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\c1cc(Cl)cc(Cl)c1[O-])c1cccc([O-])c1	ZINC000005808901	181285575	/nfs/dbraw/zinc/28/55/75/181285575.db2.gz	NPRDILNAKUALDB-PLNGDYQASA-N	-2	3	309.148	4.301	40	30		DIEBHL
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc2ccccc2c1[O-]	ZINC000409180929	257221366	/nfs/dbraw/zinc/22/13/66/257221366.db2.gz	VABWDZHADJJJTQ-RGVLZGJSSA-N	-2	3	305.333	4.303	40	30		DIEBHL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccccc2[O-])o1	ZINC000408962226	257225171	/nfs/dbraw/zinc/22/51/71/257225171.db2.gz	RBZJXIXYJXGBQR-JAIQZWGSSA-N	-2	3	321.332	4.409	40	30		DIEBHL
O=C(/C=C/c1cc(Cl)cc(Cl)c1[O-])c1cccc([O-])c1	ZINC000016957585	182066728	/nfs/dbraw/zinc/06/67/28/182066728.db2.gz	NPRDILNAKUALDB-SNAWJCMRSA-N	-2	3	309.148	4.301	40	30		DIEBHL
O=C1C(=Cc2ccc([O-])c(Cl)c2)CCC1=C([O-])C(F)(F)F	ZINC000408562783	257229724	/nfs/dbraw/zinc/22/97/24/257229724.db2.gz	CEIYXEUYGODRIP-GKPGWJKISA-N	-2	3	318.678	4.166	40	30		DIEBHL
CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-]	ZINC000101460677	563557782	/nfs/dbraw/zinc/55/77/82/563557782.db2.gz	SLWJJVVGGBWJFQ-UHFFFAOYSA-N	-2	3	319.854	4.148	40	30		DIEBHL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1[O-]	ZINC000006592724	181358854	/nfs/dbraw/zinc/35/88/54/181358854.db2.gz	NTXHMWPTSWKUBL-UDWIEESQSA-N	-2	3	320.348	4.080	40	30		DIEBHL
[O-]/N=C(\CCC/C(=N/[O-])c1ccc(F)cc1)c1ccc(F)cc1	ZINC000100514293	256563960	/nfs/dbraw/zinc/56/39/60/256563960.db2.gz	LKCRVSJZLQAMSA-ARHRGINZSA-N	-2	3	318.323	4.192	40	30		DIEBHL
Cc1cc([O-])c(C(C)C)cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001665703	563290101	/nfs/dbraw/zinc/29/01/01/563290101.db2.gz	ROSPJCSOKYZZKR-GIJQJNRQSA-N	-2	3	314.341	4.188	40	30		DIEBHL
CCCCCCCCCCC(=O)C(=O)c1ccc([O-])cc1[O-]	ZINC000001563306	568412146	/nfs/dbraw/zinc/41/21/46/568412146.db2.gz	PVDXAIKBCAWQJZ-UHFFFAOYSA-N	-2	3	306.402	4.380	40	30		DIEBHL
Cc1ccc(-c2ccc(/C=N/c3ccc([O-])cc3)o2)cc1C(=O)[O-]	ZINC000408850315	257226287	/nfs/dbraw/zinc/22/62/87/257226287.db2.gz	LEQNPIUDHTZYQV-RGVLZGJSSA-N	-2	3	321.332	4.409	40	30		DIEBHL
CC(C)(C)c1ccc([O-])c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000013548824	563660589	/nfs/dbraw/zinc/66/05/89/563660589.db2.gz	TVYDDNMELVAGPH-VCHYOVAHSA-N	-2	3	314.341	4.054	40	30		DIEBHL
CC(C)=CCc1c([O-])ccc(C(=O)/C=C\c2ccc(O)cc2)c1[O-]	ZINC000031539629	519444565	/nfs/dbraw/zinc/44/45/65/519444565.db2.gz	DUWPGRAKHMEPCM-WDZFZDKYSA-N	-2	3	324.376	4.208	40	30		DIEBHL
CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)cc2)c([O-])cc1[O-]	ZINC000005854640	181290043	/nfs/dbraw/zinc/29/00/43/181290043.db2.gz	BLZGPHNVMRXDCB-UXBLZVDNSA-N	-2	3	324.376	4.208	40	30	biogenic,in-vitro	DIEBHL
O=C([O-])c1ccc([O-])c(/C=N/c2cccc(Cl)c2Cl)c1	ZINC000001435293	563283483	/nfs/dbraw/zinc/28/34/83/563283483.db2.gz	BLGRHRKAYFLKJJ-REZTVBANSA-N	-2	3	310.136	4.148	40	30		DIEBHL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2cccc([O-])c2)o1	ZINC000408959526	257225336	/nfs/dbraw/zinc/22/53/36/257225336.db2.gz	AJAYXYZDRHRULD-JAIQZWGSSA-N	-2	3	321.332	4.409	40	30		DIEBHL
CC(C)(C)c1ccc([O-])c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000000345209	563607335	/nfs/dbraw/zinc/60/73/35/563607335.db2.gz	DKAWSFZJBGSFOS-VCHYOVAHSA-N	-2	3	314.341	4.054	40	30		DIEBHL
CC[C@H](C)c1ccc([O-])c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000013548817	563660303	/nfs/dbraw/zinc/66/03/03/563660303.db2.gz	FVDIWTPNMYNBKW-HPAYWCODSA-N	-2	3	314.341	4.270	40	30		DIEBHL
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000013548814	563660335	/nfs/dbraw/zinc/66/03/35/563660335.db2.gz	FVDIWTPNMYNBKW-VDCVXVNISA-N	-2	3	314.341	4.270	40	30		DIEBHL
Cc1cc(C(=O)[O-])ccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000000345503	563607424	/nfs/dbraw/zinc/60/74/24/563607424.db2.gz	HCGGUBXKKWXERU-RGVLZGJSSA-N	-2	3	305.333	4.303	40	30		DIEBHL
CC(C)(C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c([O-])c1	ZINC000005726734	181277214	/nfs/dbraw/zinc/27/72/14/181277214.db2.gz	DMJCLBUUEWHLAA-VCHYOVAHSA-N	-2	3	314.341	4.054	40	30		DIEBHL
CCCCCCCCCCS(=O)(=O)[N-]c1ccccc1[O-]	ZINC000100921916	563554103	/nfs/dbraw/zinc/55/41/03/563554103.db2.gz	JAUCCNJQSITIMU-UHFFFAOYSA-N	-2	3	313.463	4.275	40	30		DIEBHL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc([O-])cc2)o1	ZINC000408961956	257225179	/nfs/dbraw/zinc/22/51/79/257225179.db2.gz	VZHQZFCHAAYLSI-RGVLZGJSSA-N	-2	3	321.332	4.409	40	30		DIEBHL
CCCCCCCCCC(=O)C(=O)c1ccc([O-])c(C)c1[O-]	ZINC000001563295	568412152	/nfs/dbraw/zinc/41/21/52/568412152.db2.gz	ZVGSUPBEOIKYOP-UHFFFAOYSA-N	-2	3	306.402	4.299	40	30		DIEBHL