smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)NCCn1[n-]c(=O)ccc1=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000071759486	191025701	/nfs/dbraw/zinc/02/57/01/191025701.db2.gz	YUUMTSKKHZPCNU-TUAOUCFPSA-N	-1	0	324.381	-0.437	50	0		DBAARM
CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000002503716	180928541	/nfs/dbraw/zinc/92/85/41/180928541.db2.gz	FAHUCQPCECQZOD-SNVBAGLBSA-N	-1	0	321.376	-0.147	50	0		DBAARM
COc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1	ZINC000003310468	181002931	/nfs/dbraw/zinc/00/29/31/181002931.db2.gz	WRHJLQNUJNCDLD-SNVBAGLBSA-N	-1	0	316.335	-0.308	50	0		DBAARM
NS(=O)(=O)c1ccc(NC(=O)C[S@@](=O)CC(=O)[O-])cc1	ZINC000005715363	181276551	/nfs/dbraw/zinc/27/65/51/181276551.db2.gz	CDPCAGDLTYBLMC-IBGZPJMESA-N	-1	0	320.348	-0.894	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000237647761	202316811	/nfs/dbraw/zinc/31/68/11/202316811.db2.gz	IOZFAWCWJKQVEM-CQSZACIVSA-N	-1	0	304.306	-0.181	50	0		DBAARM
O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)CCc1cn[nH]c1)CC2	ZINC000091390874	193048433	/nfs/dbraw/zinc/04/84/33/193048433.db2.gz	JAUWBIBQWBKQPW-NSHDSACASA-N	-1	0	320.349	-0.076	50	0		DBAARM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)CNC1=O	ZINC000299744697	304146886	/nfs/dbraw/zinc/14/68/86/304146886.db2.gz	UHCOJCCDJWHZJC-UTLUCORTSA-N	-1	0	309.322	-0.218	50	0		DBAARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C	ZINC000020301918	182204422	/nfs/dbraw/zinc/20/44/22/182204422.db2.gz	NQUGTHZFNYYWFN-JTQLQIEISA-N	-1	0	300.336	-0.090	50	0		DBAARM
CCn1cc(NC(=O)Cn2ccc(C(=O)[O-])n2)c(C(N)=O)n1	ZINC000020614803	182239132	/nfs/dbraw/zinc/23/91/32/182239132.db2.gz	VNFXEBBICOJAFI-UHFFFAOYSA-N	-1	0	306.282	-0.465	50	0		DBAARM
O=C([O-])[C@@H]1O[C@H](Oc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@H]1O	ZINC000002569718	374254723	/nfs/dbraw/zinc/25/47/23/374254723.db2.gz	KUYNOZVWCFXSNE-DIACKHNESA-N	-1	0	309.274	-0.561	50	0		DBAARM
O=C([O-])CCN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000035125650	374257749	/nfs/dbraw/zinc/25/77/49/374257749.db2.gz	VOOIMZVVKNAUTL-SNVBAGLBSA-N	-1	0	304.368	-0.960	50	0		DBAARM
CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1	ZINC000021500733	182274819	/nfs/dbraw/zinc/27/48/19/182274819.db2.gz	QVGGIKOTVXGKEZ-SNVBAGLBSA-N	-1	0	314.319	-0.504	50	0		DBAARM
O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1	ZINC000009428906	374301558	/nfs/dbraw/zinc/30/15/58/374301558.db2.gz	NDDABTAVUZYSSP-SECBINFHSA-N	-1	0	319.360	-0.150	50	0		DBAARM
Cn1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)cn1	ZINC000072275691	374414392	/nfs/dbraw/zinc/41/43/92/374414392.db2.gz	MSDZUFIYAQFIAR-GXTWGEPZSA-N	-1	0	322.365	-0.274	50	0		DBAARM
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299743023	374466146	/nfs/dbraw/zinc/46/61/46/374466146.db2.gz	LPIGGZVOKFGJOX-LPEHRKFASA-N	-1	0	306.384	-0.117	50	0		DBAARM
O=C([O-])CNc1nc(N2CCCCC2)nc(NCC(=O)[O-])[nH+]1	ZINC000000053282	374731283	/nfs/dbraw/zinc/73/12/83/374731283.db2.gz	YCTUVITVEWYIAR-UHFFFAOYSA-N	-1	0	310.314	-0.145	50	0		DBAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC2(CC1)OCCC[C@H]2O	ZINC000092028220	374802278	/nfs/dbraw/zinc/80/22/78/374802278.db2.gz	BQEDQOZAXAMRAW-LLVKDONJSA-N	-1	0	323.349	-0.862	50	0		DBAARM
O=C([O-])Cn1nc(C2CCOCC2)nc1C[C@@H]1NC(=O)NC1=O	ZINC000097136848	374864541	/nfs/dbraw/zinc/86/45/41/374864541.db2.gz	NPEDEZCFXBFHHI-QMMMGPOBSA-N	-1	0	323.309	-0.993	50	0		DBAARM
C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000000534405	375521673	/nfs/dbraw/zinc/52/16/73/375521673.db2.gz	DYHXAUIGBHUCKI-ZETCQYMHSA-N	-1	0	301.324	-0.394	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1	ZINC000062913524	375980192	/nfs/dbraw/zinc/98/01/92/375980192.db2.gz	DCZDTUDCDWVTAX-BXKDBHETSA-N	-1	0	304.368	-0.266	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1	ZINC000219888579	376634141	/nfs/dbraw/zinc/63/41/41/376634141.db2.gz	MTSDOHJZCBHYOV-VXGBXAGGSA-N	-1	0	309.322	-0.216	50	0		DBAARM
Cc1nn(CCCNC(=O)Cc2cc(=O)[nH][n-]c2=O)c(C)c1C	ZINC000220283086	376645573	/nfs/dbraw/zinc/64/55/73/376645573.db2.gz	VBHXYUJKNDTIPT-UHFFFAOYSA-N	-1	0	319.365	-0.066	50	0		DBAARM
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000223321204	376722615	/nfs/dbraw/zinc/72/26/15/376722615.db2.gz	ZKCFLZAQCABYLQ-SSDOTTSWSA-N	-1	0	305.338	-0.085	50	0		DBAARM
O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CC(=O)NC2=O)cc1	ZINC000223229146	376723443	/nfs/dbraw/zinc/72/34/43/376723443.db2.gz	JYELGPXIUKGYKG-VXGBXAGGSA-N	-1	0	319.317	-0.378	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1nc2cccnc2[nH]1	ZINC000223426892	376725081	/nfs/dbraw/zinc/72/50/81/376725081.db2.gz	SVZDKOYBMJISKH-PSASIEDQSA-N	-1	0	320.305	-0.054	50	0		DBAARM
CCn1cc(S(=O)(=O)NC[C@H]2COCCO2)cc1C(=O)[O-]	ZINC000038061245	376734801	/nfs/dbraw/zinc/73/48/01/376734801.db2.gz	KRWHDHLDEMGMMH-VIFPVBQESA-N	-1	0	318.351	-0.100	50	0		DBAARM
O=C([O-])C1(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1	ZINC000262259096	376793994	/nfs/dbraw/zinc/79/39/94/376793994.db2.gz	FYLAOSIOJNHZKZ-UHFFFAOYSA-N	-1	0	316.379	-0.076	50	0		DBAARM
Cn1c(=O)[nH]c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc21	ZINC000262743118	377279810	/nfs/dbraw/zinc/27/98/10/377279810.db2.gz	HDQUZEDDFAXTLG-LLVKDONJSA-N	-1	0	305.290	-0.208	50	0		DBAARM
C[C@@H](O)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039945455	183022817	/nfs/dbraw/zinc/02/28/17/183022817.db2.gz	BCQCTWKKNHXURW-SKDRFNHKSA-N	-1	0	310.306	-0.137	50	0		DBAARM
C[C@@H]1O[C@H](Nc2ccc(S(=O)(=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	ZINC000252618415	381407268	/nfs/dbraw/zinc/40/72/68/381407268.db2.gz	LGBGTJJKIZVFJP-XQFKGYICSA-N	-1	0	319.335	-0.827	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N(CC(=O)[O-])C2CC2)C1	ZINC000037588866	381439833	/nfs/dbraw/zinc/43/98/33/381439833.db2.gz	AOPHNKYZGGISMZ-VIFPVBQESA-N	-1	0	304.368	-0.266	50	0		DBAARM
COc1cc(C)nc(N2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)n1	ZINC000069660437	382686955	/nfs/dbraw/zinc/68/69/55/382686955.db2.gz	AZOGYVGGBNAZRG-UHFFFAOYSA-N	-1	0	319.325	-0.833	50	0		DBAARM
C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O	ZINC000269085129	256624871	/nfs/dbraw/zinc/62/48/71/256624871.db2.gz	LWKCLJHZCJGMHD-YMTOWFKASA-N	-1	0	309.322	-0.218	50	0		DBAARM
COC(=O)c1cn([C@H](CC(N)=O)C(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524731344	257214074	/nfs/dbraw/zinc/21/40/74/257214074.db2.gz	UDVYODXMTVVRCE-SSDOTTSWSA-N	-1	0	308.250	-0.624	50	0	biogenic	DBAARM
CN(CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)S(C)(=O)=O	ZINC000585138164	392881219	/nfs/dbraw/zinc/88/12/19/392881219.db2.gz	SJMDECYEZGWQHU-UHFFFAOYSA-N	-1	0	302.308	-0.080	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O	ZINC000101763779	393411206	/nfs/dbraw/zinc/41/12/06/393411206.db2.gz	DZUKJFABEKUOAE-SECBINFHSA-N	-1	0	302.290	-0.077	50	0		DBAARM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC000263366386	393597896	/nfs/dbraw/zinc/59/78/96/393597896.db2.gz	UACXOCCOJNPPDD-IUCAKERBSA-N	-1	0	311.338	-0.114	50	0		DBAARM
Cc1nn2c([n-]1)nc(CN1CCN3C(=O)OC[C@H]3C1)cc2=O	ZINC000670441792	544703008	/nfs/dbraw/zinc/70/30/08/544703008.db2.gz	COVUFNKBEVZHKR-SNVBAGLBSA-N	-1	0	304.310	-0.225	50	0		DBAARM
O=C([O-])[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1	ZINC000299742196	229378852	/nfs/dbraw/zinc/37/88/52/229378852.db2.gz	IPNASCRQHVUMAW-SECBINFHSA-N	-1	0	302.290	-0.275	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccccn2)CCO1	ZINC000681941394	544988701	/nfs/dbraw/zinc/98/87/01/544988701.db2.gz	MTUMROLNTLCGHB-GFCCVEGCSA-N	-1	0	321.333	-0.144	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1	ZINC000681943127	544988936	/nfs/dbraw/zinc/98/89/36/544988936.db2.gz	SVWQHKUSCYVYJI-VXGBXAGGSA-N	-1	0	314.338	-0.674	50	0		DBAARM
Cn1cc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000492635588	266163032	/nfs/dbraw/zinc/16/30/32/266163032.db2.gz	STVCJFJIGDCYCJ-ISALQUGTSA-N	-1	0	321.333	-0.580	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccn(C)n3)[C@@H]2SC1	ZINC000002735297	281655977	/nfs/dbraw/zinc/65/59/77/281655977.db2.gz	ILTWKXWHLKKWPC-PELKAZGASA-N	-1	0	322.346	-0.208	50	0		DBAARM
Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC(=O)[O-]	ZINC000170624201	302325464	/nfs/dbraw/zinc/32/54/64/302325464.db2.gz	LQFVPCPGYOGIFR-UHFFFAOYSA-N	-1	0	305.294	-0.530	50	0		DBAARM
Cn1c2[nH]c(N3CCC(C(=O)[O-])CC3)nc2c(=O)n(C)c1=O	ZINC000001409320	302903355	/nfs/dbraw/zinc/90/33/55/302903355.db2.gz	LFJLOUHITZIKAP-UHFFFAOYSA-N	-1	0	307.310	-0.739	50	0		DBAARM
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000534651672	334312334	/nfs/dbraw/zinc/31/23/34/334312334.db2.gz	PQOSGXZMKNGWIR-UHFFFAOYSA-N	-1	0	319.383	-0.664	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000262487815	526332698	/nfs/dbraw/zinc/33/26/98/526332698.db2.gz	LMVGEKIHUFXNBN-ZYHUDNBSSA-N	-1	0	322.317	-0.060	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cnnn2)c1	ZINC000268977132	526333135	/nfs/dbraw/zinc/33/31/35/526333135.db2.gz	KNWKSJRVWUTSCO-LLVKDONJSA-N	-1	0	303.278	-0.412	50	0		DBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000299748011	526678388	/nfs/dbraw/zinc/67/83/88/526678388.db2.gz	FULNWSCOOMFEML-VHSXEESVSA-N	-1	0	302.352	-0.390	50	0		DBAARM
C[C@@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(N)=O)C(=O)[O-]	ZINC000071257118	563498403	/nfs/dbraw/zinc/49/84/03/563498403.db2.gz	RUCOEDMQVPNIDV-SFYZADRCSA-N	-1	0	317.342	-0.266	50	0		DBAARM
O=C([O-])CN1CC[C@@H](N2C(=O)c3ccccc3S2(=O)=O)C1=O	ZINC000853004585	805994752	/nfs/dbraw/zinc/99/47/52/805994752.db2.gz	VISJPHWXEHKWNQ-SECBINFHSA-N	-1	0	324.314	-0.483	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1	ZINC001529151126	1014523099	/nfs/dbraw/zinc/52/30/99/1014523099.db2.gz	FKDSILHSFGDTFH-DGCLKSJQSA-N	-1	0	318.337	-0.953	50	0		DBAARM
Nc1nc2c(c(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])n1)CCCC2	ZINC001506420393	1019842935	/nfs/dbraw/zinc/84/29/35/1019842935.db2.gz	CHJSWRGUXFAJEH-XCBNKYQSSA-N	-1	0	306.322	-0.402	50	0		DBAARM
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000071767705	191029403	/nfs/dbraw/zinc/02/94/03/191029403.db2.gz	VLWOYHYWCNHLLO-UHFFFAOYSA-N	-1	0	303.340	-0.373	50	0		DBAARM
Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1n[nH]c(=O)[n-]1	ZINC000072311293	191120139	/nfs/dbraw/zinc/12/01/39/191120139.db2.gz	GLHMNDOFJIZYEX-UHFFFAOYSA-N	-1	0	315.297	-0.296	50	0		DBAARM
CN(C)C(=O)CN1CCN(C(=O)c2nccnc2C(=O)[O-])CC1	ZINC000072404057	191152302	/nfs/dbraw/zinc/15/23/02/191152302.db2.gz	PSNPEXNMWPQIMW-UHFFFAOYSA-N	-1	0	321.337	-0.979	50	0		DBAARM
O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000004204352	181084717	/nfs/dbraw/zinc/08/47/17/181084717.db2.gz	PANIHRKSOILEGJ-SECBINFHSA-N	-1	0	319.360	-0.150	50	0		DBAARM
CC1(C)O[C@H]2[C@H](n3cnc4c3ncnc4N)O[C@@H](C(=O)[O-])[C@H]2O1	ZINC000005482285	181248744	/nfs/dbraw/zinc/24/87/44/181248744.db2.gz	RRTBBKSJPNRFCG-PRKAOEEVSA-N	-1	0	321.293	-0.089	50	0		DBAARM
NS(=O)(=O)c1ccc(NC(=O)C[S@](=O)CC(=O)[O-])cc1	ZINC000005715368	181276582	/nfs/dbraw/zinc/27/65/82/181276582.db2.gz	CDPCAGDLTYBLMC-LJQANCHMSA-N	-1	0	320.348	-0.894	50	0		DBAARM
O=C([O-])C1CN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1	ZINC000370578900	138158646	/nfs/dbraw/zinc/15/86/46/138158646.db2.gz	DRBDXGGIVZUXNW-UHFFFAOYSA-N	-1	0	324.358	-0.143	50	0		DBAARM
CN1Cc2ccccc2C[C@@H]1C(=O)NCCC(=O)NCC(=O)[O-]	ZINC000095374923	283253914	/nfs/dbraw/zinc/25/39/14/283253914.db2.gz	WVBMTQUCRXGQMW-CYBMUJFWSA-N	-1	0	319.361	-0.250	50	0		DBAARM
O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000008765236	181584090	/nfs/dbraw/zinc/58/40/90/181584090.db2.gz	GNIQROQYKATZJE-UFBFGSQYSA-N	-1	0	317.301	-0.488	50	0	biogenic	DBAARM
C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001576091	374241519	/nfs/dbraw/zinc/24/15/19/374241519.db2.gz	VWPKWOHWTBYMEQ-ONGXEEELSA-N	-1	0	310.306	-0.137	50	0		DBAARM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCN(c2ccccn2)CC1	ZINC000023625027	374405304	/nfs/dbraw/zinc/40/53/04/374405304.db2.gz	VGFFYQZXJBOUIU-UHFFFAOYSA-N	-1	0	315.333	-0.307	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000100639089	374463909	/nfs/dbraw/zinc/46/39/09/374463909.db2.gz	GLYIGPIRTZGEDL-QWRGUYRKSA-N	-1	0	315.285	-0.121	50	0		DBAARM
Nc1ncccc1CN1CCN(C(=O)CO)C[C@H](C(=O)[O-])C1	ZINC000097307091	374868513	/nfs/dbraw/zinc/86/85/13/374868513.db2.gz	YPLWFKKSCWXMRS-LLVKDONJSA-N	-1	0	308.338	-0.999	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000100544203	374886496	/nfs/dbraw/zinc/88/64/96/374886496.db2.gz	PPODHPANTJLWHP-NXEZZACHSA-N	-1	0	303.274	-0.315	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCO1	ZINC000362571703	375019036	/nfs/dbraw/zinc/01/90/36/375019036.db2.gz	ASTAAYJZDASIKY-CYBMUJFWSA-N	-1	0	317.301	-0.292	50	0		DBAARM
CN1CCN(NC(=O)CN(CC(=O)[O-])c2ccccc2)CC1	ZINC000034926515	182744448	/nfs/dbraw/zinc/74/44/48/182744448.db2.gz	CFWANKOKNOFKIB-UHFFFAOYSA-N	-1	0	306.366	-0.144	50	0		DBAARM
Cc1ccc2nc(CNC(=O)Cc3cc(=O)[nH][n-]c3=O)cn2c1	ZINC000216449193	376566119	/nfs/dbraw/zinc/56/61/19/376566119.db2.gz	NFQTYQPPCKVUGT-UHFFFAOYSA-N	-1	0	313.317	-0.122	50	0		DBAARM
Cc1cc(C)n(C2CN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)n1	ZINC000219192656	376617967	/nfs/dbraw/zinc/61/79/67/376617967.db2.gz	KJKCRDGJYSDYEQ-UHFFFAOYSA-N	-1	0	303.322	-0.497	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cn2cccnc2n1	ZINC000219470060	376623278	/nfs/dbraw/zinc/62/32/78/376623278.db2.gz	KPXBEOZPDYDCAA-MWLCHTKSSA-N	-1	0	320.305	-0.282	50	0		DBAARM
COc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cn1	ZINC000220482596	376647824	/nfs/dbraw/zinc/64/78/24/376647824.db2.gz	UJTQCIJKNFQLSJ-ZJUUUORDSA-N	-1	0	311.294	-0.526	50	0		DBAARM
Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O	ZINC000223321264	376721970	/nfs/dbraw/zinc/72/19/70/376721970.db2.gz	ZKCFLZAQCABYLQ-ZETCQYMHSA-N	-1	0	305.338	-0.085	50	0		DBAARM
C[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)C(=O)[O-]	ZINC000223224198	376723715	/nfs/dbraw/zinc/72/37/15/376723715.db2.gz	SBADTDHKYHUYBC-MRVPVSSYSA-N	-1	0	305.294	-0.155	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCO1	ZINC000261980682	376765947	/nfs/dbraw/zinc/76/59/47/376765947.db2.gz	RFPSUGVKACQLIN-NSHDSACASA-N	-1	0	303.278	-0.412	50	0		DBAARM
O=C([O-])CCNC(=O)CNC1=NS(=O)(=O)c2ccccc21	ZINC000262213114	376786518	/nfs/dbraw/zinc/78/65/18/376786518.db2.gz	KCYOIUANSKZYHW-UHFFFAOYSA-N	-1	0	311.319	-0.684	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc21	ZINC000262459052	304199813	/nfs/dbraw/zinc/19/98/13/304199813.db2.gz	IEZGRQWJGBAYPP-LLVKDONJSA-N	-1	0	305.290	-0.358	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000262441529	376928459	/nfs/dbraw/zinc/92/84/59/376928459.db2.gz	NLBOASYMDOSVPD-JTQLQIEISA-N	-1	0	322.383	-0.640	50	0		DBAARM
C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699764	183297996	/nfs/dbraw/zinc/29/79/96/183297996.db2.gz	HDEZTKZCPQZUKZ-UWVGGRQHSA-N	-1	0	306.384	-0.020	50	0		DBAARM
O=C([O-])CCN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000035125653	378440292	/nfs/dbraw/zinc/44/02/92/378440292.db2.gz	VOOIMZVVKNAUTL-JTQLQIEISA-N	-1	0	304.368	-0.960	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O	ZINC000101763756	378592728	/nfs/dbraw/zinc/59/27/28/378592728.db2.gz	LTTWXOQEIBFLHD-VIFPVBQESA-N	-1	0	302.290	-0.077	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@@H](c3ccc(O)cc3)C2)c(=O)n(C)c1=O	ZINC000101761743	378593431	/nfs/dbraw/zinc/59/34/31/378593431.db2.gz	ZVPRVEYHKDJPAY-SNVBAGLBSA-N	-1	0	316.317	-0.066	50	0		DBAARM
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@@H](C(=O)[O-])C1	ZINC000101654096	379699211	/nfs/dbraw/zinc/69/92/11/379699211.db2.gz	SBHSKKJOZNMAGK-GFCCVEGCSA-N	-1	0	313.379	-0.140	50	0		DBAARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CNC(=O)N1	ZINC000089346571	380145832	/nfs/dbraw/zinc/14/58/32/380145832.db2.gz	ZTOWKQZYMURZDK-ZETCQYMHSA-N	-1	0	307.335	-0.376	50	0		DBAARM
COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1OC	ZINC000036965677	380706703	/nfs/dbraw/zinc/70/67/03/380706703.db2.gz	XTPBKMQOZCMKMD-QMMMGPOBSA-N	-1	0	305.308	-0.572	50	0		DBAARM
O=C([O-])[C@@H]1CCCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000238033732	381059708	/nfs/dbraw/zinc/05/97/08/381059708.db2.gz	CTHLXHWLRZWWIB-JTQLQIEISA-N	-1	0	304.306	-0.038	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000062119103	184206847	/nfs/dbraw/zinc/20/68/47/184206847.db2.gz	COHVZDWQEYRHKJ-UWVGGRQHSA-N	-1	0	304.368	-0.409	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000062913952	184259817	/nfs/dbraw/zinc/25/98/17/184259817.db2.gz	CPAQRILIAFMWJM-GXFFZTMASA-N	-1	0	318.395	-0.019	50	0		DBAARM
CCc1noc([C@H](C)N2CCN(Cc3nn(C)c(=O)[n-]3)CC2)n1	ZINC000095996057	382603711	/nfs/dbraw/zinc/60/37/11/382603711.db2.gz	MBKHVFLAQYTZGU-JTQLQIEISA-N	-1	0	321.385	-0.067	50	0		DBAARM
Cc1[nH]nc(S(=O)(=O)N2CCC(C(N)=O)CC2)c1C(=O)[O-]	ZINC000070197603	382694193	/nfs/dbraw/zinc/69/41/93/382694193.db2.gz	OTZJGLFWTWSLQO-UHFFFAOYSA-N	-1	0	316.339	-0.698	50	0		DBAARM
Cc1nc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)no1	ZINC000538702658	382695627	/nfs/dbraw/zinc/69/56/27/382695627.db2.gz	XAOVCSDWJWCLGT-UHFFFAOYSA-N	-1	0	318.336	-0.174	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1C(N)=O	ZINC000037418504	256533366	/nfs/dbraw/zinc/53/33/66/256533366.db2.gz	ZTXSMSLAORALIK-VIFPVBQESA-N	-1	0	315.351	-0.248	50	0		DBAARM
CN1CC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000277217340	257238090	/nfs/dbraw/zinc/23/80/90/257238090.db2.gz	MYUVHRJDXVSFPP-UHFFFAOYSA-N	-1	0	305.290	-0.105	50	0		DBAARM
C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)N1CCc2ccccc21	ZINC000069628715	184828397	/nfs/dbraw/zinc/82/83/97/184828397.db2.gz	DWBMLBWIWQERRH-MRVPVSSYSA-N	-1	0	301.306	-0.194	50	0		DBAARM
O=c1[n-]c(=O)c(SCn2nnc3ccccc3c2=O)n[nH]1	ZINC000003225638	392160722	/nfs/dbraw/zinc/16/07/22/392160722.db2.gz	XILOROJOPGKKQC-UHFFFAOYSA-N	-1	0	304.291	-0.687	50	0		DBAARM
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC000269086134	392412099	/nfs/dbraw/zinc/41/20/99/392412099.db2.gz	MVUQYVHPZXPENE-YGRLFVJLSA-N	-1	0	311.338	-0.068	50	0		DBAARM
O=C(NCCCc1nnn[n-]1)[C@H]1Cc2ccccc2C(=O)N1	ZINC000426434558	392547211	/nfs/dbraw/zinc/54/72/11/392547211.db2.gz	VCGHZGZUJFSGLP-LLVKDONJSA-N	-1	0	300.322	-0.397	50	0		DBAARM
COc1n[nH]c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1	ZINC000158947178	393725697	/nfs/dbraw/zinc/72/56/97/393725697.db2.gz	CPCGXDZDTHUYCE-UHFFFAOYSA-N	-1	0	300.300	-0.949	50	0		DBAARM
O=C([O-])CNc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O	ZINC000526059741	393730085	/nfs/dbraw/zinc/73/00/85/393730085.db2.gz	APXBGFJKKWENNW-NSHDSACASA-N	-1	0	317.301	-0.056	50	0		DBAARM
Cn1nccc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496271	411870311	/nfs/dbraw/zinc/87/03/11/411870311.db2.gz	LKLPCPGVAWIBNC-JTQLQIEISA-N	-1	0	310.335	-0.211	50	0		DBAARM
CC(C)(C)OC(=O)N1CC[C@@H](NN)C[C@H]1OC(=O)C(=O)[O-]	ZINC000328578034	278405105	/nfs/dbraw/zinc/40/51/05/278405105.db2.gz	LRADDXSGZQUBNM-HTQZYQBOSA-N	-1	0	303.315	-0.197	50	0		DBAARM
CC(C)(C)OC(=O)N1CC[C@H](NN)C[C@@H]1OC(=O)C(=O)[O-]	ZINC000328578037	278410496	/nfs/dbraw/zinc/41/04/96/278410496.db2.gz	LRADDXSGZQUBNM-YUMQZZPRSA-N	-1	0	303.315	-0.197	50	0		DBAARM
CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NCCCOC	ZINC000071405374	337366827	/nfs/dbraw/zinc/36/68/27/337366827.db2.gz	IHNSUHBMQGXRLY-SSDOTTSWSA-N	-1	0	302.356	-0.106	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)CCn1nc2ccccn2c1=O	ZINC000299749665	534526000	/nfs/dbraw/zinc/52/60/00/534526000.db2.gz	LFZMNXPZDFXZNE-JTQLQIEISA-N	-1	0	320.305	-0.802	50	0		DBAARM
CC[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-]	ZINC000262609376	522783512	/nfs/dbraw/zinc/78/35/12/522783512.db2.gz	AVVLKPJKLYHCGS-MRVPVSSYSA-N	-1	0	304.324	-0.078	50	0		DBAARM
