smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2sc(-c3ccc(N4CCCC4)cc3)nc2c1	ZINC000000019640	567816396	/nfs/dbraw/zinc/81/63/96/567816396.db2.gz	XIBXHJZVEMYJKO-UHFFFAOYSA-N	0	0	280.396	4.564	40	10		CJCBRN
Fc1ccc([C@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000000037719	169513069	/nfs/dbraw/zinc/51/30/69/169513069.db2.gz	MDNOVRZDHWCOMZ-JKIFEVAISA-N	0	0	283.321	4.791	40	10		CJCBRN
CCCC1=C/C(=C/c2ccc(-c3ccccc3)o2)C(=O)O1	ZINC000000063410	169523089	/nfs/dbraw/zinc/52/30/89/169523089.db2.gz	QGIZPIHHESTBOG-OWBHPGMISA-N	0	0	280.323	4.571	40	10		CJCBRN
CCC(=S)/C=C1\Sc2ccc(Cl)cc2N1CC	ZINC000000264543	567929349	/nfs/dbraw/zinc/92/93/49/567929349.db2.gz	BBLSSFFGZOKVSN-JYRVWZFOSA-N	0	0	283.849	4.893	40	10		CJCBRN
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000000302462	567929506	/nfs/dbraw/zinc/92/95/06/567929506.db2.gz	CNOGIHIYJOKAKD-MPGHIAIKSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccccc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]21	ZINC000000972026	567931793	/nfs/dbraw/zinc/93/17/93/567931793.db2.gz	SGLXEWDVTIRORE-DFHBCGBQSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	ZINC000001053929	567931823	/nfs/dbraw/zinc/93/18/23/567931823.db2.gz	MDNOVRZDHWCOMZ-JJRVBVJISA-N	0	0	283.321	4.791	40	10		CJCBRN
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@H]21	ZINC000001102507	169690338	/nfs/dbraw/zinc/69/03/38/169690338.db2.gz	DPDVLHAMYZQEMF-VBQJREDUSA-N	0	0	298.817	4.973	40	10		CJCBRN
CCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1	ZINC000001455038	567837734	/nfs/dbraw/zinc/83/77/34/567837734.db2.gz	ASLJEXHAPBGWNK-UHFFFAOYSA-O	0	0	295.431	4.775	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21	ZINC000001461869	169707918	/nfs/dbraw/zinc/70/79/18/169707918.db2.gz	IOTCVFOATHRDOF-QWQRMKEZSA-N	0	0	296.801	4.870	40	10		CJCBRN
CCn1c(-c2ccccc2)csc1=Nc1ccccc1C	ZINC000001466208	567837716	/nfs/dbraw/zinc/83/77/16/567837716.db2.gz	ZQWNIJLTGHPQIK-UHFFFAOYSA-O	0	0	295.431	4.775	40	10		CJCBRN
CCn1c(-c2ccccc2)csc1=Nc1cccc(C)c1	ZINC000001466288	567837573	/nfs/dbraw/zinc/83/75/73/567837573.db2.gz	QCXMZDHHQULYHZ-UHFFFAOYSA-O	0	0	295.431	4.775	40	10		CJCBRN
c1cc2cccc3c2c(c1)NC(C1CCCCC1)N3	ZINC000001575685	567838473	/nfs/dbraw/zinc/83/84/73/567838473.db2.gz	IROQKXZYPCHLEF-UHFFFAOYSA-N	0	0	252.361	4.584	40	10		CJCBRN
CCC1=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@@H]2C1	ZINC000001577900	567838367	/nfs/dbraw/zinc/83/83/67/567838367.db2.gz	FROXBFFUEMSJAW-JKSUJKDBSA-N	0	0	290.362	4.581	40	10		CJCBRN
CCCCCCC1Nc2cccc3cccc(c32)N1	ZINC000001581299	567838710	/nfs/dbraw/zinc/83/87/10/567838710.db2.gz	ZWJUCBQPXPZYAH-UHFFFAOYSA-N	0	0	254.377	4.974	40	10		CJCBRN
Cc1ccc(-c2ccccc2)n1-c1cc(Cl)ccc1O	ZINC000001598118	566994028	/nfs/dbraw/zinc/99/40/28/566994028.db2.gz	PZGHJYGQDQZLOI-UHFFFAOYSA-N	0	0	283.758	4.812	40	10		CJCBRN
CC[C@@H](c1ccccc1)[C@@H](CC)c1ccc(O)c(O)c1	ZINC000001608979	567839519	/nfs/dbraw/zinc/83/95/19/567839519.db2.gz	BQIYIEVGQPMURE-HOTGVXAUSA-N	0	0	270.372	4.785	40	10		CJCBRN
CC[C@@H](c1ccc(O)c(O)c1)[C@H](CC)c1ccccc1	ZINC000001608980	567839464	/nfs/dbraw/zinc/83/94/64/567839464.db2.gz	BQIYIEVGQPMURE-CVEARBPZSA-N	0	0	270.372	4.785	40	10		CJCBRN
CC[C@@H](c1ccccc1)[C@H](CC)c1ccc(O)c(O)c1	ZINC000001608981	169724723	/nfs/dbraw/zinc/72/47/23/169724723.db2.gz	BQIYIEVGQPMURE-JKSUJKDBSA-N	0	0	270.372	4.785	40	10		CJCBRN
CC[C@H](c1ccccc1)[C@H](CC)c1ccc(O)c(O)c1	ZINC000001608982	567839252	/nfs/dbraw/zinc/83/92/52/567839252.db2.gz	BQIYIEVGQPMURE-HZPDHXFCSA-N	0	0	270.372	4.785	40	10		CJCBRN
CCCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	ZINC000001632438	567839628	/nfs/dbraw/zinc/83/96/28/567839628.db2.gz	YCNIOTOLQCJJBS-UHFFFAOYSA-N	0	0	296.458	4.751	40	10		CJCBRN
CC[C@H](c1ccc(OC)cc1)N(CC)c1ccc(OC)cc1	ZINC000001662284	567840449	/nfs/dbraw/zinc/84/04/49/567840449.db2.gz	WBYKYUZOGGOVTA-LJQANCHMSA-N	0	0	299.414	4.681	40	10		CJCBRN
CC[C@@H](c1ccc(O)c(O)c1)[C@H](CC)c1ccc(F)cc1	ZINC000001664649	567840448	/nfs/dbraw/zinc/84/04/48/567840448.db2.gz	DPJZLFPEDRCZNL-CVEARBPZSA-N	0	0	288.362	4.924	40	10		CJCBRN
CC[C@H](c1ccc(F)cc1)[C@H](CC)c1ccc(O)c(O)c1	ZINC000001664650	567840394	/nfs/dbraw/zinc/84/03/94/567840394.db2.gz	DPJZLFPEDRCZNL-HZPDHXFCSA-N	0	0	288.362	4.924	40	10		CJCBRN
CCN(CC)c1ccc(-c2nc3ccccc3s2)cc1	ZINC000001665335	566876585	/nfs/dbraw/zinc/87/65/85/566876585.db2.gz	ADRCREMWPUFGDU-UHFFFAOYSA-N	0	0	282.412	4.810	40	10		CJCBRN
Oc1ccc2ccccc2c1CNc1ccc(Cl)cc1	ZINC000001679822	567937308	/nfs/dbraw/zinc/93/73/08/567937308.db2.gz	CJSKBHKIZJSZAP-UHFFFAOYSA-N	0	0	283.758	4.811	40	10		CJCBRN
CN(C)/N=N/c1ccc(/C=C2\C=Cc3ccccc32)cc1	ZINC000001714024	567932076	/nfs/dbraw/zinc/93/20/76/567932076.db2.gz	QXOOINPVJXOXFR-ZMUVCXEASA-N	0	0	275.355	4.814	40	10		CJCBRN
CN(C)c1ccc(/C=C/c2c(F)cnc3ccccc23)cc1	ZINC000001763208	567843209	/nfs/dbraw/zinc/84/32/09/567843209.db2.gz	FVVXDBXZASBCNW-FMIVXFBMSA-N	0	0	292.357	4.610	40	10		CJCBRN
CC[C@@H](c1ccc(F)cc1)[C@@H](CC)c1ccc(O)c(O)c1	ZINC000002048448	567844522	/nfs/dbraw/zinc/84/45/22/567844522.db2.gz	DPJZLFPEDRCZNL-HOTGVXAUSA-N	0	0	288.362	4.924	40	10		CJCBRN
CC[C@@H](c1ccc(F)cc1)[C@H](CC)c1ccc(O)c(O)c1	ZINC000002048449	567844566	/nfs/dbraw/zinc/84/45/66/567844566.db2.gz	DPJZLFPEDRCZNL-JKSUJKDBSA-N	0	0	288.362	4.924	40	10		CJCBRN
Fc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000002481623	570277635	/nfs/dbraw/zinc/27/76/35/570277635.db2.gz	TYQSVLSDEJEKSY-JKIFEVAISA-N	0	0	265.331	4.652	40	10		CJCBRN
COc1cccc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000003684438	567853393	/nfs/dbraw/zinc/85/33/93/567853393.db2.gz	HLZHPANVGJGEPW-DAYGRLMNSA-N	0	0	277.367	4.522	40	10		CJCBRN
O=C1C=Cc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000003860831	567854346	/nfs/dbraw/zinc/85/43/46/567854346.db2.gz	WOTPFVNWMLFMFW-ZCXUNETKSA-N	0	0	293.282	4.869	40	10		CJCBRN
O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000003861484	169917642	/nfs/dbraw/zinc/91/76/42/169917642.db2.gz	MDLLSWJQIIAUQU-ZCXUNETKSA-N	0	0	293.282	4.869	40	10		CJCBRN
COc1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000004007959	169929156	/nfs/dbraw/zinc/92/91/56/169929156.db2.gz	HLZHPANVGJGEPW-MPGHIAIKSA-N	0	0	277.367	4.522	40	10		CJCBRN
Nc1n[nH]c(-c2ccccc2)c1N=Nc1ccccc1Cl	ZINC000004086009	567855192	/nfs/dbraw/zinc/85/51/92/567855192.db2.gz	BLRFRMRBJXUOFO-CZIZESTLSA-N	0	0	297.749	4.728	40	10		CJCBRN
Nc1nc(-c2cccs2)c(/N=N\c2ccccc2)s1	ZINC000004088286	567854973	/nfs/dbraw/zinc/85/49/73/567854973.db2.gz	XLQYITCWFAVVCO-MSUUIHNZSA-N	0	0	286.385	4.869	40	10		CJCBRN
O=C1C=CC(=NNc2ccc3ccccc3c2)C=C1[N+](=O)[O-]	ZINC000004100718	567855539	/nfs/dbraw/zinc/85/55/39/567855539.db2.gz	ZDSQRPKIPXBMII-ISLYRVAYSA-N	0	0	293.282	4.869	40	10		CJCBRN
O=C1C=CC(=NNc2ccc([N+](=O)[O-])c3ccccc23)C=C1	ZINC000004100720	567855303	/nfs/dbraw/zinc/85/53/03/567855303.db2.gz	XDECGOULVYFKHO-ISLYRVAYSA-N	0	0	293.282	4.869	40	10		CJCBRN
COc1ccc([N+](=O)[N-]c2cccc3ccccc32)cc1	ZINC000004100727	567855523	/nfs/dbraw/zinc/85/55/23/567855523.db2.gz	XOIXBINLAZFJCS-HNENSFHCSA-N	0	0	278.311	4.774	40	10		CJCBRN
COC1=CC(=NNc2ccc3ccccc3c2)C=CC1=O	ZINC000004100733	567855314	/nfs/dbraw/zinc/85/53/14/567855314.db2.gz	GROKUDWFNHFFSO-VHEBQXMUSA-N	0	0	278.311	4.969	40	10		CJCBRN
Cc1ccc(/N=N/c2ccc3oc(=O)ccc3c2)cc1	ZINC000004109573	567855441	/nfs/dbraw/zinc/85/54/41/567855441.db2.gz	YEESIYOIVCQHMN-ISLYRVAYSA-N	0	0	264.284	4.517	40	10		CJCBRN
