smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
ONc1nc[n-]c2nc(-c3cscn3)nc1-2	ZINC000169324885	183172733	/nfs/dbraw/zinc/17/27/33/183172733.db2.gz	WQUYKXQMCGLEHS-UHFFFAOYSA-N	-1	3	234.244	1.278	1	0		BDAFHM
ONc1[n-]cnc2nc(-c3cscn3)nc1-2	ZINC000169324885	183172734	/nfs/dbraw/zinc/17/27/34/183172734.db2.gz	WQUYKXQMCGLEHS-UHFFFAOYSA-N	-1	3	234.244	1.278	1	0		BDAFHM
ONc1ncnc2nc(-c3cscn3)[n-]c21	ZINC000169324885	183172735	/nfs/dbraw/zinc/17/27/35/183172735.db2.gz	WQUYKXQMCGLEHS-UHFFFAOYSA-N	-1	3	234.244	1.278	1	0		BDAFHM
ONc1ncnc2[n-]c(-c3cscn3)nc21	ZINC000169324885	183172736	/nfs/dbraw/zinc/17/27/36/183172736.db2.gz	WQUYKXQMCGLEHS-UHFFFAOYSA-N	-1	3	234.244	1.278	1	0		BDAFHM
O=c1cccc2oc3n[nH]nc3c([O-])c1-2	ZINC000100836859	183297789	/nfs/dbraw/zinc/29/77/89/183297789.db2.gz	CTLVSIBVIJPICB-UHFFFAOYSA-N	-1	3	203.157	1.134	1	0		BDAFHM
O=c1c2n[nH]nc2oc2cccc([O-])c21	ZINC000100836859	183297792	/nfs/dbraw/zinc/29/77/92/183297792.db2.gz	CTLVSIBVIJPICB-UHFFFAOYSA-N	-1	3	203.157	1.134	1	0		BDAFHM
CN1C[N-]S(=O)(=O)c2sc(Cl)cc21	ZINC000103285518	173179911	/nfs/dbraw/zinc/17/99/11/173179911.db2.gz	BKGNYESSTVQCDU-UHFFFAOYSA-N	-1	3	238.721	1.087	1	0		BDAFHM
COc1ccc2c(c1)CCC[C@H]2N([O-])C(N)=O	ZINC000013760608	175207666	/nfs/dbraw/zinc/20/76/66/175207666.db2.gz	XFGMKVYBHUHNEI-LLVKDONJSA-N	-1	3	236.271	1.843	1	0		BDAFHM
S=C1[N-]c2ccccc2[C@@]12CCNC2=S	ZINC000012509689	183312615	/nfs/dbraw/zinc/31/26/15/183312615.db2.gz	OIDCZOCVOJNTRE-LLVKDONJSA-N	-1	3	234.349	1.998	3	0		BDAFHM
COc1cc2occc([O-])c-2c(=O)c1OC	ZINC000072109279	175029014	/nfs/dbraw/zinc/02/90/14/175029014.db2.gz	YZBKMZJFKYGNON-UHFFFAOYSA-N	-1	3	222.196	1.516	1	0	in-vitro	BDAFHM
CC(C)CC(NC(=O)[C@H](N)CC(C)C)C(=O)[O-]	ZINC000069487333	574416064	/nfs/dbraw/zinc/41/60/64/574416064.db2.gz	HPRJUQBULWKPKP-SECBINFHSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(CC(C)C)C(=O)[O-]	ZINC000100387094	574417836	/nfs/dbraw/zinc/41/78/36/574417836.db2.gz	ISALBZUWTGDYEQ-WCBMZHEXSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
COCc1c(COC(C)=O)cnc(C)c1[O-]	ZINC000014684235	187242762	/nfs/dbraw/zinc/24/27/62/187242762.db2.gz	SCOIRJZWENYYBB-UHFFFAOYSA-N	-1	3	225.244	1.305	1	0		BDAFHM
COc1cc([O-])c2c(c1)[C@H](O)[C@@H](OC)CC2=O	ZINC000095558669	175005870	/nfs/dbraw/zinc/00/58/70/175005870.db2.gz	XSOJIFIVOUGYKW-JQWIXIFHSA-N	-1	3	238.239	1.036	1	0		BDAFHM
COc1cc2oc(C)cc([O-])c-2c(=O)c1OC	ZINC000014814600	175029288	/nfs/dbraw/zinc/02/92/88/175029288.db2.gz	PJCFJNHVNWMRPD-UHFFFAOYSA-N	-1	3	236.223	1.824	1	0	biogenic,in-vitro	BDAFHM
COc1ccc2ncc(-c3nnn[n-]3)cc2c1	ZINC000095299464	175230476	/nfs/dbraw/zinc/23/04/76/175230476.db2.gz	QOBQEUKJYZHESA-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
COc1ccc2ncc(-c3nn[n-]n3)cc2c1	ZINC000095299464	175230478	/nfs/dbraw/zinc/23/04/78/175230478.db2.gz	QOBQEUKJYZHESA-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
CC(C)CC(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000100388831	574418404	/nfs/dbraw/zinc/41/84/04/574418404.db2.gz	IPZZRVRYOGYNKN-SECBINFHSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
CSCC[C@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000069487613	574416106	/nfs/dbraw/zinc/41/61/06/574416106.db2.gz	IHWFNNWCTUTQIZ-ZETCQYMHSA-N	-1	3	248.348	1.124	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(CC(C)C)C(=O)[O-]	ZINC000100387097	574417838	/nfs/dbraw/zinc/41/78/38/574417838.db2.gz	ISALBZUWTGDYEQ-SCZZXKLOSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
