smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408533025	555745681	/nfs/dbraw/zinc/74/56/81/555745681.db2.gz	JBGJAIRNGWKCAM-AWEZNQCLSA-N	-1	0	444.241	2.837	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1	ZINC000408536117	555758931	/nfs/dbraw/zinc/75/89/31/555758931.db2.gz	PUDNYLYNJSDNQN-AWEZNQCLSA-N	-1	0	431.202	2.959	40	30		IFEBRM
Cc1ccc(Nc2nc([N-]N=C3c4ccccc4NC3=O)nc(N3CCOCC3)n2)cc1	ZINC000008872821	556230001	/nfs/dbraw/zinc/23/00/01/556230001.db2.gz	SJNFZFJRCSNRRV-UHFFFAOYSA-N	-1	0	430.472	2.529	40	30		IFEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000408789713	556856250	/nfs/dbraw/zinc/85/62/50/556856250.db2.gz	RMIIJKLOVISBQT-HXUWFJFHSA-N	-1	0	435.432	2.900	40	30		IFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC	ZINC000408800785	556858295	/nfs/dbraw/zinc/85/82/95/556858295.db2.gz	QYQYFVVSENHSGI-QGOAFFKASA-N	-1	0	448.431	2.550	40	30		IFEBRM
CCOc1cc(C=NN2C(=S)N=NC2CC)cc(Br)c1OCC(=O)[O-]	ZINC000408866255	556873576	/nfs/dbraw/zinc/87/35/76/556873576.db2.gz	GRAZBRZREKKQOK-REZTVBANSA-N	-1	0	429.296	2.636	40	30		IFEBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC#N	ZINC000408994702	556913245	/nfs/dbraw/zinc/91/32/45/556913245.db2.gz	ZRZNZIJLTLGEMK-SFQUDFHCSA-N	-1	0	437.477	2.828	40	30		IFEBRM
O=C([O-])COc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1I	ZINC000409102326	556956253	/nfs/dbraw/zinc/95/62/53/556956253.db2.gz	RYGFCCHQLGAEOB-REZTVBANSA-N	-1	0	442.169	2.504	40	30		IFEBRM
C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000409136521	556969621	/nfs/dbraw/zinc/96/96/21/556969621.db2.gz	XBRCZCZRBYYNOA-VGOFMYFVSA-N	-1	0	440.271	2.981	40	30		IFEBRM
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409140343	556971897	/nfs/dbraw/zinc/97/18/97/556971897.db2.gz	RKCDGQAFLZBNJN-KPKJPENVSA-N	-1	0	426.244	2.591	40	30		IFEBRM
C=CCc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OCC)c1O[C@H](C)C(=O)[O-]	ZINC000409340856	557068445	/nfs/dbraw/zinc/06/84/45/557068445.db2.gz	BHXSMDBWGVNKLX-CQSZACIVSA-N	-1	0	437.452	2.963	40	30		IFEBRM
CC(C)N1CCN(C(=O)c2csc([N-]c3nccc([C@H]4CCCN4CC#N)n3)n2)CC1	ZINC000585294999	557270063	/nfs/dbraw/zinc/27/00/63/557270063.db2.gz	XUNGINSVYKNRGD-GOSISDBHSA-N	-1	0	440.577	2.503	40	30		IFEBRM
N#Cc1ccccc1COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000016449930	568903053	/nfs/dbraw/zinc/90/30/53/568903053.db2.gz	KDPSFPCDDKAATH-UHFFFAOYSA-N	-1	0	426.226	2.649	40	30		IFEBRM
C[C@@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c(C=[NH+][N-]c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000409335283	569585080	/nfs/dbraw/zinc/58/50/80/569585080.db2.gz	LBYWWIAYPJLGJE-ZAXZPUGQSA-N	-1	0	427.513	3.312	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1	ZINC000408538027	555774905	/nfs/dbraw/zinc/77/49/05/555774905.db2.gz	YODNLHQGZZJUGP-AWEZNQCLSA-N	-1	0	433.205	2.893	40	30		IFEBRM
C#CCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692458	556095634	/nfs/dbraw/zinc/09/56/34/556095634.db2.gz	MYQRTKYQWFNNIH-NTEUORMPSA-N	-1	0	447.285	2.874	40	30		IFEBRM
C=CCOc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000408731745	556187930	/nfs/dbraw/zinc/18/79/30/556187930.db2.gz	MUCSILOSEJEIHN-UHFFFAOYSA-N	-1	0	430.052	2.526	40	30		IFEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000225747204	556683145	/nfs/dbraw/zinc/68/31/45/556683145.db2.gz	QVGZUPQIRUXWEG-UHFFFAOYSA-N	-1	0	443.510	2.507	40	30		IFEBRM
COc1cc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc(OC)c1OC	ZINC000013568733	556697625	/nfs/dbraw/zinc/69/76/25/556697625.db2.gz	NQOQVNNXBXHXPA-UHFFFAOYSA-N	-1	0	447.494	2.923	40	30		IFEBRM
COC(=O)c1ccc(C)c(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)c1	ZINC000013568729	556697634	/nfs/dbraw/zinc/69/76/34/556697634.db2.gz	AGSXMVTYUYQHJD-UHFFFAOYSA-N	-1	0	429.479	2.993	40	30		IFEBRM
C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1I	ZINC000409135867	556969426	/nfs/dbraw/zinc/96/94/26/556969426.db2.gz	QWIJPBXPCBPYTB-KPKJPENVSA-N	-1	0	445.234	2.977	40	30		IFEBRM
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1OCC(=O)[O-]	ZINC000409308396	557056648	/nfs/dbraw/zinc/05/66/48/557056648.db2.gz	YFRCPLFATLHBLO-UHFFFAOYSA-N	-1	0	446.257	2.822	40	30		IFEBRM
C=CCc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(OCC)c1O[C@@H](C)C(=O)[O-]	ZINC000409340853	557068379	/nfs/dbraw/zinc/06/83/79/557068379.db2.gz	BHXSMDBWGVNKLX-AWEZNQCLSA-N	-1	0	437.452	2.963	40	30		IFEBRM
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409362708	557082777	/nfs/dbraw/zinc/08/27/77/557082777.db2.gz	SKFVMGUMVLKFFI-NSHDSACASA-N	-1	0	431.832	2.888	40	30		IFEBRM
C#CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000409410177	557103263	/nfs/dbraw/zinc/10/32/63/557103263.db2.gz	ZWZMBHPBGUTQTJ-WJDWOHSUSA-N	-1	0	427.254	2.931	40	30		IFEBRM