Fc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004110489	567938121	/nfs/dbraw/zinc/93/81/21/567938121.db2.gz	TYQSVLSDEJEKSY-JJRVBVJISA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000004110491	567938073	/nfs/dbraw/zinc/93/80/73/567938073.db2.gz	TYQSVLSDEJEKSY-GRDNDAEWSA-N	0	0	265.331	4.652	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21	ZINC000004140561	169937395	/nfs/dbraw/zinc/93/73/95/169937395.db2.gz	IOTCVFOATHRDOF-SUNYJGFJSA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21	ZINC000004140562	169937526	/nfs/dbraw/zinc/93/75/26/169937526.db2.gz	IOTCVFOATHRDOF-DEYYWGMASA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21	ZINC000004140563	567932530	/nfs/dbraw/zinc/93/25/30/567932530.db2.gz	IOTCVFOATHRDOF-PMUMKWKESA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21	ZINC000004140564	567932355	/nfs/dbraw/zinc/93/23/55/567932355.db2.gz	IOTCVFOATHRDOF-IYOUNJFTSA-N	0	0	296.801	4.870	40	10		CJCBRN
Fc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004181750	169941639	/nfs/dbraw/zinc/94/16/39/169941639.db2.gz	MDNOVRZDHWCOMZ-GRDNDAEWSA-N	0	0	283.321	4.791	40	10		CJCBRN
CC(=O)Nc1ccc(/N=N\c2ccccc2C)cc1C	ZINC000004214919	169944570	/nfs/dbraw/zinc/94/45/70/169944570.db2.gz	GFMVVEHDEIYWTL-HNENSFHCSA-N	0	0	267.332	4.677	40	10		CJCBRN
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[C@H]21	ZINC000004535360	567932906	/nfs/dbraw/zinc/93/29/06/567932906.db2.gz	DPDVLHAMYZQEMF-ZQIUZPCESA-N	0	0	298.817	4.973	40	10		CJCBRN
O=[N+]([N-]c1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000004578648	567858308	/nfs/dbraw/zinc/85/83/08/567858308.db2.gz	SXCDGVDBGGCCLV-NXVVXOECSA-N	0	0	267.115	4.919	40	10		CJCBRN
CC(=O)Nc1cc(C)c(C)cc1/N=N/c1ccccc1	ZINC000004610614	567932811	/nfs/dbraw/zinc/93/28/11/567932811.db2.gz	XZRKOLTXYCJIDY-VHEBQXMUSA-N	0	0	267.332	4.677	40	10		CJCBRN
Cc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C	ZINC000004707093	170002270	/nfs/dbraw/zinc/00/22/70/170002270.db2.gz	TUPQBSLRXTUYJD-NTMALXAHSA-N	0	0	288.394	4.780	40	10		CJCBRN
Cc1cc(N)ccc1/N=N/c1ccc(Br)cc1	ZINC000004774664	170014991	/nfs/dbraw/zinc/01/49/91/170014991.db2.gz	DTLYXAPFDBWNND-WUKNDPDISA-N	0	0	290.164	4.755	40	10		CJCBRN
CCN(CC)c1ccc(/C=C\c2nc3ccccc3[nH]2)cc1	ZINC000004824575	170024645	/nfs/dbraw/zinc/02/46/45/170024645.db2.gz	IFYRZIXMGSHBHA-KAMYIIQDSA-N	0	0	291.398	4.580	40	10		CJCBRN
CN(C)c1ccc(/C=C\C=C2/C=Cc3ccccc32)cc1	ZINC000004826306	170024469	/nfs/dbraw/zinc/02/44/69/170024469.db2.gz	VHPHZHGXMQEQLQ-CWXWLJRESA-N	0	0	273.379	4.876	40	10		CJCBRN
CCCCOC(=O)Nc1c2ccccc2nc2ccccc21	ZINC000004830955	170025419	/nfs/dbraw/zinc/02/54/19/170025419.db2.gz	MPYIURLTQHJANA-UHFFFAOYSA-N	0	0	294.354	4.737	40	10		CJCBRN
CCc1ccc(C2=C/C(=C/c3ccc(C)cc3)C(=O)O2)cc1	ZINC000004852818	170030183	/nfs/dbraw/zinc/03/01/83/170030183.db2.gz	AXDRLWHSGDBCOX-PDGQHHTCSA-N	0	0	290.362	4.539	40	10		CJCBRN
O=C1OC(c2ccccc2)=C/C1=C\c1cccc2ccccc12	ZINC000004852824	170030234	/nfs/dbraw/zinc/03/02/34/170030234.db2.gz	PUSLKOZQPUBYTQ-QGOAFFKASA-N	0	0	298.341	4.821	40	10		CJCBRN
CC(C)c1ccc(C2=C/C(=C/c3cccs3)C(=O)O2)cc1	ZINC000004852833	170030273	/nfs/dbraw/zinc/03/02/73/170030273.db2.gz	NRVYAHCOWRYYAO-GDNBJRDFSA-N	0	0	296.391	4.853	40	10		CJCBRN
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	ZINC000004975191	170047725	/nfs/dbraw/zinc/04/77/25/170047725.db2.gz	CNOGIHIYJOKAKD-HDMKZQKVSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000004975192	170047647	/nfs/dbraw/zinc/04/76/47/170047647.db2.gz	CNOGIHIYJOKAKD-DAYGRLMNSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	ZINC000004975194	170047630	/nfs/dbraw/zinc/04/76/30/170047630.db2.gz	CNOGIHIYJOKAKD-RLFYNMQTSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000005155517	170071701	/nfs/dbraw/zinc/07/17/01/170071701.db2.gz	CNOGIHIYJOKAKD-VKJFTORMSA-N	0	0	265.331	4.652	40	10		CJCBRN
CN(C)c1ccc(/N=N/c2ccc(Cl)cc2)cc1	ZINC000005173001	170073792	/nfs/dbraw/zinc/07/37/92/170073792.db2.gz	WQWHNMIYCHFRJK-WUKNDPDISA-N	0	0	259.740	4.821	40	10		CJCBRN
CN(C)c1ccc(/N=N/c2ccccc2Cl)cc1	ZINC000005173007	170073427	/nfs/dbraw/zinc/07/34/27/170073427.db2.gz	AXTUMSFTJSYZOD-WUKNDPDISA-N	0	0	259.740	4.821	40	10		CJCBRN
CCCCc1ccc([N+](=O)[N-]c2ccc(OC)cc2)cc1	ZINC000005193560	170075463	/nfs/dbraw/zinc/07/54/63/170075463.db2.gz	LWPWICQRCLMVST-HNENSFHCSA-N	0	0	284.359	4.964	40	10		CJCBRN
CCN(CC)c1ccc([C@@H]2Nc3ccccc3S2)cc1	ZINC000005321980	170085520	/nfs/dbraw/zinc/08/55/20/170085520.db2.gz	PZDAADHPGBTCCU-QGZVFWFLSA-N	0	0	284.428	4.749	40	10		CJCBRN
CCN(CC)c1ccc([C@H]2Nc3ccccc3S2)cc1	ZINC000005322009	170085690	/nfs/dbraw/zinc/08/56/90/170085690.db2.gz	PZDAADHPGBTCCU-KRWDZBQOSA-N	0	0	284.428	4.749	40	10		CJCBRN
Oc1ccc(-c2ccccc2)cc1N=Nc1cccnc1	ZINC000005338511	170087491	/nfs/dbraw/zinc/08/74/91/170087491.db2.gz	OVVLPMYGGBYMIZ-FMQUCBEESA-N	0	0	275.311	4.870	40	10		CJCBRN
CC[C@@H](c1ccc(OC)cc1)N(CC)c1ccc(OC)cc1	ZINC000005422725	170097639	/nfs/dbraw/zinc/09/76/39/170097639.db2.gz	WBYKYUZOGGOVTA-IBGZPJMESA-N	0	0	299.414	4.681	40	10		CJCBRN
CN(C)c1ccc([N+](=O)[N-]c2ccc3ccccc3c2)cc1	ZINC000005549639	170112217	/nfs/dbraw/zinc/11/22/17/170112217.db2.gz	DITXVDWIAHFPKI-VZCXRCSSSA-N	0	0	291.354	4.832	40	10		CJCBRN
CC(=O)c1cccc(-n2c(C)ccc2-c2ccccc2)c1	ZINC000005589205	170116709	/nfs/dbraw/zinc/11/67/09/170116709.db2.gz	HMAICVAPBCNLIN-UHFFFAOYSA-N	0	0	275.351	4.655	40	10		CJCBRN
Cc1ccc(-c2ccccc2)n1-c1ccccc1F	ZINC000005589211	170116556	/nfs/dbraw/zinc/11/65/56/170116556.db2.gz	NXWHOAMQSOIEBO-UHFFFAOYSA-N	0	0	251.304	4.592	40	10		CJCBRN
Cc1cccc(C)c1NCc1c(O)ccc2ccccc21	ZINC000005589836	170116722	/nfs/dbraw/zinc/11/67/22/170116722.db2.gz	WTHVTPMNJBBBBW-UHFFFAOYSA-N	0	0	277.367	4.774	40	10		CJCBRN
CCc1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1	ZINC000005674306	170126758	/nfs/dbraw/zinc/12/67/58/170126758.db2.gz	UUTFOJJEWSRABS-ISLYRVAYSA-N	0	0	268.316	4.590	40	10		CJCBRN
CCOc1cccc(-n2c(C)ccc2-c2ccccc2)c1	ZINC000006870594	567938973	/nfs/dbraw/zinc/93/89/73/567938973.db2.gz	AZAVSMKQDYHCNY-UHFFFAOYSA-N	0	0	277.367	4.851	40	10		CJCBRN
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000006935413	170256551	/nfs/dbraw/zinc/25/65/51/170256551.db2.gz	PWHZFFVMEAULAM-UWVAXJGDSA-N	0	0	291.394	4.912	40	10		CJCBRN
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000006935450	170256582	/nfs/dbraw/zinc/25/65/82/170256582.db2.gz	PWHZFFVMEAULAM-HLIPFELVSA-N	0	0	291.394	4.912	40	10		CJCBRN
CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000006935688	170256487	/nfs/dbraw/zinc/25/64/87/170256487.db2.gz	QXBNULWBUYSJCY-TXPKVOOTSA-N	0	0	291.394	4.912	40	10		CJCBRN
CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000006935742	170256476	/nfs/dbraw/zinc/25/64/76/170256476.db2.gz	QXBNULWBUYSJCY-FRQCXROJSA-N	0	0	291.394	4.912	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	ZINC000006954198	567076786	/nfs/dbraw/zinc/07/67/86/567076786.db2.gz	SQDGDZBBHHJROE-GJYPPUQNSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000006954202	170258757	/nfs/dbraw/zinc/25/87/57/170258757.db2.gz	ZAHIULLYQBFCEU-GJYPPUQNSA-N	0	0	277.367	4.522	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000006954212	567077406	/nfs/dbraw/zinc/07/74/06/567077406.db2.gz	ZAUMNCCJXOSROD-BIENJYKASA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	ZINC000006954222	567076899	/nfs/dbraw/zinc/07/68/99/567076899.db2.gz	SQDGDZBBHHJROE-MDZRGWNJSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000006954228	170258886	/nfs/dbraw/zinc/25/88/86/170258886.db2.gz	ZAHIULLYQBFCEU-MDZRGWNJSA-N	0	0	277.367	4.522	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000006954238	567076968	/nfs/dbraw/zinc/07/69/68/567076968.db2.gz	ZAUMNCCJXOSROD-PJIJBLCYSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	ZINC000006954831	567077559	/nfs/dbraw/zinc/07/75/59/567077559.db2.gz	BDAXQWHUTCTILG-RLFYNMQTSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000006954836	567076536	/nfs/dbraw/zinc/07/65/36/567076536.db2.gz	HLBIICCISDPQQG-LXIYXOSZSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	ZINC000006954844	567938894	/nfs/dbraw/zinc/93/88/94/567938894.db2.gz	BDAXQWHUTCTILG-HDMKZQKVSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000006954850	570267707	/nfs/dbraw/zinc/26/77/07/570267707.db2.gz	HLBIICCISDPQQG-JCGVRSQUSA-N	0	0	295.357	4.661	40	10		CJCBRN
