smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000318768620	466590010	/nfs/dbraw/zinc/59/00/10/466590010.db2.gz	AYNNCHZYLSPTNP-UHFFFAOYSA-N	-2	0	338.366	2.127	40	30		EEEBRL
N#CCN1CCC[C@H](c2ccnc([N-]c3nc(C(=O)[O-])cs3)n2)C1	ZINC000585291918	469010672	/nfs/dbraw/zinc/01/06/72/469010672.db2.gz	HCCHICJUBPENBS-JTQLQIEISA-N	-2	0	344.400	2.078	40	30		EEEBRL
O=C([O-])C(N=Nc1ccccc1)=C(NNc1ccccc1)C(=O)[O-]	ZINC000016892277	462991486	/nfs/dbraw/zinc/99/14/86/462991486.db2.gz	JBCIWHUXUYBMAH-IWGRKNQJSA-N	-2	0	326.312	2.092	40	30		EEEBRL
Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2ccccc2C(=O)[O-])cc1	ZINC000033690058	202269449	/nfs/dbraw/zinc/26/94/49/202269449.db2.gz	VFPCGRUSPPGTFM-UHFFFAOYSA-N	-2	0	335.337	2.375	40	30		EEEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/N=C\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000005732217	462668560	/nfs/dbraw/zinc/66/85/60/462668560.db2.gz	ULNJZDPQMMBRNH-BSHIDLADSA-N	-2	0	330.256	2.367	40	30		EEEBRL
O=C([O-])c1ccc(/N=C\c2c[n-]n3c2nc2ccccc2c3=O)cc1O	ZINC000100962724	219112513	/nfs/dbraw/zinc/11/25/13/219112513.db2.gz	XTYSRNYHZMVLQB-UWVJOHFNSA-N	-2	0	348.318	2.330	40	30		EEEBRL
CCCCCCCCNC(=S)N(CCC(=O)[O-])CCC(=O)[O-]	ZINC000100934592	282652547	/nfs/dbraw/zinc/65/25/47/282652547.db2.gz	CWDWHFJYJBSMKG-UHFFFAOYSA-N	-2	0	332.466	2.473	40	30		EEEBRL
O=C([O-])c1ccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000027233240	463186260	/nfs/dbraw/zinc/18/62/60/463186260.db2.gz	WXZFKSZHRQYBPV-VCHYOVAHSA-N	-2	0	335.323	2.388	40	30		EEEBRL
C=CCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000009235071	211055833	/nfs/dbraw/zinc/05/58/33/211055833.db2.gz	JFZVMBGEIFPVOK-FNORWQNLSA-N	-2	0	345.311	2.128	40	30		EEEBRL
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-]	ZINC000097959338	219064943	/nfs/dbraw/zinc/06/49/43/219064943.db2.gz	FDYFJLNRDMUFBF-UHFFFAOYSA-N	-2	0	340.069	2.332	40	30		EEEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N\N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000017158509	462995701	/nfs/dbraw/zinc/99/57/01/462995701.db2.gz	ULNJZDPQMMBRNH-DUGOVBPYSA-N	-2	0	330.256	2.367	40	30		EEEBRL
N#CCN1CCC[C@@H](c2ccnc([N-]c3nc(C(=O)[O-])cs3)n2)C1	ZINC000585291922	469010636	/nfs/dbraw/zinc/01/06/36/469010636.db2.gz	HCCHICJUBPENBS-SNVBAGLBSA-N	-2	0	344.400	2.078	40	30		EEEBRL
O=C([O-])CCC(N=Nc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-]	ZINC000000169095	462545695	/nfs/dbraw/zinc/54/56/95/462545695.db2.gz	CWMOLBNXRMPNTF-REZTVBANSA-N	-2	0	339.657	2.471	40	30		EEEBRL
O=C([O-])C(N=Nc1ccccc1)=C(NNc1ccccc1)C(=O)[O-]	ZINC000004726623	210261730	/nfs/dbraw/zinc/26/17/30/210261730.db2.gz	JBCIWHUXUYBMAH-LRVMPXQBSA-N	-2	0	326.312	2.092	40	30		EEEBRL