smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c2nc(C[N@@H+](C)CC(C)(CO)CO)n(C)c2c(=O)[nH]c1=O	ZINC000159581797	535137285	/nfs/dbraw/zinc/13/72/85/535137285.db2.gz	GMIUJRRBVSXJBU-UHFFFAOYSA-N	1	2	367.450	-0.354	20	70		FBIDLO
CCCCn1c2nc(C[N@H+](C)CC(C)(CO)CO)n(C)c2c(=O)[nH]c1=O	ZINC000159581797	535137280	/nfs/dbraw/zinc/13/72/80/535137280.db2.gz	GMIUJRRBVSXJBU-UHFFFAOYSA-N	1	2	367.450	-0.354	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676682	243199672	/nfs/dbraw/zinc/19/96/72/243199672.db2.gz	DGDMZOIWPOYSFH-HUUCEWRRSA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676682	243199670	/nfs/dbraw/zinc/19/96/70/243199670.db2.gz	DGDMZOIWPOYSFH-HUUCEWRRSA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676785	243201586	/nfs/dbraw/zinc/20/15/86/243201586.db2.gz	DGDMZOIWPOYSFH-LSDHHAIUSA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676785	243201582	/nfs/dbraw/zinc/20/15/82/243201582.db2.gz	DGDMZOIWPOYSFH-LSDHHAIUSA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc2[nH]c(=O)c1=O	ZINC000159676868	243200117	/nfs/dbraw/zinc/20/01/17/243200117.db2.gz	DGDMZOIWPOYSFH-CABCVRRESA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc2[nH]c(=O)c1=O	ZINC000159676868	243200105	/nfs/dbraw/zinc/20/01/05/243200105.db2.gz	DGDMZOIWPOYSFH-CABCVRRESA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676984	243198863	/nfs/dbraw/zinc/19/88/63/243198863.db2.gz	DGDMZOIWPOYSFH-GJZGRUSLSA-N	1	2	358.398	-0.135	20	70		FBIDLO
CCn1c2ccc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2[nH]c(=O)c1=O	ZINC000159676984	243198860	/nfs/dbraw/zinc/19/88/60/243198860.db2.gz	DGDMZOIWPOYSFH-GJZGRUSLSA-N	1	2	358.398	-0.135	20	70		FBIDLO
C[N@H+]1CCO[C@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)C[C@@H]21	ZINC000159691441	243201447	/nfs/dbraw/zinc/20/14/47/243201447.db2.gz	HRDADHHBZJLJDQ-GJZGRUSLSA-N	1	2	358.398	-0.379	20	70		FBIDLO
C[N@@H+]1CCO[C@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)C[C@@H]21	ZINC000159691441	243201441	/nfs/dbraw/zinc/20/14/41/243201441.db2.gz	HRDADHHBZJLJDQ-GJZGRUSLSA-N	1	2	358.398	-0.379	20	70		FBIDLO
C[N@H+]1CCO[C@@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)C[C@@H]21	ZINC000159691578	243201526	/nfs/dbraw/zinc/20/15/26/243201526.db2.gz	HRDADHHBZJLJDQ-LSDHHAIUSA-N	1	2	358.398	-0.379	20	70		FBIDLO
C[N@@H+]1CCO[C@@H]2CN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)C[C@@H]21	ZINC000159691578	243201517	/nfs/dbraw/zinc/20/15/17/243201517.db2.gz	HRDADHHBZJLJDQ-LSDHHAIUSA-N	1	2	358.398	-0.379	20	70		FBIDLO
C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1	ZINC000161106565	483956891	/nfs/dbraw/zinc/95/68/91/483956891.db2.gz	MTUBPJVRIRJEJB-ZDUSSCGKSA-N	1	2	368.507	-0.031	20	70		FBIDLO
C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1	ZINC000161106681	483957171	/nfs/dbraw/zinc/95/71/71/483957171.db2.gz	MTUBPJVRIRJEJB-CYBMUJFWSA-N	1	2	368.507	-0.031	20	70		FBIDLO
C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]21	ZINC000161143552	243199184	/nfs/dbraw/zinc/19/91/84/243199184.db2.gz	MSFWIBTZGRUSCJ-OUAUKWLOSA-N	1	2	350.341	-0.126	20	70		FBIDLO
C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]21	ZINC000161143552	243199181	/nfs/dbraw/zinc/19/91/81/243199181.db2.gz	MSFWIBTZGRUSCJ-OUAUKWLOSA-N	1	2	350.341	-0.126	20	70		FBIDLO
Cc1nn(C)c(=O)c(C(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c1C	ZINC000161266750	243201047	/nfs/dbraw/zinc/20/10/47/243201047.db2.gz	IAJKRGYDZGVOND-UHFFFAOYSA-N	1	2	361.446	-0.223	20	70		FBIDLO