smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826045222	607345499	/nfs/dbraw/zinc/34/54/99/607345499.db2.gz	RYBQCPNRLKBODG-LLVKDONJSA-N	0	0	303.326	-0.360	20	50		DBGDRN
CN1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1	ZINC000826045224	607345571	/nfs/dbraw/zinc/34/55/71/607345571.db2.gz	RYBQCPNRLKBODG-NSHDSACASA-N	0	0	303.326	-0.360	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC(=O)NC1	ZINC000826479845	607348842	/nfs/dbraw/zinc/34/88/42/607348842.db2.gz	JWBNRWXKQDCSPC-SECBINFHSA-N	0	0	301.310	-0.164	20	50		DBGDRN
O=C([O-])CCC[NH+]1CCC(=NNC(=O)[C@H]2COCCO2)CC1	ZINC000833226940	600689914	/nfs/dbraw/zinc/68/99/14/600689914.db2.gz	VLRDUUAYQPUOQK-GFCCVEGCSA-N	0	0	313.354	-0.165	20	50		DBGDRN
O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826423811	607725981	/nfs/dbraw/zinc/72/59/81/607725981.db2.gz	HWQZZTDIHIRBNX-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NNC(=O)C3CC3)C[C@@H]21	ZINC000834191021	605459928	/nfs/dbraw/zinc/45/99/28/605459928.db2.gz	YMOPGLFYMBCFAN-GRYCIOLGSA-N	0	0	324.381	-0.088	20	50		DBGDRN
O=C(NN=Cc1ccccc1-c1nn[nH]n1)C(=O)N1CCCC1	ZINC000826444695	607888017	/nfs/dbraw/zinc/88/80/17/607888017.db2.gz	QNNHFDYLEXFSCK-UHFFFAOYSA-N	0	0	313.321	-0.061	20	50		DBGDRN
C#CCOCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823850025	607888970	/nfs/dbraw/zinc/88/89/70/607888970.db2.gz	HYQRUPXNNZWMPM-UHFFFAOYSA-N	0	0	314.305	-0.332	20	50		DBGDRN
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccnnc1	ZINC000826445381	607928954	/nfs/dbraw/zinc/92/89/54/607928954.db2.gz	RQBGCGVCPVNNHW-UHFFFAOYSA-N	0	0	310.277	-0.269	20	50		DBGDRN
NC(=O)NC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826392190	608471681	/nfs/dbraw/zinc/47/16/81/608471681.db2.gz	PXCYVXWPALJWTA-UHFFFAOYSA-N	0	0	302.298	-0.489	20	50		DBGDRN
CN(C)C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825846128	609215260	/nfs/dbraw/zinc/21/52/60/609215260.db2.gz	SBFODGIONZAVRW-VIFPVBQESA-N	0	0	305.298	-0.798	20	50		DBGDRN
CCNC(=O)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825465001	609215813	/nfs/dbraw/zinc/21/58/13/609215813.db2.gz	GAXMAEMTMYKFNT-UHFFFAOYSA-N	0	0	317.309	-0.846	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000826138422	609523606	/nfs/dbraw/zinc/52/36/06/609523606.db2.gz	UMFYUVNBAVBMKL-UHFFFAOYSA-N	0	0	303.282	-0.327	20	50		DBGDRN
Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737614778	945103796	/nfs/dbraw/zinc/10/37/96/945103796.db2.gz	ZDPAGSSBPGUQHT-UHFFFAOYSA-N	0	0	312.293	-0.325	20	50		DBGDRN
O=C(NNS(=O)(=O)C1CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738134788	945223437	/nfs/dbraw/zinc/22/34/37/945223437.db2.gz	TYFGRZAORUSAHB-UHFFFAOYSA-N	0	0	308.323	-0.407	20	50		DBGDRN
C[C@@H](C#N)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000819844314	945298251	/nfs/dbraw/zinc/29/82/51/945298251.db2.gz	CALMYJWGXPKOPF-QMMMGPOBSA-N	0	0	315.293	-0.447	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2ccc(-c3nn[nH]n3)cn2)n1	ZINC000737158229	944972800	/nfs/dbraw/zinc/97/28/00/944972800.db2.gz	BIQIAQABVNTGCG-UHFFFAOYSA-N	0	0	313.281	-0.183	20	50		DBGDRN
CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000820836980	945565615	/nfs/dbraw/zinc/56/56/15/945565615.db2.gz	FRBYVSYOMVKYFQ-UHFFFAOYSA-N	0	0	318.293	-0.419	20	50		DBGDRN
C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N(C)C	ZINC000821995074	945915752	/nfs/dbraw/zinc/91/57/52/945915752.db2.gz	ZPJLIRSNAGLXQS-QMMMGPOBSA-N	0	0	303.326	-0.422	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CO)cc(-c2nn[nH]n2)n1C	ZINC000822029070	945952298	/nfs/dbraw/zinc/95/22/98/945952298.db2.gz	VABXIMATTPOSIW-UMWYPWBCSA-N	0	0	315.337	-0.082	20	50		DBGDRN
O=C(Cc1ccccn1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823115159	946317170	/nfs/dbraw/zinc/31/71/70/946317170.db2.gz	LVDZQQNOSUMSTG-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1COCCO1	ZINC000823273136	946374321	/nfs/dbraw/zinc/37/43/21/946374321.db2.gz	FOTHSZMMYLVTSS-NSHDSACASA-N	0	0	302.294	-0.268	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1COCCO1	ZINC000823273501	946382679	/nfs/dbraw/zinc/38/26/79/946382679.db2.gz	PQQOLVOEWWGHST-LLVKDONJSA-N	0	0	302.294	-0.268	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@H]1COCCO1	ZINC000823273735	946388692	/nfs/dbraw/zinc/38/86/92/946388692.db2.gz	WJJZAZWFTXAWDU-MRVPVSSYSA-N	0	0	308.323	-0.206	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)C(C)(C)C)c1-c1nn[nH]n1	ZINC000826347993	948062401	/nfs/dbraw/zinc/06/24/01/948062401.db2.gz	OWNVLUCCBDJHMO-UHFFFAOYSA-N	0	0	307.314	-0.101	20	50		DBGDRN
O=C(NNC(=O)c1ccccc1O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826445395	948310757	/nfs/dbraw/zinc/31/07/57/948310757.db2.gz	SDZFYNOMNSYECI-UHFFFAOYSA-N	0	0	313.277	-0.025	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)C(C)(C)C(=O)[O-])C[C@H](C)O1	ZINC001589394892	954357868	/nfs/dbraw/zinc/35/78/68/954357868.db2.gz	CTPGOVDOQVMICV-AOOOYVTPSA-N	0	0	315.370	-0.256	20	50		DBGDRN
Cn1cc(/C=C(\C#N)C(=O)NC2CC[NH+](CC(=O)[O-])CC2)cn1	ZINC001594537828	955591620	/nfs/dbraw/zinc/59/16/20/955591620.db2.gz	LYWZAZQCDFYVEC-WUXMJOGZSA-N	0	0	317.349	-0.008	20	50		DBGDRN
CCC(=O)NNC(=O)[C@@H](C)[N@@H+]1CC[C@@](COC)(C(=O)[O-])C1	ZINC001603486269	973409412	/nfs/dbraw/zinc/40/94/12/973409412.db2.gz	ITYBGZRDRAQELC-NOZJJQNGSA-N	0	0	301.343	-0.645	20	50		DBGDRN
C[C@H]1C[NH+](CCC(=O)NNC(=O)CN(C)C(=O)[O-])C[C@H](C)O1	ZINC000736813180	978358459	/nfs/dbraw/zinc/35/84/59/978358459.db2.gz	ZRMBBGLTCDCBBU-UWVGGRQHSA-N	0	0	316.358	-0.757	20	50		DBGDRN
C[NH+]1CCC(n2cc(NC(=O)NNC(=O)C(=O)[O-])cn2)CC1	ZINC001598587829	993410230	/nfs/dbraw/zinc/41/02/30/993410230.db2.gz	GSGBUAMNAJDHGW-UHFFFAOYSA-N	0	0	310.314	-0.613	20	50		DBGDRN
O=C(Cn1cccnc1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826424297	607349783	/nfs/dbraw/zinc/34/97/83/607349783.db2.gz	FMVAPMQYWNLWLA-UHFFFAOYSA-N	0	0	312.293	-0.433	20	50		DBGDRN
C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)C1CC1	ZINC000833629557	605198455	/nfs/dbraw/zinc/19/84/55/605198455.db2.gz	WXDNDOCGUREGAO-SNVBAGLBSA-N	0	0	312.370	-0.975	20	50		DBGDRN
C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN(C)C(N)=O	ZINC000824746599	608862762	/nfs/dbraw/zinc/86/27/62/608862762.db2.gz	WNUORXPPSCITBW-ZETCQYMHSA-N	0	0	305.298	-0.324	20	50		DBGDRN
CCNC(=O)N(C)NC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000825471056	608873946	/nfs/dbraw/zinc/87/39/46/608873946.db2.gz	MWNCBVWODFULJL-UHFFFAOYSA-N	0	0	319.325	-0.062	20	50		DBGDRN
C[C@H](C#N)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824035312	609411486	/nfs/dbraw/zinc/41/14/86/609411486.db2.gz	WSGMFXGCYJVDFZ-MRVPVSSYSA-N	0	0	314.309	-0.030	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826322152	609457231	/nfs/dbraw/zinc/45/72/31/609457231.db2.gz	AMGNDTAUBJKBDR-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000826138448	609523739	/nfs/dbraw/zinc/52/37/39/609523739.db2.gz	VIYDDNZOJDVSQV-UHFFFAOYSA-N	0	0	309.311	-0.266	20	50		DBGDRN
O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737807884	945129082	/nfs/dbraw/zinc/12/90/82/945129082.db2.gz	NMVCOPUMTAQKSV-UHFFFAOYSA-N	0	0	315.215	-0.025	20	50		DBGDRN
O=C(NCCn1cncn1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000738094149	945187169	/nfs/dbraw/zinc/18/71/69/945187169.db2.gz	CEYYJPKXPTWIQY-UHFFFAOYSA-N	0	0	314.313	-0.216	20	50		DBGDRN
CC(=O)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735457668	944660978	/nfs/dbraw/zinc/66/09/78/944660978.db2.gz	AXBKKYHEECDQEQ-UHFFFAOYSA-N	0	0	317.309	-0.894	20	50		DBGDRN
COCCN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736987433	944927190	/nfs/dbraw/zinc/92/71/90/944927190.db2.gz	CFNUITUMEYJBRD-UHFFFAOYSA-N	0	0	319.325	-0.201	20	50		DBGDRN
COCCOCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000737005270	944931841	/nfs/dbraw/zinc/93/18/41/944931841.db2.gz	FRXTZGBJVAEBLF-UHFFFAOYSA-N	0	0	320.309	-0.709	20	50		DBGDRN
COCC(=O)NN[C@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC000821680399	945801345	/nfs/dbraw/zinc/80/13/45/945801345.db2.gz	ICNHZTQOYCIGEO-NSHDSACASA-N	0	0	320.309	-0.652	20	50		DBGDRN
COCC(=O)NNC(=S)Nc1ccccc1-c1nn[nH]n1	ZINC000821680549	945802180	/nfs/dbraw/zinc/80/21/80/945802180.db2.gz	MKLNKWGMOHBSIA-UHFFFAOYSA-N	0	0	307.339	-0.169	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1	ZINC000822669450	946150397	/nfs/dbraw/zinc/15/03/97/946150397.db2.gz	KGTYDFIWAICWFV-UHFFFAOYSA-N	0	0	301.270	-0.997	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)NC1CC1	ZINC000823273138	946376193	/nfs/dbraw/zinc/37/61/93/946376193.db2.gz	FPGGWYUKEBCKJM-UHFFFAOYSA-N	0	0	317.284	-0.266	20	50		DBGDRN
C#CCSCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001573289613	946887973	/nfs/dbraw/zinc/88/79/73/946887973.db2.gz	OJMKZIHODBLFRP-UHFFFAOYSA-N	0	0	316.346	-0.006	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)c2ccc[nH]2)c1-c1nn[nH]n1	ZINC000826348340	948070502	/nfs/dbraw/zinc/07/05/02/948070502.db2.gz	HYZVLNFHCQYMCR-UHFFFAOYSA-N	0	0	316.281	-0.505	20	50		DBGDRN
Cn1cc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1	ZINC000826361327	948131312	/nfs/dbraw/zinc/13/13/12/948131312.db2.gz	TVAHJEMADILQKR-UHFFFAOYSA-N	0	0	314.313	-0.179	20	50		DBGDRN
O=C([O-])CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)C1=O	ZINC001595073582	951614972	/nfs/dbraw/zinc/61/49/72/951614972.db2.gz	APGUPXXPAKWLRR-PYHGXSLLSA-N	0	0	303.156	-0.003	20	50		DBGDRN
C[C@H](C[NH+]1CCCCC1)C(=O)NN=Cc1cn(CC(=O)[O-])nn1	ZINC001340610171	962110989	/nfs/dbraw/zinc/11/09/89/962110989.db2.gz	XWFZGDZIZFENCT-LLVKDONJSA-N	0	0	322.369	-0.065	20	50		DBGDRN
CC(C)C(=O)NNC(=O)CN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C	ZINC001590939533	990975877	/nfs/dbraw/zinc/97/58/77/990975877.db2.gz	YQPPIDHNARGKJV-NSHDSACASA-N	0	0	314.386	-0.729	20	50		DBGDRN
C[NH+]1CCC(CNC(=S)NNC(=O)NCC(=O)[O-])CC1	ZINC001598584439	993361954	/nfs/dbraw/zinc/36/19/54/993361954.db2.gz	USCGPKOCQNJZRP-UHFFFAOYSA-N	0	0	303.388	-0.909	20	50		DBGDRN
C[N@@H+]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H](C(=O)[O-])C1	ZINC001598614637	993856482	/nfs/dbraw/zinc/85/64/82/993856482.db2.gz	ASNMQIILPLIIOA-JTQLQIEISA-N	0	0	314.386	-0.872	20	50		DBGDRN
NC(=O)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1	ZINC000826389500	607334549	/nfs/dbraw/zinc/33/45/49/607334549.db2.gz	ZVSOLTXREXGWRV-UHFFFAOYSA-N	0	0	301.310	-0.035	20	50		DBGDRN
