smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1nc(N=NCc2cc(I)cc(I)c2[O-])nc(N2CCOCC2)n1	ZINC000008872864	553174267	/nfs/dbraw/zinc/17/42/67/553174267.db2.gz	NWCDZLKYSOBLNV-DJKKODMXSA-N	-1	3	595.183	2.135	40	30		KEEBHM
COc1cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c(Br)c(Br)c1[O-]	ZINC000097948473	553794111	/nfs/dbraw/zinc/79/41/11/553794111.db2.gz	PSLZSIXTPPFJSA-SSDVNMTOSA-N	-1	3	573.246	2.230	40	30		KEEBHM
O=c1c(/C=N/[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12	ZINC000097984251	554015049	/nfs/dbraw/zinc/01/50/49/554015049.db2.gz	RJDUHPLORSXCMM-OEAKJJBVSA-N	-1	3	549.554	2.042	40	30		KEEBHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100955106	554538936	/nfs/dbraw/zinc/53/89/36/554538936.db2.gz	LGGWIFCVDQIBES-ZWCGCWBASA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100955106	554538933	/nfs/dbraw/zinc/53/89/33/554538933.db2.gz	LGGWIFCVDQIBES-ZWCGCWBASA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100955108	554538952	/nfs/dbraw/zinc/53/89/52/554538952.db2.gz	LGGWIFCVDQIBES-VQJUMFNWSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000100955108	554538948	/nfs/dbraw/zinc/53/89/48/554538948.db2.gz	LGGWIFCVDQIBES-VQJUMFNWSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100955111	554538879	/nfs/dbraw/zinc/53/88/79/554538879.db2.gz	LGGWIFCVDQIBES-NIIPVMAPSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100955111	554538878	/nfs/dbraw/zinc/53/88/78/554538878.db2.gz	LGGWIFCVDQIBES-NIIPVMAPSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100955112	554539169	/nfs/dbraw/zinc/53/91/69/554539169.db2.gz	LGGWIFCVDQIBES-CMFRFWNJSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000100955112	554539166	/nfs/dbraw/zinc/53/91/66/554539166.db2.gz	LGGWIFCVDQIBES-CMFRFWNJSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257345345	572320388	/nfs/dbraw/zinc/32/03/88/572320388.db2.gz	LGGWIFCVDQIBES-RFIYUTENSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257345345	572320387	/nfs/dbraw/zinc/32/03/87/572320387.db2.gz	LGGWIFCVDQIBES-RFIYUTENSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(/C(=N\O)c3ccccc3)c([O-])c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257345346	572320391	/nfs/dbraw/zinc/32/03/91/572320391.db2.gz	LGGWIFCVDQIBES-RRXMLEIMSA-N	-1	3	559.524	2.081	40	30		KEEBHM
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(/C(=N\[O-])c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000257345346	572320390	/nfs/dbraw/zinc/32/03/90/572320390.db2.gz	LGGWIFCVDQIBES-RRXMLEIMSA-N	-1	3	559.524	2.081	40	30		KEEBHM
COc1c([O-])ccc(CN=Nc2nc3nonc3nc2Nc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000408721196	1066389416	/nfs/dbraw/zinc/38/94/16/1066389416.db2.gz	MAWVPEXKXQGAFF-ZBKNUEDVSA-N	-1	3	501.257	2.431	40	30		KEEBHM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c([O-])cc1O	ZINC000408958874	1066210663	/nfs/dbraw/zinc/21/06/63/1066210663.db2.gz	XFKKQWBFUASCLM-ADHNYVKFSA-N	-1	3	626.404	2.223	40	30		KEEBHM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c([O-])cc1O	ZINC000408958875	1066396081	/nfs/dbraw/zinc/39/60/81/1066396081.db2.gz	XFKKQWBFUASCLM-BKYYFFAYSA-N	-1	3	626.404	2.223	40	30		KEEBHM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c([O-])cc1O	ZINC000408958876	1066395992	/nfs/dbraw/zinc/39/59/92/1066395992.db2.gz	XFKKQWBFUASCLM-ISVMPSLRSA-N	-1	3	626.404	2.223	40	30		KEEBHM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c([O-])cc1O	ZINC000408958877	1066396288	/nfs/dbraw/zinc/39/62/88/1066396288.db2.gz	XFKKQWBFUASCLM-XEDHFCPRSA-N	-1	3	626.404	2.223	40	30		KEEBHM