smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC[C@H]1NC(=O)NC1=O ZINC000585086531 836089512 /nfs/dbraw/zinc/08/95/12/836089512.db2.gz DBTWPQCXIHLOSO-IDVQTMNDSA-N -1 0 369.374 0.273 50 0 FCAARM CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441111 836091769 /nfs/dbraw/zinc/09/17/69/836091769.db2.gz GUYFMUHBDMIBDT-DEBLGDTFSA-N -1 0 352.412 0.938 50 0 FCAARM O=C([O-])[C@H](NC(=O)N1CCN(CCn2cncn2)CC1)c1ccc(O)cc1 ZINC000426441700 939142352 /nfs/dbraw/zinc/14/23/52/939142352.db2.gz DMMJWEOCUOYOGS-OAHLLOKOSA-N -1 0 374.401 0.137 50 0 FCAARM Cc1c(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)nn1C ZINC000002758713 204054234 /nfs/dbraw/zinc/05/42/34/204054234.db2.gz JPYGNUTTXKHNGF-ZANVPECISA-N -1 0 370.818 0.754 50 0 FCAARM CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)n1 ZINC000002758598 204054990 /nfs/dbraw/zinc/05/49/90/204054990.db2.gz TUZZVMZSOPUQRP-TVQRCGJNSA-N -1 0 370.818 0.929 50 0 FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] ZINC000004042226 204118021 /nfs/dbraw/zinc/11/80/21/204118021.db2.gz LSQZJLSUYDQPKJ-ICUOPCATSA-N -1 0 365.411 0.024 50 0 endogenous,in-man FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Br)c(=O)c1-2 ZINC000004473982 204139722 /nfs/dbraw/zinc/13/97/22/204139722.db2.gz OWLWVHQPNQOEEB-NXEZZACHSA-N -1 0 366.171 0.829 50 0 FCAARM O=C([O-])CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006645523 204258719 /nfs/dbraw/zinc/25/87/19/204258719.db2.gz AAKPWRIZWQJRRP-LLVKDONJSA-N -1 0 358.391 0.817 50 0 FCAARM CC1(C)Cc2c(sc(NC(=O)C(=O)NCCCO)c2C(=O)[O-])CO1 ZINC000006719504 204261913 /nfs/dbraw/zinc/26/19/13/204261913.db2.gz FIMXLSJQHNZZHB-UHFFFAOYSA-N -1 0 356.400 0.735 50 0 FCAARM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cnc(C)cn3)C2=O)c1 ZINC000008735085 204342743 /nfs/dbraw/zinc/34/27/43/204342743.db2.gz BTMAYMSSFDBLFL-KRWDZBQOSA-N -1 0 355.354 0.906 50 0 FCAARM COCCn1c2nnc(-c3ccc(OC)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000009827685 204383428 /nfs/dbraw/zinc/38/34/28/204383428.db2.gz UOUPAMJOKSRTSN-UHFFFAOYSA-N -1 0 370.369 0.805 50 0 FCAARM O=C([O-])c1n[nH]c2[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc3c21 ZINC000012375193 204457473 /nfs/dbraw/zinc/45/74/73/204457473.db2.gz NUDSGJJXPPNKJO-UHFFFAOYSA-N -1 0 350.356 0.763 50 0 FCAARM Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)[O-] ZINC000015019904 204599138 /nfs/dbraw/zinc/59/91/38/204599138.db2.gz IIJCFPXZSWNVNA-UHFFFAOYSA-N -1 0 356.429 0.958 50 0 FCAARM CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@H](O)[C@@H]2O)cc1F ZINC000019615653 204696599 /nfs/dbraw/zinc/69/65/99/204696599.db2.gz GAGWJHPBXLXJQN-HFHAKLMTSA-N -1 0 359.354 0.760 50 0 in-vitro FCAARM O=C(c1cnn(C(=S)NCCN2CCOCC2)c1)c1ccccc1[O-] ZINC000023409355 204805099 /nfs/dbraw/zinc/80/50/99/204805099.db2.gz OFHKXOGKDZQVJA-UHFFFAOYSA-N -1 0 360.439 0.875 50 0 FCAARM CO[C@@](O)([N-]c1cccc[nH+]1)C1=C([O-])c2ccccc2S(=O)(=O)N1C ZINC000044123097 205107561 /nfs/dbraw/zinc/10/75/61/205107561.db2.gz QROVADNFQGPVAJ-HZPDHXFCSA-N -1 0 363.395 0.672 50 0 FCAARM COc1ccc(CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299752847 205134011 /nfs/dbraw/zinc/13/40/11/205134011.db2.gz VSZVMEUDQVZFPO-NWANDNLSSA-N -1 0 367.423 0.932 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)CCO1 ZINC000299750364 205131264 /nfs/dbraw/zinc/13/12/64/205131264.db2.gz NGFJECNRVHVGEE-CQSZACIVSA-N -1 0 350.346 0.807 50 0 FCAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@H](c1ccccc1)n1cnnn1 ZINC000055386070 205217688 /nfs/dbraw/zinc/21/76/88/205217688.db2.gz BNENFTZFWPRMAS-OAHLLOKOSA-N -1 0 355.358 0.799 50 0 FCAARM O=c1[n-]c(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)n[nH]1 ZINC000067772675 205390780 /nfs/dbraw/zinc/39/07/80/205390780.db2.gz FBFGBUUQCNWTTG-SFHVURJKSA-N -1 0 359.430 0.174 50 0 FCAARM O=C([O-])c1cn(C[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)nn1 ZINC000067842108 205395520 /nfs/dbraw/zinc/39/55/20/205395520.db2.gz VDDYXSVPVFZUEH-ZDUSSCGKSA-N -1 0 351.407 0.632 50 0 FCAARM O=C([O-])Cc1cc(C2CCN(C(=O)[C@H]3CCCCn4nnnc43)CC2)[nH]n1 ZINC000067879025 205399653 /nfs/dbraw/zinc/39/96/53/205399653.db2.gz DSOXOLQAZICWLV-ZDUSSCGKSA-N -1 0 373.417 0.697 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000095970618 205800351 /nfs/dbraw/zinc/80/03/51/205800351.db2.gz JVRJACDJFFPYDD-OCCSQVGLSA-N -1 0 354.428 0.985 50 0 FCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000101017036 205950786 /nfs/dbraw/zinc/95/07/86/205950786.db2.gz CKMMLRGATFLGEK-WCQYABFASA-N -1 0 360.326 0.859 50 0 FCAARM COC(=O)c1nnc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)[n-]1 ZINC000000945066 206142569 /nfs/dbraw/zinc/14/25/69/206142569.db2.gz UMZFIPHAVPTXOY-NSHDSACASA-N -1 0 371.353 0.851 50 0 FCAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)[O-] ZINC000004027431 206164258 /nfs/dbraw/zinc/16/42/58/206164258.db2.gz INHBBLAAKUFQTQ-HOSYDEDBSA-N -1 0 359.423 0.761 50 0 biogenic FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CN1CCOc2ccccc2C1 ZINC000219335425 206384626 /nfs/dbraw/zinc/38/46/26/206384626.db2.gz YTVZDEGMZKFPNU-GDBMZVCRSA-N -1 0 364.398 0.256 50 0 FCAARM Cc1c(-c2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)[O-])no2)cnn1C ZINC000218368370 206370180 /nfs/dbraw/zinc/37/01/80/206370180.db2.gz ZEZQPOUFPLMOPH-BXUZGUMPSA-N -1 0 364.358 0.372 50 0 FCAARM Cn1c2ccc(CCC(=O)N3CCC(C(=O)[O-])CC3)cc2[nH]c(=O)c1=O ZINC000218416555 206370676 /nfs/dbraw/zinc/37/06/76/206370676.db2.gz OUBZEFDJDUWYCW-UHFFFAOYSA-N -1 0 359.382 0.483 50 0 FCAARM Cc1cc(=O)c2cccc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)[O-])c2[nH]1 ZINC000219989494 206395196 /nfs/dbraw/zinc/39/51/96/206395196.db2.gz XXUWTRCPPAXIQO-UKRRQHHQSA-N -1 0 360.366 0.825 50 0 FCAARM CNc1cc([C@H]2C[C@@H](NC(=O)Cc3nn4c([n-]3)nc(C)cc4=O)C2)ncn1 ZINC000244678435 206552852 /nfs/dbraw/zinc/55/28/52/206552852.db2.gz ICMUINDKPPBWMD-PHIMTYICSA-N -1 0 368.401 0.575 50 0 FCAARM O=C([O-])COc1ccc(CN2CCN(c3ccnc4nncn43)CC2)cc1 ZINC000215437328 132270258 /nfs/dbraw/zinc/27/02/58/132270258.db2.gz QAQGLNCTPHMWDP-UHFFFAOYSA-N -1 0 368.397 0.910 50 0 FCAARM CSCC[C@@H](NC(=O)c1cnc(N2CCN(C)CC2)nc1C)C(=O)[O-] ZINC000299784556 132299987 /nfs/dbraw/zinc/29/99/87/132299987.db2.gz OGBXHQYUFUJMJA-CYBMUJFWSA-N -1 0 367.475 0.473 50 0 FCAARM Cc1nc(N2CCCCC2)ncc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000299792712 132300366 /nfs/dbraw/zinc/30/03/66/132300366.db2.gz FSGITOJOZCOENB-ZDUSSCGKSA-N -1 0 361.402 0.191 50 0 FCAARM O=C([O-])[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000071388738 136139034 /nfs/dbraw/zinc/13/90/34/136139034.db2.gz VRPVCQXRTXYMIJ-GFCCVEGCSA-N -1 0 356.338 0.621 50 0 FCAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCN1C(=O)COc2ccccc21 ZINC000072410168 136145506 /nfs/dbraw/zinc/14/55/06/136145506.db2.gz KZFHAGNUGIPXPC-QGZVFWFLSA-N -1 0 370.365 0.736 50 0 FCAARM O=C([O-])C1(n2ccnc2)CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000072434411 136147136 /nfs/dbraw/zinc/14/71/36/136147136.db2.gz PPOKUQBBSLBRNA-UHFFFAOYSA-N -1 0 358.402 0.590 50 0 FCAARM O=C([O-])CCN1CCN(Cc2cc(F)cc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091694552 221785272 /nfs/dbraw/zinc/78/52/72/221785272.db2.gz IBQKYSQPZOOQPO-CABCVRRESA-N -1 0 374.409 0.723 50 0 FCAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000013259326 229147969 /nfs/dbraw/zinc/14/79/69/229147969.db2.gz VUHUGFRPYJLQIX-YPMHNXCESA-N -1 0 360.366 0.886 50 0 FCAARM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299762424 488871801 /nfs/dbraw/zinc/87/18/01/488871801.db2.gz WDHFHHBCGTXUKW-WCQYABFASA-N -1 0 350.400 0.694 50 0 FCAARM CN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)CC1 ZINC000001003739 487469995 /nfs/dbraw/zinc/46/99/95/487469995.db2.gz QZBAALRRMMUOIK-VOTSOKGWSA-N -1 0 353.400 0.202 50 0 FCAARM C=CCN1C(=O)[C@@H](CC(=O)[O-])SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000004689267 487480831 /nfs/dbraw/zinc/48/08/31/487480831.db2.gz OMVWFYHGOQIEOB-LLVKDONJSA-N -1 0 369.424 0.926 50 0 FCAARM Cn1cc([C@@H]2CN(C(=O)C3(Cn4ccnc4)CC3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299802942 488874997 /nfs/dbraw/zinc/87/49/97/488874997.db2.gz YWMSVLXSDFPDQH-QWHCGFSZSA-N -1 0 358.402 0.509 50 0 FCAARM Cn1nc2c(c1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C1)CCCC2 ZINC000299801754 488875143 /nfs/dbraw/zinc/87/51/43/488875143.db2.gz XLBJWSHCSDYIEQ-CMPLNLGQSA-N -1 0 358.402 0.748 50 0 FCAARM Cn1nnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013411338 487562867 /nfs/dbraw/zinc/56/28/67/487562867.db2.gz BNCWYKNAOSSWOB-LBPRGKRZSA-N -1 0 360.399 0.596 50 0 FCAARM CCn1cc([N-]S(=O)(=O)c2cccc3nsnc32)c(C(N)=O)n1 ZINC000017073022 487595551 /nfs/dbraw/zinc/59/55/51/487595551.db2.gz GYUIDXLERNLTTE-UHFFFAOYSA-N -1 0 352.401 0.807 50 0 FCAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000030819548 487749528 /nfs/dbraw/zinc/74/95/28/487749528.db2.gz CEFUVDFLGGCBEC-UHFFFAOYSA-N -1 0 366.395 0.825 50 0 FCAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000033330713 487794397 /nfs/dbraw/zinc/79/43/97/487794397.db2.gz VLNXZUNHDIPYAA-SECBINFHSA-N -1 0 366.399 0.392 50 0 FCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CSCC2 ZINC000071280162 488376881 /nfs/dbraw/zinc/37/68/81/488376881.db2.gz ZEUIMDPEWCJBIP-HNNXBMFYSA-N -1 0 373.434 0.845 50 0 FCAARM O=C([O-])[C@@]12CN(CC3CC3)C(=O)[C@@H]1CN(C(=O)CCc1ccccn1)C2 ZINC000072409528 488379931 /nfs/dbraw/zinc/37/99/31/488379931.db2.gz ORSHVNDSBRCTRA-KXBFYZLASA-N -1 0 357.410 0.796 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1ccc3[nH]c(CO)nc3c1)C2 ZINC000072418578 488380126 /nfs/dbraw/zinc/38/01/26/488380126.db2.gz ZMCKMVGTGPNLTN-UHFFFAOYSA-N -1 0 369.381 0.925 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCCN(CC(=O)NC[C@@H]1CCCO1)C2 ZINC000072411333 488380264 /nfs/dbraw/zinc/38/02/64/488380264.db2.gz ARMOZTURNFQVFO-HNNXBMFYSA-N -1 0 350.419 0.401 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cnn4cccnc34)CC2)c1 ZINC000072432104 488380718 /nfs/dbraw/zinc/38/07/18/488380718.db2.gz POFGZXKQKGHRLR-UHFFFAOYSA-N -1 0 354.370 0.950 50 0 FCAARM COCCOCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000079016474 488426267 /nfs/dbraw/zinc/42/62/67/488426267.db2.gz NOPQIPMESCUIHH-UHFFFAOYSA-N -1 0 368.423 0.207 50 0 FCAARM CS(=O)(=O)c1c(NC(=O)c2cccs2)[n-]nc1N1CCOCC1 ZINC000083987629 488449305 /nfs/dbraw/zinc/44/93/05/488449305.db2.gz IDKZRTHQHOVGCC-UHFFFAOYSA-N -1 0 356.429 0.964 50 0 FCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC000091254628 488462176 /nfs/dbraw/zinc/46/21/76/488462176.db2.gz PDLMBIYNAAOOQS-KRWDZBQOSA-N -1 0 351.403 0.659 50 0 FCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000091603010 488465770 /nfs/dbraw/zinc/46/57/70/488465770.db2.gz VAPBQMXZFBMAFK-AWEZNQCLSA-N -1 0 368.411 0.397 50 0 FCAARM COC[C@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1ccnn1C ZINC000091644229 488467188 /nfs/dbraw/zinc/46/71/88/488467188.db2.gz HUYZRVVSHJXQMK-ZDUSSCGKSA-N -1 0 357.370 0.594 50 0 FCAARM COc1cccc([C@@H]2CN(C(=O)CCS(C)(=O)=O)C[C@H]2C(=O)[O-])c1 ZINC000091745469 488469129 /nfs/dbraw/zinc/46/91/29/488469129.db2.gz PLGLSHISLZDFIN-UONOGXRCSA-N -1 0 355.412 0.757 50 0 FCAARM Cn1c(=O)cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n(C)c1=O ZINC000095352808 488480407 /nfs/dbraw/zinc/48/04/07/488480407.db2.gz PIMDLUFPFSPBRD-CQSZACIVSA-N -1 0 371.393 0.802 50 0 FCAARM CCCn1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cn1 ZINC000095364132 488481888 /nfs/dbraw/zinc/48/18/88/488481888.db2.gz OKCPZDHWOSZDGX-GFCCVEGCSA-N -1 0 370.431 0.037 50 0 FCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000095370636 