smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000003998737	291144097	/nfs/dbraw/zinc/14/40/97/291144097.db2.gz	XOEFQGQIXMPRIN-ONCYQHJISA-N	0	3	398.506	5.029	40	30	biogenic,in-vitro	GKEBHN
C[C@]12C[C@H](CC(C)(C)C1)N(/C=N/c1sc3c(c1C#N)CC(C)(C)NC3(C)C)C2	ZINC000002207499	209350163	/nfs/dbraw/zinc/35/01/63/209350163.db2.gz	KOPQVOOZGXDPKL-HTTAKTITSA-N	0	3	398.620	5.340	40	30		GKEBHN
CC(C)[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004866072	209140613	/nfs/dbraw/zinc/14/06/13/209140613.db2.gz	YXGCKQSCISYXIL-KUXCXQDQSA-N	0	3	395.546	5.517	40	30		GKEBHN
Cc1cccc(CC2S/C(=N\N=C\c3ccccc3)N(c3ccccc3)C2=O)c1	ZINC000004159515	209121435	/nfs/dbraw/zinc/12/14/35/209121435.db2.gz	IPDOZXNMKSRPHL-VMWROYDRSA-N	0	3	399.519	5.076	40	30		GKEBHN
CCCCCCCCCC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1	ZINC000104063950	520026142	/nfs/dbraw/zinc/02/61/42/520026142.db2.gz	VKMKPAZMLMPJSL-QFIPXVFZSA-N	0	3	381.004	5.354	40	30		GKEBHN
CCCCCCCCCc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1	ZINC000100238907	520030970	/nfs/dbraw/zinc/03/09/70/520030970.db2.gz	XHMIOILEHDOMQX-DEOSSOPVSA-N	0	3	383.576	5.509	40	30		GKEBHN
CCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000102568150	520057300	/nfs/dbraw/zinc/05/73/00/520057300.db2.gz	XJDUCLDCUQYGMY-UHFFFAOYSA-N	0	3	380.359	6.632	40	30		GKEBHN
CCOc1ccc(C=NNc2c3ccccc3nc3ccccc32)cc1OCC	ZINC000013284011	520854037	/nfs/dbraw/zinc/85/40/37/520854037.db2.gz	HJPFKPOITDKMLE-PCLIKHOPSA-N	0	3	385.467	5.631	40	30		GKEBHN
C(#C[C@@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1	ZINC000096194496	527464841	/nfs/dbraw/zinc/46/48/41/527464841.db2.gz	XQEFZYKXDMKSHF-MUUNZHRXSA-N	0	3	385.595	6.237	40	30		GKEBHN
C=CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1	ZINC000408574065	570327281	/nfs/dbraw/zinc/32/72/81/570327281.db2.gz	IEKJZONHLTUEDC-UHFFFAOYSA-N	0	3	398.506	5.062	40	30		GKEBHN
N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCCN1CCCCCC1	ZINC000005555825	570632073	/nfs/dbraw/zinc/63/20/73/570632073.db2.gz	XCZOPLWHENMQGP-UHFFFAOYSA-N	0	3	395.450	5.200	40	30		GKEBHN
C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1	ZINC000004133145	571041749	/nfs/dbraw/zinc/04/17/49/571041749.db2.gz	JVERHSPATOGMGT-CYTDPQRLSA-N	0	3	381.519	5.127	40	30		GKEBHN
C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1	ZINC000004133153	212077796	/nfs/dbraw/zinc/07/77/96/212077796.db2.gz	JVERHSPATOGMGT-KCXKOMAXSA-N	0	3	381.519	5.127	40	30		GKEBHN
CCOc1ccc(/N=C2\SC(CC)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000101025086	208385045	/nfs/dbraw/zinc/38/50/45/208385045.db2.gz	DPBABSUZZDFROO-XQDODVJUSA-N	0	3	384.501	5.030	40	30		GKEBHN
CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(N)cc1	ZINC000004595647	518463923	/nfs/dbraw/zinc/46/39/23/518463923.db2.gz	MTHLDRAOIYXJGW-OGLMXYFKSA-N	0	3	379.467	5.229	40	30		GKEBHN
CCCCCCCNCc1cc(Br)ccc1OCc1ccccc1	ZINC000102568257	520055310	/nfs/dbraw/zinc/05/53/10/520055310.db2.gz	BIAWKFXAIFDHLF-UHFFFAOYSA-N	0	3	390.365	6.088	40	30		GKEBHN
CCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1	ZINC000102568325	520057544	/nfs/dbraw/zinc/05/75/44/520057544.db2.gz	MPNNSLBVDHIKNU-UHFFFAOYSA-N	0	3	375.940	5.988	40	30		GKEBHN
CN(CCC(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1)Cc1ccccc1	ZINC000017147375	522675555	/nfs/dbraw/zinc/67/55/55/522675555.db2.gz	LONJEUANXZHGKA-MOHJPFBDSA-N	0	3	389.926	5.972	40	30		GKEBHN
CC(C)(C)N(CC#CC(O)(c1ccccc1)c1ccccc1)Cc1ccccc1	ZINC000096194470	526277801	/nfs/dbraw/zinc/27/78/01/526277801.db2.gz	GHEHDJXFFDPHII-UHFFFAOYSA-N	0	3	383.535	5.227	40	30		GKEBHN
CN1[C@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000004963746	570420220	/nfs/dbraw/zinc/42/02/20/570420220.db2.gz	XMEJIFOWMQOPDN-ZEQRLZLVSA-N	0	3	384.479	5.408	40	30		GKEBHN
Cc1cc2cc(CC(C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C	ZINC000000883117	570508678	/nfs/dbraw/zinc/50/86/78/570508678.db2.gz	WCPJIGOTZHZCGC-IBGZPJMESA-N	0	3	391.902	5.443	40	30		GKEBHN
CC(C)/N=C(\CP(N(C(C)C)C(C)C)N(C(C)C)C(C)C)c1ccccc1	ZINC000104840361	571049078	/nfs/dbraw/zinc/04/90/78/571049078.db2.gz	SRFRKWGDVQZNQS-WCWDXBQESA-N	0	3	391.584	6.434	40	30		GKEBHN
CC(C)[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004866071	206229182	/nfs/dbraw/zinc/22/91/82/206229182.db2.gz	YXGCKQSCISYXIL-LAJGZZDBSA-N	0	3	395.546	5.517	40	30		GKEBHN
CCCCCCCCCc1ccc(OC[C@H](O)CNCc2ccccc2)cc1	ZINC000100238905	520031627	/nfs/dbraw/zinc/03/16/27/520031627.db2.gz	XHMIOILEHDOMQX-XMMPIXPASA-N	0	3	383.576	5.509	40	30		GKEBHN
CCCCCCCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1	ZINC000102561857	520034728	/nfs/dbraw/zinc/03/47/28/520034728.db2.gz	ZTEWCLKFHNALHW-UHFFFAOYSA-N	0	3	377.931	6.508	40	30		GKEBHN
CCCCCCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1	ZINC000102562067	520037985	/nfs/dbraw/zinc/03/79/85/520037985.db2.gz	ISPXYMRXQZXSIL-UHFFFAOYSA-N	0	3	389.967	6.378	40	30		GKEBHN
CN(CCC(=O)/C(=C/c1ccc(Cl)cc1)c1ccccc1)Cc1ccccc1	ZINC000001569712	570265013	/nfs/dbraw/zinc/26/50/13/570265013.db2.gz	VMCRRXOQEAHYJD-HKOYGPOVSA-N	0	3	389.926	5.972	40	30		GKEBHN
CN(CCC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1)Cc1ccccc1	ZINC000001733649	570631394	/nfs/dbraw/zinc/63/13/94/570631394.db2.gz	LONJEUANXZHGKA-HKOYGPOVSA-N	0	3	389.926	5.972	40	30		GKEBHN
