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(CSc1nnc([N-]c2ccccc2F)s1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000003241069	560590510	/nfs/dbraw/zinc/59/05/10/560590510.db2.gz	PYNFPUWHUXOQHT-UHFFFAOYSA-N	-1	3	423.426	4.199	50	5		HIBAHM
Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000009120759	571225568	/nfs/dbraw/zinc/22/55/68/571225568.db2.gz	DAMPTXHKLULABT-UHFFFAOYSA-N	-1	3	418.862	4.496	50	5		HIBAHM
Cc1c(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-]	ZINC000004696181	558900819	/nfs/dbraw/zinc/90/08/19/558900819.db2.gz	FQZGOZXDSVJDBD-UHFFFAOYSA-N	-1	3	404.835	4.239	50	5		HIBAHM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001069972	568766877	/nfs/dbraw/zinc/76/68/77/568766877.db2.gz	BYIXFSGAFISCPL-UHFFFAOYSA-N	-1	3	410.835	4.250	50	5		HIBAHM
Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(-c2nc3ccccc3o2)c1[O-]	ZINC000012651585	569402310	/nfs/dbraw/zinc/40/23/10/569402310.db2.gz	MQABSTHZWVVSAA-UHFFFAOYSA-N	-1	3	419.393	4.435	50	5		HIBAHM
Cc1cc(C)c(NC(=O)[C@H](C)Sc2n[n-]c(-c3ccccc3[N+](=O)[O-])n2)c(C)c1	ZINC000059377091	568952231	/nfs/dbraw/zinc/95/22/31/568952231.db2.gz	HAQQSZGIBUVGOW-AWEZNQCLSA-N	-1	3	411.487	4.424	50	5		HIBAHM
COc1[n-]nc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1[N+](=O)[O-]	ZINC000008440459	569003061	/nfs/dbraw/zinc/00/30/61/569003061.db2.gz	NNSCNEJUQBWTDR-UHFFFAOYSA-N	-1	3	414.230	4.009	50	5		HIBAHM
COc1n[n-]c(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1[N+](=O)[O-]	ZINC000008440459	569003062	/nfs/dbraw/zinc/00/30/62/569003062.db2.gz	NNSCNEJUQBWTDR-UHFFFAOYSA-N	-1	3	414.230	4.009	50	5		HIBAHM
COc1cc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cc(OC)c1OC	ZINC000253412017	569366569	/nfs/dbraw/zinc/36/65/69/569366569.db2.gz	PQOSJPJTVOEGEU-UHFFFAOYSA-N	-1	3	405.410	4.266	50	5		HIBAHM
COc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1Br	ZINC000022108770	558779144	/nfs/dbraw/zinc/77/91/44/558779144.db2.gz	OFZUIEQLPXBXEW-UHFFFAOYSA-N	-1	3	424.232	4.335	50	5		HIBAHM
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1[N+](=O)[O-]	ZINC000021112467	568668252	/nfs/dbraw/zinc/66/82/52/568668252.db2.gz	AREQCOAYSJYINR-YRNVUSSQSA-N	-1	3	413.455	4.479	50	5		HIBAHM
COc1ccc2cc(-c3c4cn[nH]c4nc4c5ccc([O-])cc5oc43)c(=O)n(C)c2c1	ZINC000217762291	568910984	/nfs/dbraw/zinc/91/09/84/568910984.db2.gz	AOYSZBUCTWODCN-UHFFFAOYSA-N	-1	3	412.405	4.090	50	5		HIBAHM
CC(=O)Cc1nsc([N-]C(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)n1	ZINC000010435016	571302794	/nfs/dbraw/zinc/30/27/94/571302794.db2.gz	XAIBBPOYIKDWEK-UHFFFAOYSA-N	-1	3	420.834	4.052	50	5		HIBAHM
Cc1noc(/C=C/c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1[N+](=O)[O-]	ZINC000021112522	568668197	/nfs/dbraw/zinc/66/81/97/568668197.db2.gz	HBTBAAJJSLYFFS-DHZHZOJOSA-N	-1	3	413.455	4.479	50	5		HIBAHM
CCCCCCNc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1	ZINC000003877359	568928097	/nfs/dbraw/zinc/92/80/97/568928097.db2.gz	GVYPGJLXNYAPLZ-UHFFFAOYSA-N	-1	3	414.388	4.457	50	5		HIBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000027527332	569363922	/nfs/dbraw/zinc/36/39/22/569363922.db2.gz	WOWQQJLEXQTGJZ-UHFFFAOYSA-N	-1	3	420.812	4.009	50	5		HIBAHM
