smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=N\[O-])cc(C)c1OS(=O)(=O)c1ccc(F)cc1	ZINC000256051418	401108726	/nfs/dbraw/zinc/10/87/26/401108726.db2.gz	JCDCOVFMRGMTGR-MFOYZWKCSA-N	-1	1	323.345	3.018	40	30		DGEBMM
O=C([O-])c1ccc(-c2ccc(C=N[N-]c3cccc[nH+]3)o2)cc1	ZINC000408731262	434592601	/nfs/dbraw/zinc/59/26/01/434592601.db2.gz	ZSWZLJLDLWTLFM-ODLFYWEKSA-N	-1	1	307.309	3.486	40	30		DGEBMM
O=C([O-])c1ccc(-c2ccc(C=NNc3ccccn3)o2)cc1	ZINC000408731262	434592610	/nfs/dbraw/zinc/59/26/10/434592610.db2.gz	ZSWZLJLDLWTLFM-ODLFYWEKSA-N	-1	1	307.309	3.486	40	30		DGEBMM
O=C(Cc1nc2ccc(Cl)cc2[nH]c1=O)c1ccc([O-])cc1	ZINC000104238802	432015867	/nfs/dbraw/zinc/01/58/67/432015867.db2.gz	MUIGZWIJOQWJAX-RIYZIHGNSA-N	-1	1	314.728	3.176	40	30		DGEBMM
O=C1C=C/C(=N/c2ccc([O-])c3ncccc23)c2cccnc21	ZINC000008580022	284780770	/nfs/dbraw/zinc/78/07/70/284780770.db2.gz	BKMFKTWEULWQIS-STZFKDTASA-N	-1	1	301.305	3.209	40	30		DGEBMM
CCOc1cc(/C=N/[O-])ccc1OC(=O)c1ccccc1OC	ZINC000006155445	400091003	/nfs/dbraw/zinc/09/10/03/400091003.db2.gz	ZGHLZEKVOPNZJX-WOJGMQOQSA-N	-1	1	315.325	3.121	40	30		DGEBMM
O=C(Oc1ccc(/C=N\[O-])cc1)c1ccc(Br)cc1	ZINC000100468385	431982265	/nfs/dbraw/zinc/98/22/65/431982265.db2.gz	GFUPHRHGERBPGE-SXGWCWSVSA-N	-1	1	320.142	3.476	40	30		DGEBMM
N#C[C@@H](C(=N/[O-])/C(=N\O)[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000016957358	182066356	/nfs/dbraw/zinc/06/63/56/182066356.db2.gz	QMGCWINKDOTCDD-DBQKBQSMSA-N	-1	1	318.336	3.262	40	30		DGEBMM
Cc1ccc2nc(C(C#N)=Nc3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1	ZINC000020001500	431623209	/nfs/dbraw/zinc/62/32/09/431623209.db2.gz	QOVHNSNXLCMPSJ-NBVRZTHBSA-N	-1	1	321.296	3.130	40	30		DGEBMM
COc1ccc(C/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000408843270	434592440	/nfs/dbraw/zinc/59/24/40/434592440.db2.gz	FETZVYMIDYZIPZ-CQLSMYGBSA-N	-1	1	313.353	3.166	40	30		DGEBMM
COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c([O-])c1OC	ZINC000004691812	181137938	/nfs/dbraw/zinc/13/79/38/181137938.db2.gz	OCGIXADHTXAPKN-MDZDMXLPSA-N	-1	1	314.337	3.314	40	30		DGEBMM
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(OC)c1OC	ZINC000004917697	181173278	/nfs/dbraw/zinc/17/32/78/181173278.db2.gz	UTPDEDVSUZRNQN-WTKPLQERSA-N	-1	1	314.337	3.314	40	30		DGEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000052410986	431955631	/nfs/dbraw/zinc/95/56/31/431955631.db2.gz	GVKLAJXPRFNFHF-UHFFFAOYSA-N	-1	1	303.383	3.361	40	30		DGEBMM