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21	ZINC000006963504	567078887	/nfs/dbraw/zinc/07/88/87/567078887.db2.gz	JXFJXWTVXRPKQF-DEYYWGMASA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21	ZINC000006963538	567928156	/nfs/dbraw/zinc/92/81/56/567928156.db2.gz	JXFJXWTVXRPKQF-IYOUNJFTSA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	ZINC000006967022	567078322	/nfs/dbraw/zinc/07/83/22/567078322.db2.gz	FNILAIFHIHKQEA-GJYPPUQNSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000006967025	567079900	/nfs/dbraw/zinc/07/99/00/567079900.db2.gz	IKDXJGYHRGZHSX-BIENJYKASA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	ZINC000006967027	567079648	/nfs/dbraw/zinc/07/96/48/567079648.db2.gz	FNILAIFHIHKQEA-MDZRGWNJSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000006967030	567079125	/nfs/dbraw/zinc/07/91/25/567079125.db2.gz	IKDXJGYHRGZHSX-PJIJBLCYSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	ZINC000006968654	567928243	/nfs/dbraw/zinc/92/82/43/567928243.db2.gz	HJILUEGIGWTQQF-HHXXYDBFSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	ZINC000006968659	567928162	/nfs/dbraw/zinc/92/81/62/567928162.db2.gz	VJXLDHWZVKSOGW-HHXXYDBFSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000006968663	567928240	/nfs/dbraw/zinc/92/82/40/567928240.db2.gz	RAGKRNFGJCBIFW-HHXXYDBFSA-N	0	0	261.368	4.822	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	ZINC000006968673	567928190	/nfs/dbraw/zinc/92/81/90/567928190.db2.gz	GDEMQZQCGTWUSM-WTANOLMUSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	ZINC000006968678	567928106	/nfs/dbraw/zinc/92/81/06/567928106.db2.gz	HJILUEGIGWTQQF-SZVBFZGTSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	ZINC000006968684	567928159	/nfs/dbraw/zinc/92/81/59/567928159.db2.gz	VJXLDHWZVKSOGW-SZVBFZGTSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000006968688	567928213	/nfs/dbraw/zinc/92/82/13/567928213.db2.gz	RAGKRNFGJCBIFW-SZVBFZGTSA-N	0	0	261.368	4.822	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	ZINC000006968698	567928179	/nfs/dbraw/zinc/92/81/79/567928179.db2.gz	GDEMQZQCGTWUSM-MUKKUYKPSA-N	0	0	279.358	4.961	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000007098181	567079663	/nfs/dbraw/zinc/07/96/63/567079663.db2.gz	GNHUKOQXIWVUQT-ZVZYQTTQSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)c1	ZINC000007098202	567078940	/nfs/dbraw/zinc/07/89/40/567078940.db2.gz	GNHUKOQXIWVUQT-LESCRADOSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)c1	ZINC000007098206	567079090	/nfs/dbraw/zinc/07/90/90/567079090.db2.gz	GNHUKOQXIWVUQT-HFTRVMKXSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1	ZINC000007098213	567079208	/nfs/dbraw/zinc/07/92/08/567079208.db2.gz	GNHUKOQXIWVUQT-KYJSFNMBSA-N	0	0	265.331	4.652	40	10		CJCBRN
c1ccc2sc(-c3ccc(N4CCCCC4)cc3)nc2c1	ZINC000007099501	567939010	/nfs/dbraw/zinc/93/90/10/567939010.db2.gz	BHFKKUXIVIGKEQ-UHFFFAOYSA-N	0	0	294.423	4.954	40	10		CJCBRN
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1	ZINC000008168412	170322311	/nfs/dbraw/zinc/32/23/11/170322311.db2.gz	YSPVQXGGEHZRFY-FCEWJHQRSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1	ZINC000008168423	170322459	/nfs/dbraw/zinc/32/24/59/170322459.db2.gz	FJXHWDQOMCPJPN-DAYGRLMNSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1	ZINC000008168466	170322431	/nfs/dbraw/zinc/32/24/31/170322431.db2.gz	YSPVQXGGEHZRFY-BXWFABGCSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1	ZINC000008168477	170322342	/nfs/dbraw/zinc/32/23/42/170322342.db2.gz	FJXHWDQOMCPJPN-MPGHIAIKSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21	ZINC000008169412	170322503	/nfs/dbraw/zinc/32/25/03/170322503.db2.gz	GXJOGAQANZOQCY-IQUTYRLHSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	ZINC000008169413	170322575	/nfs/dbraw/zinc/32/25/75/170322575.db2.gz	XEJLAZHQAVJFRC-VEVIJQCQSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21	ZINC000008169421	170322462	/nfs/dbraw/zinc/32/24/62/170322462.db2.gz	GXJOGAQANZOQCY-CKFHNAJUSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	ZINC000008169422	170322762	/nfs/dbraw/zinc/32/27/62/170322762.db2.gz	XEJLAZHQAVJFRC-ZJNRKIDTSA-N	0	0	295.357	4.661	40	10		CJCBRN
Cc1ccc(-c2ccccc2)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000008413149	170335473	/nfs/dbraw/zinc/33/54/73/170335473.db2.gz	VYKOYFLCBVJFEZ-UHFFFAOYSA-N	0	0	292.338	4.669	40	10		CJCBRN
Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1C	ZINC000008413386	170335160	/nfs/dbraw/zinc/33/51/60/170335160.db2.gz	GGQWFYXDTAWVDG-UHFFFAOYSA-N	0	0	292.338	4.669	40	10		CJCBRN
Cc1ccc(-c2ccccc2)n1-c1cccc(F)c1	ZINC000008413429	170335737	/nfs/dbraw/zinc/33/57/37/170335737.db2.gz	OGNCYKRCDNIBRX-UHFFFAOYSA-N	0	0	251.304	4.592	40	10		CJCBRN
Oc1ccccc1CNc1ccc(Oc2ccccc2)cc1	ZINC000008436278	534457238	/nfs/dbraw/zinc/45/72/38/534457238.db2.gz	ZHPWLZZRAORBJQ-UHFFFAOYSA-N	0	0	291.350	4.797	40	10		CJCBRN
COc1ccc(Cn2c(C)ccc2-c2ccccc2)cc1	ZINC000008550923	170339733	/nfs/dbraw/zinc/33/97/33/170339733.db2.gz	ALVYZVGORURQDO-UHFFFAOYSA-N	0	0	277.367	4.520	40	10		CJCBRN
CCC(C)(C)c1ccc(OCc2ccc(N)cc2)cc1	ZINC000011804793	170443293	/nfs/dbraw/zinc/44/32/93/170443293.db2.gz	TWCVNUXEZPJVDK-UHFFFAOYSA-N	0	0	269.388	4.535	40	10		CJCBRN
Nc1ccc(COc2ccc(-c3ccccc3)cc2)cc1	ZINC000011804799	570394597	/nfs/dbraw/zinc/39/45/97/570394597.db2.gz	APASRZJRHHYGIL-UHFFFAOYSA-N	0	0	275.351	4.515	40	10		CJCBRN
O=C1C=CC(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000012358681	570386309	/nfs/dbraw/zinc/38/63/09/570386309.db2.gz	MDLLSWJQIIAUQU-UHFFFAOYSA-N	0	0	293.282	4.869	40	10		CJCBRN
CCN(CC)c1ccc(N=Nc2ccccc2)cc1	ZINC000012359011	567082465	/nfs/dbraw/zinc/08/24/65/567082465.db2.gz	SJJISKLXUJVZOA-UHFFFAOYSA-N	0	0	253.349	4.948	40	10	in-vitro	CJCBRN
O=NNc1ccc(Sc2ccc3ccccc3c2)cn1	ZINC000012951834	170522618	/nfs/dbraw/zinc/52/26/18/170522618.db2.gz	RRYOGIKBIGWMJI-UHFFFAOYSA-N	0	0	281.340	4.859	40	10		CJCBRN
Cc1cc(/N=N/c2ccccc2)nc(-c2ccccc2)n1	ZINC000013303683	170542596	/nfs/dbraw/zinc/54/25/96/170542596.db2.gz	VCVQSOLUXAKWJE-QZQOTICOSA-N	0	0	274.327	4.867	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21	ZINC000013471277	567941608	/nfs/dbraw/zinc/94/16/08/567941608.db2.gz	IOTCVFOATHRDOF-HBUWYVDXSA-N	0	0	296.801	4.870	40	10		CJCBRN
COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000013635085	567942059	/nfs/dbraw/zinc/94/20/59/567942059.db2.gz	SVKBVHANMSXJQH-UWVAXJGDSA-N	0	0	291.394	4.830	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000014549582	567943329	/nfs/dbraw/zinc/94/33/29/567943329.db2.gz	PBFINGWXXQJMFB-GJYPPUQNSA-N	0	0	295.357	4.661	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000014549638	567943179	/nfs/dbraw/zinc/94/31/79/567943179.db2.gz	HKCREDMAGAQMHT-GJYPPUQNSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000014551267	567943263	/nfs/dbraw/zinc/94/32/63/567943263.db2.gz	GJGTTYNEULDQFE-GJYPPUQNSA-N	0	0	261.368	4.822	40	10		CJCBRN
