smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120227	182105378	/nfs/dbraw/zinc/10/53/78/182105378.db2.gz	GYSKLUJTQGEWCR-HNNXBMFYSA-N	0	1	320.820	4.459	40	10		DICBMN
Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120227	182105379	/nfs/dbraw/zinc/10/53/79/182105379.db2.gz	GYSKLUJTQGEWCR-HNNXBMFYSA-N	0	1	320.820	4.459	40	10		DICBMN
CCN(CC)c1ccc(CNCc2ccccc2Cl)cc1	ZINC000006869704	563639192	/nfs/dbraw/zinc/63/91/92/563639192.db2.gz	AAEYFUSIAYSAHL-UHFFFAOYSA-N	0	1	302.849	4.476	40	10		DICBMN
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120229	182105471	/nfs/dbraw/zinc/10/54/71/182105471.db2.gz	GYSKLUJTQGEWCR-OAHLLOKOSA-N	0	1	320.820	4.459	40	10		DICBMN
Cc1cc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2[O-])on1	ZINC000019120229	182105472	/nfs/dbraw/zinc/10/54/72/182105472.db2.gz	GYSKLUJTQGEWCR-OAHLLOKOSA-N	0	1	320.820	4.459	40	10		DICBMN
[O-]c1c([C@H](c2ccc(F)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000000067256	563592899	/nfs/dbraw/zinc/59/28/99/563592899.db2.gz	ASXOSTOFHSBSSS-IBGZPJMESA-N	0	1	322.383	4.265	40	10		DICBMN
[O-]c1c([C@H](c2ccccc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000045944490	1047565298	/nfs/dbraw/zinc/56/52/98/1047565298.db2.gz	DMPJVOWKYCKFJN-IBGZPJMESA-N	0	1	304.393	4.126	40	10		DICBMN
CCOc1cc2nccc(Nc3ccc(N)cc3)c2cc1OCC	ZINC000064875347	257128247	/nfs/dbraw/zinc/12/82/47/257128247.db2.gz	AIKBZBNFAQMLRV-UHFFFAOYSA-N	0	1	323.396	4.358	40	10		DICBMN
[O-]c1c([C@@H](c2ccccc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000045944491	1047565126	/nfs/dbraw/zinc/56/51/26/1047565126.db2.gz	DMPJVOWKYCKFJN-LJQANCHMSA-N	0	1	304.393	4.126	40	10		DICBMN
Cc1cc(C)c2c(n[nH]c2NCc2c(O)ccc3ccccc32)n1	ZINC000012154421	563363340	/nfs/dbraw/zinc/36/33/40/563363340.db2.gz	WLAQBOCXYDWCJG-UHFFFAOYSA-N	0	1	318.380	4.046	40	10		DICBMN
[O-]c1c([C@@H](c2ccc(F)cc2)[NH+]2CCCC2)ccc2cccnc21	ZINC000000067244	563592920	/nfs/dbraw/zinc/59/29/20/563592920.db2.gz	ASXOSTOFHSBSSS-LJQANCHMSA-N	0	1	322.383	4.265	40	10		DICBMN
COCc1cc(C(C)(C)C)cc(C[NH2+]C2CCCCC2)c1[O-]	ZINC000001594601	563286942	/nfs/dbraw/zinc/28/69/42/563286942.db2.gz	JENIELNHVCCHQF-UHFFFAOYSA-N	0	1	305.462	4.258	40	10		DICBMN