smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1	ZINC000229957752	542891621	/nfs/dbraw/zinc/89/16/21/542891621.db2.gz	VQTGMRNKIKUBTB-FUHWJXTLSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1	ZINC000229957752	542891625	/nfs/dbraw/zinc/89/16/25/542891625.db2.gz	VQTGMRNKIKUBTB-FUHWJXTLSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1	ZINC000229957752	542891626	/nfs/dbraw/zinc/89/16/26/542891626.db2.gz	VQTGMRNKIKUBTB-FUHWJXTLSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1	ZINC000229957752	542891630	/nfs/dbraw/zinc/89/16/30/542891630.db2.gz	VQTGMRNKIKUBTB-FUHWJXTLSA-N	2	2	315.461	2.604	30	0		DFACLP
OC1CC[NH+](C2CCN(c3[nH+]ccc4ccccc43)CC2)CC1	ZINC000095518923	185376670	/nfs/dbraw/zinc/37/66/70/185376670.db2.gz	IMYGRMVAYGBRRA-UHFFFAOYSA-N	2	2	311.429	2.660	30	0		DFACLP
CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3ccsc32)CC1	ZINC000089977302	185273135	/nfs/dbraw/zinc/27/31/35/185273135.db2.gz	GGTLLBULRPHMSU-CYBMUJFWSA-N	2	2	304.463	2.734	30	0		DFACLP
Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)oc1C	ZINC000065538545	184362980	/nfs/dbraw/zinc/36/29/80/184362980.db2.gz	HCIPWHMWLXXDLR-HNNXBMFYSA-N	2	2	300.406	2.929	30	0		DFACLP
Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)oc1C	ZINC000065538545	184362982	/nfs/dbraw/zinc/36/29/82/184362982.db2.gz	HCIPWHMWLXXDLR-HNNXBMFYSA-N	2	2	300.406	2.929	30	0		DFACLP
Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)oc1C	ZINC000065538548	184363384	/nfs/dbraw/zinc/36/33/84/184363384.db2.gz	HCIPWHMWLXXDLR-OAHLLOKOSA-N	2	2	300.406	2.929	30	0		DFACLP
Cc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)oc1C	ZINC000065538548	184363385	/nfs/dbraw/zinc/36/33/85/184363385.db2.gz	HCIPWHMWLXXDLR-OAHLLOKOSA-N	2	2	300.406	2.929	30	0		DFACLP
Cc1cc(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)c[nH+]c1N	ZINC000072167695	191067028	/nfs/dbraw/zinc/06/70/28/191067028.db2.gz	RFNQLBAPNAHMCY-UHFFFAOYSA-N	2	2	322.416	2.679	30	0		DFACLP
Cc1cc(N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cc[nH+]1	ZINC000091486467	193062690	/nfs/dbraw/zinc/06/26/90/193062690.db2.gz	HVLLXKABRSFYDI-UHFFFAOYSA-N	2	2	311.433	2.822	30	0		DFACLP
CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3ccsc32)CC1	ZINC000089977301	185273189	/nfs/dbraw/zinc/27/31/89/185273189.db2.gz	GGTLLBULRPHMSU-ZDUSSCGKSA-N	2	2	304.463	2.734	30	0		DFACLP
Cc1cccn2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cnc12	ZINC000093866065	193320900	/nfs/dbraw/zinc/32/09/00/193320900.db2.gz	XBJTZVPLQCBHRM-KRWDZBQOSA-N	2	2	308.385	2.691	30	0		DFACLP
Cc1cccn2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cnc12	ZINC000093866065	193320902	/nfs/dbraw/zinc/32/09/02/193320902.db2.gz	XBJTZVPLQCBHRM-KRWDZBQOSA-N	2	2	308.385	2.691	30	0		DFACLP
Cc1cccn2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc12	ZINC000093866066	193320819	/nfs/dbraw/zinc/32/08/19/193320819.db2.gz	XBJTZVPLQCBHRM-QGZVFWFLSA-N	2	2	308.385	2.691	30	0		DFACLP
Cc1cccn2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc12	ZINC000093866066	193320820	/nfs/dbraw/zinc/32/08/20/193320820.db2.gz	XBJTZVPLQCBHRM-QGZVFWFLSA-N	2	2	308.385	2.691	30	0		DFACLP
C(=C\c1ccccc1)\C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1	ZINC000096834562	185389169	/nfs/dbraw/zinc/38/91/69/185389169.db2.gz	IICCIGVIPMETET-DAXSKMNVSA-N	2	2	319.412	2.793	30	0		DFACLP
