smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-]	ZINC000007726728	204247939	/nfs/dbraw/zinc/24/79/39/204247939.db2.gz	MXLOOJSFMBULSD-UHFFFAOYSA-N	-1	1	391.405	2.531	50	5		GFBAMM
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=S	ZINC000101763525	570833375	/nfs/dbraw/zinc/83/33/75/570833375.db2.gz	DCMKEUDRZSORTA-GFCCVEGCSA-N	-1	1	389.437	2.758	50	5		GFBAMM
COc1ccc2nc(NC(=O)C([O-])=CC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102952607	570871877	/nfs/dbraw/zinc/87/18/77/570871877.db2.gz	KDRIOGVFLPPVQT-UHFFFAOYSA-N	-1	1	399.384	2.994	50	5		GFBAMM
COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N-]S(C)(=O)=O	ZINC000033067600	206097222	/nfs/dbraw/zinc/09/72/22/206097222.db2.gz	RSIHLHVMVSSGLB-UHFFFAOYSA-N	-1	1	379.394	2.536	50	5		GFBAMM
CCOc1cc2c(cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)O[C@H](C)C2	ZINC000012560488	570865001	/nfs/dbraw/zinc/86/50/01/570865001.db2.gz	FWAMLNBVMAHLJT-SNVBAGLBSA-N	-1	1	394.405	2.823	50	5		GFBAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])n1	ZINC000006995394	204228508	/nfs/dbraw/zinc/22/85/08/204228508.db2.gz	JZJJFSGAMSATBA-UHFFFAOYSA-N	-1	1	376.438	2.978	50	5		GFBAMM
Cc1nc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CCCCC2)no1	ZINC000046800163	205108346	/nfs/dbraw/zinc/10/83/46/205108346.db2.gz	RULUXICIRUYFMJ-UHFFFAOYSA-N	-1	1	380.426	2.733	50	5		GFBAMM
COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C	ZINC000032831059	570844669	/nfs/dbraw/zinc/84/46/69/570844669.db2.gz	ZZFOREFFMLDDFV-UHFFFAOYSA-N	-1	1	384.385	2.868	50	5		GFBAMM
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1[N-]S(C)(=O)=O	ZINC000033069785	206097044	/nfs/dbraw/zinc/09/70/44/206097044.db2.gz	DDJXKGRLOXPSSL-UHFFFAOYSA-N	-1	1	399.812	2.881	50	5		GFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1	ZINC000005329215	570662059	/nfs/dbraw/zinc/66/20/59/570662059.db2.gz	SCWZSMAINQFREN-UHFFFAOYSA-N	-1	1	375.406	2.831	50	5		GFBAMM
CCCCn1c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=S	ZINC000101495445	570825595	/nfs/dbraw/zinc/82/55/95/570825595.db2.gz	MCEZXNCIZBSDSQ-GFCCVEGCSA-N	-1	1	389.437	2.758	50	5		GFBAMM
O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2N1	ZINC000015732045	207058337	/nfs/dbraw/zinc/05/83/37/207058337.db2.gz	VBDKIHVNHFTQNZ-UHFFFAOYSA-N	-1	1	397.409	2.969	50	5		GFBAMM
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1F	ZINC000095410036	208182191	/nfs/dbraw/zinc/18/21/91/208182191.db2.gz	DRJDIRSPUYACBH-UHFFFAOYSA-N	-1	1	385.348	2.941	50	5		GFBAMM
COc1ccc(OC)c(-c2nc3cc4c(cc3[n-]2)[n+]([O-])c2ccccc2[n+]4[O-])c1	ZINC000248247635	209033157	/nfs/dbraw/zinc/03/31/57/209033157.db2.gz	MZKCIEWQUXXINR-UHFFFAOYSA-N	-1	1	388.383	2.820	50	5		GFBAMM
COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCCC1=O	ZINC000005329665	570554726	/nfs/dbraw/zinc/55/47/26/570554726.db2.gz	GCUFNZFLHKITMW-UHFFFAOYSA-N	-1	1	391.405	2.531	50	5		GFBAMM
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCC1=O	ZINC000005329666	570554934	/nfs/dbraw/zinc/55/49/34/570554934.db2.gz	BLGNNASLLNMUEK-UHFFFAOYSA-N	-1	1	391.405	2.531	50	5		GFBAMM
