smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000060368352	507532741	/nfs/dbraw/zinc/53/27/41/507532741.db2.gz	FIQVYRVGVWGEFB-HDICACEKSA-N	2	1	357.498	2.758	50	30		FFEAMP
C=CC[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012090389	263369405	/nfs/dbraw/zinc/36/94/05/263369405.db2.gz	WYMRBIBPXAHLLP-IBGZPJMESA-N	2	1	362.514	2.975	50	30		FFEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C(C)C)c(OC)c1	ZINC000011840640	263368132	/nfs/dbraw/zinc/36/81/32/263368132.db2.gz	WHGRGPPPHFGQCH-GOSISDBHSA-N	2	1	350.503	2.783	50	30		FFEAMP
C=C(C)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1	ZINC000011840640	263368135	/nfs/dbraw/zinc/36/81/35/263368135.db2.gz	WHGRGPPPHFGQCH-GOSISDBHSA-N	2	1	350.503	2.783	50	30		FFEAMP
C=C(C)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000011840640	263368137	/nfs/dbraw/zinc/36/81/37/263368137.db2.gz	WHGRGPPPHFGQCH-GOSISDBHSA-N	2	1	350.503	2.783	50	30		FFEAMP
C=CCc1cc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)cc(OC)c1OC	ZINC000067773667	205002076	/nfs/dbraw/zinc/00/20/76/205002076.db2.gz	ZVIFGUHBNWTDBV-UHFFFAOYSA-N	2	1	373.541	2.644	50	30		FFEAMP
C=CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000015079088	518684477	/nfs/dbraw/zinc/68/44/77/518684477.db2.gz	ABGZZNMOGQBHMD-IBGZPJMESA-N	2	1	373.541	2.874	50	30		FFEAMP
C=CC[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012090395	263368762	/nfs/dbraw/zinc/36/87/62/263368762.db2.gz	WYMRBIBPXAHLLP-LJQANCHMSA-N	2	1	362.514	2.975	50	30		FFEAMP
N#Cc1c(N)n[nH]c1CCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000012506712	263370561	/nfs/dbraw/zinc/37/05/61/263370561.db2.gz	ZZUCHPVRDPPABS-UHFFFAOYSA-N	2	1	366.513	2.831	50	30		FFEAMP
C=CC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000095506519	508192042	/nfs/dbraw/zinc/19/20/42/508192042.db2.gz	HMRKERYWQXIOMA-LJQANCHMSA-N	2	1	362.514	2.929	50	30		FFEAMP
C=CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000014968205	507008606	/nfs/dbraw/zinc/00/86/06/507008606.db2.gz	QSQSPOVIWSDMJZ-HXUWFJFHSA-N	2	1	367.537	2.632	50	30		FFEAMP
C=C(C)COc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1OCC	ZINC000823364515	999027850	/nfs/dbraw/zinc/02/78/50/999027850.db2.gz	AOMJTPWFPNVIRK-UHFFFAOYSA-N	2	1	360.498	2.995	50	30		FFEAMP
C=C(C)COc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1OCC	ZINC000823364515	999027852	/nfs/dbraw/zinc/02/78/52/999027852.db2.gz	AOMJTPWFPNVIRK-UHFFFAOYSA-N	2	1	360.498	2.995	50	30		FFEAMP
C=CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	ZINC000014968209	210146026	/nfs/dbraw/zinc/14/60/26/210146026.db2.gz	QSQSPOVIWSDMJZ-FQEVSTJZSA-N	2	1	367.537	2.632	50	30		FFEAMP
C=CCc1cc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)cc(OCC)c1O	ZINC000067982556	221311814	/nfs/dbraw/zinc/31/18/14/221311814.db2.gz	TVZGLEOWEKWXOC-UHFFFAOYSA-N	2	1	373.541	2.731	50	30		FFEAMP
C=CC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1	ZINC000012597572	518953025	/nfs/dbraw/zinc/95/30/25/518953025.db2.gz	KGSHYXDLPHBWAC-FQEVSTJZSA-N	2	1	370.493	2.843	50	30		FFEAMP