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000014862436	567943616	/nfs/dbraw/zinc/94/36/16/567943616.db2.gz	AOJPAUSBFJWZBA-ZDVUNINMSA-N	0	0	279.343	4.697	40	10		CJCBRN
C[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000014862437	567943657	/nfs/dbraw/zinc/94/36/57/567943657.db2.gz	AOJPAUSBFJWZBA-BXHQQFBRSA-N	0	0	279.343	4.697	40	10		CJCBRN
C[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000014862438	170647505	/nfs/dbraw/zinc/64/75/05/170647505.db2.gz	AOJPAUSBFJWZBA-FYFJHLKLSA-N	0	0	279.343	4.697	40	10		CJCBRN
C[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000014862439	567943651	/nfs/dbraw/zinc/94/36/51/567943651.db2.gz	AOJPAUSBFJWZBA-RVHRBBGMSA-N	0	0	279.343	4.697	40	10		CJCBRN
Nc1ccc(Oc2ccc(SCC(F)(F)F)cc2)cc1	ZINC000016401970	170696173	/nfs/dbraw/zinc/69/61/73/170696173.db2.gz	CLIOJWVNUICMDC-UHFFFAOYSA-N	0	0	299.317	4.716	40	10		CJCBRN
Cc1cc2c(n1-c1cc(C)cc(C)c1)CC(C)(C)CC2=O	ZINC000016739555	567944246	/nfs/dbraw/zinc/94/42/46/567944246.db2.gz	CZFXJBNZTAJVBP-UHFFFAOYSA-N	0	0	281.399	4.558	40	10		CJCBRN
CN(C)/N=N/c1ccc(/C=C2/C=Cc3ccccc32)cc1	ZINC000016925405	567944458	/nfs/dbraw/zinc/94/44/58/567944458.db2.gz	QXOOINPVJXOXFR-MKBQBHTGSA-N	0	0	275.355	4.814	40	10		CJCBRN
Cc1nc(N)sc1N=Nc1ccc(Cl)cc1Cl	ZINC000016951878	567874053	/nfs/dbraw/zinc/87/40/53/567874053.db2.gz	MYBGVGFLMIRUBY-FOCLMDBBSA-N	0	0	287.175	4.586	40	10		CJCBRN
Cc1nc(N)sc1N=Nc1cccc(Cl)c1Cl	ZINC000016953653	567874002	/nfs/dbraw/zinc/87/40/02/567874002.db2.gz	BYFCNCNFZVHKBK-FOCLMDBBSA-N	0	0	287.175	4.586	40	10		CJCBRN
Cc1cc(/C=C/c2ccnc3ccccc23)ccc1N(C)C	ZINC000016991352	570226389	/nfs/dbraw/zinc/22/63/89/570226389.db2.gz	TUPQBSLRXTUYJD-CSKARUKUSA-N	0	0	288.394	4.780	40	10		CJCBRN
CCN(CC)c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1	ZINC000017014653	567934629	/nfs/dbraw/zinc/93/46/29/567934629.db2.gz	IFYRZIXMGSHBHA-SDNWHVSQSA-N	0	0	291.398	4.580	40	10		CJCBRN
CN(C)c1ccc(/C=C\c2c(F)cnc3ccccc23)cc1	ZINC000017047270	567874554	/nfs/dbraw/zinc/87/45/54/567874554.db2.gz	FVVXDBXZASBCNW-XFXZXTDPSA-N	0	0	292.357	4.610	40	10		CJCBRN
Cc1ccc2c(c1)Sc1ccc(/N=N/N(C)C)cc1N2C	ZINC000017124850	567875034	/nfs/dbraw/zinc/87/50/34/567875034.db2.gz	XBJFMQQGZHQXAZ-ISLYRVAYSA-N	0	0	298.415	4.788	40	10		CJCBRN
CN(C)c1ccc(/C=C\c2nc3ccccc3s2)cc1	ZINC000017157602	567875062	/nfs/dbraw/zinc/87/50/62/567875062.db2.gz	MVMOMSLTZMMLJR-XFXZXTDPSA-N	0	0	280.396	4.533	40	10		CJCBRN
O=[N+]([O-])c1ccc(NN=Nc2cccc3ccccc32)cc1	ZINC000017327087	570235042	/nfs/dbraw/zinc/23/50/42/570235042.db2.gz	HOSZIQGPZXDXIY-UHFFFAOYSA-N	0	0	292.298	4.859	40	10		CJCBRN
CN(C)c1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F	ZINC000017427008	567875686	/nfs/dbraw/zinc/87/56/86/567875686.db2.gz	CWFCHCMZFKIZTD-FMQUCBEESA-N	0	0	297.255	4.724	40	10		CJCBRN
C=Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1N(C)C	ZINC000017748516	527641605	/nfs/dbraw/zinc/64/16/05/527641605.db2.gz	SAVUKFFVSWXOSO-ISLYRVAYSA-N	0	0	296.330	4.719	40	10		CJCBRN
Cc1cc(/N=N/c2ccccc2)c2cccnc2c1N	ZINC000017777780	230371866	/nfs/dbraw/zinc/37/18/66/230371866.db2.gz	VBTBAMUHGMYKSN-FMQUCBEESA-N	0	0	262.316	4.541	40	10		CJCBRN
COc1ccc(/N=N/c2ccc(OC)cc2C)c(C)c1	ZINC000017820395	567876280	/nfs/dbraw/zinc/87/62/80/567876280.db2.gz	PFRACQVWCUZOPC-ISLYRVAYSA-N	0	0	270.332	4.736	40	10		CJCBRN
CNc1ccc(/N=N/c2cccc3ncccc23)cc1	ZINC000017821229	567875918	/nfs/dbraw/zinc/87/59/18/567875918.db2.gz	LJGFJKWOMPUOBR-FMQUCBEESA-N	0	0	262.316	4.692	40	10		CJCBRN
CC(=O)Nc1ccc(/N=N/c2cccc(C)c2)cc1C	ZINC000017920323	567876018	/nfs/dbraw/zinc/87/60/18/567876018.db2.gz	DHPLYJTWHQYVBW-VHEBQXMUSA-N	0	0	267.332	4.677	40	10		CJCBRN
c1cc(/N=N/c2ccccc2)n(Cc2ccccc2)c1	ZINC000017950335	567876269	/nfs/dbraw/zinc/87/62/69/567876269.db2.gz	PLAVIAPIAPCNJV-VHEBQXMUSA-N	0	0	261.328	4.952	40	10		CJCBRN
Cc1ccccc1N=Nc1sc(N)nc1-c1ccccc1	ZINC000017969456	567876050	/nfs/dbraw/zinc/87/60/50/567876050.db2.gz	WCNCGGNCFOSVPU-VXPUYCOJSA-N	0	0	294.383	4.946	40	10		CJCBRN
CCc1cc(N(C)C)ccc1/N=N/c1ccc([N+](=O)[O-])cc1	ZINC000018007368	567876141	/nfs/dbraw/zinc/87/61/41/567876141.db2.gz	NWDXABNZVRJBKA-ISLYRVAYSA-N	0	0	298.346	4.639	40	10		CJCBRN
Cc1ccc(/N=N\N(C)/N=N\c2ccc(C)cc2)cc1	ZINC000018022947	567876101	/nfs/dbraw/zinc/87/61/01/567876101.db2.gz	QYJYKVPNNJFJGE-YGGBKCGDSA-N	0	0	267.336	4.933	40	10		CJCBRN
CN(C)c1ccc(/N=N/c2ccc3ncccc3c2)cc1	ZINC000018033176	567876179	/nfs/dbraw/zinc/87/61/79/567876179.db2.gz	AJMNTQQJNZQACD-FMQUCBEESA-N	0	0	276.343	4.716	40	10		CJCBRN
CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1F	ZINC000018053891	567876657	/nfs/dbraw/zinc/87/66/57/567876657.db2.gz	TZWIGDKAODCNLW-ISLYRVAYSA-N	0	0	291.713	4.748	40	10		CJCBRN
Cc1cc(O)c(N=Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1C	ZINC000018066655	567876594	/nfs/dbraw/zinc/87/65/94/567876594.db2.gz	ILXKHBWROURBRT-ISLYRVAYSA-N	0	0	299.330	4.949	40	10		CJCBRN
CN(C)c1ccc(/N=N/c2cccc3ccoc32)cc1	ZINC000018068040	567892463	/nfs/dbraw/zinc/89/24/63/567892463.db2.gz	LHVRXAUETJRESN-ISLYRVAYSA-N	0	0	265.316	4.914	40	10	in-vitro	CJCBRN
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)F	ZINC000018098810	567876563	/nfs/dbraw/zinc/87/65/63/567876563.db2.gz	IOOZXEIYKDRVSR-FMQUCBEESA-N	0	0	293.248	4.603	40	10		CJCBRN
COc1ccc(NN=C2C=CC(=O)c3ccccc32)cc1	ZINC000018099053	170742151	/nfs/dbraw/zinc/74/21/51/170742151.db2.gz	BMIUVFWTYIHLOJ-VHEBQXMUSA-N	0	0	278.311	4.969	40	10		CJCBRN
COc1ccccc1NN=C1C(=O)C=Cc2ccccc21	ZINC000018100764	567876628	/nfs/dbraw/zinc/87/66/28/567876628.db2.gz	ALLOLPOYFRLCCX-HNENSFHCSA-N	0	0	278.311	4.969	40	10		CJCBRN
CCc1ccc(/N=N/c2c(F)c(F)c(N)c(F)c2F)cc1	ZINC000018140956	567876328	/nfs/dbraw/zinc/87/63/28/567876328.db2.gz	IYQOYJXTJWMAJV-QZQOTICOSA-N	0	0	297.255	4.803	40	10		CJCBRN
CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000018144605	567876702	/nfs/dbraw/zinc/87/67/02/567876702.db2.gz	ORGKFNDDDGAYTI-VHEBQXMUSA-N	0	0	267.332	4.841	40	10		CJCBRN
O=C(/N=N/c1ccccc1)Nc1ccc(Cl)cc1	ZINC000018158716	567876982	/nfs/dbraw/zinc/87/69/82/567876982.db2.gz	CSFBDEJNRPISAL-WUKNDPDISA-N	0	0	259.696	4.656	40	10		CJCBRN
Nc1c(Cl)cc(/N=N/c2ccccc2)cc1Cl	ZINC000018194036	567876826	/nfs/dbraw/zinc/87/68/26/567876826.db2.gz	CGFOMWCQKNHSOI-WUKNDPDISA-N	0	0	266.131	4.991	40	10		CJCBRN
CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1	ZINC000018207916	567876824	/nfs/dbraw/zinc/87/68/24/567876824.db2.gz	KZBVHPXZBKJQLJ-WUKNDPDISA-N	0	0	273.723	4.609	40	10		CJCBRN
Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2)s1	ZINC000018258628	567876900	/nfs/dbraw/zinc/87/69/00/567876900.db2.gz	LVGMTUUJQJESMM-VHEBQXMUSA-N	0	0	280.356	4.808	40	10		CJCBRN
Fc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000019893258	567945108	/nfs/dbraw/zinc/94/51/08/567945108.db2.gz	TYQSVLSDEJEKSY-CKEIUWERSA-N	0	0	265.331	4.652	40	10		CJCBRN
Cc1cccc(NCc2cc(Cl)cc(Cl)c2[O-])c1C	ZINC000020016490	570290723	/nfs/dbraw/zinc/29/07/23/570290723.db2.gz	GMVHBMBDVBGJKP-UHFFFAOYSA-N	0	0	296.197	4.928	40	10		CJCBRN