C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O	ZINC000824041199	607335244	/nfs/dbraw/zinc/33/52/44/607335244.db2.gz	ZEYFQJDSILFLHV-ZETCQYMHSA-N	0	0	310.339	-0.257	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC(=O)NC1	ZINC000826479846	607348674	/nfs/dbraw/zinc/34/86/74/607348674.db2.gz	JWBNRWXKQDCSPC-VIFPVBQESA-N	0	0	301.310	-0.164	20	50		DBGDRN
C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000824449246	607350068	/nfs/dbraw/zinc/35/00/68/607350068.db2.gz	MYLSJECVDCKNMB-QMMMGPOBSA-N	0	0	324.366	-0.010	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1	ZINC000826220954	607696965	/nfs/dbraw/zinc/69/69/65/607696965.db2.gz	IEDXRFJMTBWVIH-UHFFFAOYSA-N	0	0	301.270	-0.250	20	50		DBGDRN
O=C(NCc1ccco1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826443668	607709314	/nfs/dbraw/zinc/70/93/14/607709314.db2.gz	YMLHWLHIGAFEQX-UHFFFAOYSA-N	0	0	316.281	-0.068	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC(=O)NC1	ZINC000826479534	607725116	/nfs/dbraw/zinc/72/51/16/607725116.db2.gz	ANSBXEPDZKLODR-SECBINFHSA-N	0	0	301.310	-0.164	20	50		DBGDRN
C[C@H](CS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824449005	607727546	/nfs/dbraw/zinc/72/75/46/607727546.db2.gz	MBNYZYBQAYRZBL-MRVPVSSYSA-N	0	0	324.366	-0.010	20	50		DBGDRN
CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000826018455	607729243	/nfs/dbraw/zinc/72/92/43/607729243.db2.gz	ZOCBDCGMLFARMT-SECBINFHSA-N	0	0	301.310	-0.212	20	50		DBGDRN
COC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)NNC(=O)c1ccccc1	ZINC000833721475	605241198	/nfs/dbraw/zinc/24/11/98/605241198.db2.gz	COFZFHSEZNEFBU-HNNXBMFYSA-N	0	0	323.349	-0.083	20	50		DBGDRN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)NNC(=O)C3CC3)C[C@H]21	ZINC000834191025	605460419	/nfs/dbraw/zinc/46/04/19/605460419.db2.gz	YMOPGLFYMBCFAN-QJPTWQEYSA-N	0	0	324.381	-0.088	20	50		DBGDRN
CC(C)NC(=O)C(=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000824300956	607884969	/nfs/dbraw/zinc/88/49/69/607884969.db2.gz	OEBOATUSNLNHNX-UHFFFAOYSA-N	0	0	301.310	-0.159	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)C(C)(C)C)n1	ZINC000826357141	608814904	/nfs/dbraw/zinc/81/49/04/608814904.db2.gz	SSFLNQGZVOEGJU-UHFFFAOYSA-N	0	0	307.318	-0.201	20	50		DBGDRN
O=C(NCc1ccco1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826443164	609446554	/nfs/dbraw/zinc/44/65/54/609446554.db2.gz	DDLWHNWPOQVZCK-UHFFFAOYSA-N	0	0	316.281	-0.068	20	50		DBGDRN
O=C(Cc1ccccn1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826423738	609457986	/nfs/dbraw/zinc/45/79/86/609457986.db2.gz	DFFHGXAXFHDFSI-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NNC(=O)[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129613	945202839	/nfs/dbraw/zinc/20/28/39/945202839.db2.gz	FDWHZODHQTUVIC-SNVBAGLBSA-N	0	0	302.294	-0.336	20	50		DBGDRN
O=C(NN=C1CCS(=O)(=O)C1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129550	945203493	/nfs/dbraw/zinc/20/34/93/945203493.db2.gz	USIXRCKUJFBFJX-UHFFFAOYSA-N	0	0	320.334	-0.229	20	50		DBGDRN
O=C(NNC(=O)[C@H]1COCCO1)c1cccc(-c2nn[nH]n2)c1	ZINC000738130229	945209220	/nfs/dbraw/zinc/20/92/20/945209220.db2.gz	OELUUGCDRTXCDK-SNVBAGLBSA-N	0	0	318.293	-0.957	20	50		DBGDRN
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=COCC1	ZINC000738136935	945240103	/nfs/dbraw/zinc/24/01/03/945240103.db2.gz	QECUMMLDHAXBKP-UHFFFAOYSA-N	0	0	300.278	-0.068	20	50		DBGDRN
CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000819827023	945296258	/nfs/dbraw/zinc/29/62/58/945296258.db2.gz	PFFKGEFVPATVLX-UHFFFAOYSA-N	0	0	304.266	-0.809	20	50		DBGDRN
COC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736968790	944922519	/nfs/dbraw/zinc/92/25/19/944922519.db2.gz	TZVSXEHZXRIHMQ-QMMMGPOBSA-N	0	0	304.310	-0.090	20	50		DBGDRN
COC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736968785	944922692	/nfs/dbraw/zinc/92/26/92/944922692.db2.gz	TZVSXEHZXRIHMQ-MRVPVSSYSA-N	0	0	304.310	-0.090	20	50		DBGDRN
COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000821687830	945813504	/nfs/dbraw/zinc/81/35/04/945813504.db2.gz	QMRQLMFUWYAXHV-UHFFFAOYSA-N	0	0	322.329	-0.814	20	50		DBGDRN
COCCO[C@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	ZINC000821692090	945822914	/nfs/dbraw/zinc/82/29/14/945822914.db2.gz	NYWXFWYBQYLCFR-MRVPVSSYSA-N	0	0	308.298	-0.039	20	50		DBGDRN
N#CC(C#N)=CNNC(=O)COc1ccccc1-c1nn[nH]n1	ZINC000822795711	946176752	/nfs/dbraw/zinc/17/67/52/946176752.db2.gz	GEHPCVUXCBPSKE-UHFFFAOYSA-N	0	0	310.277	-0.203	20	50		DBGDRN
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)C(=O)NC1CC1	ZINC000823272939	946370190	/nfs/dbraw/zinc/37/01/90/946370190.db2.gz	AEFKOKLQTRPJDQ-UHFFFAOYSA-N	0	0	305.323	-0.343	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1COCCO1	ZINC000823273736	946387664	/nfs/dbraw/zinc/38/76/64/946387664.db2.gz	WJJZAZWFTXAWDU-QMMMGPOBSA-N	0	0	308.323	-0.206	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)NCC2CC2)c1-c1nn[nH]n1	ZINC000826348393	948072993	/nfs/dbraw/zinc/07/29/93/948072993.db2.gz	KBWCDICRZIIJPC-UHFFFAOYSA-N	0	0	320.313	-0.554	20	50		DBGDRN
O=C(NNC(=O)c1ccccc1O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826444968	948309230	/nfs/dbraw/zinc/30/92/30/948309230.db2.gz	AYLVIAPLXGNVPC-UHFFFAOYSA-N	0	0	313.277	-0.025	20	50		DBGDRN
O=C([O-])CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)C1=O	ZINC001595073581	951614177	/nfs/dbraw/zinc/61/41/77/951614177.db2.gz	APGUPXXPAKWLRR-JIOCBJNQSA-N	0	0	303.156	-0.003	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)C(C)(C)C(=O)[O-])C[C@@H](C)O1	ZINC001589394896	954359745	/nfs/dbraw/zinc/35/97/45/954359745.db2.gz	CTPGOVDOQVMICV-NXEZZACHSA-N	0	0	315.370	-0.256	20	50		DBGDRN
Cc1cc(NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc[nH+]1	ZINC001594325396	958165318	/nfs/dbraw/zinc/16/53/18/958165318.db2.gz	VOONNAGLQZBCJK-NSHDSACASA-N	0	0	306.322	-0.422	20	50		DBGDRN
CCC(=O)NNC(=O)[C@H](C)[N@@H+]1CC[C@@](COC)(C(=O)[O-])C1	ZINC001603486271	973409923	/nfs/dbraw/zinc/40/99/23/973409923.db2.gz	ITYBGZRDRAQELC-TVQRCGJNSA-N	0	0	301.343	-0.645	20	50		DBGDRN
C[C@H](NC(=O)[O-])C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000739180944	978620120	/nfs/dbraw/zinc/62/01/20/978620120.db2.gz	HHJAMWJZUZQHMM-AEJSXWLSSA-N	0	0	316.358	-0.711	20	50		DBGDRN
CN1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000826017199	607351554	/nfs/dbraw/zinc/35/15/54/607351554.db2.gz	IITFVMIEZGLFBP-SECBINFHSA-N	0	0	301.310	-0.212	20	50		DBGDRN
O=C([O-])CCC[NH+]1CCC(=NNC(=O)[C@@H]2COCCO2)CC1	ZINC000833226941	600690478	/nfs/dbraw/zinc/69/04/78/600690478.db2.gz	VLRDUUAYQPUOQK-LBPRGKRZSA-N	0	0	313.354	-0.165	20	50		DBGDRN
C[C@H](C[N@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000827442247	601010765	/nfs/dbraw/zinc/01/07/65/601010765.db2.gz	HEDLHXCVHNXQBR-SNVBAGLBSA-N	0	0	318.333	-0.028	20	50		DBGDRN
COCCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826156471	607708515	/nfs/dbraw/zinc/70/85/15/607708515.db2.gz	FJSZKWCWDKIOAL-UHFFFAOYSA-N	0	0	308.302	-0.825	20	50		DBGDRN
CC[NH+](CC)CCC(=O)NN=C(C)c1cn(CC(=O)[O-])nn1	ZINC000829671966	604783746	/nfs/dbraw/zinc/78/37/46/604783746.db2.gz	UXOZLFCUUFHPKM-UHFFFAOYSA-N	0	0	310.358	-0.065	20	50		DBGDRN
N#Cc1ncn(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	ZINC000826388265	607728154	/nfs/dbraw/zinc/72/81/54/607728154.db2.gz	PMNWFGMZMRBVSX-UHFFFAOYSA-N	0	0	310.281	-0.527	20	50		DBGDRN
COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)NNC(=O)c1ccccc1	ZINC000833721476	605241137	/nfs/dbraw/zinc/24/11/37/605241137.db2.gz	COFZFHSEZNEFBU-OAHLLOKOSA-N	0	0	323.349	-0.083	20	50		DBGDRN
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCOC1	ZINC000826445570	607758067	/nfs/dbraw/zinc/75/80/67/607758067.db2.gz	ZOBLXPYYDBFPOH-SNVBAGLBSA-N	0	0	317.309	-0.400	20	50		DBGDRN
O=C([O-])NCC(=O)NNC(=O)NC1CC[NH+](CC2CC2)CC1	ZINC000834202379	605504355	/nfs/dbraw/zinc/50/43/55/605504355.db2.gz	SEVNVCWIEQOIGL-UHFFFAOYSA-N	0	0	313.358	-0.541	20	50		DBGDRN
Cc1cccnc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000826308081	607763546	/nfs/dbraw/zinc/76/35/46/607763546.db2.gz	JAJNVNNXCOUNJP-UHFFFAOYSA-N	0	0	312.293	-0.027	20	50		DBGDRN
C#CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823850958	607966968	/nfs/dbraw/zinc/96/69/68/607966968.db2.gz	WKOVHIUEWGFLIV-UHFFFAOYSA-N	0	0	301.335	-0.391	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)NC[C@H](C)O)cc(-c2nn[nH]n2)n1C	ZINC000826235138	608630502	/nfs/dbraw/zinc/63/05/02/608630502.db2.gz	CMSHXLSXYLZGSP-UMWYPWBCSA-N	0	0	315.337	-0.082	20	50		DBGDRN
CCNC(=O)N(C)NC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000825471281	609165804	/nfs/dbraw/zinc/16/58/04/609165804.db2.gz	QTLAIURCZABSAX-UHFFFAOYSA-N	0	0	318.341	-0.029	20	50		DBGDRN
O=C(NN=c1nccc[nH]1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826449943	609193177	/nfs/dbraw/zinc/19/31/77/609193177.db2.gz	QAOUNLJNSVQPLD-SNVBAGLBSA-N	0	0	312.293	-0.167	20	50		DBGDRN
O=C(NNC(=O)C1CCC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444479	609229057	/nfs/dbraw/zinc/22/90/57/609229057.db2.gz	IJXGRDDNZNATLO-NSHDSACASA-N	0	0	316.321	-0.152	20	50		DBGDRN
CCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000049298391	805444175	/nfs/dbraw/zinc/44/41/75/805444175.db2.gz	NHZAXXPOBYIAIJ-UHFFFAOYSA-N	0	0	300.340	-0.312	20	50		DBGDRN
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1ccncc1	ZINC000738136189	945231120	/nfs/dbraw/zinc/23/11/20/945231120.db2.gz	HESMDVXCOAPYLD-UHFFFAOYSA-N	0	0	310.277	-0.269	20	50		DBGDRN
CCOCC(=O)NNC(=O)NCc1cccc(-c2nn[nH]n2)c1	ZINC000736608911	944853932	/nfs/dbraw/zinc/85/39/32/944853932.db2.gz	NLGRKMUJUOEKMW-UHFFFAOYSA-N	0	0	319.325	-0.266	20	50		DBGDRN
CCOCC(=O)NNC(=O)NCc1ccc(-c2nn[nH]n2)cc1	ZINC000736607993	944854384	/nfs/dbraw/zinc/85/43/84/944854384.db2.gz	FIFGABUMGWCEOM-UHFFFAOYSA-N	0	0	319.325	-0.266	20	50		DBGDRN
O=C(CN1CCCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000822996824	946257818	/nfs/dbraw/zinc/25/78/18/946257818.db2.gz	JRZJFPCPAXTBQK-UHFFFAOYSA-N	0	0	315.337	-0.277	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COCCO1	ZINC000823273502	946382265	/nfs/dbraw/zinc/38/22/65/946382265.db2.gz	PQQOLVOEWWGHST-NSHDSACASA-N	0	0	302.294	-0.268	20	50		DBGDRN
CC1CC[NH+](CCC(=O)NN=Cc2cn(CC(=O)[O-])nn2)CC1	ZINC001333605417	961721617	/nfs/dbraw/zinc/72/16/17/961721617.db2.gz	LUCCHJCQKJAKEX-UHFFFAOYSA-N	0	0	322.369	-0.065	20	50		DBGDRN
O=C([O-])C[NH+]1CCN(CC(=O)NNC(=O)c2ccccc2)CC1	ZINC000319613487	970553787	/nfs/dbraw/zinc/55/37/87/970553787.db2.gz	NQPKRZLNWIQJIE-UHFFFAOYSA-N	0	0	320.349	-0.850	20	50		DBGDRN
Cc1c[nH+]ccc1NNC(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC001605374432	973324772	/nfs/dbraw/zinc/32/47/72/973324772.db2.gz	AGRBWMSYMDXBFM-UHFFFAOYSA-N	0	0	315.289	-0.013	20	50		DBGDRN
