smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C/c2cn(CC(=O)OCC)c3ccccc23)C(=O)[N-]C1=S	ZINC000408901918	526389180	/nfs/dbraw/zinc/38/91/80/526389180.db2.gz	IWRJTBUCRJXMLD-XNTDXEJSSA-N	-1	1	397.456	2.017	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000408758913	570455029	/nfs/dbraw/zinc/45/50/29/570455029.db2.gz	UQJJJWHKMMRQHM-ANQVYJHKSA-N	-1	1	381.413	2.460	40	30		GEEBMM
C#CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OCC	ZINC000408913521	527086500	/nfs/dbraw/zinc/08/65/00/527086500.db2.gz	VIKMKSTVIMQUQM-RVDMUPIBSA-N	-1	1	384.457	2.082	40	30		GEEBMM
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000408891111	231124381	/nfs/dbraw/zinc/12/43/81/231124381.db2.gz	LQPDIIIOCYVQCU-UHFFFAOYSA-N	-1	1	394.368	2.173	40	30		GEEBMM
COc1cc(/C=N/n2cnnc2-n2nc(C)cc2C)cc(Br)c1[O-]	ZINC000006189287	204170261	/nfs/dbraw/zinc/17/02/61/204170261.db2.gz	KAMJPRCKTNDOHK-CNHKJKLMSA-N	-1	1	391.229	2.440	40	30		GEEBMM
Cc1ccc([C@H]2c3c(=O)[n-]c(N4CCOCC4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000020673820	526046490	/nfs/dbraw/zinc/04/64/90/526046490.db2.gz	DSBIJNKVQNXDKH-QGZVFWFLSA-N	-1	1	392.459	2.479	40	30		GEEBMM
C#CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1OCC	ZINC000408917459	527087205	/nfs/dbraw/zinc/08/72/05/527087205.db2.gz	UXPJXVPJUJCCLX-YRNVUSSQSA-N	-1	1	378.837	2.007	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000006029976	204161075	/nfs/dbraw/zinc/16/10/75/204161075.db2.gz	UQJJJWHKMMRQHM-VYXQJKENSA-N	-1	1	381.413	2.460	40	30		GEEBMM
COCC/N=c1\scc(-c2ccc([O-])c(C(N)=O)c2)n1/N=C/c1ccccc1	ZINC000006435524	204178105	/nfs/dbraw/zinc/17/81/05/204178105.db2.gz	ITHKRPNSPNEKHI-LDYSMASRSA-N	-1	1	396.472	2.450	40	30		GEEBMM
COC(=O)c1ccc([C@@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000017080563	570918510	/nfs/dbraw/zinc/91/85/10/570918510.db2.gz	VFQYESIBNBKGQU-AWEZNQCLSA-N	-1	1	394.431	2.339	40	30		GEEBMM
C/N=c1/scc(-c2ccc([O-])c(C(N)=O)c2)n1/N=C/c1ccc(O)c(OC)c1	ZINC000102960296	518574297	/nfs/dbraw/zinc/57/42/97/518574297.db2.gz	NUMYLJZUJGSUHW-BOMLJZKQSA-N	-1	1	398.444	2.148	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000016292797	570921518	/nfs/dbraw/zinc/92/15/18/570921518.db2.gz	AJYGNBPWKKJFBZ-SJJOQSKNSA-N	-1	1	395.440	2.328	40	30		GEEBMM
COCC/N=c1/scc(-c2ccc([O-])c(C(N)=O)c2)n1/N=C/c1ccccc1	ZINC000102959793	522828789	/nfs/dbraw/zinc/82/87/89/522828789.db2.gz	ITHKRPNSPNEKHI-KNZXMQTDSA-N	-1	1	396.472	2.450	40	30		GEEBMM
C=CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2OC)C(=O)[N-]C1=S	ZINC000409237390	526389272	/nfs/dbraw/zinc/38/92/72/526389272.db2.gz	IKLRKQSZPRATQM-VBKFSLOCSA-N	-1	1	385.489	2.498	40	30		GEEBMM
