smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000030840433	530601115	/nfs/dbraw/zinc/60/11/15/530601115.db2.gz	WDVLEOJQXOYKOG-IHWYPQMZSA-N	-2	3	384.142	1.619	50	5		GDBAHL
O=C1[N-]C(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[n-]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000008860813	204291473	/nfs/dbraw/zinc/29/14/73/204291473.db2.gz	BLBHRXMEEQXVDI-GORDUTHDSA-N	-2	3	394.299	1.698	50	5		GDBAHL
Cc1c([O-])nc(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[n-]c1=O	ZINC000101825117	570835896	/nfs/dbraw/zinc/83/58/96/570835896.db2.gz	NGJPJNMOLRVORY-UHFFFAOYSA-N	-2	3	387.396	1.006	50	5		GDBAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101101420	570813103	/nfs/dbraw/zinc/81/31/03/570813103.db2.gz	CEKOSPYTGYZEGO-HUUCEWRRSA-N	-2	3	394.343	1.155	50	5		GDBAHL
CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C	ZINC000585138294	599234893	/nfs/dbraw/zinc/23/48/93/599234893.db2.gz	CHSICSJBHWWICV-UHFFFAOYSA-N	-2	3	392.401	1.409	50	5		GDBAHL
CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C	ZINC000585138294	599234895	/nfs/dbraw/zinc/23/48/95/599234895.db2.gz	CHSICSJBHWWICV-UHFFFAOYSA-N	-2	3	392.401	1.409	50	5		GDBAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c([N+](=O)[O-])c1	ZINC000078714653	208064884	/nfs/dbraw/zinc/06/48/84/208064884.db2.gz	SNTDIMCZRGMZBI-UHFFFAOYSA-N	-2	3	390.381	1.508	50	5		GDBAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c([N+](=O)[O-])c1	ZINC000078714653	208064890	/nfs/dbraw/zinc/06/48/90/208064890.db2.gz	SNTDIMCZRGMZBI-UHFFFAOYSA-N	-2	3	390.381	1.508	50	5		GDBAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764501	208399046	/nfs/dbraw/zinc/39/90/46/208399046.db2.gz	DFRBNOQCIMORSF-GFCCVEGCSA-N	-2	3	389.393	1.754	50	5		GDBAHL
O=C1[N-]C(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[n-]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000033919407	570506933	/nfs/dbraw/zinc/50/69/33/570506933.db2.gz	BLBHRXMEEQXVDI-DJWKRKHSSA-N	-2	3	394.299	1.698	50	5		GDBAHL
O=c1nc(C=Cc2ccccc2I)c([N+](=O)[O-])c([O-])[n-]1	ZINC000012351826	530556165	/nfs/dbraw/zinc/55/61/65/530556165.db2.gz	CFQLRLBQQIJYRD-AATRIKPKSA-N	-2	3	385.117	1.746	50	5		GDBAHL
O=C(Nc1ccc([N+](=O)[O-])cc1)c1[n-]nnc1[N-]S(=O)(=O)c1ccccc1	ZINC000008694928	209133848	/nfs/dbraw/zinc/13/38/48/209133848.db2.gz	JKEBYFYKPPLMKP-UHFFFAOYSA-N	-2	3	388.365	1.766	50	5		GDBAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101101418	534564324	/nfs/dbraw/zinc/56/43/24/534564324.db2.gz	CEKOSPYTGYZEGO-GJZGRUSLSA-N	-2	3	394.343	1.155	50	5		GDBAHL
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000032833514	530609538	/nfs/dbraw/zinc/60/95/38/530609538.db2.gz	UALPIJHXIKMCLJ-UHFFFAOYSA-N	-3	3	387.395	1.473	50	5		GDBAHL
CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1	ZINC000820108996	599305511	/nfs/dbraw/zinc/30/55/11/599305511.db2.gz	YIUHVWDNJFFRBM-UHFFFAOYSA-N	-2	3	392.401	1.428	50	5		GDBAHL
CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1	ZINC000820108996	599305513	/nfs/dbraw/zinc/30/55/13/599305513.db2.gz	YIUHVWDNJFFRBM-UHFFFAOYSA-N	-2	3	392.401	1.428	50	5		GDBAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000020058253	210315264	/nfs/dbraw/zinc/31/52/64/210315264.db2.gz	VJENMDSEFQBGFK-UHFFFAOYSA-N	-3	3	375.341	1.963	50	5		GDBAHL
COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000240407433	570868197	/nfs/dbraw/zinc/86/81/97/570868197.db2.gz	FMECPBUAUGNEQN-UHFFFAOYSA-N	-3	3	382.350	1.902	50	5		GDBAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000005163505	570468635	/nfs/dbraw/zinc/46/86/35/570468635.db2.gz	CEKOSPYTGYZEGO-CABCVRRESA-N	-2	3	394.343	1.155	50	5		GDBAHL
NS(=O)(=O)c1ccc([N-]c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000016134156	221357540	/nfs/dbraw/zinc/35/75/40/221357540.db2.gz	SNXXEJBBMYDTGV-UHFFFAOYSA-N	-2	3	382.310	1.592	50	5		GDBAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764494	570833357	/nfs/dbraw/zinc/83/33/57/570833357.db2.gz	DFRBNOQCIMORSF-LBPRGKRZSA-N	-2	3	389.393	1.754	50	5		GDBAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101101416	534563544	/nfs/dbraw/zinc/56/35/44/534563544.db2.gz	CEKOSPYTGYZEGO-LSDHHAIUSA-N	-2	3	394.343	1.155	50	5		GDBAHL