O=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)Sc1ccccc1N2	ZINC000007449879	570759266	/nfs/dbraw/zinc/75/92/66/570759266.db2.gz	PDQCRFGWDAUEAT-LJQANCHMSA-N	0	3	376.308	6.259	40	30		GKEBHN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1	ZINC000118917461	570920873	/nfs/dbraw/zinc/92/08/73/570920873.db2.gz	PSKHDAPOVCIOJR-IANWGLDUSA-N	0	3	379.588	5.878	40	30		GKEBHN
Cc1cccc(CC2S/C(=N\N=C\c3ccccc3)N(c3ccccc3)C2=O)c1	ZINC000001909040	212062699	/nfs/dbraw/zinc/06/26/99/212062699.db2.gz	IPDOZXNMKSRPHL-MBZZRXAISA-N	0	3	399.519	5.076	40	30		GKEBHN
CN1[C@@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@H]1c1ccccc1	ZINC000004963744	204097479	/nfs/dbraw/zinc/09/74/79/204097479.db2.gz	XMEJIFOWMQOPDN-PSWAGMNNSA-N	0	3	384.479	5.408	40	30		GKEBHN
CCCCCCCC/C=C/CCCCCCCC(=O)NCCN1CCCCC1	ZINC000104110106	519969367	/nfs/dbraw/zinc/96/93/67/519969367.db2.gz	CXQLAPZPEQBSGL-MDZDMXLPSA-N	0	3	392.672	6.626	40	30		GKEBHN
CCN(CC)CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	ZINC000016968909	520699589	/nfs/dbraw/zinc/69/95/89/520699589.db2.gz	USGNUULOYAWAKK-XYOKQWHBSA-N	0	3	392.326	5.610	40	30		GKEBHN
CN(CCC(=O)/C(=C\c1ccc(Cl)cc1)c1ccccc1)Cc1ccccc1	ZINC000017375710	522675151	/nfs/dbraw/zinc/67/51/51/522675151.db2.gz	VMCRRXOQEAHYJD-MOHJPFBDSA-N	0	3	389.926	5.972	40	30		GKEBHN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-][NH+]=Cc1ccc(N2CCCCCC2)o1	ZINC000409067220	534879632	/nfs/dbraw/zinc/87/96/32/534879632.db2.gz	PSIWHVASLDSMEQ-WSDLNYQXSA-N	0	3	396.369	5.033	40	30		GKEBHN
CCCCCCCCCCCCn1ccc(=NCn2nnc3ccccc32)cc1	ZINC000408526112	528124494	/nfs/dbraw/zinc/12/44/94/528124494.db2.gz	MVMLHTATKOVVPJ-UHFFFAOYSA-N	0	3	393.579	5.712	40	30		GKEBHN
CCCCCCCCCC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1	ZINC000104063955	570297456	/nfs/dbraw/zinc/29/74/56/570297456.db2.gz	VKMKPAZMLMPJSL-JOCHJYFZSA-N	0	3	381.004	5.354	40	30		GKEBHN
CC/N=C1/C=C/C(=C(\c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C	ZINC000104380950	570302199	/nfs/dbraw/zinc/30/21/99/570302199.db2.gz	TVKGDNHBYVWSOH-JCEJPHOFSA-N	0	3	390.958	6.859	40	30		GKEBHN
CCOc1ccc(C=NNc2c3ccccc3nc3ccccc32)cc1OCC	ZINC000031672191	570505422	/nfs/dbraw/zinc/50/54/22/570505422.db2.gz	HJPFKPOITDKMLE-XYGWBWBKSA-N	0	3	385.467	5.631	40	30		GKEBHN
Cc1ccc2cc(CC(C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2c1C	ZINC000000883112	570508560	/nfs/dbraw/zinc/50/85/60/570508560.db2.gz	SFEWMRMQQUCMHL-LJQANCHMSA-N	0	3	391.902	5.443	40	30		GKEBHN