488482117 /nfs/dbraw/zinc/48/21/17/488482117.db2.gz MFUIRZBCIMNJIW-ZDUSSCGKSA-N -1 0 374.393 0.996 50 0 FCAARM COc1cccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c1OC ZINC000095374263 488482300 /nfs/dbraw/zinc/48/23/00/488482300.db2.gz QUYNJXJAGRONGX-LBPRGKRZSA-N -1 0 362.382 0.899 50 0 FCAARM Cc1cc(C)n2nc(CC(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])nc2n1 ZINC000096133324 488489667 /nfs/dbraw/zinc/48/96/67/488489667.db2.gz NOHPQVPJSRMHEU-LBPRGKRZSA-N -1 0 355.358 0.045 50 0 FCAARM Cc1cccc(CC(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)c1 ZINC000096153034 488490264 /nfs/dbraw/zinc/49/02/64/488490264.db2.gz KAPCCBFTKKPORE-RHSMWYFYSA-N -1 0 366.439 0.342 50 0 FCAARM CN1CCN(Cc2cc(-c3ncccn3)ccc2OCC(=O)[O-])CC1=O ZINC000097744754 488493098 /nfs/dbraw/zinc/49/30/98/488493098.db2.gz XEEMDCATBPNHPE-UHFFFAOYSA-N -1 0 356.382 0.881 50 0 FCAARM O=C(c1cc(=O)[nH]c2ccccc21)N1CCc2c(=O)n(CCO)[n-]c2C1 ZINC000097642453 488493460 /nfs/dbraw/zinc/49/34/60/488493460.db2.gz OWESOHDDGTWVJP-UHFFFAOYSA-N -1 0 354.366 0.209 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000097958256 488493656 /nfs/dbraw/zinc/49/36/56/488493656.db2.gz QHTIJLSTFOWNOL-NXEZZACHSA-N -1 0 366.171 0.829 50 0 FCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000100166116 488494205 /nfs/dbraw/zinc/49/42/05/488494205.db2.gz GWJHUOVEJRAEKM-PSASIEDQSA-N -1 0 353.128 0.866 50 0 FCAARM COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100937441 488494498 /nfs/dbraw/zinc/49/44/98/488494498.db2.gz QJLIZBFWQTUGDK-ZFWWWQNUSA-N -1 0 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CCN1C(=O)[C@H]2CN(C(=O)c3ccc(OCC(=O)[O-])cc3)CCN2C1=O ZINC000659759937 493287546 /nfs/dbraw/zinc/28/75/46/493287546.db2.gz LKLIHPRHSUKSTF-CYBMUJFWSA-N -1 0 361.354 0.259 50 0 FCAARM COc1cc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1OCC(N)=O ZINC000269021196 521929802 /nfs/dbraw/zinc/92/98/02/521929802.db2.gz IGMJGXOKUHFNKM-MJICGBHWSA-N -1 0 362.382 0.896 50 0 FCAARM CNS(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OC ZINC000269026517 522260776 /nfs/dbraw/zinc/26/07/76/522260776.db2.gz KIJXCFRWDQOMMK-HNNXBMFYSA-N -1 0 356.400 0.540 50 0 FCAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000091350552 523469185 /nfs/dbraw/zinc/46/91/85/523469185.db2.gz HRCUEFTYBPGTQV-KRWDZBQOSA-N -1 0 351.403 0.823 50 0 FCAARM COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000262963132 524040690 /nfs/dbraw/zinc/04/06/90/524040690.db2.gz KLADPOAQVIUTMS-ZFWWWQNUSA-N -1 0 362.382 0.356 50 0 FCAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)[O-])c1 ZINC000299749894 524465096 /nfs/dbraw/zinc/46/50/96/524465096.db2.gz LZDXTBSZQLNADG-GJZGRUSLSA-N -1 0 368.455 0.779 50 0 FCAARM O=C([O-])[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000269216560 526326251 /nfs/dbraw/zinc/32/62/51/526326251.db2.gz YLQKMKGPZDVALF-KPZWWZAWSA-N -1 0 357.366 0.313 50 0 FCAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CC1 ZINC000268953538 527604766 /nfs/dbraw/zinc/60/47/66/527604766.db2.gz SDFSNZCFMXEWLO-NSHDSACASA-N -1 0 360.366 0.886 50 0 FCAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)C(=O)[O-] ZINC000004090587 535091087 /nfs/dbraw/zinc/09/10/87/535091087.db2.gz QEGKDAFWQOHJND-YGRLFVJLSA-N -1 0 362.386 0.769 50 0 biogenic FCAARM CCc1ccc(C(=O)[N-]N2S(=O)(=O)c3ccccc3S2(=O)=O)nc1 ZINC000005911783 546887325 /nfs/dbraw/zinc/88/73/25/546887325.db2.gz IEHJPCFZUNSUTE-UHFFFAOYSA-N -1 0 367.408 0.682 50 0 FCAARM CC(=O)c1cn(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c2ccccc12 ZINC000206212393 1187850643 /nfs/dbraw/zinc/85/06/43/1187850643.db2.gz 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204061991 /nfs/dbraw/zinc/06/19/91/204061991.db2.gz NCYLVOHWXMGECJ-UHFFFAOYSA-N -1 0 360.461 0.339 50 0 FCAARM C[C@H](C[C@H](C)C(=O)[O-])C(=O)N1CCOCCOCCOCCOCC1 ZINC000003900490 204114334 /nfs/dbraw/zinc/11/43/34/204114334.db2.gz QMAGWTBFHHMVQB-CABCVRRESA-N -1 0 361.435 0.642 50 0 FCAARM CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000006490080 204249711 /nfs/dbraw/zinc/24/97/11/204249711.db2.gz TWGHYTJAZCJWAQ-GMEUVTARSA-N -1 0 372.834 0.802 50 0 FCAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)[O-])C2)cc1 ZINC000009134146 204355739 /nfs/dbraw/zinc/35/57/39/204355739.db2.gz MUDSCLRPQZSCBC-NSHDSACASA-N -1 0 356.400 0.297 50 0 FCAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])n(C)c(NN)nc3=O)=NN2)c1 ZINC000009190201 204356679 /nfs/dbraw/zinc/35/66/79/204356679.db2.gz MKYGFZUBCMDDCI-JTQLQIEISA-N -1 0 360.374 0.227 50 0 FCAARM O=C([O-])CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009576335 204374500 /nfs/dbraw/zinc/37/45/00/204374500.db2.gz JZLIJTLWXMSJSB-UHFFFAOYSA-N -1 0 360.819 0.942 50 0 FCAARM COc1ccc(N2C[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cc1OC ZINC000299743509 205125104 /nfs/dbraw/zinc/12/51/04/205125104.db2.gz NWJRCCQFLRPGMT-NWDGAFQWSA-N -1 0 362.382 0.990 50 0 FCAARM CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000299744925 205126309 /nfs/dbraw/zinc/12/63/09/205126309.db2.gz VODWVSDROACQTK-KZULUSFZSA-N -1 0 359.382 0.777 50 0 FCAARM COc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)[O-])CC2=O)cc1OC ZINC000299748031 205128159 /nfs/dbraw/zinc/12/81/59/205128159.db2.gz FWXAKSWIYZIKKX-NSHDSACASA-N -1 0 350.371 0.990 50 0 FCAARM COc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299752846 205134460 /nfs/dbraw/zinc/13/44/60/205134460.db2.gz VSZVMEUDQVZFPO-CFVMTHIKSA-N -1 0 367.423 0.932 50 0 FCAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)no1 ZINC000055175468 205209797 /nfs/dbraw/zinc/20/97/97/205209797.db2.gz DORWWTNMIFGWBF-UHFFFAOYSA-N -1 0 350.356 0.334 50 0 FCAARM CCn1ncc(S(=O)(=O)N2CCCn3nc(C(=O)[O-])cc3C2)c1C 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/nfs/dbraw/zinc/81/60/35/487816035.db2.gz TURRYAKHOZWVFX-UHFFFAOYSA-N -1 0 357.351 0.985 50 0 FCAARM O=c1[n-]c(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)n[nH]1 ZINC000067919625 488358154 /nfs/dbraw/zinc/35/81/54/488358154.db2.gz DQJIKJIKKQPUBH-INIZCTEOSA-N -1 0 367.356 0.020 50 0 FCAARM O=C([O-])c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@@H]1CCOC1)CC2 ZINC000067935325 488358482 /nfs/dbraw/zinc/35/84/82/488358482.db2.gz XDNNTVNTTLPWLG-GFCCVEGCSA-N -1 0 356.382 0.946 50 0 FCAARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)COCC(F)(F)F ZINC000069525766 488373080 /nfs/dbraw/zinc/37/30/80/488373080.db2.gz ZECKZWZWMZGHTA-UHFFFAOYSA-N -1 0 355.290 0.857 50 0 FCAARM CN1CCN(C(=O)c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)CC1 ZINC000071285262 488376951 /nfs/dbraw/zinc/37/69/51/488376951.db2.gz NKTAQOGWSLTSSX-UHFFFAOYSA-N -1 0 369.381 0.815 50 0 FCAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2cc(CCO)cn2)c1 ZINC000072168034 488378924 /nfs/dbraw/zinc/37/89/24/488378924.db2.gz DFESSGFALSGPTK-UHFFFAOYSA-N -1 0 369.399 0.030 50 0 FCAARM Cn1nccc1C(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)C1CC1)CC2 ZINC000072425225 488380632 /nfs/dbraw/zinc/38/06/32/488380632.db2.gz KXJGHIDZHARNQQ-AWEZNQCLSA-N -1 0 360.414 0.738 50 0 FCAARM Cc1nccn1C1(C(=O)[O-])CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000072463749 488381507 /nfs/dbraw/zinc/38/15/07/488381507.db2.gz YSXQKQDSZUUAHD-UHFFFAOYSA-N -1 0 353.404 0.190 50 0 FCAARM O=C([O-])CN1CCN(CCSc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077439978 488413690 /nfs/dbraw/zinc/41/36/90/488413690.db2.gz RFMXGCLAVKWVDY-LSDHHAIUSA-N -1 0 370.496 0.647 50 0 FCAARM COC[C@@H]1[C@H](NC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)[C@@H]2CCO[C@H]12 ZINC000220541720 488445795 /nfs/dbraw/zinc/44/57/95/488445795.db2.gz DLTOFTGYYGKZCM-XNISGKROSA-N -1 0 359.382 0.523 50 0 FCAARM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[nH]1 ZINC000225415203 488449892 /nfs/dbraw/zinc/44/98/92/488449892.db2.gz PGWFSKQXKGTBLF-JGVFFNPUSA-N -1 0 357.374 0.734 50 0 FCAARM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000225427433 488449965 /nfs/dbraw/zinc/44/99/65/488449965.db2.gz VFBZLIAMCCUBJF-UHFFFAOYSA-N -1 0 361.786 0.960 50 0 FCAARM Cc1onc(N)c1S(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2)c1 ZINC000225857003 488451393 /nfs/dbraw/zinc/45/13/93/488451393.db2.gz IIUBKCBQZJHUFE-UHFFFAOYSA-N -1 0 361.383 0.929 50 0 FCAARM Cc1ncc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c(=O)[nH]1 ZINC000091713880 488468711 /nfs/dbraw/zinc/46/87/11/488468711.db2.gz VJBSHNCMJFSNER-QWHCGFSZSA-N -1 0 371.349 0.747 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)C1CCS(=O)(=O)CC1)C2 ZINC000091893195 488471241 /nfs/dbraw/zinc/47/12/41/488471241.db2.gz NYKGNFCRMGEQSH-UHFFFAOYSA-N -1 0 369.443 0.457 50 0 FCAARM CCn1ccc(C(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cc1=O ZINC000095373190 488482195 /nfs/dbraw/zinc/48/21/95/488482195.db2.gz PJAYSXHFUOSUJD-ZDUSSCGKSA-N -1 0 361.398 0.406 50 0 FCAARM Nc1nnc(CCCNC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)s1 ZINC000095384396 488482955 /nfs/dbraw/zinc/48/29/55/488482955.db2.gz UGFWDBLMKNYDPE-UHFFFAOYSA-N -1 0 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O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000095502643 488485016 /nfs/dbraw/zinc/48/50/16/488485016.db2.gz BGIAMOOOYUYBNX-CQSZACIVSA-N -1 0 353.338 0.158 50 0 FCAARM COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2nnn[n-]2)c1 ZINC000095516310 488486507 /nfs/dbraw/zinc/48/65/07/488486507.db2.gz IIQURUZPELXWQL-UHFFFAOYSA-N -1 0 374.401 0.528 50 0 FCAARM Cc1ncc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC000095526922 488487036 /nfs/dbraw/zinc/48/70/36/488487036.db2.gz URVUPEVJTDSYSF-ORAYPTAESA-N -1 0 369.377 0.856 50 0 FCAARM Cn1cc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cn1 ZINC000096103600 488488928 /nfs/dbraw/zinc/48/89/28/488488928.db2.gz JYFQWOIVARETMP-UHFFFAOYSA-N -1 0 364.427 0.622 50 0 FCAARM CS(=O)(=O)NCCc1nc(COc2cccc(F)c2)nn1CC(=O)[O-] ZINC000097137432 488492283 /nfs/dbraw/zinc/49/22/83/488492283.db2.gz CYCDXCBGARIVPB-UHFFFAOYSA-N -1 0 372.378 0.173 50 0 FCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 ZINC000097784737 488493391 /nfs/dbraw/zinc/49/33/91/488493391.db2.gz SAANHBDCLLOHOP-VIFPVBQESA-N -1 0 366.468 0.953 50 0 FCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000101017027 488494535 /nfs/dbraw/zinc/49/45/35/488494535.db2.gz CKMMLRGATFLGEK-AAEUAGOBSA-N -1 0 360.326 0.859 50 0 FCAARM CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1cccc(O)c1 ZINC000101455685 488494944 /nfs/dbraw/zinc/49/49/44/488494944.db2.gz NMUWKZLRYJCXHV-CYBMUJFWSA-N -1 0 358.354 0.193 50 0 FCAARM COc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(C)(=O)=O)cc1 ZINC000101582702 488495560 /nfs/dbraw/zinc/49/55/60/488495560.db2.gz PKRKFFBIUHVNOE-UHFFFAOYSA-N -1 0 363.399 0.701 50 0 FCAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901902 488496548 /nfs/dbraw/zinc/49/65/48/488496548.db2.gz GADXBLNSNVIWEB-WCQYABFASA-N -1 0 369.830 0.982 50 0 FCAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1cccnc1Cl ZINC000101775456 488496646 /nfs/dbraw/zinc/49/66/46/488496646.db2.gz KFLAKVQCUJVJAK-GXSJLCMTSA-N -1 0 370.818 0.695 50 0 FCAARM Cc1cc2ncc(C(=O)N3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CC3)c(=O)n2[n-]1 ZINC000102701534 488498165 /nfs/dbraw/zinc/49/81/65/488498165.db2.gz YXFUWMKXDDDFGL-UONOGXRCSA-N -1 0 369.425 0.804 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CCO1 ZINC000263035920 488603279 /nfs/dbraw/zinc/60/32/79/488603279.db2.gz VEALVVPWFPZHQR-ZDUSSCGKSA-N -1 0 354.384 0.152 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCO1 ZINC000263050806 488603725 /nfs/dbraw/zinc/60/37/25/488603725.db2.gz WVQTUPVDQHFOHJ-RNCFNFMXSA-N -1 0 354.309 0.630 50 0 FCAARM CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000263225292 488606718 /nfs/dbraw/zinc/60/67/18/488606718.db2.gz ZVMGWOPTGJZRGY-CQSZACIVSA-N -1 0 374.459 0.451 50 0 FCAARM Cc1cc2ncc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)c(=O)n2[n-]1 ZINC000334159463 489266955 /nfs/dbraw/zinc/26/69/55/489266955.db2.gz XGJBYWAVLUEHJC-MKBNYLNASA-N -1 0 353.382 0.968 50 0 FCAARM 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491849325 /nfs/dbraw/zinc/84/93/25/491849325.db2.gz QHPRRBYWCQFIEU-VIFPVBQESA-N -1 0 369.337 0.635 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 ZINC000648439331 492435051 /nfs/dbraw/zinc/43/50/51/492435051.db2.gz QHSGMVSEJFETMT-AWEZNQCLSA-N -1 0 373.409 0.952 50 0 FCAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000643432822 492459409 /nfs/dbraw/zinc/45/94/09/492459409.db2.gz BOKKQCGCQZPHEZ-CQSZACIVSA-N -1 0 350.396 0.729 50 0 FCAARM O=C([O-])[C@H]1Cn2cnnc2CN1C(=O)Cc1ccccc1OC(F)F ZINC000643855495 492584725 /nfs/dbraw/zinc/58/47/25/492584725.db2.gz BPRYCMNFBIQQDG-SNVBAGLBSA-N -1 0 352.297 0.918 50 0 FCAARM CS(=O)(=O)NC1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000670473506 493571244 /nfs/dbraw/zinc/57/12/44/493571244.db2.gz GIXOKBRKLUUQNP-CYBMUJFWSA-N -1 0 355.416 0.536 50 0 FCAARM Cc1ccc(-n2ncc3c2ncn([C@@H]2CCN(CC(=O)[O-])C2=O)c3=O)cc1 ZINC000663219016 493577674 /nfs/dbraw/zinc/57/76/74/493577674.db2.gz GLOCHPRQYMRXCE-CQSZACIVSA-N -1 0 367.365 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-1 0 364.383 0.145 50 0 FCAARM C[C@@H]1C[C@@H](CC(=O)N2CCCn3nc(C(=O)[O-])cc3C2)NC(=S)N1 ZINC000065504904 205355694 /nfs/dbraw/zinc/35/56/94/205355694.db2.gz LOAWIYRPKNKXJM-ZJUUUORDSA-N -1 0 351.432 0.329 50 0 FCAARM O=C([O-])[C@]12CN(C(=O)CN3CCOCC3)C[C@H]1COc1ccccc1C2 ZINC000095386710 205749843 /nfs/dbraw/zinc/74/98/43/205749843.db2.gz CDMMSJXWWCHJKT-HNAYVOBHSA-N -1 0 360.410 0.483 50 0 FCAARM O=C([O-])[C@H]1CCCN1C(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000004090582 206168904 /nfs/dbraw/zinc/16/89/04/206168904.db2.gz WYKMLHCHJWMDNM-CABCVRRESA-N -1 0 371.393 0.841 50 0 biogenic FCAARM Cc1cc(C)cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)[O-])c1 ZINC000012443256 206292306 /nfs/dbraw/zinc/29/23/06/206292306.db2.gz KONGSAOYTPUMBQ-UHFFFAOYSA-N -1 0 357.370 0.879 50 0 FCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000013074307 206299652 /nfs/dbraw/zinc/29/96/52/206299652.db2.gz NUMHLYZWEDYCQS-GQCTYLIASA-N -1 0 368.411 0.646 50 0 FCAARM 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DBTWPQCXIHLOSO-BCPZQOPPSA-N -1 0 369.374 0.273 50 0 FCAARM CCN1CCO[C@@H](CN2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)C1 ZINC000952887925 836574093 /nfs/dbraw/zinc/57/40/93/836574093.db2.gz FRVRIMDEDXVXDE-HUUCEWRRSA-N -1 0 355.479 0.598 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000328593038 530026988 /nfs/dbraw/zinc/02/69/88/530026988.db2.gz CZRKBTLSQYCZCR-WHWKNOJMSA-N -1 0 352.412 0.931 50 0 FCAARM NC(=O)CC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000002646223 204049682 /nfs/dbraw/zinc/04/96/82/204049682.db2.gz MKMYDGDMMJGGPJ-QMMMGPOBSA-N -1 0 354.306 0.702 50 0 FCAARM Cc1c(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)nn1C ZINC000002758710 204055063 /nfs/dbraw/zinc/05/50/63/204055063.db2.gz JPYGNUTTXKHNGF-NOZJJQNGSA-N -1 0 370.818 0.754 50 0 FCAARM O=C([O-])CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000004656256 204151252 /nfs/dbraw/zinc/15/12/52/204151252.db2.gz FYCBPEZGMGNTLA-WDZFZDKYSA-N -1 0 358.306 0.980 50 0 FCAARM O=C1c2ccccc2C(=O)N1CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000006084672 204236138 /nfs/dbraw/zinc/23/61/38/204236138.db2.gz SHXDKLACAKGVBH-UHFFFAOYSA-N -1 0 357.347 0.589 50 0 FCAARM COc1cc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)ccc1OCC(N)=O ZINC000299389771 205093988 /nfs/dbraw/zinc/09/39/88/205093988.db2.gz JPNHRSFJFIKARD-HWKANZROSA-N -1 0 362.382 0.896 50 0 FCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000299740623 205118047 /nfs/dbraw/zinc/11/80/47/205118047.db2.gz APGCNDKBKDCNQE-UHFFFAOYSA-N -1 0 368.333 0.976 50 0 FCAARM COc1ccc(NC(=O)CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c(OC)c1 ZINC000055284730 205212564 /nfs/dbraw/zinc/21/25/64/205212564.db2.gz BLFDKXPXTDTYQL-NSHDSACASA-N -1 0 366.370 0.735 50 0 FCAARM Cc1ccncc1C(=O)N1C[C@@H]2CN(c3ncccn3)C[C@]2(C(=O)[O-])C1 ZINC000065380619 205341288 /nfs/dbraw/zinc/34/12/88/205341288.db2.gz BFVSWVPFGJFSEV-FZKQIMNGSA-N -1 0 353.382 0.843 50 0 FCAARM CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3n[nH]c(=O)[n-]3)C2=O)cc1 ZINC000067489620 205372462 /nfs/dbraw/zinc/37/24/62/205372462.db2.gz FRDHZMXGNGOUNX-LJQANCHMSA-N -1 0 373.457 0.865 50 0 FCAARM O=C([O-])c1nn(CCO)c2c1CN(C(=O)c1cccc3c1OCC3)CC2 ZINC000067587226 205375817 /nfs/dbraw/zinc/37/58/17/205375817.db2.gz QTMHLCFPLNVBAW-UHFFFAOYSA-N -1 0 357.366 0.707 50 0 FCAARM Cc1cnn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000071749307 205437885 /nfs/dbraw/zinc/43/78/85/205437885.db2.gz IDNQACBKHVNDPF-UHFFFAOYSA-N -1 0 351.384 0.900 50 0 FCAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000091603007 205682939 /nfs/dbraw/zinc/68/29/39/205682939.db2.gz VAPBQMXZFBMAFK-CQSZACIVSA-N -1 0 368.411 0.397 50 0 FCAARM CCN(CC)C(=O)c1cccc(S(=O)(=O)NCCc2n[nH]c(=O)[n-]2)c1 ZINC000095382494 205746006 /nfs/dbraw/zinc/74/60/06/205746006.db2.gz PVLQWRNXAJLRLM-UHFFFAOYSA-N -1 0 367.431 0.101 50 0 FCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000095373853 205740488 /nfs/dbraw/zinc/74/04/88/205740488.db2.gz BSGUPKDECKPLOA-CYBMUJFWSA-N -1 0 352.412 0.773 50 0 FCAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(S(=O)(=O)N(C)C)C[C@H]21 ZINC000095509611 205774684 /nfs/dbraw/zinc/77/46/84/205774684.db2.gz BZGVPANYBSUMHK-IAQYHMDHSA-N -1 0 356.400 0.364 50 0 FCAARM O=C([O-])Cn1nc(COc2ccccc2)nc1C[C@@H]1CCS(=O)(=O)C1 ZINC000097492581 205910397 /nfs/dbraw/zinc/91/03/97/205910397.db2.gz DARAASCXTJWQLJ-LBPRGKRZSA-N -1 0 365.411 0.919 50 0 FCAARM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237719341 206108143 /nfs/dbraw/zinc/10/81/43/206108143.db2.gz ZGNRKVVHMKRFGM-HNNXBMFYSA-N -1 0 366.377 0.912 50 0 FCAARM O=C1C(Cl)=C(Sc2n[nH]c(=O)[n-]c2=O)C(=O)N1Cc1ccccc1 ZINC000000945011 206143690 /nfs/dbraw/zinc/14/36/90/206143690.db2.gz RFOPDLJUOMODED-UHFFFAOYSA-N -1 0 364.770 0.570 50 0 FCAARM COc1ccccc1/C=c1/[n-]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O ZINC000000752110 206131669 /nfs/dbraw/zinc/13/16/69/206131669.db2.gz SVXGBEWJMBBCQR-JOBJLJCHSA-N -1 0 350.374 0.738 50 0 FCAARM Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000170624279 206132551 /nfs/dbraw/zinc/13/25/51/206132551.db2.gz AQOLYXORUGZMCQ-LBPRGKRZSA-N -1 0 367.365 0.853 50 0 FCAARM CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000002606988 206154164 /nfs/dbraw/zinc/15/41/64/206154164.db2.gz MBHUNHSPKNDVNZ-UHFFFAOYSA-N -1 0 364.383 0.754 50 0 FCAARM COc1ccc([C@H](NC(=O)n2[n-]c(=O)[nH]c2=O)P(=O)(OC)OC)cc1 ZINC000001872241 206152007 /nfs/dbraw/zinc/15/20/07/206152007.db2.gz GEDQQZAWOMFVSJ-SNVBAGLBSA-N -1 0 372.274 0.616 50 0 FCAARM Cc1cc(C)c(S(=O)(=O)NCCC(=O)[O-])cc1N(C)S(C)(=O)=O ZINC000005554109 206194550 /nfs/dbraw/zinc/19/45/50/206194550.db2.gz SRCRFMPQDLKKKU-UHFFFAOYSA-N -1 0 364.445 0.452 50 0 FCAARM Cn1c2nc(SCC(=O)[O-])n(Cc3ccncc3)c2c(=O)n(C)c1=O ZINC000005728768 206197123 /nfs/dbraw/zinc/19/71/23/206197123.db2.gz CCLKRXSDXHEUDO-UHFFFAOYSA-N -1 0 361.383 0.054 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 ZINC000013791346 206306407 /nfs/dbraw/zinc/30/64/07/206306407.db2.gz WDZGIZYQDHHMBX-VIFPVBQESA-N -1 0 351.384 0.180 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@@H]1COCC[C@@H]1Oc1ccc(F)cc1 ZINC000219099342 206379329 /nfs/dbraw/zinc/37/93/29/206379329.db2.gz HHLNOZJVMFZTSH-KGLIPLIRSA-N -1 0 363.345 0.098 50 0 FCAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CN2CCCC2=O)cc1 ZINC000220168383 206397917 /nfs/dbraw/zinc/39/79/17/206397917.db2.gz IDQIXSBXJTZOJB-HUUCEWRRSA-N -1 0 362.382 0.660 50 0 FCAARM COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C)[n-]c3n2)CC1=O ZINC000091550848 132202131 /nfs/dbraw/zinc/20/21/31/132202131.db2.gz NCNFAXLKNHURAO-UHFFFAOYSA-N -1 0 368.397 0.996 50 0 FCAARM Cc1nc(N)nc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1Cl ZINC000095378185 132209069 /nfs/dbraw/zinc/20/90/69/132209069.db2.gz JBAPYGAJRJNRSD-VIFPVBQESA-N -1 0 353.810 0.923 50 0 FCAARM C[C@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC(=O)[O-])c3=O ZINC000004370756 132823402 /nfs/dbraw/zinc/82/34/02/132823402.db2.gz WTWUVIQXSBJUJY-LLVKDONJSA-N -1 0 369.381 0.769 50 0 FCAARM COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2nnn[n-]2)CC1 ZINC000095527278 229159724 /nfs/dbraw/zinc/15/97/24/229159724.db2.gz UGNBAUGMENIJCM-UHFFFAOYSA-N -1 0 374.401 0.146 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000262088723 229297789 /nfs/dbraw/zinc/29/77/89/229297789.db2.gz LGEPAEMCQJMTJB-LLVKDONJSA-N -1 0 360.288 0.747 50 0 FCAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000000944702 487469966 /nfs/dbraw/zinc/46/99/66/487469966.db2.gz SMZNPFQHZDKWHY-UHFFFAOYSA-N -1 0 353.356 0.349 50 0 FCAARM Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1 ZINC000004370741 487476917 /nfs/dbraw/zinc/47/69/17/487476917.db2.gz NGKUCLSHIBNKNR-UHFFFAOYSA-N -1 0 369.381 0.832 50 0 FCAARM CCn1c2nc(SCC(=O)NCC(=O)OC)[n-]c(=O)c2sc1=S ZINC000013609868 487564003 /nfs/dbraw/zinc/56/40/03/487564003.db2.gz PKJRFEMGYLXBGL-UHFFFAOYSA-N -1 0 374.469 0.917 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000014120423 487569432 /nfs/dbraw/zinc/56/94/32/487569432.db2.gz XSSYFZZDGSORJF-RISCZKNCSA-N -1 0 370.427 0.343 50 0 FCAARM CC(NCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000019371858 487604563 /nfs/dbraw/zinc/60/45/63/487604563.db2.gz AAHSZAHPYQUSSB-JQIJEIRASA-N -1 0 372.425 0.774 50 0 FCAARM CC(NN1CCN(C)CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020290885 487609854 /nfs/dbraw/zinc/60/98/54/487609854.db2.gz OPBZQXQMKHWNNS-SQFISAMPSA-N -1 0 357.414 0.495 50 0 FCAARM CCCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=O ZINC000020567689 487611187 /nfs/dbraw/zinc/61/11/87/487611187.db2.gz OTCDTUSNRWESBB-HNNXBMFYSA-N -1 0 361.398 0.905 50 0 biogenic FCAARM CN(Cc1c(Br)cnn1C)C(=O)c1c(C(=O)[O-])cnn1C ZINC000020614662 487611392 /nfs/dbraw/zinc/61/13/92/487611392.db2.gz CTYHLBBAOMPXOF-UHFFFAOYSA-N -1 0 356.180 0.887 50 0 FCAARM CC(C)C[C@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000020758833 487612166 /nfs/dbraw/zinc/61/21/66/487612166.db2.gz CLNJQVSVZAJVGI-LBPRGKRZSA-N -1 0 362.386 0.770 50 0 biogenic FCAARM CCn1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1 ZINC000032818911 487784099 /nfs/dbraw/zinc/78/40/99/487784099.db2.gz IKUVDYFVAOOQTN-UHFFFAOYSA-N -1 0 358.445 0.954 50 0 FCAARM CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1cc(=O)[n-]o1)C2 ZINC000071759052 488377371 /nfs/dbraw/zinc/37/73/71/488377371.db2.gz PYPPDZIXWCIDMA-UHFFFAOYSA-N -1 0 360.418 0.820 50 0 FCAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN[C@@H](C(=O)[O-])C1 ZINC000071771516 488377429 /nfs/dbraw/zinc/37/74/29/488377429.db2.gz OSARIHWFUQBJFH-CQSZACIVSA-N -1 0 364.427 0.536 50 0 FCAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000072410576 488380243 /nfs/dbraw/zinc/38/02/43/488380243.db2.gz GVHSTNLESGZMMB-AWEZNQCLSA-N -1 0 365.411 0.963 50 0 FCAARM O=C([O-])CN1CCN(Cc2ccc(F)cc2F)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077503539 488414399 /nfs/dbraw/zinc/41/43/99/488414399.db2.gz