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(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000009382490	194730457	/nfs/dbraw/zinc/73/04/57/194730457.db2.gz	MTQGRLTYVKJDHQ-UHFFFAOYSA-N	-1	3	497.468	2.013	50	5		JEBAHM
Cn1nc(C(=O)NCc2ccco2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1	ZINC000096279379	130023135	/nfs/dbraw/zinc/02/31/35/130023135.db2.gz	KLQYYQXKXKVUGL-UHFFFAOYSA-N	-1	3	461.456	2.084	50	5		JEBAHM
COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1C(C)(C)C	ZINC000096291793	130043240	/nfs/dbraw/zinc/04/32/40/130043240.db2.gz	MGWCRSRWKOPLHF-UHFFFAOYSA-N	-1	3	495.558	2.464	50	5		JEBAHM
COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)=C([O-])C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000008653657	523597276	/nfs/dbraw/zinc/59/72/76/523597276.db2.gz	JMVAKDKBTGCEPQ-NSHDSACASA-N	-1	3	458.814	2.024	50	5		JEBAHM
COc1ccc(-n2nc(C(N)=O)c(C)c2Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)cc1	ZINC000096279257	536558318	/nfs/dbraw/zinc/55/83/18/536558318.db2.gz	WXHXWHZAEALDLY-UHFFFAOYSA-N	-1	3	487.494	2.429	50	5		JEBAHM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1C	ZINC000010680540	555732225	/nfs/dbraw/zinc/73/22/25/555732225.db2.gz	HRKCZUKCGWOXGG-UHFFFAOYSA-N	-1	3	459.571	2.405	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000016994612	556199085	/nfs/dbraw/zinc/19/90/85/556199085.db2.gz	YFDMJGABDQTZBF-RDPSFJRHSA-N	-1	3	463.494	2.419	50	5		JEBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1N1CCN(CCO)CC1	ZINC000033014454	569618119	/nfs/dbraw/zinc/61/81/19/569618119.db2.gz	LLLBYCKHIDGYPO-UHFFFAOYSA-N	-1	3	485.360	2.272	50	5		JEBAHM
CCn1nc(C(=O)NC2CC2)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203537	569737516	/nfs/dbraw/zinc/73/75/16/569737516.db2.gz	GIYRYDWWZVQMHP-UHFFFAOYSA-N	-1	3	451.505	2.491	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203817	569737778	/nfs/dbraw/zinc/73/77/78/569737778.db2.gz	OSZYWRIPBYCTME-CZUORRHYSA-N	-1	3	495.558	2.415	50	5		JEBAHM
Cn1nc(C(=O)NC[C@H]2CCCO2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203898	569737862	/nfs/dbraw/zinc/73/78/62/569737862.db2.gz	WZPNMOOMBWLLSD-CQSZACIVSA-N	-1	3	481.531	2.106	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203893	569737902	/nfs/dbraw/zinc/73/79/02/569737902.db2.gz	GMIAICOASSQWQW-ZFWWWQNUSA-N	-1	3	481.531	2.106	50	5		JEBAHM
Cn1nc(C(=O)N2CCCC2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096278819	130021416	/nfs/dbraw/zinc/02/14/16/130021416.db2.gz	VMUAIFVMYZNOBG-UHFFFAOYSA-N	-1	3	451.505	2.433	50	5		JEBAHM
O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	ZINC000008442857	554592502	/nfs/dbraw/zinc/59/25/02/554592502.db2.gz	RSDGOWWLLUDVRZ-UHFFFAOYSA-N	-1	3	456.370	2.336	50	5		JEBAHM
COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009382017	555145734	/nfs/dbraw/zinc/14/57/34/555145734.db2.gz	DOLRHVVSZHTNRN-UHFFFAOYSA-N	-1	3	466.479	2.444	50	5		JEBAHM
CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000020102969	555635307	/nfs/dbraw/zinc/63/53/07/555635307.db2.gz	XOIJZOFCYGSGBT-GOSISDBHSA-N	-1	3	482.493	2.395	50	5		JEBAHM