C[C@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)CC(=O)[O-]	ZINC000157930127	524437753	/nfs/dbraw/zinc/43/77/53/524437753.db2.gz	OBNFFSGGUPJPAC-VHSXEESVSA-N	-1	0	306.384	-0.115	50	0		DBAARM
C[C@@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)CC(=O)[O-]	ZINC000157930556	524708027	/nfs/dbraw/zinc/70/80/27/524708027.db2.gz	OBNFFSGGUPJPAC-ZJUUUORDSA-N	-1	0	306.384	-0.115	50	0		DBAARM
O=C([O-])C[C@H]1CN(C(=O)CCN2CCCO2)C[C@H]1c1cn[nH]n1	ZINC000299801732	665244846	/nfs/dbraw/zinc/24/48/46/665244846.db2.gz	YOFLVLNUSFIIAW-WDEREUQCSA-N	-1	0	323.353	-0.151	50	0		DBAARM
O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1NC(=O)NC1=O	ZINC000864096716	806390695	/nfs/dbraw/zinc/39/06/95/806390695.db2.gz	CHDOPVHTHOOZEQ-CMPLNLGQSA-N	-1	0	317.301	-0.205	50	0		DBAARM
CNS(=O)(=O)c1ncccc1[N-]S(=O)(=O)C[C@@H](C)OC	ZINC000585129761	803877875	/nfs/dbraw/zinc/87/78/75/803877875.db2.gz	VFOCBYXQEQDPNG-MRVPVSSYSA-N	-1	0	323.396	-0.234	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N[C@H](c1ccccn1)C(F)(F)F	ZINC000827864049	805355141	/nfs/dbraw/zinc/35/51/41/805355141.db2.gz	LWAYYKFDVWJWFP-MRVPVSSYSA-N	-1	0	301.232	-0.100	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCN(c2ccccc2F)CC1	ZINC000827950553	805357392	/nfs/dbraw/zinc/35/73/92/805357392.db2.gz	RUSRJBZVPMCGKF-UHFFFAOYSA-N	-1	0	305.317	-0.426	50	0		DBAARM
C[C@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-]	ZINC001506398885	1019841773	/nfs/dbraw/zinc/84/17/73/1019841773.db2.gz	ZGGOKHVEIQDLFW-VIFPVBQESA-N	-1	0	321.337	-0.515	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000162189010	197551204	/nfs/dbraw/zinc/55/12/04/197551204.db2.gz	XPTTUBRVNNQPBO-WDEREUQCSA-N	-1	0	318.395	-0.019	50	0		DBAARM
O=C([O-])C1(O)CCN(c2cc(N3CCOCC3)ncn2)CC1	ZINC000071748655	191021515	/nfs/dbraw/zinc/02/15/15/191021515.db2.gz	BRNJGUFYXSOZMA-UHFFFAOYSA-N	-1	0	308.338	-0.271	50	0		DBAARM
O=C([O-])[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O	ZINC000002206452	180915351	/nfs/dbraw/zinc/91/53/51/180915351.db2.gz	YAGNZEZXVAHQMT-LLVKDONJSA-N	-1	0	302.290	-0.133	50	0		DBAARM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cc[nH]n1)CC2	ZINC000091416900	193053317	/nfs/dbraw/zinc/05/33/17/193053317.db2.gz	CSQLMJVIVHETMM-VIFPVBQESA-N	-1	0	306.322	-0.053	50	0		DBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCN1CCCO1	ZINC000222783755	201622751	/nfs/dbraw/zinc/62/27/51/201622751.db2.gz	OCUFXWXTSPFXBZ-MNOVXSKESA-N	-1	0	302.327	-0.611	50	0		DBAARM
Cn1c2nc(NC3CCCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000012443296	181763314	/nfs/dbraw/zinc/76/33/14/181763314.db2.gz	UXNBONJOAVZMRH-UHFFFAOYSA-N	-1	0	307.310	-0.138	50	0		DBAARM
O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1	ZINC000009428907	374301847	/nfs/dbraw/zinc/30/18/47/374301847.db2.gz	NDDABTAVUZYSSP-VIFPVBQESA-N	-1	0	319.360	-0.150	50	0		DBAARM
Cc1nc(-c2cnc(N3CCOCC3)nc2)n(CC(=O)[O-])n1	ZINC000097243763	374864276	/nfs/dbraw/zinc/86/42/76/374864276.db2.gz	WYXWJKMOWTYHSG-UHFFFAOYSA-N	-1	0	304.310	-0.035	50	0		DBAARM
CN(C)S(=O)(=O)CCCN1Cc2nc[nH]c2C[C@@H]1C(=O)[O-]	ZINC000097601124	374873792	/nfs/dbraw/zinc/87/37/92/374873792.db2.gz	DUHHMRYSRMZMMM-LLVKDONJSA-N	-1	0	316.383	-0.498	50	0		DBAARM
CN(C)S(=O)(=O)CCCN1Cc2nc[nH]c2C[C@H]1C(=O)[O-]	ZINC000097601125	374874946	/nfs/dbraw/zinc/87/49/46/374874946.db2.gz	DUHHMRYSRMZMMM-NSHDSACASA-N	-1	0	316.383	-0.498	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100810553	374886436	/nfs/dbraw/zinc/88/64/36/374886436.db2.gz	KBJMFMOBQVOSQL-ZJUUUORDSA-N	-1	0	303.274	-0.315	50	0		DBAARM
C[C@@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CCN1CCCC1=O	ZINC000426536204	375000974	/nfs/dbraw/zinc/00/09/74/375000974.db2.gz	ABNUHJCOSATGMS-SNVBAGLBSA-N	-1	0	311.338	-0.857	50	0		DBAARM
CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])s1	ZINC000262737467	375140510	/nfs/dbraw/zinc/14/05/10/375140510.db2.gz	IPQFSZAVKMYGIY-JGVFFNPUSA-N	-1	0	318.376	-0.007	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000062132474	375308535	/nfs/dbraw/zinc/30/85/35/375308535.db2.gz	WQANXMPALIZLAC-SSDOTTSWSA-N	-1	0	301.324	-0.781	50	0		DBAARM
COc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1N	ZINC000003156890	375449504	/nfs/dbraw/zinc/44/95/04/375449504.db2.gz	WODJSCQBFSWEPY-UHFFFAOYSA-N	-1	0	311.337	-0.130	50	0		DBAARM
CN(CCCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)cn1C	ZINC000036970786	182857523	/nfs/dbraw/zinc/85/75/23/182857523.db2.gz	HLMTZNCQEDXPJQ-UHFFFAOYSA-N	-1	0	303.340	-0.391	50	0		DBAARM
Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2nnn[n-]2)n(C)n1	ZINC000215175050	376516420	/nfs/dbraw/zinc/51/64/20/376516420.db2.gz	DOHIJHMAFYJWPZ-UHFFFAOYSA-N	-1	0	315.341	-0.119	50	0		DBAARM
Cn1nnc(-c2ccc(OCC(=O)NCCC(=O)[O-])cc2)n1	ZINC000218171141	376603434	/nfs/dbraw/zinc/60/34/34/376603434.db2.gz	QQUUCQIXMSBEEZ-UHFFFAOYSA-N	-1	0	305.294	-0.153	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCO1	ZINC000262915413	377103795	/nfs/dbraw/zinc/10/37/95/377103795.db2.gz	DHWDMXINOKISLJ-LLVKDONJSA-N	-1	0	305.290	-0.358	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)CCO1	ZINC000262916496	377104011	/nfs/dbraw/zinc/10/40/11/377104011.db2.gz	DHWDMXINOKISLJ-NSHDSACASA-N	-1	0	305.290	-0.358	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCO1	ZINC000262935130	377106839	/nfs/dbraw/zinc/10/68/39/377106839.db2.gz	GVZICYCJRGECQV-JQWIXIFHSA-N	-1	0	322.317	-0.060	50	0		DBAARM
C[C@H](O)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039945454	183022967	/nfs/dbraw/zinc/02/29/67/183022967.db2.gz	BCQCTWKKNHXURW-CABZTGNLSA-N	-1	0	310.306	-0.137	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000100166215	378573711	/nfs/dbraw/zinc/57/37/11/378573711.db2.gz	FBRLBIDHJMXJSN-QWRGUYRKSA-N	-1	0	315.285	-0.121	50	0		DBAARM
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cn1	ZINC000169785284	380651745	/nfs/dbraw/zinc/65/17/45/380651745.db2.gz	QHSAVPRPXRSPAZ-SECBINFHSA-N	-1	0	311.371	-0.016	50	0		DBAARM
COC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000548218892	380992250	/nfs/dbraw/zinc/99/22/50/380992250.db2.gz	SAXRJTDUKLUXPU-MRVPVSSYSA-N	-1	0	321.307	-0.247	50	0		DBAARM
Cc1ncc(CO)c([C@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1O	ZINC000002130266	381096766	/nfs/dbraw/zinc/09/67/66/381096766.db2.gz	KLRREKPIQIQROK-BXKDBHETSA-N	-1	0	304.306	-0.001	50	0		DBAARM
C[C@@H]1O[C@H](Nc2ccc(S(=O)(=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000252618413	381408282	/nfs/dbraw/zinc/40/82/82/381408282.db2.gz	LGBGTJJKIZVFJP-GHIOYOQGSA-N	-1	0	319.335	-0.827	50	0		DBAARM
CC(=O)OC[C@@H]1O[C@H](OC(=O)[O-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000252642498	381679307	/nfs/dbraw/zinc/67/93/07/381679307.db2.gz	ZMFPMGLQGQUKQV-XWLWVQCSSA-N	-1	0	320.250	-0.168	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000062913950	184259956	/nfs/dbraw/zinc/25/99/56/184259956.db2.gz	CPAQRILIAFMWJM-ZWNOBZJWSA-N	-1	0	318.395	-0.019	50	0		DBAARM
COCCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000004247364	382645963	/nfs/dbraw/zinc/64/59/63/382645963.db2.gz	JKYLZHMETMIWPT-UHFFFAOYSA-N	-1	0	314.323	-0.754	50	0		DBAARM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O	ZINC000269166991	256625047	/nfs/dbraw/zinc/62/50/47/256625047.db2.gz	FUPOVHOBDROVQD-RTHLEPHNSA-N	-1	0	309.322	-0.360	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000037418494	392010089	/nfs/dbraw/zinc/01/00/89/392010089.db2.gz	MWJWOLPBRZIXKG-MRVPVSSYSA-N	-1	0	315.351	-0.391	50	0		DBAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC[C@@H](c2cc[nH]n2)C1	ZINC000215801998	392830511	/nfs/dbraw/zinc/83/05/11/392830511.db2.gz	CRHRNMZJYVNUTQ-SECBINFHSA-N	-1	0	303.322	-0.265	50	0		DBAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCS(=O)(=O)N1	ZINC000652050652	411752614	/nfs/dbraw/zinc/75/26/14/411752614.db2.gz	IZXDUALHEFKPEX-GHMZBOCLSA-N	-1	0	312.347	-0.510	50	0		DBAARM
COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCC(=O)[O-]	ZINC000261801261	544693487	/nfs/dbraw/zinc/69/34/87/544693487.db2.gz	FJHMGJVPDPLDHE-UHFFFAOYSA-N	-1	0	316.335	-0.306	50	0		DBAARM
Cc1cc2nc(CN3CCN4C(=O)OC[C@@H]4C3)cc(=O)n2[n-]1	ZINC000670440228	544703545	/nfs/dbraw/zinc/70/35/45/544703545.db2.gz	CHTVISZZRBLCGQ-NSHDSACASA-N	-1	0	303.322	-0.033	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1	ZINC000681943713	544988306	/nfs/dbraw/zinc/98/83/06/544988306.db2.gz	NTVPHAGIBINUKS-NEPJUHHUSA-N	-1	0	314.338	-0.817	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1	ZINC000681943715	544988640	/nfs/dbraw/zinc/98/86/40/544988640.db2.gz	NTVPHAGIBINUKS-RYUDHWBXSA-N	-1	0	314.338	-0.817	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccccn2)CCO1	ZINC000681941395	544988744	/nfs/dbraw/zinc/98/87/44/544988744.db2.gz	MTUMROLNTLCGHB-LBPRGKRZSA-N	-1	0	321.333	-0.144	50	0		DBAARM
CN(C)C(=O)CN1CCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000071283167	288958322	/nfs/dbraw/zinc/95/83/22/288958322.db2.gz	GEEAPLINQLHLHB-VXGBXAGGSA-N	-1	0	311.382	-0.424	50	0		DBAARM
CN(C)C(=O)CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	ZINC000071283168	288958479	/nfs/dbraw/zinc/95/84/79/288958479.db2.gz	GEEAPLINQLHLHB-RYUDHWBXSA-N	-1	0	311.382	-0.424	50	0		DBAARM
CN(C)S(=O)(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1	ZINC000072475727	289252422	/nfs/dbraw/zinc/25/24/22/289252422.db2.gz	ITCWUMBKKMREPJ-UHFFFAOYSA-N	-1	0	302.356	-0.435	50	0		DBAARM
CN(CCCC(=O)[O-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000037456104	289613195	/nfs/dbraw/zinc/61/31/95/289613195.db2.gz	VWWHVOBDUSSBGX-JTQLQIEISA-N	-1	0	306.384	-0.019	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043701221	295514842	/nfs/dbraw/zinc/51/48/42/295514842.db2.gz	CAMZCGLLGVHZHS-ZJUUUORDSA-N	-1	0	320.367	-0.888	50	0		DBAARM
NC(=O)Cc1ccc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000299748262	534368680	/nfs/dbraw/zinc/36/86/80/534368680.db2.gz	GQHYHIBNKIRTGQ-GFCCVEGCSA-N	-1	0	322.317	-0.595	50	0		DBAARM
O=C([O-])[C@@H]1CCCN(C(=O)CCN2CCCS2(=O)=O)C1	ZINC000299742806	534519635	/nfs/dbraw/zinc/51/96/35/534519635.db2.gz	KOIRQJSSXXBVJZ-SNVBAGLBSA-N	-1	0	304.368	-0.265	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)CCn1nc2ccccn2c1=O	ZINC000299749666	534539656	/nfs/dbraw/zinc/53/96/56/534539656.db2.gz	LFZMNXPZDFXZNE-SNVBAGLBSA-N	-1	0	320.305	-0.802	50	0		DBAARM
Cn1c(=O)ccn(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1=O	ZINC000261653322	534671489	/nfs/dbraw/zinc/67/14/89/534671489.db2.gz	FPYNUNUMRRLPNS-LLVKDONJSA-N	-1	0	323.349	-0.350	50	0		DBAARM
C[C@H](C(=O)NCCn1[n-]c(=O)ccc1=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000071759487	191025602	/nfs/dbraw/zinc/02/56/02/191025602.db2.gz	YUUMTSKKHZPCNU-GRYCIOLGSA-N	-1	0	324.381	-0.437	50	0		DBAARM
O=C(NCCCc1nnn[n-]1)c1cn(C[C@@H]2CCCO2)nn1	ZINC000072164344	191063936	/nfs/dbraw/zinc/06/39/36/191063936.db2.gz	JMJNTXJUXPBYTR-VIFPVBQESA-N	-1	0	306.330	-0.667	50	0		DBAARM
CN(C)C(=O)c1cccnc1N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1	ZINC000072418860	191157566	/nfs/dbraw/zinc/15/75/66/191157566.db2.gz	LECGUVNCAVQKHV-ZUZCIYMTSA-N	-1	0	318.333	-0.580	50	0		DBAARM
Cc1ccc(S(=O)(=O)N(CCO)CCO)cc1C(=O)[O-]	ZINC000004303098	181094968	/nfs/dbraw/zinc/09/49/68/181094968.db2.gz	VPKVVMTURZZXSE-UHFFFAOYSA-N	-1	0	303.336	-0.331	50	0		DBAARM
Cc1nc[nH]c1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-]	ZINC000091536642	193070847	/nfs/dbraw/zinc/07/08/47/193070847.db2.gz	MXOZNTJOEFKXSZ-VIFPVBQESA-N	-1	0	306.322	-0.086	50	0		DBAARM
Cc1cc(=O)cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])n1C	ZINC000220453083	201576109	/nfs/dbraw/zinc/57/61/09/201576109.db2.gz	JPGNAEPHXYABNE-DGCLKSJQSA-N	-1	0	324.333	-0.318	50	0		DBAARM
C[C@H](O)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC000013552852	181861207	/nfs/dbraw/zinc/86/12/07/181861207.db2.gz	OPKGPTCVHCATKD-MADCSZMMSA-N	-1	0	305.290	-0.172	50	0		DBAARM
CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCC(=O)[O-]	ZINC000009319135	374300430	/nfs/dbraw/zinc/30/04/30/374300430.db2.gz	DXAXTJRLKZDRLN-VIFPVBQESA-N	-1	0	300.311	-0.479	50	0		DBAARM
CS(=O)(=O)N1CCN(C(=O)N2CCCC2)C[C@H](C(=O)[O-])C1	ZINC000097813604	193760319	/nfs/dbraw/zinc/76/03/19/193760319.db2.gz	GVWMBOXLFLTLOZ-JTQLQIEISA-N	-1	0	319.383	-0.520	50	0		DBAARM
C[C@]12CCC(=O)N1[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)CS2	ZINC000043702116	374615158	/nfs/dbraw/zinc/61/51/58/374615158.db2.gz	IOSXTHYGGWUPJW-RVBZMBCESA-N	-1	0	314.363	-0.248	50	0		DBAARM
O=C([O-])C1(O)CCN(c2nccc(N3CCC[C@@H](O)C3)n2)CC1	ZINC000071479637	374688039	/nfs/dbraw/zinc/68/80/39/374688039.db2.gz	KNCYCYOZFUKYNF-LLVKDONJSA-N	-1	0	322.365	-0.146	50	0		DBAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cnnn2)c1	ZINC000000046827	374726175	/nfs/dbraw/zinc/72/61/75/374726175.db2.gz	QMBQIRZRSPFKIR-UHFFFAOYSA-N	-1	0	311.323	-0.189	50	0		DBAARM
O=C([O-])Cn1nc(C2CCCC2)nc1C[C@@H]1NC(=O)NC1=O	ZINC000097514910	374869378	/nfs/dbraw/zinc/86/93/78/374869378.db2.gz	AJJYSZAETRZZDA-QMMMGPOBSA-N	-1	0	307.310	-0.229	50	0		DBAARM
Nc1cc(N2CCN(Cc3ncc[nH]3)C[C@@H](C(=O)[O-])C2)ncn1	ZINC000097600964	374875219	/nfs/dbraw/zinc/87/52/19/374875219.db2.gz	GFEVHIYNTDWZMQ-SNVBAGLBSA-N	-1	0	317.353	-0.195	50	0		DBAARM
C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CCN1CCCC1=O	ZINC000426536203	375001562	/nfs/dbraw/zinc/00/15/62/375001562.db2.gz	ABNUHJCOSATGMS-JTQLQIEISA-N	-1	0	311.338	-0.857	50	0		DBAARM
CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1	ZINC000262737469	375140004	/nfs/dbraw/zinc/14/00/04/375140004.db2.gz	IPQFSZAVKMYGIY-SFYZADRCSA-N	-1	0	318.376	-0.007	50	0		DBAARM
NS(=O)(=O)c1cccc(NC(=O)NCCOCC(=O)[O-])c1	ZINC000093229279	375217481	/nfs/dbraw/zinc/21/74/81/375217481.db2.gz	YQBWUNCAAZLMOF-UHFFFAOYSA-N	-1	0	317.323	-0.443	50	0		DBAARM
Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cc(=O)[nH]1	ZINC000218245907	376605611	/nfs/dbraw/zinc/60/56/11/376605611.db2.gz	PCHDKVBKDFKPFJ-GHMZBOCLSA-N	-1	0	310.306	-0.328	50	0		DBAARM
CS(=O)(=O)NCCC(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000220041246	376638335	/nfs/dbraw/zinc/63/83/35/376638335.db2.gz	OYMMXMHPBBPDBJ-UHFFFAOYSA-N	-1	0	321.380	-0.561	50	0		DBAARM
O=C([O-])[C@]1(NC(=O)Cn2nc3ccccn3c2=O)CCSC1	ZINC000261848067	376759129	/nfs/dbraw/zinc/75/91/29/376759129.db2.gz	DDRVRIYBPRMSCR-ZDUSSCGKSA-N	-1	0	322.346	-0.428	50	0		DBAARM
Cn1c(=O)ccn(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1=O	ZINC000261653327	376754602	/nfs/dbraw/zinc/75/46/02/376754602.db2.gz	FPYNUNUMRRLPNS-NSHDSACASA-N	-1	0	323.349	-0.350	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262421473	376910378	/nfs/dbraw/zinc/91/03/78/376910378.db2.gz	KWNDFAJENMHXIV-JTQLQIEISA-N	-1	0	306.384	-0.019	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@H](c3cccc(O)c3)C2)c(=O)n(C)c1=O	ZINC000101761755	378593542	/nfs/dbraw/zinc/59/35/42/378593542.db2.gz	PYDCNVUXOOULRU-JTQLQIEISA-N	-1	0	316.317	-0.066	50	0		DBAARM
COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](C)C(=O)[O-]	ZINC000252478095	381106781	/nfs/dbraw/zinc/10/67/81/381106781.db2.gz	ADDFJFAPDYADPJ-SSDOTTSWSA-N	-1	0	321.293	-0.157	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000037436183	381371395	/nfs/dbraw/zinc/37/13/95/381371395.db2.gz	XPTTUBRVNNQPBO-MNOVXSKESA-N	-1	0	318.395	-0.019	50	0		DBAARM
CC(=O)OC[C@@H]1O[C@H](OC(=O)[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000252642497	381679402	/nfs/dbraw/zinc/67/94/02/381679402.db2.gz	ZMFPMGLQGQUKQV-UKKRHICBSA-N	-1	0	320.250	-0.168	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1	ZINC000062913523	184259276	/nfs/dbraw/zinc/25/92/76/184259276.db2.gz	DCZDTUDCDWVTAX-SKDRFNHKSA-N	-1	0	304.368	-0.266	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000062913949	184259800	/nfs/dbraw/zinc/25/98/00/184259800.db2.gz	CPAQRILIAFMWJM-MFKMUULPSA-N	-1	0	318.395	-0.019	50	0		DBAARM
Cc1cc(=O)[nH]c(CCNC(=O)CN2CCC[N@@H+](C)CC2)n1	ZINC000584890517	382345998	/nfs/dbraw/zinc/34/59/98/382345998.db2.gz	HUOGVCZKZGDCAE-UHFFFAOYSA-N	-1	0	307.398	-0.213	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000162190401	382628062	/nfs/dbraw/zinc/62/80/62/382628062.db2.gz	JLTYFDZGRRLPDJ-NXEZZACHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccn(C)n3)[C@H]2SC1	ZINC000002735298	382631673	/nfs/dbraw/zinc/63/16/73/382631673.db2.gz	ILTWKXWHLKKWPC-PRHODGIISA-N	-1	0	322.346	-0.208	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1	ZINC000362573382	220815531	/nfs/dbraw/zinc/81/55/31/220815531.db2.gz	RVCZIBYENRNSBO-NSHDSACASA-N	-1	0	318.289	-0.897	50	0		DBAARM
CN1C[C@]2(CCCN(C(=O)NCCCc3nnn[n-]3)C2)OC1=O	ZINC000426581266	257246164	/nfs/dbraw/zinc/24/61/64/257246164.db2.gz	OKVOIRCHBVDDPO-ZDUSSCGKSA-N	-1	0	323.357	-0.242	50	0		DBAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000005252878	392583430	/nfs/dbraw/zinc/58/34/30/392583430.db2.gz	NBIJWBIYEALZSO-CMPLNLGQSA-N	-1	0	315.285	-0.064	50	0		DBAARM
Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC(=O)[O-]	ZINC000005251870	392584374	/nfs/dbraw/zinc/58/43/74/392584374.db2.gz	STBVNJPTGORCJB-UHFFFAOYSA-N	-1	0	305.294	-0.612	50	0		DBAARM
O=C(NCCCc1nnn[n-]1)[C@@H]1Cc2ccccc2C(=O)N1	ZINC000426434566	392546456	/nfs/dbraw/zinc/54/64/56/392546456.db2.gz	VCGHZGZUJFSGLP-NSHDSACASA-N	-1	0	300.322	-0.397	50	0		DBAARM
Cn1nccc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000653496272	411869257	/nfs/dbraw/zinc/86/92/57/411869257.db2.gz	LKLPCPGVAWIBNC-SNVBAGLBSA-N	-1	0	310.335	-0.211	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000091292718	544602614	/nfs/dbraw/zinc/60/26/14/544602614.db2.gz	SZBVVPSPTWBOBB-NXEZZACHSA-N	-1	0	320.367	-0.888	50	0		DBAARM
O=C([O-])CNc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O	ZINC000526059740	262504242	/nfs/dbraw/zinc/50/42/42/262504242.db2.gz	APXBGFJKKWENNW-LLVKDONJSA-N	-1	0	317.301	-0.056	50	0		DBAARM
C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C[C@H](C)O1	ZINC000035680405	297050603	/nfs/dbraw/zinc/05/06/03/297050603.db2.gz	SFKXLEVEXICQOW-PHIMTYICSA-N	-1	0	321.399	-0.957	50	0		DBAARM
Cn1ccnc1CN1CCN(c2ncccn2)C[C@@H]1C(=O)[O-]	ZINC000071682153	302987993	/nfs/dbraw/zinc/98/79/93/302987993.db2.gz	ZCCCTSWKJFXPBN-LLVKDONJSA-N	-1	0	302.338	-0.015	50	0		DBAARM
CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000071773591	563500875	/nfs/dbraw/zinc/50/08/75/563500875.db2.gz	GSBMVIVQPLOJGL-QWRGUYRKSA-N	-1	0	311.338	-0.811	50	0		DBAARM
COCCN(CCOC)C1CN(S(=O)(=O)c2ncc[n-]2)C1	ZINC000952876911	809008202	/nfs/dbraw/zinc/00/82/02/809008202.db2.gz	HTKBLBKWFKAFQQ-UHFFFAOYSA-N	-1	0	318.399	-0.623	50	0		DBAARM
COc1ccc(S(=O)(=O)N2CCN[C@@H](C(=O)[O-])C2)cc1	ZINC000071753694	191023808	/nfs/dbraw/zinc/02/38/08/191023808.db2.gz	ISLWLFCZTVFMRO-LLVKDONJSA-N	-1	0	300.336	-0.258	50	0		DBAARM
O=C([N-]S(=O)(=O)C1CCC1)[C@H]1COCCN1CC(F)F	ZINC000225603539	186282055	/nfs/dbraw/zinc/28/20/55/186282055.db2.gz	JERMWLOFGCHKKV-SECBINFHSA-N	-1	0	312.338	-0.049	50	0		DBAARM
O=C([O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000002457837	180924805	/nfs/dbraw/zinc/92/48/05/180924805.db2.gz	JDXHBQMRNNFXFS-UHFFFAOYSA-N	-1	0	312.347	-0.006	50	0		DBAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1	ZINC000003863492	181050236	/nfs/dbraw/zinc/05/02/36/181050236.db2.gz	MWIVTBBXKLCFRZ-UHFFFAOYSA-N	-1	0	314.363	-0.317	50	0		DBAARM
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000003841504	181048000	/nfs/dbraw/zinc/04/80/00/181048000.db2.gz	OKWGNUOGLNFNEB-KOLCDFICSA-N	-1	0	310.306	-0.137	50	0		DBAARM
CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C(=O)[O-]	ZINC000091304326	193036778	/nfs/dbraw/zinc/03/67/78/193036778.db2.gz	HGJXKCQZXICPFZ-VHSXEESVSA-N	-1	0	309.322	-0.648	50	0		DBAARM
CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)[O-]	ZINC000009319130	181614217	/nfs/dbraw/zinc/61/42/17/181614217.db2.gz	DXAXTJRLKZDRLN-SECBINFHSA-N	-1	0	300.311	-0.479	50	0		DBAARM