COc1cccc2cc(-c3nnn[n-]3)cnc21	ZINC000169332891	175306493	/nfs/dbraw/zinc/30/64/93/175306493.db2.gz	JGRZKWLOSJETSH-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
COc1cccc2cc(-c3nn[n-]n3)cnc21	ZINC000169332891	175306494	/nfs/dbraw/zinc/30/64/94/175306494.db2.gz	JGRZKWLOSJETSH-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
CC[C@H](C)C(NC(=O)[C@H](N)CC(C)C)C(=O)[O-]	ZINC000069487324	574416030	/nfs/dbraw/zinc/41/60/30/574416030.db2.gz	YMUUTOVKCFURHD-DTWKUNHWSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
Cc1ccc(-n2cc3nc(C)[n-]c(=O)c3n2)cc1	ZINC000045316124	178346192	/nfs/dbraw/zinc/34/61/92/178346192.db2.gz	OAGNBKWJJYOKMX-UHFFFAOYSA-N	-1	3	240.266	1.726	1	0		BDAFHM
N[C@](CF)(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000006117678	560205334	/nfs/dbraw/zinc/20/53/34/560205334.db2.gz	BZEQVHKJCVLJMC-LBPRGKRZSA-N	-1	3	236.246	1.462	1	0	in-vitro	BDAFHM
CC[C@H](C)C(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000100388821	574418442	/nfs/dbraw/zinc/41/84/42/574418442.db2.gz	QRRRFSIKXPSBKO-JGVFFNPUSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
O=c1c2n[n-]nc2sc2ccccc21	ZINC000102198931	183253900	/nfs/dbraw/zinc/25/39/00/183253900.db2.gz	QDDSNLUDGKOMHA-UHFFFAOYSA-N	-1	3	203.226	1.897	1	0		BDAFHM
O=c1[n-]cnc2nc3c(nc12)[C@@H]1CCCC[C@H]31	ZINC000028346926	183309263	/nfs/dbraw/zinc/30/92/63/183309263.db2.gz	NYMVCYHLNSJSBM-RQJHMYQMSA-N	-1	3	228.255	1.880	1	0		BDAFHM
c1c(Cc2nnn[n-]2)[nH]nc1-c1ccccc1	ZINC000028478238	183379797	/nfs/dbraw/zinc/37/97/97/183379797.db2.gz	BMANMNQDDDBGEH-UHFFFAOYSA-N	-1	3	226.243	1.181	1	0		BDAFHM
c1c(Cc2nn[n-]n2)[nH]nc1-c1ccccc1	ZINC000028478238	183379798	/nfs/dbraw/zinc/37/97/98/183379798.db2.gz	BMANMNQDDDBGEH-UHFFFAOYSA-N	-1	3	226.243	1.181	1	0		BDAFHM
CCc1nc2c(c(=O)[n-]1)Cc1ccccc1N2	ZINC000025970871	172008362	/nfs/dbraw/zinc/00/83/62/172008362.db2.gz	RKNIWFVSGHMSHJ-UHFFFAOYSA-N	-1	3	227.267	1.980	1	0		BDAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)CC	ZINC000100387066	574417770	/nfs/dbraw/zinc/41/77/70/574417770.db2.gz	OHXHHJOSJWGMNF-HRDYMLBCSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC(C)CC(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000100388835	574418406	/nfs/dbraw/zinc/41/84/06/574418406.db2.gz	IPZZRVRYOGYNKN-VIFPVBQESA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
COc1c(=O)[nH]c2c([O-])cccc2c1OC	ZINC000043170562	560085604	/nfs/dbraw/zinc/08/56/04/560085604.db2.gz	GGHDZCVRYSXWSM-UHFFFAOYSA-N	-1	3	221.212	1.251	1	0	biogenic,in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000100387071	574417792	/nfs/dbraw/zinc/41/77/92/574417792.db2.gz	OHXHHJOSJWGMNF-DJLDLDEBSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
O=C([O-])[C@H]1NCc2nc[nH]c2[C@@H]1c1ccccc1	ZINC000013831346	187251111	/nfs/dbraw/zinc/25/11/11/187251111.db2.gz	DRTXKNCPMBPOMZ-JQWIXIFHSA-N	-1	3	243.266	1.098	1	0		BDAFHM
O=C([O-])[C@H]1NCc2[nH]cnc2[C@@H]1c1ccccc1	ZINC000013831346	187251113	/nfs/dbraw/zinc/25/11/13/187251113.db2.gz	DRTXKNCPMBPOMZ-JQWIXIFHSA-N	-1	3	243.266	1.098	1	0		BDAFHM
O=c1[n-]cnc2nc3c(nc12)[C@H]1CCCC[C@H]31	ZINC000028346914	183308905	/nfs/dbraw/zinc/30/89/05/183308905.db2.gz	NYMVCYHLNSJSBM-BQBZGAKWSA-N	-1	3	228.255	1.880	1	0		BDAFHM
COc1ccc2c(c1[O-])CO[C@@H](C)C2=O	ZINC000095558120	175222097	/nfs/dbraw/zinc/22/20/97/175222097.db2.gz	JEIXQVSXGQIXPF-LURJTMIESA-N	-1	3	208.213	1.502	1	0		BDAFHM
Oc1cccc2c(-c3nnn[n-]3)ccnc12	ZINC000036380955	183294323	/nfs/dbraw/zinc/29/43/23/183294323.db2.gz	CPCKDRLIXRSIAZ-UHFFFAOYSA-N	-1	3	213.200	1.121	1	0		BDAFHM
