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(C=C([O-])c1ccc(Cl)cc1Cl)c1ccccc1[O-]	ZINC000113704356	563584239	/nfs/dbraw/zinc/58/42/39/563584239.db2.gz	LEQAUOVHGFRVAA-UHFFFAOYSA-N	-2	3	309.148	4.155	40	0		DIABHL
[O-]c1cc2ccccc2cc1-c1n[n-]c(=S)n1Cc1ccco1	ZINC000013123824	563657378	/nfs/dbraw/zinc/65/73/78/563657378.db2.gz	UHTWFKVVFKCPHS-UHFFFAOYSA-N	-2	3	323.377	4.108	40	0		DIABHL
CC(C)=CCCC(C)=CCCC(C)C(=O)CP(=O)([O-])[O-]	ZINC000113210649	563927595	/nfs/dbraw/zinc/92/75/95/563927595.db2.gz	ACBOJOPFHNLMLX-JIIHXHDGSA-N	-2	3	302.351	4.469	40	0		DIABHL
CC(C)=CCCC(C)=CCCC(C)C(=O)CP(=O)([O-])[O-]	ZINC000113210647	563927591	/nfs/dbraw/zinc/92/75/91/563927591.db2.gz	ACBOJOPFHNLMLX-WISUYLHISA-N	-2	3	302.351	4.469	40	0		DIABHL
CC(C)=CCc1cc2c(=O)cc(-c3ccc([O-])cc3)oc2cc1[O-]	ZINC000015115129	563918721	/nfs/dbraw/zinc/91/87/21/563918721.db2.gz	HJGURBGBPIKRER-UHFFFAOYSA-N	-2	3	322.360	4.380	40	0	biogenic,in-vitro	DIABHL
CC(C)=CCCC(C)=CCCC(C)C(=O)CP(=O)([O-])[O-]	ZINC000113210651	563927533	/nfs/dbraw/zinc/92/75/33/563927533.db2.gz	ACBOJOPFHNLMLX-BBXOWAOSSA-N	-2	3	302.351	4.469	40	0		DIABHL
CCc1ccc([O-])c(C(=O)C=C([O-])c2ccc(Cl)cc2)c1	ZINC000100344488	563527548	/nfs/dbraw/zinc/52/75/48/563527548.db2.gz	MMODSOIJHZFRTG-UHFFFAOYSA-N	-2	3	302.757	4.064	40	0		DIABHL
CC(C)=CCCC(C)=CCCC(C)C(=O)CP(=O)([O-])[O-]	ZINC000113210645	563927468	/nfs/dbraw/zinc/92/74/68/563927468.db2.gz	ACBOJOPFHNLMLX-UEJBEBQQSA-N	-2	3	302.351	4.469	40	0		DIABHL
CC(C)=CCc1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000015115144	563407787	/nfs/dbraw/zinc/40/77/87/563407787.db2.gz	NQKCBBHHFITUFF-UHFFFAOYSA-N	-2	3	322.360	4.380	40	0	biogenic,in-vitro	DIABHL
O=C(C=C([O-])c1ccc(Cl)c(Cl)c1)c1ccccc1[O-]	ZINC000113704378	563584029	/nfs/dbraw/zinc/58/40/29/563584029.db2.gz	NSAIEBLEYABZDC-UHFFFAOYSA-N	-2	3	309.148	4.155	40	0		DIABHL