smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCC#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1	ZINC000011843692	263368109	/nfs/dbraw/zinc/36/81/09/263368109.db2.gz	ITCWPVURSTZXIR-DEOSSOPVSA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1	ZINC000011843692	263368113	/nfs/dbraw/zinc/36/81/13/263368113.db2.gz	ITCWPVURSTZXIR-DEOSSOPVSA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1	ZINC000011843692	263368116	/nfs/dbraw/zinc/36/81/16/263368116.db2.gz	ITCWPVURSTZXIR-DEOSSOPVSA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1	ZINC000011843692	263368117	/nfs/dbraw/zinc/36/81/17/263368117.db2.gz	ITCWPVURSTZXIR-DEOSSOPVSA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1	ZINC000011843693	263368470	/nfs/dbraw/zinc/36/84/70/263368470.db2.gz	ITCWPVURSTZXIR-XMMPIXPASA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1	ZINC000011843693	263368473	/nfs/dbraw/zinc/36/84/73/263368473.db2.gz	ITCWPVURSTZXIR-XMMPIXPASA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1	ZINC000011843693	263368475	/nfs/dbraw/zinc/36/84/75/263368475.db2.gz	ITCWPVURSTZXIR-XMMPIXPASA-N	2	1	366.549	3.509	10	30		FHEEMP
OCCC#Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1	ZINC000011843693	263368477	/nfs/dbraw/zinc/36/84/77/263368477.db2.gz	ITCWPVURSTZXIR-XMMPIXPASA-N	2	1	366.549	3.509	10	30		FHEEMP
CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000020917826	519720275	/nfs/dbraw/zinc/72/02/75/519720275.db2.gz	UVUUZUOHBJZOTQ-UHFFFAOYSA-N	2	1	362.583	3.670	10	30		FHEEMP
C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C[NH+](C)C)cn1	ZINC000072421006	571053554	/nfs/dbraw/zinc/05/35/54/571053554.db2.gz	IUSRHYWCYRVQHP-HBMCJLEFSA-N	2	1	355.526	3.755	10	30		FHEEMP
C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C[NH+](C)C)cn1	ZINC000072421007	571053810	/nfs/dbraw/zinc/05/38/10/571053810.db2.gz	IUSRHYWCYRVQHP-QHAWAJNXSA-N	2	1	355.526	3.755	10	30		FHEEMP