O=C([N-]c1nnc(CSCc2ccc(F)cc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000009359454	571251456	/nfs/dbraw/zinc/25/14/56/571251456.db2.gz	CKBGKQZCBXMMTH-UHFFFAOYSA-N	-1	3	404.448	4.271	50	5		HIBAHM
COc1cccc2c([O-])c3c(=O)cc(OCC(=O)Nc4c(C)cccc4C)cc-3oc12	ZINC000009530673	571266898	/nfs/dbraw/zinc/26/68/98/571266898.db2.gz	YWYHEGZRLRKZQG-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
COc1cccc2c(=O)c3c([O-])cc(OCC(=O)Nc4c(C)cccc4C)cc3oc12	ZINC000009530673	571266900	/nfs/dbraw/zinc/26/69/00/571266900.db2.gz	YWYHEGZRLRKZQG-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
CCc1cc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc2cc1[O-]	ZINC000058419319	568916921	/nfs/dbraw/zinc/91/69/21/568916921.db2.gz	APYSMDCNQGWVJS-UHFFFAOYSA-N	-1	3	402.834	4.255	50	5		HIBAHM
Cc1cccn2c(=O)c3cc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4Cl)sc3nc12	ZINC000015441516	568886127	/nfs/dbraw/zinc/88/61/27/568886127.db2.gz	UOHOQFWGXNXHNR-UHFFFAOYSA-N	-1	3	414.830	4.032	50	5		HIBAHM
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1[O-]	ZINC000001417269	568934899	/nfs/dbraw/zinc/93/48/99/568934899.db2.gz	LJOMPMKFQLTCCZ-OVCLIPMQSA-N	-1	3	420.830	4.199	50	5		HIBAHM
O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000170635354	569276886	/nfs/dbraw/zinc/27/68/86/569276886.db2.gz	LMDDEFREGXVXGQ-UHFFFAOYSA-N	-1	3	409.364	4.174	50	5		HIBAHM
O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1cccc([O-])c1	ZINC000095470818	568626363	/nfs/dbraw/zinc/62/63/63/568626363.db2.gz	VYNHDSOKAGIYAI-UHFFFAOYSA-N	-1	3	413.183	4.017	50	5		HIBAHM
Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cs1	ZINC000036395178	569168656	/nfs/dbraw/zinc/16/86/56/569168656.db2.gz	GIFOEDLAOAAXKK-UHFFFAOYSA-N	-1	3	405.439	4.106	50	5		HIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Nc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1	ZINC000013063428	569408243	/nfs/dbraw/zinc/40/82/43/569408243.db2.gz	SEPMVORDDUDNBR-UHFFFAOYSA-N	-1	3	417.418	4.287	50	5		HIBAHM
Cc1cc(Br)c([N-]C(=O)c2cc(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	ZINC000095941696	568662380	/nfs/dbraw/zinc/66/23/80/568662380.db2.gz	ZYRIUMGRNSSNBL-UHFFFAOYSA-N	-1	3	407.117	4.474	50	5		HIBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1c(Cl)cccc1Cl	ZINC000002817394	568812210	/nfs/dbraw/zinc/81/22/10/568812210.db2.gz	OQTXNWNYULIOLH-UHFFFAOYSA-N	-1	3	421.327	4.113	50	5		HIBAHM
CC1CCN(CCCn2c(=O)c3sc4ccc([N+](=O)[O-])cc4c3[n-]c2=S)CC1	ZINC000002961763	568830366	/nfs/dbraw/zinc/83/03/66/568830366.db2.gz	DLHKKJFAFMGEFA-UHFFFAOYSA-N	-1	3	418.544	4.304	50	5		HIBAHM
O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1cccc([N+](=O)[O-])c1	ZINC000003234932	568865334	/nfs/dbraw/zinc/86/53/34/568865334.db2.gz	PIGVVOWPQWSTSH-UHFFFAOYSA-N	-1	3	405.436	4.060	50	5		HIBAHM
O=c1c(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc2cccc3c2n1CCC3	ZINC000217697579	568906786	/nfs/dbraw/zinc/90/67/86/568906786.db2.gz	NZNTUHQEBZGTAG-UHFFFAOYSA-N	-1	3	408.417	4.491	50	5		HIBAHM
