smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@H+]2C2CCN(C)CC2)N1C	ZINC000022923579	556341971	/nfs/dbraw/zinc/34/19/71/556341971.db2.gz	DRYZDRSGLAAUKU-HIUFNZKISA-N	1	3	435.613	0.371	40	0	biogenic,in-vitro	ICABHO
COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@@H+]2C2CCN(C)CC2)N1C	ZINC000022923579	556341965	/nfs/dbraw/zinc/34/19/65/556341965.db2.gz	DRYZDRSGLAAUKU-HIUFNZKISA-N	1	3	435.613	0.371	40	0	biogenic,in-vitro	ICABHO
COc1cc(CN2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585270626	568617279	/nfs/dbraw/zinc/61/72/79/568617279.db2.gz	AJWWOHGDDHOONA-HSZRJFAPSA-N	1	3	434.581	0.737	40	0		ICABHO
COc1cc(CN2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCC[NH+](C)C	ZINC000585270627	568617076	/nfs/dbraw/zinc/61/70/76/568617076.db2.gz	AJWWOHGDDHOONA-QHCPKHFHSA-N	1	3	434.581	0.737	40	0		ICABHO
COc1cc(CN2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)ccc1OCCN1CCOCC1	ZINC000585273922	557218056	/nfs/dbraw/zinc/21/80/56/557218056.db2.gz	SYIVDPRCLZFIRK-DEOSSOPVSA-N	1	3	448.608	0.590	40	0		ICABHO
COc1cc(CN2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)ccc1OCCN1CCOCC1	ZINC000585273923	557218100	/nfs/dbraw/zinc/21/81/00/557218100.db2.gz	SYIVDPRCLZFIRK-XMMPIXPASA-N	1	3	448.608	0.590	40	0		ICABHO
C[NH+](C)CCOc1cccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1	ZINC000585291829	557229388	/nfs/dbraw/zinc/22/93/88/557229388.db2.gz	TZELYMVYKHDDCO-YADHBBJMSA-N	1	3	449.573	0.513	40	0		ICABHO
COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNC4CC[NH+](C)CC4)[C@@H](O)[C@H]3O2)cc1	ZINC000604381519	557236496	/nfs/dbraw/zinc/23/64/96/557236496.db2.gz	HFQVITORXYDXOS-XCWFNORRSA-N	1	3	433.549	0.671	40	0	biogenic,in-vitro	ICABHO