CCN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-]	ZINC000092106908	284355787	/nfs/dbraw/zinc/35/57/87/284355787.db2.gz	IUCOPFLGOBIMEO-VIFPVBQESA-N	-1	0	319.383	-0.762	50	0		DBAARM
Cn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)cn1	ZINC000072275689	374414272	/nfs/dbraw/zinc/41/42/72/374414272.db2.gz	MSDZUFIYAQFIAR-TZMCWYRMSA-N	-1	0	322.365	-0.274	50	0		DBAARM
Cn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)cn1	ZINC000072275690	374415081	/nfs/dbraw/zinc/41/50/81/374415081.db2.gz	MSDZUFIYAQFIAR-OCCSQVGLSA-N	-1	0	322.365	-0.274	50	0		DBAARM
Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)N2CCOCC2)n1	ZINC000000186777	374468425	/nfs/dbraw/zinc/46/84/25/374468425.db2.gz	JOLQKFQQXUGRLA-UHFFFAOYSA-N	-1	0	315.355	-0.208	50	0		DBAARM
COCCNC(=O)N1CCN(c2cnccn2)C[C@H](C(=O)[O-])C1	ZINC000097499552	374870351	/nfs/dbraw/zinc/87/03/51/374870351.db2.gz	OYQCQIPBWFVKIQ-NSHDSACASA-N	-1	0	323.353	-0.345	50	0		DBAARM
O=C([O-])[C@@H]1CN(Cc2nccn2C2CC2)CCN(C(=O)CO)C1	ZINC000097636614	374874355	/nfs/dbraw/zinc/87/43/55/374874355.db2.gz	DUFQVDWWNITUAN-LLVKDONJSA-N	-1	0	322.365	-0.445	50	0		DBAARM
Cc1cn2nnc(C(=O)N3CCC(C(=O)[O-])CC3)c2c(=O)[nH]1	ZINC000096033004	374845371	/nfs/dbraw/zinc/84/53/71/374845371.db2.gz	WNQWMWQZRHVIGZ-UHFFFAOYSA-N	-1	0	305.294	-0.337	50	0		DBAARM
O=C([O-])Cn1cc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)cn1	ZINC000043425772	374923445	/nfs/dbraw/zinc/92/34/45/374923445.db2.gz	RIPCXQVQLQPRKR-WDEREUQCSA-N	-1	0	315.351	-0.090	50	0		DBAARM
Cn1c2nc(N3CCCCC3)n(CCC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000000192117	374952917	/nfs/dbraw/zinc/95/29/17/374952917.db2.gz	XRBACLQDPXWCJQ-UHFFFAOYSA-N	-1	0	321.337	-0.112	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCO1	ZINC000262315986	375081761	/nfs/dbraw/zinc/08/17/61/375081761.db2.gz	UITVIBOEJHILDS-LBPRGKRZSA-N	-1	0	317.301	-0.292	50	0		DBAARM
O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c[nH]c(=O)[nH]c1=O	ZINC000215188058	376515269	/nfs/dbraw/zinc/51/52/69/376515269.db2.gz	QGPFKFAXXHMRPZ-NSHDSACASA-N	-1	0	322.365	-0.564	50	0		DBAARM
Cc1nnnn1CCC(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000218972922	376614543	/nfs/dbraw/zinc/61/45/43/376614543.db2.gz	UEGFKJFISFERQS-UHFFFAOYSA-N	-1	0	310.339	-0.115	50	0		DBAARM
O=C([O-])CC1(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)CCCCC1	ZINC000219620404	376628166	/nfs/dbraw/zinc/62/81/66/376628166.db2.gz	WJVSPLQDNQQJHY-UHFFFAOYSA-N	-1	0	309.322	-0.101	50	0		DBAARM
O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000324286207	376732973	/nfs/dbraw/zinc/73/29/73/376732973.db2.gz	QZALUPSXGXBNMK-CMPLNLGQSA-N	-1	0	317.301	-0.205	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cc2ncccn2n1	ZINC000223275725	376723412	/nfs/dbraw/zinc/72/34/12/376723412.db2.gz	IBJAEPYVAJPIJK-MWLCHTKSSA-N	-1	0	320.305	-0.282	50	0		DBAARM
CN1C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1=O	ZINC000263028874	377108571	/nfs/dbraw/zinc/10/85/71/377108571.db2.gz	UHYDVWLNXDGWCG-NSHDSACASA-N	-1	0	318.285	-0.162	50	0		DBAARM
CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-]	ZINC000263194902	377283069	/nfs/dbraw/zinc/28/30/69/377283069.db2.gz	UAXIGUBEUOGFQL-SECBINFHSA-N	-1	0	317.367	-0.132	50	0		DBAARM
CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	ZINC000040544027	183099237	/nfs/dbraw/zinc/09/92/37/183099237.db2.gz	AWEUGBKOMDDUNS-SNVBAGLBSA-N	-1	0	310.335	-0.818	50	0		DBAARM
CC(C)c1noc([C@@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)n1	ZINC000299764343	378051372	/nfs/dbraw/zinc/05/13/72/378051372.db2.gz	ULAFBONMBWZMKA-SSDOTTSWSA-N	-1	0	307.310	-0.011	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@@H](c3cccnc3)C2)c(=O)n(C)c1=O	ZINC000101761766	378593554	/nfs/dbraw/zinc/59/35/54/378593554.db2.gz	CGQIENIVYPOLLQ-SECBINFHSA-N	-1	0	301.306	-0.377	50	0		DBAARM
CN(CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)S(C)(=O)=O	ZINC000262152271	380171706	/nfs/dbraw/zinc/17/17/06/380171706.db2.gz	BSIUVZYYRBRWQI-SNVBAGLBSA-N	-1	0	306.384	-0.019	50	0		DBAARM
O=C(c1nc(=O)[nH][n-]1)N1CCN(CCOc2ccccc2)CC1	ZINC000126468031	381330159	/nfs/dbraw/zinc/33/01/59/381330159.db2.gz	STEPPXZKCGISGE-UHFFFAOYSA-N	-1	0	317.349	-0.065	50	0		DBAARM
Cc1nc2ncc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)c(=O)n2[n-]1	ZINC000584890051	382343694	/nfs/dbraw/zinc/34/36/94/382343694.db2.gz	SDVXSDCQFPRDNM-SECBINFHSA-N	-1	0	313.321	-0.264	50	0		DBAARM
CCOC(=O)NC(=O)CSc1n[nH]c(=O)n1CCCOC	ZINC000008247427	382650182	/nfs/dbraw/zinc/65/01/82/382650182.db2.gz	OTJIWRMSLGQWTL-UHFFFAOYSA-N	-1	0	318.355	-0.027	50	0		DBAARM
O=C([O-])C1(NC(=O)CN2CCN(c3ncccn3)CC2)CCC1	ZINC000426656886	257244383	/nfs/dbraw/zinc/24/43/83/257244383.db2.gz	GFNXOAJHWWUMJM-UHFFFAOYSA-N	-1	0	319.365	-0.278	50	0		DBAARM
C[C@@H]1CN(C)CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000089938424	391906428	/nfs/dbraw/zinc/90/64/28/391906428.db2.gz	WUDNHOXEVFFRRU-MRVPVSSYSA-N	-1	0	303.322	-0.200	50	0		DBAARM
CN(CC(=O)N1CCOCC1)C(=O)c1cccc(C(=O)[O-])n1	ZINC000262575191	392900902	/nfs/dbraw/zinc/90/09/02/392900902.db2.gz	DHWYDFFRGLIGCZ-UHFFFAOYSA-N	-1	0	307.306	-0.289	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O	ZINC000101763761	393411312	/nfs/dbraw/zinc/41/13/12/393411312.db2.gz	LTTWXOQEIBFLHD-SECBINFHSA-N	-1	0	302.290	-0.077	50	0		DBAARM
Cn1cc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1C(N)=O	ZINC000164921918	393733188	/nfs/dbraw/zinc/73/31/88/393733188.db2.gz	WXDOUAJVPGLRNU-UHFFFAOYSA-N	-1	0	301.324	-0.590	50	0		DBAARM
CN(C)C(=O)CN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	ZINC000071283169	393736606	/nfs/dbraw/zinc/73/66/06/393736606.db2.gz	GEEAPLINQLHLHB-NEPJUHHUSA-N	-1	0	311.382	-0.424	50	0		DBAARM
C[C@H](CN(C)C(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699767	393737877	/nfs/dbraw/zinc/73/78/77/393737877.db2.gz	HDEZTKZCPQZUKZ-ZJUUUORDSA-N	-1	0	306.384	-0.020	50	0		DBAARM
O=C(NC1CCCCC1)N1CCN(c2n[nH]c(=O)[n-]c2=O)CC1	ZINC000006855146	134480205	/nfs/dbraw/zinc/48/02/05/134480205.db2.gz	IVDHWICKEPWXEC-UHFFFAOYSA-N	-1	0	322.369	-0.378	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCO1	ZINC000262949467	544705582	/nfs/dbraw/zinc/70/55/82/544705582.db2.gz	IMTBWGVWYDDNSG-JTQLQIEISA-N	-1	0	305.352	-0.344	50	0		DBAARM
CC(C)(NC(=O)Cn1nnnc1-c1ccsc1)c1nnn[n-]1	ZINC000516971938	266288946	/nfs/dbraw/zinc/28/89/46/266288946.db2.gz	OOVNFIIKPLRJHA-UHFFFAOYSA-N	-1	0	319.354	-0.034	50	0		DBAARM
CC1(C)O[C@@H]2[C@H](C(=O)[O-])O[C@@H](n3cnc4c3ncnc4N)[C@H]2O1	ZINC000009207917	281418766	/nfs/dbraw/zinc/41/87/66/281418766.db2.gz	RRTBBKSJPNRFCG-LITAXDCLSA-N	-1	0	321.293	-0.089	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccn(C)n3)[C@H]2SC1	ZINC000002735296	281655756	/nfs/dbraw/zinc/65/57/56/281655756.db2.gz	ILTWKXWHLKKWPC-QPUJVOFHSA-N	-1	0	322.346	-0.208	50	0		DBAARM
Cc1cn([C@@H]2C[C@@H]3O[P@@](=O)([O-])OC[C@H]3O2)c(=O)[nH]c1=O	ZINC000002522492	302320678	/nfs/dbraw/zinc/32/06/78/302320678.db2.gz	QSJFDOVQWZVUQG-RNJXMRFFSA-N	-1	0	304.195	-0.352	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)CCN2CCCS2(=O)=O)C1	ZINC000347487642	525228548	/nfs/dbraw/zinc/22/85/48/525228548.db2.gz	BGLGFHHUYPZPKC-LBPRGKRZSA-N	-1	0	304.368	-0.265	50	0		DBAARM
O=C(NCCCc1nnn[n-]1)N1C[C@H]2CCC[C@@H](C1)NC2=O	ZINC000426509766	670835715	/nfs/dbraw/zinc/83/57/15/670835715.db2.gz	AAOGOSIQXQOULZ-ZJUUUORDSA-N	-1	0	307.358	-0.558	50	0		DBAARM
O=C([O-])CN1CC[C@H](N2C(=O)c3ccccc3S2(=O)=O)C1=O	ZINC000853004588	805994763	/nfs/dbraw/zinc/99/47/63/805994763.db2.gz	VISJPHWXEHKWNQ-VIFPVBQESA-N	-1	0	324.314	-0.483	50	0		DBAARM
CC(C)OC(=O)N1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000065404579	803781396	/nfs/dbraw/zinc/78/13/96/803781396.db2.gz	AYCKDJQPGDVBNV-BXKDBHETSA-N	-1	0	320.367	-0.191	50	0		DBAARM
CNS(=O)(=O)c1ncccc1[N-]S(=O)(=O)C[C@H](C)OC	ZINC000585129762	803877655	/nfs/dbraw/zinc/87/76/55/803877655.db2.gz	VFOCBYXQEQDPNG-QMMMGPOBSA-N	-1	0	323.396	-0.234	50	0		DBAARM
CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cn1[n-]nnc1=N	ZINC001506417807	1019843546	/nfs/dbraw/zinc/84/35/46/1019843546.db2.gz	LLGQAHPCQYDWRW-UHFFFAOYSA-N	-1	0	312.337	-0.070	50	0		DBAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)NCC(=O)c1ccccc1	ZINC000095479078	185373552	/nfs/dbraw/zinc/37/35/52/185373552.db2.gz	ULBSANQGGMQIRP-UHFFFAOYSA-N	-1	0	302.290	-0.198	50	0		DBAARM
C[C@@H](C(=O)[O-])n1c(Br)nc2c1c(=O)[nH]c(=O)n2C	ZINC000000039817	295804222	/nfs/dbraw/zinc/80/42/22/295804222.db2.gz	WYZJSDYUWLBIIB-VKHMYHEASA-N	-1	0	317.099	-0.169	50	0		DBAARM
O=C([O-])/C=C/c1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000000266587	180742653	/nfs/dbraw/zinc/74/26/53/180742653.db2.gz	PXRHVZSLYVYUQM-ZZXKWVIFSA-N	-1	0	315.347	-0.240	50	0		DBAARM
Cn1c2nc(N3CCCCCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000000334518	180760861	/nfs/dbraw/zinc/76/08/61/180760861.db2.gz	UKPALTGTNASZGB-UHFFFAOYSA-N	-1	0	321.337	-0.112	50	0		DBAARM
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)CC(=O)[O-]	ZINC000002560850	180935170	/nfs/dbraw/zinc/93/51/70/180935170.db2.gz	HRVFPOJTYAVLNC-QMMMGPOBSA-N	-1	0	317.342	-0.441	50	0		DBAARM
COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000003886453	181053105	/nfs/dbraw/zinc/05/31/05/181053105.db2.gz	YBWUYYVFHIGKPL-GZMMTYOYSA-N	-1	0	301.320	-0.096	50	0		DBAARM
COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000548218893	283770805	/nfs/dbraw/zinc/77/08/05/283770805.db2.gz	SAXRJTDUKLUXPU-QMMMGPOBSA-N	-1	0	321.307	-0.247	50	0		DBAARM
Cc1nc[nH]c1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-]	ZINC000091536643	193070601	/nfs/dbraw/zinc/07/06/01/193070601.db2.gz	MXOZNTJOEFKXSZ-SECBINFHSA-N	-1	0	306.322	-0.086	50	0		DBAARM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000002561175	374255664	/nfs/dbraw/zinc/25/56/64/374255664.db2.gz	OKWGNUOGLNFNEB-ONGXEEELSA-N	-1	0	310.306	-0.137	50	0		DBAARM
COc1cccc2c1OC[C@@H](NC(=O)Cn1[n-]nnc1=N)C2	ZINC000584902276	374244210	/nfs/dbraw/zinc/24/42/10/374244210.db2.gz	RKFJJHFNGLEEPG-VIFPVBQESA-N	-1	0	304.310	-0.786	50	0		DBAARM
CC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1	ZINC000021500731	182274691	/nfs/dbraw/zinc/27/46/91/182274691.db2.gz	QVGGIKOTVXGKEZ-JTQLQIEISA-N	-1	0	314.319	-0.504	50	0		DBAARM
CC1(C)O[C@@H]2[C@H](C(=O)[O-])O[C@H](n3cnc4c3ncnc4N)[C@H]2O1	ZINC000002478379	374281423	/nfs/dbraw/zinc/28/14/23/374281423.db2.gz	RRTBBKSJPNRFCG-SDCKUUTBSA-N	-1	0	321.293	-0.089	50	0		DBAARM
Cn1c2nc(N3CCCC3)n(CC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000011693971	374334082	/nfs/dbraw/zinc/33/40/82/374334082.db2.gz	PRNFCFZXXGCJRW-UHFFFAOYSA-N	-1	0	307.310	-0.882	50	0		DBAARM
C[C@H](O)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC000013654785	374355246	/nfs/dbraw/zinc/35/52/46/374355246.db2.gz	OPKGPTCVHCATKD-JVXZTZIISA-N	-1	0	305.290	-0.584	50	0		DBAARM
COC(=O)Cc1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1	ZINC000127109579	374367971	/nfs/dbraw/zinc/36/79/71/374367971.db2.gz	FHWBDYAILGMADP-UHFFFAOYSA-N	-1	0	311.323	-0.274	50	0		DBAARM
Cn1nccc1C(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C	ZINC000095385577	374837470	/nfs/dbraw/zinc/83/74/70/374837470.db2.gz	MATIMMZQFSPBJC-JTQLQIEISA-N	-1	0	320.349	-0.042	50	0		DBAARM
CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])o1	ZINC000262704033	375073733	/nfs/dbraw/zinc/07/37/33/375073733.db2.gz	MABJUFYKEMNJGD-ZETCQYMHSA-N	-1	0	302.308	-0.123	50	0		DBAARM
CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])s1	ZINC000262737466	375140388	/nfs/dbraw/zinc/14/03/88/375140388.db2.gz	IPQFSZAVKMYGIY-HTQZYQBOSA-N	-1	0	318.376	-0.007	50	0		DBAARM
CCN(C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O	ZINC000262381291	375149344	/nfs/dbraw/zinc/14/93/44/375149344.db2.gz	INLOYOCUNYXOHY-WDEREUQCSA-N	-1	0	318.395	-0.020	50	0		DBAARM
CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000032917681	182680139	/nfs/dbraw/zinc/68/01/39/182680139.db2.gz	QLVKEYNFSXCNAV-UHFFFAOYSA-N	-1	0	300.292	-0.277	50	0		DBAARM
CC(C)(C)c1cc(CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)[nH]n1	ZINC000215965237	376554653	/nfs/dbraw/zinc/55/46/53/376554653.db2.gz	ILPUHBKPOYHVHO-UHFFFAOYSA-N	-1	0	305.338	-0.057	50	0		DBAARM
Cc1onc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c1CO	ZINC000223310972	376723365	/nfs/dbraw/zinc/72/33/65/376723365.db2.gz	WWLJJWRIBDJDQF-ZJUUUORDSA-N	-1	0	314.294	-0.536	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000262441535	376929203	/nfs/dbraw/zinc/92/92/03/376929203.db2.gz	NLBOASYMDOSVPD-SNVBAGLBSA-N	-1	0	322.383	-0.640	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000262487813	376962347	/nfs/dbraw/zinc/96/23/47/376962347.db2.gz	LMVGEKIHUFXNBN-JQWIXIFHSA-N	-1	0	322.317	-0.060	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCO1	ZINC000262984961	377106555	/nfs/dbraw/zinc/10/65/55/377106555.db2.gz	NNKFWNICLFYNFG-NSHDSACASA-N	-1	0	317.305	-0.348	50	0		DBAARM
CS(=O)(=O)[N-]C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	ZINC000040544024	183099070	/nfs/dbraw/zinc/09/90/70/183099070.db2.gz	AWEUGBKOMDDUNS-JTQLQIEISA-N	-1	0	310.335	-0.818	50	0		DBAARM
CS(=O)(=O)N1CCN(C(=O)N2CCCC2)C[C@@H](C(=O)[O-])C1	ZINC000097813605	378445512	/nfs/dbraw/zinc/44/55/12/378445512.db2.gz	GVWMBOXLFLTLOZ-SNVBAGLBSA-N	-1	0	319.383	-0.520	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000036974671	380707107	/nfs/dbraw/zinc/70/71/07/380707107.db2.gz	JLTYFDZGRRLPDJ-UWVGGRQHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
COCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000225559363	381061101	/nfs/dbraw/zinc/06/11/01/381061101.db2.gz	BVVGXHISTAULTJ-OPRDCNLKSA-N	-1	0	305.352	-0.631	50	0		DBAARM
COc1ccc2cnn(CC(=O)NCC(=O)[O-])c(=O)c2c1OC	ZINC000061720058	184185252	/nfs/dbraw/zinc/18/52/52/184185252.db2.gz	POMHNGVBFNEFFB-UHFFFAOYSA-N	-1	0	321.289	-0.386	50	0		DBAARM
CC(C)Oc1cc(NCCn2[n-]c(=O)ccc2=O)nc(N)n1	ZINC000065372019	184330035	/nfs/dbraw/zinc/33/00/35/184330035.db2.gz	JMZDDBYEWKSCOM-UHFFFAOYSA-N	-1	0	306.326	-0.192	50	0		DBAARM
CCS(=O)(=O)NC[C@H](C)[NH2+]CCc1nc(N)cc(=O)[nH]1	ZINC000584899014	382346249	/nfs/dbraw/zinc/34/62/49/382346249.db2.gz	KSNHEKQAJSHCTF-QMMMGPOBSA-N	-1	0	303.388	-0.776	50	0		DBAARM
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000008765235	382667739	/nfs/dbraw/zinc/66/77/39/382667739.db2.gz	GNIQROQYKATZJE-PELKAZGASA-N	-1	0	317.301	-0.488	50	0	biogenic	DBAARM
CS(=O)(=O)n1c(N)nnc(Nc2ccc(C(=O)[O-])cc2)c1=N	ZINC000039929509	382676328	/nfs/dbraw/zinc/67/63/28/382676328.db2.gz	NYXOJYDBGOSDHR-UHFFFAOYSA-N	-1	0	324.322	-0.411	50	0		DBAARM
O=C([O-])CN(C(=O)CN1CSCC1=O)C1CCOCC1	ZINC000532602107	382680779	/nfs/dbraw/zinc/68/07/79/382680779.db2.gz	NMSRUARIACGURT-UHFFFAOYSA-N	-1	0	302.352	-0.389	50	0		DBAARM
Cn1cc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000268949389	257256722	/nfs/dbraw/zinc/25/67/22/257256722.db2.gz	RHENFNNEAKUEEH-XUIVZRPNSA-N	-1	0	321.333	-0.437	50	0		DBAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000101163735	392524646	/nfs/dbraw/zinc/52/46/46/392524646.db2.gz	NBIJWBIYEALZSO-ZYHUDNBSSA-N	-1	0	315.285	-0.064	50	0		DBAARM
CN1CCC[C@@]2(CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)C1=O	ZINC000091679954	392486374	/nfs/dbraw/zinc/48/63/74/392486374.db2.gz	UXAYHMDDBIQCLR-HNNXBMFYSA-N	-1	0	320.349	-0.511	50	0		DBAARM
Cc1c(C)n2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)n1C	ZINC000012296405	392831942	/nfs/dbraw/zinc/83/19/42/392831942.db2.gz	UHCIHHIXQSSIJA-UHFFFAOYSA-N	-1	0	305.294	-0.612	50	0	biogenic	DBAARM
Cc1oc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O	ZINC000263251364	392891302	/nfs/dbraw/zinc/89/13/02/392891302.db2.gz	DXPBYXHLMCOJNQ-SSDOTTSWSA-N	-1	0	302.308	-0.075	50	0		DBAARM
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC000216982571	288430468	/nfs/dbraw/zinc/43/04/68/288430468.db2.gz	QLKGHJCDZTUTIH-AWEZNQCLSA-N	-1	0	309.322	-0.209	50	0		DBAARM
COCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000037828015	292399008	/nfs/dbraw/zinc/39/90/08/292399008.db2.gz	BVVGXHISTAULTJ-AEJSXWLSSA-N	-1	0	305.352	-0.631	50	0		DBAARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])CC(=O)[O-]	ZINC000048365627	411792270	/nfs/dbraw/zinc/79/22/70/411792270.db2.gz	RFTIEPCCHWFJFI-UHFFFAOYSA-N	-1	0	316.335	-0.273	50	0		DBAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCS(=O)(=O)N1	ZINC000652050655	411752846	/nfs/dbraw/zinc/75/28/46/411752846.db2.gz	IZXDUALHEFKPEX-WDEREUQCSA-N	-1	0	312.347	-0.510	50	0		DBAARM
Cc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1	ZINC000095348600	412433865	/nfs/dbraw/zinc/43/38/65/412433865.db2.gz	YBKZREYIEKBUDN-UHFFFAOYSA-N	-1	0	310.335	-0.412	50	0		DBAARM
Cn1cc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000492171273	266155635	/nfs/dbraw/zinc/15/56/35/266155635.db2.gz	RHENFNNEAKUEEH-ZADCQDASSA-N	-1	0	321.333	-0.437	50	0		DBAARM
CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000299748009	526678068	/nfs/dbraw/zinc/67/80/68/526678068.db2.gz	FULNWSCOOMFEML-NXEZZACHSA-N	-1	0	302.352	-0.390	50	0		DBAARM
CCn1cc(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)cn1	ZINC000071440083	563499673	/nfs/dbraw/zinc/49/96/73/563499673.db2.gz	RIWRHMILKDULFI-UHFFFAOYSA-N	-1	0	303.340	-0.497	50	0		DBAARM
COC(=O)c1c(NC(=O)c2c(C(=O)[O-])cnn2C)cnn1C	ZINC000020617035	803751563	/nfs/dbraw/zinc/75/15/63/803751563.db2.gz	VZDUPMBMHYLGSF-UHFFFAOYSA-N	-1	0	307.266	-0.109	50	0		DBAARM
CC[NH+]1CCN(CC(=O)NCCc2nc(N)cc(=O)[nH]2)CC1	ZINC000823112904	805225075	/nfs/dbraw/zinc/22/50/75/805225075.db2.gz	OJHLKYYZHWVNIF-UHFFFAOYSA-N	-1	0	308.386	-0.939	50	0		DBAARM
COc1cc2c(cc1OC)CN(C(=O)Cn1[n-]nnc1=N)CC2	ZINC000824616742	805261103	/nfs/dbraw/zinc/26/11/03/805261103.db2.gz	VBGJSSATFAEYBP-UHFFFAOYSA-N	-1	0	318.337	-0.312	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NCCc1cnn(-c2ccccc2)c1	ZINC000827864067	805354574	/nfs/dbraw/zinc/35/45/74/805354574.db2.gz	PNVIKKGAJGIVHA-UHFFFAOYSA-N	-1	0	312.337	-0.370	50	0		DBAARM
O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)COc1cccnc1	ZINC000828034715	805361326	/nfs/dbraw/zinc/36/13/26/805361326.db2.gz	QNINRKVAABVHLT-NEPJUHHUSA-N	-1	0	310.306	-0.165	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCCN(Cc2ccccn2)CC1	ZINC000952970093	809012095	/nfs/dbraw/zinc/01/20/95/809012095.db2.gz	RONMTHAEUOZZJM-UHFFFAOYSA-N	-1	0	316.369	-0.785	50	0		DBAARM
Cc1nc(N(C)C)ncc1C(=O)NCCC(=O)NCC(=O)[O-]	ZINC000095529087	185378399	/nfs/dbraw/zinc/37/83/99/185378399.db2.gz	VCBSSURVHWXQCE-UHFFFAOYSA-N	-1	0	309.326	-0.828	50	0		DBAARM
Cc1cccc(=O)n1CCC(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC000071754263	191024717	/nfs/dbraw/zinc/02/47/17/191024717.db2.gz	OVEHERVTCRIZBG-UHFFFAOYSA-N	-1	0	308.334	-0.015	50	0		DBAARM
CN(C)S(=O)(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1	ZINC000072419390	191156498	/nfs/dbraw/zinc/15/64/98/191156498.db2.gz	VFMZDACAOOGLBP-UHFFFAOYSA-N	-1	0	316.383	-0.088	50	0		DBAARM
COc1ccccc1NC(=O)/C=c1\[nH]c(=O)/c(=C\C(=O)[O-])s1	ZINC000005242801	181220270	/nfs/dbraw/zinc/22/02/70/181220270.db2.gz	WPZCMJVCZGRILD-QXZILWSFSA-N	-1	0	320.326	-0.271	50	0		DBAARM
COc1cccc(NC(=O)/C=c2\[nH]c(=O)/c(=C\C(=O)[O-])s2)c1	ZINC000005242799	181220760	/nfs/dbraw/zinc/22/07/60/181220760.db2.gz	VRXPFKSIWIDHPY-QXZILWSFSA-N	-1	0	320.326	-0.271	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1c(=O)[nH]c2ccccc21	ZINC000262459053	304134700	/nfs/dbraw/zinc/13/47/00/304134700.db2.gz	IEZGRQWJGBAYPP-NSHDSACASA-N	-1	0	305.290	-0.358	50	0		DBAARM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC000263366384	297340627	/nfs/dbraw/zinc/34/06/27/297340627.db2.gz	UACXOCCOJNPPDD-BDAKNGLRSA-N	-1	0	311.338	-0.114	50	0		DBAARM
COC(=O)CSc1nn2c([n-]1)nc(CC(=O)OC)cc2=O	ZINC000018077412	182091989	/nfs/dbraw/zinc/09/19/89/182091989.db2.gz	VYIUHXNJXXPOII-UHFFFAOYSA-N	-1	0	312.307	-0.190	50	0		DBAARM
C[C@@H](O)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC000013552850	374354193	/nfs/dbraw/zinc/35/41/93/374354193.db2.gz	OPKGPTCVHCATKD-KRTXAFLBSA-N	-1	0	305.290	-0.172	50	0		DBAARM