QANOPSPYIOOAOS-UONOGXRCSA-N -1 0 360.382 0.333 50 0 FCAARM O=C([O-])c1ccnc(-c2ccnc(N3C[C@H](O)[C@@H](N4CCOCC4)C3)n2)c1 ZINC000077524801 488415503 /nfs/dbraw/zinc/41/55/03/488415503.db2.gz UDUSZCGNGQAABA-HOTGVXAUSA-N -1 0 371.397 0.119 50 0 FCAARM Cc1cc(=O)n2nc(CC(=O)N3CCO[C@H](c4cccnc4)C3)[n-]c2n1 ZINC000220478083 488445308 /nfs/dbraw/zinc/44/53/08/488445308.db2.gz IGAUDGOOOIUVAW-ZDUSSCGKSA-N -1 0 354.370 0.676 50 0 FCAARM COc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c(OC)c1 ZINC000223188709 488447712 /nfs/dbraw/zinc/44/77/12/488447712.db2.gz FYLZTRWKSDJLLV-UKRRQHHQSA-N -1 0 353.371 0.621 50 0 FCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000268888333 488455046 /nfs/dbraw/zinc/45/50/46/488455046.db2.gz DGXQRJCCOUHYIA-GFCCVEGCSA-N -1 0 350.371 0.608 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000268985302 488460576 /nfs/dbraw/zinc/46/05/76/488460576.db2.gz PPNJYGWQNUSRCK-OAHLLOKOSA-N -1 0 367.423 0.651 50 0 FCAARM NS(=O)(=O)CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091848707 488470899 /nfs/dbraw/zinc/47/08/99/488470899.db2.gz JIUOVDYLZOFLKP-QWHCGFSZSA-N -1 0 358.391 0.521 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1c1ccccc1 ZINC000091974301 488472660 /nfs/dbraw/zinc/47/26/60/488472660.db2.gz BWQMLBGLMXIUKV-UONOGXRCSA-N -1 0 357.366 0.254 50 0 FCAARM Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)c(=O)n1 ZINC000092046304 488473336 /nfs/dbraw/zinc/47/33/36/488473336.db2.gz FNGIFGVVCCTFJK-ZIAGYGMSSA-N -1 0 356.382 0.582 50 0 FCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccc3nccn3c1)CC2 ZINC000095365240 488481478 /nfs/dbraw/zinc/48/14/78/488481478.db2.gz ASJSKOXWMVTVTE-ZDUSSCGKSA-N -1 0 356.382 0.872 50 0 FCAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(OC)nc2OC)CC1 ZINC000095378527 488482850 /nfs/dbraw/zinc/48/28/50/488482850.db2.gz IFRALYGRQKSUIV-CYBMUJFWSA-N -1 0 353.375 0.999 50 0 FCAARM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000095969632 488487781 /nfs/dbraw/zinc/48/77/81/488487781.db2.gz RRWONQIPIBQMEK-CMPLNLGQSA-N -1 0 372.447 0.169 50 0 FCAARM CCCn1ccnc1CN1C[C@H]2CN(S(=O)(=O)CC)C[C@@]2(C(=O)[O-])C1 ZINC000096142061 488489455 /nfs/dbraw/zinc/48/94/55/488489455.db2.gz HHLGMZBUJUHRKE-BBRMVZONSA-N -1 0 370.475 0.461 50 0 FCAARM Cc1ccc(C(=O)N2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)c(C)c1 ZINC000096138340 488489611 /nfs/dbraw/zinc/48/96/11/488489611.db2.gz ICKVYVHFFMFVDR-CXAGYDPISA-N -1 0 366.439 0.722 50 0 FCAARM O=C([O-])COc1ccc(-c2ncccn2)cc1CN1CCOC[C@@H]1CO ZINC000097272447 488492523 /nfs/dbraw/zinc/49/25/23/488492523.db2.gz FAOSGGLCZADUOF-HNNXBMFYSA-N -1 0 359.382 0.800 50 0 FCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100050444 488493648 /nfs/dbraw/zinc/49/36/48/488493648.db2.gz OHVYSJVGZSSBRG-DTWKUNHWSA-N -1 0 352.144 0.439 50 0 FCAARM O=C(Cc1nn2c([n-]1)nc1c(c2=O)CCCC1)N1CCn2cncc2C1 ZINC000102773621 488498332 /nfs/dbraw/zinc/49/83/32/488498332.db2.gz OWPNWYHCGIRYMN-UHFFFAOYSA-N -1 0 353.386 0.078 50 0 FCAARM Nc1nnc(CCC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(=O)[n-]1 ZINC000253535073 488520925 /nfs/dbraw/zinc/52/09/25/488520925.db2.gz BPPCHZPMBOPBCX-YDHLFZDLSA-N -1 0 357.414 0.590 50 0 FCAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000262208106 488557349 /nfs/dbraw/zinc/55/73/49/488557349.db2.gz XKBWXXYBLJHNAF-OAHLLOKOSA-N -1 0 358.354 0.940 50 0 FCAARM CC(=O)N1CCc2cc(S(=O)(=O)N3CCOC[C@@H]3C(=O)[O-])ccc21 ZINC000274953586 488747767 /nfs/dbraw/zinc/74/77/67/488747767.db2.gz AOPAVVJJHCJZKM-CQSZACIVSA-N -1 0 354.384 0.070 50 0 FCAARM Cn1nnc(Br)c1S(=O)(=O)N[C@H]1COc2ccccc2C1 ZINC000170613323 488814364 /nfs/dbraw/zinc/81/43/64/488814364.db2.gz KDMQCCSDTCLOET-SECBINFHSA-N -1 0 373.232 0.860 50 0 FCAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)CCCN3CCOCC3)C2)n1 ZINC000426489613 489570740 /nfs/dbraw/zinc/57/07/40/489570740.db2.gz JUBVYRJVIBUGFG-OAHLLOKOSA-N -1 0 364.446 0.786 50 0 FCAARM Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000426518910 489572252 /nfs/dbraw/zinc/57/22/52/489572252.db2.gz DPXKPADHUKPVQW-XHSDSOJGSA-N -1 0 359.426 0.665 50 0 FCAARM Cc1c(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cnn1C ZINC000408483872 490348526 /nfs/dbraw/zinc/34/85/26/490348526.db2.gz MUGVVDMRHDSVAS-LBPRGKRZSA-N -1 0 368.459 0.715 50 0 FCAARM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1 ZINC000542863949 490912874 /nfs/dbraw/zinc/91/28/74/490912874.db2.gz JVXUWGWWRJJARM-UHFFFAOYSA-N -1 0 353.385 0.178 50 0 FCAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C1CCN(c2cnccn2)CC1 ZINC000655602491 492462557 /nfs/dbraw/zinc/46/25/57/492462557.db2.gz ZFVUSZXUNMFAFY-OAHLLOKOSA-N -1 0 355.398 0.900 50 0 FCAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000663149758 493575635 /nfs/dbraw/zinc/57/56/35/493575635.db2.gz YZLWTHSXBLZLGM-MRXNPFEDSA-N -1 0 356.382 0.592 50 0 FCAARM COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)c1 ZINC000269192891 522869802 /nfs/dbraw/zinc/86/98/02/522869802.db2.gz OTLMPBDYJMEBCF-VXGBXAGGSA-N -1 0 362.382 0.990 50 0 FCAARM CCn1c(=O)[nH]c2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc2c1=O ZINC000268941401 523212445 /nfs/dbraw/zinc/21/24/45/523212445.db2.gz FFOFXPXPMVICCU-LLVKDONJSA-N -1 0 361.354 0.438 50 0 FCAARM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262723041 525146508 /nfs/dbraw/zinc/14/65/08/525146508.db2.gz WVXDSDIRCFLLJE-ZDUSSCGKSA-N -1 0 365.411 0.657 50 0 FCAARM CS(=O)(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000268961813 525160045 /nfs/dbraw/zinc/16/00/45/525160045.db2.gz ZKRDGRDCADNAKZ-OAHLLOKOSA-N -1 0 366.439 0.696 50 0 FCAARM CS(=O)(=O)N1CCCc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC000263066635 525173176 /nfs/dbraw/zinc/17/31/76/525173176.db2.gz YZTKATUWEOWRLZ-AWEZNQCLSA-N -1 0 368.411 0.324 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)CCO1 ZINC000262969339 526285182 /nfs/dbraw/zinc/28/51/82/526285182.db2.gz LHVWEZABMJMZGW-RYUDHWBXSA-N -1 0 362.411 0.972 50 0 FCAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000020724652 527611265 /nfs/dbraw/zinc/61/12/65/527611265.db2.gz IQTRRXBQSPMMHC-UHFFFAOYSA-N -1 0 351.359 0.809 50 0 FCAARM CC1(C)S[C@H]([C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C(=O)[O-])N[C@H]1C(=O)[O-] ZINC000034648377 546508058 /nfs/dbraw/zinc/50/80/58/546508058.db2.gz KDAWOPKDXRJNHV-HNCHTBHHSA-N -1 0 367.427 0.150 50 0 FCAARM CC1(C)O[C@H]2[C@H](n3cnc4c3nc(Cl)nc4N)O[C@H](C(=O)[O-])[C@H]2O1 ZINC000034363683 546516763 /nfs/dbraw/zinc/51/67/63/546516763.db2.gz AAIOFNJSAFFWKY-HEZDBXPZSA-N -1 0 355.738 0.564 50 0 in-vitro FCAARM COc1cccc(-n2cc(CNC(=O)Cc3cc(=O)[nH][n-]c3=O)cn2)c1 ZINC000824792420 1197754259 /nfs/dbraw/zinc/75/42/59/1197754259.db2.gz DLKHNSJACMCRLP-UHFFFAOYSA-N -1 0 355.354 0.941 50 0 FCAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)CCc1ccc(=O)[nH]n1)CC2 ZINC000067712753 1216707551 /nfs/dbraw/zinc/70/75/51/1216707551.db2.gz FJKALFHGHWWCET-UHFFFAOYSA-N -1 0 371.397 0.592 50 0 FCAARM CC(C)C1=NO[C@@H](C(=O)NCC2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000820723160 1245317866 /nfs/dbraw/zinc/31/78/66/1245317866.db2.gz ORTHLASUHFLPRB-GFCCVEGCSA-N -1 0 364.406 0.280 50 0 FCAARM O=C([O-])c1cccnc1N1CCC(CNC(=O)Cn2ccccc2=O)CC1 ZINC001506410375 1264318696 /nfs/dbraw/zinc/31/86/96/1264318696.db2.gz SYSLOQASVTZGTL-UHFFFAOYSA-N -1 0 370.409 0.974 50 0 FCAARM COc1ccc([C@H](C(=O)[O-])N2CCN(CCn3cncn3)CC2)cc1F ZINC001506423560 1264319743 /nfs/dbraw/zinc/31/97/43/1264319743.db2.gz XVLKSJALKCHXAT-MRXNPFEDSA-N -1 0 363.393 0.869 50 0 FCAARM O=C(Cn1ccc2ccccc21)N1CCCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001529093961 1267026465 /nfs/dbraw/zinc/02/64/65/1267026465.db2.gz CJNVXAMIQZYZHI-UHFFFAOYSA-N -1 0 368.397 0.840 50 0 FCAARM CNS(=O)(=O)c1cc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1OC ZINC000606441073 836091923 /nfs/dbraw/zinc/09/19/23/836091923.db2.gz MZYNLLRSHLLFAP-TXNVCOODSA-N -1 0 368.411 0.550 50 0 FCAARM CSCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002430883 204038783 /nfs/dbraw/zinc/03/87/83/204038783.db2.gz DCYYSLYFHPTMEK-LBPRGKRZSA-N -1 0 350.400 0.504 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Cl)cnn3C)[C@@H]2SC1 ZINC000002752042 204054444 /nfs/dbraw/zinc/05/44/44/204054444.db2.gz QCWDXOZIIAXUNK-MADCSZMMSA-N -1 0 356.791 0.446 50 0 FCAARM Cc1cccc(N2CCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1 ZINC000004370781 204135112 /nfs/dbraw/zinc/13/51/12/204135112.db2.gz LUTSIOZHHIWGPT-UHFFFAOYSA-N -1 0 355.354 0.441 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000004537526 204145683 /nfs/dbraw/zinc/14/56/83/204145683.db2.gz ICCXKLSOKHDUBT-HIFRSBDPSA-N -1 0 357.366 0.943 50 0 FCAARM C[C@@]1([N-]C(=S)SCC2=CCS(=O)(=O)C2)CCS(=O)(=O)C1 ZINC000005359631 204204240 /nfs/dbraw/zinc/20/42/40/204204240.db2.gz QULTXTXLIUCNOX-LLVKDONJSA-N -1 0 355.528 0.526 50 0 FCAARM C[C@@H]1CN(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@@H](C)O1 ZINC000005575582 204215555 /nfs/dbraw/zinc/21/55/55/204215555.db2.gz LYBBCHZAXPIHQP-VXGBXAGGSA-N -1 0 370.427 0.851 50 0 FCAARM C[C@H](O)CNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2 ZINC000006661840 204259868 /nfs/dbraw/zinc/25/98/68/204259868.db2.gz SLQXCJCMRKZRIJ-ZETCQYMHSA-N -1 0 356.400 0.733 50 0 FCAARM CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000006742947 204266015 /nfs/dbraw/zinc/26/60/15/204266015.db2.gz QOVMESHRTRCUCG-ZDUSSCGKSA-N -1 0 352.412 0.946 50 0 FCAARM O=C([O-])/C=C/C(=O)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 ZINC000009305022 204361940 /nfs/dbraw/zinc/36/19/40/204361940.db2.gz SXFKZRXROBSTJI-ONEGZZNKSA-N -1 0 367.427 0.477 50 0 FCAARM CCC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)[N-]C(=O)NC1=O ZINC000009328000 204363468 /nfs/dbraw/zinc/36/34/68/204363468.db2.gz WZRNLLPZGQJCTP-UHFFFAOYSA-N -1 0 369.381 0.926 50 0 FCAARM O=C(Cn1[n-]c(=O)ccc1=O)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000009467684 204370121 /nfs/dbraw/zinc/37/01/21/204370121.db2.gz UADSIDLBCDOAEW-UHFFFAOYSA-N -1 0 368.378 0.947 50 0 FCAARM Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)n1CC(=O)[O-] ZINC000012558761 204474862 /nfs/dbraw/zinc/47/48/62/204474862.db2.gz ZQZRVBIFQQSRSB-UHFFFAOYSA-N -1 0 367.365 0.591 50 0 FCAARM CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)NC(=O)N1CC(=O)[O-] ZINC000014246070 204578562 /nfs/dbraw/zinc/57/85/62/204578562.db2.gz XSXULEAGJURECL-MRXNPFEDSA-N -1 0 359.382 0.970 50 0 FCAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000016428052 204635333 /nfs/dbraw/zinc/63/53/33/204635333.db2.gz ZGXACHDARDLPSU-LLVKDONJSA-N -1 0 354.384 0.145 50 0 FCAARM CS(=O)(=O)N[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000299749189 205129505 /nfs/dbraw/zinc/12/95/05/205129505.db2.gz JJVSBYGJGOELIP-AWEZNQCLSA-N -1 0 354.428 0.858 50 0 FCAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc2ncn(C)c(=O)c12 ZINC000299741711 205125258 /nfs/dbraw/zinc/12/52/58/205125258.db2.gz AHHJDDPNDGIUAT-VIFPVBQESA-N -1 0 351.384 0.619 50 0 FCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCn1nc2ccccn2c1=O ZINC000299747872 205126611 /nfs/dbraw/zinc/12/66/11/205126611.db2.gz FLMBRIRICCZLSL-HNNXBMFYSA-N -1 0 366.377 0.924 50 0 FCAARM COc1ccc(C)cc1N1C[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])CC1=O ZINC000299748283 205128324 /nfs/dbraw/zinc/12/83/24/205128324.db2.gz GRKIKMKAXZHSJF-TZMCWYRMSA-N -1 0 362.382 0.669 50 0 FCAARM COc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000299752848 205134997 /nfs/dbraw/zinc/13/49/97/205134997.db2.gz VSZVMEUDQVZFPO-YUELXQCFSA-N -1 0 367.423 0.932 50 0 FCAARM