O=C([O-])CC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N([C@H]2C=CCC2)C1=O	ZINC000005344324	570434657	/nfs/dbraw/zinc/43/46/57/570434657.db2.gz	NVHLGFFLIMZFDT-HTZAMBMXSA-N	-1	1	388.405	2.422	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000408758914	570455431	/nfs/dbraw/zinc/45/54/31/570455431.db2.gz	UQJJJWHKMMRQHM-RKQRPNFGSA-N	-1	1	381.413	2.460	40	30		GEEBMM
O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673882	526966606	/nfs/dbraw/zinc/96/66/06/526966606.db2.gz	YCNGXWDMRAZQKW-XJKSGUPXSA-N	-1	1	382.464	2.479	40	30		GEEBMM
Cc1nnc(NN=C(C([O-])=C(C#N)c2ccccc2)[C@H](C#N)c2ccccc2)n1N	ZINC000104286148	570300854	/nfs/dbraw/zinc/30/08/54/570300854.db2.gz	OROQZDLZGXKLEF-QDIRMAPSSA-N	-1	1	398.430	2.252	40	30		GEEBMM
COc1cc(CN=Nc2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N	ZINC000016214985	570917994	/nfs/dbraw/zinc/91/79/94/570917994.db2.gz	YEVDJNMZAKYAPX-GIJQJNRQSA-N	-1	1	380.324	2.226	40	30		GEEBMM
Cc1nnc(NN=C(C([O-])=C(C#N)c2ccccc2)[C@H](C#N)c2ccccc2)n1N	ZINC000006494220	526352055	/nfs/dbraw/zinc/35/20/55/526352055.db2.gz	OROQZDLZGXKLEF-KSVVGEQXSA-N	-1	1	398.430	2.252	40	30		GEEBMM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1	ZINC000408591963	526575609	/nfs/dbraw/zinc/57/56/09/526575609.db2.gz	MQRMUHUJGGIGPP-UHFFFAOYSA-N	-1	1	376.434	2.177	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000408763047	570667710	/nfs/dbraw/zinc/66/77/10/570667710.db2.gz	GYYRROLEZOEOHP-RKQRPNFGSA-N	-1	1	381.413	2.460	40	30		GEEBMM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1ccc(Cl)cc1C	ZINC000102952081	570293545	/nfs/dbraw/zinc/29/35/45/570293545.db2.gz	BSRHJCAGNIMNNV-AWEZNQCLSA-N	-1	1	379.796	2.050	40	30		GEEBMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C	ZINC000102952081	570293547	/nfs/dbraw/zinc/29/35/47/570293547.db2.gz	BSRHJCAGNIMNNV-AWEZNQCLSA-N	-1	1	379.796	2.050	40	30		GEEBMM
CC(=O)Oc1c2c(c(C(C)=O)c(O)c1C)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000104194170	570298733	/nfs/dbraw/zinc/29/87/33/570298733.db2.gz	OXKAQVADGMGEIX-HXUWFJFHSA-N	-1	1	386.356	2.346	40	30		GEEBMM
CC(=O)Oc1c2c(c(C(C)=O)c(O)c1C)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000104194170	570298737	/nfs/dbraw/zinc/29/87/37/570298737.db2.gz	OXKAQVADGMGEIX-HXUWFJFHSA-N	-1	1	386.356	2.346	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000408761954	570471268	/nfs/dbraw/zinc/47/12/68/570471268.db2.gz	ITRSQKGDDSAFKR-UMXKZIAQSA-N	-1	1	397.412	2.165	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000408763041	570667469	/nfs/dbraw/zinc/66/74/69/570667469.db2.gz	GYYRROLEZOEOHP-ANQVYJHKSA-N	-1	1	381.413	2.460	40	30		GEEBMM