Nc1no[n+]([O-])c1C(=O)NC[C@@H](CC(=O)[O-])c1ccccc1	ZINC000004625586	374608924	/nfs/dbraw/zinc/60/89/24/374608924.db2.gz	RKWIVQIJVHDWRA-SECBINFHSA-N	-1	0	306.278	-0.122	50	0		DBAARM
O=C([O-])c1csc(CNC(=O)CN2CSCC2=O)n1	ZINC000090932315	374797988	/nfs/dbraw/zinc/79/79/88/374797988.db2.gz	SDSATERVUNSUDS-UHFFFAOYSA-N	-1	0	301.349	-0.010	50	0		DBAARM
O=C([O-])Cn1nc(C2CCOCC2)nc1C[C@H]1NC(=O)NC1=O	ZINC000097136844	374865126	/nfs/dbraw/zinc/86/51/26/374865126.db2.gz	NPEDEZCFXBFHHI-MRVPVSSYSA-N	-1	0	323.309	-0.993	50	0		DBAARM
O=C([O-])c1cccc(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000013341656	375507947	/nfs/dbraw/zinc/50/79/47/375507947.db2.gz	FQZLORBETUOFRK-UHFFFAOYSA-N	-1	0	314.363	-0.005	50	0		DBAARM
COC(=O)CNC(=O)Cc1csc([N-]S(C)(=O)=O)n1	ZINC000012324120	376584972	/nfs/dbraw/zinc/58/49/72/376584972.db2.gz	SFHONXDNMLVNBO-UHFFFAOYSA-N	-1	0	307.353	-0.654	50	0		DBAARM
Nc1cc(N2CCN(Cc3ncc[nH]3)C[C@H](C(=O)[O-])C2)ncn1	ZINC000225323683	376759566	/nfs/dbraw/zinc/75/95/66/376759566.db2.gz	GFEVHIYNTDWZMQ-JTQLQIEISA-N	-1	0	317.353	-0.195	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1	ZINC000262423132	376915655	/nfs/dbraw/zinc/91/56/55/376915655.db2.gz	CYIPJXNXQLKLRY-NSHDSACASA-N	-1	0	317.305	-0.348	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cn1nnc(-c2ccccc2)n1	ZINC000262423130	376917516	/nfs/dbraw/zinc/91/75/16/376917516.db2.gz	CYIPJXNXQLKLRY-LLVKDONJSA-N	-1	0	317.305	-0.348	50	0		DBAARM
CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262924692	377281625	/nfs/dbraw/zinc/28/16/25/377281625.db2.gz	ZRRUAIAALCHYCV-QWRGUYRKSA-N	-1	0	312.347	-0.068	50	0		DBAARM
CCOc1ccncc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1=O	ZINC000296003918	378016858	/nfs/dbraw/zinc/01/68/58/378016858.db2.gz	MGWZSRLSLAIYBC-QMMMGPOBSA-N	-1	0	313.335	-0.484	50	0		DBAARM
CN(C)S(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1	ZINC000299755767	378050408	/nfs/dbraw/zinc/05/04/08/378050408.db2.gz	CQHNGGSSFDJTSD-DTWKUNHWSA-N	-1	0	317.371	-0.888	50	0		DBAARM
Cn1nccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000328835045	378188681	/nfs/dbraw/zinc/18/86/81/378188681.db2.gz	MFJWNUURDYXVGE-UHFFFAOYSA-N	-1	0	312.355	-0.188	50	0		DBAARM
CC(C)(C)OC(=O)N1CC[C@@H](NN)C[C@@H]1OC(=O)C(=O)[O-]	ZINC000328578036	378445252	/nfs/dbraw/zinc/44/52/52/378445252.db2.gz	LRADDXSGZQUBNM-SFYZADRCSA-N	-1	0	303.315	-0.197	50	0		DBAARM
CN(CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)S(C)(=O)=O	ZINC000262152269	380171851	/nfs/dbraw/zinc/17/18/51/380171851.db2.gz	BSIUVZYYRBRWQI-JTQLQIEISA-N	-1	0	306.384	-0.019	50	0		DBAARM
O=C([O-])[C@H]1CCCCN1C(=O)Cn1nc2ccccn2c1=O	ZINC000238044228	381060723	/nfs/dbraw/zinc/06/07/23/381060723.db2.gz	CTHLXHWLRZWWIB-SNVBAGLBSA-N	-1	0	304.306	-0.038	50	0		DBAARM
Cc1ncc(CO)c([C@@H]2N[C@@H](C(=O)[O-])Cc3[nH]cnc32)c1O	ZINC000002130264	381096349	/nfs/dbraw/zinc/09/63/49/381096349.db2.gz	KLRREKPIQIQROK-SKDRFNHKSA-N	-1	0	304.306	-0.001	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC000037435331	381369579	/nfs/dbraw/zinc/36/95/79/381369579.db2.gz	ZNJFAFGTTQGGOQ-NXEZZACHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
O=C([O-])[C@@H]1CC(=O)N(CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000065383313	184332423	/nfs/dbraw/zinc/33/24/23/184332423.db2.gz	ANPWRWQNRFNEOJ-SECBINFHSA-N	-1	0	317.301	-0.377	50	0		DBAARM
O=C([O-])[C@@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000298282636	382213808	/nfs/dbraw/zinc/21/38/08/382213808.db2.gz	KMUUPHKHHBOQBV-SNVBAGLBSA-N	-1	0	304.306	-0.181	50	0		DBAARM
COC(=O)c1c(OC)c(=O)c(C(=O)[O-])cn1CC(OC)OC	ZINC000118844009	382250561	/nfs/dbraw/zinc/25/05/61/382250561.db2.gz	XAXGEECGULRZGN-UHFFFAOYSA-N	-1	0	315.278	-0.039	50	0		DBAARM
Cc1nc2ncc(C(=O)N[C@H]3CCc4c[nH]nc4C3)c(=O)n2[n-]1	ZINC000584890052	382346127	/nfs/dbraw/zinc/34/61/27/382346127.db2.gz	SDVXSDCQFPRDNM-VIFPVBQESA-N	-1	0	313.321	-0.264	50	0		DBAARM
O=C([O-])CNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O	ZINC000002444490	382561027	/nfs/dbraw/zinc/56/10/27/382561027.db2.gz	YHRYQJYXGKJMBI-UHFFFAOYSA-N	-1	0	305.290	-0.329	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000162190538	382627956	/nfs/dbraw/zinc/62/79/56/382627956.db2.gz	JLTYFDZGRRLPDJ-ZJUUUORDSA-N	-1	0	304.368	-0.266	50	0		DBAARM
C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(=O)N1CCc2ccccc21	ZINC000069628713	382686060	/nfs/dbraw/zinc/68/60/60/382686060.db2.gz	DWBMLBWIWQERRH-QMMMGPOBSA-N	-1	0	301.306	-0.194	50	0		DBAARM
Cn1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1	ZINC000009335960	382692799	/nfs/dbraw/zinc/69/27/99/382692799.db2.gz	BUVCLXIZKSADFB-UHFFFAOYSA-N	-1	0	316.364	-0.132	50	0		DBAARM
Cn1cnc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1	ZINC000009761524	382695141	/nfs/dbraw/zinc/69/51/41/382695141.db2.gz	KMZDPNZYMVCSAU-UHFFFAOYSA-N	-1	0	316.364	-0.132	50	0		DBAARM
C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC000269166995	256625148	/nfs/dbraw/zinc/62/51/48/256625148.db2.gz	FUPOVHOBDROVQD-XLKFXECMSA-N	-1	0	309.322	-0.360	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cn1cnc2ccccc2c1=O	ZINC000268995118	392387788	/nfs/dbraw/zinc/38/77/88/392387788.db2.gz	VOHRTSPMWYOQID-GFCCVEGCSA-N	-1	0	317.301	-0.292	50	0		DBAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000101163738	392523948	/nfs/dbraw/zinc/52/39/48/392523948.db2.gz	NBIJWBIYEALZSO-PWSUYJOCSA-N	-1	0	315.285	-0.064	50	0		DBAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC[C@H](c2cc[nH]n2)C1	ZINC000215802049	392830408	/nfs/dbraw/zinc/83/04/08/392830408.db2.gz	CRHRNMZJYVNUTQ-VIFPVBQESA-N	-1	0	303.322	-0.265	50	0		DBAARM
COCCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000049606773	411800348	/nfs/dbraw/zinc/80/03/48/411800348.db2.gz	QTURHKPUBSBRJT-JTQLQIEISA-N	-1	0	322.383	-0.782	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1	ZINC000681943714	544988748	/nfs/dbraw/zinc/98/87/48/544988748.db2.gz	NTVPHAGIBINUKS-NWDGAFQWSA-N	-1	0	314.338	-0.817	50	0		DBAARM
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc(N)ncn1)CC2	ZINC000092028477	332117879	/nfs/dbraw/zinc/11/78/79/332117879.db2.gz	QLJDOBGQJFTAMU-VIFPVBQESA-N	-1	0	305.338	-0.039	50	0		DBAARM
NC(=O)Cc1ccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1	ZINC000299748263	534368737	/nfs/dbraw/zinc/36/87/37/534368737.db2.gz	GQHYHIBNKIRTGQ-LBPRGKRZSA-N	-1	0	322.317	-0.595	50	0		DBAARM
C[C@H](CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)CC(=O)[O-]	ZINC000157930413	524450227	/nfs/dbraw/zinc/45/02/27/524450227.db2.gz	OBNFFSGGUPJPAC-UWVGGRQHSA-N	-1	0	306.384	-0.115	50	0		DBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000299748010	526678871	/nfs/dbraw/zinc/67/88/71/526678871.db2.gz	FULNWSCOOMFEML-UWVGGRQHSA-N	-1	0	302.352	-0.390	50	0		DBAARM
Cn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21	ZINC000262757252	597376879	/nfs/dbraw/zinc/37/68/79/597376879.db2.gz	JUGJLZPDXGYRBC-LLVKDONJSA-N	-1	0	305.290	-0.208	50	0		DBAARM
COc1cc2c(c(OC)c1)S(=O)(=O)N(CC(=O)[O-])C2=O	ZINC000843302521	805616601	/nfs/dbraw/zinc/61/66/01/805616601.db2.gz	ONNDQVXQQAXTAS-UHFFFAOYSA-N	-1	0	301.276	-0.067	50	0		DBAARM
O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1NC(=O)NC1=O	ZINC000864096717	806390668	/nfs/dbraw/zinc/39/06/68/806390668.db2.gz	CHDOPVHTHOOZEQ-JQWIXIFHSA-N	-1	0	317.301	-0.205	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCC(OCc2ccccn2)CC1	ZINC000952985262	809012530	/nfs/dbraw/zinc/01/25/30/809012530.db2.gz	UNLGLKJHLRZYFA-UHFFFAOYSA-N	-1	0	317.353	-0.312	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NCCc1noc(-c2ccccc2)n1	ZINC001506415652	1019842630	/nfs/dbraw/zinc/84/26/30/1019842630.db2.gz	ALCVNZWLEHNZKA-UHFFFAOYSA-N	-1	0	314.309	-0.505	50	0		DBAARM
COc1ccc2[nH]cc(CCNC(=O)Cn3[n-]nnc3=N)c2c1	ZINC001506424781	1019842676	/nfs/dbraw/zinc/84/26/76/1019842676.db2.gz	NBIUUUPHESSZQF-UHFFFAOYSA-N	-1	0	315.337	-0.066	50	0		DBAARM
Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1	ZINC000001579648	180875038	/nfs/dbraw/zinc/87/50/38/180875038.db2.gz	YDNYEJZZJXFADP-JTQLQIEISA-N	-1	0	300.336	-0.008	50	0		DBAARM
CCCCN1C(=O)[N-]C(=O)/C(=C(\C)NN2CCN(C)CC2)C1=O	ZINC000005085634	181202429	/nfs/dbraw/zinc/20/24/29/181202429.db2.gz	GIMAIWWVYYEEPZ-QXMHVHEDSA-N	-1	0	323.397	-0.109	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1C1CC1	ZINC000091390870	193049211	/nfs/dbraw/zinc/04/92/11/193049211.db2.gz	MBZJKPVFAKDKQK-WDEREUQCSA-N	-1	0	321.333	-0.504	50	0		DBAARM
O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)CCc1cn[nH]c1)CC2	ZINC000091390875	193049408	/nfs/dbraw/zinc/04/94/08/193049408.db2.gz	JAUWBIBQWBKQPW-LLVKDONJSA-N	-1	0	320.349	-0.076	50	0		DBAARM
CNC(=O)c1cc(S(=O)(=O)N(C)CC(=O)[O-])ccc1OC	ZINC000016624961	182054132	/nfs/dbraw/zinc/05/41/32/182054132.db2.gz	HELSPBASORMWIU-UHFFFAOYSA-N	-1	0	316.335	-0.240	50	0		DBAARM
COc1cc2[n-]c(O)c(C(=O)NCCO)c(=O)c2cc1OC	ZINC000016977136	182067294	/nfs/dbraw/zinc/06/72/94/182067294.db2.gz	FIPZVSKUXNGVOH-UHFFFAOYSA-N	-1	0	308.290	-0.027	50	0	biogenic	DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000017823172	182086274	/nfs/dbraw/zinc/08/62/74/182086274.db2.gz	KBJMFMOBQVOSQL-NXEZZACHSA-N	-1	0	303.274	-0.315	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCC(Oc2ccncc2)CC1	ZINC000584887029	374277177	/nfs/dbraw/zinc/27/71/77/374277177.db2.gz	UUXDZRMLIIZGLC-UHFFFAOYSA-N	-1	0	303.326	-0.449	50	0		DBAARM
COCCNC(=O)Cn1cnc2oc(C)c(C(=O)[O-])c2c1=O	ZINC000013056490	374351776	/nfs/dbraw/zinc/35/17/76/374351776.db2.gz	ANOFGDSFHXZWPI-UHFFFAOYSA-N	-1	0	309.278	-0.241	50	0		DBAARM
Cn1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)cn1	ZINC000072275692	374414711	/nfs/dbraw/zinc/41/47/11/374414711.db2.gz	MSDZUFIYAQFIAR-JSGCOSHPSA-N	-1	0	322.365	-0.274	50	0		DBAARM
Cc1oc(C(=O)N(CC(=O)[O-])C2CC2)cc1S(N)(=O)=O	ZINC000268937326	374422203	/nfs/dbraw/zinc/42/22/03/374422203.db2.gz	HJFZDLDNEAVVAA-UHFFFAOYSA-N	-1	0	302.308	-0.075	50	0		DBAARM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000036182553	374475064	/nfs/dbraw/zinc/47/50/64/374475064.db2.gz	YZZUECJXXOJBMK-ZETCQYMHSA-N	-1	0	306.369	-0.046	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000043701223	374615349	/nfs/dbraw/zinc/61/53/49/374615349.db2.gz	CAMZCGLLGVHZHS-UWVGGRQHSA-N	-1	0	320.367	-0.888	50	0		DBAARM
O=C([O-])[C@H]1CN(Cc2ncccn2)CCN(C(=O)CCO)C1	ZINC000097463717	374869651	/nfs/dbraw/zinc/86/96/51/374869651.db2.gz	QFBBVVAYLNPVRJ-NSHDSACASA-N	-1	0	308.338	-0.796	50	0		DBAARM
O=C([O-])Cn1nc(C2CCCC2)nc1C[C@H]1NC(=O)NC1=O	ZINC000097514907	374870090	/nfs/dbraw/zinc/87/00/90/374870090.db2.gz	AJJYSZAETRZZDA-MRVPVSSYSA-N	-1	0	307.310	-0.229	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000100544199	374885995	/nfs/dbraw/zinc/88/59/95/374885995.db2.gz	PPODHPANTJLWHP-ZJUUUORDSA-N	-1	0	303.274	-0.315	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2nnc3ccccc3c2=O)CCO1	ZINC000362573381	375018743	/nfs/dbraw/zinc/01/87/43/375018743.db2.gz	RVCZIBYENRNSBO-LLVKDONJSA-N	-1	0	318.289	-0.897	50	0		DBAARM
COC(=O)c1ccc(C(=O)CC2(O)C(=O)[N-]C(=O)NC2=O)cc1	ZINC000226795350	375087297	/nfs/dbraw/zinc/08/72/97/375087297.db2.gz	ORUCJFPANBHVDS-UHFFFAOYSA-N	-1	0	320.257	-0.857	50	0		DBAARM
CCN(C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O	ZINC000262381285	375148634	/nfs/dbraw/zinc/14/86/34/375148634.db2.gz	INLOYOCUNYXOHY-GHMZBOCLSA-N	-1	0	318.395	-0.020	50	0		DBAARM
O=C([O-])[C@H]1CCCN(C(=O)CCN2CCCS2(=O)=O)C1	ZINC000262419098	375203186	/nfs/dbraw/zinc/20/31/86/375203186.db2.gz	KOIRQJSSXXBVJZ-JTQLQIEISA-N	-1	0	304.368	-0.265	50	0		DBAARM
COC(=O)CSc1nn2c([n-]1)nc(CC(=O)OC)cc2=O	ZINC000100137568	193795432	/nfs/dbraw/zinc/79/54/32/193795432.db2.gz	GVXSEEZAOXKTDL-UHFFFAOYSA-N	-1	0	312.307	-0.602	50	0		DBAARM
O=C([O-])Cn1cc(CNC(=O)c2cnn3c2CCCC3)nn1	ZINC000262763895	375469716	/nfs/dbraw/zinc/46/97/16/375469716.db2.gz	GBKKTKDEHLGVSJ-UHFFFAOYSA-N	-1	0	304.310	-0.175	50	0		DBAARM
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)[O-]	ZINC000262357592	377274357	/nfs/dbraw/zinc/27/43/57/377274357.db2.gz	JQIZOSPFZJRYCB-UHFFFAOYSA-N	-1	0	322.364	-0.700	50	0		DBAARM
Cn1c(=O)[nH]c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc21	ZINC000262743121	377278727	/nfs/dbraw/zinc/27/87/27/377278727.db2.gz	HDQUZEDDFAXTLG-NSHDSACASA-N	-1	0	305.290	-0.208	50	0		DBAARM
Cn1ccnc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1	ZINC000299772702	378051257	/nfs/dbraw/zinc/05/12/57/378051257.db2.gz	BMLLXPOCEAEDTM-DTWKUNHWSA-N	-1	0	304.310	-0.131	50	0		DBAARM
O=C([O-])C[C@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1cn[nH]n1	ZINC000299771503	378052380	/nfs/dbraw/zinc/05/23/80/378052380.db2.gz	PNXRSUCJJGBMRL-IONNQARKSA-N	-1	0	300.340	-0.213	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000218273934	381060634	/nfs/dbraw/zinc/06/06/34/381060634.db2.gz	ORSSQZAKKPHCPR-NXEZZACHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1nnn(C)n1	ZINC000229773280	382646468	/nfs/dbraw/zinc/64/64/68/382646468.db2.gz	YLFJCUIKRWNESF-UHFFFAOYSA-N	-1	0	315.286	-0.063	50	0		DBAARM
CC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1	ZINC000020005095	256527937	/nfs/dbraw/zinc/52/79/37/256527937.db2.gz	OEXWAECXFKHOFE-JTQLQIEISA-N	-1	0	314.319	-0.504	50	0		DBAARM
CSC[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)[O-]	ZINC000426563146	257245745	/nfs/dbraw/zinc/24/57/45/257245745.db2.gz	LAKVGEUWFRKRTF-LURJTMIESA-N	-1	0	303.340	-0.751	50	0		DBAARM
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cnn2cc(CCO)cnc12	ZINC000426584814	257246252	/nfs/dbraw/zinc/24/62/52/257246252.db2.gz	PHNWJURJDKUEPQ-MGCOHNPYSA-N	-1	0	304.306	-0.143	50	0		DBAARM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O	ZINC000269166980	392415399	/nfs/dbraw/zinc/41/53/99/392415399.db2.gz	FUPOVHOBDROVQD-CLAHSXSESA-N	-1	0	309.322	-0.360	50	0		DBAARM
CC(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC000269635516	392421800	/nfs/dbraw/zinc/42/18/00/392421800.db2.gz	MVUQYVHPZXPENE-IINYFYTJSA-N	-1	0	311.338	-0.068	50	0		DBAARM
COCCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000049606772	411800115	/nfs/dbraw/zinc/80/01/15/411800115.db2.gz	QTURHKPUBSBRJT-SNVBAGLBSA-N	-1	0	322.383	-0.782	50	0		DBAARM
CC(=O)N1C[C@@H]2CN(C(=O)Cc3cc(C)no3)C[C@]2(C(=O)[O-])C1	ZINC000091321834	544602645	/nfs/dbraw/zinc/60/26/45/544602645.db2.gz	IWNJPHBIPULDGH-IAQYHMDHSA-N	-1	0	321.333	-0.083	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000091292719	544602877	/nfs/dbraw/zinc/60/28/77/544602877.db2.gz	SZBVVPSPTWBOBB-ZJUUUORDSA-N	-1	0	320.367	-0.888	50	0		DBAARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@H](Cc1ccccc1)n1cnnn1	ZINC000670472366	544708845	/nfs/dbraw/zinc/70/88/45/544708845.db2.gz	ZBCMUYJUGIAPSV-JTQLQIEISA-N	-1	0	314.309	-0.403	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1	ZINC000681943119	544988331	/nfs/dbraw/zinc/98/83/31/544988331.db2.gz	SVWQHKUSCYVYJI-NEPJUHHUSA-N	-1	0	314.338	-0.674	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1	ZINC000681943125	544988741	/nfs/dbraw/zinc/98/87/41/544988741.db2.gz	SVWQHKUSCYVYJI-NWDGAFQWSA-N	-1	0	314.338	-0.674	50	0		DBAARM
Cn1cc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000492171272	266155104	/nfs/dbraw/zinc/15/51/04/266155104.db2.gz	RHENFNNEAKUEEH-JMEBYUIHSA-N	-1	0	321.333	-0.437	50	0		DBAARM
CC(C)(C)OC(=O)N1CC[C@H](NN)C[C@H]1OC(=O)C(=O)[O-]	ZINC000328578035	278410578	/nfs/dbraw/zinc/41/05/78/278410578.db2.gz	LRADDXSGZQUBNM-JGVFFNPUSA-N	-1	0	303.315	-0.197	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062118766	295516243	/nfs/dbraw/zinc/51/62/43/295516243.db2.gz	ORSSQZAKKPHCPR-UWVGGRQHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
C[C@H](C(=O)[O-])n1c(Br)nc2c1c(=O)[nH]c(=O)n2C	ZINC000000039818	298219153	/nfs/dbraw/zinc/21/91/53/298219153.db2.gz	WYZJSDYUWLBIIB-GSVOUGTGSA-N	-1	0	317.099	-0.169	50	0		DBAARM
C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C[C@H](C)O1	ZINC000035680406	300282376	/nfs/dbraw/zinc/28/23/76/300282376.db2.gz	SFKXLEVEXICQOW-QWRGUYRKSA-N	-1	0	321.399	-0.957	50	0		DBAARM
O=C([O-])CCC(=O)N1CCCO[C@H](CN2CCOCC2)C1	ZINC000534592145	334294588	/nfs/dbraw/zinc/29/45/88/334294588.db2.gz	UIZJLRQLZHAIME-GFCCVEGCSA-N	-1	0	300.355	-0.199	50	0		DBAARM
O=C([O-])C1(n2cccn2)CCN(C(=O)CCn2cnnn2)CC1	ZINC000072407844	563503192	/nfs/dbraw/zinc/50/31/92/563503192.db2.gz	USVMXIJBUNZODB-UHFFFAOYSA-N	-1	0	319.325	-0.638	50	0		DBAARM
O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000819142317	597271418	/nfs/dbraw/zinc/27/14/18/597271418.db2.gz	XBCNGCMXZHANNP-ONGXEEELSA-N	-1	0	305.290	-0.083	50	0		DBAARM
O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000821396149	598166298	/nfs/dbraw/zinc/16/62/98/598166298.db2.gz	OGOHEVXKBBWHOX-VHSXEESVSA-N	-1	0	305.290	-0.603	50	0		DBAARM
CC[C@@H](CS(=O)(=O)[N-]c1cccnc1S(N)(=O)=O)OC	ZINC000585129652	803878195	/nfs/dbraw/zinc/87/81/95/803878195.db2.gz	QLNQCBCQPYTNEV-QMMMGPOBSA-N	-1	0	323.396	-0.104	50	0		DBAARM
Cc1nc(CCNC(=O)Cn2[n-]nnc2=N)nc2c1CCCC2	ZINC000952977172	809012612	/nfs/dbraw/zinc/01/26/12/809012612.db2.gz	ABHIVWDMMYXRDD-UHFFFAOYSA-N	-1	0	316.369	-0.578	50	0		DBAARM
C[C@@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-]	ZINC001506398884	1019841033	/nfs/dbraw/zinc/84/10/33/1019841033.db2.gz	ZGGOKHVEIQDLFW-SECBINFHSA-N	-1	0	321.337	-0.515	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NC[C@H]1CCN(c2ccccc2F)C1	ZINC001506413088	1019841259	/nfs/dbraw/zinc/84/12/59/1019841259.db2.gz	GTEHAFQWRIFOPU-SNVBAGLBSA-N	-1	0	319.344	-0.133	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NCCc1noc(C2CCCC2)n1	ZINC001506425651	1019843677	/nfs/dbraw/zinc/84/36/77/1019843677.db2.gz	MMHYTRWKDFJSGO-UHFFFAOYSA-N	-1	0	306.330	-0.515	50	0		DBAARM
O=c1c(-n2ccnn2)c[n-]n1-c1cc(N2CCOCC2)ncn1	ZINC000167006010	197702081	/nfs/dbraw/zinc/70/20/81/197702081.db2.gz	IJMBOKOTALXLKS-UHFFFAOYSA-N	-1	0	314.309	-0.627	50	0	in-vitro	DBAARM
CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-]	ZINC000072314405	191121284	/nfs/dbraw/zinc/12/12/84/191121284.db2.gz	FBEQYBTZXJBEGX-ZETCQYMHSA-N	-1	0	309.326	-0.271	50	0		DBAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000001248064	180851442	/nfs/dbraw/zinc/85/14/42/180851442.db2.gz	ORVJASHGTGNBIK-JTQLQIEISA-N	-1	0	302.308	-0.631	50	0		DBAARM
CN(c1cccc(N)c1)S(=O)(=O)CCOS(=O)(=O)[O-]	ZINC000003199875	180991006	/nfs/dbraw/zinc/99/10/06/180991006.db2.gz	GSDVUONDNIGKID-UHFFFAOYSA-N	-1	0	310.353	-0.146	50	0		DBAARM
O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000004204353	181084404	/nfs/dbraw/zinc/08/44/04/181084404.db2.gz	PANIHRKSOILEGJ-VIFPVBQESA-N	-1	0	319.360	-0.150	50	0		DBAARM
Nc1no[n+]([O-])c1C(=O)NC[C@H](CC(=O)[O-])c1ccccc1	ZINC000004694695	181137561	/nfs/dbraw/zinc/13/75/61/181137561.db2.gz	RKWIVQIJVHDWRA-VIFPVBQESA-N	-1	0	306.278	-0.122	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000237645545	202315525	/nfs/dbraw/zinc/31/55/25/202315525.db2.gz	IOZFAWCWJKQVEM-AWEZNQCLSA-N	-1	0	304.306	-0.181	50	0		DBAARM
CC(C)CN1CCN(CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000091663787	193086443	/nfs/dbraw/zinc/08/64/43/193086443.db2.gz	YHNPZHAIHXHFLS-NEPJUHHUSA-N	-1	0	304.412	-0.100	50	0		DBAARM
Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])[nH]n1	ZINC000091724773	193097240	/nfs/dbraw/zinc/09/72/40/193097240.db2.gz	XFLCBMNMDSENBD-VIFPVBQESA-N	-1	0	306.322	-0.086	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000017994601	182089054	/nfs/dbraw/zinc/08/90/54/182089054.db2.gz	PPODHPANTJLWHP-VHSXEESVSA-N	-1	0	303.274	-0.315	50	0		DBAARM
COC(=O)c1nn(C)cc1NC(=O)c1nn(C)cc1C(=O)[O-]	ZINC000020616218	182239287	/nfs/dbraw/zinc/23/92/87/182239287.db2.gz	CZAJGZDWGMOGBN-UHFFFAOYSA-N	-1	0	307.266	-0.109	50	0		DBAARM
COc1cccc2c1OC[C@H](NC(=O)Cn1[n-]nnc1=N)C2	ZINC000584902275	374243349	/nfs/dbraw/zinc/24/33/49/374243349.db2.gz	RKFJJHFNGLEEPG-SECBINFHSA-N	-1	0	304.310	-0.786	50	0		DBAARM