N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(O)cc1[O-]	ZINC000408976601	434594804	/nfs/dbraw/zinc/59/48/04/434594804.db2.gz	BAZGHTVVVWJSKW-UHFFFAOYSA-N	-1	1	303.321	3.281	40	30		DGEBMM
CCOc1cc(/C=N/[O-])ccc1OC(=O)c1ccc(F)cc1	ZINC000006960217	400094864	/nfs/dbraw/zinc/09/48/64/400094864.db2.gz	DRPOHWADWJRZAT-VCHYOVAHSA-N	-1	1	303.289	3.252	40	30		DGEBMM
COc1cc([O-])c(C(=O)/C=C\c2ccccc2)c(O)c1OC	ZINC000017060877	182074074	/nfs/dbraw/zinc/07/40/74/182074074.db2.gz	KVDNSLPRNTZIKF-HJWRWDBZSA-N	-1	1	300.310	3.011	40	30	biogenic,in-vitro	DGEBMM
COc1cc(O)c(C(=O)/C=C\c2ccccc2)c([O-])c1OC	ZINC000017060877	182074076	/nfs/dbraw/zinc/07/40/76/182074076.db2.gz	KVDNSLPRNTZIKF-HJWRWDBZSA-N	-1	1	300.310	3.011	40	30	biogenic,in-vitro	DGEBMM
COc1ccc(/C=C\C(=O)c2c([O-])ccc(OC)c2OC)cc1	ZINC000017352248	182083944	/nfs/dbraw/zinc/08/39/44/182083944.db2.gz	WXNMBICJBTXURA-TWGQIWQCSA-N	-1	1	314.337	3.314	40	30		DGEBMM
O=C(Oc1ccc(/C=N/[O-])cc1)c1ccccc1Br	ZINC000000318513	431165345	/nfs/dbraw/zinc/16/53/45/431165345.db2.gz	JEMUPBOCTJUVCJ-CXUHLZMHSA-N	-1	1	320.142	3.476	40	30		DGEBMM
Cc1ccc(N=NC(N=Nc2nn[n-]n2)c2ccccc2)cc1	ZINC000039502343	183019350	/nfs/dbraw/zinc/01/93/50/183019350.db2.gz	RJRORZLYYMQEIB-PVSZGKERSA-N	-1	1	306.333	3.066	40	30		DGEBMM
CC1=CC(O)=C(C([O-])(C(F)(F)F)C(F)(F)F)C(C)(C)C1	ZINC000001637012	278493739	/nfs/dbraw/zinc/49/37/39/278493739.db2.gz	NGQSHSNHDAUHIQ-MRVPVSSYSA-N	-1	1	304.230	3.404	40	30		DGEBMM
[O-]/N=C(/Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F	ZINC000017000044	431612435	/nfs/dbraw/zinc/61/24/35/431612435.db2.gz	CSKPREQAWKWFCQ-OCKHKDLRSA-N	-1	1	315.213	3.305	40	30		DGEBMM
N#Cc1ccccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1	ZINC000409331542	434600243	/nfs/dbraw/zinc/60/02/43/434600243.db2.gz	OMBIVSATEBTWSB-QPEQYQDCSA-N	-1	1	312.375	3.307	40	30		DGEBMM
CCOP(=O)([N-]C(=S)NNc1ccccc1)OCC	ZINC000005575777	257231561	/nfs/dbraw/zinc/23/15/61/257231561.db2.gz	WSBSLYQJMHQBAJ-UHFFFAOYSA-N	-1	1	303.324	3.070	40	30		DGEBMM
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3s2)ccc1[O-]	ZINC000033247388	527326045	/nfs/dbraw/zinc/32/60/45/527326045.db2.gz	GPEVFWSTIKKLTH-NVNXTCNLSA-N	-1	1	314.326	3.356	40	30		DGEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1	ZINC000225595923	186281828	/nfs/dbraw/zinc/28/18/28/186281828.db2.gz	MSORGSOYCNGCPY-UHFFFAOYSA-N	-1	1	321.373	3.500	40	30		DGEBMM