Oc1cccc2c(-c3nn[n-]n3)ccnc12	ZINC000036380955	183294324	/nfs/dbraw/zinc/29/43/24/183294324.db2.gz	CPCKDRLIXRSIAZ-UHFFFAOYSA-N	-1	3	213.200	1.121	1	0		BDAFHM
COc1cc2c(cc1[O-])CO[C@@H](C)C2=O	ZINC000095562262	175023379	/nfs/dbraw/zinc/02/33/79/175023379.db2.gz	XJUAOBWJQWBVMO-LURJTMIESA-N	-1	3	208.213	1.502	1	0		BDAFHM
CSCCC(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000100388848	574418400	/nfs/dbraw/zinc/41/84/00/574418400.db2.gz	ZMGJEYOGXQQQKG-QMMMGPOBSA-N	-1	3	248.348	1.124	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000100388820	574418424	/nfs/dbraw/zinc/41/84/24/574418424.db2.gz	QRRRFSIKXPSBKO-HTQZYQBOSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)[C@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487221	574416024	/nfs/dbraw/zinc/41/60/24/574416024.db2.gz	BPKBPSVIQZURTE-APPZFPTMSA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
CC(C)C[C@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487360	574416074	/nfs/dbraw/zinc/41/60/74/574416074.db2.gz	UDUJIVOIWBSQAG-QMMMGPOBSA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
COc1cc2ccn(C)c(=O)c2c(OC)c1[O-]	ZINC000013385594	290759804	/nfs/dbraw/zinc/75/98/04/290759804.db2.gz	OJLLODMRNXRZIT-UHFFFAOYSA-N	-1	3	235.239	1.261	1	0	biogenic,in-vitro	BDAFHM
O=c1[n-]cnc2ncc(-c3ccc(O)cc3)nc12	ZINC000013130076	183263971	/nfs/dbraw/zinc/26/39/71/183263971.db2.gz	HYSASFYDLUOAEZ-UHFFFAOYSA-N	-1	3	240.222	1.498	1	0		BDAFHM
CCC(C)(C)CCn1cnc2c1nc[n-]c2=O	ZINC000013735757	168277973	/nfs/dbraw/zinc/27/79/73/168277973.db2.gz	IKHLVJLISFXSJF-UHFFFAOYSA-N	-1	3	234.303	1.946	1	0		BDAFHM
COc1cc2c(cc1[O-])N=C[C@H]1CCCN1C2=O	ZINC000006017785	175023471	/nfs/dbraw/zinc/02/34/71/175023471.db2.gz	LQDGLTOVYOUCRG-MRVPVSSYSA-N	-1	3	246.266	1.721	1	0	in-vitro	BDAFHM
C[C@H]1CCc2ccccc2[C@]12NC(=O)[N-]C2=O	ZINC000026486088	177210084	/nfs/dbraw/zinc/21/00/84/177210084.db2.gz	JWSJBOYHIMGMRF-ISVAXAHUSA-N	-1	3	230.267	1.304	1	0		BDAFHM
CCCCCCNCC(=O)CCC(=O)[O-]	ZINC000040834824	517553217	/nfs/dbraw/zinc/55/32/17/517553217.db2.gz	FRSRRMYKORSLPV-UHFFFAOYSA-N	-1	3	215.293	1.590	1	0		BDAFHM
COc1ccc2cc(-c3nnn[n-]3)cnc2c1	ZINC000169329555	175224158	/nfs/dbraw/zinc/22/41/58/175224158.db2.gz	MQMUCIUQSOLFHO-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
COc1ccc2cc(-c3nn[n-]n3)cnc2c1	ZINC000169329555	175224159	/nfs/dbraw/zinc/22/41/59/175224159.db2.gz	MQMUCIUQSOLFHO-UHFFFAOYSA-N	-1	3	227.227	1.424	1	0		BDAFHM
CC(C)C(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000100388901	574418451	/nfs/dbraw/zinc/41/84/51/574418451.db2.gz	XPKJFTFUSQQGGS-SSDOTTSWSA-N	-1	3	216.281	1.027	1	0	endogenous,in-vitro	BDAFHM
CCCCCCc1c(Cl)[nH]c(=O)[n-]c1=O	ZINC000014972731	187416588	/nfs/dbraw/zinc/41/65/88/187416588.db2.gz	KRFZZHACLHGMCH-UHFFFAOYSA-N	-1	3	230.695	1.839	1	0	in-vivo	BDAFHM
c1ncn2c1cccc2CCCCc1nnn[n-]1	ZINC000029412827	183336407	/nfs/dbraw/zinc/33/64/07/183336407.db2.gz	SKXJCZQOJWCMPK-UHFFFAOYSA-N	-1	3	242.286	1.413	1	0		BDAFHM
c1ncn2c1cccc2CCCCc1nn[n-]n1	ZINC000029412827	183336409	/nfs/dbraw/zinc/33/64/09/183336409.db2.gz	SKXJCZQOJWCMPK-UHFFFAOYSA-N	-1	3	242.286	1.413	1	0		BDAFHM
CCN1c2ccccc2Cc2c(=O)[n-]cnc21	ZINC000025970878	132333252	/nfs/dbraw/zinc/33/32/52/132333252.db2.gz	RYDGPYSUWDKTQN-UHFFFAOYSA-N	-1	3	227.267	1.832	1	0		BDAFHM
CCc1[n-]c(=O)nc2ccc(OC)c(OC)c21	ZINC000029215634	172001010	/nfs/dbraw/zinc/00/10/10/172001010.db2.gz	MAMULEXVYFXCEK-UHFFFAOYSA-N	-1	3	234.255	1.915	1	0		BDAFHM