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1[O-]	ZINC000016182800	569029654	/nfs/dbraw/zinc/02/96/54/569029654.db2.gz	PVUSUVITZHGCDG-OVCLIPMQSA-N	-1	3	420.830	4.199	50	5		HIBAHM
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000328589807	569414777	/nfs/dbraw/zinc/41/47/77/569414777.db2.gz	HGEBJXVWNXOGQY-UHFFFAOYSA-N	-1	3	424.649	4.239	50	5		HIBAHM
O=C([N-]c1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1Sc1ccccc1	ZINC000009127462	571226855	/nfs/dbraw/zinc/22/68/55/571226855.db2.gz	TXFMDAIRWAJADK-UHFFFAOYSA-N	-1	3	419.422	4.443	50	5		HIBAHM
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccc(OCC(N)=O)cc1	ZINC000096115496	568695203	/nfs/dbraw/zinc/69/52/03/568695203.db2.gz	HCINVNARHLASNF-UHFFFAOYSA-N	-1	3	416.437	4.148	50	5		HIBAHM
COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1[O-]	ZINC000002992997	568835899	/nfs/dbraw/zinc/83/58/99/568835899.db2.gz	PVUSUVITZHGCDG-NVNXTCNLSA-N	-1	3	420.830	4.199	50	5		HIBAHM
O=[N+]([O-])c1ccccc1-c1nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[n-]1	ZINC000003616988	568919730	/nfs/dbraw/zinc/91/97/30/568919730.db2.gz	WQBPPKMCNIYSIG-UHFFFAOYSA-N	-1	3	411.321	4.458	50	5		HIBAHM
COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)[N-]c2cc(C(C)C)no2)cc1	ZINC000031752509	568930419	/nfs/dbraw/zinc/93/04/19/568930419.db2.gz	IJLHQEQPAOFKDP-UHFFFAOYSA-N	-1	3	411.414	4.399	50	5		HIBAHM
CCc1nnc([N-]C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)s1	ZINC000009909008	569251847	/nfs/dbraw/zinc/25/18/47/569251847.db2.gz	RZCADLPHSQCNHR-UHFFFAOYSA-N	-1	3	407.502	4.177	50	5		HIBAHM
COc1cc(OC)c(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cc1OC	ZINC000253412620	569366672	/nfs/dbraw/zinc/36/66/72/569366672.db2.gz	ROAKUJVUGGSAHF-UHFFFAOYSA-N	-1	3	405.410	4.266	50	5		HIBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2c3ccccc3Oc3ccccc32)c(Cl)c1	ZINC000013133754	569409596	/nfs/dbraw/zinc/40/95/96/569409596.db2.gz	UZFHCGPMGSPGFK-UHFFFAOYSA-N	-1	3	416.842	4.422	50	5		HIBAHM
Nc1nc([N-]c2ccccc2F)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000009328078	132338663	/nfs/dbraw/zinc/33/86/63/132338663.db2.gz	CSPRHNPUMZRHSB-UHFFFAOYSA-N	-1	3	422.464	4.309	50	5		HIBAHM
COCCNc1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3[n-]c(=O)c2s1	ZINC000020607472	558388472	/nfs/dbraw/zinc/38/84/72/558388472.db2.gz	RSWBUYXAOPXOTC-UHFFFAOYSA-N	-1	3	414.434	4.133	50	5		HIBAHM
Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2cc1[O-]	ZINC000001124892	568771474	/nfs/dbraw/zinc/77/14/74/568771474.db2.gz	ZRWBEBLXDGTABN-UHFFFAOYSA-N	-1	3	420.450	4.224	50	5		HIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000001196005	568822748	/nfs/dbraw/zinc/82/27/48/568822748.db2.gz	GORKWIJAJVVDKW-UHFFFAOYSA-N	-1	3	400.412	4.197	50	5		HIBAHM
CCCCCNc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1	ZINC000003877356	568928134	/nfs/dbraw/zinc/92/81/34/568928134.db2.gz	ZKEGXILVFBAJOX-UHFFFAOYSA-N	-1	3	400.361	4.067	50	5		HIBAHM