Cc1cc([O-])c(C(c2ccccc2[N+](=O)[O-])c2c(O)cc(C)oc2=O)c(=O)o1	ZINC000096346832	209014091	/nfs/dbraw/zinc/01/40/91/209014091.db2.gz	DWWAYEPJVNLNIA-UHFFFAOYSA-N	-1	1	385.328	2.709	50	5		GFBAMM
O=C1c2cccc3cc([O-])cc(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002898530	208506135	/nfs/dbraw/zinc/50/61/35/208506135.db2.gz	PIFIYLBJJZQTLD-UHFFFAOYSA-N	-1	1	395.283	2.952	50	5		GFBAMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1C	ZINC000012999618	551108251	/nfs/dbraw/zinc/10/82/51/551108251.db2.gz	ZYTLRWUYDHTCMN-UHFFFAOYSA-N	-1	1	383.813	2.765	50	5		GFBAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O	ZINC000007421946	570840420	/nfs/dbraw/zinc/84/04/20/570840420.db2.gz	IFYFKPCIAFIAGV-UHFFFAOYSA-N	-1	1	396.407	2.604	50	5		GFBAMM
O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000103541924	570886227	/nfs/dbraw/zinc/88/62/27/570886227.db2.gz	CLZVPFLJJJAYNG-DZGCQCFKSA-N	-1	1	389.726	2.680	50	5		GFBAMM
Cc1ccn(C(C(=O)N2CCC(C)CC2)=C([O-])c2cccc([N+](=O)[O-])c2)c(=O)c1	ZINC000004682135	570829960	/nfs/dbraw/zinc/82/99/60/570829960.db2.gz	SWCPAIMJGYEKLD-LJQANCHMSA-N	-1	1	397.431	2.747	50	5		GFBAMM
CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000032592153	570679115	/nfs/dbraw/zinc/67/91/15/570679115.db2.gz	ZRMFYPYRLIDOEH-UHFFFAOYSA-N	-1	1	383.813	2.751	50	5		GFBAMM
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000005173657	551096836	/nfs/dbraw/zinc/09/68/36/551096836.db2.gz	YCOSVZCNNIRXKJ-IZZDOVSWSA-N	-1	1	394.206	2.963	50	5		GFBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]	ZINC000007612608	571001420	/nfs/dbraw/zinc/00/14/20/571001420.db2.gz	KAZLWGVQXRQDAD-UHFFFAOYSA-N	-1	1	375.406	2.831	50	5		GFBAMM
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1[N-]S(C)(=O)=O	ZINC000029968426	211923764	/nfs/dbraw/zinc/92/37/64/211923764.db2.gz	LWYHGGJSBSZIGX-UHFFFAOYSA-N	-1	1	379.394	2.536	50	5		GFBAMM
O=C(CSc1nnc(-c2ccccc2)o1)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000002618524	209371334	/nfs/dbraw/zinc/37/13/34/209371334.db2.gz	OBWFXXPDGJCCSX-UHFFFAOYSA-N	-1	1	384.373	2.694	50	5		GFBAMM
O=c1[n-]nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc2c(c1)OCCO2	ZINC000001324208	209319438	/nfs/dbraw/zinc/31/94/38/209319438.db2.gz	REBZFRWGHWAYBS-UHFFFAOYSA-N	-1	1	386.389	2.532	50	5		GFBAMM
O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000004884690	570354819	/nfs/dbraw/zinc/35/48/19/570354819.db2.gz	PSVHILAGJZMEFY-UHFFFAOYSA-N	-1	1	387.417	2.695	50	5		GFBAMM
COc1cc(C=C2NC(=S)[N-]C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000015011774	210142838	/nfs/dbraw/zinc/14/28/38/210142838.db2.gz	BJVWXEZSAYEBJK-MDWZMJQESA-N	-1	1	385.401	2.939	50	5		GFBAMM
CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)[n-]c1=O	ZINC000007421939	570840314	/nfs/dbraw/zinc/84/03/14/570840314.db2.gz	MFLQJJNGPDFJSL-UHFFFAOYSA-N	-1	1	396.407	2.604	50	5		GFBAMM
Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2C(c3ccccc3Cl)=NOC2=C1[O-]	ZINC000103545149	570886959	/nfs/dbraw/zinc/88/69/59/570886959.db2.gz	RAPOUFQYDHXOJB-GOEBONIOSA-N	-1	1	385.763	2.849	50	5		GFBAMM
C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F	ZINC000032895582	570887049	/nfs/dbraw/zinc/88/70/49/570887049.db2.gz	GTHUDEIPFPXIGF-LLVKDONJSA-N	-1	1	396.396	2.935	50	5		GFBAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000011692343	221121861	/nfs/dbraw/zinc/12/18/61/221121861.db2.gz	ACJAFSYLKUNZBB-UHFFFAOYSA-N	-1	1	377.422	2.541	50	5		GFBAMM