CN(C)c1ccc(CNc2ccc(Cl)cc2Cl)cc1	ZINC000020562424	171252477	/nfs/dbraw/zinc/25/24/77/171252477.db2.gz	CVDIELITJALCJV-UHFFFAOYSA-N	0	0	295.213	4.672	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]21	ZINC000020749043	567947091	/nfs/dbraw/zinc/94/70/91/567947091.db2.gz	GXJOGAQANZOQCY-PJIJBLCYSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21	ZINC000020749285	567947132	/nfs/dbraw/zinc/94/71/32/567947132.db2.gz	XEJLAZHQAVJFRC-SNUQEOBHSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)c1	ZINC000020755080	567943793	/nfs/dbraw/zinc/94/37/93/567943793.db2.gz	YSPVQXGGEHZRFY-MDZRGWNJSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1	ZINC000020755357	567947139	/nfs/dbraw/zinc/94/71/39/567947139.db2.gz	FJXHWDQOMCPJPN-RKVPGOIHSA-N	0	0	295.357	4.661	40	10		CJCBRN
CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000020757785	171271541	/nfs/dbraw/zinc/27/15/41/171271541.db2.gz	QXBNULWBUYSJCY-JTDSTZFVSA-N	0	0	291.394	4.912	40	10		CJCBRN
CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000020757789	171271693	/nfs/dbraw/zinc/27/16/93/171271693.db2.gz	QXBNULWBUYSJCY-GPMSIDNRSA-N	0	0	291.394	4.912	40	10		CJCBRN
Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1O	ZINC000021517957	171314169	/nfs/dbraw/zinc/31/41/69/171314169.db2.gz	ZCZWBKRRKORFHY-UHFFFAOYSA-N	0	0	282.170	4.620	40	10		CJCBRN
CCn1c(-c2ccccc2)csc1=Nc1ccc(C)cc1	ZINC000026570006	570232235	/nfs/dbraw/zinc/23/22/35/570232235.db2.gz	BCBKXWKSEMTZCO-UHFFFAOYSA-O	0	0	295.431	4.775	40	10		CJCBRN
CC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	ZINC000032128221	567886001	/nfs/dbraw/zinc/88/60/01/567886001.db2.gz	YMGLQZWRMDATAO-UHFFFAOYSA-N	0	0	282.170	4.604	40	10		CJCBRN
COc1ccccc1/N=N/c1ccc(Br)cc1	ZINC000032224458	567886136	/nfs/dbraw/zinc/88/61/36/567886136.db2.gz	UDNAOKMKOHEGDC-FOCLMDBBSA-N	0	0	291.148	4.873	40	10		CJCBRN
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	ZINC000033704567	570380819	/nfs/dbraw/zinc/38/08/19/570380819.db2.gz	WTKTZRABUXKRHF-APIJFGDWSA-N	0	0	297.829	4.801	40	10		CJCBRN
Cc1ccc(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000035120129	567849285	/nfs/dbraw/zinc/84/92/85/567849285.db2.gz	QRSLEOWUWJBCTM-UHFFFAOYSA-N	0	0	273.685	4.766	40	10		CJCBRN
CCCCOc1ccc(NN=C2C=C(O)C=CC2=O)cc1	ZINC000035585914	172284887	/nfs/dbraw/zinc/28/48/87/172284887.db2.gz	AKDKFKWUEYZZMZ-ISLYRVAYSA-N	0	0	286.331	4.692	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	ZINC000036235160	567861100	/nfs/dbraw/zinc/86/11/00/567861100.db2.gz	CNOGIHIYJOKAKD-RVKKMQEKSA-N	0	0	265.331	4.652	40	10		CJCBRN
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	ZINC000058850586	256796756	/nfs/dbraw/zinc/79/67/56/256796756.db2.gz	FRMLOSBBKIIHEG-IIYDPXPESA-N	0	0	282.774	4.562	40	10		CJCBRN
Clc1cccc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	ZINC000058850714	567956249	/nfs/dbraw/zinc/95/62/49/567956249.db2.gz	CXPMDAPCCGFGPX-PLQHRBFRSA-N	0	0	282.774	4.562	40	10		CJCBRN
Clc1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	ZINC000058850717	567956226	/nfs/dbraw/zinc/95/62/26/567956226.db2.gz	FBPZFYDMCSFVKP-WWGRRREGSA-N	0	0	282.774	4.562	40	10		CJCBRN
Clc1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21	ZINC000058850721	567956174	/nfs/dbraw/zinc/95/61/74/567956174.db2.gz	WMPQDDQHBNPADT-WWGRRREGSA-N	0	0	282.774	4.562	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	ZINC000058850870	567956123	/nfs/dbraw/zinc/95/61/23/567956123.db2.gz	CEUCPHWLQYFMIN-FHSNZYRGSA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	ZINC000058850883	567956315	/nfs/dbraw/zinc/95/63/15/567956315.db2.gz	WMFFBAOSSOOBTP-GLJUWKHASA-N	0	0	296.801	4.870	40	10		CJCBRN
COc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000058928470	567956297	/nfs/dbraw/zinc/95/62/97/567956297.db2.gz	FVXRAHBRAFLJKV-IEZWGBDMSA-N	0	0	277.367	4.522	40	10		CJCBRN
CCOc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000058928472	256796769	/nfs/dbraw/zinc/79/67/69/256796769.db2.gz	SITFEYNJJVZMFJ-QRFRQXIXSA-N	0	0	291.394	4.912	40	10		CJCBRN
O=C1C=CC2=CC=CC(=NNc3ccc([N+](=O)[O-])cc3)C2=C1	ZINC000068601073	567901114	/nfs/dbraw/zinc/90/11/14/567901114.db2.gz	VCDKKBWEWUKJRG-ISLYRVAYSA-N	0	0	293.282	4.869	40	10		CJCBRN
CCOc1cccc(C2Nc3cccc4cccc(c43)N2)c1	ZINC000070453937	567118351	/nfs/dbraw/zinc/11/83/51/567118351.db2.gz	ZPIDAXAOBYQWMX-UHFFFAOYSA-N	0	0	290.366	4.775	40	10		CJCBRN
Fc1ccc(C2Nc3cccc4cccc(c43)N2)cc1F	ZINC000070453985	567118498	/nfs/dbraw/zinc/11/84/98/567118498.db2.gz	POGADOZZPKFZEO-UHFFFAOYSA-N	0	0	282.293	4.654	40	10		CJCBRN
Fc1ccc(C2Nc3cccc4cccc(c43)N2)c(F)c1	ZINC000070453986	567118392	/nfs/dbraw/zinc/11/83/92/567118392.db2.gz	PLBYQTLKPAWRNN-UHFFFAOYSA-N	0	0	282.293	4.654	40	10		CJCBRN
Fc1cccc(F)c1C1Nc2cccc3cccc(c32)N1	ZINC000070453989	567118857	/nfs/dbraw/zinc/11/88/57/567118857.db2.gz	LHHVVMKQWXJYEH-UHFFFAOYSA-N	0	0	282.293	4.654	40	10		CJCBRN
Cc1c(Cl)cccc1NN=C1C=CC(=O)C(C=O)=C1	ZINC000070461975	566865837	/nfs/dbraw/zinc/86/58/37/566865837.db2.gz	XLWGDQYLEBVZKG-WUKNDPDISA-N	0	0	274.707	4.582	40	10		CJCBRN
Cc1cc(Cl)ccc1NN=C1C=CC(=O)C(C=O)=C1	ZINC000070461978	175943477	/nfs/dbraw/zinc/94/34/77/175943477.db2.gz	KFIQVQJIZGQCSU-WUKNDPDISA-N	0	0	274.707	4.582	40	10		CJCBRN
O=C1C=CC(=NNc2ccc(Cl)c(Cl)c2)C=C1CO	ZINC000070462743	566866411	/nfs/dbraw/zinc/86/64/11/566866411.db2.gz	RSLABEXYGFUJPC-WUKNDPDISA-N	0	0	297.141	4.607	40	10		CJCBRN
O=CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=CC1=O	ZINC000070462744	566865376	/nfs/dbraw/zinc/86/53/76/566865376.db2.gz	JGQPWSKEIUSHBJ-WUKNDPDISA-N	0	0	295.125	4.927	40	10		CJCBRN
CC(=O)c1ccc(N=Nc2ccc(C(C)=O)cc2)cc1	ZINC000071256924	176095908	/nfs/dbraw/zinc/09/59/08/176095908.db2.gz	YLDZLMYBCBYPPZ-ISLYRVAYSA-N	0	0	266.300	4.507	40	10		CJCBRN
Cc1ccccc1C(=S)SCc1ccccc1	ZINC000071256980	176095872	/nfs/dbraw/zinc/09/58/72/176095872.db2.gz	KKNMJQKDOQWHRS-UHFFFAOYSA-N	0	0	258.411	4.604	40	10		CJCBRN
Cc1ccc(C(=S)SCc2ccccc2)cc1	ZINC000071256981	176095830	/nfs/dbraw/zinc/09/58/30/176095830.db2.gz	XEFQYDJMGWTVNB-UHFFFAOYSA-N	0	0	258.411	4.604	40	10		CJCBRN
S=C(SCc1ccccc1)c1ccc(Cl)cc1	ZINC000071256985	176095804	/nfs/dbraw/zinc/09/58/04/176095804.db2.gz	NTEOVSMTYUCTKA-UHFFFAOYSA-N	0	0	278.829	4.949	40	10		CJCBRN
Cc1c(N)ccc(/N=N/c2ccc(C(C)C)cc2)c1N	ZINC000073740082	176490041	/nfs/dbraw/zinc/49/00/41/176490041.db2.gz	MYINCIWPINKLKF-FMQUCBEESA-N	0	0	268.364	4.698	40	10		CJCBRN
CCCCc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1	ZINC000073740084	567890264	/nfs/dbraw/zinc/89/02/64/567890264.db2.gz	KFXARUCAJXHVEC-QZQOTICOSA-N	0	0	282.391	4.917	40	10		CJCBRN
Cc1c(N)ccc(/N=N/c2cccc3ccccc32)c1N	ZINC000073740100	567890344	/nfs/dbraw/zinc/89/03/44/567890344.db2.gz	PAECBFLBNSSKCP-QZQOTICOSA-N	0	0	276.343	4.728	40	10		CJCBRN
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	ZINC000084670353	570236493	/nfs/dbraw/zinc/23/64/93/570236493.db2.gz	UECZQRXLMRLBLW-KEYYUXOJSA-N	0	0	283.321	4.791	40	10		CJCBRN
Cc1ccc(-c2ccc(F)cc2)n1-c1ccccc1	ZINC000090558220	260302402	/nfs/dbraw/zinc/30/24/02/260302402.db2.gz	PHHUDEYEGBXDTH-UHFFFAOYSA-N	0	0	251.304	4.592	40	10		CJCBRN
Cc1cc(/N=N\c2ccccc2)nc(-c2ccccc2)n1	ZINC000095276451	570317975	/nfs/dbraw/zinc/31/79/75/570317975.db2.gz	VCVQSOLUXAKWJE-MRCUWXFGSA-N	0	0	274.327	4.867	40	10		CJCBRN
O=[N+]([O-])c1ccccc1N=Nc1c(O)ccc2ccccc21	ZINC000095918530	185031240	/nfs/dbraw/zinc/03/12/40/185031240.db2.gz	YTVNZOABECTEPK-ZCXUNETKSA-N	0	0	293.282	4.869	40	10		CJCBRN
COC1=CC(=NNc2ccccc2)C(=O)c2ccccc21	ZINC000100020046	185701354	/nfs/dbraw/zinc/70/13/54/185701354.db2.gz	BXLAAHNBFBOJPG-VHEBQXMUSA-N	0	0	278.311	4.969	40	10		CJCBRN