COc1ccc(Sc2nsc([N-]C(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1	ZINC000072310546	558777646	/nfs/dbraw/zinc/77/76/46/558777646.db2.gz	BUSGXTPYGPTQRB-UHFFFAOYSA-N	-1	3	402.457	4.167	50	5		HIBAHM
O=C([N-]c1nnc(CSCc2ccccc2F)s1)c1cccc([N+](=O)[O-])c1	ZINC000005200652	560537655	/nfs/dbraw/zinc/53/76/55/560537655.db2.gz	KRMBRWLKZYYEDS-UHFFFAOYSA-N	-1	3	404.448	4.271	50	5	aggregator	HIBAHM
COc1ccc([N-]C(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000008753744	571112736	/nfs/dbraw/zinc/11/27/36/571112736.db2.gz	KGZNTKJYKLKFAS-UHFFFAOYSA-N	-1	3	413.342	4.033	50	5		HIBAHM
CCc1ccccc1NC(=O)COc1cc(=O)c2c([O-])c3cccc(OC)c3oc-2c1	ZINC000009048920	571215814	/nfs/dbraw/zinc/21/58/14/571215814.db2.gz	AIWNLBKCBICHHV-UHFFFAOYSA-N	-1	3	419.433	4.240	50	5		HIBAHM
CCc1ccccc1NC(=O)COc1cc([O-])c2c(c1)oc1c(OC)cccc1c2=O	ZINC000009048920	571215816	/nfs/dbraw/zinc/21/58/16/571215816.db2.gz	AIWNLBKCBICHHV-UHFFFAOYSA-N	-1	3	419.433	4.240	50	5		HIBAHM
C[C@H](NCc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004336033	558262132	/nfs/dbraw/zinc/26/21/32/558262132.db2.gz	LHGLISWQNAPAER-JTQLQIEISA-N	-1	3	411.277	4.071	50	5		HIBAHM
O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccccc1[O-]	ZINC000095470787	568626152	/nfs/dbraw/zinc/62/61/52/568626152.db2.gz	YKYQPEUAOOALKZ-UHFFFAOYSA-N	-1	3	413.183	4.017	50	5		HIBAHM
Cc1nc([N+](=O)[O-])c(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)n1Cc1ccccc1	ZINC000006460022	569053296	/nfs/dbraw/zinc/05/32/96/569053296.db2.gz	XKEXZAZXSQWNSI-UHFFFAOYSA-N	-1	3	410.415	4.084	50	5		HIBAHM
Cc1nc([N+](=O)[O-])c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)n1Cc1ccccc1	ZINC000006460022	569053297	/nfs/dbraw/zinc/05/32/97/569053297.db2.gz	XKEXZAZXSQWNSI-UHFFFAOYSA-N	-1	3	410.415	4.084	50	5		HIBAHM
O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000013113281	569409124	/nfs/dbraw/zinc/40/91/24/569409124.db2.gz	NNPQZWVLRSXJPU-UHFFFAOYSA-N	-1	3	423.426	4.199	50	5		HIBAHM
CCn1nc(C)c([C@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000071785130	571300861	/nfs/dbraw/zinc/30/08/61/571300861.db2.gz	YGGKRFWTAWVTHV-OAQYLSRUSA-N	-1	3	405.458	4.489	50	5		HIBAHM
CSCc1c2ccccc2oc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000032994611	558808852	/nfs/dbraw/zinc/80/88/52/558808852.db2.gz	RUSLENMBHGNUCG-UHFFFAOYSA-N	-1	3	400.412	4.228	50	5		HIBAHM
O=C(Nc1ccc(SCc2cccnc2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000040070102	571151175	/nfs/dbraw/zinc/15/11/75/571151175.db2.gz	PVVLQZRDZRNCDS-UHFFFAOYSA-N	-1	3	405.439	4.411	50	5		HIBAHM
Cc1onc(C(=O)[N-]c2nc(C(C)(C)C)cs2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641701	558849107	/nfs/dbraw/zinc/84/91/07/558849107.db2.gz	CBRAVZFFLXBXOQ-UHFFFAOYSA-N	-1	3	416.459	4.477	50	5		HIBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)c1	ZINC000005033628	559231786	/nfs/dbraw/zinc/23/17/86/559231786.db2.gz	ZKLWTNAVNNHTDU-UHFFFAOYSA-N	-1	3	410.434	4.088	50	5		HIBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)c1	ZINC000005050702	559237006	/nfs/dbraw/zinc/23/70/06/559237006.db2.gz	LTKSDPPIOWPECO-UHFFFAOYSA-N	-1	3	416.825	4.125	50	5		HIBAHM