COc1cc2c(c([O-])c1C)C(=O)CC[C@@H]2O	ZINC000013480574	175019957	/nfs/dbraw/zinc/01/99/57/175019957.db2.gz	ZDFOMFPCBOUZSD-QMMMGPOBSA-N	-1	3	222.240	1.719	1	0		BDAFHM
COc1ccc2c(c1)Nc1nc[n-]c(=O)c1C2	ZINC000008536357	175212804	/nfs/dbraw/zinc/21/28/04/175212804.db2.gz	QTDFLYWPHIGGCP-UHFFFAOYSA-N	-1	3	229.239	1.426	1	0		BDAFHM
COc1ccc2c(c1[O-])CO[C@H](C)C2=O	ZINC000095558119	175221965	/nfs/dbraw/zinc/22/19/65/175221965.db2.gz	JEIXQVSXGQIXPF-ZCFIWIBFSA-N	-1	3	208.213	1.502	1	0		BDAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000100388826	574418410	/nfs/dbraw/zinc/41/84/10/574418410.db2.gz	QRRRFSIKXPSBKO-YUMQZZPRSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000100387229	574417882	/nfs/dbraw/zinc/41/78/82/574417882.db2.gz	ZYMHWGMFVVVWCL-SFYZADRCSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
Cc1nn(-c2ccccc2F)cc1-c1nnn[n-]1	ZINC000096938406	180331377	/nfs/dbraw/zinc/33/13/77/180331377.db2.gz	REKCKNFNVKNRBE-UHFFFAOYSA-N	-1	3	244.233	1.500	1	0		BDAFHM
O=C([O-])[C@H]1NCc2nc[nH]c2[C@H]1c1ccccc1	ZINC000013831348	188106316	/nfs/dbraw/zinc/10/63/16/188106316.db2.gz	DRTXKNCPMBPOMZ-PWSUYJOCSA-N	-1	3	243.266	1.098	1	0		BDAFHM
O=C([O-])[C@H]1NCc2[nH]cnc2[C@H]1c1ccccc1	ZINC000013831348	188106318	/nfs/dbraw/zinc/10/63/18/188106318.db2.gz	DRTXKNCPMBPOMZ-PWSUYJOCSA-N	-1	3	243.266	1.098	1	0		BDAFHM
Cc1[n-]c(=O)nc2ccc(N3CCOCC3)cc12	ZINC000029212740	132334224	/nfs/dbraw/zinc/33/42/24/132334224.db2.gz	RMZMDMNVCPNEKW-UHFFFAOYSA-N	-1	3	245.282	1.068	1	0		BDAFHM
COc1ccc(Cl)cc1[C@H]1NC(=O)[N-]C1=O	ZINC000028227975	175123354	/nfs/dbraw/zinc/12/33/54/175123354.db2.gz	OCWYMCUTPQGMIJ-MRVPVSSYSA-N	-1	3	240.646	1.229	1	0		BDAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)CC(C)C)C(=O)[O-]	ZINC000069487330	574416052	/nfs/dbraw/zinc/41/60/52/574416052.db2.gz	YMUUTOVKCFURHD-IUCAKERBSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CCOC(=O)[C@]12CC1=C([O-])c1ccccc1O2	ZINC000027865152	170286423	/nfs/dbraw/zinc/28/64/23/170286423.db2.gz	UDMONXOOWZPMPS-ZANVPECISA-N	-1	3	232.235	1.584	1	0		BDAFHM
COc1cc([O-])cc2c(CO)c(C)oc21	ZINC000095591479	175005862	/nfs/dbraw/zinc/00/58/62/175005862.db2.gz	IEYANICRPUUNJI-UHFFFAOYSA-N	-1	3	208.213	1.948	1	0		BDAFHM
COc1ccc2c(c1)Cc1c(=O)[n-]cnc1N2	ZINC000025970119	175211556	/nfs/dbraw/zinc/21/15/56/175211556.db2.gz	IBPATLMMISTHOM-UHFFFAOYSA-N	-1	3	229.239	1.426	1	0		BDAFHM
C[C@H]1CCc2ccccc2[C@@]12NC(=O)[N-]C2=O	ZINC000026486075	177210010	/nfs/dbraw/zinc/21/00/10/177210010.db2.gz	JWSJBOYHIMGMRF-SDBXPKJASA-N	-1	3	230.267	1.304	1	0		BDAFHM
O=c1[n-]c(=O)c2c([nH]1)C[C@@H](c1ccccc1)S2	ZINC000005537240	188102616	/nfs/dbraw/zinc/10/26/16/188102616.db2.gz	BTLHGUFEUSTGAN-VIFPVBQESA-N	-1	3	246.291	1.453	1	0		BDAFHM
NC(=O)N([O-])[C@H]1CCn2c1cc1ccccc12	ZINC000000016418	181249765	/nfs/dbraw/zinc/24/97/65/181249765.db2.gz	AXZRMFZAEOCMRX-JTQLQIEISA-N	-1	3	231.255	1.856	1	0		BDAFHM
COc1cc2c(c([O-])c1C)C(=O)CC[C@H]2O	ZINC000013480575	175019993	/nfs/dbraw/zinc/01/99/93/175019993.db2.gz	ZDFOMFPCBOUZSD-MRVPVSSYSA-N	-1	3	222.240	1.719	1	0		BDAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000100387222	574417874	/nfs/dbraw/zinc/41/78/74/574417874.db2.gz	ZYMHWGMFVVVWCL-HTQZYQBOSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
Cc1nn(-c2ccc(F)cc2)cc1-c1nnn[n-]1	ZINC000096938407	180327977	/nfs/dbraw/zinc/32/79/77/180327977.db2.gz	WMLQTOXBNXSJHG-UHFFFAOYSA-N	-1	3	244.233	1.500	1	0		BDAFHM
O=C(Cn1cnnc1)c1ccc(Cl)cc1[O-]	ZINC000029129674	182072492	/nfs/dbraw/zinc/07/24/92/182072492.db2.gz	ZEZAYTREVTXLGT-UHFFFAOYSA-N	-1	3	237.646	1.520	1	0		BDAFHM
