smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1ccccc1C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CCCC1	ZINC000124084225	1043499213	/nfs/dbraw/zinc/49/92/13/1043499213.db2.gz	UDEFPJUTQXFCLE-UHFFFAOYSA-N	1	1	321.424	4.213	40	10		DICBMO
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(N(C)C)cc2)on1	ZINC000019120264	182105288	/nfs/dbraw/zinc/10/52/88/182105288.db2.gz	HDNXOPQCKZVWOG-SFHVURJKSA-N	1	1	313.445	4.166	40	10		DICBMO
Cc1cc(C)c(O)c(C[N@H+](C)Cc2c(O)ccc3ccccc32)c1	ZINC000001760405	563295198	/nfs/dbraw/zinc/29/51/98/563295198.db2.gz	VVSRAIJNARUXJQ-UHFFFAOYSA-N	1	1	321.420	4.500	40	10		DICBMO
Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)on1	ZINC000019120227	182105376	/nfs/dbraw/zinc/10/53/76/182105376.db2.gz	GYSKLUJTQGEWCR-HNNXBMFYSA-N	1	1	320.820	4.459	40	10		DICBMO
Cc1ccc2[nH+]c(-c3ccc(O)c(O)c3)c(NC3CCCC3)n2c1	ZINC000034791389	563237337	/nfs/dbraw/zinc/23/73/37/563237337.db2.gz	WEQBLNUDEVWGCQ-UHFFFAOYSA-N	1	1	323.396	4.075	40	10		DICBMO
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(N(C)C)cc2)on1	ZINC000019120261	182105011	/nfs/dbraw/zinc/10/50/11/182105011.db2.gz	HDNXOPQCKZVWOG-GOSISDBHSA-N	1	1	313.445	4.166	40	10		DICBMO
Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)c1O	ZINC000001760412	563295331	/nfs/dbraw/zinc/29/53/31/563295331.db2.gz	SEQPALHQCJBUCE-UHFFFAOYSA-N	1	1	305.805	4.000	40	10		DICBMO
Cc1cc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)on1	ZINC000019120229	182105470	/nfs/dbraw/zinc/10/54/70/182105470.db2.gz	GYSKLUJTQGEWCR-OAHLLOKOSA-N	1	1	320.820	4.459	40	10		DICBMO