C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000019076911	556328213	/nfs/dbraw/zinc/32/82/13/556328213.db2.gz	FFVKDPNVUPLVSA-VIFPVBQESA-N	-1	3	499.914	2.102	50	5		JEBAHM
Cn1nc(C(=O)NC[C@@H]2CCCO2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203897	569737847	/nfs/dbraw/zinc/73/78/47/569737847.db2.gz	WZPNMOOMBWLLSD-AWEZNQCLSA-N	-1	3	481.531	2.106	50	5		JEBAHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1	ZINC000013856675	555635006	/nfs/dbraw/zinc/63/50/06/555635006.db2.gz	KWJLOQVZVRFLPC-CQSZACIVSA-N	-1	3	490.266	2.277	50	5		JEBAHM
COc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OC	ZINC000011449695	555781105	/nfs/dbraw/zinc/78/11/05/555781105.db2.gz	LWCHRUYPRIAKMT-UHFFFAOYSA-N	-1	3	455.514	2.257	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203894	569737879	/nfs/dbraw/zinc/73/78/79/569737879.db2.gz	GMIAICOASSQWQW-UKRRQHHQSA-N	-1	3	481.531	2.106	50	5		JEBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203902	569737910	/nfs/dbraw/zinc/73/79/10/569737910.db2.gz	XFDMZDOMAVRPKK-HNNXBMFYSA-N	-1	3	481.531	2.026	50	5		JEBAHM
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000039931792	569812382	/nfs/dbraw/zinc/81/23/82/569812382.db2.gz	RULKBCWWUQMAPT-GFCCVEGCSA-N	-1	3	453.411	2.303	50	5		JEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002134463	554061473	/nfs/dbraw/zinc/06/14/73/554061473.db2.gz	MSSDGMUVLNTWOL-KBPBESRZSA-N	-1	3	484.512	2.071	50	5		JEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000008915930	554810009	/nfs/dbraw/zinc/81/00/09/554810009.db2.gz	KBXMEULUOYQXLG-UHFFFAOYSA-N	-1	3	486.528	2.320	50	5		JEBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC[C@@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)c(C)c1	ZINC000062632972	569613854	/nfs/dbraw/zinc/61/38/54/569613854.db2.gz	ZFPOVGVIDDWOCV-INIZCTEOSA-N	-1	3	497.599	2.022	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1CC	ZINC000096203546	569737549	/nfs/dbraw/zinc/73/75/49/569737549.db2.gz	HGBAJTWPONPUHU-CQSZACIVSA-N	-1	3	495.558	2.461	50	5		JEBAHM
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000039931793	569812416	/nfs/dbraw/zinc/81/24/16/569812416.db2.gz	RULKBCWWUQMAPT-LBPRGKRZSA-N	-1	3	453.411	2.303	50	5		JEBAHM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039208	570043871	/nfs/dbraw/zinc/04/38/71/570043871.db2.gz	ZNBNXIPIZWJYMP-OFVILXPXSA-N	-1	3	477.521	2.317	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430660	570080463	/nfs/dbraw/zinc/08/04/63/570080463.db2.gz	COZVZLVOMBYYJR-GCJKJVERSA-N	-1	3	469.885	2.194	50	5		JEBAHM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@@H]43)C2=O)cc1	ZINC000014943690	524391749	/nfs/dbraw/zinc/39/17/49/524391749.db2.gz	POOGYTSAJYJEBF-XXBNENTESA-N	-1	3	465.466	2.390	50	5		JEBAHM
CCCNC(=O)c1nn(CC)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C2CC2)c1C	ZINC000096279236	535156602	/nfs/dbraw/zinc/15/66/02/535156602.db2.gz	QUBGYPNNCAIHMO-UHFFFAOYSA-N	-1	3	451.505	2.492	50	5		JEBAHM