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1	ZINC000118917462	570920846	/nfs/dbraw/zinc/92/08/46/570920846.db2.gz	PSKHDAPOVCIOJR-XDJLQTKDSA-N	0	3	379.588	5.878	40	30		GKEBHN
CC(C)[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004866073	571042814	/nfs/dbraw/zinc/04/28/14/571042814.db2.gz	YXGCKQSCISYXIL-YVHASNINSA-N	0	3	395.546	5.517	40	30		GKEBHN
C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1	ZINC000004133143	212078186	/nfs/dbraw/zinc/07/81/86/212078186.db2.gz	JVERHSPATOGMGT-DZDPFUOBSA-N	0	3	381.519	5.127	40	30		GKEBHN
CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)C#Cc1ccccc1	ZINC000004836803	206228744	/nfs/dbraw/zinc/22/87/44/206228744.db2.gz	LIEJILKXNSLXJY-JUDWXZBOSA-N	0	3	395.546	5.661	40	30		GKEBHN
Cc1ccc(NC(=O)C(C#N)Cc2cc3ccc(C)cc3nc2Cl)c(C)c1	ZINC000000883032	211494180	/nfs/dbraw/zinc/49/41/80/211494180.db2.gz	JPGDFUAOVXPMRV-SFHVURJKSA-N	0	3	377.875	5.134	40	30		GKEBHN
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN1CCCCC1	ZINC000104110103	519968270	/nfs/dbraw/zinc/96/82/70/519968270.db2.gz	CXQLAPZPEQBSGL-KTKRTIGZSA-N	0	3	392.672	6.626	40	30		GKEBHN
CCCCCCCNCc1cccc(OC)c1OCc1ccccc1Cl	ZINC000102568323	520058164	/nfs/dbraw/zinc/05/81/64/520058164.db2.gz	YPDVREZZOJPINS-UHFFFAOYSA-N	0	3	375.940	5.988	40	30		GKEBHN
CCN(CC)CCOc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1	ZINC000004683498	520698718	/nfs/dbraw/zinc/69/87/18/520698718.db2.gz	USGNUULOYAWAKK-WQLSENKSSA-N	0	3	392.326	5.610	40	30		GKEBHN
C=CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	ZINC000408578997	526893209	/nfs/dbraw/zinc/89/32/09/526893209.db2.gz	YABWAQSQWGSCLL-UHFFFAOYSA-N	0	3	398.506	5.062	40	30		GKEBHN
C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1	ZINC000008470275	570221011	/nfs/dbraw/zinc/22/10/11/570221011.db2.gz	PIOUIMVENBRHKK-UHFFFAOYSA-N	0	3	386.706	5.510	40	30		GKEBHN
Cc1ccc(C)c2nc(Cl)c(CC(C#N)C(=O)Nc3c(C)cccc3C)cc12	ZINC000000883116	570508833	/nfs/dbraw/zinc/50/88/33/570508833.db2.gz	AMIYONDZTRWRBL-GOSISDBHSA-N	0	3	391.902	5.443	40	30		GKEBHN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1	ZINC000118917459	570920760	/nfs/dbraw/zinc/92/07/60/570920760.db2.gz	PSKHDAPOVCIOJR-XEEOAIRGSA-N	0	3	379.588	5.878	40	30		GKEBHN
CCOc1ccc(/N=C2\SC(CC)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000101025084	222466083	/nfs/dbraw/zinc/46/60/83/222466083.db2.gz	DPBABSUZZDFROO-LURZSEBBSA-N	0	3	384.501	5.030	40	30		GKEBHN
N=C(Nc1ccccc1)c1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1	ZINC000013223166	526813179	/nfs/dbraw/zinc/81/31/79/526813179.db2.gz	UDEYQEDDKVUHBU-UHFFFAOYSA-N	0	3	379.507	5.605	40	30		GKEBHN