CCCCn1c([O-])c(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[nH]c1=S	ZINC000101763522	570833474	/nfs/dbraw/zinc/83/34/74/570833474.db2.gz	DCMKEUDRZSORTA-LBPRGKRZSA-N	-1	1	389.437	2.758	50	5		GFBAMM
O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000103541927	570886108	/nfs/dbraw/zinc/88/61/08/570886108.db2.gz	CLZVPFLJJJAYNG-ZFWWWQNUSA-N	-1	1	389.726	2.680	50	5		GFBAMM
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1[N-]S(C)(=O)=O	ZINC000012822392	221237493	/nfs/dbraw/zinc/23/74/93/221237493.db2.gz	JHHBWIFQBSWVNN-UHFFFAOYSA-N	-1	1	379.394	2.536	50	5		GFBAMM
Cc1cc(O)c(C2=NCCS[C@@H](c3ccc([O-])c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000018054307	221386104	/nfs/dbraw/zinc/38/61/04/221386104.db2.gz	LUEATPBAHKASEA-OAHLLOKOSA-N	-1	1	376.390	2.935	50	5		GFBAMM
CCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000100502062	570374103	/nfs/dbraw/zinc/37/41/03/570374103.db2.gz	KKTXISRIZJEUNZ-UHFFFAOYSA-N	-1	1	383.360	2.983	50	5		GFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1	ZINC000005077874	570411397	/nfs/dbraw/zinc/41/13/97/570411397.db2.gz	QCCAWVKDBMNMRJ-UHFFFAOYSA-N	-1	1	377.422	2.541	50	5		GFBAMM
CC(C)Cn1c([O-])c(C(=O)Nc2ncc([N+](=O)[O-])s2)c(=O)c2ccccc21	ZINC000096758935	570778727	/nfs/dbraw/zinc/77/87/27/570778727.db2.gz	VQYICPUXBZFNOK-UHFFFAOYSA-N	-1	1	388.405	2.980	50	5		GFBAMM
CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1	ZINC000018006652	221386476	/nfs/dbraw/zinc/38/64/76/221386476.db2.gz	BECOCHNEQLPYMI-UHFFFAOYSA-N	-1	1	392.437	2.678	50	5		GFBAMM
O=C(CSc1nccc(=O)[n-]1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000015980749	570304382	/nfs/dbraw/zinc/30/43/82/570304382.db2.gz	KJUMJGHQXQDJBK-UHFFFAOYSA-N	-1	1	389.418	2.532	50	5		GFBAMM
S=c1[n-]nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCCC5	ZINC000004717862	204067582	/nfs/dbraw/zinc/06/75/82/204067582.db2.gz	IVMMMABAEZFXNC-UHFFFAOYSA-N	-1	1	398.517	2.891	50	5		GFBAMM
COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000005126433	204112423	/nfs/dbraw/zinc/11/24/23/204112423.db2.gz	JQLVWOJRFJLKKW-UHFFFAOYSA-N	-1	1	382.394	2.730	50	5		GFBAMM
O=C1c2cccc3ccc([O-])c(c32)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000007000864	204228968	/nfs/dbraw/zinc/22/89/68/204228968.db2.gz	LAQYEZGEBRCCRY-UHFFFAOYSA-N	-1	1	395.283	2.952	50	5		GFBAMM
O=C1[N-]C(=S)NC1=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000009296682	204306333	/nfs/dbraw/zinc/30/63/33/204306333.db2.gz	HUFKRHZQKCUAPG-KPKJPENVSA-N	-1	1	386.345	2.641	50	5		GFBAMM
Cc1cc(O)c(C2=NCCS[C@H](c3ccc([O-])c([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000017731050	570707477	/nfs/dbraw/zinc/70/74/77/570707477.db2.gz	LUEATPBAHKASEA-HNNXBMFYSA-N	-1	1	376.390	2.935	50	5		GFBAMM
CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1C	ZINC000009668679	204319944	/nfs/dbraw/zinc/31/99/44/204319944.db2.gz	RHSIFMGSQCQZFE-UHFFFAOYSA-N	-1	1	377.422	2.844	50	5		GFBAMM