Cc1ccc([C@@H]2c3c(=O)[n-]c(N4CCOCC4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000020673823	525867104	/nfs/dbraw/zinc/86/71/04/525867104.db2.gz	DSBIJNKVQNXDKH-KRWDZBQOSA-N	-1	1	392.459	2.479	40	30		GEEBMM
C#CCOc1c(CC=C)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OC	ZINC000408900918	527085847	/nfs/dbraw/zinc/08/58/47/527085847.db2.gz	ABLGFKHEVQTKDS-FOWTUZBSSA-N	-1	1	396.468	2.248	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000408761951	570471330	/nfs/dbraw/zinc/47/13/30/570471330.db2.gz	ITRSQKGDDSAFKR-IEEVUCOHSA-N	-1	1	397.412	2.165	40	30		GEEBMM
C/N=c1\scc(-c2ccc([O-])c(C(N)=O)c2)n1/N=C/c1ccc(C#N)cc1	ZINC000007612075	570510054	/nfs/dbraw/zinc/51/00/54/570510054.db2.gz	KDUHYCORMGKHSH-MXJOPYGZSA-N	-1	1	377.429	2.305	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000016292795	570921607	/nfs/dbraw/zinc/92/16/07/570921607.db2.gz	AJYGNBPWKKJFBZ-NBZOHKLQSA-N	-1	1	395.440	2.328	40	30		GEEBMM
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000055664119	518935699	/nfs/dbraw/zinc/93/56/99/518935699.db2.gz	KXDKLJAAPWLLEA-UHFFFAOYSA-N	-1	1	376.434	2.420	40	30		GEEBMM
O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673887	526966143	/nfs/dbraw/zinc/96/61/43/526966143.db2.gz	YCNGXWDMRAZQKW-CZUORRHYSA-N	-1	1	382.464	2.479	40	30		GEEBMM
CC(=O)Oc1c2c(c(C(C)=O)c(O)c1C)OC1=CC([O-])=C(C(C)=O)C(=O)[C@]21C	ZINC000104194168	570298744	/nfs/dbraw/zinc/29/87/44/570298744.db2.gz	OXKAQVADGMGEIX-FQEVSTJZSA-N	-1	1	386.356	2.346	40	30		GEEBMM
CC(=O)Oc1c2c(c(C(C)=O)c(O)c1C)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@]21C	ZINC000104194168	570298745	/nfs/dbraw/zinc/29/87/45/570298745.db2.gz	OXKAQVADGMGEIX-FQEVSTJZSA-N	-1	1	386.356	2.346	40	30		GEEBMM
COc1c(Br)cc(Br)cc1CN=Nc1nn[n-]n1	ZINC000006453515	531525072	/nfs/dbraw/zinc/52/50/72/531525072.db2.gz	MPRNMSHCKHKVFA-UUILKARUSA-N	-1	1	376.012	2.179	40	30		GEEBMM
CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)C(=O)[N-]C1=S	ZINC000408913593	530039812	/nfs/dbraw/zinc/03/98/12/530039812.db2.gz	VQIOMYAAFSNKOL-MHWRWJLKSA-N	-1	1	377.425	2.394	40	30		GEEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1	ZINC000010008844	209161072	/nfs/dbraw/zinc/16/10/72/209161072.db2.gz	ZVDSMLPXSXWBJM-UHFFFAOYSA-N	-1	1	376.434	2.420	40	30		GEEBMM
C/N=c1\scc(-c2ccc([O-])c(C(N)=O)c2)n1/N=C/c1cccc(OC)c1	ZINC000032666026	518573935	/nfs/dbraw/zinc/57/39/35/518573935.db2.gz	GJASHQBQQRXMRN-JOJRYIPASA-N	-1	1	382.445	2.442	40	30		GEEBMM
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)[N-]C1=S	ZINC000408901249	526389603	/nfs/dbraw/zinc/38/96/03/526389603.db2.gz	COICQCPOTSBAQJ-GHRIWEEISA-N	-1	1	380.473	2.356	40	30		GEEBMM
O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673815	526967642	/nfs/dbraw/zinc/96/76/42/526967642.db2.gz	IADRGPYDLIUPDZ-MRXNPFEDSA-N	-1	1	378.432	2.171	40	30		GEEBMM