N=C(Nc1ccccc1)SCCCCCCSC(=N)Nc1ccccc1	ZINC000017290146	526828896	/nfs/dbraw/zinc/82/88/96/526828896.db2.gz	DMDJZHDAMJOOKQ-UHFFFAOYSA-N	0	3	386.590	5.706	40	30		GKEBHN
C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000006733647	570672364	/nfs/dbraw/zinc/67/23/64/570672364.db2.gz	XOEFQGQIXMPRIN-PWZUTMABSA-N	0	3	398.506	5.029	40	30		GKEBHN
Cc1ccc(C23C[C@H]4C[C@H](CC(C/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1	ZINC000015357010	570905012	/nfs/dbraw/zinc/90/50/12/570905012.db2.gz	IQPOULBKFWKOFY-WFWWJLPOSA-N	0	3	388.511	5.860	40	30		GKEBHN
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2/N=C\c1ccccc1	ZINC000118917460	570920701	/nfs/dbraw/zinc/92/07/01/570920701.db2.gz	PSKHDAPOVCIOJR-LNVNXAEOSA-N	0	3	379.588	5.878	40	30		GKEBHN
Cc1ccc(NC(=O)C(C#N)Cc2cc3ccc(C)cc3nc2Cl)c(C)c1	ZINC000000883033	230819569	/nfs/dbraw/zinc/81/95/69/230819569.db2.gz	JPGDFUAOVXPMRV-GOSISDBHSA-N	0	3	377.875	5.134	40	30		GKEBHN
C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000003998738	291144090	/nfs/dbraw/zinc/14/40/90/291144090.db2.gz	XOEFQGQIXMPRIN-GWSAJCRFSA-N	0	3	398.506	5.029	40	30	biogenic,in-vitro	GKEBHN
C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#Cc1ccccc1	ZINC000004133149	209138565	/nfs/dbraw/zinc/13/85/65/209138565.db2.gz	JVERHSPATOGMGT-YXGPKXJVSA-N	0	3	381.519	5.127	40	30		GKEBHN
CC(C)(C)N=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1Cl	ZINC000017123164	518550944	/nfs/dbraw/zinc/55/09/44/518550944.db2.gz	ZWDLFJBYZJGDCP-UHFFFAOYSA-N	0	3	398.982	5.161	40	30		GKEBHN
CCCCCCCCCCCCCCCCCCNc1nc(N)nc(N)n1	ZINC000100253638	519997727	/nfs/dbraw/zinc/99/77/27/519997727.db2.gz	YVQGTGVCLMMSTL-UHFFFAOYSA-N	0	3	378.609	5.709	40	30		GKEBHN
CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000102561864	520036714	/nfs/dbraw/zinc/03/67/14/520036714.db2.gz	JGZFBDOAAMWWEZ-UHFFFAOYSA-N	0	3	394.386	7.023	40	30		GKEBHN
CCCCCCCCNCc1cccc(OC)c1OCc1ccccc1Cl	ZINC000102562064	520036865	/nfs/dbraw/zinc/03/68/65/520036865.db2.gz	DLYKYYGIEBTXMJ-UHFFFAOYSA-N	0	3	389.967	6.378	40	30		GKEBHN
CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1F	ZINC000102561853	520038180	/nfs/dbraw/zinc/03/81/80/520038180.db2.gz	AMGYAMSWHNZRCI-UHFFFAOYSA-N	0	3	377.931	6.508	40	30		GKEBHN
CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000102568147	520058471	/nfs/dbraw/zinc/05/84/71/520058471.db2.gz	HKLCGUSSULBQRY-UHFFFAOYSA-N	0	3	380.359	6.632	40	30		GKEBHN
CC/N=C1\C=C/C(=C(/c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C	ZINC000017315505	520207665	/nfs/dbraw/zinc/20/76/65/520207665.db2.gz	TVKGDNHBYVWSOH-TWCYPEEPSA-N	0	3	390.958	6.859	40	30		GKEBHN
