smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000013809253	561731744	/nfs/dbraw/zinc/73/17/44/561731744.db2.gz	KAQDWUGWKGESIN-NYTHPKCISA-N	3	1	513.602	2.002	1	30		KEEFMP
NC(=[NH2+])NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000013809253	561731743	/nfs/dbraw/zinc/73/17/43/561731743.db2.gz	KAQDWUGWKGESIN-NYTHPKCISA-N	3	1	513.602	2.002	1	30		KEEFMP
N=C(NC(N)=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5	ZINC000013809253	561731740	/nfs/dbraw/zinc/73/17/40/561731740.db2.gz	KAQDWUGWKGESIN-NYTHPKCISA-N	2	1	513.602	2.002	1	30		KEEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997077	561833366	/nfs/dbraw/zinc/83/33/66/561833366.db2.gz	RSABICNTONREJS-WAKHXKBOSA-N	2	1	615.779	2.149	1	30		KEEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997086	561833438	/nfs/dbraw/zinc/83/34/38/561833438.db2.gz	RSABICNTONREJS-QYDYLWNGSA-N	2	1	615.779	2.149	1	30		KEEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997092	561833432	/nfs/dbraw/zinc/83/34/32/561833432.db2.gz	RSABICNTONREJS-CKIYMEHHSA-N	2	1	615.779	2.149	1	30		KEEFMP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2)C(=O)CCC(=O)N1CCCCC1	ZINC000026997099	561833423	/nfs/dbraw/zinc/83/34/23/561833423.db2.gz	RSABICNTONREJS-XHWIWGEHSA-N	2	1	615.779	2.149	1	30		KEEFMP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1csc([C@@H]([NH3+])Cc2ccc(F)cc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000029392184	562017682	/nfs/dbraw/zinc/01/76/82/562017682.db2.gz	SXCUCSIDGFMRKY-DZUOILHNSA-N	2	1	721.904	2.345	1	30		KEEFMP
CCCC[C@H](NCc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12	ZINC000049898731	562692795	/nfs/dbraw/zinc/69/27/95/562692795.db2.gz	NYAQJRPYLFETNX-QJANCWQKSA-N	2	1	675.879	2.105	1	30		KEEFMP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000049942307	562695434	/nfs/dbraw/zinc/69/54/34/562695434.db2.gz	AIVKUJJDLDHLNN-WLPVSNDTSA-N	2	1	734.877	2.171	1	30		KEEFMP
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@@H](CCCNC(N)=[NH2+])C1=O	ZINC000049942308	562695470	/nfs/dbraw/zinc/69/54/70/562695470.db2.gz	AIVKUJJDLDHLNN-NWJWHWDBSA-N	2	1	734.877	2.171	1	30		KEEFMP
C[C@H]1[C@H](O)CC[C@H]2C[C@@H](CC[C@H]3C#CC[C@@H]4C[C@](C)(CC[NH2+]4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC[N@@H+]12	ZINC000085488031	560075843	/nfs/dbraw/zinc/07/58/43/560075843.db2.gz	OBCAXVHZOCWMOQ-IYHKDOSGSA-N	2	1	547.781	2.499	1	30	biogenic,in-vitro	KEEFMP
C[NH2+]C[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1)C[C@@H]1C#CC[C@H]2C[C@](C)(CCN2)[NH2+]C[C@](O)(CC(=O)[O-])CCCC1	ZINC000085488072	560075819	/nfs/dbraw/zinc/07/58/19/560075819.db2.gz	JVLGLDKYOFLQDX-LRCYTAKESA-N	2	1	534.786	2.384	1	30	biogenic,in-vitro	KEEFMP
CNC(=[NH2+])NC[C@]1([C@H](C)O)C#C[C@H]2CCC[C@]3(C[NH2+]C)C[C@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627915	565160749	/nfs/dbraw/zinc/16/07/49/565160749.db2.gz	DPWLVVPWJZHFCW-GHIHAZMUSA-N	3	1	627.827	2.031	1	30	biogenic,in-vitro	KEEFMP
CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2(C#CC[C@@H]1Cc1ccc(O)c(OC3CC[NH2+]CC3)c1)CC[N@@H+]1C[C@@H]3C[C@@H](CN(C3)C[NH+]=C(N)NC2)C1	ZINC000085628052	565161155	/nfs/dbraw/zinc/16/11/55/565161155.db2.gz	FFUQPWVGRFNWMM-UTRGKCJISA-N	3	1	650.865	2.267	1	30	biogenic,in-vitro	KEEFMP
COc1cc(C[C@H]2CC#C[C@]3(CC[C@H](O)C[C@@H]2OC(C)=O)CC[N@@H+]2C[C@@H]4C[C@@H](CN(C4)C[NH+]=C(N)NC3)C2)ccc1O	ZINC000085628220	560068730	/nfs/dbraw/zinc/06/87/30/560068730.db2.gz	IOLVBAGNZBINHB-LKNNUPOISA-N	2	1	581.758	2.145	1	30	biogenic,in-vitro	KEEFMP
C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CC[NH+](C)C)ccc2S1(=O)=O	ZINC000095600321	562778796	/nfs/dbraw/zinc/77/87/96/562778796.db2.gz	OJORFHMACFRWQB-NOMHHCBYSA-N	2	1	543.686	2.229	1	30		KEEFMP
C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CC[NH+](C)C)ccc2S1(=O)=O	ZINC000095604610	562781107	/nfs/dbraw/zinc/78/11/07/562781107.db2.gz	OJORFHMACFRWQB-PBDKAQRYSA-N	2	1	543.686	2.229	1	30		KEEFMP
C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CC[NH+](C)C)cc2C1=O	ZINC000061922327	562703352	/nfs/dbraw/zinc/70/33/52/562703352.db2.gz	BVQTVABWCISGQV-GOHWNWGWSA-N	2	1	508.619	2.076	3	30		KEEFMP