Cn1c2nc(Br)n(CCC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000000039816	374714094	/nfs/dbraw/zinc/71/40/94/374714094.db2.gz	BSYNDTWJGJLIAB-UHFFFAOYSA-N	-1	0	317.099	-0.340	50	0		DBAARM
O=C([O-])[C@H]1CN(Cc2nccn2C2CC2)CCN(C(=O)CO)C1	ZINC000097636615	374874244	/nfs/dbraw/zinc/87/42/44/374874244.db2.gz	DUFQVDWWNITUAN-NSHDSACASA-N	-1	0	322.365	-0.445	50	0		DBAARM
COc1cc(NC(=O)COCC(=O)[O-])cc(-n2cnnn2)c1	ZINC000000214020	374956099	/nfs/dbraw/zinc/95/60/99/374956099.db2.gz	SPUOWBWBBLBLOA-UHFFFAOYSA-N	-1	0	307.266	-0.289	50	0		DBAARM
COc1cccc(C(=O)NCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1	ZINC000262830900	375210072	/nfs/dbraw/zinc/21/00/72/375210072.db2.gz	XPYFBRZJAJMOJQ-GFCCVEGCSA-N	-1	0	322.317	-0.263	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000036974669	182857481	/nfs/dbraw/zinc/85/74/81/182857481.db2.gz	JLTYFDZGRRLPDJ-VHSXEESVSA-N	-1	0	304.368	-0.266	50	0		DBAARM
Cn1c2ccc(CCC(=O)NCCC(=O)[O-])cc2[nH]c(=O)c1=O	ZINC000218169321	376603006	/nfs/dbraw/zinc/60/30/06/376603006.db2.gz	BAUCSMBCRDITCU-UHFFFAOYSA-N	-1	0	319.317	-0.250	50	0		DBAARM
COC(=O)CC(=Nc1ccc(C(=O)[O-])cc1)C(=O)NCCO	ZINC000012325051	376584912	/nfs/dbraw/zinc/58/49/12/376584912.db2.gz	KXOYEOVBUFIWSO-DHZHZOJOSA-N	-1	0	308.290	-0.038	50	0		DBAARM
C[C@@]1(c2ccc(C(=O)NCCC(=O)[O-])cc2)NC(=O)NC1=O	ZINC000262180470	376781364	/nfs/dbraw/zinc/78/13/64/376781364.db2.gz	FGPPGJXQCIZUIB-AWEZNQCLSA-N	-1	0	305.290	-0.054	50	0		DBAARM
CCn1cc(NC(=O)c2c(C(=O)[O-])cnn2C)c(C(N)=O)n1	ZINC000012397576	376786605	/nfs/dbraw/zinc/78/66/05/376786605.db2.gz	BHSWLGAALLMXJS-UHFFFAOYSA-N	-1	0	306.282	-0.314	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1	ZINC000262487814	376962839	/nfs/dbraw/zinc/96/28/39/376962839.db2.gz	LMVGEKIHUFXNBN-PWSUYJOCSA-N	-1	0	322.317	-0.060	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1	ZINC000262487812	376962995	/nfs/dbraw/zinc/96/29/95/376962995.db2.gz	LMVGEKIHUFXNBN-CMPLNLGQSA-N	-1	0	322.317	-0.060	50	0		DBAARM
CS(=O)(=O)[N-]C(=O)CCn1c2ccccc2c(=O)[nH]c1=O	ZINC000040543892	183099414	/nfs/dbraw/zinc/09/94/14/183099414.db2.gz	HRSHKPRHGMQQIT-UHFFFAOYSA-N	-1	0	311.319	-0.844	50	0		DBAARM
COc1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc1OC	ZINC000036965678	380706797	/nfs/dbraw/zinc/70/67/97/380706797.db2.gz	XTPBKMQOZCMKMD-MRVPVSSYSA-N	-1	0	305.308	-0.572	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000227558153	381059739	/nfs/dbraw/zinc/05/97/39/381059739.db2.gz	SZBVVPSPTWBOBB-VHSXEESVSA-N	-1	0	320.367	-0.888	50	0		DBAARM
COCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1	ZINC000252445641	381089802	/nfs/dbraw/zinc/08/98/02/381089802.db2.gz	BVVGXHISTAULTJ-IVZWLZJFSA-N	-1	0	305.352	-0.631	50	0		DBAARM
C[C@@H]1O[C@H](Nc2ccc(S(=O)(=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000252618412	381408227	/nfs/dbraw/zinc/40/82/27/381408227.db2.gz	LGBGTJJKIZVFJP-CAXGQTPXSA-N	-1	0	319.335	-0.827	50	0		DBAARM
O=C([O-])CCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O	ZINC000002330059	382356893	/nfs/dbraw/zinc/35/68/93/382356893.db2.gz	BVVRMXQJLPDKAO-UHFFFAOYSA-N	-1	0	305.290	-0.329	50	0		DBAARM
CC(=O)c1cccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])c1	ZINC000020005098	256527941	/nfs/dbraw/zinc/52/79/41/256527941.db2.gz	OEXWAECXFKHOFE-SNVBAGLBSA-N	-1	0	314.319	-0.504	50	0		DBAARM
CS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000315152403	257242875	/nfs/dbraw/zinc/24/28/75/257242875.db2.gz	XPCYYGCQGQFJSJ-LLVKDONJSA-N	-1	0	312.347	-0.426	50	0		DBAARM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCOCC1	ZINC000426632830	257245483	/nfs/dbraw/zinc/24/54/83/257245483.db2.gz	CSIBAHOXSIQYJH-ZDUSSCGKSA-N	-1	0	308.334	-0.164	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000037418492	392010132	/nfs/dbraw/zinc/01/01/32/392010132.db2.gz	MWJWOLPBRZIXKG-QMMMGPOBSA-N	-1	0	315.351	-0.391	50	0		DBAARM
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O	ZINC000269125026	392411907	/nfs/dbraw/zinc/41/19/07/392411907.db2.gz	JCEFMYMDXZEASJ-AWEZNQCLSA-N	-1	0	323.280	-0.207	50	0		DBAARM
CC(C)[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C(=O)[O-]	ZINC000091819311	392486815	/nfs/dbraw/zinc/48/68/15/392486815.db2.gz	MXOBHVYQPUZBNS-VHSXEESVSA-N	-1	0	306.384	-0.130	50	0		DBAARM
COCCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1	ZINC000037828014	292398925	/nfs/dbraw/zinc/39/89/25/292398925.db2.gz	BVVGXHISTAULTJ-BBBLOLIVSA-N	-1	0	305.352	-0.631	50	0		DBAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nnn(C)n2)cc1	ZINC000585136931	412432296	/nfs/dbraw/zinc/43/22/96/412432296.db2.gz	ZAEZDSXEDQUVKE-UHFFFAOYSA-N	-1	0	311.323	0.188	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)c2sccc2-n2cnnn2)CCO1	ZINC000049864887	545038072	/nfs/dbraw/zinc/03/80/72/545038072.db2.gz	QNXSYTBPAKHUQS-MRVPVSSYSA-N	-1	0	309.307	-0.351	50	0		DBAARM
Cn1cc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000492157401	266155192	/nfs/dbraw/zinc/15/51/92/266155192.db2.gz	STVCJFJIGDCYCJ-GZTOBOFZSA-N	-1	0	321.333	-0.580	50	0		DBAARM
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299743020	287755663	/nfs/dbraw/zinc/75/56/63/287755663.db2.gz	LPIGGZVOKFGJOX-AEJSXWLSSA-N	-1	0	306.384	-0.117	50	0		DBAARM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(S(C)(=O)=O)CC2	ZINC000091872722	277981480	/nfs/dbraw/zinc/98/14/80/277981480.db2.gz	LANSSFJSXZLYLZ-SNVBAGLBSA-N	-1	0	304.368	-0.266	50	0		DBAARM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(S(C)(=O)=O)CC2	ZINC000091872724	277981493	/nfs/dbraw/zinc/98/14/93/277981493.db2.gz	LANSSFJSXZLYLZ-JTQLQIEISA-N	-1	0	304.368	-0.266	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062118765	295515158	/nfs/dbraw/zinc/51/51/58/295515158.db2.gz	ORSSQZAKKPHCPR-VHSXEESVSA-N	-1	0	304.368	-0.266	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC000040386091	295520202	/nfs/dbraw/zinc/52/02/02/295520202.db2.gz	ZNJFAFGTTQGGOQ-UWVGGRQHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)CS2	ZINC000043702120	300860707	/nfs/dbraw/zinc/86/07/07/300860707.db2.gz	IOSXTHYGGWUPJW-ZDMBXUJBSA-N	-1	0	314.363	-0.248	50	0		DBAARM
Cn1ccnc1SCc1c(C(=O)[O-])nnn1-c1nonc1N	ZINC000021147036	302989989	/nfs/dbraw/zinc/98/99/89/302989989.db2.gz	BDMCZCFRGLVJKV-UHFFFAOYSA-N	-1	0	322.310	-0.044	50	0		DBAARM
Cc1nc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)no1	ZINC000091255694	526875172	/nfs/dbraw/zinc/87/51/72/526875172.db2.gz	QFCGNNQLVMZFOO-HZMBPMFUSA-N	-1	0	323.353	-0.122	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000299742942	528201243	/nfs/dbraw/zinc/20/12/43/528201243.db2.gz	KWNDFAJENMHXIV-SNVBAGLBSA-N	-1	0	306.384	-0.019	50	0		DBAARM
CN(C)C(=O)Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1	ZINC000262580110	601628038	/nfs/dbraw/zinc/62/80/38/601628038.db2.gz	QFJJFCNODGNTGS-SNVBAGLBSA-N	-1	0	309.326	-0.554	50	0		DBAARM
CN1N=C(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCC1=O	ZINC000848456733	675019971	/nfs/dbraw/zinc/01/99/71/675019971.db2.gz	JZFZNAUMGQTLKO-NSHDSACASA-N	-1	0	304.306	-0.198	50	0		DBAARM
CN1N=C(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCC1=O	ZINC000848456732	675020067	/nfs/dbraw/zinc/02/00/67/675020067.db2.gz	JZFZNAUMGQTLKO-LLVKDONJSA-N	-1	0	304.306	-0.198	50	0		DBAARM
CSCCN1CCN(C(=O)Cc2cc(=O)[nH][n-]c2=O)CC1	ZINC001506397039	1019840973	/nfs/dbraw/zinc/84/09/73/1019840973.db2.gz	LULDBYVSVNESGN-UHFFFAOYSA-N	-1	0	312.395	-0.063	50	0		DBAARM
Cc1ccc2nc(C(=O)NCCC(=O)NCC(=O)[O-])cn2c1	ZINC000095527942	185378665	/nfs/dbraw/zinc/37/86/65/185378665.db2.gz	YHPUJMQRPMMNMH-UHFFFAOYSA-N	-1	0	304.306	-0.037	50	0		DBAARM
Cc1nc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cn1C	ZINC000072162029	191062315	/nfs/dbraw/zinc/06/23/15/191062315.db2.gz	OYEDTEZKSXCEKG-SECBINFHSA-N	-1	0	303.340	-0.407	50	0		DBAARM
CS(=O)(=O)N1CCN(Cc2cccnc2)C[C@H](C(=O)[O-])C1	ZINC000072344435	191127305	/nfs/dbraw/zinc/12/73/05/191127305.db2.gz	SBHSKKJOZNMAGK-LBPRGKRZSA-N	-1	0	313.379	-0.140	50	0		DBAARM
Nc1ccnc(N2C[C@H]3C(=O)N(CC4CC4)C[C@@]3(C(=O)[O-])C2)n1	ZINC000072467911	191175219	/nfs/dbraw/zinc/17/52/19/191175219.db2.gz	HRPGPXNOCPIZHW-ZUZCIYMTSA-N	-1	0	317.349	-0.182	50	0		DBAARM
C[C@@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000003415921	181016988	/nfs/dbraw/zinc/01/69/88/181016988.db2.gz	YGHFMUMNUYJCDA-AWEZNQCLSA-N	-1	0	321.289	-0.598	50	0		DBAARM
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000003841505	181048151	/nfs/dbraw/zinc/04/81/51/181048151.db2.gz	OKWGNUOGLNFNEB-MWLCHTKSSA-N	-1	0	310.306	-0.137	50	0		DBAARM
CC(C)[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000003985217	181060449	/nfs/dbraw/zinc/06/04/49/181060449.db2.gz	ZNMIXAAOVBPWSK-GFCCVEGCSA-N	-1	0	319.317	-0.085	50	0	biogenic	DBAARM
CN1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)NCC(=O)[O-]	ZINC000095374924	283253396	/nfs/dbraw/zinc/25/33/96/283253396.db2.gz	WVBMTQUCRXGQMW-ZDUSSCGKSA-N	-1	0	319.361	-0.250	50	0		DBAARM
O=C([O-])[C@@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O	ZINC000003985291	304112079	/nfs/dbraw/zinc/11/20/79/304112079.db2.gz	AJQUINMOGWOZIL-NSHDSACASA-N	-1	0	317.301	-0.235	50	0	biogenic	DBAARM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cc[nH]n1)CC2	ZINC000091416899	193052922	/nfs/dbraw/zinc/05/29/22/193052922.db2.gz	CSQLMJVIVHETMM-SECBINFHSA-N	-1	0	306.322	-0.053	50	0		DBAARM
Cc1ccnn1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000220135918	201570083	/nfs/dbraw/zinc/57/00/83/201570083.db2.gz	PNTRSPGZJVFWRW-VXGBXAGGSA-N	-1	0	311.338	-0.043	50	0		DBAARM
O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)C1CCOCC1)CC2	ZINC000091551711	304174845	/nfs/dbraw/zinc/17/48/45/304174845.db2.gz	RXFIMZWKXVXRFA-LLVKDONJSA-N	-1	0	310.350	-0.005	50	0		DBAARM
Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1C	ZINC000020301919	182204380	/nfs/dbraw/zinc/20/43/80/182204380.db2.gz	NQUGTHZFNYYWFN-SNVBAGLBSA-N	-1	0	300.336	-0.090	50	0		DBAARM
O=C([O-])CCn1cc(I)c(=O)[nH]c1=O	ZINC000000182951	374235976	/nfs/dbraw/zinc/23/59/76/374235976.db2.gz	MPDRMLZJDIQAOH-UHFFFAOYSA-N	-1	0	310.047	-0.384	50	0		DBAARM
CCOC(=O)CSc1nnc(NCC(=O)OC)c(=O)[n-]1	ZINC000008680573	374296035	/nfs/dbraw/zinc/29/60/35/374296035.db2.gz	MBIHPOLMAULLDA-UHFFFAOYSA-N	-1	0	302.312	-0.183	50	0		DBAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCNC(=O)C3)C2=O)cc1	ZINC000014138028	374360311	/nfs/dbraw/zinc/36/03/11/374360311.db2.gz	LOJLTTDWRVMTEN-LLVKDONJSA-N	-1	0	317.301	-0.552	50	0		DBAARM
COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000013028287	374352064	/nfs/dbraw/zinc/35/20/64/374352064.db2.gz	YBWUYYVFHIGKPL-KWQFWETISA-N	-1	0	301.320	-0.096	50	0		DBAARM
C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000021960909	182300478	/nfs/dbraw/zinc/30/04/78/182300478.db2.gz	YIZTXJMPQLWAKJ-CYBMUJFWSA-N	-1	0	316.277	-0.486	50	0		DBAARM
C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000032917722	374460185	/nfs/dbraw/zinc/46/01/85/374460185.db2.gz	ZADOUHUTHDLNIA-ZCFIWIBFSA-N	-1	0	300.292	-0.231	50	0		DBAARM
CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]OC)c1	ZINC000023041162	182345706	/nfs/dbraw/zinc/34/57/06/182345706.db2.gz	LNTKIDWIAVGXSY-UHFFFAOYSA-N	-1	0	317.367	-0.444	50	0		DBAARM
Cn1nc(C(=O)[O-])c2c1CCN(C(=O)CCCn1cnnn1)C2	ZINC000067820186	374665119	/nfs/dbraw/zinc/66/51/19/374665119.db2.gz	ZWSCMHMXCKYVBF-UHFFFAOYSA-N	-1	0	319.325	-0.530	50	0		DBAARM
COCCNC(=O)N1CCN(c2cnccn2)C[C@@H](C(=O)[O-])C1	ZINC000097499553	374869153	/nfs/dbraw/zinc/86/91/53/374869153.db2.gz	OYQCQIPBWFVKIQ-LLVKDONJSA-N	-1	0	323.353	-0.345	50	0		DBAARM
Cn1ncc(N2CCN(c3ncncc3C(=O)[O-])CC2)cc1=O	ZINC000095361917	374834538	/nfs/dbraw/zinc/83/45/38/374834538.db2.gz	MDVQGVLBCUMKHY-UHFFFAOYSA-N	-1	0	316.321	-0.405	50	0		DBAARM
CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC000262684180	375045453	/nfs/dbraw/zinc/04/54/53/375045453.db2.gz	BTJWUUNSYQTBEP-XYPYZODXSA-N	-1	0	318.395	-0.019	50	0		DBAARM
O=c1n(CCn2cc(Cl)c(=O)[nH]c2=O)nc2ccccn21	ZINC000084606595	375229919	/nfs/dbraw/zinc/22/99/19/375229919.db2.gz	XUTJWYSZJAMEAU-UHFFFAOYSA-N	-1	0	307.697	-0.300	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cccn2cnnc12	ZINC000218109818	376600994	/nfs/dbraw/zinc/60/09/94/376600994.db2.gz	PTNLEZHMULVVKR-GHMZBOCLSA-N	-1	0	320.305	-0.282	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCO1	ZINC000315237754	376669382	/nfs/dbraw/zinc/66/93/82/376669382.db2.gz	XMSRGORCGPXBOJ-NSHDSACASA-N	-1	0	306.274	-0.057	50	0		DBAARM
O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCCn1cncn1	ZINC000220366026	376646522	/nfs/dbraw/zinc/64/65/22/376646522.db2.gz	YFICKNXAADXQDI-GHMZBOCLSA-N	-1	0	312.326	-0.567	50	0		DBAARM
Cc1cc(=O)c(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c(C)[nH]1	ZINC000223081756	376719648	/nfs/dbraw/zinc/71/96/48/376719648.db2.gz	DGMFCRUSSZIAFL-ZYHUDNBSSA-N	-1	0	324.333	-0.020	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)CCO1	ZINC000262315983	376807024	/nfs/dbraw/zinc/80/70/24/376807024.db2.gz	UITVIBOEJHILDS-GFCCVEGCSA-N	-1	0	317.301	-0.292	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000262546990	377024561	/nfs/dbraw/zinc/02/45/61/377024561.db2.gz	WFBBNYPXABGZPI-GFCCVEGCSA-N	-1	0	317.305	-0.483	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCO1	ZINC000262921631	377104057	/nfs/dbraw/zinc/10/40/57/377104057.db2.gz	FAELIYSZNCUGKO-GFCCVEGCSA-N	-1	0	317.305	-0.483	50	0		DBAARM
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000262924691	377280500	/nfs/dbraw/zinc/28/05/00/377280500.db2.gz	ZRRUAIAALCHYCV-MNOVXSKESA-N	-1	0	312.347	-0.068	50	0		DBAARM
O=C([O-])C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1c1cn[nH]n1	ZINC000299802408	378053992	/nfs/dbraw/zinc/05/39/92/378053992.db2.gz	LQBZCDUBFTWGOK-VHSXEESVSA-N	-1	0	304.310	-0.282	50	0		DBAARM
CNC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C	ZINC000002804434	378325500	/nfs/dbraw/zinc/32/55/00/378325500.db2.gz	NABWVDFSFAWZPY-UHFFFAOYSA-N	-1	0	312.355	-0.080	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000100166219	378574076	/nfs/dbraw/zinc/57/40/76/378574076.db2.gz	FBRLBIDHJMXJSN-WDEREUQCSA-N	-1	0	315.285	-0.121	50	0		DBAARM
CCn1cc(S(=O)(=O)N2CCC[C@H](c3nnn[n-]3)C2)cn1	ZINC000169785285	380651154	/nfs/dbraw/zinc/65/11/54/380651154.db2.gz	QHSAVPRPXRSPAZ-VIFPVBQESA-N	-1	0	311.371	-0.016	50	0		DBAARM
C[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc2NC1=O	ZINC000071538935	380828051	/nfs/dbraw/zinc/82/80/51/380828051.db2.gz	ZWEQKMFXXGVOJP-YFKPBYRVSA-N	-1	0	310.295	-0.280	50	0		DBAARM
C[C@@H]1O[C@H](Nc2ccc(S(=O)(=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	ZINC000252618414	381407594	/nfs/dbraw/zinc/40/75/94/381407594.db2.gz	LGBGTJJKIZVFJP-UOAXWKJLSA-N	-1	0	319.335	-0.827	50	0		DBAARM
CC(=O)OC[C@@H]1O[C@H](OC(=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000252642496	381679966	/nfs/dbraw/zinc/67/99/66/381679966.db2.gz	ZMFPMGLQGQUKQV-LNFKQOIKSA-N	-1	0	320.250	-0.168	50	0		DBAARM
CC1(C)O[C@@H]2[C@H](O1)[C@H](C(=O)[O-])O[C@@H]2n1cnc2c1ncnc2N	ZINC000009207919	382497074	/nfs/dbraw/zinc/49/70/74/382497074.db2.gz	RRTBBKSJPNRFCG-RFOGZPIASA-N	-1	0	321.293	-0.089	50	0		DBAARM
CNC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000002804409	382634438	/nfs/dbraw/zinc/63/44/38/382634438.db2.gz	OWINACDEPUTPKZ-UHFFFAOYSA-N	-1	0	312.355	-0.378	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)[O-])C1	ZINC000040386094	382679407	/nfs/dbraw/zinc/67/94/07/382679407.db2.gz	ZNJFAFGTTQGGOQ-ZJUUUORDSA-N	-1	0	304.368	-0.266	50	0		DBAARM
COc1ccc(C(=O)CC2(O)C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000009419788	382694276	/nfs/dbraw/zinc/69/42/76/382694276.db2.gz	VEBGKSHWEWYWGJ-UHFFFAOYSA-N	-1	0	322.273	-0.626	50	0		DBAARM
Cn1cc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1=O	ZINC000268949386	257257287	/nfs/dbraw/zinc/25/72/87/257257287.db2.gz	RHENFNNEAKUEEH-MLRMMBSGSA-N	-1	0	321.333	-0.437	50	0		DBAARM
NC(=O)C1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000047403237	411758226	/nfs/dbraw/zinc/75/82/26/411758226.db2.gz	QKINBRLHGVELFK-UHFFFAOYSA-N	-1	0	317.305	-0.639	50	0		DBAARM
CN(C)S(=O)(=O)N1CCN(c2ncccc2C(=O)[O-])CC1	ZINC000049928668	411802940	/nfs/dbraw/zinc/80/29/40/411802940.db2.gz	RZNOQPYQALREBC-UHFFFAOYSA-N	-1	0	314.367	-0.292	50	0		DBAARM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H](Cc1ccccc1)n1cnnn1	ZINC000670472367	544708599	/nfs/dbraw/zinc/70/85/99/544708599.db2.gz	ZBCMUYJUGIAPSV-SNVBAGLBSA-N	-1	0	314.309	-0.403	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000221693374	295514954	/nfs/dbraw/zinc/51/49/54/295514954.db2.gz	CAMZCGLLGVHZHS-NXEZZACHSA-N	-1	0	320.367	-0.888	50	0		DBAARM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC000263366387	297214094	/nfs/dbraw/zinc/21/40/94/297214094.db2.gz	UACXOCCOJNPPDD-RKDXNWHRSA-N	-1	0	311.338	-0.114	50	0		DBAARM
C[C@H]1CN(C)CCN1C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000089938425	300213817	/nfs/dbraw/zinc/21/38/17/300213817.db2.gz	WUDNHOXEVFFRRU-QMMMGPOBSA-N	-1	0	303.322	-0.200	50	0		DBAARM
O=C([O-])CCC(=O)N1CCCO[C@@H](CN2CCOCC2)C1	ZINC000534592147	334294775	/nfs/dbraw/zinc/29/47/75/334294775.db2.gz	UIZJLRQLZHAIME-LBPRGKRZSA-N	-1	0	300.355	-0.199	50	0		DBAARM
CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C)C(=O)[O-]	ZINC000263194903	522526865	/nfs/dbraw/zinc/52/68/65/522526865.db2.gz	UAXIGUBEUOGFQL-VIFPVBQESA-N	-1	0	317.367	-0.132	50	0		DBAARM
C[C@@H](CNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)CC(=O)[O-]	ZINC000157930279	524696212	/nfs/dbraw/zinc/69/62/12/524696212.db2.gz	OBNFFSGGUPJPAC-NXEZZACHSA-N	-1	0	306.384	-0.115	50	0		DBAARM
COc1cccc(C(=O)NCC(=O)N2CCOC[C@H]2C(=O)[O-])c1	ZINC000262830902	525814613	/nfs/dbraw/zinc/81/46/13/525814613.db2.gz	XPYFBRZJAJMOJQ-LBPRGKRZSA-N	-1	0	322.317	-0.263	50	0		DBAARM
CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1	ZINC000299748012	526679249	/nfs/dbraw/zinc/67/92/49/526679249.db2.gz	FULNWSCOOMFEML-ZJUUUORDSA-N	-1	0	302.352	-0.390	50	0		DBAARM
Cn1c(=O)[nH]cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1=O	ZINC000262820794	527078824	/nfs/dbraw/zinc/07/88/24/527078824.db2.gz	PQDDSCLHTREFCF-UHFFFAOYSA-N	-1	0	321.293	-0.246	50	0		DBAARM
Cn1c(=O)[nH]c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21	ZINC000262757254	597376884	/nfs/dbraw/zinc/37/68/84/597376884.db2.gz	JUGJLZPDXGYRBC-NSHDSACASA-N	-1	0	305.290	-0.208	50	0		DBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000247353635	803830833	/nfs/dbraw/zinc/83/08/33/803830833.db2.gz	WSXIBFCYZCEIFR-XWLWVQCSSA-N	-1	0	314.250	-0.856	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NCCCn1ncc2ccccc21	ZINC000952987508	809012726	/nfs/dbraw/zinc/01/27/26/809012726.db2.gz	ODNJIVKGEHEFIA-UHFFFAOYSA-N	-1	0	300.326	-0.358	50	0		DBAARM
CC(C)(C)NC(=O)CN1CCN(C(=O)NCCC(=O)[O-])CC1	ZINC001506416636	1019843018	/nfs/dbraw/zinc/84/30/18/1019843018.db2.gz	CWSZMZBZYBGVEY-UHFFFAOYSA-N	-1	0	314.386	-0.297	50	0		DBAARM
Cn1ccnc1[C@@H](NC(=O)Cn1[n-]nnc1=N)c1ccccc1	ZINC001506422774	1019843803	/nfs/dbraw/zinc/84/38/03/1019843803.db2.gz	DJVKARZNKJFMMH-LBPRGKRZSA-N	-1	0	312.337	-0.275	50	0		DBAARM
CCn1c(=O)[nH]c2cc(C(=O)NCCC(=O)[O-])ccc2c1=O	ZINC000095424244	185361364	/nfs/dbraw/zinc/36/13/64/185361364.db2.gz	XCBFYCSBIMUTKD-UHFFFAOYSA-N	-1	0	305.290	-0.086	50	0		DBAARM
O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1COCCN1CC(F)F	ZINC000225603567	186282027	/nfs/dbraw/zinc/28/20/27/186282027.db2.gz	JERMWLOFGCHKKV-VIFPVBQESA-N	-1	0	312.338	-0.049	50	0		DBAARM
CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-]	ZINC000072314404	191121078	/nfs/dbraw/zinc/12/10/78/191121078.db2.gz	FBEQYBTZXJBEGX-SSDOTTSWSA-N	-1	0	309.326	-0.271	50	0		DBAARM
COc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1	ZINC000003310466	181002631	/nfs/dbraw/zinc/00/26/31/181002631.db2.gz	WRHJLQNUJNCDLD-JTQLQIEISA-N	-1	0	316.335	-0.308	50	0		DBAARM