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc21	ZINC000030530156	206074837	/nfs/dbraw/zinc/07/48/37/206074837.db2.gz	DYIWTZXWJWPCMG-UHFFFAOYSA-N	-1	1	375.406	2.613	50	5		GFBAMM
COC(=O)c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c1	ZINC000002816738	654438719	/nfs/dbraw/zinc/43/87/19/654438719.db2.gz	FGHNRZKCFPLHQH-UHFFFAOYSA-N	-1	1	376.272	2.504	50	5		GFBAMM
[O-][n+]1cc(-c2nc3cc4nc5ccccc5nc4cc3[n-]2)[n+]([O-])c2ccccc21	ZINC000169713088	570784819	/nfs/dbraw/zinc/78/48/19/570784819.db2.gz	SOMGZOGZBYWRNV-UHFFFAOYSA-N	-1	1	380.367	2.746	50	5		GFBAMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1Cl	ZINC000253424592	553151449	/nfs/dbraw/zinc/15/14/49/553151449.db2.gz	IEOULMOCNBHHLP-UHFFFAOYSA-N	-1	1	388.192	2.974	50	5		GFBAMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c1Cl	ZINC000253424592	553151450	/nfs/dbraw/zinc/15/14/50/553151450.db2.gz	IEOULMOCNBHHLP-UHFFFAOYSA-N	-1	1	388.192	2.974	50	5		GFBAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c(C)c1	ZINC000012775214	571028116	/nfs/dbraw/zinc/02/81/16/571028116.db2.gz	HVXVMTXKAVUNHI-UHFFFAOYSA-N	-1	1	379.438	2.725	50	5		GFBAMM
CCc1[nH]n(C)c2nnc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])c1-2	ZINC000225561929	208959211	/nfs/dbraw/zinc/95/92/11/208959211.db2.gz	VGXQCUVSTZVHOT-UHFFFAOYSA-N	-1	1	399.230	2.843	50	5		GFBAMM
O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000103541915	570886133	/nfs/dbraw/zinc/88/61/33/570886133.db2.gz	CLZVPFLJJJAYNG-UKRRQHHQSA-N	-1	1	389.726	2.680	50	5		GFBAMM
Cc1cnc([N+](=O)[O-])n1CCOC(=O)[N-]C(=O)c1ccc(Cl)c(Cl)c1	ZINC000001422367	206380103	/nfs/dbraw/zinc/38/01/03/206380103.db2.gz	UQTIUECFCYIIIV-UHFFFAOYSA-N	-1	1	387.179	2.973	50	5		GFBAMM
Cc1cnc([N+](=O)[O-])n1CCOC(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1	ZINC000001425575	206380755	/nfs/dbraw/zinc/38/07/55/206380755.db2.gz	BNBSLRROPHJDDK-UHFFFAOYSA-N	-1	1	386.286	2.685	50	5		GFBAMM
CCOC(=O)c1cccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)c1	ZINC000015009354	207040151	/nfs/dbraw/zinc/04/01/51/207040151.db2.gz	YJANCXWFMHCUGK-VQHVLOKHSA-N	-1	1	397.343	2.991	50	5		GFBAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000007420298	570839484	/nfs/dbraw/zinc/83/94/84/570839484.db2.gz	GKLMUMDVQIYHQU-UHFFFAOYSA-N	-1	1	396.407	2.685	50	5		GFBAMM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1	ZINC000026540738	207316559	/nfs/dbraw/zinc/31/65/59/207316559.db2.gz	VGOUWUHTYZIYHX-UHFFFAOYSA-N	-1	1	391.449	2.679	50	5		GFBAMM
O=C(COc1cc(F)ccc1[N+](=O)[O-])[N-]C(=O)c1ccc(OC(F)F)cc1	ZINC000012790685	570713720	/nfs/dbraw/zinc/71/37/20/570713720.db2.gz	ZCKFPUUSGBKGPV-UHFFFAOYSA-N	-1	1	384.266	2.671	50	5		GFBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-]	ZINC000012560991	570865270	/nfs/dbraw/zinc/86/52/70/570865270.db2.gz	QMFXDOJSZPBSNO-UHFFFAOYSA-N	-1	1	375.406	2.831	50	5		GFBAMM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1NC(C)=O	ZINC000024437824	570848785	/nfs/dbraw/zinc/84/87/85/570848785.db2.gz	CUBJLJAOHRVSIU-UHFFFAOYSA-N	-1	1	393.421	2.979	50	5		GFBAMM
COc1ccccc1NC(=O)c1[n-]cnc1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005151889	570428266	/nfs/dbraw/zinc/42/82/66/570428266.db2.gz	NRHGNSXLFBMFNE-UHFFFAOYSA-N	-1	1	381.348	2.831	50	5		GFBAMM