Cc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)OCc2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000002862637	554389475	/nfs/dbraw/zinc/38/94/75/554389475.db2.gz	APYAVCNTIGTNHK-UHFFFAOYSA-N	-1	3	471.491	2.194	50	5		JEBAHM
Cc1ccc(CCC[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c(C)c1	ZINC000013006585	556198146	/nfs/dbraw/zinc/19/81/46/556198146.db2.gz	BLPROAGTBQAEJN-UHFFFAOYSA-N	-1	3	455.558	2.373	50	5		JEBAHM
CN(Cc1ccccc1)Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000035926484	569729847	/nfs/dbraw/zinc/72/98/47/569729847.db2.gz	BKWOFHGFQNWPQF-UHFFFAOYSA-N	-1	3	462.510	2.273	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203816	569737756	/nfs/dbraw/zinc/73/77/56/569737756.db2.gz	OSZYWRIPBYCTME-BBRMVZONSA-N	-1	3	495.558	2.415	50	5		JEBAHM
Cc1c(C(=O)NC[C@H]2CCCO2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203789	569737774	/nfs/dbraw/zinc/73/77/74/569737774.db2.gz	HWDJJRHBHYSVPX-OAHLLOKOSA-N	-1	3	481.531	2.025	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000036329155	569763393	/nfs/dbraw/zinc/76/33/93/569763393.db2.gz	YFDMJGABDQTZBF-GBXCKJPGSA-N	-1	3	463.494	2.419	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000012416767	523930737	/nfs/dbraw/zinc/93/07/37/523930737.db2.gz	COZVZLVOMBYYJR-PGRDOPGGSA-N	-1	3	469.885	2.194	50	5		JEBAHM
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1	ZINC000009382012	555145666	/nfs/dbraw/zinc/14/56/66/555145666.db2.gz	SJEDRTKYAUZSPM-UHFFFAOYSA-N	-1	3	466.479	2.444	50	5		JEBAHM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1	ZINC000032932865	556548246	/nfs/dbraw/zinc/54/82/46/556548246.db2.gz	YGFSQQCXHHZTKV-UHFFFAOYSA-N	-1	3	496.611	2.356	50	5		JEBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCCC2)nn1C	ZINC000096203452	569737369	/nfs/dbraw/zinc/73/73/69/569737369.db2.gz	LELDHWBTAUNAQU-UHFFFAOYSA-N	-1	3	451.505	2.291	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203892	569737819	/nfs/dbraw/zinc/73/78/19/569737819.db2.gz	GMIAICOASSQWQW-HIFRSBDPSA-N	-1	3	481.531	2.106	50	5		JEBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002134461	554061554	/nfs/dbraw/zinc/06/15/54/554061554.db2.gz	MSSDGMUVLNTWOL-ZIAGYGMSSA-N	-1	3	484.512	2.071	50	5		JEBAHM
O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	ZINC000008442906	554592536	/nfs/dbraw/zinc/59/25/36/554592536.db2.gz	XZZDWHHFRAWUKG-UHFFFAOYSA-N	-1	3	456.370	2.336	50	5		JEBAHM
COc1ccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1	ZINC000009382018	555145653	/nfs/dbraw/zinc/14/56/53/555145653.db2.gz	YMGGWTNVALYFIH-UHFFFAOYSA-N	-1	3	466.479	2.444	50	5		JEBAHM
Cc1c(C(=O)N2CCCC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203495	569737395	/nfs/dbraw/zinc/73/73/95/569737395.db2.gz	VOMWMGHYDGDLOK-UHFFFAOYSA-N	-1	3	451.505	2.352	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203815	569737718	/nfs/dbraw/zinc/73/77/18/569737718.db2.gz	OSZYWRIPBYCTME-CJNGLKHVSA-N	-1	3	495.558	2.415	50	5		JEBAHM