C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000015067035	1021786693	/nfs/dbraw/zinc/78/66/93/1021786693.db2.gz	JZYPXWRJOYNOPW-HXUWFJFHSA-N	2	1	355.526	2.708	50	30		FFEAMP
C=CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000015067035	1021786703	/nfs/dbraw/zinc/78/67/03/1021786703.db2.gz	JZYPXWRJOYNOPW-HXUWFJFHSA-N	2	1	355.526	2.708	50	30		FFEAMP
C=CC[NH+](CC=C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012718881	1014938517	/nfs/dbraw/zinc/93/85/17/1014938517.db2.gz	MFADZKBPIPDQPH-IBGZPJMESA-N	2	1	362.514	2.949	50	30		FFEAMP
COc1ccc([C@@H](CNC(=[NH2+])NCc2ccco2)[NH+]2CCCCC2)cc1	ZINC000058171475	507377970	/nfs/dbraw/zinc/37/79/70/507377970.db2.gz	ODDSUPTXDNUFPO-LJQANCHMSA-N	2	1	356.470	2.920	50	30		FFEAMP
C=CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1	ZINC000015079087	518684252	/nfs/dbraw/zinc/68/42/52/518684252.db2.gz	ABGZZNMOGQBHMD-LJQANCHMSA-N	2	1	373.541	2.874	50	30		FFEAMP
N#Cc1ccccc1CN1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000055120511	205207752	/nfs/dbraw/zinc/20/77/52/205207752.db2.gz	AUCDWFZOTQLYNR-FCHUYYIVSA-N	2	1	352.526	2.940	50	30		FFEAMP
N#Cc1ccccc1CN1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1	ZINC000055120511	205207756	/nfs/dbraw/zinc/20/77/56/205207756.db2.gz	AUCDWFZOTQLYNR-FCHUYYIVSA-N	2	1	352.526	2.940	50	30		FFEAMP
C[NH+](C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)ccc1O	ZINC000071747846	507710991	/nfs/dbraw/zinc/71/09/91/507710991.db2.gz	MWFZRQPEGBXABM-WMLDXEAASA-N	2	1	363.465	2.661	50	30		FFEAMP
C[NH+](C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)ccc1O	ZINC000071747846	507710992	/nfs/dbraw/zinc/71/09/92/507710992.db2.gz	MWFZRQPEGBXABM-WMLDXEAASA-N	2	1	363.465	2.661	50	30		FFEAMP
C[NH+]1CCC(c2c(C#N)c(N)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1	ZINC000072128272	507753055	/nfs/dbraw/zinc/75/30/55/507753055.db2.gz	IREMSYOUFXEQLU-UHFFFAOYSA-N	2	1	361.493	2.903	50	30		FFEAMP
C[NH+]1CCC(c2c(C#N)c(N)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1	ZINC000072128272	507753063	/nfs/dbraw/zinc/75/30/63/507753063.db2.gz	IREMSYOUFXEQLU-UHFFFAOYSA-N	2	1	361.493	2.903	50	30		FFEAMP
C=CC[NH+](CC=C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012718882	1014938240	/nfs/dbraw/zinc/93/82/40/1014938240.db2.gz	MFADZKBPIPDQPH-LJQANCHMSA-N	2	1	362.514	2.949	50	30		FFEAMP
C#CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000014957960	518262573	/nfs/dbraw/zinc/26/25/73/518262573.db2.gz	OLXFFISAHXINJZ-LJQANCHMSA-N	2	1	371.525	2.826	50	30		FFEAMP
N#CC1(NC(=O)[C@@H]2CCn3cncc3C2)CCN(Cc2ccccc2)CC1	ZINC000329250237	512013334	/nfs/dbraw/zinc/01/33/34/512013334.db2.gz	UEHIXXRKJUXROC-GOSISDBHSA-N	2	1	363.465	2.960	50	30		FFEAMP
CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1	ZINC000095501822	209063240	/nfs/dbraw/zinc/06/32/40/209063240.db2.gz	FBFVKHXRBGGPOW-UHFFFAOYSA-N	2	1	368.525	2.715	50	30		FFEAMP