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N-]S(C)(=O)=O	ZINC000032753666	570796476	/nfs/dbraw/zinc/79/64/76/570796476.db2.gz	AXBPHLHJCWUNEG-UHFFFAOYSA-N	-1	1	399.812	2.881	50	5		GFBAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000012775219	571028666	/nfs/dbraw/zinc/02/86/66/571028666.db2.gz	DVYYDGBPFCWXCK-UHFFFAOYSA-N	-1	1	379.438	2.923	50	5		GFBAMM
O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000101205349	211397046	/nfs/dbraw/zinc/39/70/46/211397046.db2.gz	CLZVPFLJJJAYNG-HIFRSBDPSA-N	-1	1	389.726	2.680	50	5		GFBAMM
CCc1c(C)nc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])[n-]c1=O	ZINC000015321565	210156422	/nfs/dbraw/zinc/15/64/22/210156422.db2.gz	PJNWPVJVQBJOHY-UHFFFAOYSA-N	-1	1	376.438	2.897	50	5		GFBAMM
C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1F	ZINC000032895583	570887034	/nfs/dbraw/zinc/88/70/34/570887034.db2.gz	GTHUDEIPFPXIGF-NSHDSACASA-N	-1	1	396.396	2.935	50	5		GFBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000005126684	570421674	/nfs/dbraw/zinc/42/16/74/570421674.db2.gz	XNUKJZNOBKQWDA-UHFFFAOYSA-N	-1	1	377.422	2.541	50	5		GFBAMM
COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000012912806	210028063	/nfs/dbraw/zinc/02/80/63/210028063.db2.gz	ATPXHISOQJGSNJ-UHFFFAOYSA-N	-1	1	386.769	2.541	50	5		GFBAMM
S=c1[n-]nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCC5	ZINC000002359165	209358481	/nfs/dbraw/zinc/35/84/81/209358481.db2.gz	PSOOSSNEUCAXIS-UHFFFAOYSA-N	-1	1	384.490	2.875	50	5		GFBAMM
CCCCn1c([O-])c(C2=NN[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=S	ZINC000101495440	570825517	/nfs/dbraw/zinc/82/55/17/570825517.db2.gz	MCEZXNCIZBSDSQ-LBPRGKRZSA-N	-1	1	389.437	2.758	50	5		GFBAMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000012599667	570886109	/nfs/dbraw/zinc/88/61/09/570886109.db2.gz	FLRQAKZKVTZDBT-UHFFFAOYSA-N	-1	1	388.327	2.736	50	5		GFBAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)sc3c2)cc1[N+](=O)[O-]	ZINC000004149982	654442729	/nfs/dbraw/zinc/44/27/29/654442729.db2.gz	PNEQSOCCSXSXQG-UHFFFAOYSA-N	-1	1	382.375	2.572	50	5		GFBAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000017719488	210209035	/nfs/dbraw/zinc/20/90/35/210209035.db2.gz	RQSGRSURZIQZCI-JTQLQIEISA-N	-1	1	392.437	2.759	50	5		GFBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1	ZINC000005329478	570554895	/nfs/dbraw/zinc/55/48/95/570554895.db2.gz	WSMIYOVWVMMVTM-UHFFFAOYSA-N	-1	1	375.406	2.831	50	5		GFBAMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)c1C	ZINC000007325586	570829661	/nfs/dbraw/zinc/82/96/61/570829661.db2.gz	CAUJCLDTQABPEE-NSHDSACASA-N	-1	1	391.405	2.732	50	5		GFBAMM
CCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c([O-])c2ccccc21	ZINC000006511038	570463222	/nfs/dbraw/zinc/46/32/22/570463222.db2.gz	DSZNOGCDSOIKKK-UHFFFAOYSA-N	-1	1	383.360	2.983	50	5		GFBAMM
CCCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(=O)c2ccccc21	ZINC000006511038	570463226	/nfs/dbraw/zinc/46/32/26/570463226.db2.gz	DSZNOGCDSOIKKK-UHFFFAOYSA-N	-1	1	383.360	2.983	50	5		GFBAMM
Cc1cnc([N+](=O)[O-])n1CCOC(=O)[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000001425576	571000337	/nfs/dbraw/zinc/00/03/37/571000337.db2.gz	DPOKPQNIZMZNSF-UHFFFAOYSA-N	-1	1	387.179	2.973	50	5		GFBAMM