COc1cc(/C=N/[O-])ccc1OCc1nc2ccccc2nc1C	ZINC000016265395	182038749	/nfs/dbraw/zinc/03/87/49/182038749.db2.gz	XWFZZGNFXJSRJI-VXLYETTFSA-N	-1	1	323.352	3.334	40	30		DGEBMM
CCCCCCCCCCCCS(=O)(=O)c1nc[n-]n1	ZINC000097965958	431975440	/nfs/dbraw/zinc/97/54/40/431975440.db2.gz	CLPZBEOSRITFDN-UHFFFAOYSA-N	-1	1	301.456	3.499	40	30		DGEBMM
COc1cccc(C(=O)/C=C/c2ccc3nccnc3c2)c1[O-]	ZINC000095116821	657434697	/nfs/dbraw/zinc/43/46/97/657434697.db2.gz	LKJAHTQHWUEXLO-SOFGYWHQSA-N	-1	1	306.321	3.240	40	30		DGEBMM
N#C[C@@H](C(=N\[O-])/C(=N/O)[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286014	432016733	/nfs/dbraw/zinc/01/67/33/432016733.db2.gz	QMGCWINKDOTCDD-BWALQORKSA-N	-1	1	318.336	3.262	40	30		DGEBMM
O=C([O-])c1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1	ZINC000005119811	181205526	/nfs/dbraw/zinc/20/55/26/181205526.db2.gz	FCHRLPPUNQKKMO-FBCYGCLPSA-N	-1	1	309.247	3.245	40	30		DGEBMM
O=C(C=C([O-])C(=O)Nc1cccc2ncccc21)c1ccccc1	ZINC000100930527	431983053	/nfs/dbraw/zinc/98/30/53/431983053.db2.gz	NAOHZYROHGHRQA-PDGQHHTCSA-N	-1	1	318.332	3.498	40	30		DGEBMM
O=C(COc1cccc(/C=N\[O-])c1)Nc1ccc(Cl)cc1	ZINC000409224706	434598679	/nfs/dbraw/zinc/59/86/79/434598679.db2.gz	LYEAVCORADYXRI-MFOYZWKCSA-N	-1	1	304.733	3.166	40	30		DGEBMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(C)c2)cc1	ZINC000005929694	181297275	/nfs/dbraw/zinc/29/72/75/181297275.db2.gz	MBSWUVXOONKRTJ-UHFFFAOYSA-N	-1	1	304.371	3.018	40	30		DGEBMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccc(C)c2)cc1	ZINC000005929694	181297277	/nfs/dbraw/zinc/29/72/77/181297277.db2.gz	MBSWUVXOONKRTJ-UHFFFAOYSA-N	-1	1	304.371	3.018	40	30		DGEBMM
O=C(COc1cccc(/C=N\[O-])c1)Nc1ccccc1Cl	ZINC000103608806	400310130	/nfs/dbraw/zinc/31/01/30/400310130.db2.gz	BBAGXHIMHRAELE-MFOYZWKCSA-N	-1	1	304.733	3.166	40	30		DGEBMM
C=CCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000048512868	431927804	/nfs/dbraw/zinc/92/78/04/431927804.db2.gz	YXPRUUUVUNNOIN-SECBINFHSA-N	-1	1	322.821	3.271	40	30		DGEBMM
C=CCn1c([C@H](C)NC(=O)c2cccc(Cl)c2)n[n-]c1=S	ZINC000005912059	181295586	/nfs/dbraw/zinc/29/55/86/181295586.db2.gz	NEVKZHZTWQAPHT-VIFPVBQESA-N	-1	1	322.821	3.271	40	30		DGEBMM
NC(=S)N/N=C/c1cc(C2CCCCC2)cc(Cl)c1[O-]	ZINC000005749144	283396318	/nfs/dbraw/zinc/39/63/18/283396318.db2.gz	NURMQPKHAQYMAM-CAOOACKPSA-N	-1	1	311.838	3.260	40	30		DGEBMM
