smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1[C@@H]2CC(OC(=O)[C@@H]3CC[C@@](C(=O)OC4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000079216641	553670804	/nfs/dbraw/zinc/67/08/04/553670804.db2.gz	DZKBRKKSFHBYIN-BHHLKMBKSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2CC(OC(=O)[C@@H]3CC[C@@](C(=O)OC4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000079216641	553670801	/nfs/dbraw/zinc/67/08/01/553670801.db2.gz	DZKBRKKSFHBYIN-BHHLKMBKSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2CC(OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)OC4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000079216641	553670799	/nfs/dbraw/zinc/67/07/99/553670799.db2.gz	DZKBRKKSFHBYIN-BHHLKMBKSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2CC(OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)OC4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000079216641	553670796	/nfs/dbraw/zinc/67/07/96/553670796.db2.gz	DZKBRKKSFHBYIN-BHHLKMBKSA-N	2	2	570.686	3.161	40	30		KGEBLP
NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N[NH+]=Cc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000150375975	571466409	/nfs/dbraw/zinc/46/64/09/571466409.db2.gz	OEAKXRSJKXXDLH-UZWMFBFFSA-N	2	2	650.718	3.157	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000238771219	572188156	/nfs/dbraw/zinc/18/81/56/572188156.db2.gz	DZKBRKKSFHBYIN-ULJVJCJHSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000238771219	572188154	/nfs/dbraw/zinc/18/81/54/572188154.db2.gz	DZKBRKKSFHBYIN-ULJVJCJHSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000238771219	572188152	/nfs/dbraw/zinc/18/81/52/572188152.db2.gz	DZKBRKKSFHBYIN-ULJVJCJHSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000238771219	572188150	/nfs/dbraw/zinc/18/81/50/572188150.db2.gz	DZKBRKKSFHBYIN-ULJVJCJHSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693554	572281542	/nfs/dbraw/zinc/28/15/42/572281542.db2.gz	DZKBRKKSFHBYIN-IJKVADSESA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693554	572281540	/nfs/dbraw/zinc/28/15/40/572281540.db2.gz	DZKBRKKSFHBYIN-IJKVADSESA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693554	572281538	/nfs/dbraw/zinc/28/15/38/572281538.db2.gz	DZKBRKKSFHBYIN-IJKVADSESA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693554	572281536	/nfs/dbraw/zinc/28/15/36/572281536.db2.gz	DZKBRKKSFHBYIN-IJKVADSESA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693557	572281553	/nfs/dbraw/zinc/28/15/53/572281553.db2.gz	DZKBRKKSFHBYIN-OYBKGBBSSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693557	572281552	/nfs/dbraw/zinc/28/15/52/572281552.db2.gz	DZKBRKKSFHBYIN-OYBKGBBSSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693557	572281550	/nfs/dbraw/zinc/28/15/50/572281550.db2.gz	DZKBRKKSFHBYIN-OYBKGBBSSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693557	572281548	/nfs/dbraw/zinc/28/15/48/572281548.db2.gz	DZKBRKKSFHBYIN-OYBKGBBSSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693559	572281587	/nfs/dbraw/zinc/28/15/87/572281587.db2.gz	DZKBRKKSFHBYIN-URHNMGLVSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@@H](OC(=O)[C@@H]3CC[C@@](C(=O)O[C@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)(c4ccccc4)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693559	572281586	/nfs/dbraw/zinc/28/15/86/572281586.db2.gz	DZKBRKKSFHBYIN-URHNMGLVSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693559	572281584	/nfs/dbraw/zinc/28/15/84/572281584.db2.gz	DZKBRKKSFHBYIN-URHNMGLVSA-N	2	2	570.686	3.161	40	30		KGEBLP
C[NH+]1[C@@H]2C[C@H](OC(=O)[C@@]3(c4ccccc4)CC[C@@H](C(=O)O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)c4ccccc43)C[C@H]1[C@@H]1O[C@@H]12	ZINC000252693559	572281583	/nfs/dbraw/zinc/28/15/83/572281583.db2.gz	DZKBRKKSFHBYIN-URHNMGLVSA-N	2	2	570.686	3.161	40	30		KGEBLP