smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)([N+](=O)[O-])[N+](=O)[N-]c1nonc1[N-][N+](=O)C(C)(C)[N+](=O)[O-]	ZINC000225422789	201034736	/nfs/dbraw/zinc/03/47/36/201034736.db2.gz	LPDAMBCLSDZMGZ-UHFFFAOYSA-N	2	0	334.249	1.066	50	10		EDCARP
[NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1	ZINC000237899541	443187717	/nfs/dbraw/zinc/18/77/17/443187717.db2.gz	COJBLAXISRVTII-LSDHHAIUSA-N	2	0	334.439	1.369	50	10		EDCARP
CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+](C)C3CC3)cc2F)CC1	ZINC000071883705	203136700	/nfs/dbraw/zinc/13/67/00/203136700.db2.gz	FKWIPRVKDZEEBA-UHFFFAOYSA-N	2	0	348.466	1.678	50	10		EDCARP
[NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)C1	ZINC000238017481	443192917	/nfs/dbraw/zinc/19/29/17/443192917.db2.gz	COJBLAXISRVTII-CABCVRRESA-N	2	0	334.439	1.369	50	10		EDCARP
C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)CC1	ZINC000104399113	219383256	/nfs/dbraw/zinc/38/32/56/219383256.db2.gz	SYYMOAYDYNHFCN-GOSISDBHSA-N	2	0	333.476	1.355	50	10		EDCARP
C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1	ZINC000237576385	443176471	/nfs/dbraw/zinc/17/64/71/443176471.db2.gz	SJDSMNMYROUKJE-AWEZNQCLSA-N	2	0	334.439	1.336	50	10		EDCARP