COc1cc([N-]S(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc(OC)c1 ZINC000065246752 205329067 /nfs/dbraw/zinc/32/90/67/205329067.db2.gz WMJNCIKTJMDZIR-UHFFFAOYSA-N -1 0 364.383 0.851 50 0 FCAARM COc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc1OC ZINC000065246743 205329092 /nfs/dbraw/zinc/32/90/92/205329092.db2.gz VOZDBBKIXBZPKD-UHFFFAOYSA-N -1 0 364.383 0.851 50 0 FCAARM CC(C)n1cc(C(=O)N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)cn1 ZINC000065427833 205349634 /nfs/dbraw/zinc/34/96/34/205349634.db2.gz BYPVEZOVDIMOHB-KSSFIOAISA-N -1 0 360.414 0.859 50 0 FCAARM O=C(Cc1nnn[n-]1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000067674436 205382296 /nfs/dbraw/zinc/38/22/96/205382296.db2.gz VDZPJWJENZNORD-UHFFFAOYSA-N -1 0 368.401 0.082 50 0 FCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)Cn1cnc2ccccc2c1=O ZINC000096150216 205836347 /nfs/dbraw/zinc/83/63/47/205836347.db2.gz KMZHAXYKZPMHDG-HNNXBMFYSA-N -1 0 353.338 0.330 50 0 FCAARM Cc1nc2[n-]c(C(=O)N3CCOCC3)nn2c(=O)c1Cc1ccccc1 ZINC000100650744 205945591 /nfs/dbraw/zinc/94/55/91/205945591.db2.gz XQUFAJNIDGNLJS-UHFFFAOYSA-N -1 0 353.382 0.789 50 0 FCAARM CC(C)[C@@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-] ZINC000004090376 206169727 /nfs/dbraw/zinc/16/97/27/206169727.db2.gz BJDWTUXTWLWGOI-GOEBONIOSA-N -1 0 373.409 0.991 50 0 biogenic FCAARM Cc1cc([N-]S(=O)(=O)c2c(C)noc2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011795989 206285346 /nfs/dbraw/zinc/28/53/46/206285346.db2.gz KGPAHMRIUNCGJP-NSHDSACASA-N -1 0 374.444 0.957 50 0 FCAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2=NNC(=O)CC2)cc1 ZINC000219151249 206379561 /nfs/dbraw/zinc/37/95/61/206379561.db2.gz OOFNZBWNQBHXNR-TZMCWYRMSA-N -1 0 361.354 0.303 50 0 FCAARM Cc1cc(=O)n2nc(CC(=O)NCc3nnc4n3CCCCC4)[n-]c2n1 ZINC000220109074 206397907 /nfs/dbraw/zinc/39/79/07/206397907.db2.gz CGRUKGNMMGEBJQ-UHFFFAOYSA-N -1 0 356.390 0.315 50 0 FCAARM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268964737 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ZINC000101761608 488496194 /nfs/dbraw/zinc/49/61/94/488496194.db2.gz JMEGHLXWTOPTFT-NSHDSACASA-N -1 0 360.370 0.246 50 0 FCAARM CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000102616423 488498133 /nfs/dbraw/zinc/49/81/33/488498133.db2.gz TWGHYTJAZCJWAQ-FDOIEUKUSA-N -1 0 372.834 0.802 50 0 FCAARM Cn1cc(N2CC[C@H](NC(=O)CCc3ccc(C(=O)[O-])cc3)C2=O)cn1 ZINC000262387699 488567501 /nfs/dbraw/zinc/56/75/01/488567501.db2.gz JRFTUFXHNSVCTA-HNNXBMFYSA-N -1 0 356.382 0.973 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CCO1 ZINC000263050801 488603747 /nfs/dbraw/zinc/60/37/47/488603747.db2.gz WVQTUPVDQHFOHJ-NOZJJQNGSA-N -1 0 354.309 0.630 50 0 FCAARM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263072783 488604089 /nfs/dbraw/zinc/60/40/89/488604089.db2.gz ZUXXBJKGCDJKGS-KGLIPLIRSA-N -1 0 363.349 0.216 50 0 FCAARM Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263072805 488604255 /nfs/dbraw/zinc/60/42/55/488604255.db2.gz ZUXXBJKGCDJKGS-ZIAGYGMSSA-N -1 0 363.349 0.216 50 0 FCAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000170609320 488814297 /nfs/dbraw/zinc/81/42/97/488814297.db2.gz KALASNQQBBVFER-CWSCBRNRSA-N -1 0 373.475 0.859 50 0 FCAARM Cc1c2ccc(=O)c(O)c-2oc([O-])c1CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000334158047 489267111 /nfs/dbraw/zinc/26/71/11/489267111.db2.gz LGSWKZFDUKFGON-VIFPVBQESA-N -1 0 367.379 0.310 50 0 FCAARM Cc1c2ccc(=O)cc-2oc([O-])c1CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000334158138 489267191 /nfs/dbraw/zinc/26/71/91/489267191.db2.gz SQZSJTNTHRYKHJ-NSHDSACASA-N -1 0 365.407 0.995 50 0 FCAARM CC(=O)N[C@@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)c1c(F)cccc1F ZINC000485828581 490562370 /nfs/dbraw/zinc/56/23/70/490562370.db2.gz BOSLQFKIYKKKTR-STQMWFEESA-N -1 0 356.325 0.844 50 0 FCAARM CCOc1ccc(-n2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2C)nn1 ZINC000485830660 490562567 /nfs/dbraw/zinc/56/25/67/490562567.db2.gz FVVKBXWFXVBDOA-GFCCVEGCSA-N -1 0 361.358 0.295 50 0 FCAARM O=C([O-])CCN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 ZINC000558923149 491449183 /nfs/dbraw/zinc/44/91/83/491449183.db2.gz BRNKKQMLMPSMAY-SNVBAGLBSA-N -1 0 366.336 0.880 50 0 FCAARM CCOc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)ccc1OCC(=O)[O-] ZINC000585138620 491720433 /nfs/dbraw/zinc/72/04/33/491720433.db2.gz OXBCAVMXIPBIGJ-CJNGLKHVSA-N -1 0 364.398 0.704 50 0 FCAARM CC1(C)COC[C@H]1NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652096707 492879191 /nfs/dbraw/zinc/87/91/91/492879191.db2.gz NEOWUFNZIGBXOB-WCQYABFASA-N -1 0 353.419 0.519 50 0 FCAARM COc1ccc(O)c(C(=O)N2CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C2)c1 ZINC000653552912 493159592 /nfs/dbraw/zinc/15/95/92/493159592.db2.gz NAHVBMNPSMYKKX-CYBMUJFWSA-N -1 0 366.370 0.175 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 ZINC000681942555 493254472 /nfs/dbraw/zinc/25/44/72/493254472.db2.gz MQXHHJSYCSAUER-LBPRGKRZSA-N -1 0 351.359 0.326 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)CCO1 ZINC000681944250 493255265 /nfs/dbraw/zinc/25/52/65/493255265.db2.gz WMOYSHPBCOZNQA-CYBMUJFWSA-N -1 0 362.386 0.128 50 0 FCAARM O=C([O-])C1CCN(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000670453074 493569410 /nfs/dbraw/zinc/56/94/10/493569410.db2.gz JREQLPLRILXSQG-GFCCVEGCSA-N -1 0 373.475 0.409 50 0 FCAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C1 ZINC000091535498 519443802 /nfs/dbraw/zinc/44/38/02/519443802.db2.gz ZHVCMVDYLLMVEX-GOSISDBHSA-N -1 0 363.414 0.666 50 0 FCAARM CCOc1ccccc1[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])NC(C)=O ZINC000299748836 521574830 /nfs/dbraw/zinc/57/48/30/521574830.db2.gz IJVYJECVXITPTM-HUUCEWRRSA-N -1 0 364.398 0.965 50 0 FCAARM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc(Cl)c1OCC(N)=O ZINC000269165009 522088286 /nfs/dbraw/zinc/08/82/86/522088286.db2.gz DXNGXOIBIWYNOG-MRVPVSSYSA-N -1 0 356.762 0.759 50 0 FCAARM COC[C@@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1ccnn1C ZINC000091644228 522340445 /nfs/dbraw/zinc/34/04/45/522340445.db2.gz HUYZRVVSHJXQMK-CYBMUJFWSA-N -1 0 357.370 0.594 50 0 FCAARM COc1ccc(CN2C[C@H](C(=O)Nc3ccn(CC(=O)[O-])n3)CC2=O)cc1 ZINC000268926588 524041867 /nfs/dbraw/zinc/04/18/67/524041867.db2.gz FJTYAZRCAJUBND-CYBMUJFWSA-N -1 0 372.381 0.964 50 0 FCAARM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]3C(=O)[O-])C2=O)cc1 ZINC000269123394 525869091 /nfs/dbraw/zinc/86/90/91/525869091.db2.gz VIPCNSNVUKDETC-FZKQIMNGSA-N -1 0 359.382 0.838 50 0 FCAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000262719492 526323802 /nfs/dbraw/zinc/32/38/02/526323802.db2.gz UUPNURKADNQJBI-CQSZACIVSA-N -1 0 357.366 0.134 50 0 FCAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCN(CCn2cncn2)CC1 ZINC000082147367 526600360 /nfs/dbraw/zinc/60/03/60/526600360.db2.gz JCRJLBGTMCHCKQ-UHFFFAOYSA-N -1 0 367.413 0.215 50 0 FCAARM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268997553 527569396 /nfs/dbraw/zinc/56/93/96/527569396.db2.gz XFZNRMZKHOIEER-HNNXBMFYSA-N -1 0 373.413 0.750 50 0 FCAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095370563 663906195 /nfs/dbraw/zinc/90/61/95/663906195.db2.gz DCKMKDHRHWNFOO-NSHDSACASA-N -1 0 370.431 0.113 50 0 FCAARM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262532375 665170538 /nfs/dbraw/zinc/17/05/38/665170538.db2.gz PTUIXGCVJMRARY-GUYCJALGSA-N -1 0 368.455 0.419 50 0 FCAARM Cn1c(=O)cc(C(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)n(C)c1=O ZINC000095388855 1213349573 /nfs/dbraw/zinc/34/95/73/1213349573.db2.gz FTEBJDFPPMEGKL-ZDUSSCGKSA-N -1 0 371.393 0.487 50 0 FCAARM Cc1ccncc1C(=O)N1C[C@H](C(=O)N2CCN(C)CC2)C[C@H](C(=O)[O-])C1 ZINC000072146398 1219203622 /nfs/dbraw/zinc/20/36/22/1219203622.db2.gz ZSDPZFPNKYBKRJ-CABCVRRESA-N -1 0 374.441 0.327 50 0 FCAARM CC(C)C1=NO[C@H](C(=O)NCC2CCN(C(=O)c3n[nH]c(=O)[n-]3)CC2)C1 ZINC000820723161 1245317968 /nfs/dbraw/zinc/31/79/68/1245317968.db2.gz ORTHLASUHFLPRB-LBPRGKRZSA-N -1 0 364.406 0.280 50 0 FCAARM Cc1nc2ncc(C(=O)N3CCCN(C(=O)c4ccco4)CC3)c(=O)n2[n-]1 ZINC001506422780 1264319297 /nfs/dbraw/zinc/31/92/97/1264319297.db2.gz DLMLLJMISSYKCI-UHFFFAOYSA-N -1 0 370.369 0.307 50 0 FCAARM CC(C)N1C(=O)CO[C@H](C(=O)NCc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1 ZINC001529166892 1267037578 /nfs/dbraw/zinc/03/75/78/1267037578.db2.gz CUIFEHSZZYJBJF-CABCVRRESA-N -1 0 359.386 0.504 50 0 FCAARM CCN1CCO[C@@H](CN2CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)C1 ZINC000952887916 836574198 /nfs/dbraw/zinc/57/41/98/836574198.db2.gz FRVRIMDEDXVXDE-CABCVRRESA-N -1 0 355.479 0.598 50 0 FCAARM CCNC(=O)c1ccnc(N2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)c1 ZINC000299795732 203777100 /nfs/dbraw/zinc/77/71/00/203777100.db2.gz MJABUVXBUFGSKF-QWHCGFSZSA-N -1 0 358.402 0.655 50 0 FCAARM CCn1cc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c(C)n1 ZINC000002782909 204056835 /nfs/dbraw/zinc/05/68/35/204056835.db2.gz IJOXKHNJMVSZKD-HZMBPMFUSA-N -1 0 350.400 0.584 50 0 FCAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000005256955 204199820 /nfs/dbraw/zinc/19/98/20/204199820.db2.gz WTQHILSPHRDTEG-UHFFFAOYSA-N -1 0 367.362 0.239 50 0 FCAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000005317701 204202509 /nfs/dbraw/zinc/20/25/09/204202509.db2.gz INHBBLAAKUFQTQ-NHCYSSNCSA-N -1 0 359.423 0.761 50 0 biogenic FCAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)[O-])C2)cc1 ZINC000006645526 204258063 /nfs/dbraw/zinc/25/80/63/204258063.db2.gz APBXBIDTOFOEDC-LBPRGKRZSA-N -1 0 370.427 0.687 50 0 FCAARM CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)CC1 ZINC000006645460 204257549 /nfs/dbraw/zinc/25/75/49/204257549.db2.gz LAQBVXSPDDEIAL-HPTBWKMGSA-N -1 0 350.371 0.474 50 0 FCAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000006764404 204266701 /nfs/dbraw/zinc/26/67/01/204266701.db2.gz COHKDTKJISNOMC-UHFFFAOYSA-N -1 0 370.427 0.687 50 0 FCAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-] ZINC000036358367 205012343 /nfs/dbraw/zinc/01/23/43/205012343.db2.gz PDQSWGIWIXRVFN-JTQLQIEISA-N -1 0 365.415 0.874 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000299743763 205126597 /nfs/dbraw/zinc/12/65/97/205126597.db2.gz PIDMUVXDACDKED-RQJABVFESA-N -1 0 358.460 0.902 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000299748545 205127321 /nfs/dbraw/zinc/12/73/21/205127321.db2.gz HKNLVEWNUIQQMQ-TVQRCGJNSA-N -1 0 354.309 0.630 50 0 FCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CCO1 ZINC000299753815 205134190 /nfs/dbraw/zinc/13/41/90/205134190.db2.gz ZLSKNPGEFFSLQO-HZPDHXFCSA-N -1 0 360.410 0.780 50 0 FCAARM Cn1ncc2c1ncn(CC(=O)N1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)[O-])c2=O ZINC000299753875 205136509 /nfs/dbraw/zinc/13/65/09/205136509.db2.gz ZPKODMGAFVNKJZ-UHTWSYAYSA-N -1 0 359.386 0.374 50 0 FCAARM O=C([O-])c1cc(-n2cncn2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071751018 205438776 /nfs/dbraw/zinc/43/87/76/205438776.db2.gz LXYFKKWDRVRHHE-UHFFFAOYSA-N -1 0 354.413 0.703 50 0 FCAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(C(=O)CCc1nc3ccccc3s1)C2 ZINC000072478644 205562134 /nfs/dbraw/zinc/56/21/34/205562134.db2.gz BWLNTOXWLQBBOT-DYZYQPBXSA-N -1 0 359.407 0.888 50 0 FCAARM Nc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cn1 ZINC000072422659 205539010 /nfs/dbraw/zinc/53/90/10/205539010.db2.gz QERXMPAAJKQKAJ-AWEZNQCLSA-N -1 0 372.425 0.982 50 0 FCAARM Cc1cc(=O)n2nc(CC(=O)N3CCC[C@H](c4nccn4C)C3)[n-]c2n1 ZINC000082115667 205644360 /nfs/dbraw/zinc/64/43/60/205644360.db2.gz