Cc1cccc(N2C[C@@H](C)N([O-])C(=O)N2)c1	ZINC000013759130	132322269	/nfs/dbraw/zinc/32/22/69/132322269.db2.gz	DIDUJYFBKOWCHQ-SECBINFHSA-N	-1	3	221.260	1.519	1	0		BDAFHM
COc1ccc2c(c1)CCC[C@@H]2N([O-])C(N)=O	ZINC000013760607	175207973	/nfs/dbraw/zinc/20/79/73/175207973.db2.gz	XFGMKVYBHUHNEI-NSHDSACASA-N	-1	3	236.271	1.843	1	0		BDAFHM
C[C@@H]1CCc2ccccc2[C@@]12NC(=O)[N-]C2=O	ZINC000026486068	176240466	/nfs/dbraw/zinc/24/04/66/176240466.db2.gz	JWSJBOYHIMGMRF-OQPBUACISA-N	-1	3	230.267	1.304	1	0		BDAFHM
C[C@@H](O)Cc1cc(=O)c2c([O-])cccc2o1	ZINC000014455534	560221823	/nfs/dbraw/zinc/22/18/23/560221823.db2.gz	BEBIIRLVYJMQOS-SSDOTTSWSA-N	-1	3	220.224	1.422	1	0	biogenic,in-vitro	BDAFHM
C[C@@H](O)Cc1cc([O-])c2c(=O)cccc-2o1	ZINC000014455534	560221825	/nfs/dbraw/zinc/22/18/25/560221825.db2.gz	BEBIIRLVYJMQOS-SSDOTTSWSA-N	-1	3	220.224	1.422	1	0	biogenic,in-vitro	BDAFHM
CC[C@H](C)[C@H](N)C(=O)NC(CC(C)C)C(=O)[O-]	ZINC000100387100	574417848	/nfs/dbraw/zinc/41/78/48/574417848.db2.gz	ISALBZUWTGDYEQ-WPRPVWTQSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000100387225	574417888	/nfs/dbraw/zinc/41/78/88/574417888.db2.gz	ZYMHWGMFVVVWCL-JGVFFNPUSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
O=C1c2c(nc3ccccc3c2[O-])-c2cccn21	ZINC000014684863	182842809	/nfs/dbraw/zinc/84/28/09/182842809.db2.gz	QFTHRUCJNWMSRD-UHFFFAOYSA-N	-1	3	236.230	1.999	1	0		BDAFHM
CN1CC[C@@H]2Nc3ccc(CC(=O)[O-])cc3[C@@H]2C1	ZINC000040915588	173133576	/nfs/dbraw/zinc/13/35/76/173133576.db2.gz	ZFVURADTQOCIKU-AAEUAGOBSA-N	-1	3	246.310	1.527	1	0		BDAFHM
C[C@@H](c1cc2cccnc2o1)N([O-])C(N)=O	ZINC000029224312	176013685	/nfs/dbraw/zinc/01/36/85/176013685.db2.gz	QMIQZDALKVGBCZ-LURJTMIESA-N	-1	3	221.216	1.659	1	0		BDAFHM
COc1cc([O-])c2c(cc3c(c2O)C(=O)OC3)c1	ZINC000014712225	188254530	/nfs/dbraw/zinc/25/45/30/188254530.db2.gz	HOHPIALGJUPOAZ-UHFFFAOYSA-N	-1	3	246.218	1.930	1	0		BDAFHM
O=C(Cn1cncn1)c1ccc(Cl)cc1[O-]	ZINC000096900832	182072233	/nfs/dbraw/zinc/07/22/33/182072233.db2.gz	RXASFYXYTIHDDH-UHFFFAOYSA-N	-1	3	237.646	1.520	1	0		BDAFHM
CC[C@H](C)[C@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487223	574416032	/nfs/dbraw/zinc/41/60/32/574416032.db2.gz	BPKBPSVIQZURTE-CBAPKCEASA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
CSCCC(NC(=O)[C@H](N)C(C)C)C(=O)[O-]	ZINC000100388845	574418433	/nfs/dbraw/zinc/41/84/33/574418433.db2.gz	ZMGJEYOGXQQQKG-MRVPVSSYSA-N	-1	3	248.348	1.124	1	0	endogenous,in-vitro	BDAFHM
Cc1cccc(CCNc2cc(=O)[n-]c(=O)[nH]2)c1	ZINC000169343221	179060411	/nfs/dbraw/zinc/06/04/11/179060411.db2.gz	PWXVTPAKGYLPKX-UHFFFAOYSA-N	-1	3	245.282	1.026	1	0		BDAFHM
NC(=O)N([O-])[C@@H]1CCn2c1cc1ccccc12	ZINC000003780200	181249798	/nfs/dbraw/zinc/24/97/98/181249798.db2.gz	AXZRMFZAEOCMRX-SNVBAGLBSA-N	-1	3	231.255	1.856	1	0		BDAFHM
CCOC(=O)C[C@@H]1CC(c2ccc([O-])cc2)=NO1	ZINC000040565178	170231694	/nfs/dbraw/zinc/23/16/94/170231694.db2.gz	RTWSFUQCGPKTFP-NSHDSACASA-N	-1	3	249.266	1.838	1	0		BDAFHM
COc1cc2c(cc1[O-])CO[C@H](C)C2=O	ZINC000095562261	175023922	/nfs/dbraw/zinc/02/39/22/175023922.db2.gz	XJUAOBWJQWBVMO-ZCFIWIBFSA-N	-1	3	208.213	1.502	1	0		BDAFHM
CC(C)CC(NC(=O)[C@@H](N)CC(C)C)C(=O)[O-]	ZINC000069487346	574416066	/nfs/dbraw/zinc/41/60/66/574416066.db2.gz	HPRJUQBULWKPKP-VIFPVBQESA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
COc1cc2c(cc1[O-])N=C[C@@H]1CCCN1C2=O	ZINC000006017782	175023724	/nfs/dbraw/zinc/02/37/24/175023724.db2.gz	LQDGLTOVYOUCRG-QMMMGPOBSA-N	-1	3	246.266	1.721	1	0	in-vitro	BDAFHM
