smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C[N@@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)ccc1F	ZINC000218738714	570340015	/nfs/dbraw/zinc/34/00/15/570340015.db2.gz	UOUASPSTUZBXLZ-JOCHJYFZSA-N	1	2	381.451	3.518	50	70		GHIALO
COc1cc(C[N@H+]2CCCn3nc([C@H](O)c4ccccc4)cc3C2)ccc1F	ZINC000218738714	570340018	/nfs/dbraw/zinc/34/00/18/570340018.db2.gz	UOUASPSTUZBXLZ-JOCHJYFZSA-N	1	2	381.451	3.518	50	70		GHIALO
COc1cc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)ccc1F	ZINC000218738652	570340045	/nfs/dbraw/zinc/34/00/45/570340045.db2.gz	UOUASPSTUZBXLZ-QFIPXVFZSA-N	1	2	381.451	3.518	50	70		GHIALO
COc1cc(C[N@H+]2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)ccc1F	ZINC000218738652	570340047	/nfs/dbraw/zinc/34/00/47/570340047.db2.gz	UOUASPSTUZBXLZ-QFIPXVFZSA-N	1	2	381.451	3.518	50	70		GHIALO
Cn1nc(-c2cccs2)cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1	ZINC000218767107	570340779	/nfs/dbraw/zinc/34/07/79/570340779.db2.gz	UGBXLUFHELJOQZ-QGZVFWFLSA-N	1	2	377.473	3.516	50	70		GHIALO
O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1[nH]c2ccccc2[nH+]1	ZINC000218387940	570333193	/nfs/dbraw/zinc/33/31/93/570333193.db2.gz	MAIHEHTXAWZCFI-UHFFFAOYSA-N	1	2	394.519	3.789	50	70		GHIALO
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(O[C@@H]2CCOC2)cc1	ZINC000160240901	136196416	/nfs/dbraw/zinc/19/64/16/136196416.db2.gz	AIEJDGZBIRDTRA-HXUWFJFHSA-N	1	2	396.491	3.561	50	70		GHIALO
Cn1c(CCCCCNC(=O)Cc2ccc3c(c2)OCC3)[nH+]c2ccccc21	ZINC000218517483	570335902	/nfs/dbraw/zinc/33/59/02/570335902.db2.gz	OVGXZHJXGMHBLZ-UHFFFAOYSA-N	1	2	377.488	3.580	50	70		GHIALO
Cn1nc(-c2cccs2)cc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1	ZINC000218767073	570340703	/nfs/dbraw/zinc/34/07/03/570340703.db2.gz	UGBXLUFHELJOQZ-KRWDZBQOSA-N	1	2	377.473	3.516	50	70		GHIALO
COc1ccc(C[N@@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1Cl	ZINC000218264917	570328982	/nfs/dbraw/zinc/32/89/82/570328982.db2.gz	SJALKMJXNSZMSZ-HXUWFJFHSA-N	1	2	375.900	3.785	50	70		GHIALO
COc1ccc(C[N@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1Cl	ZINC000218264917	570328986	/nfs/dbraw/zinc/32/89/86/570328986.db2.gz	SJALKMJXNSZMSZ-HXUWFJFHSA-N	1	2	375.900	3.785	50	70		GHIALO
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(O[C@H]2CCOC2)cc1	ZINC000160241068	136196429	/nfs/dbraw/zinc/19/64/29/136196429.db2.gz	AIEJDGZBIRDTRA-FQEVSTJZSA-N	1	2	396.491	3.561	50	70		GHIALO
COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccn2cc[nH+]c2c1	ZINC000161196743	570970212	/nfs/dbraw/zinc/97/02/12/570970212.db2.gz	NQQZJFDPUNSBFM-UHFFFAOYSA-N	1	2	392.459	3.611	50	70		GHIALO
COc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cc1Cl	ZINC000218264868	570329060	/nfs/dbraw/zinc/32/90/60/570329060.db2.gz	SJALKMJXNSZMSZ-FQEVSTJZSA-N	1	2	375.900	3.785	50	70		GHIALO
COc1ccc(C[N@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cc1Cl	ZINC000218264868	570329064	/nfs/dbraw/zinc/32/90/64/570329064.db2.gz	SJALKMJXNSZMSZ-FQEVSTJZSA-N	1	2	375.900	3.785	50	70		GHIALO