N#CC1(NC(=O)[C@H]2CCn3cncc3C2)CCN(Cc2ccccc2)CC1	ZINC000329250238	512013453	/nfs/dbraw/zinc/01/34/53/512013453.db2.gz	UEHIXXRKJUXROC-SFHVURJKSA-N	2	1	363.465	2.960	50	30		FFEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C(C)C)c(OC)c1	ZINC000011840638	263368292	/nfs/dbraw/zinc/36/82/92/263368292.db2.gz	WHGRGPPPHFGQCH-SFHVURJKSA-N	2	1	350.503	2.783	50	30		FFEAMP
C=C(C)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1	ZINC000011840638	263368294	/nfs/dbraw/zinc/36/82/94/263368294.db2.gz	WHGRGPPPHFGQCH-SFHVURJKSA-N	2	1	350.503	2.783	50	30		FFEAMP
C=C(C)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000011840638	263368297	/nfs/dbraw/zinc/36/82/97/263368297.db2.gz	WHGRGPPPHFGQCH-SFHVURJKSA-N	2	1	350.503	2.783	50	30		FFEAMP
COc1ccc([C@H](CNC(=[NH2+])NCc2ccco2)[NH+]2CCCCC2)cc1	ZINC000058171476	507378751	/nfs/dbraw/zinc/37/87/51/507378751.db2.gz	ODDSUPTXDNUFPO-IBGZPJMESA-N	2	1	356.470	2.920	50	30		FFEAMP
C#CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000014957964	518262223	/nfs/dbraw/zinc/26/22/23/518262223.db2.gz	OLXFFISAHXINJZ-IBGZPJMESA-N	2	1	371.525	2.826	50	30		FFEAMP
C=CCC[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)Oc1ccnc(OC)c1C#N	ZINC000067974224	507072635	/nfs/dbraw/zinc/07/26/35/507072635.db2.gz	KJZJRRICLVSRDP-KRWDZBQOSA-N	2	1	358.486	2.701	50	30		FFEAMP
C=CCC[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)Oc1ccnc(OC)c1C#N	ZINC000067974224	507072640	/nfs/dbraw/zinc/07/26/40/507072640.db2.gz	KJZJRRICLVSRDP-KRWDZBQOSA-N	2	1	358.486	2.701	50	30		FFEAMP
C=CC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1	ZINC000012597575	518953651	/nfs/dbraw/zinc/95/36/51/518953651.db2.gz	KGSHYXDLPHBWAC-HXUWFJFHSA-N	2	1	370.493	2.843	50	30		FFEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCC2)c1	ZINC000095497427	508189458	/nfs/dbraw/zinc/18/94/58/508189458.db2.gz	VCFHMKOGZUYBSL-LJQANCHMSA-N	2	1	362.514	2.929	50	30		FFEAMP
C=CC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1	ZINC000095506520	508191798	/nfs/dbraw/zinc/19/17/98/508191798.db2.gz	HMRKERYWQXIOMA-IBGZPJMESA-N	2	1	362.514	2.929	50	30		FFEAMP
C=CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000015067037	1021786555	/nfs/dbraw/zinc/78/65/55/1021786555.db2.gz	JZYPXWRJOYNOPW-FQEVSTJZSA-N	2	1	355.526	2.708	50	30		FFEAMP
C=CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1	ZINC000015067037	1021786567	/nfs/dbraw/zinc/78/65/67/1021786567.db2.gz	JZYPXWRJOYNOPW-FQEVSTJZSA-N	2	1	355.526	2.708	50	30		FFEAMP
C=CCC[C@H](C[N@H+](C)C1CC[NH+](C)CC1)Oc1ccnc(OC)c1C#N	ZINC000067974223	221310741	/nfs/dbraw/zinc/31/07/41/221310741.db2.gz	KJZJRRICLVSRDP-QGZVFWFLSA-N	2	1	358.486	2.701	50	30		FFEAMP
C=CCC[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)Oc1ccnc(OC)c1C#N	ZINC000067974223	221310743	/nfs/dbraw/zinc/31/07/43/221310743.db2.gz	KJZJRRICLVSRDP-QGZVFWFLSA-N	2	1	358.486	2.701	50	30		FFEAMP
C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCC2)c1	ZINC000095497428	508189980	/nfs/dbraw/zinc/18/99/80/508189980.db2.gz	VCFHMKOGZUYBSL-IBGZPJMESA-N	2	1	362.514	2.929	50	30		FFEAMP
CC1(C#N)CC[NH+](Cc2cccc(OCCC[NH+]3CCOCC3)c2)CC1	ZINC000216053445	509254740	/nfs/dbraw/zinc/25/47/40/509254740.db2.gz	WMEBJLSEBNHXKB-UHFFFAOYSA-N	2	1	357.498	2.913	50	30		FFEAMP