CCCCc1ccc([N+](=O)[N-]c2ccc(OC)cc2)cc1	ZINC000100056995	185703290	/nfs/dbraw/zinc/70/32/90/185703290.db2.gz	LWPWICQRCLMVST-VHEBQXMUSA-N	0	0	284.359	4.964	40	10		CJCBRN
O=[N+]([N-]c1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000100062085	185703719	/nfs/dbraw/zinc/70/37/19/185703719.db2.gz	SXCDGVDBGGCCLV-FOCLMDBBSA-N	0	0	267.115	4.919	40	10		CJCBRN
CN(C)c1ccc(/N=N\c2cccc3ccoc32)cc1	ZINC000100133307	567912320	/nfs/dbraw/zinc/91/23/20/567912320.db2.gz	LHVRXAUETJRESN-ZCXUNETKSA-N	0	0	265.316	4.914	40	10	in-vitro	CJCBRN
CCc1ccc(/N=N\c2c(F)c(F)c(N)c(F)c2F)cc1	ZINC000100278233	567912639	/nfs/dbraw/zinc/91/26/39/567912639.db2.gz	IYQOYJXTJWMAJV-MRCUWXFGSA-N	0	0	297.255	4.803	40	10		CJCBRN
Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1	ZINC000100555890	567936836	/nfs/dbraw/zinc/93/68/36/567936836.db2.gz	YTVRQRQLAUYEKJ-ISLYRVAYSA-N	0	0	251.289	4.597	40	10		CJCBRN
COC1=CC(=O)C(=NNc2ccc3ccccc3c2)C=C1	ZINC000100717099	567913739	/nfs/dbraw/zinc/91/37/39/567913739.db2.gz	SSZAIJWRZRKITC-VHEBQXMUSA-N	0	0	278.311	4.969	40	10		CJCBRN
Cc1ccc(NN=C2C=CC(=O)C=C2)c(Br)c1	ZINC000100717101	567913701	/nfs/dbraw/zinc/91/37/01/567913701.db2.gz	YIDMWLUFNVJJHD-FOCLMDBBSA-N	0	0	291.148	4.879	40	10		CJCBRN
COc1cccc(NN=C2C=Cc3ccccc3C2=O)c1	ZINC000100717104	567913664	/nfs/dbraw/zinc/91/36/64/567913664.db2.gz	NYYNVKONGLWQQD-VHEBQXMUSA-N	0	0	278.311	4.969	40	10		CJCBRN
COc1ccccc1/N=N\c1ccc(Br)cc1	ZINC000100854687	567913915	/nfs/dbraw/zinc/91/39/15/567913915.db2.gz	UDNAOKMKOHEGDC-NXVVXOECSA-N	0	0	291.148	4.873	40	10		CJCBRN
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H]21	ZINC000101267475	567937252	/nfs/dbraw/zinc/93/72/52/567937252.db2.gz	DPDVLHAMYZQEMF-KEYYUXOJSA-N	0	0	298.817	4.973	40	10		CJCBRN
Cc1ccc(NN=C2C=CC(=O)C(C=O)=C2)cc1Cl	ZINC000101404256	567914847	/nfs/dbraw/zinc/91/48/47/567914847.db2.gz	GRHZDNWTHJDWFC-MSUUIHNZSA-N	0	0	274.707	4.582	40	10		CJCBRN
CCOC(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000102381638	185776182	/nfs/dbraw/zinc/77/61/82/185776182.db2.gz	MEKVKTVRSAZYFR-ZCXUNETKSA-N	0	0	269.304	4.670	40	10		CJCBRN
CNc1ccc(/N=N\c2cccc3ncccc23)cc1	ZINC000102815737	570259833	/nfs/dbraw/zinc/25/98/33/570259833.db2.gz	LJGFJKWOMPUOBR-VXPUYCOJSA-N	0	0	262.316	4.692	40	10		CJCBRN
COc1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1	ZINC000103295767	185827140	/nfs/dbraw/zinc/82/71/40/185827140.db2.gz	XYVPTQBXFHRJJR-HNENSFHCSA-N	0	0	278.311	4.969	40	10		CJCBRN
CCc1cc(N(C)C)ccc1/N=N\c1ccc([N+](=O)[O-])cc1	ZINC000104039268	567915754	/nfs/dbraw/zinc/91/57/54/567915754.db2.gz	NWDXABNZVRJBKA-ZCXUNETKSA-N	0	0	298.346	4.639	40	10		CJCBRN
O=[N+]([N-]c1ccccc1Cl)c1ccccc1Cl	ZINC000104054177	185887351	/nfs/dbraw/zinc/88/73/51/185887351.db2.gz	NKUNBLUACJUHOA-UHFFFAOYSA-N	0	0	267.115	4.919	40	10		CJCBRN
CN(C)c1c(F)c(F)c(/N=N\c2ccccc2)c(F)c1F	ZINC000104091550	567915968	/nfs/dbraw/zinc/91/59/68/567915968.db2.gz	CWFCHCMZFKIZTD-VXPUYCOJSA-N	0	0	297.255	4.724	40	10		CJCBRN
c1cc(/N=N\c2ccccc2)n(Cc2ccccc2)c1	ZINC000104092127	567915959	/nfs/dbraw/zinc/91/59/59/567915959.db2.gz	PLAVIAPIAPCNJV-HNENSFHCSA-N	0	0	261.328	4.952	40	10		CJCBRN
COc1ccc(/N=N\c2ccc(OC)cc2C)c(C)c1	ZINC000104092556	567915872	/nfs/dbraw/zinc/91/58/72/567915872.db2.gz	PFRACQVWCUZOPC-ZCXUNETKSA-N	0	0	270.332	4.736	40	10		CJCBRN
Cc1ccccc1N=Nc1sc(N)nc1-c1ccccc1	ZINC000104108798	567916058	/nfs/dbraw/zinc/91/60/58/567916058.db2.gz	WCNCGGNCFOSVPU-FMQUCBEESA-N	0	0	294.383	4.946	40	10		CJCBRN
Cc1nc(N)sc1N=Nc1ccc(Cl)cc1Cl	ZINC000104125005	567916011	/nfs/dbraw/zinc/91/60/11/567916011.db2.gz	MYBGVGFLMIRUBY-NXVVXOECSA-N	0	0	287.175	4.586	40	10		CJCBRN
Cc1nc(N)sc1N=Nc1cccc(Cl)c1Cl	ZINC000104128571	567916071	/nfs/dbraw/zinc/91/60/71/567916071.db2.gz	BYFCNCNFZVHKBK-NXVVXOECSA-N	0	0	287.175	4.586	40	10		CJCBRN
Cc1cc(/N=N\c2ccccc2)c2cccnc2c1N	ZINC000104149280	567916004	/nfs/dbraw/zinc/91/60/04/567916004.db2.gz	VBTBAMUHGMYKSN-VXPUYCOJSA-N	0	0	262.316	4.541	40	10		CJCBRN
Cc1cc(O)c(N=Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1C	ZINC000104194397	567916398	/nfs/dbraw/zinc/91/63/98/567916398.db2.gz	ILXKHBWROURBRT-ZCXUNETKSA-N	0	0	299.330	4.949	40	10		CJCBRN
Cc1ccc2c(c1)Sc1ccc(/N=N\N(C)C)cc1N2C	ZINC000104212075	567916405	/nfs/dbraw/zinc/91/64/05/567916405.db2.gz	XBJFMQQGZHQXAZ-ZCXUNETKSA-N	0	0	298.415	4.788	40	10		CJCBRN
CCC1=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@@H]2C1	ZINC000104219566	567916352	/nfs/dbraw/zinc/91/63/52/567916352.db2.gz	FROXBFFUEMSJAW-HZPDHXFCSA-N	0	0	290.362	4.581	40	10		CJCBRN
CCC1=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]2C1	ZINC000104219571	567916300	/nfs/dbraw/zinc/91/63/00/567916300.db2.gz	FROXBFFUEMSJAW-CVEARBPZSA-N	0	0	290.362	4.581	40	10		CJCBRN
CCC1=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]2C1	ZINC000104219575	567916345	/nfs/dbraw/zinc/91/63/45/567916345.db2.gz	FROXBFFUEMSJAW-HOTGVXAUSA-N	0	0	290.362	4.581	40	10		CJCBRN
O=C1C=Cc2ccccc2C1=NNc1ccccc1O	ZINC000104219630	185934906	/nfs/dbraw/zinc/93/49/06/185934906.db2.gz	QFHZPBSLCHTFBB-ZCXUNETKSA-N	0	0	264.284	4.666	40	10		CJCBRN
O=C(/N=N\c1ccccc1)Nc1ccc(Cl)cc1	ZINC000104224947	230393539	/nfs/dbraw/zinc/39/35/39/230393539.db2.gz	CSFBDEJNRPISAL-MSUUIHNZSA-N	0	0	259.696	4.656	40	10		CJCBRN
O=C1C=CC(=NNc2ccc(O)c(Cl)c2)C=C1Cl	ZINC000104251082	567916518	/nfs/dbraw/zinc/91/65/18/567916518.db2.gz	WTIAICHPBWPDQK-NXVVXOECSA-N	0	0	283.114	4.820	40	10		CJCBRN
Cc1cc(N)ccc1/N=N\c1ccc(Br)cc1	ZINC000104260759	567916544	/nfs/dbraw/zinc/91/65/44/567916544.db2.gz	DTLYXAPFDBWNND-MSUUIHNZSA-N	0	0	290.164	4.755	40	10		CJCBRN
CN(C)c1ccc([N+](=O)[N-]c2ccc3ccccc3c2)cc1	ZINC000104270776	185949754	/nfs/dbraw/zinc/94/97/54/185949754.db2.gz	DITXVDWIAHFPKI-XUTLUUPISA-N	0	0	291.354	4.832	40	10		CJCBRN
O=C1c2ccccc2C=CC1=NNc1ccc([N+](=O)[O-])cc1	ZINC000104366667	567916807	/nfs/dbraw/zinc/91/68/07/567916807.db2.gz	HPHIPYYTKHFLPA-ZCXUNETKSA-N	0	0	293.282	4.869	40	10		CJCBRN
O=CC1=CC(=NNc2ccc(Cl)cc2Cl)C=CC1=O	ZINC000105669295	230393731	/nfs/dbraw/zinc/39/37/31/230393731.db2.gz	QRPRJVOCBOLJNX-WUKNDPDISA-N	0	0	295.125	4.927	40	10		CJCBRN
CC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	ZINC000113688397	567926271	/nfs/dbraw/zinc/92/62/71/567926271.db2.gz	QRUUQQGOIDKBMF-UHFFFAOYSA-N	0	0	282.170	4.604	40	10		CJCBRN
S=C(c1ccccc1)c1ccc(Cl)c(Cl)c1	ZINC000196662199	526387015	/nfs/dbraw/zinc/38/70/15/526387015.db2.gz	WKMYRDJNFRRUKS-UHFFFAOYSA-N	0	0	267.180	4.760	40	10		CJCBRN
COc1ccc(-c2ccc(C)n2-c2ccccc2)cc1F	ZINC000199744278	189683897	/nfs/dbraw/zinc/68/38/97/189683897.db2.gz	DEHORTXFVXLUBL-UHFFFAOYSA-N	0	0	281.330	4.600	40	10		CJCBRN
COc1cccc(-n2c(C)ccc2-c2cccc(F)c2)c1	ZINC000199744345	567048658	/nfs/dbraw/zinc/04/86/58/567048658.db2.gz	JRMWIRXKBLCFME-UHFFFAOYSA-N	0	0	281.330	4.600	40	10		CJCBRN
Cc1ccc(-c2cccc(F)c2)n1-c1ccccc1	ZINC000199744384	189684150	/nfs/dbraw/zinc/68/41/50/189684150.db2.gz	FCNHVLJODKTLQT-UHFFFAOYSA-N	0	0	251.304	4.592	40	10		CJCBRN
COc1cccc(-n2c(C)ccc2-c2ccc(F)cc2)c1	ZINC000199745191	567048990	/nfs/dbraw/zinc/04/89/90/567048990.db2.gz	BFCBBZGSWAGFDB-UHFFFAOYSA-N	0	0	281.330	4.600	40	10		CJCBRN
Cc1ccc(-c2ccccn2)n1-c1ccc(C(C)C)cc1	ZINC000199746278	567049263	/nfs/dbraw/zinc/04/92/63/567049263.db2.gz	FGIWFOGOONIJOT-UHFFFAOYSA-N	0	0	276.383	4.971	40	10		CJCBRN
Cc1ccc(-c2cccnc2)n1-c1ccc(C(C)C)cc1	ZINC000199766641	567048532	/nfs/dbraw/zinc/04/85/32/567048532.db2.gz	PHSHLJOBIWFIHF-UHFFFAOYSA-N	0	0	276.383	4.971	40	10		CJCBRN
