smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1	ZINC000058107502	568886491	/nfs/dbraw/zinc/88/64/91/568886491.db2.gz	QESVVLKQRILESX-UHFFFAOYSA-N	2	2	410.518	3.265	50	30		HGEALP
COc1cc(C[N@@H+]2CCc3c(cnc(C)c3C#N)C2)ccc1OCC[NH+]1CCCC1	ZINC000055107729	569379402	/nfs/dbraw/zinc/37/94/02/569379402.db2.gz	CCHRVFMTHZEODJ-UHFFFAOYSA-N	2	2	406.530	3.303	50	30		HGEALP
COc1cc(C[N@H+]2CCc3c(cnc(C)c3C#N)C2)ccc1OCC[NH+]1CCCC1	ZINC000055107729	569379403	/nfs/dbraw/zinc/37/94/03/569379403.db2.gz	CCHRVFMTHZEODJ-UHFFFAOYSA-N	2	2	406.530	3.303	50	30		HGEALP
C=CC[NH+]1CCN(C(=O)c2c(C)oc3c2C[N@H+](Cc2ccc(OC)cc2)CC3)CC1	ZINC000065289725	569218076	/nfs/dbraw/zinc/21/80/76/569218076.db2.gz	NJOPDRHQRDQCNG-UHFFFAOYSA-N	2	2	409.530	3.099	50	30		HGEALP
C=CC[NH+]1CCN(C(=O)c2c(C)oc3c2C[N@@H+](Cc2ccc(OC)cc2)CC3)CC1	ZINC000065289725	569218077	/nfs/dbraw/zinc/21/80/77/569218077.db2.gz	NJOPDRHQRDQCNG-UHFFFAOYSA-N	2	2	409.530	3.099	50	30		HGEALP
C[NH+](C)CCNc1nc(N2CCCCC2)c(C#N)c2c1C[N@H+](Cc1ccccc1)CC2	ZINC000013749968	558863252	/nfs/dbraw/zinc/86/32/52/558863252.db2.gz	PXUZISCAVRDABY-UHFFFAOYSA-N	2	2	418.589	3.475	50	30		HGEALP
C[NH+](C)CCNc1nc(N2CCCCC2)c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2	ZINC000013749968	558863256	/nfs/dbraw/zinc/86/32/56/558863256.db2.gz	PXUZISCAVRDABY-UHFFFAOYSA-N	2	2	418.589	3.475	50	30		HGEALP
C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)cc1	ZINC000055119418	518358257	/nfs/dbraw/zinc/35/82/57/518358257.db2.gz	JDVXYDXADAHSOV-UHFFFAOYSA-N	2	2	416.569	3.056	50	30		HGEALP
C=CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1	ZINC000034682373	518863800	/nfs/dbraw/zinc/86/38/00/518863800.db2.gz	RAHMNGLSVNPOIJ-UHFFFAOYSA-N	2	2	422.548	3.092	50	30		HGEALP
C=CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC	ZINC000004670805	568862536	/nfs/dbraw/zinc/86/25/36/568862536.db2.gz	AVADRRLRZGBMPD-UHFFFAOYSA-N	2	2	413.356	3.225	50	30		HGEALP
Cc1cc(C)nc(NC(=[NH2+])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1	ZINC000019921326	558307206	/nfs/dbraw/zinc/30/72/06/558307206.db2.gz	WECRAELOTDVYDK-UHFFFAOYSA-N	2	2	400.530	3.447	50	30		HGEALP
NC(=[NH+]OCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCCCC1	ZINC000058161082	558905335	/nfs/dbraw/zinc/90/53/35/558905335.db2.gz	YLWHBSICGWISET-UHFFFAOYSA-N	2	2	402.445	3.226	50	30		HGEALP
C[N@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000095459848	568620012	/nfs/dbraw/zinc/62/00/12/568620012.db2.gz	SIIYICYOVUFWNM-UHFFFAOYSA-N	2	2	404.514	3.284	50	30		HGEALP
C[N@@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCOc2cccc(C#N)c2)CC1	ZINC000095459848	568620014	/nfs/dbraw/zinc/62/00/14/568620014.db2.gz	SIIYICYOVUFWNM-UHFFFAOYSA-N	2	2	404.514	3.284	50	30		HGEALP