CCn1nc(C)c([C@@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000071785129	571300835	/nfs/dbraw/zinc/30/08/35/571300835.db2.gz	YGGKRFWTAWVTHV-NRFANRHFSA-N	-1	3	405.458	4.489	50	5		HIBAHM
Cn1c2ccccc2nc1-c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1	ZINC000072273172	558693324	/nfs/dbraw/zinc/69/33/24/558693324.db2.gz	DRIFIIWGWCEHBE-UHFFFAOYSA-N	-1	3	412.409	4.277	50	5		HIBAHM
O=C([N-]c1nnc(-c2ccc(Br)cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000004070386	568937733	/nfs/dbraw/zinc/93/77/33/568937733.db2.gz	JWCFDJQUVVUMAA-UHFFFAOYSA-N	-1	3	405.233	4.128	50	5		HIBAHM
C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016046138	569028321	/nfs/dbraw/zinc/02/83/21/569028321.db2.gz	QFFUBOLACJFDRG-JTQLQIEISA-N	-1	3	419.463	4.448	50	5		HIBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O	ZINC000004939343	559211787	/nfs/dbraw/zinc/21/17/87/559211787.db2.gz	INUMXOINBWJYBZ-UHFFFAOYSA-N	-1	3	410.407	4.485	50	5		HIBAHM
Cc1ccc(OCCSc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000002844542	568812950	/nfs/dbraw/zinc/81/29/50/568812950.db2.gz	SCGIQPBBSKRXLR-UHFFFAOYSA-N	-1	3	416.484	4.178	50	5		HIBAHM
CC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1	ZINC000009354689	571250695	/nfs/dbraw/zinc/25/06/95/571250695.db2.gz	XKBYBZVBHDPBKH-UHFFFAOYSA-N	-1	3	412.383	4.081	50	5		HIBAHM
COc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1C	ZINC000027468359	569324778	/nfs/dbraw/zinc/32/47/78/569324778.db2.gz	SMAAXAZHCJXXHD-UHFFFAOYSA-N	-1	3	414.399	4.196	50	5		HIBAHM
CCc1ccccc1NC(=O)COc1cc(=O)c2c([O-])c3cc(OC)ccc3oc-2c1	ZINC000009547188	571267814	/nfs/dbraw/zinc/26/78/14/571267814.db2.gz	VJZARVCETBGUBC-UHFFFAOYSA-N	-1	3	419.433	4.240	50	5		HIBAHM
CCc1ccccc1NC(=O)COc1cc([O-])c2c(c1)oc1ccc(OC)cc1c2=O	ZINC000009547188	571267815	/nfs/dbraw/zinc/26/78/15/571267815.db2.gz	VJZARVCETBGUBC-UHFFFAOYSA-N	-1	3	419.433	4.240	50	5		HIBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1ccc(Cl)c(Cl)c1	ZINC000014186183	559154996	/nfs/dbraw/zinc/15/49/96/559154996.db2.gz	LXTVPTBALTWFSX-UHFFFAOYSA-N	-1	3	421.327	4.113	50	5		HIBAHM
Cc1nc([N-]C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)sc1C(=O)N(C)C	ZINC000016400386	569041143	/nfs/dbraw/zinc/04/11/43/569041143.db2.gz	BAHXEMXNPFRTQD-UHFFFAOYSA-N	-1	3	424.891	4.182	50	5		HIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Nc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1	ZINC000089635172	569261481	/nfs/dbraw/zinc/26/14/81/569261481.db2.gz	JUAKRHJLQJWVBI-UHFFFAOYSA-N	-1	3	413.455	4.456	50	5		HIBAHM
COc1cc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cc2c1OCCO2	ZINC000253404744	569365869	/nfs/dbraw/zinc/36/58/69/569365869.db2.gz	HYHCOWMFXAGNTA-UHFFFAOYSA-N	-1	3	403.394	4.020	50	5		HIBAHM
Cc1cc([N-]C(=O)c2noc(C(C)C)c2[N+](=O)[O-])nn1Cc1ccc(Cl)cc1	ZINC000009610806	571273614	/nfs/dbraw/zinc/27/36/14/571273614.db2.gz	YWGLWNNIBRDKAW-UHFFFAOYSA-N	-1	3	403.826	4.165	50	5		HIBAHM