NC(=S)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(Br)cc2)c1=O	ZINC000100530599	557115116	/nfs/dbraw/zinc/11/51/16/557115116.db2.gz	SOHNMPDKOROAQA-XSFVSMFZSA-N	-1	0	447.274	2.615	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000101304949	557287043	/nfs/dbraw/zinc/28/70/43/557287043.db2.gz	KQKCHKUQKBXKAB-SCQYRGFBSA-N	-1	0	427.507	2.994	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000101304958	557287122	/nfs/dbraw/zinc/28/71/22/557287122.db2.gz	KQKCHKUQKBXKAB-UGJKGHESSA-N	-1	0	427.507	2.994	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl	ZINC000101316091	557290011	/nfs/dbraw/zinc/29/00/11/557290011.db2.gz	AGDXGPKEPIOBSG-BMIAZUDFSA-N	-1	0	448.751	2.618	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000101316870	557290560	/nfs/dbraw/zinc/29/05/60/557290560.db2.gz	NRQXCCORXAWBTA-LBDJILIJSA-N	-1	0	437.852	2.874	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000101317582	557290730	/nfs/dbraw/zinc/29/07/30/557290730.db2.gz	ZAZHEUGFCJDCFA-YMYHBSLRSA-N	-1	0	441.534	2.781	40	30		IFEBRM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000103013778	557311745	/nfs/dbraw/zinc/31/17/45/557311745.db2.gz	OOJRIZLLJVNKSY-CYBMUJFWSA-N	-1	0	433.766	2.760	40	30		IFEBRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000408594494	569286355	/nfs/dbraw/zinc/28/63/55/569286355.db2.gz	SZTRYAVOBNWUGE-FRKPEAEDSA-N	-1	0	441.827	2.777	40	30		IFEBRM
N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I	ZINC000408917251	569286635	/nfs/dbraw/zinc/28/66/35/569286635.db2.gz	PUTMNHAACMOFOF-OVCLIPMQSA-N	-1	0	445.216	2.922	40	30		IFEBRM
C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1C=[NH+][N-]c1nnn[n-]1	ZINC000409335282	569585085	/nfs/dbraw/zinc/58/50/85/569585085.db2.gz	LBYWWIAYPJLGJE-XCGVQGCYSA-N	-1	0	427.513	3.312	40	30		IFEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919138	518352836	/nfs/dbraw/zinc/35/28/36/518352836.db2.gz	JQASNYDWCUYKKR-MAERGTIASA-N	-1	0	442.556	2.887	40	30		IFEBRM
COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408533027	555745582	/nfs/dbraw/zinc/74/55/82/555745582.db2.gz	JBGJAIRNGWKCAM-CQSZACIVSA-N	-1	0	444.241	2.837	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O	ZINC000408734728	556201336	/nfs/dbraw/zinc/20/13/36/556201336.db2.gz	CQNGHXOATCSLNR-GXDHUFHOSA-N	-1	0	438.352	2.943	40	30		IFEBRM
CC(=O)Oc1c2c(c(C(C)=O)c(OC(C)=O)c1C)OC1=CC(=O)C(C(C)=O)=C([O-])[C@]21C	ZINC000017120201	556668460	/nfs/dbraw/zinc/66/84/60/556668460.db2.gz	GTSJQHYVHHHWAN-QFIPXVFZSA-N	-1	0	428.393	2.566	40	30		IFEBRM
C#CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000408800035	556858057	/nfs/dbraw/zinc/85/80/57/556858057.db2.gz	NAVISNBWHNUWOL-OQLLNIDSSA-N	-1	0	426.812	2.733	40	30		IFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)s1	ZINC000223479525	557226233	/nfs/dbraw/zinc/22/62/33/557226233.db2.gz	YHKDRJURLASRTF-UHFFFAOYSA-N	-1	0	428.561	2.764	40	30		IFEBRM
COC1CCN(C(=O)c2csc([N-]c3nccc([C@@H]4CCCN4CC#N)n3)n2)CC1	ZINC000585292747	557229974	/nfs/dbraw/zinc/22/99/74/557229974.db2.gz	AAZLTMIFBBOYOY-KRWDZBQOSA-N	-1	0	427.534	2.588	40	30		IFEBRM
CC(C)OCCNC(=O)c1csc([N-]c2nccc([C@H]3CCCN(CC#N)C3)n2)n1	ZINC000585294098	557233957	/nfs/dbraw/zinc/23/39/57/557233957.db2.gz	OAUXDFKQZOBEIP-HNNXBMFYSA-N	-1	0	429.550	2.534	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl	ZINC000101316093	557290000	/nfs/dbraw/zinc/29/00/00/557290000.db2.gz	AGDXGPKEPIOBSG-GWCPFFAYSA-N	-1	0	448.751	2.618	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl	ZINC000101316100	557290045	/nfs/dbraw/zinc/29/00/45/557290045.db2.gz	AGDXGPKEPIOBSG-XVHVMQSESA-N	-1	0	448.751	2.618	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000101316867	557290569	/nfs/dbraw/zinc/29/05/69/557290569.db2.gz	NRQXCCORXAWBTA-FXVRKMHESA-N	-1	0	437.852	2.874	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C1=O	ZINC000009233435	568818473	/nfs/dbraw/zinc/81/84/73/568818473.db2.gz	ABZUWVHBMIXIBM-LDADJPATSA-N	-1	0	449.463	2.669	40	30		IFEBRM
N#Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])cc1	ZINC000409300858	569287515	/nfs/dbraw/zinc/28/75/15/569287515.db2.gz	AQFZOUPSWZUSNV-NHCUHLMSSA-N	-1	0	440.411	2.883	40	30		IFEBRM
N#CCCn1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)c(-c2ccc(Cl)cc2)n1	ZINC000009090534	569293748	/nfs/dbraw/zinc/29/37/48/569293748.db2.gz	MCXJONHUKLMUGB-SLSPDHCBSA-N	-1	0	430.877	2.513	40	30		IFEBRM
Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101303284	524729371	/nfs/dbraw/zinc/72/93/71/524729371.db2.gz	BJHABOOODIGLSJ-OFGXNVERSA-N	-1	0	430.935	2.505	40	30		IFEBRM
CC1N=NC(=S)N1N=Cc1cc(Br)cc(I)c1[O-]	ZINC000408857298	556871091	/nfs/dbraw/zinc/87/10/91/556871091.db2.gz	FSCNFFFGUGSCOF-YIXHJXPBSA-N	-1	0	439.076	2.830	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNCc1ccccc1	ZINC000408527999	555724740	/nfs/dbraw/zinc/72/47/40/555724740.db2.gz	AOVAFNKPPJLOIK-UWOKGBPVSA-N	-1	0	447.232	2.761	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNCc1ccccc1	ZINC000408527996	555724753	/nfs/dbraw/zinc/72/47/53/555724753.db2.gz	AOVAFNKPPJLOIK-PFHZTYADSA-N	-1	0	447.232	2.761	40	30		IFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408534908	555755922	/nfs/dbraw/zinc/75/59/22/555755922.db2.gz	MWRAQHNEVOMNNM-HNNXBMFYSA-N	-1	0	444.241	2.837	40	30		IFEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)nc1	ZINC000408749904	556231573	/nfs/dbraw/zinc/23/15/73/556231573.db2.gz	JWNGSYRLMVBUSV-WCSRMQSCSA-N	-1	0	429.130	2.654	40	30		IFEBRM
CC(=O)n1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(Br)ccc21	ZINC000017023074	556653320	/nfs/dbraw/zinc/65/33/20/556653320.db2.gz	TZIWRXPVJHNMNK-XDJHFCHBSA-N	-1	0	448.189	2.975	40	30		IFEBRM
Cc1cc(C(=O)[O-])ccc1N=C1S/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)N1C	ZINC000408963058	556901829	/nfs/dbraw/zinc/90/18/29/556901829.db2.gz	MAJPAFQXOOLPGG-FIBLLSQRSA-N	-1	0	425.466	2.791	40	30		IFEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OC)c1O	ZINC000409069719	556944526	/nfs/dbraw/zinc/94/45/26/556944526.db2.gz	VRAPYDRQCBVIBS-GZTJUZNOSA-N	-1	0	436.420	2.582	40	30		IFEBRM