C[C@H]1C[NH+](CCC(=O)NNC(=O)CCNC(=O)[O-])C[C@H](C)O1	ZINC000736810344	978358436	/nfs/dbraw/zinc/35/84/36/978358436.db2.gz	OBWMMJJZYFKEJY-UWVGGRQHSA-N	0	0	316.358	-0.709	20	50		DBGDRN
C[N@@H+]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@H](C(=O)[O-])C1	ZINC001598614639	993856021	/nfs/dbraw/zinc/85/60/21/993856021.db2.gz	ASNMQIILPLIIOA-SNVBAGLBSA-N	0	0	314.386	-0.872	20	50		DBGDRN
C[N@@H+]1C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[C@H](c2ccccc2)C1	ZINC001598628534	994138106	/nfs/dbraw/zinc/13/81/06/994138106.db2.gz	GVYWLWSTRFWCOM-NEPJUHHUSA-N	0	0	320.349	-0.253	20	50		DBGDRN
C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)S(C)(=O)=O	ZINC000824041198	607335219	/nfs/dbraw/zinc/33/52/19/607335219.db2.gz	ZEYFQJDSILFLHV-SSDOTTSWSA-N	0	0	310.339	-0.257	20	50		DBGDRN
C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NNC(=O)NCCNC(=O)[O-]	ZINC000825873254	603803059	/nfs/dbraw/zinc/80/30/59/603803059.db2.gz	SRDNYHKKKFSBNU-DTORHVGOSA-N	0	0	301.347	-0.543	20	50		DBGDRN
C[C@H]1CC[C@H](C)[NH+]1CC(=O)NNC(=O)NCCNC(=O)[O-]	ZINC000825873255	603803248	/nfs/dbraw/zinc/80/32/48/603803248.db2.gz	SRDNYHKKKFSBNU-IUCAKERBSA-N	0	0	301.347	-0.543	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000826448242	607730704	/nfs/dbraw/zinc/73/07/04/607730704.db2.gz	NNTVGKCLZYIIEH-VIFPVBQESA-N	0	0	322.350	-0.256	20	50		DBGDRN
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCOC1	ZINC000826445569	607758082	/nfs/dbraw/zinc/75/80/82/607758082.db2.gz	ZOBLXPYYDBFPOH-JTQLQIEISA-N	0	0	317.309	-0.400	20	50		DBGDRN
O=C(NNC(=O)C1CC1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444739	609184377	/nfs/dbraw/zinc/18/43/77/609184377.db2.gz	SAEQIEOSQWDOLL-JTQLQIEISA-N	0	0	302.294	-0.543	20	50		DBGDRN
O=C(NN=c1nccc[nH]1)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826449942	609193188	/nfs/dbraw/zinc/19/31/88/609193188.db2.gz	QAOUNLJNSVQPLD-JTQLQIEISA-N	0	0	312.293	-0.167	20	50		DBGDRN
CN(C)c1nccc(=NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[nH]1	ZINC000825888893	609216131	/nfs/dbraw/zinc/21/61/31/609216131.db2.gz	YLCAFPXUUGXMON-UHFFFAOYSA-N	0	0	314.313	-0.192	20	50		DBGDRN
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)nc1)c1cccnc1	ZINC000738137139	945242619	/nfs/dbraw/zinc/24/26/19/945242619.db2.gz	RLOOBIGJKUAAAP-UHFFFAOYSA-N	0	0	310.277	-0.269	20	50		DBGDRN
CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819826609	945296869	/nfs/dbraw/zinc/29/68/69/945296869.db2.gz	LJNZNGBDGXGXQB-UHFFFAOYSA-N	0	0	304.266	-0.809	20	50		DBGDRN
C=CCOCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735437020	944651355	/nfs/dbraw/zinc/65/13/55/944651355.db2.gz	CTDABMFXSGJOFA-UHFFFAOYSA-N	0	0	302.294	-0.170	20	50		DBGDRN
CN1CC[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O	ZINC000736858559	944901148	/nfs/dbraw/zinc/90/11/48/944901148.db2.gz	ZWWRPGGSALADNI-SNVBAGLBSA-N	0	0	316.325	-0.277	20	50		DBGDRN
CNC(=O)NNC(=O)CSc1ccc(-c2nn[nH]n2)cc1	ZINC000736878972	944904283	/nfs/dbraw/zinc/90/42/83/944904283.db2.gz	MGSKTESVJPNEHL-UHFFFAOYSA-N	0	0	307.339	-0.081	20	50		DBGDRN
COC[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736972346	944921592	/nfs/dbraw/zinc/92/15/92/944921592.db2.gz	XMNMZEKVDFJRDO-QMMMGPOBSA-N	0	0	319.325	-0.154	20	50		DBGDRN
Cn1cccc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000822690386	946157750	/nfs/dbraw/zinc/15/77/50/946157750.db2.gz	XLQLPJCYMQCWRK-UHFFFAOYSA-N	0	0	300.282	-0.392	20	50		DBGDRN
Cn1cccc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000822688897	946157896	/nfs/dbraw/zinc/15/78/96/946157896.db2.gz	CMBMQUDUSZJDAZ-UHFFFAOYSA-N	0	0	314.309	-0.382	20	50		DBGDRN
O=C(CC(F)(F)F)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000822936452	946222470	/nfs/dbraw/zinc/22/24/70/946222470.db2.gz	UXWSYVJCUUIHFJ-UHFFFAOYSA-N	0	0	303.204	-0.092	20	50		DBGDRN
O=C(Cc1ccon1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823115628	946318570	/nfs/dbraw/zinc/31/85/70/946318570.db2.gz	TUORGZIVQIBTPT-UHFFFAOYSA-N	0	0	313.277	-0.142	20	50		DBGDRN
O=C(NN=Cc1cccc(-c2nn[nH]n2)c1)[C@H]1COCCO1	ZINC000823273135	946376060	/nfs/dbraw/zinc/37/60/60/946376060.db2.gz	FOTHSZMMYLVTSS-LLVKDONJSA-N	0	0	302.294	-0.268	20	50		DBGDRN
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)[C@H]1COCCO1	ZINC000823273323	946378513	/nfs/dbraw/zinc/37/85/13/946378513.db2.gz	JTCUHXUZZWXXBU-SECBINFHSA-N	0	0	308.323	-0.206	20	50		DBGDRN
O=C(CN1CCOCC1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826410969	948247626	/nfs/dbraw/zinc/24/76/26/948247626.db2.gz	GBFXKNFQGLFNTO-UHFFFAOYSA-N	0	0	303.326	-0.358	20	50		DBGDRN
CC(C)(C)C(=O)NNC(=O)C[N@@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001588630872	959605223	/nfs/dbraw/zinc/60/52/23/959605223.db2.gz	MAGDFQMXOPIONG-XPTSAGLGSA-N	0	0	313.354	-0.787	20	50		DBGDRN
C[C@H](C(=O)[O-])C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC001610100758	970667178	/nfs/dbraw/zinc/66/71/78/970667178.db2.gz	KYXSANYJHSXCKR-AEJSXWLSSA-N	0	0	301.343	-0.646	20	50		DBGDRN
C[C@H](CNC(=O)NNC(=O)C(=O)[O-])[N@H+](C)Cc1ccccc1	ZINC001592676092	979093728	/nfs/dbraw/zinc/09/37/28/979093728.db2.gz	KPEHAVASNONPRY-SNVBAGLBSA-N	0	0	308.338	-0.078	20	50		DBGDRN
C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NNC(=O)C(=O)[O-]	ZINC001599890810	984691769	/nfs/dbraw/zinc/69/17/69/984691769.db2.gz	GMQDAZVFEBDBTF-SNVBAGLBSA-N	0	0	308.338	-0.078	20	50		DBGDRN
O=C(CN1CCCC1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826410633	607334149	/nfs/dbraw/zinc/33/41/49/607334149.db2.gz	SZYDYMHVXJGIKO-UHFFFAOYSA-N	0	0	301.310	-0.068	20	50		DBGDRN
O=C(CNC(=O)C1CC1)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826411826	607335991	/nfs/dbraw/zinc/33/59/91/607335991.db2.gz	PBGBSCVPXPFHHW-UHFFFAOYSA-N	0	0	301.310	-0.164	20	50		DBGDRN
C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000824449245	607350315	/nfs/dbraw/zinc/35/03/15/607350315.db2.gz	MYLSJECVDCKNMB-MRVPVSSYSA-N	0	0	324.366	-0.010	20	50		DBGDRN
O=C(CN1CCCC1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826410707	607355438	/nfs/dbraw/zinc/35/54/38/607355438.db2.gz	WDDFKKSCPBVFTM-UHFFFAOYSA-N	0	0	301.310	-0.068	20	50		DBGDRN
O=C(Cn1cccnc1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826424692	607726270	/nfs/dbraw/zinc/72/62/70/607726270.db2.gz	YPTDVRKYCWLKLC-UHFFFAOYSA-N	0	0	312.293	-0.433	20	50		DBGDRN
O=C(NNC(=O)c1ccnnc1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826445322	607928868	/nfs/dbraw/zinc/92/88/68/607928868.db2.gz	PJAUTGGYYKVQSY-UHFFFAOYSA-N	0	0	310.277	-0.269	20	50		DBGDRN
CN(C)c1nccc(=NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[nH]1	ZINC000825887923	608164563	/nfs/dbraw/zinc/16/45/63/608164563.db2.gz	LSVZAKWFICIEHS-UHFFFAOYSA-N	0	0	314.313	-0.192	20	50		DBGDRN
O=C(CNc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CC1	ZINC000826414459	608215388	/nfs/dbraw/zinc/21/53/88/608215388.db2.gz	XASVXVLIZZNYCN-UHFFFAOYSA-N	0	0	302.298	-0.769	20	50		DBGDRN
CCNC(=O)N(C)NC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000825470233	609165787	/nfs/dbraw/zinc/16/57/87/609165787.db2.gz	AHSDKRFKHCDONH-UHFFFAOYSA-N	0	0	319.325	-0.062	20	50		DBGDRN
C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C(N)=O	ZINC000824738520	609394555	/nfs/dbraw/zinc/39/45/55/609394555.db2.gz	PSHXPDYZEPCZFQ-ZETCQYMHSA-N	0	0	305.298	-0.324	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000826138351	609523333	/nfs/dbraw/zinc/52/33/33/609523333.db2.gz	QTHJLQFNGBBBND-UHFFFAOYSA-N	0	0	309.311	-0.266	20	50		DBGDRN
O=C(NNC(=O)C1=COCCO1)c1cccc(-c2nn[nH]n2)c1	ZINC000738136328	945233949	/nfs/dbraw/zinc/23/39/49/945233949.db2.gz	JIYFEXGRMFGHPK-UHFFFAOYSA-N	0	0	316.277	-0.484	20	50		DBGDRN
CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000820131275	945358263	/nfs/dbraw/zinc/35/82/63/945358263.db2.gz	BCUOAJPYHVNPBD-UHFFFAOYSA-N	0	0	319.300	-0.020	20	50		DBGDRN
CC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735474230	944664440	/nfs/dbraw/zinc/66/44/40/944664440.db2.gz	INNWTFABBCXXAF-ZETCQYMHSA-N	0	0	317.309	-0.848	20	50		DBGDRN
COc1ccc(C=NNC(=O)CN(C)C)cc1-c1nn[nH]n1	ZINC000737082744	944954062	/nfs/dbraw/zinc/95/40/62/944954062.db2.gz	YWDFFCZXRHJEMX-UHFFFAOYSA-N	0	0	303.326	-0.113	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737201798	944982729	/nfs/dbraw/zinc/98/27/29/944982729.db2.gz	IVKGTWOQFDTCBP-UHFFFAOYSA-N	0	0	312.293	-0.027	20	50		DBGDRN
CN1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000821621896	945750640	/nfs/dbraw/zinc/75/06/40/945750640.db2.gz	KOWQLQSEWXFCED-JTQLQIEISA-N	0	0	316.325	-0.277	20	50		DBGDRN
COCC(=O)NN[C@@H](C(=O)OC)c1cccc(-c2nn[nH]n2)c1	ZINC000821680398	945801375	/nfs/dbraw/zinc/80/13/75/945801375.db2.gz	ICNHZTQOYCIGEO-LLVKDONJSA-N	0	0	320.309	-0.652	20	50		DBGDRN
COCC(=O)NN[C@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1	ZINC000821680854	945802243	/nfs/dbraw/zinc/80/22/43/945802243.db2.gz	WKXFBOSUARZMAQ-NSHDSACASA-N	0	0	320.309	-0.652	20	50		DBGDRN
COC[C@](C)(O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821682057	945803405	/nfs/dbraw/zinc/80/34/05/945803405.db2.gz	YSKFVUOVPWYXGO-ZDUSSCGKSA-N	0	0	320.309	-0.975	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)N2CC(O)C2)cc(-c2nn[nH]n2)n1C	ZINC000822029210	945951178	/nfs/dbraw/zinc/95/11/78/945951178.db2.gz	WFMAWZGDZLQMOM-KMKOMSMNSA-N	0	0	313.321	-0.376	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)N2CC(O)C2)cc(-c2nn[nH]n2)n1C	ZINC000822029212	945952649	/nfs/dbraw/zinc/95/26/49/945952649.db2.gz	WFMAWZGDZLQMOM-XCVCLJGOSA-N	0	0	313.321	-0.376	20	50		DBGDRN
O=C(COc1ccc(-c2nn[nH]n2)cc1)NNc1cc(O)c[nH]1	ZINC000823036780	946286188	/nfs/dbraw/zinc/28/61/88/946286188.db2.gz	LMKLGVSAATZZQK-UHFFFAOYSA-N	0	0	315.293	-0.280	20	50		DBGDRN
O=C(NNC(=O)c1ccccc1O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823277243	946396720	/nfs/dbraw/zinc/39/67/20/946396720.db2.gz	HSQLLRDVJJCEEZ-UHFFFAOYSA-N	0	0	313.277	-0.025	20	50		DBGDRN
C[NH+](C)CCN(CC(=O)[O-])S(=O)(=O)CBr	ZINC000820539564	955473572	/nfs/dbraw/zinc/47/35/72/955473572.db2.gz	RACHIAMKBFXQGY-UHFFFAOYSA-N	0	0	303.178	-0.383	20	50		DBGDRN
C[C@@H](C[NH+]1CCCCC1)C(=O)NN=Cc1cn(CC(=O)[O-])nn1	ZINC001340610174	962111732	/nfs/dbraw/zinc/11/17/32/962111732.db2.gz	XWFZGDZIZFENCT-NSHDSACASA-N	0	0	322.369	-0.065	20	50		DBGDRN
Cc1cc(NNC(=O)C(=O)Nc2cccnc2C(=O)[O-])cc[nH+]1	ZINC001605213610	972959145	/nfs/dbraw/zinc/95/91/45/972959145.db2.gz	YFRWEKZAPSMQJZ-UHFFFAOYSA-N	0	0	315.289	-0.013	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)CCNC(=O)[O-])C[C@@H](C)O1	ZINC000736810172	978358555	/nfs/dbraw/zinc/35/85/55/978358555.db2.gz	OBWMMJJZYFKEJY-NXEZZACHSA-N	0	0	316.358	-0.709	20	50		DBGDRN