O=C1CCSc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2N1	ZINC000015732041	221342597	/nfs/dbraw/zinc/34/25/97/221342597.db2.gz	ZWGFBMHFCGCJSQ-UHFFFAOYSA-N	-1	1	379.419	2.830	50	5		GFBAMM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=S)NC2=O)[C@H]1c1ccccc1	ZINC000017056907	221376159	/nfs/dbraw/zinc/37/61/59/221376159.db2.gz	MNDMEEBVJFUQSK-OAHLLOKOSA-N	-1	1	396.428	2.686	50	5		GFBAMM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=S)NC2=O)[C@H]1c1ccccc1	ZINC000017056907	221376163	/nfs/dbraw/zinc/37/61/63/221376163.db2.gz	MNDMEEBVJFUQSK-OAHLLOKOSA-N	-1	1	396.428	2.686	50	5		GFBAMM
CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000007420295	570839337	/nfs/dbraw/zinc/83/93/37/570839337.db2.gz	WZGACAAWVLZIPR-UHFFFAOYSA-N	-1	1	396.407	2.685	50	5		GFBAMM
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1	ZINC000001425522	212243695	/nfs/dbraw/zinc/24/36/95/212243695.db2.gz	HSMMCDLKHGLRRL-UHFFFAOYSA-N	-1	1	386.286	2.685	50	5		GFBAMM
Cc1ccn(C(C(=O)N2CCC(C)CC2)=C([O-])c2cccc([N+](=O)[O-])c2)c(=O)c1	ZINC000004682134	570829920	/nfs/dbraw/zinc/82/99/20/570829920.db2.gz	SWCPAIMJGYEKLD-IBGZPJMESA-N	-1	1	397.431	2.747	50	5		GFBAMM
CCCS(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000013608794	221277276	/nfs/dbraw/zinc/27/72/76/221277276.db2.gz	BZHCEKZZCCNYIC-UHFFFAOYSA-N	-1	1	390.830	2.536	50	5		GFBAMM
CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000017824216	221384678	/nfs/dbraw/zinc/38/46/78/221384678.db2.gz	RQSGRSURZIQZCI-SNVBAGLBSA-N	-1	1	392.437	2.759	50	5		GFBAMM
Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc([N+](=O)[O-])c1F	ZINC000089587232	230956366	/nfs/dbraw/zinc/95/63/66/230956366.db2.gz	WDKVHGCIKOWIOK-UHFFFAOYSA-N	-1	1	393.396	2.970	50	5		GFBAMM
COc1cc(C=C2NC(=S)[N-]C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000000758000	212179277	/nfs/dbraw/zinc/17/92/77/212179277.db2.gz	OSMWQQUGIICBAG-RIYZIHGNSA-N	-1	1	385.401	2.939	50	5		GFBAMM
Cc1cc([O-])c(C(c2cccc([N+](=O)[O-])c2)c2c(O)cc(C)oc2=O)c(=O)o1	ZINC000095626587	222359891	/nfs/dbraw/zinc/35/98/91/222359891.db2.gz	BIIKTLDVBFVWLX-UHFFFAOYSA-N	-1	1	385.328	2.709	50	5		GFBAMM
O=C([N-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100292830	222458950	/nfs/dbraw/zinc/45/89/50/222458950.db2.gz	MDVCUXQIKDIHNJ-UHFFFAOYSA-N	-1	1	377.225	2.572	50	5		GFBAMM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=S)NC2=O)[C@@H]1c1ccccc1	ZINC000008737915	221054045	/nfs/dbraw/zinc/05/40/45/221054045.db2.gz	MNDMEEBVJFUQSK-HNNXBMFYSA-N	-1	1	396.428	2.686	50	5		GFBAMM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=S)NC2=O)[C@@H]1c1ccccc1	ZINC000008737915	221054048	/nfs/dbraw/zinc/05/40/48/221054048.db2.gz	MNDMEEBVJFUQSK-HNNXBMFYSA-N	-1	1	396.428	2.686	50	5		GFBAMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C	ZINC000007325587	570829544	/nfs/dbraw/zinc/82/95/44/570829544.db2.gz	CAUJCLDTQABPEE-LLVKDONJSA-N	-1	1	391.405	2.732	50	5		GFBAMM
CCOc1cc2c(cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)O[C@@H](C)C2	ZINC000012560490	570865299	/nfs/dbraw/zinc/86/52/99/570865299.db2.gz	FWAMLNBVMAHLJT-JTQLQIEISA-N	-1	1	394.405	2.823	50	5		GFBAMM