COc1ccc2nc([N-]C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3Cl)sc2c1	ZINC000003223958	568863756	/nfs/dbraw/zinc/86/37/56/568863756.db2.gz	LPXQRJVECDDXNF-UHFFFAOYSA-N	-1	3	408.779	4.027	50	5		HIBAHM
O=C(Nc1ccccc1[O-])C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1	ZINC000012595981	568868963	/nfs/dbraw/zinc/86/89/63/568868963.db2.gz	IXSLLBRUGIPPPP-UHFFFAOYSA-N	-1	3	409.364	4.174	50	5		HIBAHM
Nc1nc(N2CCC(Cc3ccccc3)CC2)nc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000005054872	132299681	/nfs/dbraw/zinc/29/96/81/132299681.db2.gz	RUCZQUFZRHMITL-UHFFFAOYSA-N	-1	3	422.464	4.309	50	5		HIBAHM
Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c([O-])c1	ZINC000012553291	132363212	/nfs/dbraw/zinc/36/32/12/132363212.db2.gz	SVSIKCVJOWXRFI-UHFFFAOYSA-N	-1	3	423.391	4.483	50	5		HIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1	ZINC000005150642	559253594	/nfs/dbraw/zinc/25/35/94/559253594.db2.gz	MHTRDQDSPCHLTR-UHFFFAOYSA-N	-1	3	405.657	4.120	50	5		HIBAHM
COc1ccc2oc3cc(OCC(=O)Nc4cccc(C)c4C)cc(=O)c-3c([O-])c2c1	ZINC000011867373	559264013	/nfs/dbraw/zinc/26/40/13/559264013.db2.gz	XRCKBBFMHXEEPB-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
COc1ccc2oc3cc(OCC(=O)Nc4cccc(C)c4C)cc([O-])c3c(=O)c2c1	ZINC000011867373	559264014	/nfs/dbraw/zinc/26/40/14/559264014.db2.gz	XRCKBBFMHXEEPB-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)cc1[N+](=O)[O-]	ZINC000095944134	568661347	/nfs/dbraw/zinc/66/13/47/568661347.db2.gz	SXJUBMXMPZCRGS-UHFFFAOYSA-N	-1	3	419.684	4.428	50	5		HIBAHM
O=C1[N-]C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1	ZINC000001133367	568773256	/nfs/dbraw/zinc/77/32/56/568773256.db2.gz	YOXFJJSIAAOUDA-LDADJPATSA-N	-1	3	408.801	4.136	50	5		HIBAHM
COc1ccc2oc3cc(OCC(=O)Nc4c(C)cccc4C)cc(=O)c-3c([O-])c2c1	ZINC000008992677	571207647	/nfs/dbraw/zinc/20/76/47/571207647.db2.gz	PYWZQORAOLWYCM-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
COc1ccc2oc3cc(OCC(=O)Nc4c(C)cccc4C)cc([O-])c3c(=O)c2c1	ZINC000008992677	571207649	/nfs/dbraw/zinc/20/76/49/571207649.db2.gz	PYWZQORAOLWYCM-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1	ZINC000009508584	571263964	/nfs/dbraw/zinc/26/39/64/571263964.db2.gz	KKIQTEUAZQOCFB-UHFFFAOYSA-N	-1	3	419.463	4.368	50	5		HIBAHM
Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)c2)n1	ZINC000252500968	559277956	/nfs/dbraw/zinc/27/79/56/559277956.db2.gz	UAKFUFJGSOONED-UHFFFAOYSA-N	-1	3	409.876	4.481	50	5		HIBAHM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1	ZINC000012383687	560780080	/nfs/dbraw/zinc/78/00/80/560780080.db2.gz	FVMJZXCEFISPLW-VIFPVBQESA-N	-1	3	419.684	4.050	50	5		HIBAHM
CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1	ZINC000021112444	568668304	/nfs/dbraw/zinc/66/83/04/568668304.db2.gz	IXELOZFMEQMJLP-MDWZMJQESA-N	-1	3	413.455	4.425	50	5		HIBAHM
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccc(Cl)cc1	ZINC000002717809	568802677	/nfs/dbraw/zinc/80/26/77/568802677.db2.gz	XPURPWCBFKTLIF-UHFFFAOYSA-N	-1	3	413.846	4.375	50	5		HIBAHM
C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016046137	569028316	/nfs/dbraw/zinc/02/83/16/569028316.db2.gz	QFFUBOLACJFDRG-SNVBAGLBSA-N	-1	3	419.463	4.448	50	5		HIBAHM