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326843	570064965	/nfs/dbraw/zinc/06/49/65/570064965.db2.gz	MBWTUNSTIINXQH-YKSBVNFPSA-N	-1	3	479.493	2.144	50	5		JEBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1	ZINC000009284463	555057587	/nfs/dbraw/zinc/05/75/87/555057587.db2.gz	RQOFTZJMPOOHID-NRFANRHFSA-N	-1	3	490.538	2.232	50	5		JEBAHM
COc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCc2cccc([N+](=O)[O-])c2)c1	ZINC000009382015	555145680	/nfs/dbraw/zinc/14/56/80/555145680.db2.gz	IAZOKIXFYLKFDG-UHFFFAOYSA-N	-1	3	466.479	2.444	50	5		JEBAHM
Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000009670788	555388373	/nfs/dbraw/zinc/38/83/73/555388373.db2.gz	BZBKTGBGOLKVAR-CMDGGOBGSA-N	-1	3	451.432	2.114	50	5		JEBAHM
NC(=O)Cn1ccc([N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])n1	ZINC000065590028	569676091	/nfs/dbraw/zinc/67/60/91/569676091.db2.gz	JPXLZOVYCRXVOA-UHFFFAOYSA-N	-1	3	450.864	2.474	50	5		JEBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1CC	ZINC000096203548	569737641	/nfs/dbraw/zinc/73/76/41/569737641.db2.gz	KVAQEGKWWNBQLK-CYBMUJFWSA-N	-1	3	483.547	2.365	50	5		JEBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203903	569737856	/nfs/dbraw/zinc/73/78/56/569737856.db2.gz	XFDMZDOMAVRPKK-OAHLLOKOSA-N	-1	3	481.531	2.026	50	5		JEBAHM
Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000009382005	555145730	/nfs/dbraw/zinc/14/57/30/555145730.db2.gz	FNKUQEYRWQSTMA-UHFFFAOYSA-N	-1	3	493.505	2.182	50	5		JEBAHM
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1n[n-]c([N+](=O)[O-])c1Br	ZINC000019832237	555506049	/nfs/dbraw/zinc/50/60/49/555506049.db2.gz	SGHZPIBUJHICDN-UHFFFAOYSA-N	-1	3	464.280	2.015	50	5		JEBAHM
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1[n-]nc([N+](=O)[O-])c1Br	ZINC000019832237	555506052	/nfs/dbraw/zinc/50/60/52/555506052.db2.gz	SGHZPIBUJHICDN-UHFFFAOYSA-N	-1	3	464.280	2.015	50	5		JEBAHM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@H](CN1CCOCC1)c1ccccc1)OCCCO2	ZINC000032895554	556525677	/nfs/dbraw/zinc/52/56/77/556525677.db2.gz	CNVIUZLVCKVPAC-QGZVFWFLSA-N	-1	3	463.512	2.108	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203895	569737807	/nfs/dbraw/zinc/73/78/07/569737807.db2.gz	GMIAICOASSQWQW-DZGCQCFKSA-N	-1	3	481.531	2.106	50	5		JEBAHM
CCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000014943748	521700251	/nfs/dbraw/zinc/70/02/51/521700251.db2.gz	ZNBNXIPIZWJYMP-BWKNWUBXSA-N	-1	3	477.521	2.317	50	5		JEBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2c(I)cnn2C)c([N+](=O)[O-])c1	ZINC000006089794	554504125	/nfs/dbraw/zinc/50/41/25/554504125.db2.gz	MHPAMPZWUBMLBM-UHFFFAOYSA-N	-1	3	475.268	2.458	50	5		JEBAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009382040	555145907	/nfs/dbraw/zinc/14/59/07/555145907.db2.gz	OLXRQPHPIYIIBP-UHFFFAOYSA-N	-1	3	497.468	2.013	50	5		JEBAHM
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	ZINC000245326842	570064933	/nfs/dbraw/zinc/06/49/33/570064933.db2.gz	MBWTUNSTIINXQH-HYBUGGRVSA-N	-1	3	479.493	2.144	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329205	570066171	/nfs/dbraw/zinc/06/61/71/570066171.db2.gz	YFDMJGABDQTZBF-HYBUGGRVSA-N	-1	3	463.494	2.419	50	5		JEBAHM
COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)=C([O-])C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000008653658	523911317	/nfs/dbraw/zinc/91/13/17/523911317.db2.gz	JMVAKDKBTGCEPQ-LLVKDONJSA-N	-1	3	458.814	2.024	50	5		JEBAHM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@@H]43)C2=O)cc1	ZINC000014943692	524391933	/nfs/dbraw/zinc/39/19/33/524391933.db2.gz	POOGYTSAJYJEBF-AUSIDOKSSA-N	-1	3	465.466	2.390	50	5		JEBAHM
Cc1cc(NNc2c([N+](=O)[O-])cncc2[N+](=O)[O-])[nH]c(=N[N-]c2c([N+](=O)[O-])cncc2[N+](=O)[O-])n1	ZINC000008444471	554594221	/nfs/dbraw/zinc/59/42/21/554594221.db2.gz	CPJAGCOBXHQMDO-UHFFFAOYSA-N	-1	3	488.337	2.086	50	5		JEBAHM
CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000020102967	555635241	/nfs/dbraw/zinc/63/52/41/555635241.db2.gz	XOIJZOFCYGSGBT-SFHVURJKSA-N	-1	3	482.493	2.395	50	5		JEBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NCC(C)C)nn1C	ZINC000096203451	569737383	/nfs/dbraw/zinc/73/73/83/569737383.db2.gz	MYLVFFATFNQTAY-UHFFFAOYSA-N	-1	3	453.521	2.441	50	5		JEBAHM
Cc1c(C(=O)NCc2cccnc2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203499	569737455	/nfs/dbraw/zinc/73/74/55/569737455.db2.gz	WEXGZCIOFHKNFC-UHFFFAOYSA-N	-1	3	488.526	2.441	50	5		JEBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NCc2cccnc2)nn1C	ZINC000096203461	569737460	/nfs/dbraw/zinc/73/74/60/569737460.db2.gz	UVGCOPYUGYSLAL-UHFFFAOYSA-N	-1	3	488.526	2.380	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1CC	ZINC000096203549	569737565	/nfs/dbraw/zinc/73/75/65/569737565.db2.gz	KVAQEGKWWNBQLK-ZDUSSCGKSA-N	-1	3	483.547	2.365	50	5		JEBAHM
CCCNC(=O)Cn1cnc2sc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)c(C)c2c1=O	ZINC000002937431	519882242	/nfs/dbraw/zinc/88/22/42/519882242.db2.gz	VHIKWTIEMJXAAR-UHFFFAOYSA-N	-1	3	459.484	2.462	50	5		JEBAHM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000012411107	521700438	/nfs/dbraw/zinc/70/04/38/521700438.db2.gz	ZNBNXIPIZWJYMP-PXDATVDWSA-N	-1	3	477.521	2.317	50	5		JEBAHM
COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC2CC2)nn1C(C)C	ZINC000096203605	569737674	/nfs/dbraw/zinc/73/76/74/569737674.db2.gz	WHFXYLRGXMISPG-UHFFFAOYSA-N	-1	3	481.531	2.290	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203818	569737780	/nfs/dbraw/zinc/73/77/80/569737780.db2.gz	OSZYWRIPBYCTME-XJKSGUPXSA-N	-1	3	495.558	2.415	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000252430661	570080443	/nfs/dbraw/zinc/08/04/43/570080443.db2.gz	COZVZLVOMBYYJR-XMSQKQJNSA-N	-1	3	469.885	2.194	50	5		JEBAHM