COc1ccc(-n2cc3nc[n-]c(=O)c3n2)cc1	ZINC000045321481	175043916	/nfs/dbraw/zinc/04/39/16/175043916.db2.gz	GRMLZRHWTXSOLS-UHFFFAOYSA-N	-1	3	242.238	1.530	1	0		BDAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)[C@H](C)CC)C(=O)[O-]	ZINC000100387077	574417781	/nfs/dbraw/zinc/41/77/81/574417781.db2.gz	OHXHHJOSJWGMNF-HLTSFMKQSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC[C@H](C)C(NC(=O)[C@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000100387073	574417816	/nfs/dbraw/zinc/41/78/16/574417816.db2.gz	OHXHHJOSJWGMNF-XHNCKOQMSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(CC(C)C)C(=O)[O-]	ZINC000100387092	574417852	/nfs/dbraw/zinc/41/78/52/574417852.db2.gz	ISALBZUWTGDYEQ-PSASIEDQSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
C[C@@H]1CN(c2cccc(Cl)c2)NC(=O)N1[O-]	ZINC000013759127	132322372	/nfs/dbraw/zinc/32/23/72/132322372.db2.gz	VMARBRMWTHNTOV-SSDOTTSWSA-N	-1	3	241.678	1.864	1	0		BDAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)CC	ZINC000100387079	574417794	/nfs/dbraw/zinc/41/77/94/574417794.db2.gz	OHXHHJOSJWGMNF-VGMNWLOBSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
COc1ccc2c(c1)oc1n[n-]nc1c2=O	ZINC000101264118	175205506	/nfs/dbraw/zinc/20/55/06/175205506.db2.gz	YIMGPLJFMOWQGY-UHFFFAOYSA-N	-1	3	217.184	1.437	1	0		BDAFHM
COc1cccc2oc3n[n-]nc3c(=O)c12	ZINC000026570872	175308316	/nfs/dbraw/zinc/30/83/16/175308316.db2.gz	CSDKVKILLLBARX-UHFFFAOYSA-N	-1	3	217.184	1.437	1	0		BDAFHM
Cc1c(=O)[nH][n-]c1-c1ccc(-n2ccnc2)cc1	ZINC000100698270	176047480	/nfs/dbraw/zinc/04/74/80/176047480.db2.gz	CUUNRMYFRFXWPI-VIFPVBQESA-N	-1	3	240.266	1.342	1	0		BDAFHM
CC(C)C(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000100388902	574418445	/nfs/dbraw/zinc/41/84/45/574418445.db2.gz	XPKJFTFUSQQGGS-ZETCQYMHSA-N	-1	3	216.281	1.027	1	0	endogenous,in-vitro	BDAFHM
CC(=O)Cc1cc(=O)c2c([O-])cc(C)cc2o1	ZINC000014490939	188270015	/nfs/dbraw/zinc/27/00/15/188270015.db2.gz	BLKGRMLONREVIT-UHFFFAOYSA-N	-1	3	232.235	1.939	1	0		BDAFHM
CC(=O)Cc1cc([O-])c2c(=O)cc(C)cc-2o1	ZINC000014490939	188270017	/nfs/dbraw/zinc/27/00/17/188270017.db2.gz	BLKGRMLONREVIT-UHFFFAOYSA-N	-1	3	232.235	1.939	1	0		BDAFHM
O=c1nc(-c2ccc(Cl)cc2)sc(=O)[n-]1	ZINC000003612459	183008441	/nfs/dbraw/zinc/00/84/41/183008441.db2.gz	NNDRJWMWXOELRQ-UHFFFAOYSA-N	-1	3	240.671	1.512	1	0		BDAFHM
O=c1[n-]cnc2nc3c(nc12)[C@@H]1CCCC[C@@H]31	ZINC000028346921	183308994	/nfs/dbraw/zinc/30/89/94/183308994.db2.gz	NYMVCYHLNSJSBM-RNFRBKRXSA-N	-1	3	228.255	1.880	1	0		BDAFHM
CCOC(=O)[C@@]12CC1=C([O-])c1ccccc1O2	ZINC000027865145	170263522	/nfs/dbraw/zinc/26/35/22/170263522.db2.gz	UDMONXOOWZPMPS-NOZJJQNGSA-N	-1	3	232.235	1.584	1	0		BDAFHM
COc1cc2oc(C)cc(=O)c2c([O-])c1CO	ZINC000013328008	175029184	/nfs/dbraw/zinc/02/91/84/175029184.db2.gz	NDYIQSCPWYVZEJ-UHFFFAOYSA-N	-1	3	236.223	1.308	3	0		BDAFHM
COc1cc2oc(C)cc([O-])c-2c(=O)c1CO	ZINC000013328008	175029185	/nfs/dbraw/zinc/02/91/85/175029185.db2.gz	NDYIQSCPWYVZEJ-UHFFFAOYSA-N	-1	3	236.223	1.308	3	0		BDAFHM
C[C@@H]1CCc2ccccc2[C@]12NC(=O)[N-]C2=O	ZINC000026486082	176239869	/nfs/dbraw/zinc/23/98/69/176239869.db2.gz	JWSJBOYHIMGMRF-AMIZOPFISA-N	-1	3	230.267	1.304	1	0		BDAFHM
C[C@H]1CN(c2cccc(Cl)c2)NC(=O)N1[O-]	ZINC000013759129	132322377	/nfs/dbraw/zinc/32/23/77/132322377.db2.gz	VMARBRMWTHNTOV-ZETCQYMHSA-N	-1	3	241.678	1.864	1	0		BDAFHM
CCc1nc2cn(-c3ccccc3)nc2c(=O)[n-]1	ZINC000045321478	172014058	/nfs/dbraw/zinc/01/40/58/172014058.db2.gz	VENUWBMCARDXRR-UHFFFAOYSA-N	-1	3	240.266	1.671	1	0		BDAFHM
COc1ccc2oc3n[n-]nc3c(=O)c2c1	ZINC000026570127	175232420	/nfs/dbraw/zinc/23/24/20/175232420.db2.gz	MZICZJQNVNYJKE-UHFFFAOYSA-N	-1	3	217.184	1.437	1	0		BDAFHM