N#Cc1cc2c(nc1SCC(=O)Nc1cc(=O)n(-c3ccccc3)[n-]1)CCC2	ZINC000261526723	212031488	/nfs/dbraw/zinc/03/14/88/212031488.db2.gz	HWUWVTSQJHCWEJ-UHFFFAOYSA-N	-1	1	391.456	2.401	40	30		GEEBMM
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])cc1O)[C@@H]1C=C[C@H]2CC1	ZINC000016383067	570376755	/nfs/dbraw/zinc/37/67/55/570376755.db2.gz	GYVXFQQQJCYEAG-ULINRVDDSA-N	-1	1	391.221	2.391	40	30		GEEBMM
Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1CC#N	ZINC000013611808	570762524	/nfs/dbraw/zinc/76/25/24/570762524.db2.gz	HNIUJBLGPJBILU-UHFFFAOYSA-N	-1	1	377.370	2.490	40	30		GEEBMM
O=C1CCCC2=C1[C@H]([C@H]1CC=CCC1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673885	526968556	/nfs/dbraw/zinc/96/85/56/526968556.db2.gz	YCNGXWDMRAZQKW-BBRMVZONSA-N	-1	1	382.464	2.479	40	30		GEEBMM
C=CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)C(=O)[N-]C1=S	ZINC000231528727	645403693	/nfs/dbraw/zinc/40/36/93/645403693.db2.gz	VMTICHGKGWOOIV-JXMROGBWSA-N	-1	1	381.251	2.270	40	30		GEEBMM
N#Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)cc1	ZINC000408928008	534784478	/nfs/dbraw/zinc/78/44/78/534784478.db2.gz	UFQLOWTTWPSELJ-UHFFFAOYSA-N	-1	1	386.436	2.476	40	30		GEEBMM
C#CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OC	ZINC000408903364	527087598	/nfs/dbraw/zinc/08/75/98/527087598.db2.gz	RPMSYNGGAROOSO-XYOKQWHBSA-N	-1	1	390.848	2.173	40	30		GEEBMM
C=CCN1C(=O)/C(=C/c2ccc(I)cc2)C(=O)[N-]C1=S	ZINC000408902562	526389624	/nfs/dbraw/zinc/38/96/24/526389624.db2.gz	KAMNDDOJWVEHHN-DHZHZOJOSA-N	-1	1	398.225	2.104	40	30		GEEBMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@@H]2c2ccccn2)cc1	ZINC000019972749	523550410	/nfs/dbraw/zinc/55/04/10/523550410.db2.gz	GBYJMEXEBZOARH-QGZVFWFLSA-N	-1	1	382.372	2.143	40	30		GEEBMM
Cc1ccccc1[C@H]1c2c(=O)[n-]c(N3CCOCC3)nc2NC2=C1C(=O)CCC2	ZINC000020673866	525448789	/nfs/dbraw/zinc/44/87/89/525448789.db2.gz	OACSWQPMFRBFDT-QGZVFWFLSA-N	-1	1	392.459	2.479	40	30		GEEBMM
O=C1CCCC2=C1[C@H]([C@@H]1CC=CCC1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673890	526967680	/nfs/dbraw/zinc/96/76/80/526967680.db2.gz	YCNGXWDMRAZQKW-CJNGLKHVSA-N	-1	1	382.464	2.479	40	30		GEEBMM
NC(=O)c1cc(-c2cs/c(=N/C3CC3)n2/N=C/c2ccccn2)ccc1[O-]	ZINC000103212056	527022679	/nfs/dbraw/zinc/02/26/79/527022679.db2.gz	FMNKLPAFUDNEHQ-MQOCBZJFSA-N	-1	1	379.445	2.361	40	30		GEEBMM
O=C([O-])CC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N([C@@H]2C=CCC2)C1=O	ZINC000005344323	570434692	/nfs/dbraw/zinc/43/46/92/570434692.db2.gz	NVHLGFFLIMZFDT-BOZKGETDSA-N	-1	1	388.405	2.422	40	30		GEEBMM