CCN1c2ccccc2C(=N[N-]c2nc(Nc3ccccc3)nc(N3CCCC3)n2)C1=O	ZINC000409225286	557013692	/nfs/dbraw/zinc/01/36/92/557013692.db2.gz	MRLBCKUWIKTEGZ-TURZUDJPSA-N	-1	0	428.500	2.820	40	30		IFEBRM
C#CCOc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000409410176	557103291	/nfs/dbraw/zinc/10/32/91/557103291.db2.gz	ZWZMBHPBGUTQTJ-LFIBNONCSA-N	-1	0	427.254	2.931	40	30		IFEBRM
O=C(CN1C(=O)c2cccc3cccc1c23)N=C1C=CC(=S(=O)([O-])N2CCCC2)C=C1	ZINC000409416090	557110949	/nfs/dbraw/zinc/11/09/49/557110949.db2.gz	UHLJQVNTYXAZOF-UHFFFAOYSA-N	-1	0	435.505	2.834	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000101311057	557288560	/nfs/dbraw/zinc/28/85/60/557288560.db2.gz	FVYWXXREUUDIST-LBDJILIJSA-N	-1	0	437.852	2.874	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O	ZINC000113834501	557307616	/nfs/dbraw/zinc/30/76/16/557307616.db2.gz	YSZQKZXJBQHOES-BOPFTXTBSA-N	-1	0	437.408	2.830	40	30		IFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)s1	ZINC000223621908	557331208	/nfs/dbraw/zinc/33/12/08/557331208.db2.gz	IMEHFLVAUXRREE-UHFFFAOYSA-N	-1	0	440.557	2.721	40	30		IFEBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC#N)c4ccccc34)C2=O)c(OC)c1	ZINC000107698470	569250942	/nfs/dbraw/zinc/25/09/42/569250942.db2.gz	WGHZWDVEWGLAID-GZTJUZNOSA-N	-1	0	430.420	2.848	40	30		IFEBRM
N#Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)=C2[O-])cc1	ZINC000409300861	569287502	/nfs/dbraw/zinc/28/75/02/569287502.db2.gz	AQFZOUPSWZUSNV-SFTDATJTSA-N	-1	0	440.411	2.883	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNCc1ccccc1	ZINC000408527989	555724682	/nfs/dbraw/zinc/72/46/82/555724682.db2.gz	AOVAFNKPPJLOIK-BBJIBYMTSA-N	-1	0	447.232	2.761	40	30		IFEBRM
C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)NC1=S	ZINC000408545191	555794480	/nfs/dbraw/zinc/79/44/80/555794480.db2.gz	ZSPDGHWHFTXWBX-YBEGLDIGSA-N	-1	0	435.461	2.794	40	30		IFEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	ZINC000224723215	556644988	/nfs/dbraw/zinc/64/49/88/556644988.db2.gz	XRHZBDOOPIQYEA-UHFFFAOYSA-N	-1	0	425.510	2.702	40	30		IFEBRM
N#Cc1c(=O)[n-]c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nc1-c1ccoc1	ZINC000013566160	556697443	/nfs/dbraw/zinc/69/74/43/556697443.db2.gz	DRENHNKTVNRTPF-UHFFFAOYSA-N	-1	0	428.377	2.503	40	30		IFEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000408806835	556859070	/nfs/dbraw/zinc/85/90/70/556859070.db2.gz	BYODTELSECKJPR-MHWRWJLKSA-N	-1	0	425.784	2.927	40	30		IFEBRM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408928926	556893603	/nfs/dbraw/zinc/89/36/03/556893603.db2.gz	GCWYNAQKHSCYIK-ISRHJDGYSA-N	-1	0	429.292	2.843	40	30		IFEBRM
C#CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409046776	556931264	/nfs/dbraw/zinc/93/12/64/556931264.db2.gz	LXYCECJBXRIOEK-BJMVGYQFSA-N	-1	0	430.179	2.575	40	30		IFEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409064177	556940893	/nfs/dbraw/zinc/94/08/93/556940893.db2.gz	BZWHWTHDJIVKDC-UHFFFAOYSA-N	-1	0	437.408	2.660	40	30		IFEBRM
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409081014	556947423	/nfs/dbraw/zinc/94/74/23/556947423.db2.gz	OWHWKNDHRLKEOA-JYRVWZFOSA-N	-1	0	439.873	2.761	40	30		IFEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409300033	557055280	/nfs/dbraw/zinc/05/52/80/557055280.db2.gz	WRSLIFAANRUIIG-UHFFFAOYSA-N	-1	0	433.218	2.972	40	30		IFEBRM
C[C@H](Oc1ccc(Br)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409356560	557084228	/nfs/dbraw/zinc/08/42/28/557084228.db2.gz	HZGLGESUNKPHCH-JTQLQIEISA-N	-1	0	432.230	2.599	40	30		IFEBRM
C/C(=N\N=C1/NC(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(F)cc1	ZINC000036611057	518460184	/nfs/dbraw/zinc/46/01/84/518460184.db2.gz	CYBMQMXQPCIUHQ-PZLKWIMZSA-N	-1	0	428.445	2.864	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNc1ccccc1	ZINC000408538028	555774958	/nfs/dbraw/zinc/77/49/58/555774958.db2.gz	YODNLHQGZZJUGP-CQSZACIVSA-N	-1	0	433.205	2.893	40	30		IFEBRM
C#CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408691995	556094190	/nfs/dbraw/zinc/09/41/90/556094190.db2.gz	AVKQSHJWEPMQJA-NTEUORMPSA-N	-1	0	447.285	2.874	40	30		IFEBRM
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000408789712	556856271	/nfs/dbraw/zinc/85/62/71/556856271.db2.gz	RMIIJKLOVISBQT-FQEVSTJZSA-N	-1	0	435.432	2.900	40	30		IFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	ZINC000408807996	556861385	/nfs/dbraw/zinc/86/13/85/556861385.db2.gz	IQSKVQOBAHTPNA-GZTJUZNOSA-N	-1	0	435.392	2.672	40	30		IFEBRM
Cc1c(N=C2S/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408966306	556900676	/nfs/dbraw/zinc/90/06/76/556900676.db2.gz	ZMBAVAIPFMUWKM-FIBLLSQRSA-N	-1	0	425.466	2.791	40	30		IFEBRM
CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000408961759	556901151	/nfs/dbraw/zinc/90/11/51/556901151.db2.gz	DUPBUMLZMTZCRL-RUTCVDLDSA-N	-1	0	425.466	2.873	40	30		IFEBRM
C#CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409136365	556969701	/nfs/dbraw/zinc/96/97/01/556969701.db2.gz	YTNDLHPUEJUZEB-AWNIVKPZSA-N	-1	0	426.244	2.591	40	30		IFEBRM
C#CCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000409404101	557105368	/nfs/dbraw/zinc/10/53/68/557105368.db2.gz	BYIWYJFSIOJERD-GDNBJRDFSA-N	-1	0	427.254	2.931	40	30		IFEBRM
COc1ccc(C(C)=NNC(=N)S[C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000100028652	557237585	/nfs/dbraw/zinc/23/75/85/557237585.db2.gz	MDLGMOBLTBEWRB-UXHMZNKVSA-N	-1	0	440.481	2.707	40	30		IFEBRM
