smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972766	722157734	/nfs/dbraw/zinc/15/77/34/722157734.db2.gz	JLTCWDJJHZAWHI-SJLPKXTDSA-N	1	2	464.519	1.649	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972766	722157735	/nfs/dbraw/zinc/15/77/35/722157735.db2.gz	JLTCWDJJHZAWHI-SJLPKXTDSA-N	1	2	464.519	1.649	20	70		JDIDLO
Cc1cc(S(=O)(=O)F)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1	ZINC001164835663	720484417	/nfs/dbraw/zinc/48/44/17/720484417.db2.gz	ZPERKLOFUNDAAL-INIZCTEOSA-N	1	2	453.540	1.234	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972763	722158421	/nfs/dbraw/zinc/15/84/21/722158421.db2.gz	JLTCWDJJHZAWHI-FUHWJXTLSA-N	1	2	464.519	1.649	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972763	722158424	/nfs/dbraw/zinc/15/84/24/722158424.db2.gz	JLTCWDJJHZAWHI-FUHWJXTLSA-N	1	2	464.519	1.649	20	70		JDIDLO
Cc1cc(S(=O)(=O)F)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1	ZINC001164835665	720483828	/nfs/dbraw/zinc/48/38/28/720483828.db2.gz	ZPERKLOFUNDAAL-MRXNPFEDSA-N	1	2	453.540	1.234	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972769	722158410	/nfs/dbraw/zinc/15/84/10/722158410.db2.gz	JLTCWDJJHZAWHI-WMZOPIPTSA-N	1	2	464.519	1.649	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972769	722158413	/nfs/dbraw/zinc/15/84/13/722158413.db2.gz	JLTCWDJJHZAWHI-WMZOPIPTSA-N	1	2	464.519	1.649	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972760	722158185	/nfs/dbraw/zinc/15/81/85/722158185.db2.gz	JLTCWDJJHZAWHI-AEFFLSMTSA-N	1	2	464.519	1.649	20	70		JDIDLO
COC(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164972760	722158189	/nfs/dbraw/zinc/15/81/89/722158189.db2.gz	JLTCWDJJHZAWHI-AEFFLSMTSA-N	1	2	464.519	1.649	20	70		JDIDLO