C(#C[C@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1	ZINC000096194495	527465248	/nfs/dbraw/zinc/46/52/48/527465248.db2.gz	XQEFZYKXDMKSHF-NDEPHWFRSA-N	0	3	385.595	6.237	40	30		GKEBHN
Cc1ccc(C)c2nc(Cl)c(CC(C#N)C(=O)Nc3c(C)cccc3C)cc12	ZINC000000883114	570508810	/nfs/dbraw/zinc/50/88/10/570508810.db2.gz	AMIYONDZTRWRBL-SFHVURJKSA-N	0	3	391.902	5.443	40	30		GKEBHN
CN1[C@@H](c2ccccc2)CC(=NOC(=O)c2ccccc2)C[C@@H]1c1ccccc1	ZINC000004963745	204097303	/nfs/dbraw/zinc/09/73/03/204097303.db2.gz	XMEJIFOWMQOPDN-DNQXCXABSA-N	0	3	384.479	5.408	40	30		GKEBHN
CCCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000102561868	520034842	/nfs/dbraw/zinc/03/48/42/520034842.db2.gz	RUTOOFLPSJFLAS-UHFFFAOYSA-N	0	3	394.386	7.023	40	30		GKEBHN
CCCCCCCNCc1cc(Br)cc(Br)c1OC	ZINC000102570914	520055800	/nfs/dbraw/zinc/05/58/00/520055800.db2.gz	MEZOYGYFZQKMPA-UHFFFAOYSA-N	0	3	393.163	5.280	40	30		GKEBHN
Cc1ccc(C23C[C@H]4C[C@H](CC(C/N=C\c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1	ZINC000096305050	524228996	/nfs/dbraw/zinc/22/89/96/524228996.db2.gz	IQPOULBKFWKOFY-GLZWZPLDSA-N	0	3	388.511	5.860	40	30		GKEBHN
O=C(/C=C/C1=C(N2CCCCCC2)Cc2ccccc21)c1ccc(Cl)cc1	ZINC000055120949	527594409	/nfs/dbraw/zinc/59/44/09/527594409.db2.gz	JDAVQFRJKCROHY-BUHFOSPRSA-N	0	3	377.915	5.922	40	30		GKEBHN
C[C@@]12C[C@@H](CC(C)(C)C1)N(/C=N/c1sc3c(c1C#N)CC(C)(C)NC3(C)C)C2	ZINC000005069877	570219886	/nfs/dbraw/zinc/21/98/86/570219886.db2.gz	KOPQVOOZGXDPKL-NWOQJERHSA-N	0	3	398.620	5.340	40	30		GKEBHN
CC/N=C1/C=C/C(=C(/c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C	ZINC000104380945	570302169	/nfs/dbraw/zinc/30/21/69/570302169.db2.gz	TVKGDNHBYVWSOH-LNOIIBRLSA-N	0	3	390.958	6.859	40	30		GKEBHN
Cc1ccc2cc(CC(C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2c1C	ZINC000000883110	570508747	/nfs/dbraw/zinc/50/87/47/570508747.db2.gz	SFEWMRMQQUCMHL-IBGZPJMESA-N	0	3	391.902	5.443	40	30		GKEBHN
Cc1cc2cc(CC(C#N)C(=O)Nc3c(C)cccc3C)c(Cl)nc2cc1C	ZINC000000883119	570508846	/nfs/dbraw/zinc/50/88/46/570508846.db2.gz	WCPJIGOTZHZCGC-LJQANCHMSA-N	0	3	391.902	5.443	40	30		GKEBHN
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC(=O)c1ccccc1)c1ccnc2ccccc21	ZINC000003999920	570613017	/nfs/dbraw/zinc/61/30/17/570613017.db2.gz	XOEFQGQIXMPRIN-KAORUIQYSA-N	0	3	398.506	5.029	40	30		GKEBHN
O=C1CCCC2=C1C(c1ccc(Cl)cc1Cl)Sc1ccccc1N2	ZINC000007449867	570759091	/nfs/dbraw/zinc/75/90/91/570759091.db2.gz	PDQCRFGWDAUEAT-IBGZPJMESA-N	0	3	376.308	6.259	40	30		GKEBHN
C(=N/Cc1ccccc1)\c1ccccc1-c1ccccc1/C=N/Cc1ccccc1	ZINC000018205984	570951504	/nfs/dbraw/zinc/95/15/04/570951504.db2.gz	RWFUQMSVHGTTMK-VFIVCBTMSA-N	0	3	388.514	6.592	40	30		GKEBHN