smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1c(F)cccc1Cl)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096310002	557776994	/nfs/dbraw/zinc/77/69/94/557776994.db2.gz	KKLPGAXSCKIGBM-QHCPKHFHSA-N	0	1	441.938	4.266	10	30		IIEEMN
O=C(Cc1c(F)cccc1Cl)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096310001	527197834	/nfs/dbraw/zinc/19/78/34/527197834.db2.gz	KKLPGAXSCKIGBM-HSZRJFAPSA-N	0	1	441.938	4.266	10	30		IIEEMN
COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccccc3OC)C(=O)c3ccccc32)cc1	ZINC000008974409	562966409	/nfs/dbraw/zinc/96/64/09/562966409.db2.gz	MPYKIZWLSFLHOT-YYADALCUSA-N	0	1	448.500	4.074	10	30		IIEEMN
CCOC(=O)[C@H]1CCC[N@@H+](Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586346	521297396	/nfs/dbraw/zinc/29/73/96/521297396.db2.gz	WDINQMWAMRXRIJ-VUQQOUJSSA-N	0	1	427.522	4.153	10	30		IIEEMN
CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1	ZINC000008974366	562966437	/nfs/dbraw/zinc/96/64/37/562966437.db2.gz	CROXSUJZMYJLQH-XTCLZLMSSA-N	0	1	448.500	4.161	10	30		IIEEMN
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccs2)O3)C1	ZINC000041586345	521114747	/nfs/dbraw/zinc/11/47/47/521114747.db2.gz	WDINQMWAMRXRIJ-MXDDHBLUSA-N	0	1	427.522	4.153	10	30		IIEEMN
Cn1c2ccccc2s/c1=N\N=C\c1cc(Br)cc(Br)c1O	ZINC000097964072	527118357	/nfs/dbraw/zinc/11/83/57/527118357.db2.gz	NDCGPHQZVGGXIY-KISROBOPSA-N	0	1	441.148	4.405	10	30		IIEEMN
Oc1c(Br)cc(Cl)cc1C=NNC(=Nc1ccccn1)c1ccccn1	ZINC000027475202	569214064	/nfs/dbraw/zinc/21/40/64/569214064.db2.gz	GWZCAMCKWNRPJF-FOKLQQMPSA-N	0	1	430.693	4.300	10	30		IIEEMN
Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)n1	ZINC000100146874	569588192	/nfs/dbraw/zinc/58/81/92/569588192.db2.gz	MNPQLGGQSMPYGY-CIAFOILYSA-N	0	1	431.315	4.099	10	30		IIEEMN