O=C(c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccc([N+](=O)[O-])cc3)c(=O)[n-]2)CC1	ZINC000020444565	526790815	/nfs/dbraw/zinc/79/08/15/526790815.db2.gz	QOKOFFVTGIKBKF-UHFFFAOYSA-N	-1	3	459.466	2.491	50	5		JEBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1	ZINC000009284464	555057659	/nfs/dbraw/zinc/05/76/59/555057659.db2.gz	RQOFTZJMPOOHID-OAQYLSRUSA-N	-1	3	490.538	2.232	50	5		JEBAHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1	ZINC000013856674	555634927	/nfs/dbraw/zinc/63/49/27/555634927.db2.gz	KWJLOQVZVRFLPC-AWEZNQCLSA-N	-1	3	490.266	2.277	50	5		JEBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC[C@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)c(C)c1	ZINC000062632970	569613866	/nfs/dbraw/zinc/61/38/66/569613866.db2.gz	ZFPOVGVIDDWOCV-MRXNPFEDSA-N	-1	3	497.599	2.022	50	5		JEBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NCc2cccnc2)nn1C	ZINC000096203485	569737423	/nfs/dbraw/zinc/73/74/23/569737423.db2.gz	GMZCNUJOPUSFRG-UHFFFAOYSA-N	-1	3	474.499	2.134	50	5		JEBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCc2cccnc2)nn1C	ZINC000096203526	569737510	/nfs/dbraw/zinc/73/75/10/569737510.db2.gz	DDTLXNPKIFRZOX-UHFFFAOYSA-N	-1	3	488.526	2.442	50	5		JEBAHM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O	ZINC000020546371	555806312	/nfs/dbraw/zinc/80/63/12/555806312.db2.gz	IQIGDLUTHTUYKK-HYBUGGRVSA-N	-1	3	493.476	2.105	50	5		JEBAHM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O	ZINC000020546369	555806332	/nfs/dbraw/zinc/80/63/32/555806332.db2.gz	IQIGDLUTHTUYKK-YKSBVNFPSA-N	-1	3	493.476	2.105	50	5		JEBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1CC	ZINC000096203547	569737579	/nfs/dbraw/zinc/73/75/79/569737579.db2.gz	HGBAJTWPONPUHU-AWEZNQCLSA-N	-1	3	495.558	2.461	50	5		JEBAHM
Cc1c(C(=O)NC[C@@H]2CCCO2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203788	569737727	/nfs/dbraw/zinc/73/77/27/569737727.db2.gz	HWDJJRHBHYSVPX-HNNXBMFYSA-N	-1	3	481.531	2.025	50	5		JEBAHM
CCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230039214	570043934	/nfs/dbraw/zinc/04/39/34/570043934.db2.gz	ZNBNXIPIZWJYMP-SQJMNOBHSA-N	-1	3	477.521	2.317	50	5		JEBAHM
O=c1c2ccc3c(=O)n(-c4ccccc4O)c(=O)c4ccc(c(=O)n1-c1ccccc1[O-])c2c34	ZINC000000828299	553789531	/nfs/dbraw/zinc/78/95/31/553789531.db2.gz	LTOJBYVTUPPJNP-UHFFFAOYSA-N	-1	3	450.406	2.455	50	5		JEBAHM
Cc1cccc(-n2c(Cc3cc(=O)[n-]c(=O)[nH]3)nnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000009382004	555145646	/nfs/dbraw/zinc/14/56/46/555145646.db2.gz	NWSNPOXJUIKMQJ-UHFFFAOYSA-N	-1	3	493.505	2.182	50	5		JEBAHM
Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c([N+](=O)[O-])cc1C	ZINC000009562287	555362504	/nfs/dbraw/zinc/36/25/04/555362504.db2.gz	LPGSZEWZAYFATR-UHFFFAOYSA-N	-1	3	477.495	2.497	50	5		JEBAHM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H](CN1CCOCC1)c1ccccc1)OCCCO2	ZINC000032895553	556525659	/nfs/dbraw/zinc/52/56/59/556525659.db2.gz	CNVIUZLVCKVPAC-KRWDZBQOSA-N	-1	3	463.512	2.108	50	5		JEBAHM
CCn1nc(C(=O)N2CCOCC2)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203534	569737599	/nfs/dbraw/zinc/73/75/99/569737599.db2.gz	AOQHEMVARQPISP-UHFFFAOYSA-N	-1	3	481.531	2.071	50	5		JEBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000245329209	570066196	/nfs/dbraw/zinc/06/61/96/570066196.db2.gz	YFDMJGABDQTZBF-YKSBVNFPSA-N	-1	3	463.494	2.419	50	5		JEBAHM