O=C(Nc1ccccc1Sc1ccccc1)c1n[n-]c([N+](=O)[O-])c1Br	ZINC000017091751	569274137	/nfs/dbraw/zinc/27/41/37/569274137.db2.gz	SIDCTVBRSGXFAO-UHFFFAOYSA-N	-1	3	419.260	4.484	50	5		HIBAHM
O=C(Nc1ccccc1Sc1ccccc1)c1[n-]nc([N+](=O)[O-])c1Br	ZINC000017091751	569274139	/nfs/dbraw/zinc/27/41/39/569274139.db2.gz	SIDCTVBRSGXFAO-UHFFFAOYSA-N	-1	3	419.260	4.484	50	5		HIBAHM
O=C(Nc1ccccc1[O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000012553671	132363268	/nfs/dbraw/zinc/36/32/68/132363268.db2.gz	SKKACDXMPZJYQV-UHFFFAOYSA-N	-1	3	409.364	4.174	50	5		HIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(F)cc3[N+](=O)[O-])cc2)cc1	ZINC000012521080	568841449	/nfs/dbraw/zinc/84/14/49/568841449.db2.gz	WYYSHWPYGZAPRQ-UHFFFAOYSA-N	-1	3	418.402	4.336	50	5		HIBAHM
O=C([N-]c1ccccc1[N+](=O)[O-])c1cnn2c1nc(-c1ccccc1)cc2C(F)F	ZINC000006829701	569143383	/nfs/dbraw/zinc/14/33/83/569143383.db2.gz	DZWQKKKNFHVRSN-UHFFFAOYSA-N	-1	3	409.352	4.494	50	5		HIBAHM
O=C([N-]c1nnc(CSCc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1	ZINC000002269045	569326012	/nfs/dbraw/zinc/32/60/12/569326012.db2.gz	DHLNSDSXJCPLTB-UHFFFAOYSA-N	-1	3	404.448	4.271	50	5		HIBAHM
Cc1cc(F)cc(C(=O)[N-]c2nc(-c3ccc4c(c3)OCCO4)cs2)c1[N+](=O)[O-]	ZINC000079054583	569425841	/nfs/dbraw/zinc/42/58/41/569425841.db2.gz	NSDRLIDUZBDEFH-UHFFFAOYSA-N	-1	3	415.402	4.189	50	5		HIBAHM
Cc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1[N+](=O)[O-]	ZINC000003343564	568884179	/nfs/dbraw/zinc/88/41/79/568884179.db2.gz	FJTPDPXQKFBHEA-UHFFFAOYSA-N	-1	3	419.463	4.368	50	5		HIBAHM
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2n[n-]c(-c3ccccc3[N+](=O)[O-])n2)c(C)c1	ZINC000059377089	568952215	/nfs/dbraw/zinc/95/22/15/568952215.db2.gz	HAQQSZGIBUVGOW-CQSZACIVSA-N	-1	3	411.487	4.424	50	5		HIBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1	ZINC000001746108	569051389	/nfs/dbraw/zinc/05/13/89/569051389.db2.gz	FOSQVTPQHYDQAE-UHFFFAOYSA-N	-1	3	403.441	4.209	50	5		HIBAHM
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1[N-]C(=O)c1cc(C)on1	ZINC000009690957	571280327	/nfs/dbraw/zinc/28/03/27/571280327.db2.gz	ASRJNSCRHIGWHJ-UHFFFAOYSA-N	-1	3	401.400	4.049	50	5		HIBAHM
O=C([N-]c1nnc(SCc2c(F)cccc2F)s1)c1cccc([N+](=O)[O-])c1	ZINC000035913010	569066019	/nfs/dbraw/zinc/06/60/19/569066019.db2.gz	BTGPGBPXVQYVDU-UHFFFAOYSA-N	-1	3	408.411	4.269	50	5		HIBAHM
COc1ccc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cc1COC(C)=O	ZINC000253403028	569365660	/nfs/dbraw/zinc/36/56/60/569365660.db2.gz	GWIMTGWVNNHGIU-UHFFFAOYSA-N	-1	3	417.421	4.312	50	5		HIBAHM
COc1cccc2c([O-])c3c(=O)cc(OCC(=O)Nc4cc(C)ccc4C)cc-3oc12	ZINC000009484974	571262248	/nfs/dbraw/zinc/26/22/48/571262248.db2.gz	PPOLBJPBVFXHEK-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
COc1cccc2c(=O)c3c([O-])cc(OCC(=O)Nc4cc(C)ccc4C)cc3oc12	ZINC000009484974	571262249	/nfs/dbraw/zinc/26/22/49/571262249.db2.gz	PPOLBJPBVFXHEK-UHFFFAOYSA-N	-1	3	419.433	4.295	50	5		HIBAHM