CC[C@H](C)[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487218	574416022	/nfs/dbraw/zinc/41/60/22/574416022.db2.gz	BPKBPSVIQZURTE-IONNQARKSA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)[C@H](C)CC)C(=O)[O-]	ZINC000100387064	574417810	/nfs/dbraw/zinc/41/78/10/574417810.db2.gz	OHXHHJOSJWGMNF-IWSPIJDZSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
Cc1nn(-c2cccc(F)c2)cc1-c1nnn[n-]1	ZINC000096938408	180328745	/nfs/dbraw/zinc/32/87/45/180328745.db2.gz	HEQRWHSZLZHAAH-UHFFFAOYSA-N	-1	3	244.233	1.500	1	0		BDAFHM
COc1cc(=O)oc2c(OC)c([O-])cc(C)c12	ZINC000014814590	188270327	/nfs/dbraw/zinc/27/03/27/188270327.db2.gz	ZSTVBYDGILIBAM-UHFFFAOYSA-N	-1	3	236.223	1.824	1	0	biogenic,in-vitro	BDAFHM
CCOC(=O)c1ccc(C(=O)n2ccnc2)[n-]1	ZINC000001654366	170295492	/nfs/dbraw/zinc/29/54/92/170295492.db2.gz	SRFZPIXMFUEFFG-UHFFFAOYSA-N	-1	3	233.227	1.076	1	0		BDAFHM
COc1ccc2c(=O)c3n[n-]nc3oc2c1C	ZINC000101260539	175205382	/nfs/dbraw/zinc/20/53/82/175205382.db2.gz	JAAOAAOXXSWVTG-UHFFFAOYSA-N	-1	3	231.211	1.745	1	0		BDAFHM
O=C1[N-]C(=O)[C@H](Cc2ccc3ccccc3c2)N1	ZINC000005777875	560203141	/nfs/dbraw/zinc/20/31/41/560203141.db2.gz	CHRJCAZBQNADBP-LBPRGKRZSA-N	-1	3	240.262	1.590	1	0	in-vitro	BDAFHM
Oc1ccc(-c2nnn[n-]2)c2cccnc12	ZINC000036381407	183265906	/nfs/dbraw/zinc/26/59/06/183265906.db2.gz	COSOIVLLWHGBPW-UHFFFAOYSA-N	-1	3	213.200	1.121	1	0		BDAFHM
CCOC(=O)C[C@H]1CC(c2ccc([O-])cc2)=NO1	ZINC000040565180	170233547	/nfs/dbraw/zinc/23/35/47/170233547.db2.gz	RTWSFUQCGPKTFP-LLVKDONJSA-N	-1	3	249.266	1.838	1	0		BDAFHM
COc1cc(Cl)cc([O-])c(=O)c1OC	ZINC000006403468	174990310	/nfs/dbraw/zinc/99/03/10/174990310.db2.gz	AYKRMZIQYCEBJN-UHFFFAOYSA-N	-1	3	216.620	1.423	1	0		BDAFHM
COc1cc2cccc(O)c(=O)c2c([O-])c1OC	ZINC000000340400	175027549	/nfs/dbraw/zinc/02/75/49/175027549.db2.gz	FBRSVBNJMPCMSC-UHFFFAOYSA-N	-1	3	248.234	1.628	1	0		BDAFHM
COc1cc2cccc(O)c([O-])c-2c(=O)c1OC	ZINC000000340400	175027550	/nfs/dbraw/zinc/02/75/50/175027550.db2.gz	FBRSVBNJMPCMSC-UHFFFAOYSA-N	-1	3	248.234	1.628	1	0		BDAFHM
C[C@H](O)[C@@H](O)C[C@@H]1OCc2c1cccc2[O-]	ZINC000058528238	177007158	/nfs/dbraw/zinc/00/71/58/177007158.db2.gz	VWNBIHJYLBWFKS-QILRFPOHSA-N	-1	3	224.256	1.095	1	0		BDAFHM
C[C@H](O)[C@H](O)C[C@@H]1OCc2c1cccc2[O-]	ZINC000169368890	177013860	/nfs/dbraw/zinc/01/38/60/177013860.db2.gz	VWNBIHJYLBWFKS-BPTDKIDVSA-N	-1	3	224.256	1.095	1	0		BDAFHM
C[C@H](c1cc2cccnc2o1)N([O-])C(N)=O	ZINC000029224307	177031554	/nfs/dbraw/zinc/03/15/54/177031554.db2.gz	QMIQZDALKVGBCZ-ZCFIWIBFSA-N	-1	3	221.216	1.659	1	0		BDAFHM
CC(C)C[C@@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000069487387	574416050	/nfs/dbraw/zinc/41/60/50/574416050.db2.gz	NITGHXGGZHSYQA-MRVPVSSYSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
COc1ccc(OC)c2c(=O)c(O)c[n-]c12	ZINC000005853750	175170013	/nfs/dbraw/zinc/17/00/13/175170013.db2.gz	IOCGLBRYFXBXKQ-UHFFFAOYSA-N	-1	3	221.212	1.251	1	0		BDAFHM
Cc1c(=O)[nH][n-]c1-c1ccc(-n2ccnc2)cc1	ZINC000100698268	177060510	/nfs/dbraw/zinc/06/05/10/177060510.db2.gz	CUUNRMYFRFXWPI-SECBINFHSA-N	-1	3	240.266	1.342	1	0		BDAFHM
O=C1[N-]C(=O)[C@@H](Cc2ccc3ccccc3c2)N1	ZINC000005777871	560203178	/nfs/dbraw/zinc/20/31/78/560203178.db2.gz	CHRJCAZBQNADBP-GFCCVEGCSA-N	-1	3	240.262	1.590	1	0	in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000100387084	574417846	/nfs/dbraw/zinc/41/78/46/574417846.db2.gz	OHXHHJOSJWGMNF-YIZRAAEISA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
