smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2c(c1)N1[C@H]3[C@H]4[C@H]5C[C@@H]6[NH+](CC[C@@]263)CC5=CCO[C@H]4N2c3ccccc3[C@@]34CC[N@@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54	ZINC000008234251	561705355	/nfs/dbraw/zinc/70/53/55/561705355.db2.gz	CIRUUTNLDXXBKU-HCKBHOMASA-N	2	1	584.764	4.267	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](O)[C@]1(O)C(=O)OC)C2	ZINC000048307365	562663003	/nfs/dbraw/zinc/66/30/03/562663003.db2.gz	OBAOAFYUDIHEFP-KMYMPCDISA-N	2	1	736.910	4.183	10	0		KIAEMP
CCC1=C[C@@H]2C[NH+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](O)[C@]1(O)C(=O)OC)C2	ZINC000048307365	562663002	/nfs/dbraw/zinc/66/30/02/562663002.db2.gz	OBAOAFYUDIHEFP-KMYMPCDISA-N	2	1	736.910	4.183	10	0		KIAEMP
CCC1=C[C@@H]2C[N@@H+](C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](O)[C@]1(O)C(=O)OC)C2	ZINC000048307365	562663001	/nfs/dbraw/zinc/66/30/01/562663001.db2.gz	OBAOAFYUDIHEFP-KMYMPCDISA-N	2	1	736.910	4.183	10	0		KIAEMP
C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)CCCCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[NH+](C)C	ZINC000077286290	553658500	/nfs/dbraw/zinc/65/85/00/553658500.db2.gz	OVRSPEVBEPEKGL-HNRDUGFVSA-N	2	1	509.776	4.134	10	0	in-vitro	KIAEMP
C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)CCCCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[NH+](C)C	ZINC000077286292	553658476	/nfs/dbraw/zinc/65/84/76/553658476.db2.gz	OVRSPEVBEPEKGL-RDGMTTNXSA-N	2	1	509.776	4.134	10	0	in-vitro	KIAEMP
CCCC[C@@H](C)[C@@H](O)[C@@H](C(=O)CCCCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[NH+](C)C	ZINC000077291718	553659334	/nfs/dbraw/zinc/65/93/34/553659334.db2.gz	TTYSITHIYSFMJA-ZZDJCMGHSA-N	2	1	511.792	4.358	10	0	in-vitro	KIAEMP
CCCC[C@@H](C)[C@@H](O)[C@H](C(=O)CCCCCCC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)C(C)C)[NH+](C)C	ZINC000077291720	553659351	/nfs/dbraw/zinc/65/93/51/553659351.db2.gz	TTYSITHIYSFMJA-XYNQSRFLSA-N	2	1	511.792	4.358	10	0	in-vitro	KIAEMP
CC[C@H]1C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753184	/nfs/dbraw/zinc/75/31/84/562753184.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	2	1	808.973	4.403	10	0	in-man	KIAEMP
CC[C@H]1C[C@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753183	/nfs/dbraw/zinc/75/31/83/562753183.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	2	1	808.973	4.403	10	0	in-man	KIAEMP
CC[C@H]1C[C@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000085540106	562753182	/nfs/dbraw/zinc/75/31/82/562753182.db2.gz	KLFUUCHXSFIPMH-YBFGSCICSA-N	2	1	808.973	4.403	10	0	in-man	KIAEMP
CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303127	553695570	/nfs/dbraw/zinc/69/55/70/553695570.db2.gz	JCHOPEUTDRTCPT-YNUHUTJQSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303127	553695568	/nfs/dbraw/zinc/69/55/68/553695568.db2.gz	JCHOPEUTDRTCPT-YNUHUTJQSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303127	553695566	/nfs/dbraw/zinc/69/55/66/553695566.db2.gz	JCHOPEUTDRTCPT-YNUHUTJQSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303128	553695606	/nfs/dbraw/zinc/69/56/06/553695606.db2.gz	JCHOPEUTDRTCPT-JILWWYASSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303128	553695603	/nfs/dbraw/zinc/69/56/03/553695603.db2.gz	JCHOPEUTDRTCPT-JILWWYASSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C=O)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2	ZINC000094303128	553695600	/nfs/dbraw/zinc/69/56/00/553695600.db2.gz	JCHOPEUTDRTCPT-JILWWYASSA-N	2	1	806.957	4.323	10	0	in-vitro	KIAEMP
CC[C@]12C[NH+]3C[C@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[N@H+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000095539744	562755261	/nfs/dbraw/zinc/75/52/61/562755261.db2.gz	LPGWZGMPDKDHEP-NVDFJPPOSA-N	2	1	808.973	4.007	10	0		KIAEMP
CC[C@]12C[NH+]3C[C@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[N@@H+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000095539744	562755260	/nfs/dbraw/zinc/75/52/60/562755260.db2.gz	LPGWZGMPDKDHEP-NVDFJPPOSA-N	2	1	808.973	4.007	10	0		KIAEMP
CC[C@]12C[N@H+]3C[C@H](C[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@]56CC[NH+]5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@]4(O)C(=O)OC)c4[nH]c5ccccc5c4CC3)[C@H]1O2	ZINC000095539744	562755259	/nfs/dbraw/zinc/75/52/59/562755259.db2.gz	LPGWZGMPDKDHEP-NVDFJPPOSA-N	2	1	808.973	4.007	10	0		KIAEMP
CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1	ZINC000101391209	562810508	/nfs/dbraw/zinc/81/05/08/562810508.db2.gz	QETUKYDWZIRTEI-QUMGSSFMSA-N	2	1	509.670	4.307	10	0		KIAEMP