RZXLIKYTDBFKEM-LBPRGKRZSA-N -1 0 355.402 0.821 50 0 FCAARM Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000091452689 205674523 /nfs/dbraw/zinc/67/45/23/205674523.db2.gz VGKDCIVQTJCSEN-LBPRGKRZSA-N -1 0 352.412 0.739 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091830813 205696812 /nfs/dbraw/zinc/69/68/12/205696812.db2.gz ZIOJDMSNGKCFAD-WDEREUQCSA-N -1 0 357.322 0.439 50 0 FCAARM COc1ccc(Cc2nc([C@@H]3CCC(=O)N3)n(CC(=O)[O-])n2)cc1OC ZINC000097602170 205917148 /nfs/dbraw/zinc/91/71/48/205917148.db2.gz XDZIIPNHGDYJAJ-NSHDSACASA-N -1 0 360.370 0.922 50 0 FCAARM Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000170624280 206132620 /nfs/dbraw/zinc/13/26/20/206132620.db2.gz AQOLYXORUGZMCQ-GFCCVEGCSA-N -1 0 367.365 0.853 50 0 FCAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-] ZINC000005317725 206194614 /nfs/dbraw/zinc/19/46/14/206194614.db2.gz INHBBLAAKUFQTQ-JBLDHEPKSA-N -1 0 359.423 0.761 50 0 biogenic FCAARM Cn1c2ncn(Cc3n[n-]c(=S)n3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000005491052 206195762 /nfs/dbraw/zinc/19/57/62/206195762.db2.gz JRCDDCCVJGAUEW-UHFFFAOYSA-N -1 0 369.410 0.725 50 0 FCAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)CNC(=O)c1ccccc1 ZINC000005716166 206196958 /nfs/dbraw/zinc/19/69/58/206196958.db2.gz RUDSYUUATCWDQG-UHFFFAOYSA-N -1 0 370.361 0.925 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(N2CCOCC2)CCCCC1 ZINC000218133845 206367286 /nfs/dbraw/zinc/36/72/86/206367286.db2.gz PLGQKFLUUATVBF-HUUCEWRRSA-N -1 0 370.446 0.396 50 0 FCAARM CCOC(=O)c1c[nH]c(=O)c([C@@H](CC(=O)[O-])c2cnn3cccnc23)c1O ZINC000218178169 206369147 /nfs/dbraw/zinc/36/91/47/206369147.db2.gz ZMXMFNHEORJBRK-VIFPVBQESA-N -1 0 372.337 0.907 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000223486619 206441171 /nfs/dbraw/zinc/44/11/71/206441171.db2.gz JUKRMRYFGHRFKT-HTQZYQBOSA-N -1 0 355.821 0.939 50 0 FCAARM C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000195352675 533196135 /nfs/dbraw/zinc/19/61/35/533196135.db2.gz CDYAMJZUBNWKMZ-NSHDSACASA-N -1 0 372.413 0.012 50 0 FCAARM CN1CCN2CCN(c3nccc(-c4cc(C(=O)[O-])ccn4)n3)C[C@H]2C1=O ZINC000107129803 132266597 /nfs/dbraw/zinc/26/65/97/132266597.db2.gz SKGNMOOWELZSQS-HNNXBMFYSA-N -1 0 368.397 0.199 50 0 FCAARM C[C@@H](Oc1ccccc1CN1CCN(c2cnn(C)c(=O)c2)CC1)C(=O)[O-] ZINC000215100771 132269836 /nfs/dbraw/zinc/26/98/36/132269836.db2.gz PDGPUPQCOMUVTB-CQSZACIVSA-N -1 0 372.425 0.954 50 0 FCAARM CSCC[C@H](NC(=O)c1cnc(N2CCN(C)CC2)nc1C)C(=O)[O-] ZINC000299784567 132299844 /nfs/dbraw/zinc/29/98/44/132299844.db2.gz OGBXHQYUFUJMJA-ZDUSSCGKSA-N -1 0 367.475 0.473 50 0 FCAARM Cc1cc(=O)n2nc(CC(=O)N3CCN(c4ccccc4F)CC3)[n-]c2n1 ZINC000009341368 132378476 /nfs/dbraw/zinc/37/84/76/132378476.db2.gz GNGHUECYESFJNP-UHFFFAOYSA-N -1 0 370.388 0.756 50 0 FCAARM Cn1cc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C(N)=O ZINC000069510478 136141128 /nfs/dbraw/zinc/14/11/28/136141128.db2.gz BDCXAWWLHZOALI-UHFFFAOYSA-N -1 0 363.395 0.964 50 0 FCAARM CC(=O)Nc1c(O)nc(SCC(=O)N[C@@H](C)c2ccccc2)[n-]c1=O ZINC000000884902 487469785 /nfs/dbraw/zinc/46/97/85/487469785.db2.gz URZMHVQQFHWDJY-VIFPVBQESA-N -1 0 362.411 0.114 50 0 FCAARM Cn1c(SCc2ccc(C(=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001299068 487469902 /nfs/dbraw/zinc/46/99/02/487469902.db2.gz QZCVZGJVAUXYRK-UHFFFAOYSA-N -1 0 360.395 0.961 50 0 FCAARM CSCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009319196 487525829 /nfs/dbraw/zinc/52/58/29/487525829.db2.gz GZBCAUYLMFDKNK-NSHDSACASA-N -1 0 351.384 0.012 50 0 biogenic FCAARM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000009338469 487525190 /nfs/dbraw/zinc/52/51/90/487525190.db2.gz XQAMGNZNDHGVKU-UHFFFAOYSA-N -1 0 355.397 0.234 50 0 FCAARM CSCC[C@@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1C)C(=O)[O-] ZINC000011635252 487545024 /nfs/dbraw/zinc/54/50/24/487545024.db2.gz ARGURTFANSQQJJ-MRVPVSSYSA-N -1 0 359.429 0.649 50 0 FCAARM O=C([O-])CCCNC(=O)NCC1=N[C@H]2C(=CNN2c2ccccc2)C(=O)N1 ZINC000013689725 487565970 /nfs/dbraw/zinc/56/59/70/487565970.db2.gz HVWJCHWXPLEGOA-IUODEOHRSA-N -1 0 372.385 0.127 50 0 FCAARM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000014118719 487569283 /nfs/dbraw/zinc/56/92/83/487569283.db2.gz QDBIAYALPPTWLP-SMDDNHRTSA-N -1 0 372.443 0.589 50 0 FCAARM CC(=O)NCCNC(=O)C[C@H](C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826885 487584635 /nfs/dbraw/zinc/58/46/35/487584635.db2.gz NVGWJYWENAGHKR-LLVKDONJSA-N -1 0 366.443 0.677 50 0 FCAARM Cc1cc(Cc2ccc(S(=O)(=O)N(C)CC(=O)[O-])cc2)c(=O)[nH]n1 ZINC000020096243 487609326 /nfs/dbraw/zinc/60/93/26/487609326.db2.gz LINNGPPHJHRMOC-UHFFFAOYSA-N -1 0 351.384 0.374 50 0 FCAARM O=C(Cn1cc(Br)c(=O)[nH]c1=O)[N-]OCc1ccccc1 ZINC000025284314 487662526 /nfs/dbraw/zinc/66/25/26/487662526.db2.gz IMXVYSTXOIHZOB-UHFFFAOYSA-N -1 0 354.160 0.547 50 0 FCAARM CN(C)C(=O)CN1CCN(c2ccc(NC(=O)C3CC3)c(C(=O)[O-])c2)CC1 ZINC000035482698 487797521 /nfs/dbraw/zinc/79/75/21/487797521.db2.gz KOLREFHFRUQYLC-UHFFFAOYSA-N -1 0 374.441 0.944 50 0 FCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000071288011 488377235 /nfs/dbraw/zinc/37/72/35/488377235.db2.gz DMJDRQOEWSMHDZ-KBPBESRZSA-N -1 0 359.382 0.554 50 0 FCAARM O=C([O-])c1cc(-n2cc(CCO)cn2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071755077 488377419 /nfs/dbraw/zinc/37/74/19/488377419.db2.gz QJBTVKGFBAOOSH-UHFFFAOYSA-N -1 0 365.411 0.890 50 0 FCAARM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC000072153662 488378662 /nfs/dbraw/zinc/37/86/62/488378662.db2.gz GKJWAUSOHLBNQC-CYBMUJFWSA-N -1 0 351.384 0.737 50 0 FCAARM Cn1ccnc1-c1ccccc1C(=O)N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072407045 488380094 /nfs/dbraw/zinc/38/00/94/488380094.db2.gz BPETYXOIGIJCIH-SCLBCKFNSA-N -1 0 354.366 0.360 50 0 FCAARM CCN1C[C@@]2(C(=O)[O-])CN(C(=O)CCc3scnc3C)C[C@H]2C1=O ZINC000072421465 488380445 /nfs/dbraw/zinc/38/04/45/488380445.db2.gz KURKYCALLILONY-MEDUHNTESA-N -1 0 351.428 0.776 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cnn4ccn(C)c34)CC2)c1 ZINC000072428271 488380606 /nfs/dbraw/zinc/38/06/06/488380606.db2.gz ZEUHGHYTACPREF-UHFFFAOYSA-N -1 0 356.386 0.894 50 0 FCAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCNC(=O)c1ccccc1F ZINC000072473557 488381631 /nfs/dbraw/zinc/38/16/31/488381631.db2.gz NHYHTMBOIIAILR-OAHLLOKOSA-N -1 0 360.345 0.879 50 0 FCAARM Cc1ccc(S(=O)(=O)CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])N(C)C2)cc1 ZINC000222474076 488446446 /nfs/dbraw/zinc/44/64/46/488446446.db2.gz XGIAKJMBTAJQMV-JSGCOSHPSA-N -1 0 354.428 0.432 50 0 FCAARM COc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c(OC)c1 ZINC000222518972 488446622 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ZINC000102119720 209232051 /nfs/dbraw/zinc/23/20/51/209232051.db2.gz BKEWFQVEFNENAS-HNNXBMFYSA-N -1 0 372.429 0.388 50 0 FCAARM CO[C@](O)([N-]c1cccc[nH+]1)C1=C([O-])c2ccccc2S(=O)(=O)N1C ZINC000101172280 209222054 /nfs/dbraw/zinc/22/20/54/209222054.db2.gz QROVADNFQGPVAJ-CVEARBPZSA-N -1 0 363.395 0.672 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100639106 209216388 /nfs/dbraw/zinc/21/63/88/209216388.db2.gz FOBTVDUCPRNSBE-DZGCQCFKSA-N -1 0 357.366 0.943 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2 ZINC000100639770 209215963 /nfs/dbraw/zinc/21/59/63/209215963.db2.gz JKNBQCGXSBPIGB-QWRGUYRKSA-N -1 0 351.746 0.729 50 0 FCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000100050448 209208826 /nfs/dbraw/zinc/20/88/26/209208826.db2.gz OHVYSJVGZSSBRG-RKDXNWHRSA-N -1 0 352.144 0.439 50 0 FCAARM CN(C(=O)c1cc(=O)c2cccc(F)c2[n-]1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000097475573 209183004 /nfs/dbraw/zinc/18/30/04/209183004.db2.gz 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CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000030581996 487746249 /nfs/dbraw/zinc/74/62/49/487746249.db2.gz KUWVDHICGUZZTI-JTQLQIEISA-N -1 0 370.456 0.367 50 0 FCAARM O=C([N-]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000058265459 488282193 /nfs/dbraw/zinc/28/21/93/488282193.db2.gz YKZGWIRPNNWLHX-UHFFFAOYSA-N -1 0 352.334 0.886 50 0 FCAARM Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C(=O)[O-])C1 ZINC000065427031 488317686 /nfs/dbraw/zinc/31/76/86/488317686.db2.gz SJQYJRKSDZANOT-UGSOOPFHSA-N -1 0 360.414 0.432 50 0 FCAARM Cc1cc(C)n2nc(CC(=O)N3CCCn4nc(C(=O)[O-])cc4C3)nc2n1 ZINC000065382278 488317773 /nfs/dbraw/zinc/31/77/73/488317773.db2.gz OEAZKDVIGGGCHX-UHFFFAOYSA-N -1 0 369.385 0.611 50 0 FCAARM CN(C)C(=O)c1cncc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)n1 ZINC000067446951 488351328 /nfs/dbraw/zinc/35/13/28/488351328.db2.gz CYLAVQFHMCELIU-LLVKDONJSA-N -1 0 359.390 0.385 50 0 FCAARM Cc1nc(N)nc(C)c1CC(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000067803659 488356045 /nfs/dbraw/zinc/35/60/45/488356045.db2.gz UHYAEIUGWXTIDO-UHFFFAOYSA-N -1 0 372.429 0.975 50 0 FCAARM Cn1nc(-c2ccccc2)cc1C(=O)N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072408239 488379925 /nfs/dbraw/zinc/37/99/25/488379925.db2.gz LWUIOPJVXPVFMH-KPZWWZAWSA-N -1 0 354.366 0.360 50 0 FCAARM CN(Cc1ccc(CN2CCc3nc[nH]c3[C@@H]2C(=O)[O-])o1)S(C)(=O)=O ZINC000072473119 488381594 /nfs/dbraw/zinc/38/15/94/488381594.db2.gz LQOBNAOQTKVLOJ-CQSZACIVSA-N -1 0 368.415 0.578 50 0 FCAARM O=C([O-])CN1CCN(CCC(F)(F)C(F)F)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077322422 488410734 /nfs/dbraw/zinc/41/07/34/488410734.db2.gz IECSDSVDLODCEG-DTWKUNHWSA-N -1 0 362.345 0.145 50 0 FCAARM Nc1n[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c1-c1ccccc1 ZINC000218609405 488443361 /nfs/dbraw/zinc/44/33/61/488443361.db2.gz WJMGFVGAQZZHOW-VXGBXAGGSA-N -1 0 360.370 0.647 50 0 FCAARM O=C([O-])c1csc(CCNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)n1 ZINC000220120395 488444937 /nfs/dbraw/zinc/44/49/37/488444937.db2.gz JPLGXOSMPQAKFI-CYBMUJFWSA-N -1 0 372.410 0.971 50 0 FCAARM CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000225427264 488450171 /nfs/dbraw/zinc/45/01/71/488450171.db2.gz VVIIRBUSQHLMPA-UHFFFAOYSA-N -1 0 361.786 0.960 50 0 FCAARM Cc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000091518975 488464904 /nfs/dbraw/zinc/46/49/04/488464904.db2.gz NNLNYZQKTUPRLQ-CYBMUJFWSA-N -1 0 358.398 0.858 50 0 FCAARM Cc1cc(N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)nc(-c2ccccc2[O-])n1 ZINC000091563403 488465288 /nfs/dbraw/zinc/46/52/88/488465288.db2.gz UVPOVFNGOIRYEE-YPMHNXCESA-N -1 0 353.382 0.669 50 0 FCAARM C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)C[C@@]2(C(=O)[O-])C1 ZINC000091650345 488467160 /nfs/dbraw/zinc/46/71/60/488467160.db2.gz APMYSLAFDNSTQK-DJJJIMSYSA-N -1 0 370.409 0.644 50 0 FCAARM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000091645810 488467173 /nfs/dbraw/zinc/46/71/73/488467173.db2.gz OOEQQFTVJKDPJS-GFCCVEGCSA-N -1 0 361.398 0.693 50 0 FCAARM COc1cccc([C@@H]2CN(c3cc(N)nc(N)n3)C[C@H]2C(=O)[O-])c1OC ZINC000091713160 488468731 /nfs/dbraw/zinc/46/87/31/488468731.db2.gz XOBROKKNIWESME-WDEREUQCSA-N -1 0 359.386 0.963 50 0 FCAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)N1CCN(C(C)=O)CC1 ZINC000096298679 488490904 /nfs/dbraw/zinc/49/09/04/488490904.db2.gz NUMHLYZWEDYCQS-XQRVVYSFSA-N -1 0 368.411 0.646 50 0 FCAARM Cc1nn2c([n-]1)ncc(C(=O)N1CCC[C@H](OCc3cccnc3)C1)c2=O ZINC000101729853 488495883 /nfs/dbraw/zinc/49/58/83/488495883.db2.gz RASXFSQUTPVTHZ-AWEZNQCLSA-N -1 0 368.397 0.942 50 0 FCAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1cccnc1Cl ZINC000101775451 488496831 /nfs/dbraw/zinc/49/68/31/488496831.db2.gz KFLAKVQCUJVJAK-MWLCHTKSSA-N -1 0 370.818 0.695 50 0 FCAARM