COc1ccc(Br)c(/C=N/c2ncccc2[O-])c1O	ZINC000003034056	431281706	/nfs/dbraw/zinc/28/17/06/431281706.db2.gz	UZGCJQJEECPJDX-FRKPEAEDSA-N	-1	1	323.146	3.015	40	30		DGEBMM
N#CC1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1	ZINC000222988719	432674712	/nfs/dbraw/zinc/67/47/12/432674712.db2.gz	BMLQDVAGLCOEFY-UHFFFAOYSA-N	-1	1	316.357	3.182	40	30		DGEBMM
COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(O)c1OC	ZINC000004252560	181088586	/nfs/dbraw/zinc/08/85/86/181088586.db2.gz	KVDNSLPRNTZIKF-CMDGGOBGSA-N	-1	1	300.310	3.011	40	30	biogenic,in-vitro	DGEBMM
COc1cc(O)c(C(=O)/C=C/c2ccccc2)c([O-])c1OC	ZINC000004252560	181088588	/nfs/dbraw/zinc/08/85/88/181088588.db2.gz	KVDNSLPRNTZIKF-CMDGGOBGSA-N	-1	1	300.310	3.011	40	30	biogenic,in-vitro	DGEBMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=N[O-])c1ccc(C)cc1	ZINC000006204133	181319219	/nfs/dbraw/zinc/31/92/19/181319219.db2.gz	QVCDQDBZSLFSEY-LVZFUZTISA-N	-1	1	307.353	3.421	40	30		DGEBMM
CN(C)c1ccc(C=C2/C(=N/[O-])c3ccccc3/C2=N/O)cc1	ZINC000017024327	182068316	/nfs/dbraw/zinc/06/83/16/182068316.db2.gz	XBVIKXVKRQGMRM-KBIUFABHSA-N	-1	1	307.353	3.206	40	30		DGEBMM
[O-]c1ccc(/C=N/c2cccnc2)cc1I	ZINC000408963705	434595038	/nfs/dbraw/zinc/59/50/38/434595038.db2.gz	OOTAEQJWCHYCNW-VIZOYTHASA-N	-1	1	324.121	3.142	40	30		DGEBMM
O=C1N([O-])c2cccnc2OC1(c1ccccc1)c1ccccc1	ZINC000016477876	304653315	/nfs/dbraw/zinc/65/33/15/304653315.db2.gz	QXAKOPSEUMBEPN-UHFFFAOYSA-N	-1	1	318.332	3.140	40	30		DGEBMM
O=C(Cc1nc2ccc(Cl)cc2[nH]c1=O)c1ccc([O-])cc1	ZINC000017142061	182077198	/nfs/dbraw/zinc/07/71/98/182077198.db2.gz	MUIGZWIJOQWJAX-ZSOIEALJSA-N	-1	1	314.728	3.176	40	30		DGEBMM
O=c1[nH]c2cc(Cl)ccc2nc1C1=C([O-])c2ccccc2C1	ZINC000104238810	285023743	/nfs/dbraw/zinc/02/37/43/285023743.db2.gz	FCMOCFYXRQEDFO-QINSGFPZSA-N	-1	1	310.740	3.397	40	30		DGEBMM
O=c1[nH]c2cc(Cl)ccc2nc1C1=C([O-])c2ccccc2C1	ZINC000017142062	285023329	/nfs/dbraw/zinc/02/33/29/285023329.db2.gz	FCMOCFYXRQEDFO-NTCAYCPXSA-N	-1	1	310.740	3.397	40	30		DGEBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C	ZINC000032586427	431783774	/nfs/dbraw/zinc/78/37/74/431783774.db2.gz	NNKFFIULHUEHRI-UHFFFAOYSA-N	-1	1	316.382	3.066	40	30		DGEBMM
C#CCOc1ccc2ccccc2c1C=Nn1c(C)n[n-]c1=S	ZINC000045926751	400541356	/nfs/dbraw/zinc/54/13/56/400541356.db2.gz	WKRYMMAPIDJLHI-WOJGMQOQSA-N	-1	1	322.393	3.297	40	30		DGEBMM
