smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1Cl	ZINC000062582133	524500295	/nfs/dbraw/zinc/50/02/95/524500295.db2.gz	QGJIOAOWQXIQIL-UHFFFAOYSA-N	2	2	430.936	3.610	50	30		IHEALP
NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C[NH+]1CCCCC1	ZINC000058157152	526804644	/nfs/dbraw/zinc/80/46/44/526804644.db2.gz	LVMYQLMWJMTDGY-UHFFFAOYSA-N	2	2	445.907	3.510	50	30		IHEALP
N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321292	/nfs/dbraw/zinc/32/12/92/569321292.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321294	/nfs/dbraw/zinc/32/12/94/569321294.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321295	/nfs/dbraw/zinc/32/12/95/569321295.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985024	569321297	/nfs/dbraw/zinc/32/12/97/569321297.db2.gz	DWQUUIKOMULMKV-RUZDIDTESA-N	2	2	434.559	3.786	50	30		IHEALP
C[N+](=O)Cc1cccc(OCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1	ZINC000020365301	557011902	/nfs/dbraw/zinc/01/19/02/557011902.db2.gz	QVVQWIYNZZPAJX-VULFUBBASA-N	2	2	442.869	3.514	50	30		IHEALP
N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321349	/nfs/dbraw/zinc/32/13/49/569321349.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321351	/nfs/dbraw/zinc/32/13/51/569321351.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321353	/nfs/dbraw/zinc/32/13/53/569321353.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	2	2	434.559	3.786	50	30		IHEALP
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC2)cc1	ZINC000078985017	569321354	/nfs/dbraw/zinc/32/13/54/569321354.db2.gz	DWQUUIKOMULMKV-VWLOTQADSA-N	2	2	434.559	3.786	50	30		IHEALP
CCOCCC[NH+]=C(NCCCn1c(C)[nH+]c2ccccc21)NCc1ccc(OC)cc1	ZINC000058356450	521678227	/nfs/dbraw/zinc/67/82/27/521678227.db2.gz	IDJLGMBSBIVFJP-UHFFFAOYSA-N	2	2	437.588	3.905	50	30		IHEALP
N#Cc1ccnc(Nc2cc(C3CC[NH+](C4COC4)CC3)cc(N3CCC(F)(F)C3)[nH+]2)c1	ZINC000207101276	569584470	/nfs/dbraw/zinc/58/44/70/569584470.db2.gz	RHFIAUKMKYHHFA-UHFFFAOYSA-N	2	2	440.498	3.515	50	30	in-vitro	IHEALP
Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761408	527441809	/nfs/dbraw/zinc/44/18/09/527441809.db2.gz	HCUIHPZPPUNMBG-KRWDZBQOSA-N	2	2	425.602	3.905	50	30		IHEALP
Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761408	527441818	/nfs/dbraw/zinc/44/18/18/527441818.db2.gz	HCUIHPZPPUNMBG-KRWDZBQOSA-N	2	2	425.602	3.905	50	30		IHEALP
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1	ZINC000012716625	519070717	/nfs/dbraw/zinc/07/07/17/519070717.db2.gz	QAEXFZTWDIQVNH-HSZRJFAPSA-N	2	2	448.611	3.987	50	30		IHEALP
C=CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1	ZINC000012716625	519070724	/nfs/dbraw/zinc/07/07/24/519070724.db2.gz	QAEXFZTWDIQVNH-HSZRJFAPSA-N	2	2	448.611	3.987	50	30		IHEALP
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1	ZINC000012716621	519069505	/nfs/dbraw/zinc/06/95/05/519069505.db2.gz	QAEXFZTWDIQVNH-QHCPKHFHSA-N	2	2	448.611	3.987	50	30		IHEALP
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1	ZINC000012716621	519069511	/nfs/dbraw/zinc/06/95/11/519069511.db2.gz	QAEXFZTWDIQVNH-QHCPKHFHSA-N	2	2	448.611	3.987	50	30		IHEALP
CC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1cccc(C#N)c1	ZINC000035954635	521275173	/nfs/dbraw/zinc/27/51/73/521275173.db2.gz	LEJDQXJOLYRYJN-UHFFFAOYSA-N	2	2	446.574	3.965	50	30		IHEALP
CC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1cccc(C#N)c1	ZINC000035954635	521275183	/nfs/dbraw/zinc/27/51/83/521275183.db2.gz	LEJDQXJOLYRYJN-UHFFFAOYSA-N	2	2	446.574	3.965	50	30		IHEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1C#N	ZINC000072308293	556565931	/nfs/dbraw/zinc/56/59/31/556565931.db2.gz	HKJYSFXZYDPDKS-UHFFFAOYSA-N	2	2	446.555	3.552	50	30		IHEALP
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1C#N	ZINC000072308293	556565934	/nfs/dbraw/zinc/56/59/34/556565934.db2.gz	HKJYSFXZYDPDKS-UHFFFAOYSA-N	2	2	446.555	3.552	50	30		IHEALP
Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761409	527443502	/nfs/dbraw/zinc/44/35/02/527443502.db2.gz	HCUIHPZPPUNMBG-QGZVFWFLSA-N	2	2	425.602	3.905	50	30		IHEALP
Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000089761409	527443508	/nfs/dbraw/zinc/44/35/08/527443508.db2.gz	HCUIHPZPPUNMBG-QGZVFWFLSA-N	2	2	425.602	3.905	50	30		IHEALP