C[NH+](C)[C@@H](CNC(=O)NNC(=O)C(=O)[O-])c1ccc(F)cc1	ZINC001598170014	990695792	/nfs/dbraw/zinc/69/57/92/990695792.db2.gz	IYTDYABCOMAXKA-JTQLQIEISA-N	0	0	312.301	-0.157	20	50		DBGDRN
O=C(CN1CSCC1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826412036	607339427	/nfs/dbraw/zinc/33/94/27/607339427.db2.gz	YVZXKQAPNNJSEV-UHFFFAOYSA-N	0	0	319.350	-0.157	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCNC(=O)C1	ZINC000826479057	607729058	/nfs/dbraw/zinc/72/90/58/607729058.db2.gz	PPMISZUSDNCTQQ-SECBINFHSA-N	0	0	301.310	-0.164	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)O)cc(-c2nn[nH]n2)n1C	ZINC000826235136	608630588	/nfs/dbraw/zinc/63/05/88/608630588.db2.gz	CMSHXLSXYLZGSP-ORMNHXAVSA-N	0	0	315.337	-0.082	20	50		DBGDRN
O=C(NNC(=O)C1CC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444740	609184203	/nfs/dbraw/zinc/18/42/03/609184203.db2.gz	SAEQIEOSQWDOLL-SNVBAGLBSA-N	0	0	302.294	-0.543	20	50		DBGDRN
C[C@@H](C#N)CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824035313	609411414	/nfs/dbraw/zinc/41/14/14/609411414.db2.gz	WSGMFXGCYJVDFZ-QMMMGPOBSA-N	0	0	314.309	-0.030	20	50		DBGDRN
CC(C)NC(=O)C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1	ZINC000820133911	945359059	/nfs/dbraw/zinc/35/90/59/945359059.db2.gz	SUHKQHKASFVPMC-UHFFFAOYSA-N	0	0	307.339	-0.097	20	50		DBGDRN
CN1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736860397	944900933	/nfs/dbraw/zinc/90/09/33/944900933.db2.gz	OYCSJYIEFPTFLV-LLVKDONJSA-N	0	0	315.337	-0.278	20	50		DBGDRN
COC[C@@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821681554	945802498	/nfs/dbraw/zinc/80/24/98/945802498.db2.gz	NMNBVNBPZDLTEE-CYBMUJFWSA-N	0	0	320.309	-0.975	20	50		DBGDRN
COC[C@@](C)(O)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821682056	945805368	/nfs/dbraw/zinc/80/53/68/945805368.db2.gz	YSKFVUOVPWYXGO-CYBMUJFWSA-N	0	0	320.309	-0.975	20	50		DBGDRN
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(=O)N(C)C	ZINC000821995077	945914199	/nfs/dbraw/zinc/91/41/99/945914199.db2.gz	ZUYAKCCXZAPMMI-MRVPVSSYSA-N	0	0	318.341	-0.031	20	50		DBGDRN
C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)N(C)C	ZINC000821994718	945914276	/nfs/dbraw/zinc/91/42/76/945914276.db2.gz	GKCCHIPYRNAQSS-QMMMGPOBSA-N	0	0	303.326	-0.422	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)NCC1CC1	ZINC000822645674	946145006	/nfs/dbraw/zinc/14/50/06/946145006.db2.gz	JZWXAROFMQZWGE-UHFFFAOYSA-N	0	0	304.314	-0.441	20	50		DBGDRN
C[C@@H](C(=O)[O-])C(=O)NNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC001610100761	970667457	/nfs/dbraw/zinc/66/74/57/970667457.db2.gz	KYXSANYJHSXCKR-KXUCPTDWSA-N	0	0	301.343	-0.646	20	50		DBGDRN
C[C@H]1C[NH+](CCC(=O)NNC(=O)CCCC(=O)[O-])C[C@H](C)O1	ZINC001603461479	973302054	/nfs/dbraw/zinc/30/20/54/973302054.db2.gz	POBWBGXIJVQTCG-QWRGUYRKSA-N	0	0	315.370	-0.112	20	50		DBGDRN
O=C([O-])[C@@H]1C[C@H](O)CN(CC(=O)NNC(=O)c2ccccc2)C1	ZINC000401839377	973436895	/nfs/dbraw/zinc/43/68/95/973436895.db2.gz	SEVYHRVVNSFYOH-NEPJUHHUSA-N	0	0	321.333	-0.785	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](C)O1	ZINC000736808887	978357310	/nfs/dbraw/zinc/35/73/10/978357310.db2.gz	KGSBPGFCOULVRC-DBIOUOCHSA-N	0	0	313.354	-0.646	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](C)O1	ZINC000736808890	978357473	/nfs/dbraw/zinc/35/74/73/978357473.db2.gz	KGSBPGFCOULVRC-YTWAJWBKSA-N	0	0	313.354	-0.646	20	50		DBGDRN
C[NH+](C)[C@H](CNC(=O)NNC(=O)C(=O)[O-])c1ccc(F)cc1	ZINC001598170020	990695529	/nfs/dbraw/zinc/69/55/29/990695529.db2.gz	IYTDYABCOMAXKA-SNVBAGLBSA-N	0	0	312.301	-0.157	20	50		DBGDRN
C[NH+](C)C1(CNC(=O)NNC(=O)C(=O)[O-])Cc2ccccc2C1	ZINC001598182342	990745148	/nfs/dbraw/zinc/74/51/48/990745148.db2.gz	CHTSDIMUIBESFP-UHFFFAOYSA-N	0	0	320.349	-0.499	20	50		DBGDRN
NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826391845	607337833	/nfs/dbraw/zinc/33/78/33/607337833.db2.gz	DJYJASGSRSPYFM-JTQLQIEISA-N	0	0	316.325	-0.147	20	50		DBGDRN
CN1C[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1=O	ZINC000826017204	607351456	/nfs/dbraw/zinc/35/14/56/607351456.db2.gz	IITFVMIEZGLFBP-VIFPVBQESA-N	0	0	301.310	-0.212	20	50		DBGDRN
O=C(CNC(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826411790	607355659	/nfs/dbraw/zinc/35/56/59/607355659.db2.gz	NQJQNIMHFVGWOV-UHFFFAOYSA-N	0	0	301.310	-0.164	20	50		DBGDRN
CN1CCN(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826038381	607356230	/nfs/dbraw/zinc/35/62/30/607356230.db2.gz	MDIHGCCQKZNEHL-UHFFFAOYSA-N	0	0	316.369	-0.443	20	50		DBGDRN
CS(=O)(=O)CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826223061	607464711	/nfs/dbraw/zinc/46/47/11/607464711.db2.gz	ZVFQPGXEQXACGJ-UHFFFAOYSA-N	0	0	310.339	-0.256	20	50		DBGDRN
C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NNC(=O)NCCNC(=O)[O-]	ZINC000825873256	603802990	/nfs/dbraw/zinc/80/29/90/603802990.db2.gz	SRDNYHKKKFSBNU-RKDXNWHRSA-N	0	0	301.347	-0.543	20	50		DBGDRN
CC(C)(C)C(=O)NNC(=O)C[NH2+]C1(CC(=O)[O-])CCOCC1	ZINC000826135064	604793334	/nfs/dbraw/zinc/79/33/34/604793334.db2.gz	UTXSYQWMRBELSE-UHFFFAOYSA-N	0	0	315.370	-0.207	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC(=O)NC1	ZINC000826479535	607725428	/nfs/dbraw/zinc/72/54/28/607725428.db2.gz	ANSBXEPDZKLODR-VIFPVBQESA-N	0	0	301.310	-0.164	20	50		DBGDRN
CNC(=O)C1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826053753	607732848	/nfs/dbraw/zinc/73/28/48/607732848.db2.gz	YQHJFBMZBSUICD-UHFFFAOYSA-N	0	0	301.310	-0.164	20	50		DBGDRN
Cc1cccnc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826308338	607763630	/nfs/dbraw/zinc/76/36/30/607763630.db2.gz	VCOILODOACHZKH-UHFFFAOYSA-N	0	0	312.293	-0.027	20	50		DBGDRN
O=C(Cn1ccnc1-c1nn[nH]n1)NNC(=O)c1cccs1	ZINC000826424816	608147630	/nfs/dbraw/zinc/14/76/30/608147630.db2.gz	DYCLIFASDMEQLR-UHFFFAOYSA-N	0	0	318.322	-0.414	20	50		DBGDRN
Cn1cccc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826363673	609417608	/nfs/dbraw/zinc/41/76/08/609417608.db2.gz	XDEKIXMRTVCMTJ-UHFFFAOYSA-N	0	0	300.282	-0.392	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1cccc(-c2nn[nH]n2)c1	ZINC000826138208	609523596	/nfs/dbraw/zinc/52/35/96/609523596.db2.gz	KKALDUSTQOTLLZ-UHFFFAOYSA-N	0	0	303.282	-0.327	20	50		DBGDRN
NC(=O)[C@H](NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000737735355	945118632	/nfs/dbraw/zinc/11/86/32/945118632.db2.gz	CJLDSIOUGXATID-SNVBAGLBSA-N	0	0	301.310	-0.576	20	50		DBGDRN
O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1=COCC1	ZINC000738137709	945247296	/nfs/dbraw/zinc/24/72/96/945247296.db2.gz	YLHBECLNMIOQTC-UHFFFAOYSA-N	0	0	300.278	-0.068	20	50		DBGDRN
C=CCOCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000735437808	944651093	/nfs/dbraw/zinc/65/10/93/944651093.db2.gz	QNZUNUGQQSOUTE-UHFFFAOYSA-N	0	0	302.294	-0.170	20	50		DBGDRN
CCOCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736609721	944854417	/nfs/dbraw/zinc/85/44/17/944854417.db2.gz	RAFCDGNGVOFPIY-NSHDSACASA-N	0	0	319.325	-0.950	20	50		DBGDRN
CCOCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736609719	944854700	/nfs/dbraw/zinc/85/47/00/944854700.db2.gz	RAFCDGNGVOFPIY-LLVKDONJSA-N	0	0	319.325	-0.950	20	50		DBGDRN
CN(C)CC(=O)NNC(=O)CCc1ccc(-c2nn[nH]n2)cc1	ZINC000736762869	944885718	/nfs/dbraw/zinc/88/57/18/944885718.db2.gz	KWLWBHBRWUDJGX-UHFFFAOYSA-N	0	0	317.353	-0.492	20	50		DBGDRN
O=C(CN1CCCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000822997896	946260249	/nfs/dbraw/zinc/26/02/49/946260249.db2.gz	XDDZQISYDGBVHC-UHFFFAOYSA-N	0	0	315.337	-0.277	20	50		DBGDRN
O=C(Cc1ccon1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823115953	946320289	/nfs/dbraw/zinc/32/02/89/946320289.db2.gz	ZTOVXNXVZLMXIX-UHFFFAOYSA-N	0	0	313.277	-0.142	20	50		DBGDRN
O=C(Cc1cccnc1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823115876	946322439	/nfs/dbraw/zinc/32/24/39/946322439.db2.gz	WCDAXQJINODLJZ-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1COCCO1	ZINC000823273461	946381789	/nfs/dbraw/zinc/38/17/89/946381789.db2.gz	OGSOOQFJSVMHRC-LLVKDONJSA-N	0	0	320.284	-0.129	20	50		DBGDRN
Cn1cc(/C=C(/C#N)C(=O)NC2CC[NH+](CC(=O)[O-])CC2)cn1	ZINC001594537824	955591222	/nfs/dbraw/zinc/59/12/22/955591222.db2.gz	LYWZAZQCDFYVEC-SDQBBNPISA-N	0	0	317.349	-0.008	20	50		DBGDRN
CC(C)([NH2+]CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC001588795004	961375147	/nfs/dbraw/zinc/37/51/47/961375147.db2.gz	DJJJHTVYMJDNJQ-UHFFFAOYSA-N	0	0	304.306	-0.228	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)CCCC(=O)[O-])C[C@@H](C)O1	ZINC001603461471	973302097	/nfs/dbraw/zinc/30/20/97/973302097.db2.gz	POBWBGXIJVQTCG-GHMZBOCLSA-N	0	0	315.370	-0.112	20	50		DBGDRN
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)C(=O)[O-]	ZINC001594542448	986185230	/nfs/dbraw/zinc/18/52/30/986185230.db2.gz	NSEUAZJDBRSJEL-CMPLNLGQSA-N	0	0	320.349	-0.078	20	50		DBGDRN
CC(C)[NH+]1CCC(CCNC(=O)NNC(=O)C(=O)[O-])CC1	ZINC001591611288	992863950	/nfs/dbraw/zinc/86/39/50/992863950.db2.gz	MKBWCLIIYUIQHE-UHFFFAOYSA-N	0	0	300.359	-0.088	20	50		DBGDRN
COC(=O)CNC(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC001598864457	996701409	/nfs/dbraw/zinc/70/14/09/996701409.db2.gz	KQPGWROZNBIFJL-UHFFFAOYSA-N	0	0	314.342	-0.225	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000826446570	607352062	/nfs/dbraw/zinc/35/20/62/607352062.db2.gz	QMZPYZKPVNLXCZ-VIFPVBQESA-N	0	0	322.350	-0.256	20	50		DBGDRN
CNC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826051810	607353678	/nfs/dbraw/zinc/35/36/78/607353678.db2.gz	NMLOTMNBGGNFEV-UHFFFAOYSA-N	0	0	301.310	-0.164	20	50		DBGDRN
O=C(Cc1ccccn1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826423957	607727967	/nfs/dbraw/zinc/72/79/67/607727967.db2.gz	POLWILGSKJGXQB-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000826448241	607730613	/nfs/dbraw/zinc/73/06/13/607730613.db2.gz	NNTVGKCLZYIIEH-SECBINFHSA-N	0	0	322.350	-0.256	20	50		DBGDRN
C#CC[NH+]1CCC(C(=O)NNC(=O)CCCNC(=O)[O-])CC1	ZINC000833787543	605975893	/nfs/dbraw/zinc/97/58/93/605975893.db2.gz	TWANSJJCBYITHR-UHFFFAOYSA-N	0	0	310.354	-0.473	20	50		DBGDRN
O=C(CN1CCCC1=O)NN=Cc1ccccc1-c1nn[nH]n1	ZINC000826410199	607884507	/nfs/dbraw/zinc/88/45/07/607884507.db2.gz	GIBVZMPKJNKJNX-UHFFFAOYSA-N	0	0	313.321	-0.061	20	50		DBGDRN
CC(C)C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824183987	609183242	/nfs/dbraw/zinc/18/32/42/609183242.db2.gz	ALJZDSUCIPCMAV-JTQLQIEISA-N	0	0	304.310	-0.297	20	50		DBGDRN
