smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1	ZINC000218608259	569458817	/nfs/dbraw/zinc/45/88/17/569458817.db2.gz	ASZWJANLOPPDCO-INIZCTEOSA-N	-1	0	433.534	2.167	50	70		IEIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)cn1	ZINC000217973444	569455523	/nfs/dbraw/zinc/45/55/23/569455523.db2.gz	BHGZPJYOGVCYFH-UHFFFAOYSA-N	-1	0	449.540	2.491	50	70		IEIARM
CCN1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(OC)c(OC)c2OC)CC1	ZINC000218523696	557205483	/nfs/dbraw/zinc/20/54/83/557205483.db2.gz	WYRYBVOYFQEDCI-OAHLLOKOSA-N	-1	0	433.534	2.249	50	70		IEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cccc(OCC(N)=O)c1	ZINC000217977291	569455576	/nfs/dbraw/zinc/45/55/76/569455576.db2.gz	ZXXFSZFIBNSSGV-CQSZACIVSA-N	-1	0	437.404	2.315	50	70	biogenic	IEIARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1	ZINC000218293275	568741478	/nfs/dbraw/zinc/74/14/78/568741478.db2.gz	VEPJEZYXWPSSBM-QGZVFWFLSA-N	-1	0	428.470	2.482	50	70		IEIARM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)N1CC(N2C(=O)CSC2=O)C1	ZINC000217744404	569452544	/nfs/dbraw/zinc/45/25/44/569452544.db2.gz	YRDXZZFGPTXRPD-UHFFFAOYSA-N	-1	0	449.485	2.146	50	70		IEIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cccc(OCC(N)=O)c1	ZINC000217977229	569455556	/nfs/dbraw/zinc/45/55/56/569455556.db2.gz	ZXXFSZFIBNSSGV-AWEZNQCLSA-N	-1	0	437.404	2.315	50	70	biogenic	IEIARM
CCN1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(OC)c(OC)c2OC)CC1	ZINC000218523769	557205889	/nfs/dbraw/zinc/20/58/89/557205889.db2.gz	WYRYBVOYFQEDCI-HNNXBMFYSA-N	-1	0	433.534	2.249	50	70		IEIARM
COc1cc(OC)c(OC)c([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)c1	ZINC000218608344	569458797	/nfs/dbraw/zinc/45/87/97/569458797.db2.gz	ASZWJANLOPPDCO-MRXNPFEDSA-N	-1	0	433.534	2.167	50	70		IEIARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3COc4ccccc4O3)c2)cc1	ZINC000218293323	568741408	/nfs/dbraw/zinc/74/14/08/568741408.db2.gz	VEPJEZYXWPSSBM-KRWDZBQOSA-N	-1	0	428.470	2.482	50	70		IEIARM