CC1=CC(O)=C(C([O-])(C(F)(F)F)C(F)(F)F)C(C)(C)C1	ZINC000005757623	278493744	/nfs/dbraw/zinc/49/37/44/278493744.db2.gz	NGQSHSNHDAUHIQ-QMMMGPOBSA-N	-1	1	304.230	3.404	40	30		DGEBMM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCCCC2)cc1	ZINC000000001516	431111461	/nfs/dbraw/zinc/11/14/61/431111461.db2.gz	XTOBSLUVJNOXGB-UHFFFAOYSA-N	-1	1	324.446	3.300	40	30	in-man	DGEBMM
[O-]/N=C(\Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F	ZINC000104147365	432014630	/nfs/dbraw/zinc/01/46/30/432014630.db2.gz	CSKPREQAWKWFCQ-DJKKODMXSA-N	-1	1	315.213	3.305	40	30		DGEBMM
COc1ccc(/C=C/C(=O)c2c([O-])ccc(OC)c2OC)cc1	ZINC000004887086	181167797	/nfs/dbraw/zinc/16/77/97/181167797.db2.gz	WXNMBICJBTXURA-RMKNXTFCSA-N	-1	1	314.337	3.314	40	30		DGEBMM
[O-]c1ccc(/C=N/NC(=S)Nc2ccccc2)cc1Cl	ZINC000005741078	181279297	/nfs/dbraw/zinc/27/92/97/181279297.db2.gz	AQQHECQYHKUJFZ-CXUHLZMHSA-N	-1	1	305.790	3.366	40	30		DGEBMM
Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1F	ZINC000105590292	194112977	/nfs/dbraw/zinc/11/29/77/194112977.db2.gz	DCUVHMYBKMVRQS-UHFFFAOYSA-N	-1	1	304.346	3.001	40	30		DGEBMM
O=C([O-])c1ccccc1-c1ccc(C=NNc2ccccn2)o1	ZINC000033786603	400383805	/nfs/dbraw/zinc/38/38/05/400383805.db2.gz	BTUHMNBOWMMVBQ-ODLFYWEKSA-N	-1	1	307.309	3.486	40	30		DGEBMM
COc1cc(O)c(OC)c([O-])c1C(=O)/C=C\c1ccccc1	ZINC000101509357	431984639	/nfs/dbraw/zinc/98/46/39/431984639.db2.gz	BXMWIRIMYNWIGQ-HJWRWDBZSA-N	-1	1	300.310	3.011	40	30		DGEBMM
O=[N+]([O-])c1cccc(C=NN=c2ccc3ccccc3[nH]2)c1[O-]	ZINC000013703997	431567581	/nfs/dbraw/zinc/56/75/81/431567581.db2.gz	RLGCDBYMJUKHRX-YVLHZVERSA-N	-1	1	308.297	3.295	40	30	in-vitro	DGEBMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1	ZINC000225605973	186282568	/nfs/dbraw/zinc/28/25/68/186282568.db2.gz	CRZKUPKOSWJZDB-UHFFFAOYSA-N	-1	1	321.373	3.500	40	30		DGEBMM
C#CCOc1ccc2ccccc2c1C=C1SC(=O)[N-]C1=O	ZINC000006261679	181324147	/nfs/dbraw/zinc/32/41/47/181324147.db2.gz	ZPUMFJNNRZXLBT-XNTDXEJSSA-N	-1	1	309.346	3.176	40	30		DGEBMM
CC[C@H](/C(=N/[O-])c1ccc(Cl)cc1Cl)S(=O)(=O)CC	ZINC000096524618	431955468	/nfs/dbraw/zinc/95/54/68/431955468.db2.gz	QXLQTSAQZBIVOQ-UAKDJOGKSA-N	-1	1	324.229	3.385	40	30		DGEBMM
CC/N=C1\S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1CC	ZINC000408786476	434593509	/nfs/dbraw/zinc/59/35/09/434593509.db2.gz	QPWKXVZNRWQLOK-ZAPVNNSISA-N	-1	1	310.806	3.358	40	30		DGEBMM