O=C(CO)NNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1	ZINC000826414873	609285666	/nfs/dbraw/zinc/28/56/66/609285666.db2.gz	KROHCXYETMJJHB-UHFFFAOYSA-N	0	0	322.350	-0.760	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1F	ZINC000826138359	609523440	/nfs/dbraw/zinc/52/34/40/609523440.db2.gz	QZFVMCBMTRIKHK-UHFFFAOYSA-N	0	0	321.272	-0.188	20	50		DBGDRN
CCNC(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736575439	944846759	/nfs/dbraw/zinc/84/67/59/944846759.db2.gz	FOZQJYLCNBGULF-UHFFFAOYSA-N	0	0	304.314	-0.371	20	50		DBGDRN
CN1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736860398	944900685	/nfs/dbraw/zinc/90/06/85/944900685.db2.gz	OYCSJYIEFPTFLV-NSHDSACASA-N	0	0	315.337	-0.278	20	50		DBGDRN
COC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736972344	944922495	/nfs/dbraw/zinc/92/24/95/944922495.db2.gz	XMNMZEKVDFJRDO-MRVPVSSYSA-N	0	0	319.325	-0.154	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)nc2)[nH]n1	ZINC000822176112	945969201	/nfs/dbraw/zinc/96/92/01/945969201.db2.gz	GDQLERARBDJDAC-UHFFFAOYSA-N	0	0	313.281	-0.632	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]n1	ZINC000822175880	945969419	/nfs/dbraw/zinc/96/94/19/945969419.db2.gz	AZWWGOBIFZOSNG-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccnc1	ZINC000822645493	946142150	/nfs/dbraw/zinc/14/21/50/946142150.db2.gz	ARQBIGRVQAYFIN-UHFFFAOYSA-N	0	0	312.293	-0.325	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccc[nH]1	ZINC000822645895	946147434	/nfs/dbraw/zinc/14/74/34/946147434.db2.gz	VJBKBFABKFESHA-UHFFFAOYSA-N	0	0	300.282	-0.392	20	50		DBGDRN
O=C(COc1ccccc1-c1nn[nH]n1)NNc1cc(O)c[nH]1	ZINC000823050323	946296011	/nfs/dbraw/zinc/29/60/11/946296011.db2.gz	VCVHTGBRSNCIQO-UHFFFAOYSA-N	0	0	315.293	-0.280	20	50		DBGDRN
O=C(CSc1cc(-c2nn[nH]n2)ccn1)NNC(=O)C1CC1	ZINC000823061011	946301641	/nfs/dbraw/zinc/30/16/41/946301641.db2.gz	RSZXYEKVZSCJSK-UHFFFAOYSA-N	0	0	319.350	-0.089	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)C(=O)NC1CC1	ZINC000823273814	946391458	/nfs/dbraw/zinc/39/14/58/946391458.db2.gz	ZJWDAWJTLZRZEO-UHFFFAOYSA-N	0	0	305.323	-0.343	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)NC2CC2)c1-c1nn[nH]n1	ZINC000826348347	948071354	/nfs/dbraw/zinc/07/13/54/948071354.db2.gz	IKTBCJUIQCAMKT-UHFFFAOYSA-N	0	0	306.286	-0.802	20	50		DBGDRN
Cc1nnc(NNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)n1C	ZINC001594493187	959724102	/nfs/dbraw/zinc/72/41/02/959724102.db2.gz	SSSHXXPHOJHYOU-UHFFFAOYSA-N	0	0	311.346	-0.701	20	50		DBGDRN
Cc1c[nH+]ccc1NNC(=O)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001605375278	973327290	/nfs/dbraw/zinc/32/72/90/973327290.db2.gz	IYUSITKITWHBAX-UHFFFAOYSA-N	0	0	315.289	-0.013	20	50		DBGDRN
C[C@H](NC(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000739180955	978620011	/nfs/dbraw/zinc/62/00/11/978620011.db2.gz	HHJAMWJZUZQHMM-GUBZILKMSA-N	0	0	316.358	-0.711	20	50		DBGDRN
C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])[N@H+](C)Cc1ccccc1	ZINC001592676091	979094092	/nfs/dbraw/zinc/09/40/92/979094092.db2.gz	KPEHAVASNONPRY-JTQLQIEISA-N	0	0	308.338	-0.078	20	50		DBGDRN
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NNC(=O)C(=O)[O-]	ZINC001594542451	986185076	/nfs/dbraw/zinc/18/50/76/986185076.db2.gz	NSEUAZJDBRSJEL-ZYHUDNBSSA-N	0	0	320.349	-0.078	20	50		DBGDRN
CC(C)C(=O)NNC(=O)CN1CC[N@H+](CCC(=O)[O-])C[C@H]1C	ZINC001590939532	990975945	/nfs/dbraw/zinc/97/59/45/990975945.db2.gz	YQPPIDHNARGKJV-LLVKDONJSA-N	0	0	314.386	-0.729	20	50		DBGDRN
COC(=O)CCC[NH+]1CCC(=NNC(=O)NCC(=O)[O-])CC1	ZINC001598852183	996613489	/nfs/dbraw/zinc/61/34/89/996613489.db2.gz	MHYGOJKULOJMHL-UHFFFAOYSA-N	0	0	314.342	-0.225	20	50		DBGDRN
CN1CCN(CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826038667	607337168	/nfs/dbraw/zinc/33/71/68/607337168.db2.gz	UBYJOSXBIDKAOZ-UHFFFAOYSA-N	0	0	316.369	-0.443	20	50		DBGDRN
O=C(CN1CCCNC1=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826410469	607345871	/nfs/dbraw/zinc/34/58/71/607345871.db2.gz	OJHSEXQNJFFMJN-UHFFFAOYSA-N	0	0	316.325	-0.275	20	50		DBGDRN
CN1N=C(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1=O	ZINC000826050840	607348976	/nfs/dbraw/zinc/34/89/76/607348976.db2.gz	GAADUIKMDPRRFQ-UHFFFAOYSA-N	0	0	314.309	-0.082	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000826446569	607352199	/nfs/dbraw/zinc/35/21/99/607352199.db2.gz	QMZPYZKPVNLXCZ-SECBINFHSA-N	0	0	322.350	-0.256	20	50		DBGDRN
Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)CN(C)C	ZINC000826249685	607462309	/nfs/dbraw/zinc/46/23/09/607462309.db2.gz	ONWYLBHYAYAMDJ-UHFFFAOYSA-N	0	0	303.326	-0.502	20	50		DBGDRN
C[C@@H](C[N@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000827442242	601010697	/nfs/dbraw/zinc/01/06/97/601010697.db2.gz	HEDLHXCVHNXQBR-JTQLQIEISA-N	0	0	318.333	-0.028	20	50		DBGDRN
CN1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000826018456	607729209	/nfs/dbraw/zinc/72/92/09/607729209.db2.gz	ZOCBDCGMLFARMT-VIFPVBQESA-N	0	0	301.310	-0.212	20	50		DBGDRN
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CCOC1	ZINC000826444949	607758058	/nfs/dbraw/zinc/75/80/58/607758058.db2.gz	AFDYSSGVAFVCGZ-JTQLQIEISA-N	0	0	317.309	-0.400	20	50		DBGDRN
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826445076	607889872	/nfs/dbraw/zinc/88/98/72/607889872.db2.gz	GDCNPLWIGWSGCH-SNVBAGLBSA-N	0	0	302.294	-0.193	20	50		DBGDRN
C#CCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823850024	607967088	/nfs/dbraw/zinc/96/70/88/607967088.db2.gz	HWPAEYOSZFYZAK-UHFFFAOYSA-N	0	0	301.335	-0.391	20	50		DBGDRN
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826445075	608115065	/nfs/dbraw/zinc/11/50/65/608115065.db2.gz	GDCNPLWIGWSGCH-JTQLQIEISA-N	0	0	302.294	-0.193	20	50		DBGDRN
C[C@H](C#N)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824034974	609411405	/nfs/dbraw/zinc/41/14/05/609411405.db2.gz	RBJDVPIDHFJKRP-MRVPVSSYSA-N	0	0	314.309	-0.030	20	50		DBGDRN
COC(=O)CNC(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826138432	609523748	/nfs/dbraw/zinc/52/37/48/609523748.db2.gz	UUPXGGXGWXVGAT-UHFFFAOYSA-N	0	0	303.282	-0.327	20	50		DBGDRN
O=C(CNc1ccc(-c2nn[nH]n2)cc1)NNC(=O)NC1CC1	ZINC000737893657	945146774	/nfs/dbraw/zinc/14/67/74/945146774.db2.gz	DADIOKSUMMKPEM-UHFFFAOYSA-N	0	0	316.325	-0.229	20	50		DBGDRN
O=C(Cn1cccn1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737989303	945172800	/nfs/dbraw/zinc/17/28/00/945172800.db2.gz	XGFCNBAREWBBRQ-UHFFFAOYSA-N	0	0	312.293	-0.476	20	50		DBGDRN
CN(CC#N)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821592727	945729196	/nfs/dbraw/zinc/72/91/96/945729196.db2.gz	RSQOAWVUDZVJGR-UHFFFAOYSA-N	0	0	314.309	-0.917	20	50		DBGDRN
COC[C@](C)(O)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821681555	945800317	/nfs/dbraw/zinc/80/03/17/945800317.db2.gz	NMNBVNBPZDLTEE-ZDUSSCGKSA-N	0	0	320.309	-0.975	20	50		DBGDRN
C[S@](=O)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000821941414	945906163	/nfs/dbraw/zinc/90/61/63/945906163.db2.gz	GJBPOIYZBXTMOJ-NRFANRHFSA-N	0	0	309.355	-0.129	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)[nH]n1	ZINC000822176666	945972496	/nfs/dbraw/zinc/97/24/96/945972496.db2.gz	OFFXANZPNDGUPL-UHFFFAOYSA-N	0	0	315.297	-0.688	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)cn1	ZINC000822669652	946149535	/nfs/dbraw/zinc/14/95/35/946149535.db2.gz	LEAQHBLSAPJBST-UHFFFAOYSA-N	0	0	315.297	-0.987	20	50		DBGDRN
O=C(CN1CCCC1=O)NN=Cc1ccc(-c2nn[nH]n2)o1	ZINC000822996832	946256683	/nfs/dbraw/zinc/25/66/83/946256683.db2.gz	JWJAMTCOHFQKAM-UHFFFAOYSA-N	0	0	303.282	-0.468	20	50		DBGDRN
O=C(CC(F)(F)F)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826403796	948229043	/nfs/dbraw/zinc/22/90/43/948229043.db2.gz	CRGPVPIWFMVNSG-UHFFFAOYSA-N	0	0	303.204	-0.092	20	50		DBGDRN
Cn1cc(/C=C(/C#N)C(=O)N(CC[NH+](C)C)CC(=O)[O-])cn1	ZINC001593697744	954087094	/nfs/dbraw/zinc/08/70/94/954087094.db2.gz	YWDXJGPUQVEZTJ-SDQBBNPISA-N	0	0	305.338	-0.198	20	50		DBGDRN
C[C@H](C(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC001610100760	970666866	/nfs/dbraw/zinc/66/68/66/970666866.db2.gz	KYXSANYJHSXCKR-BBBLOLIVSA-N	0	0	301.343	-0.646	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@@H](C)O1	ZINC000736808888	978357669	/nfs/dbraw/zinc/35/76/69/978357669.db2.gz	KGSBPGFCOULVRC-GWOFURMSSA-N	0	0	313.354	-0.646	20	50		DBGDRN
C[C@H]1[C@H](C[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])[C@H]1Cl	ZINC001594188713	998732729	/nfs/dbraw/zinc/73/27/29/998732729.db2.gz	VVZYYWYSSDBTHN-BESMBUEOSA-N	0	0	315.757	-0.061	20	50		DBGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001594188715	998732777	/nfs/dbraw/zinc/73/27/77/998732777.db2.gz	VVZYYWYSSDBTHN-UBVHSMIISA-N	0	0	315.757	-0.061	20	50		DBGDRN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001594188714	998732834	/nfs/dbraw/zinc/73/28/34/998732834.db2.gz	VVZYYWYSSDBTHN-JIYZTFHLSA-N	0	0	315.757	-0.061	20	50		DBGDRN
NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826392197	607356659	/nfs/dbraw/zinc/35/66/59/607356659.db2.gz	QCLBKFGGPTZDHT-JTQLQIEISA-N	0	0	316.325	-0.147	20	50		DBGDRN
C[C@H](C[N@H+](C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000827442755	601010747	/nfs/dbraw/zinc/01/07/47/601010747.db2.gz	QZXHDPLATGOPPZ-SNVBAGLBSA-N	0	0	318.333	-0.028	20	50		DBGDRN
COC[C@@](C)(CC(=O)[O-])[NH2+]CC(=O)NNC(=O)C(C)(C)C	ZINC000831572518	601490019	/nfs/dbraw/zinc/49/00/19/601490019.db2.gz	ASHJFJMPQMYKOF-CYBMUJFWSA-N	0	0	303.359	-0.351	20	50		DBGDRN
CN1N=C(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCC1=O	ZINC000826052254	607726026	/nfs/dbraw/zinc/72/60/26/607726026.db2.gz	RFJCVLLSOQWZIA-UHFFFAOYSA-N	0	0	314.309	-0.082	20	50		DBGDRN
NC(=O)CSCC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826391596	607726449	/nfs/dbraw/zinc/72/64/49/607726449.db2.gz	SEHJZPFHJWSLAM-UHFFFAOYSA-N	0	0	307.339	-0.472	20	50		DBGDRN
C[C@@H](CS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824449006	607727522	/nfs/dbraw/zinc/72/75/22/607727522.db2.gz	MBNYZYBQAYRZBL-QMMMGPOBSA-N	0	0	324.366	-0.010	20	50		DBGDRN
O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCOC1	ZINC000826444950	607757980	/nfs/dbraw/zinc/75/79/80/607757980.db2.gz	AFDYSSGVAFVCGZ-SNVBAGLBSA-N	0	0	317.309	-0.400	20	50		DBGDRN
O=C(CNc1ccc(-c2nn[nH]n2)cn1)NN=c1nccc[nH]1	ZINC000826414439	608218028	/nfs/dbraw/zinc/21/80/28/608218028.db2.gz	VZWZMPJXBUEWGI-UHFFFAOYSA-N	0	0	312.297	-0.393	20	50		DBGDRN
Cn1[nH]cnc1=NC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826367074	608339562	/nfs/dbraw/zinc/33/95/62/608339562.db2.gz	KWSBQTAHNKXSGY-UHFFFAOYSA-N	0	0	300.286	-0.434	20	50		DBGDRN
