	1	1	425.485	1.781	1	10		IDCFMO
CN(C)CCNC(=O)c1ccc(C(=O)NCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	ZINC000027201278	563040607	/nfs/dbraw/zinc/04/06/07/563040607.db2.gz	SXSXWPDVUAFAFH-UHFFFAOYSA-N	1	1	436.512	1.045	1	10		IDCFMO
CN(CCO)CCNc1ccc(NCC[N@H+](C)CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000029486172	563081414	/nfs/dbraw/zinc/08/14/14/563081414.db2.gz	BIXABEKDSLDELA-UHFFFAOYSA-N	1	1	440.544	1.134	1	10		IDCFMO
CN(CCO)CCNc1ccc(NCC[N@@H+](C)CCO)c2c1C(=O)c1ccccc1C2=O	ZINC000029486172	563081415	/nfs/dbraw/zinc/08/14/15/563081415.db2.gz	BIXABEKDSLDELA-UHFFFAOYSA-N	1	1	440.544	1.134	1	10		IDCFMO
[NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447204	563153145	/nfs/dbraw/zinc/15/31/45/563153145.db2.gz	QCYSGBGFJPSNQB-LJQANCHMSA-N	1	1	427.464	1.622	1	10		IDCFMO
O=C(/C=C/c1cccc(O)c1)N1CC[NH+](CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1	ZINC000058592624	563145635	/nfs/dbraw/zinc/14/56/35/563145635.db2.gz	TVPZZEYTFQPFSH-AATRIKPKSA-N	1	1	441.484	1.487	1	10		IDCFMO
[NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000064447205	563153244	/nfs/dbraw/zinc/15/32/44/563153244.db2.gz	QCYSGBGFJPSNQB-IBGZPJMESA-N	1	1	427.464	1.622	1	10		IDCFMO