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)[C@H](O)[C@](C)(O)Cc1ccc2c(c1[O-])C(=O)c1cccc(O)c1C2=O	ZINC000095563309	211276610	/nfs/dbraw/zinc/27/66/10/211276610.db2.gz	ZYQOVKOJTPQPJC-AZUAARDMSA-N	-1	3	386.356	0.701	1	10		GCCFHM
C[NH2+]Cc1c([O-])c2c(cc1OC)C(=O)c1cc(OC)c([O-])c(C(O)O)c1C2=O	ZINC000085486902	291100916	/nfs/dbraw/zinc/10/09/16/291100916.db2.gz	DJXQVIAODJYDNW-UHFFFAOYSA-N	-1	3	389.360	0.593	1	10	biogenic,in-vitro	GCCFHM
COC(=O)[C@@H](O)[C@@](C)(O)Cc1ccc2c(c1[O-])C(=O)c1cccc(O)c1C2=O	ZINC000095563308	211276782	/nfs/dbraw/zinc/27/67/82/211276782.db2.gz	ZYQOVKOJTPQPJC-QUCCMNQESA-N	-1	3	386.356	0.701	1	10		GCCFHM
COC(=O)[C@@H](O)[C@](C)(O)Cc1ccc2c(c1[O-])C(=O)c1cccc(O)c1C2=O	ZINC000095563307	208233244	/nfs/dbraw/zinc/23/32/44/208233244.db2.gz	ZYQOVKOJTPQPJC-UYAOXDASSA-N	-1	3	386.356	0.701	1	10		GCCFHM
CC(C)[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(=O)[O-]	ZINC000096933364	208329825	/nfs/dbraw/zinc/32/98/25/208329825.db2.gz	FCEITKJSSNBTFX-BSJXLVFVSA-N	-1	3	381.397	0.295	1	10		GCCFHM
CC(C)[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(=O)[O-]	ZINC000096933365	208330322	/nfs/dbraw/zinc/33/03/22/208330322.db2.gz	FCEITKJSSNBTFX-QCZKYFFMSA-N	-1	3	381.397	0.295	1	10		GCCFHM
Cn1c2nc3sc4c(n3c2c(=O)n(C)c1=O)C(=O)c1c(O)ccc([O-])c1C4=O	ZINC000001642059	212252613	/nfs/dbraw/zinc/25/26/13/212252613.db2.gz	IVLUYKYLSSTXDK-UHFFFAOYSA-N	-1	3	398.356	0.133	1	10		GCCFHM
Cn1c2nc3sc4c(n3c2c(=O)n(C)c1=O)C(=O)c1c([O-])ccc(O)c1C4=O	ZINC000001642059	212252616	/nfs/dbraw/zinc/25/26/16/212252616.db2.gz	IVLUYKYLSSTXDK-UHFFFAOYSA-N	-1	3	398.356	0.133	1	10		GCCFHM
COC(=O)[C@H](O)[C@@](C)(O)Cc1ccc2c(c1[O-])C(=O)c1cccc(O)c1C2=O	ZINC000095563310	222355872	/nfs/dbraw/zinc/35/58/72/222355872.db2.gz	ZYQOVKOJTPQPJC-ICSRJNTNSA-N	-1	3	386.356	0.701	1	10		GCCFHM