O=[N+]([O-])c1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1[O-]	ZINC000059462520	557821580	/nfs/dbraw/zinc/82/15/80/557821580.db2.gz	FHLXHZBUIAUEPQ-FYJGNVAPSA-N	-1	0	436.432	2.512	40	30		IFEBRM
N#Cc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409288044	569287437	/nfs/dbraw/zinc/28/74/37/569287437.db2.gz	CCHVDFAWBCRJNE-SFTDATJTSA-N	-1	0	440.411	2.883	40	30		IFEBRM
N#Cc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409288042	569287555	/nfs/dbraw/zinc/28/75/55/569287555.db2.gz	CCHVDFAWBCRJNE-NHCUHLMSSA-N	-1	0	440.411	2.883	40	30		IFEBRM
C=CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1	ZINC000072391311	518931300	/nfs/dbraw/zinc/93/13/00/518931300.db2.gz	ZIPJFGMYAZIHJZ-VWLOTQADSA-N	-1	0	445.523	2.532	40	30		IFEBRM
CCc1nn2c(nnc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1	ZINC000040395923	522713041	/nfs/dbraw/zinc/71/30/41/522713041.db2.gz	RWQPSJYSDSGXLR-AWEZNQCLSA-N	-1	0	429.889	2.878	40	30		IFEBRM
COc1ccc(C(C)=NNC(=N)S[C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000014921434	523360155	/nfs/dbraw/zinc/36/01/55/523360155.db2.gz	MDLGMOBLTBEWRB-FZJZADEZSA-N	-1	0	440.481	2.707	40	30		IFEBRM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000408534910	555755880	/nfs/dbraw/zinc/75/58/80/555755880.db2.gz	MWRAQHNEVOMNNM-OAHLLOKOSA-N	-1	0	444.241	2.837	40	30		IFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408537977	555782881	/nfs/dbraw/zinc/78/28/81/555782881.db2.gz	YAPDPBMSAIMSKP-UGVMZYNRSA-N	-1	0	430.258	2.928	40	30		IFEBRM
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(Br)cc2)cc1	ZINC000408721333	556148356	/nfs/dbraw/zinc/14/83/56/556148356.db2.gz	OZTOLMWKXBCGTJ-JMIUGGIZSA-N	-1	0	439.277	2.813	40	30		IFEBRM
O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I	ZINC000408751443	556235105	/nfs/dbraw/zinc/23/51/05/556235105.db2.gz	ZLURGOFJVOLDTI-FMQZQXMHSA-N	-1	0	442.169	2.504	40	30		IFEBRM
C=CCOc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O	ZINC000409044978	556930339	/nfs/dbraw/zinc/93/03/39/556930339.db2.gz	FAJXGMPHYBWEEL-UHFFFAOYSA-N	-1	0	446.120	2.691	40	30		IFEBRM
CCOc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409362704	557082911	/nfs/dbraw/zinc/08/29/11/557082911.db2.gz	SKFVMGUMVLKFFI-LLVKDONJSA-N	-1	0	431.832	2.888	40	30		IFEBRM
C[C@@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)C(=O)[O-]	ZINC000409359483	557085993	/nfs/dbraw/zinc/08/59/93/557085993.db2.gz	ORNVPKOEXZQQAH-SNVBAGLBSA-N	-1	0	432.230	2.599	40	30		IFEBRM
C[C@H](Oc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Br)C(=O)[O-]	ZINC000409359480	557085995	/nfs/dbraw/zinc/08/59/95/557085995.db2.gz	ORNVPKOEXZQQAH-JTQLQIEISA-N	-1	0	432.230	2.599	40	30		IFEBRM
N#CCN1CCC[C@H](c2ccnc([N-]c3nc(C(=O)NCc4ccccn4)cs3)n2)C1	ZINC000585295045	557270170	/nfs/dbraw/zinc/27/01/70/557270170.db2.gz	YIAYWSIIGYLIIL-HNNXBMFYSA-N	-1	0	434.529	2.705	40	30		IFEBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1Br	ZINC000224882969	557662179	/nfs/dbraw/zinc/66/21/79/557662179.db2.gz	KEWVALBYOJTPLK-UHFFFAOYSA-N	-1	0	439.287	2.804	40	30		IFEBRM
CCNC(=S)N/N=C/c1cc(Br)c([O-])c(I)c1	ZINC000109635953	569262548	/nfs/dbraw/zinc/26/25/48/569262548.db2.gz	DRRMZRCTWSLPEF-LHHJGKSTSA-N	-1	0	428.093	2.577	40	30		IFEBRM
COC(=O)c1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(OC)cc3)nc2C(=O)[O-])cc1	ZINC000409202596	569287290	/nfs/dbraw/zinc/28/72/90/569287290.db2.gz	VAEFCZPNRYQXKM-XGICHPGQSA-N	-1	0	431.404	2.768	40	30		IFEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1	ZINC000013679645	518943995	/nfs/dbraw/zinc/94/39/95/518943995.db2.gz	MCBGSDUPDMLLEA-UHFFFAOYSA-N	-1	0	431.514	2.550	40	30		IFEBRM
N=C(NN=Cc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000013303554	526825197	/nfs/dbraw/zinc/82/51/97/526825197.db2.gz	VKLYWGYFHZVCQE-WPZNHYQYSA-N	-1	0	430.873	2.962	40	30		IFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408537976	555782874	/nfs/dbraw/zinc/78/28/74/555782874.db2.gz	YAPDPBMSAIMSKP-SYZMQFJCSA-N	-1	0	430.258	2.928	40	30		IFEBRM
COc1ccc(CNC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1OC	ZINC000013568709	556697583	/nfs/dbraw/zinc/69/75/83/556697583.db2.gz	DFPVRDCGYOCQMJ-UHFFFAOYSA-N	-1	0	431.495	2.593	40	30		IFEBRM
N=C(NN=Cc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000008815604	556849070	/nfs/dbraw/zinc/84/90/70/556849070.db2.gz	VKLYWGYFHZVCQE-GTQIFZCBSA-N	-1	0	430.873	2.962	40	30		IFEBRM
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408782121	556854773	/nfs/dbraw/zinc/85/47/73/556854773.db2.gz	HRGSAORTMMEFLU-CPNJWEJPSA-N	-1	0	434.448	2.942	40	30		IFEBRM
C=CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408802402	556859384	/nfs/dbraw/zinc/85/93/84/556859384.db2.gz	ZULFZGMSMIUIOZ-LDADJPATSA-N	-1	0	436.420	2.713	40	30		IFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl	ZINC000408808696	556861614	/nfs/dbraw/zinc/86/16/14/556861614.db2.gz	NAFQYKHDCTUMTQ-LFIBNONCSA-N	-1	0	438.823	2.805	40	30		IFEBRM
C=CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)NC1=S	ZINC000408902089	556882506	/nfs/dbraw/zinc/88/25/06/556882506.db2.gz	FTFCQRLVUMPQEP-XBXARRHUSA-N	-1	0	446.120	2.730	40	30		IFEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408939433	556896444	/nfs/dbraw/zinc/89/64/44/556896444.db2.gz	MNAXGZPPDOJBCZ-LFIBNONCSA-N	-1	0	425.784	2.927	40	30		IFEBRM
CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000408965177	556902502	/nfs/dbraw/zinc/90/25/02/556902502.db2.gz	UIFCVVRJUAVNNA-FIBLLSQRSA-N	-1	0	425.466	2.873	40	30		IFEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1[O-]	ZINC000408975124	556905681	/nfs/dbraw/zinc/90/56/81/556905681.db2.gz	HVPDPGRNORCOFE-RGVLZGJSSA-N	-1	0	432.872	2.785	40	30		IFEBRM
C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000409139395	556971367	/nfs/dbraw/zinc/97/13/67/556971367.db2.gz	AOUGTTWUSJGWDH-MDWZMJQESA-N	-1	0	440.271	2.981	40	30		IFEBRM
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OCC(=O)N1CCOCC1	ZINC000409203549	557002547	/nfs/dbraw/zinc/00/25/47/557002547.db2.gz	XWQKTBZBFYDYED-FMCGGJTJSA-N	-1	0	447.875	2.730	40	30		IFEBRM
C#CCOc1c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(Br)cc1OC	ZINC000409335139	557072253	/nfs/dbraw/zinc/07/22/53/557072253.db2.gz	XRHKZFPYLOALEM-SDQBBNPISA-N	-1	0	442.312	2.756	40	30		IFEBRM
Cc1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(C)n1-c1ccc(OCC(=O)[O-])cc1	ZINC000409360473	557086550	/nfs/dbraw/zinc/08/65/50/557086550.db2.gz	PSVOWVPQLLRDII-UHFFFAOYSA-N	-1	0	432.436	2.855	40	30		IFEBRM
COC1CCN(C(=O)c2csc([N-]c3nccc([C@H]4CCCN(CC#N)C4)n3)n2)CC1	ZINC000585294289	557233037	/nfs/dbraw/zinc/23/30/37/557233037.db2.gz	PGCHSIWXVJUDMU-HNNXBMFYSA-N	-1	0	441.561	2.631	40	30		IFEBRM
COC1CCN(C(=O)c2csc([N-]c3nccc([C@@H]4CCCN(CC#N)C4)n3)n2)CC1	ZINC000585294291	557233812	/nfs/dbraw/zinc/23/38/12/557233812.db2.gz	PGCHSIWXVJUDMU-OAHLLOKOSA-N	-1	0	441.561	2.631	40	30		IFEBRM
Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101303287	557286922	/nfs/dbraw/zinc/28/69/22/557286922.db2.gz	BJHABOOODIGLSJ-JOUJLLDFSA-N	-1	0	430.935	2.505	40	30		IFEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OCC(=O)[O-]	ZINC000034720873	522007087	/nfs/dbraw/zinc/00/70/87/522007087.db2.gz	YKEXFSYUKXYRNE-FXBPXSCXSA-N	-1	0	425.195	2.670	40	30		IFEBRM
COc1cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccccc2F)cc([N+](=O)[O-])c1[O-]	ZINC000016195094	556589829	/nfs/dbraw/zinc/58/98/29/556589829.db2.gz	GENGETSYCDWJLC-DNTJNYDQSA-N	-1	0	440.351	2.964	40	30		IFEBRM
C#CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000408801144	556858502	/nfs/dbraw/zinc/85/85/02/556858502.db2.gz	RPMVWLDHXPGUHX-SFQUDFHCSA-N	-1	0	438.823	2.805	40	30		IFEBRM
C#CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408801989	556858948	/nfs/dbraw/zinc/85/89/48/556858948.db2.gz	XOMUDLJSGYVUFW-LFIBNONCSA-N	-1	0	441.237	2.833	40	30		IFEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1OCC(=O)[O-]	ZINC000409071332	556945404	/nfs/dbraw/zinc/94/54/04/556945404.db2.gz	JHUDGNRWQZYESF-CNHKJKLMSA-N	-1	0	425.195	2.670	40	30		IFEBRM
C#CCOc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409328982	557063195	/nfs/dbraw/zinc/06/31/95/557063195.db2.gz	BMTPYZVBGZCBCB-KPKJPENVSA-N	-1	0	442.312	2.756	40	30		IFEBRM
CCNC(=S)N/N=C\c1cc(Br)cc(I)c1[O-]	ZINC000409374109	557090190	/nfs/dbraw/zinc/09/01/90/557090190.db2.gz	YQPZHGQEHSPXPR-RZNTYIFUSA-N	-1	0	428.093	2.577	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000101317578	557290770	/nfs/dbraw/zinc/29/07/70/557290770.db2.gz	ZAZHEUGFCJDCFA-FZVFMAQTSA-N	-1	0	441.534	2.781	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	ZINC000113833758	557307231	/nfs/dbraw/zinc/30/72/31/557307231.db2.gz	CQCJLNMRJMFZOC-BOPFTXTBSA-N	-1	0	437.408	2.830	40	30		IFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)s1	ZINC000223852905	557372944	/nfs/dbraw/zinc/37/29/44/557372944.db2.gz	JNGBQEDVKSJTIW-UHFFFAOYSA-N	-1	0	440.572	2.862	40	30		IFEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC(N)=O	ZINC000034771739	569262043	/nfs/dbraw/zinc/26/20/43/569262043.db2.gz	ZFFKJDLSWLBJIV-MWOTXQIQSA-N	-1	0	432.527	2.781	40	30		IFEBRM
N#Cc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409288043	569287524	/nfs/dbraw/zinc/28/75/24/569287524.db2.gz	CCHVDFAWBCRJNE-OYRHEFFESA-N	-1	0	440.411	2.883	40	30		IFEBRM
C/C(=N\N=C1\NC(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(F)cc1	ZINC000036611056	518461917	/nfs/dbraw/zinc/46/19/17/518461917.db2.gz	CYBMQMXQPCIUHQ-JKHIYUEESA-N	-1	0	428.445	2.864	40	30		IFEBRM
CCc1cccc(CC)c1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101317013	524067207	/nfs/dbraw/zinc/06/72/07/524067207.db2.gz	LEWICOHIROBBTQ-ZXYRZGOHSA-N	-1	0	438.571	2.668	40	30		IFEBRM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-]	ZINC000012873860	525354930	/nfs/dbraw/zinc/35/49/30/525354930.db2.gz	BISACJKFFWCVNW-OSKMNGBNSA-N	-1	0	436.570	2.607	40	30		IFEBRM
CC(=O)Oc1c2c(c(C(C)=O)c(OC(C)=O)c1C)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000001570489	555703711	/nfs/dbraw/zinc/70/37/11/555703711.db2.gz	GTSJQHYVHHHWAN-JOCHJYFZSA-N	-1	0	428.393	2.566	40	30		IFEBRM
O=C1Nc2ccccc2C1=N[N-]c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)n1	ZINC000008856212	556227534	/nfs/dbraw/zinc/22/75/34/556227534.db2.gz	YOYCFZWJYQBDBA-UHFFFAOYSA-N	-1	0	445.443	2.892	40	30		IFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000008934876	556852732	/nfs/dbraw/zinc/85/27/32/556852732.db2.gz	GRVSJZFABOQOFB-FQEVSTJZSA-N	-1	0	441.436	2.765	40	30		IFEBRM
CCOCCCNC(=O)c1csc([N-]c2nccc([C@H]3CCCN(CC#N)C3)n2)n1	ZINC000585293756	557232562	/nfs/dbraw/zinc/23/25/62/557232562.db2.gz	LVSPCXHHSRDISN-HNNXBMFYSA-N	-1	0	429.550	2.536	40	30		IFEBRM
