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(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)[N-]1	ZINC000100806332	402142471	/nfs/dbraw/zinc/14/24/71/402142471.db2.gz	ZMZZZTDKYPNUNC-UHFFFAOYSA-N	-2	3	301.323	2.088	50	30		DEEAHL
CCc1nnc(NC(=O)c2c([O-])[n-]c3ccccc3c2=O)s1	ZINC000018168220	182095940	/nfs/dbraw/zinc/09/59/40/182095940.db2.gz	ALLVXBMXDQPJSI-UHFFFAOYSA-N	-2	3	316.342	2.284	50	30		DEEAHL
C=CCn1c([O-])c([C@@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000020150100	182192106	/nfs/dbraw/zinc/19/21/06/182192106.db2.gz	QJOYVMIBYWOGJW-CYBMUJFWSA-N	-2	3	315.398	2.033	50	30		DEEAHL
CCOc1cc(/C=N/[O-])cc(Br)c1OCC(=O)[O-]	ZINC000002101813	401712176	/nfs/dbraw/zinc/71/21/76/401712176.db2.gz	SQHQOZTTXOHLNA-WLRTZDKTSA-N	-2	3	318.123	2.119	50	30		DEEAHL
CCCOc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c([O-])c1	ZINC000606346899	360997621	/nfs/dbraw/zinc/99/76/21/360997621.db2.gz	YOHMZCXEBKKAEQ-UHFFFAOYSA-N	-2	3	302.334	2.431	50	30		DEEAHL
O=C([O-])c1ccccc1NC1=CC(=O)c2c([O-])cccc2C1=O	ZINC000101086425	402143805	/nfs/dbraw/zinc/14/38/05/402143805.db2.gz	GJCKCQRHMNIWGO-UHFFFAOYSA-N	-2	3	309.277	2.465	50	30		DEEAHL
O=c1[n-]c(NN=Cc2ccccc2[O-])nnc1-c1ccccc1	ZINC000004158751	181079879	/nfs/dbraw/zinc/07/98/79/181079879.db2.gz	MLDYFLBWMPPUJA-LICLKQGHSA-N	-2	3	307.313	2.396	50	30		DEEAHL
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3[nH]2)c([O-])cc1[O-]	ZINC000027499104	401846071	/nfs/dbraw/zinc/84/60/71/401846071.db2.gz	XEZBAUXNVJCZGE-VIZOYTHASA-N	-2	3	313.273	2.328	50	30		DEEAHL
[O-]c1cc(O)ccc1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000004587307	181127302	/nfs/dbraw/zinc/12/73/02/181127302.db2.gz	ZDHSYHSEPCFVOE-CAOOACKPSA-N	-2	3	320.312	2.363	50	30		DEEAHL
C=CCn1c([O-])c([C@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000020150101	182192549	/nfs/dbraw/zinc/19/25/49/182192549.db2.gz	QJOYVMIBYWOGJW-ZDUSSCGKSA-N	-2	3	315.398	2.033	50	30		DEEAHL
O=c1[n-]c(NN=Cc2ccccc2[O-])nnc1Cc1ccccc1	ZINC000009042570	401758769	/nfs/dbraw/zinc/75/87/69/401758769.db2.gz	VHSWDIKYADFCEV-WOJGMQOQSA-N	-2	3	321.340	2.320	50	30		DEEAHL
CCCCCCCc1c([O-])nc(SCC(=O)[O-])[n-]c1=O	ZINC000002334497	401713491	/nfs/dbraw/zinc/71/34/91/401713491.db2.gz	WQIDDWISUCSMER-UHFFFAOYSA-N	-3	3	300.380	2.165	50	30		DEEAHL
CCOc1cc(C=N[O-])cc(Br)c1OCC(=O)[O-]	ZINC000252628437	402659643	/nfs/dbraw/zinc/65/96/43/402659643.db2.gz	SQHQOZTTXOHLNA-UHFFFAOYSA-N	-2	3	318.123	2.119	50	30		DEEAHL
C/C(=N/Cc1cccc(Cl)c1)c1c([O-])[n-]c(=O)sc1=O	ZINC000230138433	356283881	/nfs/dbraw/zinc/28/38/81/356283881.db2.gz	ZQMVLIQCLMCDFL-CHHVJCJISA-N	-2	3	310.762	2.165	50	30		DEEAHL
C/C(=N\Cc1cccc(Cl)c1)c1c([O-])[n-]c(=O)sc1=O	ZINC000225331691	257274423	/nfs/dbraw/zinc/27/44/23/257274423.db2.gz	ZQMVLIQCLMCDFL-VIZOYTHASA-N	-2	3	310.762	2.165	50	30		DEEAHL
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)c([O-])c1O	ZINC000003909050	181056718	/nfs/dbraw/zinc/05/67/18/181056718.db2.gz	GJPJUKYQGUSUOO-PXNMLYILSA-N	-2	3	302.286	2.338	50	30		DEEAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(C#N)cc1	ZINC000019907735	182163288	/nfs/dbraw/zinc/16/32/88/182163288.db2.gz	JKBUKNMZEJJTIQ-UHFFFAOYSA-N	-2	3	309.329	2.213	50	30		DEEAHL
[O-]c1cc(O)ccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000001303388	401705217	/nfs/dbraw/zinc/70/52/17/401705217.db2.gz	ABCKMQFBVZBWHS-VGOFMYFVSA-N	-2	3	302.315	2.494	50	30		DEEAHL
[O-]c1csc(NN=Cc2cc(Cl)cc(Cl)c2[O-])n1	ZINC000005648910	181268092	/nfs/dbraw/zinc/26/80/92/181268092.db2.gz	BBFZNAMYBDLSGK-QLKAYGNNSA-N	-2	3	304.158	2.252	50	30		DEEAHL