Cc1ccc(-c2ccncc2)n1-c1ccc(C(C)C)cc1	ZINC000199782871	189683968	/nfs/dbraw/zinc/68/39/68/189683968.db2.gz	JQVMPYTWSOEODL-UHFFFAOYSA-N	0	0	276.383	4.971	40	10		CJCBRN
Cc1ccc(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1	ZINC000206283860	570381196	/nfs/dbraw/zinc/38/11/96/570381196.db2.gz	LQDPZVUMPVDKTF-DHDCSXOGSA-N	0	0	296.753	4.630	40	10		CJCBRN
CCN(CC)c1ccc(-c2nc3cc(C)ccc3o2)cc1	ZINC000216878237	189707028	/nfs/dbraw/zinc/70/70/28/189707028.db2.gz	SADXGLCIIFCAKC-UHFFFAOYSA-N	0	0	280.371	4.649	40	10		CJCBRN
CCc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1	ZINC000216878363	189706971	/nfs/dbraw/zinc/70/69/71/189706971.db2.gz	NBRAVMOINZZFSU-UHFFFAOYSA-N	0	0	294.398	4.903	40	10		CJCBRN
CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1	ZINC000216878432	570306767	/nfs/dbraw/zinc/30/67/67/570306767.db2.gz	AZRRSIVZLHMHSZ-UHFFFAOYSA-N	0	0	294.398	4.958	40	10		CJCBRN
CCN(CC)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1	ZINC000216878490	189706834	/nfs/dbraw/zinc/70/68/34/189706834.db2.gz	LCMOXCFPDDARDJ-UHFFFAOYSA-N	0	0	294.398	4.958	40	10		CJCBRN
CC(C)c1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1	ZINC000216878565	189706731	/nfs/dbraw/zinc/70/67/31/189706731.db2.gz	CGYIYSLBQVZORG-UHFFFAOYSA-N	0	0	280.371	4.684	40	10		CJCBRN
Cc1ccc(-c2ccccc2F)n1-c1ccccc1	ZINC000222739597	525756547	/nfs/dbraw/zinc/75/65/47/525756547.db2.gz	CFMAIRHQYYCFGU-UHFFFAOYSA-N	0	0	251.304	4.592	40	10		CJCBRN
O=Cc1ccc(CC2CCCCC2)n1Cc1ccc(F)cc1	ZINC000226024306	567955528	/nfs/dbraw/zinc/95/55/28/567955528.db2.gz	PMTANPBBTXMHBL-UHFFFAOYSA-N	0	0	299.389	4.611	40	10		CJCBRN
CC(C)CCc1ccc(C=O)n1Cc1ccc(Cl)cc1	ZINC000226025365	189768471	/nfs/dbraw/zinc/76/84/71/189768471.db2.gz	QMOBKOKSZACMGE-UHFFFAOYSA-N	0	0	289.806	4.591	40	10		CJCBRN
COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000226789807	256785317	/nfs/dbraw/zinc/78/53/17/256785317.db2.gz	FJXHWDQOMCPJPN-VKJFTORMSA-N	0	0	295.357	4.661	40	10		CJCBRN
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	ZINC000226808007	256785279	/nfs/dbraw/zinc/78/52/79/256785279.db2.gz	PWHZFFVMEAULAM-FUHIMQAGSA-N	0	0	291.394	4.912	40	10		CJCBRN
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21	ZINC000226900521	256785214	/nfs/dbraw/zinc/78/52/14/256785214.db2.gz	GXJOGAQANZOQCY-BIENJYKASA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000226904167	256785391	/nfs/dbraw/zinc/78/53/91/256785391.db2.gz	YSPVQXGGEHZRFY-GJYPPUQNSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc(-n2c(C)ccc2-c2cccc(C)c2)c1	ZINC000228927047	570372937	/nfs/dbraw/zinc/37/29/37/570372937.db2.gz	RPNWEHXUUHHYDD-UHFFFAOYSA-N	0	0	277.367	4.770	40	10		CJCBRN
Cc1ccc(-c2ccc(F)c(F)c2)n1-c1ccccc1	ZINC000228929279	570372960	/nfs/dbraw/zinc/37/29/60/570372960.db2.gz	RDMQKOSYYADXEW-UHFFFAOYSA-N	0	0	269.294	4.731	40	10		CJCBRN
Cc1ccc(-c2ccccc2C)n1-c1ccc(N(C)C)cc1	ZINC000228932304	570372967	/nfs/dbraw/zinc/37/29/67/570372967.db2.gz	PSPBXRQDOXPKIX-UHFFFAOYSA-N	0	0	290.410	4.827	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	ZINC000229885002	189803337	/nfs/dbraw/zinc/80/33/37/189803337.db2.gz	CNOGIHIYJOKAKD-IIDMSEBBSA-N	0	0	265.331	4.652	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000229885008	567053812	/nfs/dbraw/zinc/05/38/12/567053812.db2.gz	CNOGIHIYJOKAKD-RKVPGOIHSA-N	0	0	265.331	4.652	40	10		CJCBRN
Cc1ccc(-c2ccccc2F)n1-c1ccc(N(C)C)cc1	ZINC000230481805	570381153	/nfs/dbraw/zinc/38/11/53/570381153.db2.gz	CUNGISJQLRLHGF-UHFFFAOYSA-N	0	0	294.373	4.658	40	10		CJCBRN
Cc1cc(N=Nc2ccccc2)nc(-c2ccccc2)n1	ZINC000245232402	567070910	/nfs/dbraw/zinc/07/09/10/567070910.db2.gz	VCVQSOLUXAKWJE-UHFFFAOYSA-N	0	0	274.327	4.867	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2	ZINC000251489540	334362140	/nfs/dbraw/zinc/36/21/40/334362140.db2.gz	SBJIUGGGNRZEKF-UWVAXJGDSA-N	0	0	291.394	4.830	40	10		CJCBRN
CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000254381192	566833936	/nfs/dbraw/zinc/83/39/36/566833936.db2.gz	LVQIWDUSUJTZJF-UHFFFAOYSA-N	0	0	298.346	4.856	40	10		CJCBRN
CN(C)c1ccc(N=Nc2cccc(Cl)c2)cc1	ZINC000254521657	566835331	/nfs/dbraw/zinc/83/53/31/566835331.db2.gz	ZWJXJMMRLCEJAL-UHFFFAOYSA-N	0	0	259.740	4.821	40	10		CJCBRN
CC(=O)Nc1ccc(N=Nc2ccccc2C)cc1C	ZINC000254814555	567857209	/nfs/dbraw/zinc/85/72/09/567857209.db2.gz	GFMVVEHDEIYWTL-UHFFFAOYSA-N	0	0	267.332	4.677	40	10		CJCBRN
Cc1ccc(N=NN(C)N=Nc2ccc(C)cc2)cc1	ZINC000254851767	327250206	/nfs/dbraw/zinc/25/02/06/327250206.db2.gz	QYJYKVPNNJFJGE-UHFFFAOYSA-N	0	0	267.336	4.933	40	10		CJCBRN
COC1=CC(=NNc2ccccc2)C(=O)c2ccccc21	ZINC000255003835	566835644	/nfs/dbraw/zinc/83/56/44/566835644.db2.gz	BXLAAHNBFBOJPG-UHFFFAOYSA-N	0	0	278.311	4.969	40	10		CJCBRN
CCN(CC)c1ccc(N=Nc2ccc(N)cc2)cc1	ZINC000299888356	520913212	/nfs/dbraw/zinc/91/32/12/520913212.db2.gz	GJHHSJRCUUFBLO-UHFFFAOYSA-N	0	0	268.364	4.530	40	10		CJCBRN
O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccccc1	ZINC000408722329	260029159	/nfs/dbraw/zinc/02/91/59/260029159.db2.gz	HGPLIUJLOSGYEE-UNOMPAQXSA-N	0	0	298.341	4.821	40	10		CJCBRN
O=C1OC(c2cccc3ccccc32)=C/C1=C/c1ccccc1	ZINC000408723308	260029165	/nfs/dbraw/zinc/02/91/65/260029165.db2.gz	SZURNONUIHIJGV-LGMDPLHJSA-N	0	0	298.341	4.821	40	10		CJCBRN
Cc1ccc(C)n1-c1ccc(-c2ccc(N)c(C)c2)cc1C	ZINC000408737605	567861097	/nfs/dbraw/zinc/86/10/97/567861097.db2.gz	DVISOQKGPUZXST-UHFFFAOYSA-N	0	0	290.410	4.960	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1	ZINC000408742422	567860855	/nfs/dbraw/zinc/86/08/55/567860855.db2.gz	OWWQBGRGTUFPAO-XNTDXEJSSA-N	0	0	296.753	4.630	40	10		CJCBRN
Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000408766808	567932669	/nfs/dbraw/zinc/93/26/69/567932669.db2.gz	GXVKHTXRRZUYIB-ZHACJKMWSA-N	0	0	298.386	4.639	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1	ZINC000409050996	570275685	/nfs/dbraw/zinc/27/56/85/570275685.db2.gz	GLICTWFRERMMMJ-WOJGMQOQSA-N	0	0	290.362	4.593	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1	ZINC000409051446	570276017	/nfs/dbraw/zinc/27/60/17/570276017.db2.gz	ABWUSZSDBSPCGL-GZTJUZNOSA-N	0	0	290.362	4.593	40	10		CJCBRN
Cc1ccsc1/C=C1\C=C(c2ccc(C)cc2C)OC1=O	ZINC000409052451	570275709	/nfs/dbraw/zinc/27/57/09/570275709.db2.gz	SROSFCZABYXMGZ-GXDHUFHOSA-N	0	0	296.391	4.655	40	10		CJCBRN
Cc1ccsc1/C=C1\C=C(c2cc(C)ccc2C)OC1=O	ZINC000409053147	570275668	/nfs/dbraw/zinc/27/56/68/570275668.db2.gz	XWVBSENSWZBXRW-GXDHUFHOSA-N	0	0	296.391	4.655	40	10		CJCBRN
CC(C)c1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1	ZINC000409053599	570276020	/nfs/dbraw/zinc/27/60/20/570276020.db2.gz	NMJQECQZOZFVIP-LDADJPATSA-N	0	0	290.362	4.791	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1	ZINC000409054729	570276009	/nfs/dbraw/zinc/27/60/09/570276009.db2.gz	WCVWGNJXDHFYLO-GZTJUZNOSA-N	0	0	290.362	4.593	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)s1	ZINC000409055163	567934183	/nfs/dbraw/zinc/93/41/83/567934183.db2.gz	WTUJYSVKCSMFPS-OQLLNIDSSA-N	0	0	296.391	4.655	40	10		CJCBRN
Cc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)s1	ZINC000409055585	567934149	/nfs/dbraw/zinc/93/41/49/567934149.db2.gz	ZOLLPKHBOCJOJJ-NTEUORMPSA-N	0	0	296.391	4.655	40	10		CJCBRN