CC(C)OCCNC(=O)c1csc([N-]c2nccc([C@@H]3CCCN(CC#N)C3)n2)n1	ZINC000585294099	557233948	/nfs/dbraw/zinc/23/39/48/557233948.db2.gz	OAUXDFKQZOBEIP-OAHLLOKOSA-N	-1	0	429.550	2.534	40	30		IFEBRM
CC(=O)n1c([O-])c(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(Br)ccc21	ZINC000104159565	557321662	/nfs/dbraw/zinc/32/16/62/557321662.db2.gz	TZIWRXPVJHNMNK-CYVLTUHYSA-N	-1	0	448.189	2.975	40	30		IFEBRM
COc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccccc3OC)nc2C(=O)[O-])cc1OC	ZINC000409196684	569287073	/nfs/dbraw/zinc/28/70/73/569287073.db2.gz	XYEGTNVGHHHZGN-NTMALXAHSA-N	-1	0	433.420	2.999	40	30		IFEBRM
Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000101303293	524728839	/nfs/dbraw/zinc/72/88/39/524728839.db2.gz	BJHABOOODIGLSJ-OTSFIGDKSA-N	-1	0	430.935	2.505	40	30		IFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408537978	555782939	/nfs/dbraw/zinc/78/29/39/555782939.db2.gz	YAPDPBMSAIMSKP-ZGFXFUDXSA-N	-1	0	430.258	2.928	40	30		IFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Br	ZINC000408797041	556857264	/nfs/dbraw/zinc/85/72/64/556857264.db2.gz	FMMMBCNZMCSUFE-XNTDXEJSSA-N	-1	0	441.237	2.833	40	30		IFEBRM
Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)N1C	ZINC000408961512	556901182	/nfs/dbraw/zinc/90/11/82/556901182.db2.gz	COJXZEUUGAGZBN-DSNGPOKLSA-N	-1	0	425.466	2.791	40	30		IFEBRM
C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)[O-])cc2Br)C1=O	ZINC000409049989	556932344	/nfs/dbraw/zinc/93/23/44/556932344.db2.gz	ZEWQUUQBKDIABZ-VGOFMYFVSA-N	-1	0	440.271	2.981	40	30		IFEBRM
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OCC(=O)[O-])c(OCC)c2)C1=O	ZINC000409078408	556948850	/nfs/dbraw/zinc/94/88/50/556948850.db2.gz	CKCIPTPLMUHYTM-GDNBJRDFSA-N	-1	0	449.481	2.506	40	30		IFEBRM
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)S1	ZINC000409078441	556948885	/nfs/dbraw/zinc/94/88/85/556948885.db2.gz	HYUPDQBWACBWPC-LCYFTJDESA-N	-1	0	436.442	2.657	40	30		IFEBRM
CN1c2ccccc2C(=N[N-]c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)C1=O	ZINC000409219623	557013201	/nfs/dbraw/zinc/01/32/01/557013201.db2.gz	SMGADRNPTUPOMV-TWKHWXDSSA-N	-1	0	436.479	2.995	40	30		IFEBRM
COC1CCN(C(=O)c2csc([N-]c3nccc([C@H]4CCCN4CC#N)n3)n2)CC1	ZINC000585292748	557230048	/nfs/dbraw/zinc/23/00/48/557230048.db2.gz	AAZLTMIFBBOYOY-QGZVFWFLSA-N	-1	0	427.534	2.588	40	30		IFEBRM
CCOCCCNC(=O)c1csc([N-]c2nccc([C@@H]3CCCN(CC#N)C3)n2)n1	ZINC000585293758	557232526	/nfs/dbraw/zinc/23/25/26/557232526.db2.gz	LVSPCXHHSRDISN-OAHLLOKOSA-N	-1	0	429.550	2.536	40	30		IFEBRM
N#CCN1CCC[C@@H](c2ccnc([N-]c3nc(C(=O)NCc4ccccn4)cs3)n2)C1	ZINC000585295046	557270124	/nfs/dbraw/zinc/27/01/24/557270124.db2.gz	YIAYWSIIGYLIIL-OAHLLOKOSA-N	-1	0	434.529	2.705	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000101316868	557290553	/nfs/dbraw/zinc/29/05/53/557290553.db2.gz	NRQXCCORXAWBTA-VSDCOVJQSA-N	-1	0	437.852	2.874	40	30		IFEBRM
CCSc1nnc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)s1	ZINC000015879923	563018269	/nfs/dbraw/zinc/01/82/69/563018269.db2.gz	YMBFCWFPNGWBTN-UHFFFAOYSA-N	-1	0	425.542	2.861	40	30		IFEBRM
COC(=O)c1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccccc3OC)nc2C(=O)[O-])cc1	ZINC000409197549	569287169	/nfs/dbraw/zinc/28/71/69/569287169.db2.gz	IMPNOFCOTWAISI-XFXZXTDPSA-N	-1	0	431.404	2.768	40	30		IFEBRM
N#Cc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCC(=O)[O-])n1	ZINC000329030813	569322016	/nfs/dbraw/zinc/32/20/16/569322016.db2.gz	QGWFSBOPLBXZHL-UHFFFAOYSA-N	-1	0	429.358	2.998	40	30		IFEBRM
C=CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2n[nH]c(=O)[n-]2)C1	ZINC000072391312	518921446	/nfs/dbraw/zinc/92/14/46/518921446.db2.gz	ZIPJFGMYAZIHJZ-RUZDIDTESA-N	-1	0	445.523	2.532	40	30		IFEBRM
COCc1nn2c(ncc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040397152	523245546	/nfs/dbraw/zinc/24/55/46/523245546.db2.gz	LLYISGKKTZRHNA-MRXNPFEDSA-N	-1	0	428.445	2.552	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)C1=CNCc1ccccc1	ZINC000408527997	555724647	/nfs/dbraw/zinc/72/46/47/555724647.db2.gz	AOVAFNKPPJLOIK-PZUDMAOCSA-N	-1	0	447.232	2.761	40	30		IFEBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1	ZINC000408536119	555758941	/nfs/dbraw/zinc/75/89/41/555758941.db2.gz	PUDNYLYNJSDNQN-CQSZACIVSA-N	-1	0	431.202	2.959	40	30		IFEBRM
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N\[O-])[C@@H]1O	ZINC000008665753	556197532	/nfs/dbraw/zinc/19/75/32/556197532.db2.gz	JPWKRBICFQIOPE-BMNIPWAFSA-N	-1	0	431.514	2.594	40	30		IFEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)s1	ZINC000224873406	556658822	/nfs/dbraw/zinc/65/88/22/556658822.db2.gz	UXINXPRFQBNAAQ-UHFFFAOYSA-N	-1	0	426.545	2.752	40	30		IFEBRM
C#CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	ZINC000408819015	556864774	/nfs/dbraw/zinc/86/47/74/556864774.db2.gz	WIIFBCQKFQPDMQ-QGOAFFKASA-N	-1	0	448.431	2.550	40	30		IFEBRM
CC/N=C1\SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(C)c(C)c3)c2O)C(=O)N1CC	ZINC000408854332	556871707	/nfs/dbraw/zinc/87/17/07/556871707.db2.gz	COGJUYXUXIWSMS-XVXGUSMJSA-N	-1	0	430.555	2.522	40	30		IFEBRM
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408930378	556894384	/nfs/dbraw/zinc/89/43/84/556894384.db2.gz	WFDZHKFUPOVIGH-VNTGNJGSSA-N	-1	0	429.292	2.843	40	30		IFEBRM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(Br)cc1OCC(=O)[O-]	ZINC000409072320	556945999	/nfs/dbraw/zinc/94/59/99/556945999.db2.gz	MZUAPRIBWIHSHZ-CNHKJKLMSA-N	-1	0	425.195	2.670	40	30		IFEBRM
