smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(NN[C@H](C#N)c2c([O-])ccc3ccccc32)n1	ZINC000017219221	182080291	/nfs/dbraw/zinc/08/02/91/182080291.db2.gz	BITKFFANZCHSPD-CYBMUJFWSA-N	-2	3	321.340	2.119	40	30		DEEBHL
[S-][C@H]1N=C(c2ccco2)N2[C@@H]([S-])N=C(c3ccccc3)N12	ZINC000056672374	402090060	/nfs/dbraw/zinc/09/00/60/402090060.db2.gz	HEROLBALBGCVHZ-KBPBESRZSA-N	-2	3	316.411	2.446	40	30		DEEBHL
O=C([O-])C[C@H]1C(=O)[N-]/C(=N/c2ccccc2)N1c1ccccc1	ZINC000002710417	304082260	/nfs/dbraw/zinc/08/22/60/304082260.db2.gz	MFPOLKCSPLVQCJ-AWEZNQCLSA-N	-2	3	309.325	2.154	40	30		DEEBHL
COc1ccc(/C=C/C(=O)c2c([O-])cc(O)cc2[O-])cc1O	ZINC000071255860	402271347	/nfs/dbraw/zinc/27/13/47/402271347.db2.gz	CMFGBLHCLKLQIG-DUXPYHPUSA-N	-2	3	302.282	2.414	40	30		DEEBHL
N#CC(=NNc1cccc([O-])c1)c1nc2ccccc2c(=O)[n-]1	ZINC000016525162	182048352	/nfs/dbraw/zinc/04/83/52/182048352.db2.gz	IOAMFZGUZGRFHK-KGENOOAVSA-N	-2	3	305.297	2.381	40	30		DEEBHL
[S-][C@@H]1N=C(c2ccco2)N2[C@H]([S-])N=C(c3ccccc3)N12	ZINC000056672373	402090118	/nfs/dbraw/zinc/09/01/18/402090118.db2.gz	HEROLBALBGCVHZ-ZIAGYGMSSA-N	-2	3	316.411	2.446	40	30		DEEBHL
Cc1cc(=O)[n-]c(NN[C@@H](C#N)c2c([O-])ccc3ccccc32)n1	ZINC000016958271	182066682	/nfs/dbraw/zinc/06/66/82/182066682.db2.gz	BITKFFANZCHSPD-ZDUSSCGKSA-N	-2	3	321.340	2.119	40	30		DEEBHL
O=C([O-])[C@@H](Cc1ccccc1)CN([O-])C(=O)Cc1ccccc1	ZINC000027748688	401847794	/nfs/dbraw/zinc/84/77/94/401847794.db2.gz	PONANXDRJJIGPG-INIZCTEOSA-N	-2	3	313.353	2.390	40	30		DEEBHL
N#CCSc1nnc(NN=Cc2cc(Cl)ccc2[O-])[n-]1	ZINC000020435797	182217009	/nfs/dbraw/zinc/21/70/09/182217009.db2.gz	RFQMXPQLCUZIDM-MKMNVTDBSA-N	-2	3	308.754	2.225	40	30		DEEBHL
Cc1cc(=O)[n-]c(NN=Cc2cc(Br)ccc2[O-])n1	ZINC000008619256	401754766	/nfs/dbraw/zinc/75/47/66/401754766.db2.gz	FUEYAMPVHZVECP-NSIKDUERSA-N	-2	3	323.150	2.405	40	30		DEEBHL
O=C([O-])c1ccc(NN=C2C(=O)[N-]c3c2cc(F)cc3F)cc1	ZINC000223750993	304245708	/nfs/dbraw/zinc/24/57/08/304245708.db2.gz	SPUSOWOLNZNEPT-UHFFFAOYSA-N	-2	3	317.251	2.431	40	30		DEEBHL
O=C([O-])[C@@H](Cc1c[nH]cn1)N=Cc1c([O-])ccc2ccccc21	ZINC000034762318	527648411	/nfs/dbraw/zinc/64/84/11/527648411.db2.gz	VNUQLWYTGZQBME-VTNJTDAWSA-N	-2	3	309.325	2.383	40	30		DEEBHL
[S-][C@@H]1N=C(c2ccccc2)N2[C@@H]([S-])N=C(c3ccco3)N12	ZINC000056672375	285409725	/nfs/dbraw/zinc/40/97/25/285409725.db2.gz	HEROLBALBGCVHZ-KGLIPLIRSA-N	-2	3	316.411	2.446	40	30		DEEBHL
O=C([O-])[C@H](Cc1ccccc1)CN([O-])C(=O)Cc1ccccc1	ZINC000027748678	401847734	/nfs/dbraw/zinc/84/77/34/401847734.db2.gz	PONANXDRJJIGPG-MRXNPFEDSA-N	-2	3	313.353	2.390	40	30		DEEBHL
O=C([O-])C[C@@H]1C(=O)[N-]/C(=N/c2ccccc2)N1c1ccccc1	ZINC000002710413	304074512	/nfs/dbraw/zinc/07/45/12/304074512.db2.gz	MFPOLKCSPLVQCJ-CQSZACIVSA-N	-2	3	309.325	2.154	40	30		DEEBHL
[S-][C@@H]1N=C(c2ccco2)N2[C@@H]([S-])N=C(c3ccccc3)N12	ZINC000056672372	402090069	/nfs/dbraw/zinc/09/00/69/402090069.db2.gz	HEROLBALBGCVHZ-UONOGXRCSA-N	-2	3	316.411	2.446	40	30		DEEBHL
O=C([O-])[C@H](Cc1c[nH]cn1)N=Cc1c([O-])ccc2ccccc21	ZINC000034762316	526304507	/nfs/dbraw/zinc/30/45/07/526304507.db2.gz	VNUQLWYTGZQBME-OMPOGXFXSA-N	-2	3	309.325	2.383	40	30		DEEBHL