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-])c1ccc(COc2ccccc2/C=N/c2ccc([O-])cc2)cc1	ZINC000001098579	258048905	/nfs/dbraw/zinc/04/89/05/258048905.db2.gz	LBPVSXRXMOJLGJ-LPYMAVHISA-N	-2	3	347.370	4.420	50	30		EIEAHL
O=C([O-])c1ccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)cc1	ZINC000013638593	563705971	/nfs/dbraw/zinc/70/59/71/563705971.db2.gz	LRXFKEUZIPSQTJ-SRZZPIQSSA-N	-2	3	335.359	4.466	50	30		EIEAHL
Cc1ccn2c(c1)nc(-c1ccccc1[O-])c2/N=C/c1ccccc1[O-]	ZINC000035616515	564129178	/nfs/dbraw/zinc/12/91/78/564129178.db2.gz	BVWBNKZUSMCXDL-LPYMAVHISA-N	-2	3	343.386	4.472	50	30		EIEAHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Cl)ccc2[O-])cc1	ZINC000004699600	563964818	/nfs/dbraw/zinc/96/48/18/563964818.db2.gz	KEJKKPROIVMIRV-GIJQJNRQSA-N	-2	3	344.827	4.157	50	30		EIEAHL
CCCc1ccc([O-])c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000004676581	210244335	/nfs/dbraw/zinc/24/43/35/210244335.db2.gz	AFZHIIVDJMBDOM-GIJQJNRQSA-N	-2	3	334.759	4.363	50	30		EIEAHL
[O-]c1ccccc1/C=N/c1c(-c2ccccc2[O-])nc2ccccn21	ZINC000012374327	211359066	/nfs/dbraw/zinc/35/90/66/211359066.db2.gz	ZFPITAYKNXYMIX-FYJGNVAPSA-N	-2	3	329.359	4.163	50	30		EIEAHL
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cc(-c3ccccc3)ccc2[O-])c1	ZINC000000243497	563989226	/nfs/dbraw/zinc/98/92/26/563989226.db2.gz	ZZYZQVRRSRNKND-UDWIEESQSA-N	-2	3	334.331	4.424	50	30		EIEAHL
[O-]C1=CC(c2ccc(Cl)cc2)C=C([O-])C1c1nc2ccccc2[nH]1	ZINC000009287718	211061819	/nfs/dbraw/zinc/06/18/19/211061819.db2.gz	ZGWKOCLXGFHRMA-UHFFFAOYSA-N	-2	3	338.794	4.105	50	30		EIEAHL
Cc1ccc(N=Cc2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c([O-])c1	ZINC000252635190	564124584	/nfs/dbraw/zinc/12/45/84/564124584.db2.gz	WUVOJFUZOALKBD-UHFFFAOYSA-N	-2	3	334.759	4.335	50	30		EIEAHL
Cc1ccc([O-])c(C(=O)/C=C/c2cc(Br)ccc2[O-])c1	ZINC000004393129	210187065	/nfs/dbraw/zinc/18/70/65/210187065.db2.gz	GGKAFLBCINZISW-ZZXKWVIFSA-N	-2	3	333.181	4.065	50	30		EIEAHL
[O-]c1ccc(Cl)cc1C=Nc1cc(Br)ccc1[O-]	ZINC000252603940	564121228	/nfs/dbraw/zinc/12/12/28/564121228.db2.gz	FVBSNXICXWGVBV-UHFFFAOYSA-N	-2	3	326.577	4.264	50	30		EIEAHL
[O-]c1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001243939	563381385	/nfs/dbraw/zinc/38/13/85/563381385.db2.gz	LZVRAPDGMBUQQD-UDWIEESQSA-N	-2	3	346.415	4.349	50	30		EIEAHL
C=CCc1cccc(/C=N/c2cc(Br)ccc2[O-])c1[O-]	ZINC000013126836	563689590	/nfs/dbraw/zinc/68/95/90/563689590.db2.gz	AVBMFCOVWKTUBV-VCHYOVAHSA-N	-2	3	332.197	4.339	50	30		EIEAHL
C=CCc1cccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1[O-]	ZINC000006492914	519140753	/nfs/dbraw/zinc/14/07/53/519140753.db2.gz	LTSZEEOAFOURPH-XDHOZWIPSA-N	-2	3	342.468	4.305	50	30		EIEAHL
CCCc1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])c1	ZINC000001924036	564090260	/nfs/dbraw/zinc/09/02/60/564090260.db2.gz	HBJBSSYSCMUQFR-YBFXNURJSA-N	-2	3	344.367	4.108	50	30		EIEAHL
CCCCCCCCCCCCCCN(CC(=O)[O-])CC(=O)[O-]	ZINC000100071599	219089667	/nfs/dbraw/zinc/08/96/67/219089667.db2.gz	QBMLQEIGUIOGBP-UHFFFAOYSA-N	-2	3	329.481	4.159	50	30		EIEAHL
O=C(Nc1ccc(/N=C/c2ccccc2[O-])cc1)c1ccccc1[O-]	ZINC000000072678	563215798	/nfs/dbraw/zinc/21/57/98/563215798.db2.gz	OSVAVBWOKHPJJG-FYJGNVAPSA-N	-2	3	332.359	4.101	50	30		EIEAHL
O=C([O-])c1ccc(/N=C\c2c3c(ccc2[O-])oc2c3CCCC2)cc1	ZINC000005196774	564000322	/nfs/dbraw/zinc/00/03/22/564000322.db2.gz	LRXFKEUZIPSQTJ-NHDPSOOVSA-N	-2	3	335.359	4.466	50	30		EIEAHL