C[C@@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000004090651	181071798	/nfs/dbraw/zinc/07/17/98/181071798.db2.gz	QHHWHNPCQJUSLJ-MRVPVSSYSA-N	-1	0	320.305	-0.256	50	0	biogenic	DBAARM
O=C([O-])CSc1nnc(NC(=O)CN2CCOCC2)s1	ZINC000004107253	181074004	/nfs/dbraw/zinc/07/40/04/181074004.db2.gz	BSHCLLFRBJWOPM-UHFFFAOYSA-N	-1	0	318.380	-0.015	50	0		DBAARM
NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)[O-])cc1	ZINC000005569650	181258508	/nfs/dbraw/zinc/25/85/08/181258508.db2.gz	BWHDBKANFPGCIT-UHFFFAOYSA-N	-1	0	300.336	-0.143	50	0		DBAARM
O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)C1CCOCC1)CC2	ZINC000091551709	304097913	/nfs/dbraw/zinc/09/79/13/304097913.db2.gz	RXFIMZWKXVXRFA-NSHDSACASA-N	-1	0	310.350	-0.005	50	0		DBAARM
NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1	ZINC000006309616	181328504	/nfs/dbraw/zinc/32/85/04/181328504.db2.gz	WBKQEZAKVCZMKQ-UHFFFAOYSA-N	-1	0	309.307	-0.225	50	0		DBAARM
Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])[nH]n1	ZINC000091724775	193096793	/nfs/dbraw/zinc/09/67/93/193096793.db2.gz	XFLCBMNMDSENBD-SECBINFHSA-N	-1	0	306.322	-0.086	50	0		DBAARM
COc1cccc([C@@H]2CN(S(N)(=O)=O)C[C@H]2C(=O)[O-])c1	ZINC000091914639	193126053	/nfs/dbraw/zinc/12/60/53/193126053.db2.gz	HJCRJWYDXMTCCK-WDEREUQCSA-N	-1	0	300.336	-0.001	50	0		DBAARM
CCOC(=O)c1cnc(-n2[n-]c(C)c(CCO)c2=O)[nH]c1=O	ZINC000016958533	182066481	/nfs/dbraw/zinc/06/64/81/182066481.db2.gz	RCXSBHWDDVYRDS-UHFFFAOYSA-N	-1	0	308.294	-0.319	50	0		DBAARM
Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)[O-])ccc21	ZINC000000814700	374238419	/nfs/dbraw/zinc/23/84/19/374238419.db2.gz	PSBGFCAFVMLKTR-UHFFFAOYSA-N	-1	0	300.292	-0.116	50	0		DBAARM
CCOC(=O)CNc1n[n-]c(SCC(=O)OCC)nc1=O	ZINC000008617184	374294792	/nfs/dbraw/zinc/29/47/92/374294792.db2.gz	BRAJVULVVKFQAK-UHFFFAOYSA-N	-1	0	316.339	-0.205	50	0		DBAARM
COCCOC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O	ZINC000071921351	374295421	/nfs/dbraw/zinc/29/54/21/374295421.db2.gz	ACIDHNQUOUCICT-SCZZXKLOSA-N	-1	0	323.392	-0.035	50	0		DBAARM
CCOC(=O)CC[C@@](NC(C)=O)(C(=O)OCC)c1nnn[n-]1	ZINC000025756989	374408740	/nfs/dbraw/zinc/40/87/40/374408740.db2.gz	ASPASIYYFPNGFX-LBPRGKRZSA-N	-1	0	313.314	-0.563	50	0		DBAARM
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(O)cc2o1	ZINC000025559151	374409195	/nfs/dbraw/zinc/40/91/95/374409195.db2.gz	UFDDFJWEPZGPEV-YXCITZCRSA-N	-1	0	310.258	-0.684	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000100639090	374464407	/nfs/dbraw/zinc/46/44/07/374464407.db2.gz	GLYIGPIRTZGEDL-WDEREUQCSA-N	-1	0	315.285	-0.121	50	0		DBAARM
COC[C@@H]([NH3+])C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1	ZINC000072438731	374696857	/nfs/dbraw/zinc/69/68/57/374696857.db2.gz	WPFNLCXSFMIJNW-GFCCVEGCSA-N	-1	0	310.354	-0.394	50	0		DBAARM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCOC[C@@H](O)C1	ZINC000077421956	374720898	/nfs/dbraw/zinc/72/08/98/374720898.db2.gz	MMKLURONUYROCW-LBPRGKRZSA-N	-1	0	303.318	-0.001	50	0		DBAARM
Cc1nnc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)[O-])C2)[nH]1	ZINC000096139588	374848182	/nfs/dbraw/zinc/84/81/82/374848182.db2.gz	ZQOWVBONAWRCIO-HZMBPMFUSA-N	-1	0	322.369	-0.387	50	0		DBAARM
COCc1cc(N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)[O-])C2)ncn1	ZINC000096139445	374848505	/nfs/dbraw/zinc/84/85/05/374848505.db2.gz	GTSGCBGQZXQZAV-NHYWBVRUSA-N	-1	0	320.349	-0.008	50	0		DBAARM
COc1ccc(S(=O)(=O)N(CCO)CCO)cc1C(=O)[O-]	ZINC000000304618	374968846	/nfs/dbraw/zinc/96/88/46/374968846.db2.gz	DGXAOCGIMMMQBH-UHFFFAOYSA-N	-1	0	319.335	-0.631	50	0		DBAARM
C[C@@H]1Cc2cc(C(=O)CC3(O)C(=O)[N-]C(=O)NC3=O)ccc2O1	ZINC000226795204	375087393	/nfs/dbraw/zinc/08/73/93/375087393.db2.gz	RCHNUTZTFGPTHV-SSDOTTSWSA-N	-1	0	318.285	-0.320	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100810562	193804673	/nfs/dbraw/zinc/80/46/73/193804673.db2.gz	KBJMFMOBQVOSQL-VHSXEESVSA-N	-1	0	303.274	-0.315	50	0		DBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)Cc1ccc(F)cc1	ZINC000035384522	182773041	/nfs/dbraw/zinc/77/30/41/182773041.db2.gz	WMMANGVSAFVUDN-UHFFFAOYSA-N	-1	0	304.299	-0.554	50	0		DBAARM
COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000218392086	376608376	/nfs/dbraw/zinc/60/83/76/376608376.db2.gz	ADDFJFAPDYADPJ-ZETCQYMHSA-N	-1	0	321.293	-0.157	50	0		DBAARM
Nc1n[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c1Cl	ZINC000219691189	376628193	/nfs/dbraw/zinc/62/81/93/376628193.db2.gz	UBGHGDBPHFWILA-PHDIDXHHSA-N	-1	0	318.717	-0.366	50	0		DBAARM
CS(=O)(=O)N1CCCN(Cc2c[nH]nc2C(=O)[O-])CC1	ZINC000223701954	376730360	/nfs/dbraw/zinc/73/03/60/376730360.db2.gz	BUWLEACXIWLOCG-UHFFFAOYSA-N	-1	0	302.356	-0.425	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCO1	ZINC000261980678	376764684	/nfs/dbraw/zinc/76/46/84/376764684.db2.gz	RFPSUGVKACQLIN-LLVKDONJSA-N	-1	0	303.278	-0.412	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCO1	ZINC000262935138	377107299	/nfs/dbraw/zinc/10/72/99/377107299.db2.gz	GVZICYCJRGECQV-ZYHUDNBSSA-N	-1	0	322.317	-0.060	50	0		DBAARM
COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)C(=O)[O-]	ZINC000262426508	377275888	/nfs/dbraw/zinc/27/58/88/377275888.db2.gz	HPQCOOUXFOKSMK-ZCFIWIBFSA-N	-1	0	302.308	-0.455	50	0		DBAARM
CCn1cc(S(=O)(=O)NC[C@@H]2COCCO2)cc1C(=O)[O-]	ZINC000038061244	182984672	/nfs/dbraw/zinc/98/46/72/182984672.db2.gz	KRWHDHLDEMGMMH-SECBINFHSA-N	-1	0	318.351	-0.100	50	0		DBAARM
COCCNC(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1	ZINC000299776824	378051182	/nfs/dbraw/zinc/05/11/82/378051182.db2.gz	HIMVFBUKAGLYQL-VHSXEESVSA-N	-1	0	311.342	-0.339	50	0		DBAARM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCNC(=O)C3)C2=O)cc1	ZINC000102616487	193903636	/nfs/dbraw/zinc/90/36/36/193903636.db2.gz	LOJLTTDWRVMTEN-NSHDSACASA-N	-1	0	317.301	-0.552	50	0		DBAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1	ZINC000001248065	378156652	/nfs/dbraw/zinc/15/66/52/378156652.db2.gz	ZHGRWRHFXFHHCV-CPCISQLKSA-N	-1	0	316.335	-0.243	50	0		DBAARM
O=C([O-])CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000001678298	380358985	/nfs/dbraw/zinc/35/89/85/380358985.db2.gz	KPAYASDFVKQWMA-UHFFFAOYSA-N	-1	0	323.305	-0.770	50	0	biogenic	DBAARM
Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCC(=O)[O-]	ZINC000036693371	380682082	/nfs/dbraw/zinc/68/20/82/380682082.db2.gz	WSRZTSGYMDEOID-UHFFFAOYSA-N	-1	0	305.294	-0.151	50	0		DBAARM
C[C@H]1Oc2ccc(S(=O)(=O)[N-]c3nn[nH]n3)cc2NC1=O	ZINC000071538934	380828378	/nfs/dbraw/zinc/82/83/78/380828378.db2.gz	ZWEQKMFXXGVOJP-RXMQYKEDSA-N	-1	0	310.295	-0.280	50	0		DBAARM
O=C([O-])C1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1	ZINC000238024306	381060977	/nfs/dbraw/zinc/06/09/77/381060977.db2.gz	FWXMLAHGPCPKBY-UHFFFAOYSA-N	-1	0	304.306	-0.181	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CC2)C1	ZINC000037588867	381438746	/nfs/dbraw/zinc/43/87/46/381438746.db2.gz	AOPHNKYZGGISMZ-SECBINFHSA-N	-1	0	304.368	-0.266	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1	ZINC000062913522	184259414	/nfs/dbraw/zinc/25/94/14/184259414.db2.gz	DCZDTUDCDWVTAX-JOYOIKCWSA-N	-1	0	304.368	-0.266	50	0		DBAARM
O=C([O-])[C@H]1CC(=O)N(CCn2[nH]c(=O)c3ccccc3c2=O)C1	ZINC000065383314	184332552	/nfs/dbraw/zinc/33/25/52/184332552.db2.gz	ANPWRWQNRFNEOJ-VIFPVBQESA-N	-1	0	317.301	-0.377	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cnn(C)c3)[C@@H]2SC1	ZINC000002782848	382633909	/nfs/dbraw/zinc/63/39/09/382633909.db2.gz	MNLBPGZCZKMAFX-PELKAZGASA-N	-1	0	322.346	-0.208	50	0		DBAARM
C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O	ZINC000269166983	256625209	/nfs/dbraw/zinc/62/52/09/256625209.db2.gz	FUPOVHOBDROVQD-RMLUDKJBSA-N	-1	0	309.322	-0.360	50	0		DBAARM
Cc1[nH]nc(C(=O)N2CCN(CC(=O)[O-])C(=O)C2)c1Cl	ZINC000426596624	257245755	/nfs/dbraw/zinc/24/57/55/257245755.db2.gz	PXIYXDNWVPGDQB-UHFFFAOYSA-N	-1	0	300.702	-0.259	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000218275753	533389672	/nfs/dbraw/zinc/38/96/72/533389672.db2.gz	COHVZDWQEYRHKJ-VHSXEESVSA-N	-1	0	304.368	-0.409	50	0		DBAARM
CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])o1	ZINC000269085146	392411794	/nfs/dbraw/zinc/41/17/94/392411794.db2.gz	MABJUFYKEMNJGD-SSDOTTSWSA-N	-1	0	302.308	-0.123	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O	ZINC000101763776	393411110	/nfs/dbraw/zinc/41/11/10/393411110.db2.gz	DZUKJFABEKUOAE-VIFPVBQESA-N	-1	0	302.290	-0.077	50	0		DBAARM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1C(=O)CNC1=O	ZINC000299744694	229384345	/nfs/dbraw/zinc/38/43/45/229384345.db2.gz	UHCOJCCDJWHZJC-AEJSXWLSSA-N	-1	0	309.322	-0.218	50	0		DBAARM
CN(CCCC(=O)[O-])C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000037456103	289612152	/nfs/dbraw/zinc/61/21/52/289612152.db2.gz	VWWHVOBDUSSBGX-SNVBAGLBSA-N	-1	0	306.384	-0.019	50	0		DBAARM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C1	ZINC000263366385	300405883	/nfs/dbraw/zinc/40/58/83/300405883.db2.gz	UACXOCCOJNPPDD-DTWKUNHWSA-N	-1	0	311.338	-0.114	50	0		DBAARM
C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)CS2	ZINC000221695119	300860877	/nfs/dbraw/zinc/86/08/77/300860877.db2.gz	IOSXTHYGGWUPJW-KKFJDGPESA-N	-1	0	314.363	-0.248	50	0		DBAARM
Cn1cnnc1SCc1c(C(=O)[O-])nnn1-c1nonc1N	ZINC000009130193	303034056	/nfs/dbraw/zinc/03/40/56/303034056.db2.gz	HRULNCRRUBFEHC-UHFFFAOYSA-N	-1	0	323.298	-0.649	50	0		DBAARM
CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NCCCOC	ZINC000071405373	337366817	/nfs/dbraw/zinc/36/68/17/337366817.db2.gz	IHNSUHBMQGXRLY-ZETCQYMHSA-N	-1	0	302.356	-0.106	50	0		DBAARM
Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)NCC(=O)[O-])c1	ZINC000567676511	341626997	/nfs/dbraw/zinc/62/69/97/341626997.db2.gz	QRRYSNKSLZGKHO-UHFFFAOYSA-N	-1	0	304.306	-0.148	50	0		DBAARM
O=C([O-])[C@@]1(NC(=O)Cn2nc3ccccn3c2=O)CCSC1	ZINC000261848063	526296018	/nfs/dbraw/zinc/29/60/18/526296018.db2.gz	DDRVRIYBPRMSCR-CYBMUJFWSA-N	-1	0	322.346	-0.428	50	0		DBAARM
COCC(=O)N1C[C@@H]2CN(Cc3nnc(C)o3)C[C@]2(C(=O)[O-])C1	ZINC000091536181	803801177	/nfs/dbraw/zinc/80/11/77/803801177.db2.gz	IFVIMDBKVXLUTC-HZMBPMFUSA-N	-1	0	324.337	-0.631	50	0		DBAARM
CC[C@H](CS(=O)(=O)[N-]c1cccnc1S(N)(=O)=O)OC	ZINC000585129651	803878023	/nfs/dbraw/zinc/87/80/23/803878023.db2.gz	QLNQCBCQPYTNEV-MRVPVSSYSA-N	-1	0	323.396	-0.104	50	0		DBAARM
CO[C@H](C)CS(=O)(=O)[N-]c1nonc1NC(=O)C(C)(C)C	ZINC000585129257	803878040	/nfs/dbraw/zinc/87/80/40/803878040.db2.gz	CXJLNHKTFUZTTE-SSDOTTSWSA-N	-1	0	320.371	-0.325	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N[C@@H](Cn1cccn1)c1ccccc1	ZINC000827863929	805354890	/nfs/dbraw/zinc/35/48/90/805354890.db2.gz	GHFOBFQNWUYWQV-LBPRGKRZSA-N	-1	0	312.337	-0.160	50	0		DBAARM
O=C([O-])[C@@H](NC(=O)N1CCN(CCn2cncn2)CC1)C1CC1	ZINC000827946613	805357825	/nfs/dbraw/zinc/35/78/25/805357825.db2.gz	ICCUTBKTWPBQIZ-LBPRGKRZSA-N	-1	0	322.369	-0.532	50	0		DBAARM
N=c1nn[n-]n1CC(=O)NC[C@@H]1CCN(c2ccccc2F)C1	ZINC001506413077	1019841146	/nfs/dbraw/zinc/84/11/46/1019841146.db2.gz	GTEHAFQWRIFOPU-JTQLQIEISA-N	-1	0	319.344	-0.133	50	0		DBAARM
CC(C)[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000002130707	180911495	/nfs/dbraw/zinc/91/14/95/180911495.db2.gz	ZNMIXAAOVBPWSK-LBPRGKRZSA-N	-1	0	319.317	-0.085	50	0	biogenic	DBAARM
COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1	ZINC000003315224	181003422	/nfs/dbraw/zinc/00/34/22/181003422.db2.gz	YBWUYYVFHIGKPL-LDYMZIIASA-N	-1	0	301.320	-0.096	50	0		DBAARM
C[C@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000003415918	181016947	/nfs/dbraw/zinc/01/69/47/181016947.db2.gz	YGHFMUMNUYJCDA-CQSZACIVSA-N	-1	0	321.289	-0.598	50	0		DBAARM
N=C(N)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000004065004	181068494	/nfs/dbraw/zinc/06/84/94/181068494.db2.gz	GIUUWKUFWYCKBW-UHFFFAOYSA-N	-1	0	314.323	-0.338	50	0		DBAARM
N=C(N)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1	ZINC000004187766	181083235	/nfs/dbraw/zinc/08/32/35/181083235.db2.gz	WZJNPXQDBLSULF-AATRIKPKSA-N	-1	0	312.307	-0.562	50	0		DBAARM
CC1(C)O[C@H]2[C@H](n3cnc4c3ncnc4N)O[C@H](C(=O)[O-])[C@H]2O1	ZINC000005033976	181194408	/nfs/dbraw/zinc/19/44/08/181194408.db2.gz	RRTBBKSJPNRFCG-MCHASIABSA-N	-1	0	321.293	-0.089	50	0	in-vitro	DBAARM
O=C([O-])CNC(=O)CNC(=O)N1CC(=O)Nc2ccccc21	ZINC000005482767	181248708	/nfs/dbraw/zinc/24/87/08/181248708.db2.gz	DDUSAMRKKPCIHV-UHFFFAOYSA-N	-1	0	306.278	-0.645	50	0		DBAARM
CCn1cc(NC(=O)/C=C/C(=O)[O-])c(C(=O)NCCOC)n1	ZINC000006490185	181345260	/nfs/dbraw/zinc/34/52/60/181345260.db2.gz	MWNQHJCDMRKMGY-SNAWJCMRSA-N	-1	0	310.310	-0.142	50	0		DBAARM
Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1	ZINC000091625531	193081333	/nfs/dbraw/zinc/08/13/33/193081333.db2.gz	SYGZNIIOOQMGSO-LLVKDONJSA-N	-1	0	320.349	-0.227	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1ncc(=O)c2ccccc21	ZINC000299750201	304134565	/nfs/dbraw/zinc/13/45/65/304134565.db2.gz	MVHVSLDATKBOJA-LBPRGKRZSA-N	-1	0	317.301	-0.292	50	0		DBAARM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1C(=O)CNC1=O	ZINC000299744695	304148728	/nfs/dbraw/zinc/14/87/28/304148728.db2.gz	UHCOJCCDJWHZJC-BBBLOLIVSA-N	-1	0	309.322	-0.218	50	0		DBAARM
CCCCN1C(=O)[N-]C(=O)/C(=C(/C)NN2CCOCC2)C1=O	ZINC000017208802	182080308	/nfs/dbraw/zinc/08/03/08/182080308.db2.gz	HCDOGOIZBQDXEW-ZHACJKMWSA-N	-1	0	310.354	-0.024	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000018007462	182089498	/nfs/dbraw/zinc/08/94/98/182089498.db2.gz	GLYIGPIRTZGEDL-GHMZBOCLSA-N	-1	0	315.285	-0.121	50	0		DBAARM
Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CCO)CC1	ZINC000001029766	374238247	/nfs/dbraw/zinc/23/82/47/374238247.db2.gz	VDWKCMVMTJGBFN-UHFFFAOYSA-N	-1	0	317.367	-0.978	50	0		DBAARM
COCCOC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O	ZINC000071921353	374295959	/nfs/dbraw/zinc/29/59/59/374295959.db2.gz	ACIDHNQUOUCICT-PSASIEDQSA-N	-1	0	323.392	-0.035	50	0		DBAARM
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])CC1	ZINC000012443282	374343831	/nfs/dbraw/zinc/34/38/31/374343831.db2.gz	OQEKVMMFKDKZOV-UHFFFAOYSA-N	-1	0	321.337	-0.256	50	0		DBAARM
NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)o1	ZINC000032628995	374456092	/nfs/dbraw/zinc/45/60/92/374456092.db2.gz	BGTLKTZGFIVWFF-UHFFFAOYSA-N	-1	0	302.308	-0.136	50	0		DBAARM
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000025107314	182401407	/nfs/dbraw/zinc/40/14/07/182401407.db2.gz	GNIQROQYKATZJE-PRHODGIISA-N	-1	0	317.301	-0.488	50	0		DBAARM
O=C([N-]CCNC(=O)c1nc2ncccn2n1)C(F)(F)F	ZINC000067788995	374664556	/nfs/dbraw/zinc/66/45/56/374664556.db2.gz	WHXYLDWCSZRENA-UHFFFAOYSA-N	-1	0	302.216	-0.467	50	0		DBAARM
Cc1oc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1S(N)(=O)=O	ZINC000262845347	375329519	/nfs/dbraw/zinc/32/95/19/375329519.db2.gz	DXPBYXHLMCOJNQ-ZETCQYMHSA-N	-1	0	302.308	-0.075	50	0		DBAARM
Cn1c2[nH]c(N3CCC[C@@H](C(=O)[O-])C3)nc2c(=O)n(C)c1=O	ZINC000004818584	375440181	/nfs/dbraw/zinc/44/01/81/375440181.db2.gz	ILAVTQBRSKOFHV-SSDOTTSWSA-N	-1	0	307.310	-0.739	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1	ZINC000062913951	375978968	/nfs/dbraw/zinc/97/89/68/375978968.db2.gz	CPAQRILIAFMWJM-GWCFXTLKSA-N	-1	0	318.395	-0.019	50	0		DBAARM
C[C@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)C(=O)[O-]	ZINC000218257114	376605451	/nfs/dbraw/zinc/60/54/51/376605451.db2.gz	SBADTDHKYHUYBC-QMMMGPOBSA-N	-1	0	305.294	-0.155	50	0		DBAARM
CN1CCN(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])CC1	ZINC000223013357	376721097	/nfs/dbraw/zinc/72/10/97/376721097.db2.gz	FBEOHEMAPOEVJM-MNOVXSKESA-N	-1	0	301.343	-0.798	50	0		DBAARM
Cn1c(=O)ccn(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1=O	ZINC000261696173	376756892	/nfs/dbraw/zinc/75/68/92/376756892.db2.gz	JNEABZWLGRQRLL-LLVKDONJSA-N	-1	0	323.349	-0.207	50	0		DBAARM
CCN(C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O	ZINC000262381286	376845889	/nfs/dbraw/zinc/84/58/89/376845889.db2.gz	INLOYOCUNYXOHY-MNOVXSKESA-N	-1	0	318.395	-0.020	50	0		DBAARM
O=C([O-])[C@H]1CCCCN1C(=O)CCN1CCCS1(=O)=O	ZINC000262507536	376989022	/nfs/dbraw/zinc/98/90/22/376989022.db2.gz	AHZDHTSXDSIRCJ-SNVBAGLBSA-N	-1	0	304.368	-0.122	50	0		DBAARM
Cc1[nH]c(C(=O)NCCN(C)S(C)(=O)=O)c(C)c1C(=O)[O-]	ZINC000244875057	377098671	/nfs/dbraw/zinc/09/86/71/377098671.db2.gz	XLVMCBFPUYVOSR-UHFFFAOYSA-N	-1	0	317.367	-0.049	50	0		DBAARM
CS(=O)(=O)[N-]C(=O)c1ccc(=O)n(Cc2ccccc2)n1	ZINC000042279249	183249714	/nfs/dbraw/zinc/24/97/14/183249714.db2.gz	FFCRZIMRGXXFKB-UHFFFAOYSA-N	-1	0	307.331	-0.019	50	0		DBAARM
C[C@H](CN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699772	183298191	/nfs/dbraw/zinc/29/81/91/183298191.db2.gz	HDEZTKZCPQZUKZ-NXEZZACHSA-N	-1	0	306.384	-0.020	50	0		DBAARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CNC(=O)N1	ZINC000089346572	380144320	/nfs/dbraw/zinc/14/43/20/380144320.db2.gz	ZTOWKQZYMURZDK-SSDOTTSWSA-N	-1	0	307.335	-0.376	50	0		DBAARM
CCc1noc([C@@H](C)N2CCN(Cc3nn(C)c(=O)[n-]3)CC2)n1	ZINC000095996056	382604386	/nfs/dbraw/zinc/60/43/86/382604386.db2.gz	MBKHVFLAQYTZGU-SNVBAGLBSA-N	-1	0	321.385	-0.067	50	0		DBAARM
CS(=O)(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000380359104	257242182	/nfs/dbraw/zinc/24/21/82/257242182.db2.gz	HNXPUVDFPZQREY-JTQLQIEISA-N	-1	0	300.336	-0.652	50	0		DBAARM
CN1C[C@@]2(CCCN(C(=O)NCCCc3nnn[n-]3)C2)OC1=O	ZINC000426581264	257245794	/nfs/dbraw/zinc/24/57/94/257245794.db2.gz	OKVOIRCHBVDDPO-CYBMUJFWSA-N	-1	0	323.357	-0.242	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1C(N)=O	ZINC000037418502	392009903	/nfs/dbraw/zinc/00/99/03/392009903.db2.gz	ZTXSMSLAORALIK-SECBINFHSA-N	-1	0	315.351	-0.248	50	0		DBAARM
C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O	ZINC000269085127	392411469	/nfs/dbraw/zinc/41/14/69/392411469.db2.gz	LWKCLJHZCJGMHD-OTYXRUKQSA-N	-1	0	309.322	-0.218	50	0		DBAARM
CC(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC000269635514	392422069	/nfs/dbraw/zinc/42/20/69/392422069.db2.gz	MVUQYVHPZXPENE-HZMBPMFUSA-N	-1	0	311.338	-0.068	50	0		DBAARM
Cn1cc(S(=O)(=O)[N-]c2ccccc2O)c(=O)n(C)c1=O	ZINC000019231585	392807314	/nfs/dbraw/zinc/80/73/14/392807314.db2.gz	BSUOVEIZODEYMA-UHFFFAOYSA-N	-1	0	311.319	-0.410	50	0		DBAARM
Cn1cc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000097063571	544618007	/nfs/dbraw/zinc/61/80/07/544618007.db2.gz	YADHHDUQRMYBDI-JGVFFNPUSA-N	-1	0	315.351	-0.344	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCO1	ZINC000262918425	544705990	/nfs/dbraw/zinc/70/59/90/544705990.db2.gz	DRTQVYDZIOGHDU-LBPRGKRZSA-N	-1	0	304.302	-0.046	50	0		DBAARM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1C(=O)CNC1=O	ZINC000299744696	229384711	/nfs/dbraw/zinc/38/47/11/229384711.db2.gz	UHCOJCCDJWHZJC-GUBZILKMSA-N	-1	0	309.322	-0.218	50	0		DBAARM
C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)C[C@@H](C)O1	ZINC000035680407	297050939	/nfs/dbraw/zinc/05/09/39/297050939.db2.gz	SFKXLEVEXICQOW-GHMZBOCLSA-N	-1	0	321.399	-0.957	50	0		DBAARM
C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CCN1S(C)(=O)=O	ZINC000263346992	300168742	/nfs/dbraw/zinc/16/87/42/300168742.db2.gz	UJZNOKGEGFAOGL-AXFHLTTASA-N	-1	0	318.395	-0.020	50	0		DBAARM
Cc1ccn2c(c1)ncc(C(=O)N1CCOC[C@H]1C(=O)[O-])c2=O	ZINC000262402424	302260405	/nfs/dbraw/zinc/26/04/05/302260405.db2.gz	AHBYPXYTISTZTE-NSHDSACASA-N	-1	0	317.301	-0.071	50	0		DBAARM
Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1[C@@H](C)C(=O)[O-]	ZINC000170624202	302325338	/nfs/dbraw/zinc/32/53/38/302325338.db2.gz	LRTMRWKYRFCJMX-ZETCQYMHSA-N	-1	0	305.294	-0.360	50	0		DBAARM
O=C([O-])CN1CCN(C(=O)Cc2[nH]nc3ccccc32)CC1=O	ZINC000534671705	334320667	/nfs/dbraw/zinc/32/06/67/334320667.db2.gz	RECGYHKLLZNRIM-UHFFFAOYSA-N	-1	0	316.317	-0.139	50	0		DBAARM
CN1C(=O)c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1=O	ZINC000263028870	523733332	/nfs/dbraw/zinc/73/33/32/523733332.db2.gz	UHYDVWLNXDGWCG-LLVKDONJSA-N	-1	0	318.285	-0.162	50	0		DBAARM
CS(=O)(=O)CC[C@@H](NC(=O)Nc1cccc[n+]1[O-])C(=O)[O-]	ZINC000005353440	803740167	/nfs/dbraw/zinc/74/01/67/803740167.db2.gz	JZEIOUVKCUUBPH-MRVPVSSYSA-N	-1	0	317.323	-0.671	50	0		DBAARM