NC(=O)c1c([N-]C(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)sc2c1CCC2	ZINC000002197052	569294616	/nfs/dbraw/zinc/29/46/16/569294616.db2.gz	IYJMJHYKUMXWSY-UHFFFAOYSA-N	-1	3	421.887	4.364	50	5		HIBAHM
O=C(NCCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1cccc([O-])c1	ZINC000060363030	558888245	/nfs/dbraw/zinc/88/82/45/558888245.db2.gz	IHVHOTFAJCGWGM-UHFFFAOYSA-N	-1	3	417.771	4.205	50	5		HIBAHM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001068303	568766013	/nfs/dbraw/zinc/76/60/13/568766013.db2.gz	AEUKDHFBHXXWCK-UHFFFAOYSA-N	-1	3	410.835	4.250	50	5		HIBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)c1	ZINC000017208129	569276578	/nfs/dbraw/zinc/27/65/78/569276578.db2.gz	VEUZICJJKJKFCE-UHFFFAOYSA-N	-1	3	416.825	4.125	50	5		HIBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	ZINC000027527480	569363886	/nfs/dbraw/zinc/36/38/86/569363886.db2.gz	LTTIPSYQYCDSHS-UHFFFAOYSA-N	-1	3	420.812	4.009	50	5		HIBAHM
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)ccc1[N+](=O)[O-]	ZINC000253419749	569367802	/nfs/dbraw/zinc/36/78/02/569367802.db2.gz	SBLQNUPAFVBTMZ-UHFFFAOYSA-N	-1	3	405.657	4.120	50	5		HIBAHM
Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000009303501	569392252	/nfs/dbraw/zinc/39/22/52/569392252.db2.gz	HINXTXPBELYVSO-UHFFFAOYSA-N	-1	3	419.393	4.435	50	5		HIBAHM
O=C([N-]c1nnc(CSCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000008738939	571109101	/nfs/dbraw/zinc/10/91/01/571109101.db2.gz	VUKCVBVYASEDAQ-UHFFFAOYSA-N	-1	3	404.448	4.271	50	5		HIBAHM
C[C@@H](NCc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004336034	558262140	/nfs/dbraw/zinc/26/21/40/558262140.db2.gz	LHGLISWQNAPAER-SNVBAGLBSA-N	-1	3	411.277	4.071	50	5		HIBAHM
Cc1cc(C(=O)[N-]n2c(=O)c3ccccc3nc2C2CCCCC2)ccc1[N+](=O)[O-]	ZINC000005206016	560539503	/nfs/dbraw/zinc/53/95/03/560539503.db2.gz	WWSPBRQCRFZNHV-UHFFFAOYSA-N	-1	3	406.442	4.045	50	5		HIBAHM
COc1ccc(-c2cc(C(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)no2)cc1OC	ZINC000046086928	568428236	/nfs/dbraw/zinc/42/82/36/568428236.db2.gz	YYXXLCYGVNPGCX-UHFFFAOYSA-N	-1	3	403.778	4.173	50	5		HIBAHM
O=C(CCc1ccc([N+](=O)[O-])cc1)c1c([O-])cc(OC(=O)c2ccccc2)cc1O	ZINC000003122418	568856785	/nfs/dbraw/zinc/85/67/85/568856785.db2.gz	FRVQMBCJRXZXKU-UHFFFAOYSA-N	-1	3	407.378	4.041	50	5		HIBAHM
Cc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1	ZINC000009466064	571261048	/nfs/dbraw/zinc/26/10/48/571261048.db2.gz	WRFOPXIMHRLXEM-UHFFFAOYSA-N	-1	3	419.463	4.368	50	5		HIBAHM
O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccccc1[N+](=O)[O-]	ZINC000004986259	559224027	/nfs/dbraw/zinc/22/40/27/559224027.db2.gz	ABZGKPDRRXERTQ-UHFFFAOYSA-N	-1	3	405.436	4.060	50	5		HIBAHM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1	ZINC000012383688	569400741	/nfs/dbraw/zinc/40/07/41/569400741.db2.gz	FVMJZXCEFISPLW-SECBINFHSA-N	-1	3	419.684	4.050	50	5		HIBAHM
O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCCC2)C(=O)N1c1cccc([O-])c1	ZINC000004949571	132296918	/nfs/dbraw/zinc/29/69/18/132296918.db2.gz	SBIRODUXUQEOOX-UHFFFAOYSA-N	-1	3	417.421	4.245	50	5		HIBAHM