N#C[C@@H](C(=N\[O-])/C(=N\O)[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286007	432016641	/nfs/dbraw/zinc/01/66/41/432016641.db2.gz	QMGCWINKDOTCDD-DEPSCPTASA-N	-1	1	318.336	3.262	40	30		DGEBMM
[O-]/N=C/c1ccc(-c2ccc(I)cc2)o1	ZINC000113861642	431366341	/nfs/dbraw/zinc/36/63/41/431366341.db2.gz	LSNVZQZOXPJGPU-NTUHNPAUSA-N	-1	1	313.094	3.359	40	30		DGEBMM
CC[C@@H](/C(=N/[O-])c1ccc(Cl)cc1Cl)S(=O)(=O)CC	ZINC000096524617	431955412	/nfs/dbraw/zinc/95/54/12/431955412.db2.gz	QXLQTSAQZBIVOQ-NUFCYMDASA-N	-1	1	324.229	3.385	40	30		DGEBMM
COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1OC	ZINC000004887087	181168027	/nfs/dbraw/zinc/16/80/27/181168027.db2.gz	RURQJVCNVGERHF-WEVVVXLNSA-N	-1	1	300.310	3.011	40	30	endogenous,in-man	DGEBMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1Cl	ZINC000032586428	431784109	/nfs/dbraw/zinc/78/41/09/431784109.db2.gz	QVTSKPIXDJQKSJ-UHFFFAOYSA-N	-1	1	322.773	3.021	40	30		DGEBMM
C=CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)n[n-]c1=S	ZINC000048512865	431927713	/nfs/dbraw/zinc/92/77/13/431927713.db2.gz	YXPRUUUVUNNOIN-VIFPVBQESA-N	-1	1	322.821	3.271	40	30		DGEBMM
N#C[C@@H](C(=N/[O-])/C(=N/O)[C@@H](C#N)c1ccccc1)c1ccccc1	ZINC000104286019	432016292	/nfs/dbraw/zinc/01/62/92/432016292.db2.gz	QMGCWINKDOTCDD-IXXNFOAGSA-N	-1	1	318.336	3.262	40	30		DGEBMM
COc1cc(O)c(OC)c([O-])c1C(=O)/C=C/c1ccccc1	ZINC000004252559	181088516	/nfs/dbraw/zinc/08/85/16/181088516.db2.gz	BXMWIRIMYNWIGQ-CMDGGOBGSA-N	-1	1	300.310	3.011	40	30	biogenic	DGEBMM
CCOC(=O)N=C([N-]C(=O)OCC)c1c(C)cc(C)cc1C	ZINC000005717046	181276558	/nfs/dbraw/zinc/27/65/58/181276558.db2.gz	QYIVPGVFIQQUKX-UHFFFAOYSA-N	-1	1	306.362	3.261	40	30		DGEBMM
C=CCn1c([C@@H](C)NC(=O)c2cccc(Cl)c2)n[n-]c1=S	ZINC000005954529	181300952	/nfs/dbraw/zinc/30/09/52/181300952.db2.gz	NEVKZHZTWQAPHT-SECBINFHSA-N	-1	1	322.821	3.271	40	30		DGEBMM
[O-]/N=C/c1ccc(Cl)c(I)c1Cl	ZINC000083301854	431809006	/nfs/dbraw/zinc/80/90/06/431809006.db2.gz	LJWKJZNSQXMQPS-QDEBKDIKSA-N	-1	1	315.925	3.406	40	30		DGEBMM
CCOc1c(Br)cc(Br)cc1/C=N/[O-]	ZINC000057324292	431990993	/nfs/dbraw/zinc/99/09/93/431990993.db2.gz	AGMOSTFZMJYTMG-LFYBBSHMSA-N	-1	1	322.984	3.418	40	30		DGEBMM
Cc1nc(N)c(C#N)c(-c2ccc(O)cc2[O-])c1-c1ccccc1	ZINC000408977808	434595440	/nfs/dbraw/zinc/59/54/40/434595440.db2.gz	FSIZZPRHFRUADZ-UHFFFAOYSA-N	-1	1	317.348	3.589	40	30		DGEBMM