NC(=O)NC1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826391920	608471733	/nfs/dbraw/zinc/47/17/33/608471733.db2.gz	GZSPFXSNNHFAPE-UHFFFAOYSA-N	0	0	302.298	-0.489	20	50		DBGDRN
CCNC(=O)N(C)NC(=O)COc1cccc(-c2nn[nH]n2)c1	ZINC000825470619	609165670	/nfs/dbraw/zinc/16/56/70/609165670.db2.gz	FKGRGZNLBCPXSL-UHFFFAOYSA-N	0	0	319.325	-0.062	20	50		DBGDRN
CCNC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825476390	609213128	/nfs/dbraw/zinc/21/31/28/609213128.db2.gz	ILKFULQBHVSIKF-VIFPVBQESA-N	0	0	305.298	-0.750	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1	ZINC000826359101	609463439	/nfs/dbraw/zinc/46/34/39/609463439.db2.gz	VUNCTZOTLGRCMD-UHFFFAOYSA-N	0	0	301.270	-0.997	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)nc2)cn1	ZINC000737602562	945100279	/nfs/dbraw/zinc/10/02/79/945100279.db2.gz	JSJHECFIEOWNOH-UHFFFAOYSA-N	0	0	313.281	-0.930	20	50		DBGDRN
O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000738044790	945176723	/nfs/dbraw/zinc/17/67/23/945176723.db2.gz	LPMYWDSVOMYDJG-UHFFFAOYSA-N	0	0	302.298	-0.384	20	50		DBGDRN
C=CCNC(=S)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000735432245	944649639	/nfs/dbraw/zinc/64/96/39/944649639.db2.gz	ONYZZNBQRWAMQI-UHFFFAOYSA-N	0	0	304.339	-0.443	20	50		DBGDRN
CC(=O)CCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735457934	944661651	/nfs/dbraw/zinc/66/16/51/944661651.db2.gz	HSMSIOOAFNXDKE-UHFFFAOYSA-N	0	0	302.294	-0.003	20	50		DBGDRN
CNC(=O)NNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1	ZINC000821633966	945762945	/nfs/dbraw/zinc/76/29/45/945762945.db2.gz	MFUSKPAFNGERCK-UHFFFAOYSA-N	0	0	319.325	-0.016	20	50		DBGDRN
COCC(=O)NN[C@@H](C(=O)OC)c1ccc(-c2nn[nH]n2)cc1	ZINC000821680853	945800566	/nfs/dbraw/zinc/80/05/66/945800566.db2.gz	WKXFBOSUARZMAQ-LLVKDONJSA-N	0	0	320.309	-0.652	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1	ZINC000821903485	945900215	/nfs/dbraw/zinc/90/02/15/945900215.db2.gz	HAWRVQKTSTXMTR-UHFFFAOYSA-N	0	0	301.270	-0.250	20	50		DBGDRN
O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)NC1CC1	ZINC000823103846	946309892	/nfs/dbraw/zinc/30/98/92/946309892.db2.gz	MNONEXWFGGQLAE-UHFFFAOYSA-N	0	0	301.310	-0.098	20	50		DBGDRN
O=C(Cn1ccnc1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823123262	946324529	/nfs/dbraw/zinc/32/45/29/946324529.db2.gz	VFSVHCBBBBIXFT-UHFFFAOYSA-N	0	0	312.293	-0.476	20	50		DBGDRN
O=C(NN=Cc1cc(-c2nn[nH]n2)cs1)[C@@H]1COCCO1	ZINC000823273325	946377566	/nfs/dbraw/zinc/37/75/66/946377566.db2.gz	JTCUHXUZZWXXBU-VIFPVBQESA-N	0	0	308.323	-0.206	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1COCCO1	ZINC000823273462	946381662	/nfs/dbraw/zinc/38/16/62/946381662.db2.gz	OGSOOQFJSVMHRC-NSHDSACASA-N	0	0	320.284	-0.129	20	50		DBGDRN
CC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)COC1	ZINC000824784689	946930815	/nfs/dbraw/zinc/93/08/15/946930815.db2.gz	YYMINXHONMLLDD-UHFFFAOYSA-N	0	0	302.294	-0.336	20	50		DBGDRN
CCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1	ZINC000825332989	947157229	/nfs/dbraw/zinc/15/72/29/947157229.db2.gz	ORVGPYNHGCCKKQ-UHFFFAOYSA-N	0	0	308.302	-0.554	20	50		DBGDRN
Cc1csc(CC(=O)NNC(=O)C[NH2+]C(C)(C)C(=O)[O-])n1	ZINC001605381588	973344911	/nfs/dbraw/zinc/34/49/11/973344911.db2.gz	ZRUBOSVDNOPSNI-UHFFFAOYSA-N	0	0	314.367	-0.406	20	50		DBGDRN
CC(C)NC(=O)C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1	ZINC000736477106	978337744	/nfs/dbraw/zinc/33/77/44/978337744.db2.gz	FFSAXAWVGPRNEJ-UHFFFAOYSA-N	0	0	312.370	-0.056	20	50		DBGDRN
C[C@H](NC(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000739180948	978620109	/nfs/dbraw/zinc/62/01/09/978620109.db2.gz	HHJAMWJZUZQHMM-BBBLOLIVSA-N	0	0	316.358	-0.711	20	50		DBGDRN
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)C(=O)[O-]	ZINC001594542450	986184921	/nfs/dbraw/zinc/18/49/21/986184921.db2.gz	NSEUAZJDBRSJEL-PWSUYJOCSA-N	0	0	320.349	-0.078	20	50		DBGDRN
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NNC(=O)C(=O)[O-]	ZINC001594542449	986185287	/nfs/dbraw/zinc/18/52/87/986185287.db2.gz	NSEUAZJDBRSJEL-JQWIXIFHSA-N	0	0	320.349	-0.078	20	50		DBGDRN
COC(=O)CNC(=O)NN=C1CC[NH+](CCC(=O)[O-])CC1	ZINC001598865642	996705288	/nfs/dbraw/zinc/70/52/88/996705288.db2.gz	ZXCSYQBFUKZHJK-UHFFFAOYSA-N	0	0	300.315	-0.615	20	50		DBGDRN
NC(=O)CSCC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826391382	607349387	/nfs/dbraw/zinc/34/93/87/607349387.db2.gz	IXMXJCYNVHVAPP-UHFFFAOYSA-N	0	0	307.339	-0.472	20	50		DBGDRN
NC(=O)C1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCC1	ZINC000826389440	607354426	/nfs/dbraw/zinc/35/44/26/607354426.db2.gz	YNEDPNBKFJDORB-UHFFFAOYSA-N	0	0	301.310	-0.035	20	50		DBGDRN
Cn1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826363319	607685762	/nfs/dbraw/zinc/68/57/62/607685762.db2.gz	HFHDEZCJOKSRRN-UHFFFAOYSA-N	0	0	300.282	-0.392	20	50		DBGDRN
O=C(CN1CSCC1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826411968	607712354	/nfs/dbraw/zinc/71/23/54/607712354.db2.gz	VZZWXKRDNRCTFH-UHFFFAOYSA-N	0	0	319.350	-0.157	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826322477	607730658	/nfs/dbraw/zinc/73/06/58/607730658.db2.gz	OAJUQUHZPZURQK-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](CC(=O)NNC(=O)C3CC3)C[C@@H]21	ZINC000834191027	605460385	/nfs/dbraw/zinc/46/03/85/605460385.db2.gz	YMOPGLFYMBCFAN-SDDRHHMPSA-N	0	0	324.381	-0.088	20	50		DBGDRN
O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826403928	608119359	/nfs/dbraw/zinc/11/93/59/608119359.db2.gz	IWQDFBYXXNLTNW-UHFFFAOYSA-N	0	0	303.204	-0.092	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)NC[C@H](C)O)cc(-c2nn[nH]n2)n1C	ZINC000826235137	608630196	/nfs/dbraw/zinc/63/01/96/608630196.db2.gz	CMSHXLSXYLZGSP-TYXSZMRMSA-N	0	0	315.337	-0.082	20	50		DBGDRN
CC(C)C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000824183988	609182970	/nfs/dbraw/zinc/18/29/70/609182970.db2.gz	ALJZDSUCIPCMAV-SNVBAGLBSA-N	0	0	304.310	-0.297	20	50		DBGDRN
CCNC(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825476389	609213197	/nfs/dbraw/zinc/21/31/97/609213197.db2.gz	ILKFULQBHVSIKF-SECBINFHSA-N	0	0	305.298	-0.750	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737454113	945072585	/nfs/dbraw/zinc/07/25/85/945072585.db2.gz	YVSOACJZULARSC-UHFFFAOYSA-N	0	0	313.281	-0.632	20	50		DBGDRN
O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000737954938	945167133	/nfs/dbraw/zinc/16/71/33/945167133.db2.gz	SRHDJYHEHPJVFG-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
C=CCNC(=S)NNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000819751442	945281846	/nfs/dbraw/zinc/28/18/46/945281846.db2.gz	USNMEMQZYVPGTA-UHFFFAOYSA-N	0	0	306.355	-0.500	20	50		DBGDRN
COC[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736967017	944921648	/nfs/dbraw/zinc/92/16/48/944921648.db2.gz	FEDBLYFRAOZJHA-MRVPVSSYSA-N	0	0	304.310	-0.090	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2ccc(-c3nn[nH]n3)nc2)n1	ZINC000737158290	944972782	/nfs/dbraw/zinc/97/27/82/944972782.db2.gz	DSTHHYJRXBTZKC-UHFFFAOYSA-N	0	0	313.281	-0.183	20	50		DBGDRN
C[S@@](=O)CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000821941418	945905856	/nfs/dbraw/zinc/90/58/56/945905856.db2.gz	GJBPOIYZBXTMOJ-OAQYLSRUSA-N	0	0	309.355	-0.129	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)N[C@@H](C)CO)cc(-c2nn[nH]n2)n1C	ZINC000822029069	945952144	/nfs/dbraw/zinc/95/21/44/945952144.db2.gz	VABXIMATTPOSIW-TYXSZMRMSA-N	0	0	315.337	-0.082	20	50		DBGDRN
CC[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825680144	947289062	/nfs/dbraw/zinc/28/90/62/947289062.db2.gz	VCQKMSRDSHKPMG-SNVBAGLBSA-N	0	0	319.325	-0.418	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CCCC(=O)[O-])C[C@H](C)O1	ZINC001603461476	973302411	/nfs/dbraw/zinc/30/24/11/973302411.db2.gz	POBWBGXIJVQTCG-PHIMTYICSA-N	0	0	315.370	-0.112	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CN(C)C(=O)[O-])C[C@H](C)O1	ZINC000736813174	978357971	/nfs/dbraw/zinc/35/79/71/978357971.db2.gz	ZRMBBGLTCDCBBU-AOOOYVTPSA-N	0	0	316.358	-0.757	20	50		DBGDRN
C[C@H](C[NH+]1CCOCC1)C(=O)NN=Cc1cccn1CC(=O)[O-]	ZINC001592622813	978591596	/nfs/dbraw/zinc/59/15/96/978591596.db2.gz	BLRXAPZGTKOTOI-GFCCVEGCSA-N	0	0	322.365	-0.009	20	50		DBGDRN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-]	ZINC001594188716	998732709	/nfs/dbraw/zinc/73/27/09/998732709.db2.gz	VVZYYWYSSDBTHN-ZCLKDUABSA-N	0	0	315.757	-0.061	20	50		DBGDRN
CCS(=O)(=O)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825659477	607345597	/nfs/dbraw/zinc/34/55/97/607345597.db2.gz	UUTSVWGMDGLMQE-UHFFFAOYSA-N	0	0	310.339	-0.256	20	50		DBGDRN
N#Cc1ncn(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1	ZINC000826387992	607350639	/nfs/dbraw/zinc/35/06/39/607350639.db2.gz	CYELVFAXXGTCMX-UHFFFAOYSA-N	0	0	310.281	-0.527	20	50		DBGDRN
O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1	ZINC000826424152	607746566	/nfs/dbraw/zinc/74/65/66/607746566.db2.gz	YAJDKJUMNXOSRX-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NN=Cc1ccccc1-c1nn[nH]n1)[C@@H]1COCCO1	ZINC000826444563	607889837	/nfs/dbraw/zinc/88/98/37/607889837.db2.gz	LLJZVRAVJYILHJ-NSHDSACASA-N	0	0	302.294	-0.268	20	50		DBGDRN
C#CCOCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823851071	607893639	/nfs/dbraw/zinc/89/36/39/607893639.db2.gz	YPMBFGUOLSUYRM-UHFFFAOYSA-N	0	0	314.305	-0.332	20	50		DBGDRN
Cc1c(C=C(C#N)C(=O)NC[C@@H](C)O)cc(-c2nn[nH]n2)n1C	ZINC000826235135	608630459	/nfs/dbraw/zinc/63/04/59/608630459.db2.gz	CMSHXLSXYLZGSP-HCNJTKSQSA-N	0	0	315.337	-0.082	20	50		DBGDRN
COC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826164164	608759798	/nfs/dbraw/zinc/75/97/98/608759798.db2.gz	FKSCSYDMJBWZRS-MRVPVSSYSA-N	0	0	319.325	-0.154	20	50		DBGDRN
CN(C)C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825846127	609215401	/nfs/dbraw/zinc/21/54/01/609215401.db2.gz	SBFODGIONZAVRW-SECBINFHSA-N	0	0	305.298	-0.798	20	50		DBGDRN
C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN(C)C(N)=O	ZINC000824738518	609394702	/nfs/dbraw/zinc/39/47/02/609394702.db2.gz	PSHXPDYZEPCZFQ-SSDOTTSWSA-N	0	0	305.298	-0.324	20	50		DBGDRN
CC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)COC1	ZINC000824783431	609458660	/nfs/dbraw/zinc/45/86/60/609458660.db2.gz	GMXVNQCRFYRKKC-UHFFFAOYSA-N	0	0	302.294	-0.336	20	50		DBGDRN
N#CCSCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737697093	945112878	/nfs/dbraw/zinc/11/28/78/945112878.db2.gz	CBZAYIDMIIDNKG-UHFFFAOYSA-N	0	0	317.334	-0.116	20	50		DBGDRN
CC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000735474229	944662905	/nfs/dbraw/zinc/66/29/05/944662905.db2.gz	INNWTFABBCXXAF-SSDOTTSWSA-N	0	0	317.309	-0.848	20	50		DBGDRN
