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([O-])c1cccc(OCCCc2ccccc2)c1C(=O)[O-]	ZINC000059966564	184143319	/nfs/dbraw/zinc/14/33/19/184143319.db2.gz	PQIAMNJYVYKNIZ-UHFFFAOYSA-N	-2	0	300.310	3.095	1	0		DGAFRL
O=C([O-])c1c2c(ccc1C[C@H](Cc1ccccc1)C(=O)[O-])CCC2	ZINC000006575210	181356528	/nfs/dbraw/zinc/35/65/28/181356528.db2.gz	KXCRPZPXYNKGOM-INIZCTEOSA-N	-2	0	324.376	3.360	1	0		DGAFRL
O=C([O-])c1ccc2c(c1)[nH]c1c2CCc2cc(C(=O)[O-])c(O)cc2-1	ZINC000040834001	183140090	/nfs/dbraw/zinc/14/00/90/183140090.db2.gz	JXRDZBFBDJKCBF-UHFFFAOYSA-N	-2	0	323.304	3.036	1	0		DGAFRL
C[C@@H]1C[C@H](C(=O)[O-])C[C@@H]2C=C[C@H](C)[C@H](/C=C/C=C/C(=O)[O-])[C@@H]12	ZINC000095918879	560054823	/nfs/dbraw/zinc/05/48/23/560054823.db2.gz	CTZUNMXSKIMIEE-CJRORAMZSA-N	-2	0	304.386	3.369	1	0	biogenic,in-vitro	DGAFRL
O=C([O-])c1cc2c(cc1C[C@@H](Cc1ccccc1)C(=O)[O-])CCC2	ZINC000001646090	180883228	/nfs/dbraw/zinc/88/32/28/180883228.db2.gz	UNHANYSHVHZMDL-QGZVFWFLSA-N	-2	0	324.376	3.360	1	0		DGAFRL
CCCCOC(=O)N=c1[n-]nc(-c2ccc(C(=O)[O-])cc2)s1	ZINC000084689912	192456647	/nfs/dbraw/zinc/45/66/47/192456647.db2.gz	GLVYEAAMGIIWQC-UHFFFAOYSA-N	-2	0	321.358	3.252	1	0		DGAFRL
C=Cc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066103370	184389646	/nfs/dbraw/zinc/38/96/46/184389646.db2.gz	LZPBSOIZYNQALY-UHFFFAOYSA-N	-2	0	313.315	3.048	1	0		DGAFRL
O=C([O-])c1cc2c(cc1C[C@H](Cc1ccccc1)C(=O)[O-])CCC2	ZINC000006575209	181356151	/nfs/dbraw/zinc/35/61/51/181356151.db2.gz	UNHANYSHVHZMDL-KRWDZBQOSA-N	-2	0	324.376	3.360	1	0		DGAFRL
CC(C)Cc1sc(Cl)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066103375	184389793	/nfs/dbraw/zinc/38/97/93/184389793.db2.gz	SKZQHCHFWMLIRC-UHFFFAOYSA-N	-2	0	321.722	3.058	1	0		DGAFRL
Cc1ccc(C[C@@H](Cc2ccccc2C)C(=O)[O-])c(C(=O)[O-])c1	ZINC000001646083	180883724	/nfs/dbraw/zinc/88/37/24/180883724.db2.gz	POVNCUGONRRCTM-MRXNPFEDSA-N	-2	0	312.365	3.488	1	0		DGAFRL
Cc1cccc(C[C@H](Cc2ccc(C)cc2C(=O)[O-])C(=O)[O-])c1	ZINC000006491063	181344859	/nfs/dbraw/zinc/34/48/59/181344859.db2.gz	UORQVXASCFXXRA-MRXNPFEDSA-N	-2	0	312.365	3.488	1	0		DGAFRL
O=C([O-])CN(C(=O)c1cc(Cl)ccc1[S-])C1CCCC1	ZINC000026989514	182460651	/nfs/dbraw/zinc/46/06/51/182460651.db2.gz	LWDQWWDKLSPGNO-UHFFFAOYSA-N	-2	0	313.806	3.098	1	0		DGAFRL
Cc1cccc(C[C@@H](Cc2c(C)cccc2C(=O)[O-])C(=O)[O-])c1	ZINC000006491059	181345089	/nfs/dbraw/zinc/34/50/89/181345089.db2.gz	ICZRJOLIWLCKTE-HNNXBMFYSA-N	-2	0	312.365	3.488	1	0		DGAFRL
Cc1ccc(C[C@H](Cc2ccccc2C)C(=O)[O-])c(C(=O)[O-])c1	ZINC000006484978	181344881	/nfs/dbraw/zinc/34/48/81/181344881.db2.gz	POVNCUGONRRCTM-INIZCTEOSA-N	-2	0	312.365	3.488	1	0		DGAFRL
Cc1cc(CSCc2cc(C(=O)[O-])c(C)o2)oc1C(=O)[O-]	ZINC000040392035	183059984	/nfs/dbraw/zinc/05/99/84/183059984.db2.gz	POQZXAHVKZSJGD-UHFFFAOYSA-N	-2	0	310.327	3.319	1	0		DGAFRL
Cc1ccc(C[C@@H](Cc2ccc(C)cc2C(=O)[O-])C(=O)[O-])cc1	ZINC000006487143	181344816	/nfs/dbraw/zinc/34/48/16/181344816.db2.gz	YUWPPKJINGFRLR-INIZCTEOSA-N	-2	0	312.365	3.488	1	0		DGAFRL