N=C(N)Nc1nnc(-c2ccccc2[O-])s1	ZINC000028013162	181190751	/nfs/dbraw/zinc/19/07/51/181190751.db2.gz	MUTRRJULFLVJIN-UHFFFAOYSA-N	-1	3	235.272	1.216	1	0		BDAFHM
CC[C@H](C)C(NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)[O-]	ZINC000100387086	574417830	/nfs/dbraw/zinc/41/78/30/574417830.db2.gz	OHXHHJOSJWGMNF-CIUDSAMLSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC[C@H](C)[C@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000100387231	574417906	/nfs/dbraw/zinc/41/79/06/574417906.db2.gz	ZYMHWGMFVVVWCL-YUMQZZPRSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
Cc1cc2c(s1)N=C1[N-]C(=O)[C@@H](C)N1C2	ZINC000027208097	178292649	/nfs/dbraw/zinc/29/26/49/178292649.db2.gz	RVWZJSXOSGIMJZ-ZCFIWIBFSA-N	-1	3	221.285	1.378	1	0		BDAFHM
CCOC(=O)[C@H]1C([O-])=CC(=O)[C@H]2CCCC[C@H]12	ZINC000102955179	170278643	/nfs/dbraw/zinc/27/86/43/170278643.db2.gz	MPDGNQLGWZNXNN-HOTUBEGUSA-N	-1	3	238.283	1.514	1	0		BDAFHM
CC[C@@H](C)[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487216	574416026	/nfs/dbraw/zinc/41/60/26/574416026.db2.gz	BPKBPSVIQZURTE-VXNVDRBHSA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
O=c1[n-]cnc2nc3c(nc12)[C@H]1CCCC[C@@H]31	ZINC000028346908	183308989	/nfs/dbraw/zinc/30/89/89/183308989.db2.gz	NYMVCYHLNSJSBM-NKWVEPMBSA-N	-1	3	228.255	1.880	1	0		BDAFHM
Cc1cccc(N2C[C@H](C)N([O-])C(=O)N2)c1	ZINC000013759131	132322264	/nfs/dbraw/zinc/32/22/64/132322264.db2.gz	DIDUJYFBKOWCHQ-VIFPVBQESA-N	-1	3	221.260	1.519	1	0		BDAFHM
CCOC(=O)[C@H]1C([O-])=CC(=O)[C@H]2CCCC[C@@H]12	ZINC000102955175	170279112	/nfs/dbraw/zinc/27/91/12/170279112.db2.gz	MPDGNQLGWZNXNN-YGOYTEALSA-N	-1	3	238.283	1.514	1	0		BDAFHM
COc1ccc(Cl)cc1[C@@H]1NC(=O)[N-]C1=O	ZINC000028227972	175122377	/nfs/dbraw/zinc/12/23/77/175122377.db2.gz	OCWYMCUTPQGMIJ-QMMMGPOBSA-N	-1	3	240.646	1.229	1	0		BDAFHM
CC(C)C[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487358	574416062	/nfs/dbraw/zinc/41/60/62/574416062.db2.gz	UDUJIVOIWBSQAG-MRVPVSSYSA-N	-1	3	228.292	1.267	1	0	endogenous,in-vitro	BDAFHM
S=C1[N-]c2ccccc2[C@]12CCNC2=S	ZINC000012509681	183312271	/nfs/dbraw/zinc/31/22/71/183312271.db2.gz	OIDCZOCVOJNTRE-NSHDSACASA-N	-1	3	234.349	1.998	3	0		BDAFHM
COc1cc(=O)c2c([O-])cc(C)oc-2c1OC	ZINC000014814608	560226530	/nfs/dbraw/zinc/22/65/30/560226530.db2.gz	ORWCVNGFNATXCY-UHFFFAOYSA-N	-1	3	236.223	1.824	1	0	biogenic,in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)CC(C)C)C(=O)[O-]	ZINC000069487326	574416078	/nfs/dbraw/zinc/41/60/78/574416078.db2.gz	YMUUTOVKCFURHD-BDAKNGLRSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
COc1ccc2sc3n[n-]nc3c(=O)c2c1	ZINC000100822819	175232325	/nfs/dbraw/zinc/23/23/25/175232325.db2.gz	PEGVYVVCWJIKFE-UHFFFAOYSA-N	-1	3	233.252	1.905	1	0		BDAFHM
CC[C@@H](C)C(NC(=O)[C@H](N)CC(C)C)C(=O)[O-]	ZINC000069487320	574416015	/nfs/dbraw/zinc/41/60/15/574416015.db2.gz	YMUUTOVKCFURHD-RKDXNWHRSA-N	-1	3	244.335	1.807	1	0	endogenous,in-vitro	BDAFHM
CC(C)C[C@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000069487392	574416076	/nfs/dbraw/zinc/41/60/76/574416076.db2.gz	NITGHXGGZHSYQA-QMMMGPOBSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM
CSCC[C@@H](N)C(=O)NC(C(=O)[O-])C(C)C	ZINC000069487612	574416094	/nfs/dbraw/zinc/41/60/94/574416094.db2.gz	IHWFNNWCTUTQIZ-SSDOTTSWSA-N	-1	3	248.348	1.124	1	0	endogenous,in-vitro	BDAFHM
CC[C@@H](C)C(NC(=O)[C@@H](N)C(C)C)C(=O)[O-]	ZINC000100388824	574418408	/nfs/dbraw/zinc/41/84/08/574418408.db2.gz	QRRRFSIKXPSBKO-SFYZADRCSA-N	-1	3	230.308	1.417	1	0	endogenous,in-vitro	BDAFHM