C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409096159	556953143	/nfs/dbraw/zinc/95/31/43/556953143.db2.gz	JXDDARQRMGYESO-KPKJPENVSA-N	-1	0	445.234	2.977	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000101316869	557290468	/nfs/dbraw/zinc/29/04/68/557290468.db2.gz	NRQXCCORXAWBTA-OBOSGVOCSA-N	-1	0	437.852	2.874	40	30		IFEBRM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000103013776	557311858	/nfs/dbraw/zinc/31/18/58/557311858.db2.gz	OOJRIZLLJVNKSY-ZDUSSCGKSA-N	-1	0	433.766	2.760	40	30		IFEBRM
CCN=C(Nc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000101537142	568791715	/nfs/dbraw/zinc/79/17/15/568791715.db2.gz	ZZYDNTMHJLFGCZ-QGZVFWFLSA-N	-1	0	441.465	2.776	40	30		IFEBRM
COc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(OC)c(OC)c3)c(C#N)c2=O)cc1	ZINC000409197192	569287166	/nfs/dbraw/zinc/28/71/66/569287166.db2.gz	YCZHLXDWDIMORH-WMZJFQQLSA-N	-1	0	433.420	2.999	40	30		IFEBRM
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])C31CC1	ZINC000008721808	569290200	/nfs/dbraw/zinc/29/02/00/569290200.db2.gz	NTXWQPVPXPLLPV-XPZFUYTCSA-N	-1	0	432.230	2.594	40	30		IFEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl	ZINC000012378679	518319663	/nfs/dbraw/zinc/31/96/63/518319663.db2.gz	SAPDHGPNTSLGQO-GDNBJRDFSA-N	-1	0	425.784	2.927	40	30		IFEBRM
CCc1nn2c(nnc3c(=O)n([C@H](CS)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1	ZINC000040395924	522713587	/nfs/dbraw/zinc/71/35/87/522713587.db2.gz	RWQPSJYSDSGXLR-CQSZACIVSA-N	-1	0	429.889	2.878	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl	ZINC000101316097	526441266	/nfs/dbraw/zinc/44/12/66/526441266.db2.gz	AGDXGPKEPIOBSG-CGXJIKNUSA-N	-1	0	448.751	2.618	40	30		IFEBRM
COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000408537975	555782935	/nfs/dbraw/zinc/78/29/35/555782935.db2.gz	YAPDPBMSAIMSKP-FPQGOQEYSA-N	-1	0	430.258	2.928	40	30		IFEBRM
COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)S2)cc1[N+](=O)[O-]	ZINC000408989018	556909791	/nfs/dbraw/zinc/90/97/91/556909791.db2.gz	JIDSIWXWUTUWSR-PXNMLYILSA-N	-1	0	429.410	2.958	40	30		IFEBRM
C[C@@H](Oc1ccc(Br)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000409356562	557084224	/nfs/dbraw/zinc/08/42/24/557084224.db2.gz	HZGLGESUNKPHCH-SNVBAGLBSA-N	-1	0	432.230	2.599	40	30		IFEBRM
N#CCN1CCC[C@@H](c2ccnc([N-]c3nc(C(=O)NCc4cccnc4)cs3)n2)C1	ZINC000585294465	557234565	/nfs/dbraw/zinc/23/45/65/557234565.db2.gz	RRORFOWZTZINJQ-MRXNPFEDSA-N	-1	0	434.529	2.705	40	30		IFEBRM
N#CCN1CCC[C@H](c2ccnc([N-]c3nc(C(=O)NCc4cccnc4)cs3)n2)C1	ZINC000585294458	557234577	/nfs/dbraw/zinc/23/45/77/557234577.db2.gz	RRORFOWZTZINJQ-INIZCTEOSA-N	-1	0	434.529	2.705	40	30		IFEBRM
CC(C)N1CCN(C(=O)c2csc([N-]c3nccc([C@@H]4CCCN4CC#N)n3)n2)CC1	ZINC000585295000	557270183	/nfs/dbraw/zinc/27/01/83/557270183.db2.gz	XUNGINSVYKNRGD-SFHVURJKSA-N	-1	0	440.577	2.503	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000101311052	557288659	/nfs/dbraw/zinc/28/86/59/557288659.db2.gz	FVYWXXREUUDIST-FXVRKMHESA-N	-1	0	437.852	2.874	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	ZINC000113834096	557307621	/nfs/dbraw/zinc/30/76/21/557307621.db2.gz	OVLXTASBRNPTPJ-BOPFTXTBSA-N	-1	0	437.408	2.830	40	30		IFEBRM
CCN=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000008396193	568793205	/nfs/dbraw/zinc/79/32/05/568793205.db2.gz	ZZYDNTMHJLFGCZ-KRWDZBQOSA-N	-1	0	441.465	2.776	40	30		IFEBRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/[O-])[C@@H]1O	ZINC000104315547	518836916	/nfs/dbraw/zinc/83/69/16/518836916.db2.gz	JPWKRBICFQIOPE-BPYDLYRRSA-N	-1	0	431.514	2.594	40	30		IFEBRM
C=CCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O	ZINC000100502085	556846974	/nfs/dbraw/zinc/84/69/74/556846974.db2.gz	QCGFLNSWZYGLHI-UHFFFAOYSA-N	-1	0	430.464	2.943	40	30		IFEBRM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000008934875	556852693	/nfs/dbraw/zinc/85/26/93/556852693.db2.gz	GRVSJZFABOQOFB-HXUWFJFHSA-N	-1	0	441.436	2.765	40	30		IFEBRM
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC	ZINC000408800290	556858044	/nfs/dbraw/zinc/85/80/44/556858044.db2.gz	LOJZHBSOYJVXQU-SFQUDFHCSA-N	-1	0	436.420	2.713	40	30		IFEBRM
C#CCOc1cc(OC)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)OCC)cc2)C1=O	ZINC000408802912	556859615	/nfs/dbraw/zinc/85/96/15/556859615.db2.gz	JCEXPPJFNZDSAH-CPNJWEJPSA-N	-1	0	448.431	2.550	40	30		IFEBRM
C#CCOc1c(CC=C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OC	ZINC000409075848	556943840	/nfs/dbraw/zinc/94/38/40/556943840.db2.gz	USLUNRSVHAZYRZ-CPNJWEJPSA-N	-1	0	432.432	2.808	40	30		IFEBRM
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)S1	ZINC000409091659	556951799	/nfs/dbraw/zinc/95/17/99/556951799.db2.gz	RFECUQWDDLUAAK-GDNBJRDFSA-N	-1	0	449.481	2.506	40	30		IFEBRM
CN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)C1=O	ZINC000100260664	557111939	/nfs/dbraw/zinc/11/19/39/557111939.db2.gz	ZSKKHPXDJHRDOC-QOCHGBHMSA-N	-1	0	443.485	2.562	40	30		IFEBRM
Cc1ccc(Cl)cc1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101303289	557286927	/nfs/dbraw/zinc/28/69/27/557286927.db2.gz	BJHABOOODIGLSJ-MQINBFPNSA-N	-1	0	430.935	2.505	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000101304956	557287062	/nfs/dbraw/zinc/28/70/62/557287062.db2.gz	KQKCHKUQKBXKAB-LNQCCUSDSA-N	-1	0	427.507	2.994	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1	ZINC000101304952	557287168	/nfs/dbraw/zinc/28/71/68/557287168.db2.gz	KQKCHKUQKBXKAB-QNWGQDPCSA-N	-1	0	427.507	2.994	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000101311053	557288722	/nfs/dbraw/zinc/28/87/22/557288722.db2.gz	FVYWXXREUUDIST-VSDCOVJQSA-N	-1	0	437.852	2.874	40	30		IFEBRM