CCc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1	ZINC000229957767	542891752	/nfs/dbraw/zinc/89/17/52/542891752.db2.gz	VQTGMRNKIKUBTB-WMZOPIPTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1	ZINC000229957767	542891754	/nfs/dbraw/zinc/89/17/54/542891754.db2.gz	VQTGMRNKIKUBTB-WMZOPIPTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1	ZINC000229957767	542891758	/nfs/dbraw/zinc/89/17/58/542891758.db2.gz	VQTGMRNKIKUBTB-WMZOPIPTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1	ZINC000229957767	542891760	/nfs/dbraw/zinc/89/17/60/542891760.db2.gz	VQTGMRNKIKUBTB-WMZOPIPTSA-N	2	2	315.461	2.604	30	0		DFACLP
COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818337	425913762	/nfs/dbraw/zinc/91/37/62/425913762.db2.gz	XYDNVPKFLXSAHT-SFHVURJKSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818337	425913763	/nfs/dbraw/zinc/91/37/63/425913763.db2.gz	XYDNVPKFLXSAHT-SFHVURJKSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818337	425913764	/nfs/dbraw/zinc/91/37/64/425913764.db2.gz	XYDNVPKFLXSAHT-SFHVURJKSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818337	425913765	/nfs/dbraw/zinc/91/37/65/425913765.db2.gz	XYDNVPKFLXSAHT-SFHVURJKSA-N	2	2	324.415	2.899	30	0		DFACLP
Nc1cc2cc(-c3cc(F)cc4c3O[C@@H](C[NH3+])C4)ccc2c[nH+]1	ZINC000067774526	274953429	/nfs/dbraw/zinc/95/34/29/274953429.db2.gz	OVZIUUOTHOIXES-OAHLLOKOSA-N	2	2	309.344	2.885	30	0		DFACLP
Nc1cc2cc(-c3cc(F)cc4c3O[C@H](C[NH3+])C4)ccc2c[nH+]1	ZINC000067774524	274950212	/nfs/dbraw/zinc/95/02/12/274950212.db2.gz	OVZIUUOTHOIXES-HNNXBMFYSA-N	2	2	309.344	2.885	30	0		DFACLP
CCc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1	ZINC000089289531	542528357	/nfs/dbraw/zinc/52/83/57/542528357.db2.gz	VQTGMRNKIKUBTB-AEFFLSMTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1	ZINC000089289531	542528361	/nfs/dbraw/zinc/52/83/61/542528361.db2.gz	VQTGMRNKIKUBTB-AEFFLSMTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1	ZINC000089289531	542528364	/nfs/dbraw/zinc/52/83/64/542528364.db2.gz	VQTGMRNKIKUBTB-AEFFLSMTSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1	ZINC000089289531	542528368	/nfs/dbraw/zinc/52/83/68/542528368.db2.gz	VQTGMRNKIKUBTB-AEFFLSMTSA-N	2	2	315.461	2.604	30	0		DFACLP
COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818339	425913656	/nfs/dbraw/zinc/91/36/56/425913656.db2.gz	XYDNVPKFLXSAHT-GOSISDBHSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818339	425913657	/nfs/dbraw/zinc/91/36/57/425913657.db2.gz	XYDNVPKFLXSAHT-GOSISDBHSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818339	425913658	/nfs/dbraw/zinc/91/36/58/425913658.db2.gz	XYDNVPKFLXSAHT-GOSISDBHSA-N	2	2	324.415	2.899	30	0		DFACLP
COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1	ZINC000067818339	425913659	/nfs/dbraw/zinc/91/36/59/425913659.db2.gz	XYDNVPKFLXSAHT-GOSISDBHSA-N	2	2	324.415	2.899	30	0		DFACLP
CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1	ZINC000089289530	542529009	/nfs/dbraw/zinc/52/90/09/542529009.db2.gz	VQTGMRNKIKUBTB-SJLPKXTDSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1	ZINC000089289530	542529011	/nfs/dbraw/zinc/52/90/11/542529011.db2.gz	VQTGMRNKIKUBTB-SJLPKXTDSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1	ZINC000089289530	542529013	/nfs/dbraw/zinc/52/90/13/542529013.db2.gz	VQTGMRNKIKUBTB-SJLPKXTDSA-N	2	2	315.461	2.604	30	0		DFACLP
CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1	ZINC000089289530	542529015	/nfs/dbraw/zinc/52/90/15/542529015.db2.gz	VQTGMRNKIKUBTB-SJLPKXTDSA-N	2	2	315.461	2.604	30	0		DFACLP
Fc1ccc2oc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c1	ZINC000089807268	542532866	/nfs/dbraw/zinc/53/28/66/542532866.db2.gz	RZTMHEQCSWKKFJ-UHFFFAOYSA-N	2	2	312.348	2.684	30	0		DFACLP