Cc1ccsc1/C=C1\C=C(c2ccc(C)c(C)c2)OC1=O	ZINC000409060255	570276081	/nfs/dbraw/zinc/27/60/81/570276081.db2.gz	YUGDFRGRNJJZNF-XNTDXEJSSA-N	0	0	296.391	4.655	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)c1	ZINC000409150102	567934498	/nfs/dbraw/zinc/93/44/98/567934498.db2.gz	ABSJFFVUIFNTGI-RKVPGOIHSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000409150106	567934440	/nfs/dbraw/zinc/93/44/40/567934440.db2.gz	ABSJFFVUIFNTGI-VKJFTORMSA-N	0	0	283.321	4.791	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000409151329	567934540	/nfs/dbraw/zinc/93/45/40/567934540.db2.gz	GDEMQZQCGTWUSM-OHNRDTAOSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000409151334	567934537	/nfs/dbraw/zinc/93/45/37/567934537.db2.gz	GDEMQZQCGTWUSM-RFUYNDQBSA-N	0	0	279.358	4.961	40	10		CJCBRN
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000409151479	567934300	/nfs/dbraw/zinc/93/43/00/567934300.db2.gz	BRKQTWUHUXTCRK-FRQCXROJSA-N	0	0	291.394	4.830	40	10		CJCBRN
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000409151480	533373157	/nfs/dbraw/zinc/37/31/57/533373157.db2.gz	BRKQTWUHUXTCRK-GPMSIDNRSA-N	0	0	291.394	4.830	40	10		CJCBRN
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000409151481	533372371	/nfs/dbraw/zinc/37/23/71/533372371.db2.gz	BRKQTWUHUXTCRK-JTDSTZFVSA-N	0	0	291.394	4.830	40	10		CJCBRN
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000409151482	533372570	/nfs/dbraw/zinc/37/25/70/533372570.db2.gz	BRKQTWUHUXTCRK-TXPKVOOTSA-N	0	0	291.394	4.830	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000409151645	534502998	/nfs/dbraw/zinc/50/29/98/534502998.db2.gz	CRNQDKMKKXHCRB-FHSNZYRGSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000409151648	567934504	/nfs/dbraw/zinc/93/45/04/567934504.db2.gz	CRNQDKMKKXHCRB-SNUQEOBHSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000409151650	567934348	/nfs/dbraw/zinc/93/43/48/567934348.db2.gz	CRNQDKMKKXHCRB-VBHSOAQHSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000409151652	534501651	/nfs/dbraw/zinc/50/16/51/534501651.db2.gz	CRNQDKMKKXHCRB-VFVRVIDISA-N	0	0	283.321	4.791	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000409151973	567934547	/nfs/dbraw/zinc/93/45/47/567934547.db2.gz	IKDXJGYHRGZHSX-LPMFXHHGSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000409151974	567934528	/nfs/dbraw/zinc/93/45/28/567934528.db2.gz	IKDXJGYHRGZHSX-TYILLQQXSA-N	0	0	279.358	4.961	40	10		CJCBRN
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21	ZINC000409153118	567934373	/nfs/dbraw/zinc/93/43/73/567934373.db2.gz	KUNGRNMZMXOACJ-BWACUDIHSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	ZINC000409153122	567934531	/nfs/dbraw/zinc/93/45/31/567934531.db2.gz	KUNGRNMZMXOACJ-NVGCLXPQSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21	ZINC000409153126	567934368	/nfs/dbraw/zinc/93/43/68/567934368.db2.gz	KUNGRNMZMXOACJ-PSTGCABASA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	ZINC000409153130	567934536	/nfs/dbraw/zinc/93/45/36/567934536.db2.gz	KUNGRNMZMXOACJ-XWCIJXRUSA-N	0	0	283.321	4.791	40	10		CJCBRN
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21	ZINC000409154174	533772425	/nfs/dbraw/zinc/77/24/25/533772425.db2.gz	JXFJXWTVXRPKQF-GLJUWKHASA-N	0	0	296.801	4.870	40	10		CJCBRN
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21	ZINC000409154179	567934478	/nfs/dbraw/zinc/93/44/78/567934478.db2.gz	JXFJXWTVXRPKQF-LBTNJELSSA-N	0	0	296.801	4.870	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	ZINC000409156026	533291456	/nfs/dbraw/zinc/29/14/56/533291456.db2.gz	SQDGDZBBHHJROE-GPMSIDNRSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	ZINC000409156027	567934290	/nfs/dbraw/zinc/93/42/90/567934290.db2.gz	SQDGDZBBHHJROE-JTDSTZFVSA-N	0	0	295.357	4.661	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1	ZINC000409156229	567934419	/nfs/dbraw/zinc/93/44/19/567934419.db2.gz	NDFCXQNOBBFFIT-CPUCHLNUSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000409156231	567934404	/nfs/dbraw/zinc/93/44/04/567934404.db2.gz	NDFCXQNOBBFFIT-KEYYUXOJSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1	ZINC000409156235	567934513	/nfs/dbraw/zinc/93/45/13/567934513.db2.gz	NDFCXQNOBBFFIT-VBQJREDUSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1	ZINC000409156237	567934306	/nfs/dbraw/zinc/93/43/06/567934306.db2.gz	NDFCXQNOBBFFIT-ZQIUZPCESA-N	0	0	283.321	4.791	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	ZINC000409157075	567934402	/nfs/dbraw/zinc/93/44/02/567934402.db2.gz	VJXLDHWZVKSOGW-KVSKMBFKSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	ZINC000409157079	230412549	/nfs/dbraw/zinc/41/25/49/230412549.db2.gz	VJXLDHWZVKSOGW-VDZJLULYSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000409157533	567934331	/nfs/dbraw/zinc/93/43/31/567934331.db2.gz	RAGKRNFGJCBIFW-KVSKMBFKSA-N	0	0	261.368	4.822	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000409157548	567934338	/nfs/dbraw/zinc/93/43/38/567934338.db2.gz	RAGKRNFGJCBIFW-VDZJLULYSA-N	0	0	261.368	4.822	40	10		CJCBRN
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	ZINC000409164003	567934488	/nfs/dbraw/zinc/93/44/88/567934488.db2.gz	BDAXQWHUTCTILG-IIDMSEBBSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	ZINC000409164004	567934434	/nfs/dbraw/zinc/93/44/34/567934434.db2.gz	BDAXQWHUTCTILG-RVKKMQEKSA-N	0	0	295.357	4.661	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409164353	230412709	/nfs/dbraw/zinc/41/27/09/230412709.db2.gz	HJILUEGIGWTQQF-KVSKMBFKSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000409164354	567934543	/nfs/dbraw/zinc/93/45/43/567934543.db2.gz	HJILUEGIGWTQQF-VDZJLULYSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	ZINC000409166631	567934310	/nfs/dbraw/zinc/93/43/10/567934310.db2.gz	FNILAIFHIHKQEA-GPMSIDNRSA-N	0	0	279.358	4.961	40	10		CJCBRN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	ZINC000409166633	567934539	/nfs/dbraw/zinc/93/45/39/567934539.db2.gz	FNILAIFHIHKQEA-JTDSTZFVSA-N	0	0	279.358	4.961	40	10		CJCBRN
COc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000409167215	567934395	/nfs/dbraw/zinc/93/43/95/567934395.db2.gz	HLBIICCISDPQQG-VBHSOAQHSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	ZINC000409167219	567934364	/nfs/dbraw/zinc/93/43/64/567934364.db2.gz	HLBIICCISDPQQG-VFVRVIDISA-N	0	0	295.357	4.661	40	10		CJCBRN
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	ZINC000409170183	567934388	/nfs/dbraw/zinc/93/43/88/567934388.db2.gz	UECZQRXLMRLBLW-CKEIUWERSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	ZINC000409170186	567934316	/nfs/dbraw/zinc/93/43/16/567934316.db2.gz	UECZQRXLMRLBLW-CPUCHLNUSA-N	0	0	283.321	4.791	40	10		CJCBRN
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	ZINC000409170189	567934311	/nfs/dbraw/zinc/93/43/11/567934311.db2.gz	UECZQRXLMRLBLW-JKIFEVAISA-N	0	0	283.321	4.791	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000409171146	567934733	/nfs/dbraw/zinc/93/47/33/567934733.db2.gz	ZAUMNCCJXOSROD-LPMFXHHGSA-N	0	0	295.357	4.661	40	10		CJCBRN
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	ZINC000409171147	533291588	/nfs/dbraw/zinc/29/15/88/533291588.db2.gz	ZAUMNCCJXOSROD-TYILLQQXSA-N	0	0	295.357	4.661	40	10		CJCBRN
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21	ZINC000409335411	567934981	/nfs/dbraw/zinc/93/49/81/567934981.db2.gz	WTKTZRABUXKRHF-GBJTYRQASA-N	0	0	297.829	4.801	40	10		CJCBRN
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	ZINC000409335415	567935168	/nfs/dbraw/zinc/93/51/68/567935168.db2.gz	WTKTZRABUXKRHF-KBUPBQIOSA-N	0	0	297.829	4.801	40	10		CJCBRN
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	ZINC000409335417	567935181	/nfs/dbraw/zinc/93/51/81/567935181.db2.gz	WTKTZRABUXKRHF-LJISPDSOSA-N	0	0	297.829	4.801	40	10		CJCBRN