smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(N2CC[C@@H]3c4c(N)[nH+]c(N)nc4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801952	581096115	/nfs/dbraw/zinc/09/61/15/581096115.db2.gz	DUKSWTDASFETGZ-PWSUYJOCSA-N	1	2	386.456	1.702	1	10		GDCFLO
COc1cc(N2CC[C@@H]3c4c(N)nc(N)[nH+]c4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801952	581096116	/nfs/dbraw/zinc/09/61/16/581096116.db2.gz	DUKSWTDASFETGZ-PWSUYJOCSA-N	1	2	386.456	1.702	1	10		GDCFLO
CC[NH+](CC)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O	ZINC000013727949	204508757	/nfs/dbraw/zinc/50/87/57/204508757.db2.gz	AHXRHPBYCUUMIS-UHFFFAOYSA-N	1	2	388.467	1.307	1	10		GDCFLO
COc1cc(N2CC[C@H]3c4c(N)[nH+]c(N)nc4NC[C@H]3C2)cc(OC)c1OC	ZINC000013762712	581096204	/nfs/dbraw/zinc/09/62/04/581096204.db2.gz	DUKSWTDASFETGZ-CMPLNLGQSA-N	1	2	386.456	1.702	1	10		GDCFLO
COc1cc(N2CC[C@H]3c4c(N)nc(N)[nH+]c4NC[C@H]3C2)cc(OC)c1OC	ZINC000013762712	581096205	/nfs/dbraw/zinc/09/62/05/581096205.db2.gz	DUKSWTDASFETGZ-CMPLNLGQSA-N	1	2	386.456	1.702	1	10		GDCFLO
COc1cc(N2CC[C@H]3c4c(N)[nH+]c(N)nc4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801953	581096175	/nfs/dbraw/zinc/09/61/75/581096175.db2.gz	DUKSWTDASFETGZ-ZYHUDNBSSA-N	1	2	386.456	1.702	1	10		GDCFLO
COc1cc(N2CC[C@H]3c4c(N)nc(N)[nH+]c4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801953	581096176	/nfs/dbraw/zinc/09/61/76/581096176.db2.gz	DUKSWTDASFETGZ-ZYHUDNBSSA-N	1	2	386.456	1.702	1	10		GDCFLO
C[NH2+][C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1CO)C3=O	ZINC000085486897	291108687	/nfs/dbraw/zinc/10/86/87/291108687.db2.gz	PLBZUPDLWADFLF-GFCCVEGCSA-N	1	2	397.383	1.583	1	10	biogenic,in-vitro	GDCFLO
COc1cc(N2CC[C@@H]3c4c(N)[nH+]c(N)nc4NC[C@H]3C2)cc(OC)c1OC	ZINC000013762713	221288481	/nfs/dbraw/zinc/28/84/81/221288481.db2.gz	DUKSWTDASFETGZ-JQWIXIFHSA-N	1	2	386.456	1.702	1	10		GDCFLO
COc1cc(N2CC[C@@H]3c4c(N)nc(N)[nH+]c4NC[C@H]3C2)cc(OC)c1OC	ZINC000013762713	221288482	/nfs/dbraw/zinc/28/84/82/221288482.db2.gz	DUKSWTDASFETGZ-JQWIXIFHSA-N	1	2	386.456	1.702	1	10		GDCFLO