O=C([O-])CC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N([C@H]2C=CCC2)C1=O	ZINC000005344322	570434618	/nfs/dbraw/zinc/43/46/18/570434618.db2.gz	NVHLGFFLIMZFDT-NLDRDZSTSA-N	-1	1	388.405	2.422	40	30		GEEBMM
O=C1CSC(=S)N1/N=C/c1ccc([O-])c(I)c1	ZINC000409342050	231192445	/nfs/dbraw/zinc/19/24/45/231192445.db2.gz	BFJWTRDNRVPEPA-UUILKARUSA-N	-1	1	378.216	2.191	40	30		GEEBMM
COc1ccc(C(=O)C2C(=O)C(=O)N(CCC(=O)[O-])[C@H]2c2ccccn2)cc1	ZINC000019972750	523550675	/nfs/dbraw/zinc/55/06/75/523550675.db2.gz	GBYJMEXEBZOARH-KRWDZBQOSA-N	-1	1	382.372	2.143	40	30		GEEBMM
N#Cc1ccccc1Cn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000108402241	534814340	/nfs/dbraw/zinc/81/43/40/534814340.db2.gz	JZQRNBNABMBXOL-UHFFFAOYSA-N	-1	1	386.436	2.476	40	30		GEEBMM
O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[n-]c(N3CCOCC3)nc1N2	ZINC000020673817	526969160	/nfs/dbraw/zinc/96/91/60/526969160.db2.gz	IADRGPYDLIUPDZ-INIZCTEOSA-N	-1	1	378.432	2.171	40	30		GEEBMM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1ccc(Cl)cc1C	ZINC000102952080	570293504	/nfs/dbraw/zinc/29/35/04/570293504.db2.gz	BSRHJCAGNIMNNV-CQSZACIVSA-N	-1	1	379.796	2.050	40	30		GEEBMM
COC(=O)C([O-])=C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C	ZINC000102952080	570293507	/nfs/dbraw/zinc/29/35/07/570293507.db2.gz	BSRHJCAGNIMNNV-CQSZACIVSA-N	-1	1	379.796	2.050	40	30		GEEBMM
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000006029968	570464583	/nfs/dbraw/zinc/46/45/83/570464583.db2.gz	UQJJJWHKMMRQHM-IXJMWADBSA-N	-1	1	381.413	2.460	40	30		GEEBMM
O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])cc1O)[C@H]1C=C[C@@H]2CC1	ZINC000005567048	570263443	/nfs/dbraw/zinc/26/34/43/570263443.db2.gz	GYVXFQQQJCYEAG-PZCQKYJSSA-N	-1	1	391.221	2.391	40	30		GEEBMM
N#Cc1cccc(NC(=O)N2CCc3nc(N4CCCCC4)[n-]c(=O)c3C2)c1	ZINC000013564783	136201133	/nfs/dbraw/zinc/20/11/33/136201133.db2.gz	ZGRCXRMDBQXEST-UHFFFAOYSA-N	-1	1	378.436	2.222	40	30		GEEBMM
Cc1ccccc1[C@@H]1c2c(=O)[n-]c(N3CCOCC3)nc2NC2=C1C(=O)CCC2	ZINC000020673869	525396186	/nfs/dbraw/zinc/39/61/86/525396186.db2.gz	OACSWQPMFRBFDT-KRWDZBQOSA-N	-1	1	392.459	2.479	40	30		GEEBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1N1C(=O)CCC1=O	ZINC000225450399	570575324	/nfs/dbraw/zinc/57/53/24/570575324.db2.gz	LGEMXHBEZLGTPP-UHFFFAOYSA-N	-1	1	399.428	2.215	40	30		GEEBMM
C=CCc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1[O-]	ZINC000059139897	570650583	/nfs/dbraw/zinc/65/05/83/570650583.db2.gz	SUJFJGZFZUDPAG-UHFFFAOYSA-N	-1	1	395.278	2.482	40	30		GEEBMM
COC(=O)c1ccc([C@H]2c3c(nc(N)[n-]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000017080562	570918571	/nfs/dbraw/zinc/91/85/71/570918571.db2.gz	VFQYESIBNBKGQU-CQSZACIVSA-N	-1	1	394.431	2.339	40	30		GEEBMM