smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=C/CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1	ZINC000002479882	471408502	/nfs/dbraw/zinc/40/85/02/471408502.db2.gz	WHPBQNCXFIVNFE-JXMROGBWSA-N	2	0	346.563	2.971	50	10		EFCARP
COc1ccc(N2CCC([N@@H+]3CCC4(C3)CC[NH2+]CC4)CC2)cc1	ZINC000067804784	472091671	/nfs/dbraw/zinc/09/16/71/472091671.db2.gz	HYKAHNYREIEPNN-UHFFFAOYSA-N	2	0	329.488	2.740	50	10		EFCARP
C[NH+](C)C[C@@H]1[C@H]2C[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]21	ZINC001506420303	1405761454	/nfs/dbraw/zinc/76/14/54/1405761454.db2.gz	BLJUAUZVYMNVSW-DKUWSORSSA-N	2	0	339.527	2.884	50	10		EFCARP
CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000067786975	472089891	/nfs/dbraw/zinc/08/98/91/472089891.db2.gz	MOIITGCCUYUMMM-INIZCTEOSA-N	2	0	345.487	2.706	50	10		EFCARP
CN1CC[N@H+](C)CC12CC[NH+](Cc1cccc(C(C)(C)C)c1O)CC2	ZINC000067542030	472046654	/nfs/dbraw/zinc/04/66/54/472046654.db2.gz	ORRYERRPPUXQRP-UHFFFAOYSA-N	2	0	345.531	2.902	50	10		EFCARP
CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)C1	ZINC000067786972	472089523	/nfs/dbraw/zinc/08/95/23/472089523.db2.gz	MOIITGCCUYUMMM-MRXNPFEDSA-N	2	0	345.487	2.706	50	10		EFCARP
COc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1O	ZINC000065492416	472955717	/nfs/dbraw/zinc/95/57/17/472955717.db2.gz	PXNGRZPORBWXKR-UHFFFAOYSA-N	2	0	327.428	2.817	50	10		EFCARP