CS(=O)(=O)CCNS(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000828561234	805376936	/nfs/dbraw/zinc/37/69/36/805376936.db2.gz	FRQYRRMSSLLUHJ-UHFFFAOYSA-N	-1	0	307.349	-0.292	50	0		DBAARM
Cc1cc(C(F)(F)F)nc(CNC(=O)Cn2[n-]nnc2=N)n1	ZINC000952871740	809008089	/nfs/dbraw/zinc/00/80/89/809008089.db2.gz	CZDCTVRJJOYLLD-UHFFFAOYSA-N	-1	0	316.247	-0.481	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N1CCC(Oc2cccnc2)CC1	ZINC000952986805	809013310	/nfs/dbraw/zinc/01/33/10/809013310.db2.gz	BBBULMKTZUXKOS-UHFFFAOYSA-N	-1	0	303.326	-0.449	50	0		DBAARM
CC(C)(C)NC(=O)CN1CCN(C(=O)NCC(=O)[O-])CC1	ZINC001506408808	1019841177	/nfs/dbraw/zinc/84/11/77/1019841177.db2.gz	XIFCEJZGJGTJFY-UHFFFAOYSA-N	-1	0	300.359	-0.687	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000162189136	197550685	/nfs/dbraw/zinc/55/06/85/197550685.db2.gz	XPTTUBRVNNQPBO-GHMZBOCLSA-N	-1	0	318.395	-0.019	50	0		DBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1	ZINC000004746094	181146909	/nfs/dbraw/zinc/14/69/09/181146909.db2.gz	PHZPBSRZFODIMD-UHFFFAOYSA-N	-1	0	306.727	-0.181	50	0		DBAARM
O=C([O-])[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O	ZINC000006658470	181366667	/nfs/dbraw/zinc/36/66/67/181366667.db2.gz	YAGNZEZXVAHQMT-NSHDSACASA-N	-1	0	302.290	-0.133	50	0		DBAARM
O=C([O-])[C@@H]1CN(Cc2ncccn2)CCN(C(=O)CCO)C1	ZINC000097463716	304132674	/nfs/dbraw/zinc/13/26/74/304132674.db2.gz	QFBBVVAYLNPVRJ-LLVKDONJSA-N	-1	0	308.338	-0.796	50	0		DBAARM
CCn1cc(NC(=O)c2nn(C)cc2C(=O)[O-])c(C(N)=O)n1	ZINC000020614324	182238432	/nfs/dbraw/zinc/23/84/32/182238432.db2.gz	NENFWAJAFOTPMZ-UHFFFAOYSA-N	-1	0	306.282	-0.314	50	0		DBAARM
Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1	ZINC000003155666	374259976	/nfs/dbraw/zinc/25/99/76/374259976.db2.gz	YDNYEJZZJXFADP-SNVBAGLBSA-N	-1	0	300.336	-0.008	50	0		DBAARM
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)[O-]	ZINC000007262441	374286895	/nfs/dbraw/zinc/28/68/95/374286895.db2.gz	LEJQKBWHZBPLPW-SNVBAGLBSA-N	-1	0	314.338	-0.088	50	0		DBAARM
COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000012506164	374343924	/nfs/dbraw/zinc/34/39/24/374343924.db2.gz	YBWUYYVFHIGKPL-KCJUWKMLSA-N	-1	0	301.320	-0.096	50	0		DBAARM
C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)[O-])C1=O	ZINC000021960905	182300466	/nfs/dbraw/zinc/30/04/66/182300466.db2.gz	YIZTXJMPQLWAKJ-ZDUSSCGKSA-N	-1	0	316.277	-0.486	50	0		DBAARM
Cn1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000268950784	374430275	/nfs/dbraw/zinc/43/02/75/374430275.db2.gz	STVCJFJIGDCYCJ-MVIFTORASA-N	-1	0	321.333	-0.580	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C(C)=O)cc3)c(=O)c1-2	ZINC000100639088	374464367	/nfs/dbraw/zinc/46/43/67/374464367.db2.gz	GLYIGPIRTZGEDL-MNOVXSKESA-N	-1	0	315.285	-0.121	50	0		DBAARM
O=C([O-])C1(O)CCN(c2nccc(N3CCC[C@H](O)C3)n2)CC1	ZINC000071479636	374688092	/nfs/dbraw/zinc/68/80/92/374688092.db2.gz	KNCYCYOZFUKYNF-NSHDSACASA-N	-1	0	322.365	-0.146	50	0		DBAARM
O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CC[NH2+]C[C@H](O)C1	ZINC000097743659	374878161	/nfs/dbraw/zinc/87/81/61/374878161.db2.gz	SEEQAFFCFJKSCI-LBPRGKRZSA-N	-1	0	318.333	-0.851	50	0		DBAARM
C[C@H]1Cc2cc(C(=O)CC3(O)C(=O)[N-]C(=O)NC3=O)ccc2O1	ZINC000226795209	375086900	/nfs/dbraw/zinc/08/69/00/375086900.db2.gz	RCHNUTZTFGPTHV-ZETCQYMHSA-N	-1	0	318.285	-0.320	50	0		DBAARM
CCN(C1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O	ZINC000262381289	375148664	/nfs/dbraw/zinc/14/86/64/375148664.db2.gz	INLOYOCUNYXOHY-QWRGUYRKSA-N	-1	0	318.395	-0.020	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000062132473	375307799	/nfs/dbraw/zinc/30/77/99/375307799.db2.gz	WQANXMPALIZLAC-ZETCQYMHSA-N	-1	0	301.324	-0.781	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000000546374	375524148	/nfs/dbraw/zinc/52/41/48/375524148.db2.gz	FBRLBIDHJMXJSN-GHMZBOCLSA-N	-1	0	315.285	-0.121	50	0		DBAARM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1Cl	ZINC000035085398	182751472	/nfs/dbraw/zinc/75/14/72/182751472.db2.gz	GTVDPIKIVABTDY-UHFFFAOYSA-N	-1	0	306.727	-0.181	50	0		DBAARM
O=C(Cc1c[nH]c(=O)[nH]c1=O)NCc1nc2cc(F)ccc2[nH]1	ZINC000216164820	376558258	/nfs/dbraw/zinc/55/82/58/376558258.db2.gz	WIYSBGNHQJDGQO-UHFFFAOYSA-N	-1	0	317.280	-0.063	50	0		DBAARM
Cc1ccc(NCCCNC(=O)C[C@@H]2NC(=O)NC2=O)nc1	ZINC000216154175	376558650	/nfs/dbraw/zinc/55/86/50/376558650.db2.gz	HQOCZALDUMZZQO-JTQLQIEISA-N	-1	0	305.338	-0.094	50	0		DBAARM
Cc1cc(=O)cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])[nH]1	ZINC000219430113	376623760	/nfs/dbraw/zinc/62/37/60/376623760.db2.gz	PBYDFXSBXLCZJR-ZYHUDNBSSA-N	-1	0	310.306	-0.328	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCO1	ZINC000262921636	377103913	/nfs/dbraw/zinc/10/39/13/377103913.db2.gz	FAELIYSZNCUGKO-LBPRGKRZSA-N	-1	0	317.305	-0.483	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCO1	ZINC000262935134	377106985	/nfs/dbraw/zinc/10/69/85/377106985.db2.gz	GVZICYCJRGECQV-PWSUYJOCSA-N	-1	0	322.317	-0.060	50	0		DBAARM
CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000262924688	377280401	/nfs/dbraw/zinc/28/04/01/377280401.db2.gz	ZRRUAIAALCHYCV-GHMZBOCLSA-N	-1	0	312.347	-0.068	50	0		DBAARM
CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000262924693	377280937	/nfs/dbraw/zinc/28/09/37/377280937.db2.gz	ZRRUAIAALCHYCV-WDEREUQCSA-N	-1	0	312.347	-0.068	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)C1	ZINC000218275689	378042591	/nfs/dbraw/zinc/04/25/91/378042591.db2.gz	COHVZDWQEYRHKJ-NXEZZACHSA-N	-1	0	304.368	-0.409	50	0		DBAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCOCCO	ZINC000049546605	378590762	/nfs/dbraw/zinc/59/07/62/378590762.db2.gz	RKNLTQUBOXYECN-UHFFFAOYSA-N	-1	0	310.306	-0.243	50	0		DBAARM
Cc1ccc(O)c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1	ZINC000170091329	380681980	/nfs/dbraw/zinc/68/19/80/380681980.db2.gz	YTKQXOCHCHVSKU-UHFFFAOYSA-N	-1	0	300.336	-0.104	50	0		DBAARM
O=C([O-])[C@H]1CCCN(C(=O)Cn2nc3ccccn3c2=O)C1	ZINC000238071415	381060510	/nfs/dbraw/zinc/06/05/10/381060510.db2.gz	KMUUPHKHHBOQBV-JTQLQIEISA-N	-1	0	304.306	-0.181	50	0		DBAARM
CC(=O)NCC1CCN(C(=O)Cn2[n-]c(=O)ccc2=O)CC1	ZINC000061634393	184179473	/nfs/dbraw/zinc/17/94/73/184179473.db2.gz	XZVYJBIEDQRHII-UHFFFAOYSA-N	-1	0	308.338	-0.676	50	0		DBAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](C(=O)[O-])C2)C1	ZINC000062119104	184206752	/nfs/dbraw/zinc/20/67/52/184206752.db2.gz	COHVZDWQEYRHKJ-ZJUUUORDSA-N	-1	0	304.368	-0.409	50	0		DBAARM
CCS(=O)(=O)NC[C@@H](C)[NH2+]CCc1nc(N)cc(=O)[nH]1	ZINC000584899013	382344847	/nfs/dbraw/zinc/34/48/47/382344847.db2.gz	KSNHEKQAJSHCTF-MRVPVSSYSA-N	-1	0	303.388	-0.776	50	0		DBAARM
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000020593341	382599929	/nfs/dbraw/zinc/59/99/29/382599929.db2.gz	DXFMKRCRHDBKBH-UHFFFAOYSA-N	-1	0	302.308	-0.169	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccn(C)n3)[C@@H]2SC1	ZINC000002735295	382631775	/nfs/dbraw/zinc/63/17/75/382631775.db2.gz	ILTWKXWHLKKWPC-UFBFGSQYSA-N	-1	0	322.346	-0.208	50	0		DBAARM
CCCn1c(C)cn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C	ZINC000008992761	382677707	/nfs/dbraw/zinc/67/77/07/382677707.db2.gz	XHTILVZFQGEHGO-UHFFFAOYSA-N	-1	0	319.321	-0.048	50	0		DBAARM
CS(=O)(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000426683970	257244734	/nfs/dbraw/zinc/24/47/34/257244734.db2.gz	VADSYLACHCNRBI-NSHDSACASA-N	-1	0	314.363	-0.262	50	0		DBAARM
COC(=O)C1(CNC(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1	ZINC000585131994	392881762	/nfs/dbraw/zinc/88/17/62/392881762.db2.gz	MJEAWHDYUFAGBH-UHFFFAOYSA-N	-1	0	316.321	-0.242	50	0		DBAARM
CC(C)N(CC(=O)[O-])C(=O)C1CCN(S(C)(=O)=O)CC1	ZINC000037993650	393711046	/nfs/dbraw/zinc/71/10/46/393711046.db2.gz	KQDKCTXKLYWCQA-UHFFFAOYSA-N	-1	0	306.384	-0.020	50	0		DBAARM
Cc1nn2c([n-]1)nc(CN1CCN3C(=O)OC[C@@H]3C1)cc2=O	ZINC000670441791	544703126	/nfs/dbraw/zinc/70/31/26/544703126.db2.gz	COVUFNKBEVZHKR-JTQLQIEISA-N	-1	0	304.310	-0.225	50	0		DBAARM
Cc1ccc(NC(=O)CCNC(=O)Cn2[n-]nnc2=N)c(C)c1	ZINC000670454391	544705957	/nfs/dbraw/zinc/70/59/57/544705957.db2.gz	MGOXUDWRKMSWKI-UHFFFAOYSA-N	-1	0	317.353	-0.152	50	0		DBAARM
O=C([O-])[C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1	ZINC000299742197	229380379	/nfs/dbraw/zinc/38/03/79/229380379.db2.gz	IPNASCRQHVUMAW-VIFPVBQESA-N	-1	0	302.290	-0.275	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1	ZINC000681943716	544988784	/nfs/dbraw/zinc/98/87/84/544988784.db2.gz	NTVPHAGIBINUKS-VXGBXAGGSA-N	-1	0	314.338	-0.817	50	0		DBAARM
NS(=O)(=O)c1cc([O-])c2c(cccc2S(N)(=O)=O)c1	ZINC000002473055	295287263	/nfs/dbraw/zinc/28/72/63/295287263.db2.gz	PBLUHIIMVNAHLF-UHFFFAOYSA-N	-1	0	302.333	-0.160	50	0		DBAARM
Cn1c(=O)ccn(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1=O	ZINC000261696178	302893597	/nfs/dbraw/zinc/89/35/97/302893597.db2.gz	JNEABZWLGRQRLL-NSHDSACASA-N	-1	0	323.349	-0.207	50	0		DBAARM
C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000262415282	525498328	/nfs/dbraw/zinc/49/83/28/525498328.db2.gz	MDPJTABVVIKVQG-QMMMGPOBSA-N	-1	0	304.368	-0.220	50	0		DBAARM
C[C@@]1(C(=O)[O-])CCN(C(=O)CCN2CCCS2(=O)=O)C1	ZINC000347487639	525816135	/nfs/dbraw/zinc/81/61/35/525816135.db2.gz	BGLGFHHUYPZPKC-GFCCVEGCSA-N	-1	0	304.368	-0.265	50	0		DBAARM
CNC(=O)c1[nH]nnc1[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000874434658	677459190	/nfs/dbraw/zinc/45/91/90/677459190.db2.gz	ZCRPDZIERIBGGR-UHFFFAOYSA-N	-1	0	323.334	-0.005	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N[C@H](Cn1cccn1)c1ccccc1	ZINC000827863928	805353441	/nfs/dbraw/zinc/35/34/41/805353441.db2.gz	GHFOBFQNWUYWQV-GFCCVEGCSA-N	-1	0	312.337	-0.160	50	0		DBAARM
CNC(=O)c1ccc(S(=O)(=O)NCCCc2nnn[n-]2)cc1	ZINC001506428272	1019843058	/nfs/dbraw/zinc/84/30/58/1019843058.db2.gz	OWWDJKPDUBEDSC-UHFFFAOYSA-N	-1	0	324.366	-0.530	50	0		DBAARM
Cn1c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2n(C)c1=O	ZINC000001050090	180842596	/nfs/dbraw/zinc/84/25/96/180842596.db2.gz	PCENVEHIUBDTOJ-UHFFFAOYSA-N	-1	0	313.335	-0.370	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cnn(C)c3)[C@H]2SC1	ZINC000002782849	180956706	/nfs/dbraw/zinc/95/67/06/180956706.db2.gz	MNLBPGZCZKMAFX-PRHODGIISA-N	-1	0	322.346	-0.208	50	0		DBAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1	ZINC000003201336	180990917	/nfs/dbraw/zinc/99/09/17/180990917.db2.gz	ZHGRWRHFXFHHCV-HQJQHLMTSA-N	-1	0	316.335	-0.243	50	0		DBAARM
O=C([O-])[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004282222	181093207	/nfs/dbraw/zinc/09/32/07/181093207.db2.gz	KUYNOZVWCFXSNE-BYNIDDHOSA-N	-1	0	309.274	-0.561	50	0	endogenous,in-man	DBAARM
C[C@@H](CN(C)C(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-]	ZINC000042699770	295880473	/nfs/dbraw/zinc/88/04/73/295880473.db2.gz	HDEZTKZCPQZUKZ-VHSXEESVSA-N	-1	0	306.384	-0.020	50	0		DBAARM
CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc([O-])cc(=O)[nH]1	ZINC000004903358	181170690	/nfs/dbraw/zinc/17/06/90/181170690.db2.gz	UUIUXSMLGJHMPL-UHFFFAOYSA-N	-1	0	312.307	-0.485	50	0		DBAARM
COc1ccc(NC(=O)/C=c2\[nH]c(=O)/c(=C\C(=O)[O-])s2)cc1	ZINC000005242805	181220413	/nfs/dbraw/zinc/22/04/13/181220413.db2.gz	VJAGWHSOSISATO-QXZILWSFSA-N	-1	0	320.326	-0.271	50	0		DBAARM
NC(=O)Cn1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CCC3	ZINC000006759120	181384501	/nfs/dbraw/zinc/38/45/01/181384501.db2.gz	SVGZDEYCBMPSDB-UHFFFAOYSA-N	-1	0	323.330	-0.717	50	0		DBAARM
Cc1cn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[nH]c1=O	ZINC000091518599	193067726	/nfs/dbraw/zinc/06/77/26/193067726.db2.gz	XBMXAPKNHRCLJQ-WDEREUQCSA-N	-1	0	321.333	-0.586	50	0		DBAARM
CCC[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000091769573	193104264	/nfs/dbraw/zinc/10/42/64/193104264.db2.gz	QNKHESDBMBRZKL-GHMZBOCLSA-N	-1	0	306.384	-0.004	50	0		DBAARM
CCN(C)S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-]	ZINC000092106911	284355743	/nfs/dbraw/zinc/35/57/43/284355743.db2.gz	IUCOPFLGOBIMEO-SECBINFHSA-N	-1	0	319.383	-0.762	50	0		DBAARM
NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1	ZINC000020593377	182235422	/nfs/dbraw/zinc/23/54/22/182235422.db2.gz	UGKHWEDEMZUOSZ-UHFFFAOYSA-N	-1	0	302.308	-0.136	50	0		DBAARM
Cc1cn([C@H]2CC[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000001610269	374271708	/nfs/dbraw/zinc/27/17/08/374271708.db2.gz	WVNRRNJFRREKAR-JGVFFNPUSA-N	-1	0	306.211	-0.368	50	0	in-vivo	DBAARM
Cc1cc(=O)n2nc(CC(=O)NCCc3c[nH]cn3)[n-]c2n1	ZINC000013570747	374353462	/nfs/dbraw/zinc/35/34/62/374353462.db2.gz	UVKOGUSECDWEHO-UHFFFAOYSA-N	-1	0	301.310	-0.237	50	0		DBAARM
CNC(=O)c1nn(C)cc1NC(=O)c1c(C(=O)[O-])cnn1C	ZINC000020602673	374394658	/nfs/dbraw/zinc/39/46/58/374394658.db2.gz	HOVHWYNVOPQDSY-UHFFFAOYSA-N	-1	0	306.282	-0.536	50	0		DBAARM
Cn1cc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)n(C)c1=O	ZINC000268950787	374429867	/nfs/dbraw/zinc/42/98/67/374429867.db2.gz	STVCJFJIGDCYCJ-QRGHLMKCSA-N	-1	0	321.333	-0.580	50	0		DBAARM
Cn1c2nc(Br)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000013512460	374544480	/nfs/dbraw/zinc/54/44/80/374544480.db2.gz	RDDVQWWSPGFFNR-UHFFFAOYSA-N	-1	0	303.072	-0.730	50	0		DBAARM
CCCCC(=O)N1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077470369	374722173	/nfs/dbraw/zinc/72/21/73/374722173.db2.gz	PXNQPMJPMINPGG-MNOVXSKESA-N	-1	0	318.395	-0.429	50	0		DBAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC2(CC1)OCCC[C@@H]2O	ZINC000092028221	374802419	/nfs/dbraw/zinc/80/24/19/374802419.db2.gz	BQEDQOZAXAMRAW-NSHDSACASA-N	-1	0	323.349	-0.862	50	0		DBAARM
Nc1ncccc1CN1CCN(C(=O)CO)C[C@@H](C(=O)[O-])C1	ZINC000097307094	374867688	/nfs/dbraw/zinc/86/76/88/374867688.db2.gz	YPLWFKKSCWXMRS-NSHDSACASA-N	-1	0	308.338	-0.999	50	0		DBAARM
C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000032917724	182679715	/nfs/dbraw/zinc/67/97/15/182679715.db2.gz	ZADOUHUTHDLNIA-LURJTMIESA-N	-1	0	300.292	-0.231	50	0		DBAARM
O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c[nH]c(=O)[nH]c1=O	ZINC000215188103	376515055	/nfs/dbraw/zinc/51/50/55/376515055.db2.gz	QGPFKFAXXHMRPZ-LLVKDONJSA-N	-1	0	322.365	-0.564	50	0		DBAARM
CN(Cc1[nH]nc2c1CCCC2)C(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000215878711	376549359	/nfs/dbraw/zinc/54/93/59/376549359.db2.gz	IMSXUBAPNMUBSX-UHFFFAOYSA-N	-1	0	317.349	-0.134	50	0		DBAARM
Cc1ccc(NCCCNC(=O)C[C@H]2NC(=O)NC2=O)nc1	ZINC000216154134	376558404	/nfs/dbraw/zinc/55/84/04/376558404.db2.gz	HQOCZALDUMZZQO-SNVBAGLBSA-N	-1	0	305.338	-0.094	50	0		DBAARM
Cn1nccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-]	ZINC000218643150	376610632	/nfs/dbraw/zinc/61/06/32/376610632.db2.gz	IDAMMVNCCJLJPT-VXGBXAGGSA-N	-1	0	311.338	-0.272	50	0		DBAARM
O=C([O-])[C@H]1COCCN1C(=O)Cn1ncc(=O)c2ccccc21	ZINC000299750200	304199708	/nfs/dbraw/zinc/19/97/08/304199708.db2.gz	MVHVSLDATKBOJA-GFCCVEGCSA-N	-1	0	317.301	-0.292	50	0		DBAARM
O=C([O-])[C@@H]1CCCCN1C(=O)CCN1CCCS1(=O)=O	ZINC000262608439	377040365	/nfs/dbraw/zinc/04/03/65/377040365.db2.gz	AHZDHTSXDSIRCJ-JTQLQIEISA-N	-1	0	304.368	-0.122	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCO1	ZINC000262984955	377105235	/nfs/dbraw/zinc/10/52/35/377105235.db2.gz	NNKFWNICLFYNFG-LLVKDONJSA-N	-1	0	317.305	-0.348	50	0		DBAARM
CCOc1ccncc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1=O	ZINC000296003912	378016602	/nfs/dbraw/zinc/01/66/02/378016602.db2.gz	MGWZSRLSLAIYBC-MRVPVSSYSA-N	-1	0	313.335	-0.484	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000218274002	378040643	/nfs/dbraw/zinc/04/06/43/378040643.db2.gz	ORSSQZAKKPHCPR-ZJUUUORDSA-N	-1	0	304.368	-0.266	50	0		DBAARM
CC(C)c1noc([C@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)n1	ZINC000299764345	378051519	/nfs/dbraw/zinc/05/15/19/378051519.db2.gz	ULAFBONMBWZMKA-ZETCQYMHSA-N	-1	0	307.310	-0.011	50	0		DBAARM
COc1ccc2c(ccn2CC(=O)NCC(=O)NCC(=O)[O-])c1	ZINC000032123951	378171105	/nfs/dbraw/zinc/17/11/05/378171105.db2.gz	BFVLLOJQDMYEPD-UHFFFAOYSA-N	-1	0	319.317	-0.033	50	0	biogenic	DBAARM
Cn1ccnc1CN1CCN(c2ncccn2)C[C@H]1C(=O)[O-]	ZINC000106955035	378494356	/nfs/dbraw/zinc/49/43/56/378494356.db2.gz	ZCCCTSWKJFXPBN-NSHDSACASA-N	-1	0	302.338	-0.015	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@H](c3ccc(O)cc3)C2)c(=O)n(C)c1=O	ZINC000101761740	378593372	/nfs/dbraw/zinc/59/33/72/378593372.db2.gz	ZVPRVEYHKDJPAY-JTQLQIEISA-N	-1	0	316.317	-0.066	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@@H](c3cccc(O)c3)C2)c(=O)n(C)c1=O	ZINC000101761757	378593467	/nfs/dbraw/zinc/59/34/67/378593467.db2.gz	PYDCNVUXOOULRU-SNVBAGLBSA-N	-1	0	316.317	-0.066	50	0		DBAARM
Cc1cc(=O)n2nc(CC(=O)NCCc3c[nH]cn3)[n-]c2n1	ZINC000101432282	379839419	/nfs/dbraw/zinc/83/94/19/379839419.db2.gz	KATZNWKVFHRWTH-UHFFFAOYSA-N	-1	0	301.310	-0.649	50	0		DBAARM
CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-]	ZINC000007425604	380717052	/nfs/dbraw/zinc/71/70/52/380717052.db2.gz	CKFKYCFUIXDVND-UHFFFAOYSA-N	-1	0	309.326	-0.414	50	0		DBAARM
C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1	ZINC000062913521	184259429	/nfs/dbraw/zinc/25/94/29/184259429.db2.gz	DCZDTUDCDWVTAX-CABZTGNLSA-N	-1	0	304.368	-0.266	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cnn(C)c3)[C@@H]2SC1	ZINC000002782846	382634122	/nfs/dbraw/zinc/63/41/22/382634122.db2.gz	MNLBPGZCZKMAFX-UFBFGSQYSA-N	-1	0	322.346	-0.208	50	0		DBAARM
CC(=O)OC[C@@H]1O[C@H](OC(=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000230233271	382640159	/nfs/dbraw/zinc/64/01/59/382640159.db2.gz	ZMFPMGLQGQUKQV-ZRUFSTJUSA-N	-1	0	320.250	-0.168	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)CCO1	ZINC000362571704	220814816	/nfs/dbraw/zinc/81/48/16/220814816.db2.gz	ASTAAYJZDASIKY-ZDUSSCGKSA-N	-1	0	317.301	-0.292	50	0		DBAARM
COCc1ccc(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)o1	ZINC000072408846	256545764	/nfs/dbraw/zinc/54/57/64/256545764.db2.gz	BJVLLEYHNUOWGQ-LKFCYVNXSA-N	-1	0	308.290	-0.301	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1cnc2ccccc2c1=O	ZINC000268995119	256625225	/nfs/dbraw/zinc/62/52/25/256625225.db2.gz	VOHRTSPMWYOQID-LBPRGKRZSA-N	-1	0	317.301	-0.292	50	0		DBAARM
CS(=O)(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000315152407	257243002	/nfs/dbraw/zinc/24/30/02/257243002.db2.gz	XPCYYGCQGQFJSJ-NSHDSACASA-N	-1	0	312.347	-0.426	50	0		DBAARM
Cn1c(=O)c(C(=O)NCCc2nn[n-]n2)cc2c1CCCC2	ZINC000426738991	257243464	/nfs/dbraw/zinc/24/34/64/257243464.db2.gz	FDZCYOLKNLJZEF-UHFFFAOYSA-N	-1	0	302.338	-0.250	50	0		DBAARM
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)[O-])C1=O	ZINC000269125028	392411835	/nfs/dbraw/zinc/41/18/35/392411835.db2.gz	JCEFMYMDXZEASJ-CQSZACIVSA-N	-1	0	323.280	-0.207	50	0		DBAARM
O=C([O-])/C=C\c1ccc(S(=O)(=O)N(CCO)CCO)cc1	ZINC000006975098	392671846	/nfs/dbraw/zinc/67/18/46/392671846.db2.gz	PXRHVZSLYVYUQM-UTCJRWHESA-N	-1	0	315.347	-0.240	50	0		DBAARM
O=C([O-])[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)CCO1	ZINC000043701749	132156025	/nfs/dbraw/zinc/15/60/25/132156025.db2.gz	QNXSYTBPAKHUQS-QMMMGPOBSA-N	-1	0	309.307	-0.351	50	0		DBAARM
CN(C)C(=O)CN1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1	ZINC000071283166	288958401	/nfs/dbraw/zinc/95/84/01/288958401.db2.gz	GEEAPLINQLHLHB-NWDGAFQWSA-N	-1	0	311.382	-0.424	50	0		DBAARM
CN1CCC[C@]2(CCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)C1=O	ZINC000091679949	290001011	/nfs/dbraw/zinc/00/10/11/290001011.db2.gz	UXAYHMDDBIQCLR-OAHLLOKOSA-N	-1	0	320.349	-0.511	50	0		DBAARM
Cc1ccn2c(c1)ncc(C(=O)N1CCOC[C@@H]1C(=O)[O-])c2=O	ZINC000262402422	302260396	/nfs/dbraw/zinc/26/03/96/302260396.db2.gz	AHBYPXYTISTZTE-LLVKDONJSA-N	-1	0	317.301	-0.071	50	0		DBAARM
Cc1cn([C@@H]2C[C@@H]3O[P@@](=O)([O-])OC[C@@H]3O2)c(=O)[nH]c1=O	ZINC000003875127	302320699	/nfs/dbraw/zinc/32/06/99/302320699.db2.gz	QSJFDOVQWZVUQG-FXQIFTODSA-N	-1	0	304.195	-0.352	50	0	in-vitro	DBAARM
Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1[C@H](C)C(=O)[O-]	ZINC000170624203	302325386	/nfs/dbraw/zinc/32/53/86/302325386.db2.gz	LRTMRWKYRFCJMX-SSDOTTSWSA-N	-1	0	305.294	-0.360	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)CCO1	ZINC000262949470	526330743	/nfs/dbraw/zinc/33/07/43/526330743.db2.gz	IMTBWGVWYDDNSG-SNVBAGLBSA-N	-1	0	305.352	-0.344	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000299745573	528202783	/nfs/dbraw/zinc/20/27/83/528202783.db2.gz	RDJPSSQSRZIKBI-GFCCVEGCSA-N	-1	0	306.384	-0.019	50	0		DBAARM
CCCCn1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1=O	ZINC000299740984	529087901	/nfs/dbraw/zinc/08/79/01/529087901.db2.gz	CPHWSTQPZWMOLS-LLVKDONJSA-N	-1	0	309.322	-0.031	50	0		DBAARM
CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000299743022	529219883	/nfs/dbraw/zinc/21/98/83/529219883.db2.gz	LPIGGZVOKFGJOX-IVZWLZJFSA-N	-1	0	306.384	-0.117	50	0		DBAARM
Cc1nc(C)c(CC(=O)NCCSc2nnnn2C)c(=O)[nH]1	ZINC000827847781	805353459	/nfs/dbraw/zinc/35/34/59/805353459.db2.gz	OBMCATFYZUXBLE-UHFFFAOYSA-N	-1	0	323.382	-0.226	50	0		DBAARM
Cc1cccnc1N1CCN(C(=O)Cn2[n-]nnc2=N)CC1	ZINC000952978664	809013086	/nfs/dbraw/zinc/01/30/86/809013086.db2.gz	ZAHYOPWJDBQBSS-UHFFFAOYSA-N	-1	0	302.342	-0.862	50	0		DBAARM
Cc1nc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cn1C	ZINC000072162028	191062287	/nfs/dbraw/zinc/06/22/87/191062287.db2.gz	OYEDTEZKSXCEKG-VIFPVBQESA-N	-1	0	303.340	-0.407	50	0		DBAARM
Cn1c2nc(N3CCCCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000000190855	180720704	/nfs/dbraw/zinc/72/07/04/180720704.db2.gz	RQVOAZYXPLQOIP-UHFFFAOYSA-N	-1	0	307.310	-0.502	50	0		DBAARM
CC(=O)c1c([O-])[nH]c(=O)n(CCCCCCNC(N)=O)c1=O	ZINC000004029355	181064405	/nfs/dbraw/zinc/06/44/05/181064405.db2.gz	ICJZZRPJUJECKJ-UHFFFAOYSA-N	-1	0	312.326	-0.327	50	0	biogenic	DBAARM
Cn1c(=O)[nH]cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1=O	ZINC000091626093	193081266	/nfs/dbraw/zinc/08/12/66/193081266.db2.gz	KAAVGDRQMHWLDN-WDEREUQCSA-N	-1	0	321.333	-0.815	50	0		DBAARM
Cc1ccn(CC(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])n1	ZINC000091625530	193081887	/nfs/dbraw/zinc/08/18/87/193081887.db2.gz	SYGZNIIOOQMGSO-NSHDSACASA-N	-1	0	320.349	-0.227	50	0		DBAARM
NS(=O)(=O)c1ccc(CCNC(=O)COCC(=O)[O-])cc1	ZINC000017053708	182071272	/nfs/dbraw/zinc/07/12/72/182071272.db2.gz	LQHXTBGFRRXBAW-UHFFFAOYSA-N	-1	0	316.335	-0.906	50	0		DBAARM
O=C([O-])c1nccnc1C(=O)N1CCN(c2ncccn2)CC1	ZINC000004334728	374267830	/nfs/dbraw/zinc/26/78/30/374267830.db2.gz	XPISXYHLURFLHL-UHFFFAOYSA-N	-1	0	314.305	-0.073	50	0		DBAARM
CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000221693430	374281024	/nfs/dbraw/zinc/28/10/24/374281024.db2.gz	CAMZCGLLGVHZHS-VHSXEESVSA-N	-1	0	320.367	-0.888	50	0		DBAARM
CC(C)n1cnnc1CCNC(=O)Cc1cc(=O)[nH][n-]c1=O	ZINC000584902765	374243653	/nfs/dbraw/zinc/24/36/53/374243653.db2.gz	WWAXJPKRJJGYNZ-UHFFFAOYSA-N	-1	0	306.326	-0.038	50	0		DBAARM
O=C(Cn1[n-]c(=O)ccc1=O)Nc1cccc(-n2cnnn2)c1	ZINC000014189947	374362451	/nfs/dbraw/zinc/36/24/51/374362451.db2.gz	DFCNOVALOTYREG-UHFFFAOYSA-N	-1	0	313.277	-0.849	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cnnn2)c1	ZINC000268977133	374440114	/nfs/dbraw/zinc/44/01/14/374440114.db2.gz	KNWKSJRVWUTSCO-NSHDSACASA-N	-1	0	303.278	-0.412	50	0		DBAARM
CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	ZINC000032917510	374459821	/nfs/dbraw/zinc/45/98/21/374459821.db2.gz	ASNQSIBASOFEOP-UHFFFAOYSA-N	-1	0	300.292	-0.163	50	0		DBAARM
Cn1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1	ZINC000023371883	182358643	/nfs/dbraw/zinc/35/86/43/182358643.db2.gz	QGQBBGXKCXBJQT-UHFFFAOYSA-N	-1	0	321.318	-0.249	50	0		DBAARM
CCOC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1S(N)(=O)=O	ZINC000067172470	374660777	/nfs/dbraw/zinc/66/07/77/374660777.db2.gz	ULVGUAOXKFRROF-UHFFFAOYSA-N	-1	0	316.291	-0.466	50	0		DBAARM
C[C@]1(c2ccc(C(=O)NCCC(=O)[O-])cc2)NC(=O)NC1=O	ZINC000262180474	375016434	/nfs/dbraw/zinc/01/64/34/375016434.db2.gz	FGPPGJXQCIZUIB-CQSZACIVSA-N	-1	0	305.290	-0.054	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCO1	ZINC000315237753	376669430	/nfs/dbraw/zinc/66/94/30/376669430.db2.gz	XMSRGORCGPXBOJ-LLVKDONJSA-N	-1	0	306.274	-0.057	50	0		DBAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)OCC(=O)c1ccccc1	ZINC000032913709	376689661	/nfs/dbraw/zinc/68/96/61/376689661.db2.gz	YCBSMNSDCONMEG-UHFFFAOYSA-N	-1	0	303.274	-0.183	50	0		DBAARM
O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000324286209	376732060	/nfs/dbraw/zinc/73/20/60/376732060.db2.gz	QZALUPSXGXBNMK-JQWIXIFHSA-N	-1	0	317.301	-0.205	50	0		DBAARM
O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(-n2cnnn2)cc1	ZINC000262546992	377024475	/nfs/dbraw/zinc/02/44/75/377024475.db2.gz	WFBBNYPXABGZPI-LBPRGKRZSA-N	-1	0	317.305	-0.483	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C(C)=O)c3)c(=O)c1-2	ZINC000100166210	378574300	/nfs/dbraw/zinc/57/43/00/378574300.db2.gz	FBRLBIDHJMXJSN-MNOVXSKESA-N	-1	0	315.285	-0.121	50	0		DBAARM
CC[C@@H](O)CN1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1	ZINC000089943332	381020576	/nfs/dbraw/zinc/02/05/76/381020576.db2.gz	DWJJXIFYPOTHRV-CYBMUJFWSA-N	-1	0	322.409	-0.156	50	0		DBAARM
COC(=O)CCS(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C	ZINC000253424398	382341038	/nfs/dbraw/zinc/34/10/38/382341038.db2.gz	FLLGSCMYHRZYHD-UHFFFAOYSA-N	-1	0	322.383	-0.452	50	0		DBAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)Nc1n[nH]c2ccccc21	ZINC000095477586	382598791	/nfs/dbraw/zinc/59/87/91/382598791.db2.gz	LRURSBPAKIBDPC-UHFFFAOYSA-N	-1	0	300.278	-0.094	50	0		DBAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cnn(C)c3)[C@H]2SC1	ZINC000002782847	382633850	/nfs/dbraw/zinc/63/38/50/382633850.db2.gz	MNLBPGZCZKMAFX-QPUJVOFHSA-N	-1	0	322.346	-0.208	50	0		DBAARM
CCOC(=O)c1nc2c(nc(N3CCCC3)[nH]c2=O)[n-]c1=O	ZINC000005728093	392357463	/nfs/dbraw/zinc/35/74/63/392357463.db2.gz	PYWTZQYGZCQZQT-UHFFFAOYSA-N	-1	0	305.294	-0.217	50	0		DBAARM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1	ZINC000216982557	392833569	/nfs/dbraw/zinc/83/35/69/392833569.db2.gz	QLKGHJCDZTUTIH-CQSZACIVSA-N	-1	0	309.322	-0.209	50	0		DBAARM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1	ZINC000681943126	544988213	/nfs/dbraw/zinc/98/82/13/544988213.db2.gz	SVWQHKUSCYVYJI-RYUDHWBXSA-N	-1	0	314.338	-0.674	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])C1	ZINC000037435330	295520273	/nfs/dbraw/zinc/52/02/73/295520273.db2.gz	ZNJFAFGTTQGGOQ-VHSXEESVSA-N	-1	0	304.368	-0.266	50	0		DBAARM
NC(=O)CS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2	ZINC000096013334	303253780	/nfs/dbraw/zinc/25/37/80/303253780.db2.gz	ORKNOXALRQWNFW-UHFFFAOYSA-N	-1	0	300.292	-0.997	50	0		DBAARM
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1cc(N)ncn1)CC2	ZINC000092028476	332117908	/nfs/dbraw/zinc/11/79/08/332117908.db2.gz	QLJDOBGQJFTAMU-SECBINFHSA-N	-1	0	305.338	-0.039	50	0		DBAARM
CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])s1	ZINC000262737470	522286807	/nfs/dbraw/zinc/28/68/07/522286807.db2.gz	IPQFSZAVKMYGIY-YUMQZZPRSA-N	-1	0	318.376	-0.007	50	0		DBAARM
CC[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)C(=O)[O-]	ZINC000262609377	522531324	/nfs/dbraw/zinc/53/13/24/522531324.db2.gz	AVVLKPJKLYHCGS-QMMMGPOBSA-N	-1	0	304.324	-0.078	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCO1	ZINC000262935126	526332113	/nfs/dbraw/zinc/33/21/13/526332113.db2.gz	GVZICYCJRGECQV-CMPLNLGQSA-N	-1	0	322.317	-0.060	50	0		DBAARM
CCN(CC)S(=O)(=O)CC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000299745574	528202202	/nfs/dbraw/zinc/20/22/02/528202202.db2.gz	RDJPSSQSRZIKBI-LBPRGKRZSA-N	-1	0	306.384	-0.019	50	0		DBAARM
CCCCn1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1=O	ZINC000299740985	529087359	/nfs/dbraw/zinc/08/73/59/529087359.db2.gz	CPHWSTQPZWMOLS-NSHDSACASA-N	-1	0	309.322	-0.031	50	0		DBAARM
O=C([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000247353623	670720884	/nfs/dbraw/zinc/72/08/84/670720884.db2.gz	WSXIBFCYZCEIFR-UKKRHICBSA-N	-1	0	314.250	-0.856	50	0		DBAARM
COC(=O)c1c(NC(=O)c2nn(C)cc2C(=O)[O-])cnn1C	ZINC000020616443	803751577	/nfs/dbraw/zinc/75/15/77/803751577.db2.gz	AZEXQSGTSFVDGD-UHFFFAOYSA-N	-1	0	307.266	-0.109	50	0		DBAARM
N=c1nn[n-]n1CC(=O)N[C@@H](c1ccccn1)C(F)(F)F	ZINC000827864055	805355112	/nfs/dbraw/zinc/35/51/12/805355112.db2.gz	LWAYYKFDVWJWFP-QMMMGPOBSA-N	-1	0	301.232	-0.100	50	0		DBAARM
O=C(CCc1nc2ccccc2[nH]c1=O)NCc1n[nH]c(=O)[n-]1	ZINC000828032400	805362219	/nfs/dbraw/zinc/36/22/19/805362219.db2.gz	SJCFXENMSQCAMN-UHFFFAOYSA-N	-1	0	314.305	-0.004	50	0		DBAARM
Cc1nc(Cn2[n-]nnc2=N)n(-c2ccc3c(c2)OCO3)n1	ZINC000952872062	809008408	/nfs/dbraw/zinc/00/84/08/809008408.db2.gz	ISBASKQRLOVKND-UHFFFAOYSA-N	-1	0	300.282	-0.248	50	0		DBAARM
Cn1ccnc1[C@H](NC(=O)Cn1[n-]nnc1=N)c1ccccc1	ZINC001506422766	1019842721	/nfs/dbraw/zinc/84/27/21/1019842721.db2.gz	DJVKARZNKJFMMH-GFCCVEGCSA-N	-1	0	312.337	-0.275	50	0		DBAARM
COc1ccc(S(=O)(=O)N2CCN[C@H](C(=O)[O-])C2)cc1	ZINC000071753693	191023680	/nfs/dbraw/zinc/02/36/80/191023680.db2.gz	ISLWLFCZTVFMRO-NSHDSACASA-N	-1	0	300.336	-0.258	50	0		DBAARM
O=C(NCCCc1nnn[n-]1)c1cn(C[C@H]2CCCO2)nn1	ZINC000072164345	191063318	/nfs/dbraw/zinc/06/33/18/191063318.db2.gz	JMJNTXJUXPBYTR-SECBINFHSA-N	-1	0	306.330	-0.667	50	0		DBAARM
CCCc1cc(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)n(C)n1	ZINC000072480230	191181347	/nfs/dbraw/zinc/18/13/47/191181347.db2.gz	ORSXQHZAVSWRAL-ZUZCIYMTSA-N	-1	0	320.349	-0.355	50	0		DBAARM
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C	ZINC000003361067	181011599	/nfs/dbraw/zinc/01/15/99/181011599.db2.gz	JPKJJNZGZDVOFS-UHFFFAOYSA-N	-1	0	300.336	-0.217	50	0		DBAARM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000003841506	181047563	/nfs/dbraw/zinc/04/75/63/181047563.db2.gz	OKWGNUOGLNFNEB-GXSJLCMTSA-N	-1	0	310.306	-0.137	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004031280	181064892	/nfs/dbraw/zinc/06/48/92/181064892.db2.gz	IEINDEWOWMUUOD-NXEZZACHSA-N	-1	0	303.274	-0.315	50	0		DBAARM
O=C([O-])[C@H]1O[C@@H](Oc2cccc3cccnc32)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000005846195	181289000	/nfs/dbraw/zinc/28/90/00/181289000.db2.gz	DPEGQJDYRIQRHI-DKBOKBLXSA-N	-1	0	321.285	-0.494	50	0	in-vitro	DBAARM
Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[nH]c1=O	ZINC000091325955	193039661	/nfs/dbraw/zinc/03/96/61/193039661.db2.gz	JAXYSSKZFDTPTB-DTWKUNHWSA-N	-1	0	307.306	-0.744	50	0		DBAARM
CN(C)C(=O)N1C[C@@H]2CN(Cc3ncc[nH]3)C[C@]2(C(=O)[O-])C1	ZINC000091562923	193073537	/nfs/dbraw/zinc/07/35/37/193073537.db2.gz	GHGNFLYNEKIGGK-HZMBPMFUSA-N	-1	0	307.354	-0.090	50	0		DBAARM
O=C([O-])CCOCCOCCOCCN1C(=O)C=CC1=O	ZINC000096300342	193612077	/nfs/dbraw/zinc/61/20/77/193612077.db2.gz	YSFOTVPQFVYTQX-UHFFFAOYSA-N	-1	0	301.295	-0.564	50	0		DBAARM
CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000002503715	374254641	/nfs/dbraw/zinc/25/46/41/374254641.db2.gz	FAHUCQPCECQZOD-JTQLQIEISA-N	-1	0	321.376	-0.147	50	0		DBAARM
CCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CCCC(=O)[O-]	ZINC000007262454	374286564	/nfs/dbraw/zinc/28/65/64/374286564.db2.gz	LEJQKBWHZBPLPW-JTQLQIEISA-N	-1	0	314.338	-0.088	50	0		DBAARM
Cn1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C(N)=O	ZINC000008390517	374295699	/nfs/dbraw/zinc/29/56/99/374295699.db2.gz	AFNMBSQNYNJQHT-UHFFFAOYSA-N	-1	0	315.351	-0.391	50	0		DBAARM
COCCOC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O	ZINC000071921352	374295995	/nfs/dbraw/zinc/29/59/95/374295995.db2.gz	ACIDHNQUOUCICT-WCBMZHEXSA-N	-1	0	323.392	-0.035	50	0		DBAARM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1	ZINC000021812927	182292749	/nfs/dbraw/zinc/29/27/49/182292749.db2.gz	PQJJHNLUCVBEPZ-LBPRGKRZSA-N	-1	0	314.363	-0.151	50	0		DBAARM
CCOC(=O)CC[C@](NC(C)=O)(C(=O)OCC)c1nnn[n-]1	ZINC000025756993	374408858	/nfs/dbraw/zinc/40/88/58/374408858.db2.gz	ASPASIYYFPNGFX-GFCCVEGCSA-N	-1	0	313.314	-0.563	50	0		DBAARM
CC(=O)Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000036182557	374474427	/nfs/dbraw/zinc/47/44/27/374474427.db2.gz	YZZUECJXXOJBMK-SSDOTTSWSA-N	-1	0	306.369	-0.046	50	0		DBAARM
O=C([O-])CN1CCN(CC2CCC2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077339228	374719608	/nfs/dbraw/zinc/71/96/08/374719608.db2.gz	UAMVEWQRZZBEOD-NWDGAFQWSA-N	-1	0	302.396	-0.346	50	0		DBAARM
O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCOC[C@H](O)C1	ZINC000077421953	374722331	/nfs/dbraw/zinc/72/23/31/374722331.db2.gz	MMKLURONUYROCW-GFCCVEGCSA-N	-1	0	303.318	-0.001	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100810555	374885895	/nfs/dbraw/zinc/88/58/95/374885895.db2.gz	KBJMFMOBQVOSQL-UWVGGRQHSA-N	-1	0	303.274	-0.315	50	0		DBAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000100544201	374887099	/nfs/dbraw/zinc/88/70/99/374887099.db2.gz	PPODHPANTJLWHP-UWVGGRQHSA-N	-1	0	303.274	-0.315	50	0		DBAARM
Cn1nccc1C(=O)N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C	ZINC000095385578	374837577	/nfs/dbraw/zinc/83/75/77/374837577.db2.gz	MATIMMZQFSPBJC-SNVBAGLBSA-N	-1	0	320.349	-0.042	50	0		DBAARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCO)CCO	ZINC000000244164	374960557	/nfs/dbraw/zinc/96/05/57/374960557.db2.gz	QLVPFRRSHLZNCA-UHFFFAOYSA-N	-1	0	303.336	-0.331	50	0		DBAARM
O=C([O-])c1cc([N+](=O)[O-])c(NC(CO)CO)c([N+](=O)[O-])c1	ZINC000033656315	375031515	/nfs/dbraw/zinc/03/15/15/375031515.db2.gz	WWXSKMBLVDDJKH-UHFFFAOYSA-N	-1	0	301.211	-0.034	50	0		DBAARM
Cn1c2[nH]c(N3CCC[C@H](C(=O)[O-])C3)nc2c(=O)n(C)c1=O	ZINC000004818582	375439496	/nfs/dbraw/zinc/43/94/96/375439496.db2.gz	ILAVTQBRSKOFHV-ZETCQYMHSA-N	-1	0	307.310	-0.739	50	0		DBAARM
O=C([O-])[C@H]1C[C@H](O)CN1C(=O)Cc1n[nH]c(=O)c2ccccc12	ZINC000025107320	377178820	/nfs/dbraw/zinc/17/88/20/377178820.db2.gz	GNIQROQYKATZJE-QPUJVOFHSA-N	-1	0	317.301	-0.488	50	0		DBAARM
O=C([O-])[C@@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@H]1O	ZINC000253530810	377200091	/nfs/dbraw/zinc/20/00/91/377200091.db2.gz	KUYNOZVWCFXSNE-YGEZULPYSA-N	-1	0	309.274	-0.561	50	0		DBAARM
COc1cccc2c1ccn2CC(=O)NCC(=O)NCC(=O)[O-]	ZINC000040309113	183053660	/nfs/dbraw/zinc/05/36/60/183053660.db2.gz	IKXDWJVXZYZJDL-UHFFFAOYSA-N	-1	0	319.317	-0.033	50	0	biogenic	DBAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCNCC1	ZINC000032185225	378301440	/nfs/dbraw/zinc/30/14/40/378301440.db2.gz	JMDHAAGJFOLPBL-UHFFFAOYSA-N	-1	0	300.336	-0.013	50	0		DBAARM
Cn1c([O-])c(C2=NN[C@H](c3cccnc3)C2)c(=O)n(C)c1=O	ZINC000101761763	378592833	/nfs/dbraw/zinc/59/28/33/378592833.db2.gz	CGQIENIVYPOLLQ-VIFPVBQESA-N	-1	0	301.306	-0.377	50	0		DBAARM
CCn1c(=O)oc2cc(S(=O)(=O)NCC(=O)[O-])ccc21	ZINC000262487032	380191280	/nfs/dbraw/zinc/19/12/80/380191280.db2.gz	WRKOVGAUFIRARZ-UHFFFAOYSA-N	-1	0	300.292	-0.023	50	0		DBAARM
CS(=O)(=O)[N-]C(=O)CCNC(=O)COc1ccccc1	ZINC000170614384	380813331	/nfs/dbraw/zinc/81/33/31/380813331.db2.gz	SGZNYWMWAZUFOD-UHFFFAOYSA-N	-1	0	300.336	-0.353	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1	ZINC000227558160	381061241	/nfs/dbraw/zinc/06/12/41/381061241.db2.gz	SZBVVPSPTWBOBB-UWVGGRQHSA-N	-1	0	320.367	-0.888	50	0		DBAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCNC(=O)C1	ZINC000013069207	381141300	/nfs/dbraw/zinc/14/13/00/381141300.db2.gz	RXWRRGRVYBHALT-UHFFFAOYSA-N	-1	0	314.319	-0.486	50	0		DBAARM
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)C1	ZINC000037436181	381370414	/nfs/dbraw/zinc/37/04/14/381370414.db2.gz	XPTTUBRVNNQPBO-QWRGUYRKSA-N	-1	0	318.395	-0.019	50	0		DBAARM
CNC(=O)c1nn(C)cc1[N-]S(=O)(=O)c1cnn(C)c1C	ZINC000002804442	382634223	/nfs/dbraw/zinc/63/42/23/382634223.db2.gz	FZXWRCDWBJYECA-UHFFFAOYSA-N	-1	0	312.355	-0.378	50	0		DBAARM
C[C@@H](O)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-]	ZINC000009575936	382694199	/nfs/dbraw/zinc/69/41/99/382694199.db2.gz	OPKGPTCVHCATKD-JMCQJSRRSA-N	-1	0	305.290	-0.584	50	0		DBAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O	ZINC000000286243	304251994	/nfs/dbraw/zinc/25/19/94/304251994.db2.gz	VZFDZQXKXZXSRU-UHFFFAOYSA-N	-1	0	301.214	-0.438	50	0		DBAARM
COC(=O)c1cn(CC(=O)NCC(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524735240	257213587	/nfs/dbraw/zinc/21/35/87/257213587.db2.gz	KLARTWJXZMAAPN-UHFFFAOYSA-N	-1	0	308.250	-0.924	50	0		DBAARM
COC(=O)c1cn([C@@H](CC(N)=O)C(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524731345	257214026	/nfs/dbraw/zinc/21/40/26/257214026.db2.gz	UDVYODXMTVVRCE-ZETCQYMHSA-N	-1	0	308.250	-0.624	50	0	biogenic	DBAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(CCn3cncn3)CC2)C1	ZINC000426701422	257244618	/nfs/dbraw/zinc/24/46/18/257244618.db2.gz	NALIYFNLGRGXEG-QWHCGFSZSA-N	-1	0	321.381	-0.077	50	0		DBAARM
O=C(Cc1n[nH]c(=O)[n-]1)N1CCCN(c2ncccn2)CC1	ZINC000426479154	257249242	/nfs/dbraw/zinc/24/92/42/257249242.db2.gz	WOANBMSIUTWLRY-UHFFFAOYSA-N	-1	0	303.326	-0.418	50	0		DBAARM
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)[O-]	ZINC000269086133	392412066	/nfs/dbraw/zinc/41/20/66/392412066.db2.gz	MVUQYVHPZXPENE-QMTHXVAHSA-N	-1	0	311.338	-0.068	50	0		DBAARM
COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000101163739	392524317	/nfs/dbraw/zinc/52/43/17/392524317.db2.gz	NBIJWBIYEALZSO-JQWIXIFHSA-N	-1	0	315.285	-0.064	50	0		DBAARM
CC(C)=CC(=O)N1C[C@H]2CN(S(C)(=O)=O)C[C@@]2(C(=O)[O-])C1	ZINC000091845829	392486596	/nfs/dbraw/zinc/48/65/96/392486596.db2.gz	YWHWTGPPROWOSR-GWCFXTLKSA-N	-1	0	316.379	-0.243	50	0		DBAARM
O=C([O-])COCC(=O)NCCNc1nnnn1-c1ccccc1	ZINC000044980437	411774342	/nfs/dbraw/zinc/77/43/42/411774342.db2.gz	CDUPINOAXYCPEI-UHFFFAOYSA-N	-1	0	320.309	-0.708	50	0		DBAARM
Cn1c2ccccc2n(CC(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c1=O	ZINC000659169781	412081895	/nfs/dbraw/zinc/08/18/95/412081895.db2.gz	KFSZVLNBYILLIE-RNCFNFMXSA-N	-1	0	319.317	-0.302	50	0		DBAARM
Cc1cc2nc(CN3CCN4C(=O)OC[C@H]4C3)cc(=O)n2[n-]1	ZINC000670440227	544703500	/nfs/dbraw/zinc/70/35/00/544703500.db2.gz	CHTVISZZRBLCGQ-LLVKDONJSA-N	-1	0	303.322	-0.033	50	0		DBAARM
O=C([O-])[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCO1	ZINC000262918424	544705628	/nfs/dbraw/zinc/70/56/28/544705628.db2.gz	DRTQVYDZIOGHDU-GFCCVEGCSA-N	-1	0	304.302	-0.046	50	0		DBAARM
C[C@]12CCC(=O)N1[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)CS2	ZINC000221695250	300864248	/nfs/dbraw/zinc/86/42/48/300864248.db2.gz	IOSXTHYGGWUPJW-RWEMILLDSA-N	-1	0	314.363	-0.248	50	0		DBAARM
CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1	ZINC000060820793	525175372	/nfs/dbraw/zinc/17/53/72/525175372.db2.gz	NRMXOBHLPFYTLT-UHFFFAOYSA-N	-1	0	313.335	-0.503	50	0		DBAARM
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000299743021	529258598	/nfs/dbraw/zinc/25/85/98/529258598.db2.gz	LPIGGZVOKFGJOX-GUBZILKMSA-N	-1	0	306.384	-0.117	50	0		DBAARM
CS(=O)(=O)CC[C@H](NC(=O)Nc1cccc[n+]1[O-])C(=O)[O-]	ZINC000005353438	803740318	/nfs/dbraw/zinc/74/03/18/803740318.db2.gz	JZEIOUVKCUUBPH-QMMMGPOBSA-N	-1	0	317.323	-0.671	50	0		DBAARM
CO[C@@H](C)CS(=O)(=O)[N-]c1nonc1NC(=O)C(C)(C)C	ZINC000585129258	803877550	/nfs/dbraw/zinc/87/75/50/803877550.db2.gz	CXJLNHKTFUZTTE-ZETCQYMHSA-N	-1	0	320.371	-0.325	50	0		DBAARM
CO[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1O	ZINC000824504884	805259837	/nfs/dbraw/zinc/25/98/37/805259837.db2.gz	SFCLNJBRUJYYCI-QWRGUYRKSA-N	-1	0	301.320	-0.235	50	0		DBAARM
Cc1nc(C)c(CC(=O)NCCc2nc(N)cc(=O)[nH]2)c(=O)[nH]1	ZINC000827847787	805354043	/nfs/dbraw/zinc/35/40/43/805354043.db2.gz	QVJKQBZHTYLVRB-UHFFFAOYSA-N	-1	0	318.337	-0.222	50	0		DBAARM
Cc1cn([C@H]2C[C@H](C[P@@](=O)([O-])O)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC001501057579	1018560775	/nfs/dbraw/zinc/56/07/75/1018560775.db2.gz	HQWMRNSFBVDKQO-IWSPIJDZSA-N	-1	0	320.238	-0.669	50	0		DBAARM
CN(C)C(=O)CN1CCCN(C(=O)NCCC(=O)[O-])CC1	ZINC001506410274	1019841089	/nfs/dbraw/zinc/84/10/89/1019841089.db2.gz	JVHBUDKQSRMJKB-UHFFFAOYSA-N	-1	0	300.359	-0.733	50	0		DBAARM