CN(C)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cc1	ZINC000736752495	944884472	/nfs/dbraw/zinc/88/44/72/944884472.db2.gz	YGYPADJIYOYIQD-UHFFFAOYSA-N	0	0	304.314	-0.419	20	50		DBGDRN
CN(C)CC(=O)NNC(=O)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000736761442	944886462	/nfs/dbraw/zinc/88/64/62/944886462.db2.gz	FUDBTPWWSBWQJU-UHFFFAOYSA-N	0	0	303.326	-0.882	20	50		DBGDRN
CCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000821073043	945630290	/nfs/dbraw/zinc/63/02/90/945630290.db2.gz	XVWQBMZNGPCVSM-UHFFFAOYSA-N	0	0	306.330	-0.051	20	50		DBGDRN
CN(C)c1nccc(=NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]1	ZINC000821591012	945729373	/nfs/dbraw/zinc/72/93/73/945729373.db2.gz	QHEIXAVRTSWDDL-UHFFFAOYSA-N	0	0	314.313	-0.192	20	50		DBGDRN
CN1C[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O	ZINC000821621897	945750214	/nfs/dbraw/zinc/75/02/14/945750214.db2.gz	KOWQLQSEWXFCED-SNVBAGLBSA-N	0	0	316.325	-0.277	20	50		DBGDRN
N#CC(C#N)=CNNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000822796104	946183454	/nfs/dbraw/zinc/18/34/54/946183454.db2.gz	MBQSTRBHORINFE-UHFFFAOYSA-N	0	0	310.277	-0.203	20	50		DBGDRN
O=C(CSc1ccc(-c2nn[nH]n2)cn1)NNC(=O)C1CC1	ZINC000823066024	946301059	/nfs/dbraw/zinc/30/10/59/946301059.db2.gz	JAXHUGJYGGFVDZ-UHFFFAOYSA-N	0	0	319.350	-0.089	20	50		DBGDRN
O=C(Cc1ccncc1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000823115578	946317635	/nfs/dbraw/zinc/31/76/35/946317635.db2.gz	QYAVGHCDNYYEKH-UHFFFAOYSA-N	0	0	324.304	-0.340	20	50		DBGDRN
O=C(NN=Cc1ccc(-c2nn[nH]n2)o1)C(=O)N1CCCC1	ZINC000823273488	946382124	/nfs/dbraw/zinc/38/21/24/946382124.db2.gz	PDLYHVJVZCYHEJ-UHFFFAOYSA-N	0	0	303.282	-0.468	20	50		DBGDRN
CCCCNC(=O)NNC(=O)Cc1noc(C)c1-c1nn[nH]n1	ZINC000825291092	947145514	/nfs/dbraw/zinc/14/55/14/947145514.db2.gz	MDNNLMAPLIGKQU-UHFFFAOYSA-N	0	0	322.329	-0.164	20	50		DBGDRN
Cc1cccnc1C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826307928	947886108	/nfs/dbraw/zinc/88/61/08/947886108.db2.gz	BUOFCCYTVLEYCY-UHFFFAOYSA-N	0	0	312.293	-0.027	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)c2ccoc2)c1-c1nn[nH]n1	ZINC000826348556	948076353	/nfs/dbraw/zinc/07/63/53/948076353.db2.gz	RZVDSURVFQOJOI-UHFFFAOYSA-N	0	0	317.265	-0.240	20	50		DBGDRN
Cc1cc(NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc[nH+]1	ZINC001594325395	958164972	/nfs/dbraw/zinc/16/49/72/958164972.db2.gz	VOONNAGLQZBCJK-LLVKDONJSA-N	0	0	306.322	-0.422	20	50		DBGDRN
O=C([O-])C1(C(=O)NNc2cc[nH+]cc2)CCS(=O)(=O)CC1	ZINC001574632870	962303006	/nfs/dbraw/zinc/30/30/06/962303006.db2.gz	CSCHIHMDRXOXEB-UHFFFAOYSA-N	0	0	313.335	-0.774	20	50		DBGDRN
COCCN(CCC(=O)[O-])CC(=O)NNC(=O)c1ccccc1	ZINC001574156974	962685327	/nfs/dbraw/zinc/68/53/27/962685327.db2.gz	ZUVRCWPXFXPUMP-UHFFFAOYSA-N	0	0	323.349	-0.129	20	50		DBGDRN
CN1CC[N@H+](C)CC(C(=O)NN=c2[nH]cccc2C(=O)[O-])C1	ZINC001604221754	972720774	/nfs/dbraw/zinc/72/07/74/972720774.db2.gz	UTHPTMPANPISBG-UHFFFAOYSA-N	0	0	307.354	-0.284	20	50		DBGDRN
CCC(=O)NNC(=O)[C@@H](C)[N@@H+]1CC[C@](COC)(C(=O)[O-])C1	ZINC001603486270	973409565	/nfs/dbraw/zinc/40/95/65/973409565.db2.gz	ITYBGZRDRAQELC-RNCFNFMXSA-N	0	0	301.343	-0.645	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@H](C)O1	ZINC000736808889	978357543	/nfs/dbraw/zinc/35/75/43/978357543.db2.gz	KGSBPGFCOULVRC-LMLFDSFASA-N	0	0	313.354	-0.646	20	50		DBGDRN
C[N@H+](CCNC(=O)NNC(=O)C(=O)[O-])Cc1ccc(F)cc1	ZINC001598491412	992297401	/nfs/dbraw/zinc/29/74/01/992297401.db2.gz	VJCCKIMINFMKEY-UHFFFAOYSA-N	0	0	312.301	-0.328	20	50		DBGDRN
C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NNC(=O)C(=O)[O-])C1	ZINC001594380775	999439891	/nfs/dbraw/zinc/43/98/91/999439891.db2.gz	VWPSSQLANYYXPN-VIFPVBQESA-N	0	0	300.359	-0.088	20	50		DBGDRN
C[C@@H](C[N@H+](C)CC(=O)NNC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000827442754	601010851	/nfs/dbraw/zinc/01/08/51/601010851.db2.gz	QZXHDPLATGOPPZ-JTQLQIEISA-N	0	0	318.333	-0.028	20	50		DBGDRN
COC[C@](C)(CC(=O)[O-])[NH2+]CC(=O)NNC(=O)C(C)(C)C	ZINC000831572519	601489994	/nfs/dbraw/zinc/48/99/94/601489994.db2.gz	ASHJFJMPQMYKOF-ZDUSSCGKSA-N	0	0	303.359	-0.351	20	50		DBGDRN
C[C@@H](C(=O)NNC(=O)NCCNC(=O)[O-])[NH+]1CCCCCC1	ZINC000823701558	603802339	/nfs/dbraw/zinc/80/23/39/603802339.db2.gz	FJOZFYKSWQAEHM-JTQLQIEISA-N	0	0	315.374	-0.151	20	50		DBGDRN
C[NH+](C)Cc1cccc(C(=O)NNC(=O)NCCNC(=O)[O-])c1	ZINC000828046174	603802936	/nfs/dbraw/zinc/80/29/36/603802936.db2.gz	HZEGWQKCSNEDRB-UHFFFAOYSA-N	0	0	323.353	-0.040	20	50		DBGDRN
CCS(=O)(=O)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825659643	607720364	/nfs/dbraw/zinc/72/03/64/607720364.db2.gz	XRYURIDSDKMQEC-UHFFFAOYSA-N	0	0	310.339	-0.256	20	50		DBGDRN
C[C@H]1C[N@H+](CCC(=O)[O-])CCN1CC(=O)NNC(=O)C1CC1	ZINC000833629556	605198335	/nfs/dbraw/zinc/19/83/35/605198335.db2.gz	WXDNDOCGUREGAO-JTQLQIEISA-N	0	0	312.370	-0.975	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1	ZINC000826358943	607740625	/nfs/dbraw/zinc/74/06/25/607740625.db2.gz	OOIKFAVQUMRCHN-UHFFFAOYSA-N	0	0	301.270	-0.997	20	50		DBGDRN
O=C(NN=Cc1ccccc1-c1nn[nH]n1)[C@H]1COCCO1	ZINC000826444562	607889849	/nfs/dbraw/zinc/88/98/49/607889849.db2.gz	LLJZVRAVJYILHJ-LLVKDONJSA-N	0	0	302.294	-0.268	20	50		DBGDRN
O=C(NNC(=O)[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1	ZINC000826445088	607894304	/nfs/dbraw/zinc/89/43/04/607894304.db2.gz	GNYJWSQKSMSYHK-SNVBAGLBSA-N	0	0	302.294	-0.193	20	50		DBGDRN
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1	ZINC000826445087	608115127	/nfs/dbraw/zinc/11/51/27/608115127.db2.gz	GNYJWSQKSMSYHK-JTQLQIEISA-N	0	0	302.294	-0.193	20	50		DBGDRN
C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN(C)C(N)=O	ZINC000824746598	608862212	/nfs/dbraw/zinc/86/22/12/608862212.db2.gz	WNUORXPPSCITBW-SSDOTTSWSA-N	0	0	305.298	-0.324	20	50		DBGDRN
CCNC(=O)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000825466318	609223731	/nfs/dbraw/zinc/22/37/31/609223731.db2.gz	ZBDOFDVQHNFFRU-UHFFFAOYSA-N	0	0	317.309	-0.846	20	50		DBGDRN
O=C(NNC(=O)C1CCC1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444478	609228909	/nfs/dbraw/zinc/22/89/09/609228909.db2.gz	IJXGRDDNZNATLO-LLVKDONJSA-N	0	0	316.321	-0.152	20	50		DBGDRN
COCCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826156738	609448026	/nfs/dbraw/zinc/44/80/26/609448026.db2.gz	ROHLKLSWRUKJHG-UHFFFAOYSA-N	0	0	308.302	-0.825	20	50		DBGDRN
O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737954749	945166850	/nfs/dbraw/zinc/16/68/50/945166850.db2.gz	REHFACUXNAEROJ-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(NNS(=O)(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000738134725	945222812	/nfs/dbraw/zinc/22/28/12/945222812.db2.gz	RTHVLJGCUYLHIS-UHFFFAOYSA-N	0	0	308.323	-0.407	20	50		DBGDRN
CCOCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736624472	944858359	/nfs/dbraw/zinc/85/83/59/944858359.db2.gz	ZDZOPQLESSUZPI-UHFFFAOYSA-N	0	0	319.325	-0.153	20	50		DBGDRN
CN1CC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1=O	ZINC000736858557	944901863	/nfs/dbraw/zinc/90/18/63/944901863.db2.gz	ZWWRPGGSALADNI-JTQLQIEISA-N	0	0	316.325	-0.277	20	50		DBGDRN
COCCC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000736975337	944922609	/nfs/dbraw/zinc/92/26/09/944922609.db2.gz	ADWMNEODLCLQEQ-UHFFFAOYSA-N	0	0	320.309	-0.571	20	50		DBGDRN
CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000820837755	945566189	/nfs/dbraw/zinc/56/61/89/945566189.db2.gz	MVWWJQOGQSMJGM-UHFFFAOYSA-N	0	0	318.293	-0.419	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2cc(-c3nn[nH]n3)cn2C)n1	ZINC000821903649	945900434	/nfs/dbraw/zinc/90/04/34/945900434.db2.gz	IXPLIDFFXGZHGD-UHFFFAOYSA-N	0	0	315.297	-0.239	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)CC(F)(F)F	ZINC000822645696	946144739	/nfs/dbraw/zinc/14/47/39/946144739.db2.gz	LCKMIQUJVRFFJK-UHFFFAOYSA-N	0	0	317.231	-0.081	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)C2CCC2)c1-c1nn[nH]n1	ZINC000826347937	948063221	/nfs/dbraw/zinc/06/32/21/948063221.db2.gz	MQWLAUFODBGWNZ-UHFFFAOYSA-N	0	0	305.298	-0.347	20	50		DBGDRN
Cc1onc(CC(=O)NNC(=O)NC(C)C)c1-c1nn[nH]n1	ZINC000826348668	948077719	/nfs/dbraw/zinc/07/77/19/948077719.db2.gz	XWCGKCQHPYVIDW-UHFFFAOYSA-N	0	0	308.302	-0.556	20	50		DBGDRN
O=C(Cc1ccncc1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826423980	948272689	/nfs/dbraw/zinc/27/26/89/948272689.db2.gz	QJWINOAMTNTDAA-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
CCC(=O)NNC(=O)[C@H](C)[N@@H+]1CC[C@](COC)(C(=O)[O-])C1	ZINC001603486272	973409661	/nfs/dbraw/zinc/40/96/61/973409661.db2.gz	ITYBGZRDRAQELC-ZANVPECISA-N	0	0	301.343	-0.645	20	50		DBGDRN
C[C@@H]1C[N@@H+](CCC(=O)NNC(=O)CCNC(=O)[O-])C[C@H](C)O1	ZINC000736810171	978358264	/nfs/dbraw/zinc/35/82/64/978358264.db2.gz	OBWMMJJZYFKEJY-AOOOYVTPSA-N	0	0	316.358	-0.709	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCNC(=O)C1	ZINC000826478607	607350945	/nfs/dbraw/zinc/35/09/45/607350945.db2.gz	GPBBVQPQCIQURW-SECBINFHSA-N	0	0	301.310	-0.164	20	50		DBGDRN
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCNC(=O)C1	ZINC000826478608	607351100	/nfs/dbraw/zinc/35/11/00/607351100.db2.gz	GPBBVQPQCIQURW-VIFPVBQESA-N	0	0	301.310	-0.164	20	50		DBGDRN
CS(=O)(=O)CCC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826222615	607463249	/nfs/dbraw/zinc/46/32/49/607463249.db2.gz	DWRYYDDFUVSORY-UHFFFAOYSA-N	0	0	310.339	-0.256	20	50		DBGDRN
CN1CCO[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000826045136	607720369	/nfs/dbraw/zinc/72/03/69/607720369.db2.gz	QQBWVTVZKWVULS-LLVKDONJSA-N	0	0	303.326	-0.360	20	50		DBGDRN
O=C([O-])NCC(=O)NCC(=O)NNc1cc[nH+]c2ccccc12	ZINC000834197998	605400327	/nfs/dbraw/zinc/40/03/27/605400327.db2.gz	DZVJVMLLNFNZMS-UHFFFAOYSA-N	0	0	317.305	-0.516	20	50		DBGDRN
COCC(=O)N(C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000826148124	607995554	/nfs/dbraw/zinc/99/55/54/607995554.db2.gz	ZTGXGICYCCWJLE-UHFFFAOYSA-N	0	0	319.325	-0.585	20	50		DBGDRN
COCC(=O)N(C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826148126	607995562	/nfs/dbraw/zinc/99/55/62/607995562.db2.gz	ZZKFBDUWPDVIRE-UHFFFAOYSA-N	0	0	319.325	-0.585	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[nH]n1	ZINC000826260111	608107943	/nfs/dbraw/zinc/10/79/43/608107943.db2.gz	WSSQMHMFVPTCKF-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
CC(C)C(=O)NNC(=O)CNc1ccc(-c2nn[nH]n2)cn1	ZINC000824185366	608214969	/nfs/dbraw/zinc/21/49/69/608214969.db2.gz	XGRDFLULNDNXOF-UHFFFAOYSA-N	0	0	304.314	-0.523	20	50		DBGDRN
COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NN(C)C(N)=O	ZINC000826175050	608863947	/nfs/dbraw/zinc/86/39/47/608863947.db2.gz	RLDMHKCQRHDEIC-UHFFFAOYSA-N	0	0	321.297	-0.704	20	50		DBGDRN
O=C(Cc1cccnc1)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1	ZINC000826423961	609457968	/nfs/dbraw/zinc/45/79/68/609457968.db2.gz	PQMFAGQXECUMPR-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
Cn1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1	ZINC000737601806	945100522	/nfs/dbraw/zinc/10/05/22/945100522.db2.gz	FGVPQZAJKVFROP-UHFFFAOYSA-N	0	0	312.293	-0.325	20	50		DBGDRN
O=C(Cc1cccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737973173	945169313	/nfs/dbraw/zinc/16/93/13/945169313.db2.gz	CJGNFMVOCJLDTA-UHFFFAOYSA-N	0	0	324.304	-0.340	20	50		DBGDRN
O=C(Cc1ccccn1)NNC(=O)c1ccc(-c2nn[nH]n2)nc1	ZINC000737975262	945171446	/nfs/dbraw/zinc/17/14/46/945171446.db2.gz	XBVSRIRPVJQQDM-UHFFFAOYSA-N	0	0	324.304	-0.340	20	50		DBGDRN
O=C(NNC(=O)C1(O)CCCC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738130131	945206461	/nfs/dbraw/zinc/20/64/61/945206461.db2.gz	LAKRQQNKZULDQJ-UHFFFAOYSA-N	0	0	316.321	-0.067	20	50		DBGDRN
O=C(NNC(=O)[C@@H]1COCCO1)c1cccc(-c2nn[nH]n2)c1	ZINC000738130227	945209501	/nfs/dbraw/zinc/20/95/01/945209501.db2.gz	OELUUGCDRTXCDK-JTQLQIEISA-N	0	0	318.293	-0.957	20	50		DBGDRN
CC(C)NC(=O)C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1	ZINC000820134350	945361176	/nfs/dbraw/zinc/36/11/76/945361176.db2.gz	ZDCQQGHWEJLUGF-UHFFFAOYSA-N	0	0	307.339	-0.097	20	50		DBGDRN
COCCN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000736989273	944928998	/nfs/dbraw/zinc/92/89/98/944928998.db2.gz	XXRPROZQWDHDMW-UHFFFAOYSA-N	0	0	319.325	-0.201	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[nH]n1	ZINC000737236898	945017540	/nfs/dbraw/zinc/01/75/40/945017540.db2.gz	UELPXZRIXROETL-UHFFFAOYSA-N	0	0	312.293	-0.027	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)cn1C	ZINC000822418876	946081680	/nfs/dbraw/zinc/08/16/80/946081680.db2.gz	HRSLNPKULYNFLK-UHFFFAOYSA-N	0	0	315.297	-0.688	20	50		DBGDRN
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000822419211	946084627	/nfs/dbraw/zinc/08/46/27/946084627.db2.gz	NIFGMZGWKOJNKG-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccoc1	ZINC000822645589	946142100	/nfs/dbraw/zinc/14/21/00/946142100.db2.gz	GLCGADYZUPTWDR-UHFFFAOYSA-N	0	0	301.266	-0.127	20	50		DBGDRN
O=C(Cc1ccncc1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823114758	946315920	/nfs/dbraw/zinc/31/59/20/946315920.db2.gz	CQZHUDKXLXWYJA-UHFFFAOYSA-N	0	0	312.293	-0.407	20	50		DBGDRN
O=C(Cn1ccnc1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000823123201	946323116	/nfs/dbraw/zinc/32/31/16/946323116.db2.gz	RRQLYTUMTNGHLJ-UHFFFAOYSA-N	0	0	312.293	-0.476	20	50		DBGDRN
O=C(NCc1ccco1)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000823261541	946360642	/nfs/dbraw/zinc/36/06/42/946360642.db2.gz	MQSCVHFZRYFOLW-UHFFFAOYSA-N	0	0	316.281	-0.068	20	50		DBGDRN
Cc1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[nH]n1	ZINC000826259888	947748763	/nfs/dbraw/zinc/74/87/63/947748763.db2.gz	LBRRORUYBUKFFJ-UHFFFAOYSA-N	0	0	301.270	-0.699	20	50		DBGDRN
Cn1cc(/C=C(\C#N)C(=O)N(CC[NH+](C)C)CC(=O)[O-])cn1	ZINC001593697745	954088037	/nfs/dbraw/zinc/08/80/37/954088037.db2.gz	YWDXJGPUQVEZTJ-WUXMJOGZSA-N	0	0	305.338	-0.198	20	50		DBGDRN
C[C@H]1C[NH+](CCC(=O)NNC(=O)C(C)(C)C(=O)[O-])C[C@H](C)O1	ZINC001589394898	954358981	/nfs/dbraw/zinc/35/89/81/954358981.db2.gz	CTPGOVDOQVMICV-UWVGGRQHSA-N	0	0	315.370	-0.256	20	50		DBGDRN
C[C@@H](C(=O)[O-])C(=O)NNC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC001610100763	970667110	/nfs/dbraw/zinc/66/71/10/970667110.db2.gz	KYXSANYJHSXCKR-OPRDCNLKSA-N	0	0	301.343	-0.646	20	50		DBGDRN
O=C([O-])CCC[NH+]1CCC(=NNC(=O)C(=O)NC2CC2)CC1	ZINC000739672455	978648273	/nfs/dbraw/zinc/64/82/73/978648273.db2.gz	HXMMBFYTDSXDPG-UHFFFAOYSA-N	0	0	310.354	-0.302	20	50		DBGDRN
CCn1c(NNC(=O)[C@@H]([NH3+])CC(=O)[O-])nc2ccccc2c1=O	ZINC001597859741	989630615	/nfs/dbraw/zinc/63/06/15/989630615.db2.gz	DKQMUIXJJXJAKN-VIFPVBQESA-N	0	0	319.321	-0.339	20	50		DBGDRN
C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NNC(=O)C(=O)[O-])C1	ZINC001594380774	999439772	/nfs/dbraw/zinc/43/97/72/999439772.db2.gz	VWPSSQLANYYXPN-SECBINFHSA-N	0	0	300.359	-0.088	20	50		DBGDRN
C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O	ZINC000824040467	607354475	/nfs/dbraw/zinc/35/44/75/607354475.db2.gz	QJNPCXWOZCJENV-ZETCQYMHSA-N	0	0	310.339	-0.257	20	50		DBGDRN
C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O	ZINC000824040466	607354823	/nfs/dbraw/zinc/35/48/23/607354823.db2.gz	QJNPCXWOZCJENV-SSDOTTSWSA-N	0	0	310.339	-0.257	20	50		DBGDRN
O=C([O-])CC[N@H+](CC(=O)NNC(=O)C1CC1)C1CCOCC1	ZINC000833231887	601050110	/nfs/dbraw/zinc/05/01/10/601050110.db2.gz	DCPIDMGYROLWMM-UHFFFAOYSA-N	0	0	313.354	-0.501	20	50		DBGDRN
C[C@H](C(=O)NNC(=O)NCCNC(=O)[O-])[NH+]1CCCCCC1	ZINC000823701567	603802724	/nfs/dbraw/zinc/80/27/24/603802724.db2.gz	FJOZFYKSWQAEHM-SNVBAGLBSA-N	0	0	315.374	-0.151	20	50		DBGDRN
CN1CCO[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1	ZINC000826045137	607720497	/nfs/dbraw/zinc/72/04/97/607720497.db2.gz	QQBWVTVZKWVULS-NSHDSACASA-N	0	0	303.326	-0.360	20	50		DBGDRN
O=C(CN1CCCNC1=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000826410443	607721219	/nfs/dbraw/zinc/72/12/19/607721219.db2.gz	NLQBKPDLGMTCQL-UHFFFAOYSA-N	0	0	316.325	-0.275	20	50		DBGDRN
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCNC(=O)C1	ZINC000826479058	607728597	/nfs/dbraw/zinc/72/85/97/607728597.db2.gz	PPMISZUSDNCTQQ-VIFPVBQESA-N	0	0	301.310	-0.164	20	50		DBGDRN
O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NNC(=O)C3CC3)C[C@H]21	ZINC000834191023	605460173	/nfs/dbraw/zinc/46/01/73/605460173.db2.gz	YMOPGLFYMBCFAN-IJLUTSLNSA-N	0	0	324.381	-0.088	20	50		DBGDRN
O=C([O-])NCC(=O)NNC(=O)c1ccc(Cn2ccnc2)cc1	ZINC000834202915	605470114	/nfs/dbraw/zinc/47/01/14/605470114.db2.gz	BNBKRNQCMGOOEK-UHFFFAOYSA-N	0	0	317.305	-0.040	20	50		DBGDRN
O=C(Cn1ccnc1-c1nn[nH]n1)NNC(=O)c1ccccc1	ZINC000826424840	608013675	/nfs/dbraw/zinc/01/36/75/608013675.db2.gz	GBXOVYONWXBPSY-UHFFFAOYSA-N	0	0	312.293	-0.476	20	50		DBGDRN
CON(C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826166717	608573277	/nfs/dbraw/zinc/57/32/77/608573277.db2.gz	XMGJWMCUGFJSEQ-UHFFFAOYSA-N	0	0	305.298	-0.879	20	50		DBGDRN
Cn1cnc(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1	ZINC000826364621	608620930	/nfs/dbraw/zinc/62/09/30/608620930.db2.gz	CVKALZBZKHMASN-UHFFFAOYSA-N	0	0	314.313	-0.179	20	50		DBGDRN
C[C@@H](C#N)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000824034975	609411758	/nfs/dbraw/zinc/41/17/58/609411758.db2.gz	RBJDVPIDHFJKRP-QMMMGPOBSA-N	0	0	314.309	-0.030	20	50		DBGDRN
COc1cc[nH]c(=NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1	ZINC000826221077	609429268	/nfs/dbraw/zinc/42/92/68/609429268.db2.gz	OFBHMTVMRPORET-UHFFFAOYSA-N	0	0	301.270	-0.250	20	50		DBGDRN
Cn1nccc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737627656	945104618	/nfs/dbraw/zinc/10/46/18/945104618.db2.gz	MCTJUQTYXXWCFI-UHFFFAOYSA-N	0	0	312.293	-0.325	20	50		DBGDRN
NC(=O)[C@@H](NNC(=O)C1CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000737735353	945118069	/nfs/dbraw/zinc/11/80/69/945118069.db2.gz	CJLDSIOUGXATID-JTQLQIEISA-N	0	0	301.310	-0.576	20	50		DBGDRN
O=C(NNC(=O)[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1	ZINC000738129612	945203034	/nfs/dbraw/zinc/20/30/34/945203034.db2.gz	FDWHZODHQTUVIC-JTQLQIEISA-N	0	0	302.294	-0.336	20	50		DBGDRN
C[C@H](C#N)C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1	ZINC000819844313	945298132	/nfs/dbraw/zinc/29/81/32/945298132.db2.gz	CALMYJWGXPKOPF-MRVPVSSYSA-N	0	0	315.293	-0.447	20	50		DBGDRN
COC[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000736967018	944922399	/nfs/dbraw/zinc/92/23/99/944922399.db2.gz	FEDBLYFRAOZJHA-QMMMGPOBSA-N	0	0	304.310	-0.090	20	50		DBGDRN
COCCOCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000737006098	944930284	/nfs/dbraw/zinc/93/02/84/944930284.db2.gz	NXUDEISSNGWAQA-UHFFFAOYSA-N	0	0	320.309	-0.709	20	50		DBGDRN
CN(C)CC(=O)NNC(=O)Cc1cccc(-c2nn[nH]n2)c1	ZINC000821583109	945725254	/nfs/dbraw/zinc/72/52/54/945725254.db2.gz	IVRGPOCKWVHYDM-UHFFFAOYSA-N	0	0	303.326	-0.882	20	50		DBGDRN
CN(CC#N)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821592751	945730084	/nfs/dbraw/zinc/73/00/84/945730084.db2.gz	TWXSVFPRULCICZ-UHFFFAOYSA-N	0	0	314.309	-0.917	20	50		DBGDRN
COCCCNC(=O)NNC(=O)c1cc(-c2nn[nH]n2)c[nH]1	ZINC000821687796	945812454	/nfs/dbraw/zinc/81/24/54/945812454.db2.gz	PEUNKECNTPBCFV-UHFFFAOYSA-N	0	0	308.302	-0.825	20	50		DBGDRN
COCCO[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1	ZINC000821692091	945823700	/nfs/dbraw/zinc/82/37/00/945823700.db2.gz	NYWXFWYBQYLCFR-QMMMGPOBSA-N	0	0	308.298	-0.039	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1ccncc1	ZINC000822645978	946146437	/nfs/dbraw/zinc/14/64/37/946146437.db2.gz	ZNTJBYIIROTVFB-UHFFFAOYSA-N	0	0	312.293	-0.325	20	50		DBGDRN
CC[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000825679883	947289106	/nfs/dbraw/zinc/28/91/06/947289106.db2.gz	NOBDJNFDJDDVRY-SNVBAGLBSA-N	0	0	319.325	-0.418	20	50		DBGDRN
Cn1cc(-c2nn[nH]n2)c(NC(=O)NNC(=O)C2CCC2)n1	ZINC000826356768	948110344	/nfs/dbraw/zinc/11/03/44/948110344.db2.gz	FAPFATJIWGXCPH-UHFFFAOYSA-N	0	0	305.302	-0.447	20	50		DBGDRN
O=C([O-])C[NH+]1CCC(NS(=O)(=O)CBr)CC1	ZINC000381456882	951210164	/nfs/dbraw/zinc/21/01/64/951210164.db2.gz	IRFCFTZNWKMYRQ-UHFFFAOYSA-N	0	0	315.189	-0.193	20	50		DBGDRN
CC(C)C(=O)NNC(=O)C[NH2+]C1(CC(=O)[O-])CCOCC1	ZINC001602959335	971943443	/nfs/dbraw/zinc/94/34/43/971943443.db2.gz	PPUHKGZIVQVRJC-UHFFFAOYSA-N	0	0	301.343	-0.597	20	50		DBGDRN
CC(C)([NH2+]CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC001588795015	961375985	/nfs/dbraw/zinc/37/59/85/961375985.db2.gz	FUHBZIFVFQWNCT-UHFFFAOYSA-N	0	0	324.293	-0.191	20	50		DBGDRN
C[C@@H]1C[NH+](CCC(=O)NNC(=O)CN(C)C(=O)[O-])C[C@@H](C)O1	ZINC000736813177	978358499	/nfs/dbraw/zinc/35/84/99/978358499.db2.gz	ZRMBBGLTCDCBBU-NXEZZACHSA-N	0	0	316.358	-0.757	20	50		DBGDRN
C[C@@H](C[NH+]1CCOCC1)C(=O)NN=Cc1cccn1CC(=O)[O-]	ZINC001592622815	978591144	/nfs/dbraw/zinc/59/11/44/978591144.db2.gz	BLRXAPZGTKOTOI-LBPRGKRZSA-N	0	0	322.365	-0.009	20	50		DBGDRN
CC(C)([NH2+]CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC001590866754	990761069	/nfs/dbraw/zinc/76/10/69/990761069.db2.gz	PLXOGXRNBRGDCV-UHFFFAOYSA-N	0	0	324.293	-0.191	20	50		DBGDRN