CCc1cccc(CC)c1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000101317007	557290515	/nfs/dbraw/zinc/29/05/15/557290515.db2.gz	LEWICOHIROBBTQ-IWUFKXHHSA-N	-1	0	438.571	2.668	40	30		IFEBRM
CCc1cccc(CC)c1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000101317009	557290548	/nfs/dbraw/zinc/29/05/48/557290548.db2.gz	LEWICOHIROBBTQ-DSTFFJFNSA-N	-1	0	438.571	2.668	40	30		IFEBRM
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N/[O-])[C@@H]1O	ZINC000104315553	557324893	/nfs/dbraw/zinc/32/48/93/557324893.db2.gz	JPWKRBICFQIOPE-OCCSSJQXSA-N	-1	0	431.514	2.594	40	30		IFEBRM
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000118919137	557493405	/nfs/dbraw/zinc/49/34/05/557493405.db2.gz	JQASNYDWCUYKKR-VMDJOOSYSA-N	-1	0	442.556	2.887	40	30		IFEBRM
C#CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000032099551	568865979	/nfs/dbraw/zinc/86/59/79/568865979.db2.gz	SJGUQRMNHXNJMS-WJDWOHSUSA-N	-1	0	427.254	2.931	40	30		IFEBRM
O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])C31CC1	ZINC000008687254	569290087	/nfs/dbraw/zinc/29/00/87/569290087.db2.gz	NTXWQPVPXPLLPV-FWCPLCFWSA-N	-1	0	432.230	2.594	40	30		IFEBRM
COCc1nn2c(ncc3c(=O)n([C@@H](CS)C(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040397150	523245861	/nfs/dbraw/zinc/24/58/61/523245861.db2.gz	LLYISGKKTZRHNA-INIZCTEOSA-N	-1	0	428.445	2.552	40	30		IFEBRM
N#CCCn1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)c(-c2ccc(Cl)cc2)n1	ZINC000012558439	526465822	/nfs/dbraw/zinc/46/58/22/526465822.db2.gz	MCXJONHUKLMUGB-SCDDIDHTSA-N	-1	0	430.877	2.513	40	30		IFEBRM
C=CCN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)S/C1=N\c1nccs1	ZINC000015979258	556570628	/nfs/dbraw/zinc/57/06/28/556570628.db2.gz	MUXUEEBRPXRRHT-BAVUERNLSA-N	-1	0	426.479	2.735	40	30		IFEBRM
CC/N=C1\SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(C)c(C)c3)c2O)C(=O)N1CC	ZINC000408854331	556871643	/nfs/dbraw/zinc/87/16/43/556871643.db2.gz	COGJUYXUXIWSMS-QADHYEPPSA-N	-1	0	430.555	2.522	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c2)C1=O	ZINC000409209443	557003125	/nfs/dbraw/zinc/00/31/25/557003125.db2.gz	FMBNBTHNJGEDAQ-XNTDXEJSSA-N	-1	0	438.396	2.829	40	30		IFEBRM
CN1c2ccccc2C(=N[N-]c2nc(Nc3ccccc3)nc(N3CCCCC3)n2)C1=O	ZINC000409226212	557014323	/nfs/dbraw/zinc/01/43/23/557014323.db2.gz	PUUVFLAXTPZGMT-TURZUDJPSA-N	-1	0	428.500	2.820	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl	ZINC000101311054	557288578	/nfs/dbraw/zinc/28/85/78/557288578.db2.gz	FVYWXXREUUDIST-OBOSGVOCSA-N	-1	0	437.852	2.874	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000101317580	557290741	/nfs/dbraw/zinc/29/07/41/557290741.db2.gz	ZAZHEUGFCJDCFA-RRQHQGNBSA-N	-1	0	441.534	2.781	40	30		IFEBRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccsc2/C(=N\[O-])[C@@H]1O	ZINC000008665752	518836888	/nfs/dbraw/zinc/83/68/88/518836888.db2.gz	JPWKRBICFQIOPE-BSLROQETSA-N	-1	0	431.514	2.594	40	30		IFEBRM
CCc1cccc(CC)c1N1/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000101317011	524067446	/nfs/dbraw/zinc/06/74/46/524067446.db2.gz	LEWICOHIROBBTQ-BUNKOAGESA-N	-1	0	438.571	2.668	40	30		IFEBRM
CCN(CC)c1ccc(CN=Nc2nc3nonc3[n-]c2=NNc2ccc(C)cc2)c(O)c1	ZINC000408721254	556148404	/nfs/dbraw/zinc/14/84/04/556148404.db2.gz	NQGGPTSUAHSXDT-QRVIBDJDSA-N	-1	0	447.503	2.602	40	30		IFEBRM
COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCC(=O)[O-]	ZINC000408748699	556230693	/nfs/dbraw/zinc/23/06/93/556230693.db2.gz	BSLNWVPPSBAUBN-FXBPXSCXSA-N	-1	0	425.195	2.670	40	30		IFEBRM
COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3[O-])S2)c(OC)c1	ZINC000014921079	556458670	/nfs/dbraw/zinc/45/86/70/556458670.db2.gz	NLGDQNAUQOSNIS-FFTIOUOVSA-N	-1	0	428.426	2.912	40	30		IFEBRM
CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])ccc1OCC(N)=O	ZINC000135847520	556721290	/nfs/dbraw/zinc/72/12/90/556721290.db2.gz	ZFFKJDLSWLBJIV-BNEJKQFASA-N	-1	0	432.527	2.781	40	30		IFEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O	ZINC000409207820	556996991	/nfs/dbraw/zinc/99/69/91/556996991.db2.gz	AOXCLSIJJVTMLD-YBEGLDIGSA-N	-1	0	437.408	2.830	40	30		IFEBRM
COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1OCC(=O)[O-]	ZINC000409307193	557059008	/nfs/dbraw/zinc/05/90/08/557059008.db2.gz	UBCJYGOYTHDETE-UHFFFAOYSA-N	-1	0	446.257	2.822	40	30		IFEBRM
N#CC=C([O-])N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1	ZINC000101317579	557290747	/nfs/dbraw/zinc/29/07/47/557290747.db2.gz	ZAZHEUGFCJDCFA-SJYAKKJOSA-N	-1	0	441.534	2.781	40	30		IFEBRM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1	ZINC000019932210	568855528	/nfs/dbraw/zinc/85/55/28/568855528.db2.gz	YBGGAKWAMKGDFF-UHFFFAOYSA-N	-1	0	429.498	2.539	40	30		IFEBRM
N#Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC(=O)[O-])n2)c1	ZINC000328980784	569321503	/nfs/dbraw/zinc/32/15/03/569321503.db2.gz	GPDKERIABXKEKA-UHFFFAOYSA-N	-1	0	429.358	2.998	40	30		IFEBRM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2nc3[nH]onc-3nc2Nc2cccc(Cl)c2)c1	ZINC000408734763	569584204	/nfs/dbraw/zinc/58/42/04/569584204.db2.gz	DHUZHXZDYUGKCH-UFWORHAWSA-N	-1	0	426.780	3.470	40	30		IFEBRM