CCCOc1cc(Br)c(/C=N\[O-])cc1OCC	ZINC000105827421	400324154	/nfs/dbraw/zinc/32/41/54/400324154.db2.gz	QHZJEFGGSUVSLI-ZSOIEALJSA-N	-1	1	302.168	3.445	40	30		DGEBMM
[O-]/N=C/c1ccc(-c2cccc(I)c2)o1	ZINC000216872813	333389616	/nfs/dbraw/zinc/38/96/16/333389616.db2.gz	ZEEYGCLMQUEFRW-NTUHNPAUSA-N	-1	1	313.094	3.359	40	30		DGEBMM
COc1cc(/C=N/[O-])ccc1OC(=O)c1ccc(Cl)cc1	ZINC000216945061	333389829	/nfs/dbraw/zinc/38/98/29/333389829.db2.gz	BTZMKUMQINOTLX-RQZCQDPDSA-N	-1	1	305.717	3.376	40	30		DGEBMM
Cc1ccc(S(=O)(=O)Oc2c(C)cc(/C=N\[O-])cc2C)cc1	ZINC000256054663	620998408	/nfs/dbraw/zinc/99/84/08/620998408.db2.gz	XFXUGQXAYYVVAQ-YVLHZVERSA-N	-1	1	319.382	3.188	40	30		DGEBMM
COc1ccc(C(=O)/C=C\c2ccc(O)cc2)c([O-])c1OC	ZINC000017352252	182084178	/nfs/dbraw/zinc/08/41/78/182084178.db2.gz	RURQJVCNVGERHF-UITAMQMPSA-N	-1	1	300.310	3.011	40	30		DGEBMM
CCCCCCCCOC(=O)CSc1nc(C)cc(=O)[n-]1	ZINC000104556383	432017168	/nfs/dbraw/zinc/01/71/68/432017168.db2.gz	MPEAIJZMEFMQNQ-UHFFFAOYSA-N	-1	1	312.435	3.486	40	30		DGEBMM
COc1cc(OC)c(C(=O)/C=C\c2ccccc2)c([O-])c1OC	ZINC000017148433	182077163	/nfs/dbraw/zinc/07/71/63/182077163.db2.gz	OCGIXADHTXAPKN-KTKRTIGZSA-N	-1	1	314.337	3.314	40	30		DGEBMM
C=CCn1c([C@H](NC(=O)c2cccs2)C(C)C)n[n-]c1=S	ZINC000085400231	431838733	/nfs/dbraw/zinc/83/87/33/431838733.db2.gz	DCAYRXWLAMYYQU-LLVKDONJSA-N	-1	1	322.459	3.315	40	30		DGEBMM
C=CCn1c([C@@H](NC(=O)c2cccs2)C(C)C)n[n-]c1=S	ZINC000085400228	431839480	/nfs/dbraw/zinc/83/94/80/431839480.db2.gz	DCAYRXWLAMYYQU-NSHDSACASA-N	-1	1	322.459	3.315	40	30		DGEBMM
Cc1ccc(NC(=O)COc2cccc(/C=N\[O-])c2)cc1Cl	ZINC000409251737	434600067	/nfs/dbraw/zinc/60/00/67/434600067.db2.gz	QLCCKGCLMPZVCH-NVMNQCDNSA-N	-1	1	318.760	3.474	40	30		DGEBMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(Cl)c2)cc1	ZINC000003154305	431282975	/nfs/dbraw/zinc/28/29/75/431282975.db2.gz	HGSGMOBRNKXSJY-UHFFFAOYSA-N	-1	1	324.789	3.363	40	30		DGEBMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2cccc(Cl)c2)cc1	ZINC000003154305	431282983	/nfs/dbraw/zinc/28/29/83/431282983.db2.gz	HGSGMOBRNKXSJY-UHFFFAOYSA-N	-1	1	324.789	3.363	40	30		DGEBMM
COc1ccc(C/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000408843277	434593602	/nfs/dbraw/zinc/59/36/02/434593602.db2.gz	FETZVYMIDYZIPZ-QXGSTRBFSA-N	-1	1	313.353	3.166	40	30		DGEBMM