O=C([C@@H]1COc2ccccc2O1)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102989998 488498782 /nfs/dbraw/zinc/49/87/82/488498782.db2.gz OXRPFISMQVOFGK-HNNXBMFYSA-N -1 0 352.350 0.747 50 0 FCAARM NC(=O)CCn1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000117740353 488552419 /nfs/dbraw/zinc/55/24/19/488552419.db2.gz NMTRMHZLXHQOIV-UHFFFAOYSA-N -1 0 374.426 0.804 50 0 FCAARM CC(C)[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000262152383 488553811 /nfs/dbraw/zinc/55/38/11/488553811.db2.gz UCLWAABNMXRTRL-UONOGXRCSA-N -1 0 359.386 0.849 50 0 FCAARM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262161133 488554180 /nfs/dbraw/zinc/55/41/80/488554180.db2.gz VHDXJLMAQQYOEW-AWEZNQCLSA-N -1 0 368.411 0.461 50 0 FCAARM O=C([O-])C1(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCOCC1 ZINC000262731344 488588418 /nfs/dbraw/zinc/58/84/18/488588418.db2.gz HGZVZMQEXIDFFS-UHFFFAOYSA-N -1 0 371.393 0.903 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CCO1 ZINC000263061427 488603755 /nfs/dbraw/zinc/60/37/55/488603755.db2.gz YEXNGVILPNBDPP-LBPRGKRZSA-N -1 0 353.762 0.795 50 0 FCAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000170609319 488814391 /nfs/dbraw/zinc/81/43/91/488814391.db2.gz KALASNQQBBVFER-BREBYQMCSA-N -1 0 373.475 0.859 50 0 FCAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CC[S@@](=O)C3)cc2[n-]c1=S ZINC000170651687 488814597 /nfs/dbraw/zinc/81/45/97/488814597.db2.gz JWQUKFIDNRKWFD-SDWAUSNYSA-N -1 0 351.453 0.956 50 0 FCAARM CSCC[C@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000426526970 489573369 /nfs/dbraw/zinc/57/33/69/489573369.db2.gz RBWLIXDLGNYOSS-NSHDSACASA-N -1 0 360.457 0.887 50 0 FCAARM Cc1ccc2c(CC(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])coc2c1 ZINC000643431053 492456931 /nfs/dbraw/zinc/45/69/31/492456931.db2.gz UFGRMBSENJJCBI-CYBMUJFWSA-N -1 0 351.380 0.994 50 0 FCAARM Cc1ccc2c(CC(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])coc2c1 ZINC000643431054 492457127 /nfs/dbraw/zinc/45/71/27/492457127.db2.gz UFGRMBSENJJCBI-ZDUSSCGKSA-N -1 0 351.380 0.994 50 0 FCAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000643432783 492459267 /nfs/dbraw/zinc/45/92/67/492459267.db2.gz ZVZJXNBAHZXUSA-CWSCBRNRSA-N -1 0 359.350 0.779 50 0 FCAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000643432785 492459463 /nfs/dbraw/zinc/45/94/63/492459463.db2.gz ZVZJXNBAHZXUSA-NRUUGDAUSA-N -1 0 359.350 0.779 50 0 FCAARM C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(=O)[O-] ZINC000670459572 493569738 /nfs/dbraw/zinc/56/97/38/493569738.db2.gz BZRCUBWRPSURBW-ZCFIWIBFSA-N -1 0 353.326 0.862 50 0 FCAARM CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OCN4C)CC1 ZINC000000537947 523921308 /nfs/dbraw/zinc/92/13/08/523921308.db2.gz BPFYOAJNDMUVBL-UHFFFAOYSA-N -1 0 362.361 0.508 50 0 in-man FCAARM O=C(c1cccc(Cn2cccn2)c1)N1CCc2c(=O)n(CCO)[n-]c2C1 ZINC000091468891 526763117 /nfs/dbraw/zinc/76/31/17/526763117.db2.gz OHJONMWKOWKLQP-UHFFFAOYSA-N -1 0 367.409 0.612 50 0 FCAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CC1 ZINC000268953537 527605452 /nfs/dbraw/zinc/60/54/52/527605452.db2.gz SDFSNZCFMXEWLO-LLVKDONJSA-N -1 0 360.366 0.886 50 0 FCAARM O=C([O-])[C@@]12CN(S(=O)(=O)c3cnc4ccccn43)C[C@@H]1COCC2 ZINC001772701126 1181654216 /nfs/dbraw/zinc/65/42/16/1181654216.db2.gz 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0.664 50 0 FCAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(S(=O)(=O)NCCOC)c1 ZINC000095970267 209092099 /nfs/dbraw/zinc/09/20/99/209092099.db2.gz SYOSLYQFJBPKDV-INIZCTEOSA-N -1 0 372.443 0.985 50 0 FCAARM COCc1ccc(C(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)o1 ZINC000092028896 209013420 /nfs/dbraw/zinc/01/34/20/209013420.db2.gz VDVIMLHOWMMZAC-LBPRGKRZSA-N -1 0 350.371 0.964 50 0 FCAARM COc1cccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c1OC ZINC000095374264 209037746 /nfs/dbraw/zinc/03/77/46/209037746.db2.gz QUYNJXJAGRONGX-GFCCVEGCSA-N -1 0 362.382 0.899 50 0 FCAARM Cn1ccnc1-c1ccc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)nn1 ZINC000095361926 132207726 /nfs/dbraw/zinc/20/77/26/132207726.db2.gz VFPPVMMSRCIAAY-GFCCVEGCSA-N -1 0 370.413 0.779 50 0 FCAARM CC(C)(C(=O)[O-])c1cnc(N2CCC[C@H](O)C2)nc1N1CCOCC1 ZINC000096151806 132220903 /nfs/dbraw/zinc/22/09/03/132220903.db2.gz XWQQFCJSHZDNHV-LBPRGKRZSA-N -1 0 350.419 0.637 50 0 FCAARM CC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-] ZINC000064590014 136133522 /nfs/dbraw/zinc/13/35/22/136133522.db2.gz BDCXMNWAZLAPOG-UHFFFAOYSA-N -1 0 362.430 0.990 50 0 FCAARM Nc1cc(N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)nc(N)n1 ZINC000072430882 136146923 /nfs/dbraw/zinc/14/69/23/136146923.db2.gz VCAQCXRPSNDIJB-NSHDSACASA-N -1 0 360.418 0.323 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1 ZINC000072432105 136147048 /nfs/dbraw/zinc/14/70/48/136147048.db2.gz SHKSGOPADPEQNC-UHFFFAOYSA-N -1 0 358.402 0.764 50 0 FCAARM Cc1ccc(N2CC[C@H]3N(S(C)(=O)=O)CCC[C@]3(C(=O)[O-])C2)nn1 ZINC000072440373 136147651 /nfs/dbraw/zinc/14/76/51/136147651.db2.gz MLKMCYVPPJHTNL-DOMZBBRYSA-N -1 0 354.432 0.490 50 0 FCAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)NCC(=O)[O-])ccc12 ZINC000001891589 487470033 /nfs/dbraw/zinc/47/00/33/487470033.db2.gz YDFZBUVZZZFHOD-JTQLQIEISA-N -1 0 362.338 0.186 50 0 biogenic FCAARM CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)[O-] ZINC000002140498 487470214 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0 355.391 0.829 50 0 FCAARM COCCN(CC(=O)[O-])C(=O)c1nccnc1C(=O)N1CCCCC1 ZINC000299771592 488872904 /nfs/dbraw/zinc/87/29/04/488872904.db2.gz URZMZLDIETXODR-UHFFFAOYSA-N -1 0 350.375 0.276 50 0 FCAARM CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013077211 487561857 /nfs/dbraw/zinc/56/18/57/487561857.db2.gz PULWISXYGCTQEK-UHFFFAOYSA-N -1 0 365.205 0.514 50 0 FCAARM NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013028708 487561998 /nfs/dbraw/zinc/56/19/98/487561998.db2.gz VHJVVMVPEWHQJG-UHFFFAOYSA-N -1 0 370.408 0.762 50 0 FCAARM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000014118713 487569508 /nfs/dbraw/zinc/56/95/08/487569508.db2.gz QDBIAYALPPTWLP-BXUZGUMPSA-N -1 0 372.443 0.589 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCC(=O)[O-])CC2)cc1 ZINC000017076289 487596229 /nfs/dbraw/zinc/59/62/29/487596229.db2.gz AVAQRAPKSMVWIR-UHFFFAOYSA-N -1 0 372.468 0.646 50 0 FCAARM CC(NN1CCN(C)CC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020332540 487609811 /nfs/dbraw/zinc/60/98/11/487609811.db2.gz WGWGMTKNKCCSSW-SQFISAMPSA-N -1 0 357.414 0.808 50 0 FCAARM CCc1nc(-c2nn(-c3ccc(C)cc3)c(=O)n(CC(=O)[O-])c2=O)no1 ZINC000021365188 487614814 /nfs/dbraw/zinc/61/48/14/487614814.db2.gz WJEMUNFNQRGQGR-UHFFFAOYSA-N -1 0 357.326 0.400 50 0 FCAARM O=C([O-])CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000035126669 487796085 /nfs/dbraw/zinc/79/60/85/487796085.db2.gz FVKWXVBBMWPZEL-UHFFFAOYSA-N -1 0 363.233 0.840 50 0 FCAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)[O-])CC2)cc1 ZINC000065365913 488316908 /nfs/dbraw/zinc/31/69/08/488316908.db2.gz MNHXDDYWQNXWBX-LLVKDONJSA-N -1 0 370.427 0.685 50 0 FCAARM C[C@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1n[nH]c(=O)[n-]1 ZINC000067588840 488353466 /nfs/dbraw/zinc/35/34/66/488353466.db2.gz JTAFOIRJTVDMLB-QMMMGPOBSA-N -1 0 373.325 0.885 50 0 FCAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067787183 488355934 /nfs/dbraw/zinc/35/59/34/488355934.db2.gz OTXYKZMBXLXPFD-UHFFFAOYSA-N -1 0 367.365 0.829 50 0 FCAARM O=C([O-])c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@H]1CCOC1)CC2 ZINC000067935326 488358389 /nfs/dbraw/zinc/35/83/89/488358389.db2.gz XDNNTVNTTLPWLG-LBPRGKRZSA-N -1 0 356.382 0.946 50 0 FCAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000071285172 488377001 /nfs/dbraw/zinc/37/70/01/488377001.db2.gz RRWHGQOEOMMRNL-ADEWGFFLSA-N -1 0 355.416 0.846 50 0 FCAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-c3cncnc3)c2)CC1 ZINC000071751837 488377272 /nfs/dbraw/zinc/37/72/72/488377272.db2.gz YTNRQSQMSQXKTR-UHFFFAOYSA-N -1 0 362.411 0.778 50 0 FCAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN[C@H](C(=O)[O-])C1 ZINC000071771515 488377351 /nfs/dbraw/zinc/37/73/51/488377351.db2.gz OSARIHWFUQBJFH-AWEZNQCLSA-N -1 0 364.427 0.536 50 0 FCAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000072129127 488377779 /nfs/dbraw/zinc/37/77/79/488377779.db2.gz QEYIVFILWVQFRH-UHFFFAOYSA-N -1 0 369.337 0.609 50 0 FCAARM CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3sc(NC)nc3C)C[C@H]2C1=O ZINC000072410805 488380106 /nfs/dbraw/zinc/38/01/06/488380106.db2.gz YBAVHOOGVZNVEQ-BJOHPYRUSA-N -1 0 352.416 0.498 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000072423682 488380411 /nfs/dbraw/zinc/38/04/11/488380411.db2.gz NBLXSAPGIXOMPL-UHFFFAOYSA-N -1 0 350.400 0.851 50 0 FCAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(S(=O)(=O)c1cc3ccccc3o1)C2 ZINC000072435721 488380979 /nfs/dbraw/zinc/38/09/79/488380979.db2.gz VAYHBMKNRHYNKD-ZUZCIYMTSA-N -1 0 350.352 0.254 50 0 FCAARM CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1nnn[n-]1 ZINC000075107564 488395534 /nfs/dbraw/zinc/39/55/34/488395534.db2.gz RJZSVYMEFYMVSV-WCQYABFASA-N -1 0 356.390 0.277 50 0 FCAARM CCc1nccn1CCC(=O)N1CCC2(CN(CC(=O)[O-])C(=O)O2)CC1 ZINC000077407931 488412586 /nfs/dbraw/zinc/41/25/86/488412586.db2.gz HRBORZCUAWAXHM-UHFFFAOYSA-N -1 0 364.402 0.734 50 0 FCAARM CCc1nc(CN2CCN(CC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)cs1 ZINC000077393194 488412741 /nfs/dbraw/zinc/41/27/41/488412741.db2.gz GOKRZRGPBYLBSB-NWDGAFQWSA-N -1 0 359.473 0.073 50 0 FCAARM COC[C@@H]1[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)[C@@H]2CCO[C@H]12 ZINC000223082717 488447713 /nfs/dbraw/zinc/44/77/13/488447713.db2.gz WXMQBFVOZAEOJN-JLUCKKNBSA-N -1 0 371.411 0.722 50 0 FCAARM Cc1c(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cnc2cc(=O)[n-]n21 ZINC000223472822 488448401 /nfs/dbraw/zinc/44/84/01/488448401.db2.gz PBCDEHMSJBQKLO-PKWAYOAASA-N -1 0 356.386 0.307 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000268975977 488460039 /nfs/dbraw/zinc/46/00/39/488460039.db2.gz KBZVJACYFMPDMX-SNVBAGLBSA-N -1 0 367.301 0.906 50 0 FCAARM CN(c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1)S(C)(=O)=O ZINC000244584404 488460878 /nfs/dbraw/zinc/46/08/78/488460878.db2.gz CYSIJSWRKZCLKA-ZDUSSCGKSA-N -1 0 356.400 0.398 50 0 FCAARM Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000091452690 488464137 /nfs/dbraw/zinc/46/41/37/488464137.db2.gz VGKDCIVQTJCSEN-GFCCVEGCSA-N -1 0 352.412 0.739 50 0 FCAARM Cc1ccccc1[C@@H]1CN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)C[C@H]1C(=O)[O-] ZINC000091651358 488467308 /nfs/dbraw/zinc/46/73/08/488467308.db2.gz HNTXJYVJLZEJEP-LSDHHAIUSA-N -1 0 371.393 0.251 50 0 FCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(N)nc2C)C1 ZINC000091769171 488469646 /nfs/dbraw/zinc/46/96/46/488469646.db2.gz FPULGPOMMHOXAV-KRWDZBQOSA-N -1 0 350.419 0.948 50 0 FCAARM CN(C)S(=O)(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097078201 488491954 /nfs/dbraw/zinc/49/19/54/488491954.db2.gz RSROCDLLHZJLDU-UHFFFAOYSA-N -1 0 373.438 0.854 50 0 FCAARM CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000252617670 488519149 /nfs/dbraw/zinc/51/91/49/488519149.db2.gz KXZUZXSDLLAKJW-KYZVSKTDSA-N -1 0 357.318 0.761 50 0 FCAARM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C(=O)[O-])nc3)C2=O)n(C)n1 ZINC000262803473 488594653 /nfs/dbraw/zinc/59/46/53/488594653.db2.gz OLMAHXKFOIUEJR-GFCCVEGCSA-N -1 0 357.370 0.747 50 0 FCAARM Cc1cc(=NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159168 489266943 /nfs/dbraw/zinc/26/69/43/489266943.db2.gz KGGFLHRLQUOSRJ-USWWRNFRSA-N -1 0 355.416 0.268 50 0 FCAARM CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1c(F)cccc1F ZINC000486045120 490586528 /nfs/dbraw/zinc/58/65/28/490586528.db2.gz YTHWEQGOIOBFEF-OLZOCXBDSA-N -1 0 356.325 0.844 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 ZINC000583650553 491849313 /nfs/dbraw/zinc/84/93/13/491849313.db2.gz HZDOWWDUKASIEG-SNVBAGLBSA-N -1 0 367.301 0.906 50 0 FCAARM Cn1c([O-])c(C2NC(=O)N=C2c2ccc3c(c2)CCO3)c(=O)n(C)c1=O ZINC000604404312 492060259 /nfs/dbraw/zinc/06/02/59/492060259.db2.gz BZBSHPPFTFKJEE-UHFFFAOYSA-N -1 0 356.338 0.851 50 0 biogenic FCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)CCO1 ZINC000653279678 493088772 /nfs/dbraw/zinc/08/87/72/493088772.db2.gz ZTUMFNPLSJQMFC-ZWKOTPCHSA-N -1 0 374.437 0.952 50 0 FCAARM COc1ccccc1C(=O)N1CCO[C@@H](CN(CC(=O)[O-])C(C)=O)C1 ZINC000681942795 493254323 /nfs/dbraw/zinc/25/43/23/493254323.db2.gz QEJGCRLZIDLABU-CYBMUJFWSA-N -1 0 350.371 0.469 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CCO1 ZINC000681943205 493254932 /nfs/dbraw/zinc/25/49/32/493254932.db2.gz UMHCJNDIPVTUHW-SFHVURJKSA-N -1 0 374.437 0.878 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000681944068 493255498 /nfs/dbraw/zinc/25/54/98/493255498.db2.gz SCGWAKJFPFLNDK-KRWDZBQOSA-N -1 0 360.410 0.949 50 0 FCAARM Cc1ccc(-n2ncc3c2ncn([C@H]2CCN(CC(=O)[O-])C2=O)c3=O)cc1 ZINC000663219014 493577678 /nfs/dbraw/zinc/57/76/78/493577678.db2.gz GLOCHPRQYMRXCE-AWEZNQCLSA-N -1 0 367.365 0.749 50 0 FCAARM NC(=O)c1cc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)nn1-c1ccccc1 ZINC000677047797 493582997 /nfs/dbraw/zinc/58/29/97/493582997.db2.gz KZQYDQDLCMYGQI-NSHDSACASA-N -1 0 366.385 0.504 50 0 FCAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000409415700 533824150 /nfs/dbraw/zinc/82/41/50/533824150.db2.gz 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COc1cccc(CN2C[C@H](C(=O)NCCc3n[nH]c(=O)[n-]3)CCC2=O)c1 ZINC000091476433 525957867 /nfs/dbraw/zinc/95/78/67/525957867.db2.gz AORHVBBOIRFWHW-CYBMUJFWSA-N -1 0 373.413 0.204 50 0 FCAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(c3cncc(C(N)=O)n3)CC2)n1 ZINC000072421571 535376650 /nfs/dbraw/zinc/37/66/50/535376650.db2.gz IIQCEQHFVWBVEG-UHFFFAOYSA-N -1 0 358.402 0.976 50 0 FCAARM CC1(C)S[C@@H]([C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C(=O)[O-])N[C@H]1C(=O)[O-] ZINC000034064296 546881094 /nfs/dbraw/zinc/88/10/94/546881094.db2.gz KDAWOPKDXRJNHV-BLFANLJRSA-N -1 0 367.427 0.150 50 0 in-vitro FCAARM CCCN1C(=O)N[C@@H](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1=O ZINC000222684956 568553441 /nfs/dbraw/zinc/55/34/41/568553441.db2.gz XZNLAGJCJYDWDM-LBPRGKRZSA-N -1 0 357.374 0.203 50 0 FCAARM CNS(=O)(=O)c1cc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1OC ZINC000328590427 664195387 /nfs/dbraw/zinc/19/53/87/664195387.db2.gz MZYNLLRSHLLFAP-FVOPLDGLSA-N -1 0 368.411 0.550 50 0 FCAARM CCC1(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC000888102164 664833552 /nfs/dbraw/zinc/83/35/52/664833552.db2.gz KPBZCNMFWGCLIZ-CYBMUJFWSA-N -1 0 373.475 0.793 50 0 FCAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)nn1 ZINC000067909399 1216709406 /nfs/dbraw/zinc/70/94/06/1216709406.db2.gz CFQBEKHHWCQRJQ-LLVKDONJSA-N -1 0 371.397 0.706 50 0 FCAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 ZINC000067908781 1216709676 /nfs/dbraw/zinc/70/96/76/1216709676.db2.gz OEIOUMNPKXOSSN-NSHDSACASA-N -1 0 360.414 0.794 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)Cc3cnc(C)[nH]c3=O)CC2)c1 ZINC000072432490 1219331852 /nfs/dbraw/zinc/33/18/52/1219331852.db2.gz OOUARBIWQSDGAO-UHFFFAOYSA-N -1 0 359.386 0.228 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCN(CCOc2ccccc2)CC1 ZINC001506402427 1264318644 /nfs/dbraw/zinc/31/86/44/1264318644.db2.gz YCYXVSBEOQQHRK-UHFFFAOYSA-N -1 0 358.398 0.654 50 0 FCAARM CC(C)Cc1nc(CN(C)S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)no1 ZINC001506399832 1264318914 /nfs/dbraw/zinc/31/89/14/1264318914.db2.gz JRUZHLWEBAGNMW-LLVKDONJSA-N -1 0 360.436 0.741 50 0 FCAARM CCS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2cc(OC)ccc2OC)CC1 ZINC001506420630 1264319512 /nfs/dbraw/zinc/31/95/12/1264319512.db2.gz NSOFQIKQZAWHAN-HNNXBMFYSA-N -1 0 372.443 0.797 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000606440989 836091933 /nfs/dbraw/zinc/09/19/33/836091933.db2.gz CZRKBTLSQYCZCR-SBSDFTTDSA-N -1 0 352.412 0.931 50 0 FCAARM Cc1cc(N)n(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)n1 ZINC000219977580 209698745 /nfs/dbraw/zinc/69/87/45/209698745.db2.gz YYHOSTQPRHFCCL-HUUCEWRRSA-N -1 0 374.397 0.825 50 0 FCAARM CCOc1ccc(Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)[O-])cc1 ZINC000011693946 209560953 /nfs/dbraw/zinc/56/09/53/209560953.db2.gz VYIRVCADKCCBON-UHFFFAOYSA-N -1 0 359.342 0.650 50 0 FCAARM Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc2c1CCN2S(C)(=O)=O ZINC000367504481 216131418 /nfs/dbraw/zinc/13/14/18/216131418.db2.gz DVGMIPSAHGXWTE-UHFFFAOYSA-N -1 0 370.456 0.851 50 0 FCAARM CC(C)[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)[O-] ZINC000245380257 209365417 /nfs/dbraw/zinc/36/54/17/209365417.db2.gz VBVNAGGXPWGYAJ-AFJGUQMISA-N -1 0 373.402 0.608 50 0 FCAARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901882 209230937 /nfs/dbraw/zinc/23/09/37/209230937.db2.gz ATNBLVMFUGCYEI-ZFWWWQNUSA-N -1 0 363.439 0.945 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000100059252 209208426 /nfs/dbraw/zinc/20/84/26/209208426.db2.gz JPXLAETUEQVNIJ-UWVGGRQHSA-N -1 0 366.171 0.829 50 0 FCAARM C[C@H](NS(C)(=O)=O)c1nc(COc2ccc(F)cc2)nn1CC(=O)[O-] ZINC000097522663 209183525 /nfs/dbraw/zinc/18/35/25/209183525.db2.gz ZELKQPAISVZJSI-VIFPVBQESA-N -1 0 372.378 0.691 50 0 FCAARM COc1cc(OC)cc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000274987874 211943607 /nfs/dbraw/zinc/94/36/07/211943607.db2.gz MJKURMTURMZKJP-UHFFFAOYSA-N -1 0 359.400 0.864 50 0 FCAARM CN(C)C(=O)c1cncc(N2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)n1 ZINC000299778996 206644420 /nfs/dbraw/zinc/64/44/20/206644420.db2.gz QAVHLVJEJHFXLL-WDEREUQCSA-N -1 0 359.390 0.002 50 0 FCAARM CO[C@]12CCN(C(=O)Cn3cc(C)cn3)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299802735 206657905 /nfs/dbraw/zinc/65/79/05/206657905.db2.gz ODLAGYMOAYVQOA-JKIFEVAISA-N -1 0 351.403 0.831 50 0 FCAARM COc1nc(N(C)C)nc(N(C)N=c2nc(N(C)C)nc(Cl)[n-]2)n1 ZINC000000712470 206826724 /nfs/dbraw/zinc/82/67/24/206826724.db2.gz LNATVWDAVZPFHM-UHFFFAOYSA-N -1 0 354.806 0.314 50 0 FCAARM O=C([O-])CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000006759138 207160939 /nfs/dbraw/zinc/16/09/39/207160939.db2.gz LKAHZPFTLUAHIX-UHFFFAOYSA-N -1 0 358.391 0.817 50 0 FCAARM Cc1ccc(CNC(=O)CN2[N-]S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000007988413 207214200 /nfs/dbraw/zinc/21/42/00/207214200.db2.gz VFLSYPPXWQJHGF-UHFFFAOYSA-N -1 0 359.407 0.961 50 0 FCAARM O=C([O-])C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009318600 207266379 /nfs/dbraw/zinc/26/63/79/207266379.db2.gz WZBQHEKUCDILPC-UHFFFAOYSA-N -1 0 359.382 0.697 50 0 FCAARM CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-] ZINC000011693970 207317745 /nfs/dbraw/zinc/31/77/45/207317745.db2.gz AZHUMTSUIPTCBR-UHFFFAOYSA-N -1 0 357.370 0.155 50 0 FCAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000012901873 207434270 /nfs/dbraw/zinc/43/42/70/207434270.db2.gz GANCLALWWJAUSE-JTQLQIEISA-N -1 0 362.338 0.186 50 0 biogenic FCAARM CC1(C)S[C@H]([C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C(=O)[O-])N[C@H]1C(=O)[O-] ZINC000034064298 208102437 /nfs/dbraw/zinc/10/24/37/208102437.db2.gz KDAWOPKDXRJNHV-MPPDQPJWSA-N -1 0 367.427 0.150 50 0 in-vitro FCAARM CC(=O)c1cn(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c2ccccc12 ZINC000036369878 208159983 /nfs/dbraw/zinc/15/99/83/208159983.db2.gz RGHVFRATSNVCPV-CQSZACIVSA-N -1 0 374.397 0.862 50 0 biogenic FCAARM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000075166037 208194140 /nfs/dbraw/zinc/19/41/40/208194140.db2.gz PCSQPYYDYUYHFG-UHFFFAOYSA-N -1 0 360.392 0.349 50 0 FCAARM Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1C(N)=O ZINC000040072760 208223008 /nfs/dbraw/zinc/22/30/08/208223008.db2.gz PEVISWNZGNIKJT-UHFFFAOYSA-N -1 0 364.383 0.881 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1 ZINC000299741005 208335904 /nfs/dbraw/zinc/33/59/04/208335904.db2.gz CSYSSXYYQULGEU-KBPBESRZSA-N -1 0 354.428 0.990 50 0 FCAARM CS(=O)(=O)c1ccccc1-n1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cn1 ZINC000299743320 208338946 /nfs/dbraw/zinc/33/89/46/208338946.db2.gz KHDYJNRFBOJINH-ZDUSSCGKSA-N -1 0 363.395 0.965 50 0 FCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000299748546 208343746 /nfs/dbraw/zinc/34/37/46/208343746.db2.gz HKNLVEWNUIQQMQ-ZANVPECISA-N -1 0 354.309 0.630 50 0 FCAARM NC(=O)Cc1ccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000299751317 208358974 /nfs/dbraw/zinc/35/89/74/208358974.db2.gz QHZKSSRMJRQTIN-UHFFFAOYSA-N -1 0 350.371 0.185 50 0 FCAARM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299751683 208359115 /nfs/dbraw/zinc/35/91/15/208359115.db2.gz RHIRJTJAQIWGMF-LHAXHYPGSA-N -1 0 363.414 0.951 50 0 FCAARM Cn1ncc2c1ncn(CC(=O)N1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)c2=O ZINC000299753873 208362906 /nfs/dbraw/zinc/36/29/06/208362906.db2.gz ZPKODMGAFVNKJZ-DRZSPHRISA-N -1 0 359.386 0.374 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)c2ccc(F)cc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091548238 208981057 /nfs/dbraw/zinc/98/10/57/208981057.db2.gz KORSQTSTBLZUIC-KGLIPLIRSA-N -1 0 370.402 0.224 50 0 FCAARM CC(=O)NCCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091829516 208999320 /nfs/dbraw/zinc/99/93/20/208999320.db2.gz OMWUQCJGWGZILP-UONOGXRCSA-N -1 0 362.382 0.958 50 0 FCAARM COc1ccccc1CN1C[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)CCC1=O ZINC000092001676 209010851 /nfs/dbraw/zinc/01/08/51/209010851.db2.gz QKAYQNOTWXTZFW-LBPRGKRZSA-N -1 0 359.386 0.162 50 0 FCAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000095950870 209089432 /nfs/dbraw/zinc/08/94/32/209089432.db2.gz HDQUREVYHNFOTA-UHFFFAOYSA-N 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Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000020615009 207748812 /nfs/dbraw/zinc/74/88/12/207748812.db2.gz KZDLMPLWHOKQDZ-UHFFFAOYSA-N -1 0 360.345 0.856 50 0 FCAARM CCO[N-]C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000032902775 208053918 /nfs/dbraw/zinc/05/39/18/208053918.db2.gz GFQLZGMCPJUEFM-UHFFFAOYSA-N -1 0 357.432 0.515 50 0 FCAARM Cn1nc(C(=O)N2CCC(C(=O)[O-])CC2)c2c1CCN(C(=O)C1CC1)C2 ZINC000034927233 208117996 /nfs/dbraw/zinc/11/79/96/208117996.db2.gz JQDQADZRDNSNDI-UHFFFAOYSA-N -1 0 360.414 0.652 50 0 FCAARM CC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000299742315 208337143 /nfs/dbraw/zinc/33/71/43/208337143.db2.gz BCNPZLFUYJGHEN-CQSZACIVSA-N -1 0 352.412 0.730 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000299741674 208337786 /nfs/dbraw/zinc/33/77/86/208337786.db2.gz ACWSGZFWUMMSNT-NOZJJQNGSA-N -1 0 354.309 0.630 50 0 FCAARM Cc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)sc2ncn(C)c(=O)c12 ZINC000299741710 208338899 /nfs/dbraw/zinc/33/88/99/208338899.db2.gz AHHJDDPNDGIUAT-SECBINFHSA-N -1 0 351.384 0.619 50 0 FCAARM CCOc1ccccc1N1C[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1=O ZINC000299746909 208339960 /nfs/dbraw/zinc/33/99/60/208339960.db2.gz BPGVOBOZIRRJIV-IUODEOHRSA-N -1 0 362.382 0.750 50 0 FCAARM COc1ccc(CNC(=O)CCN2CCCS2(=O)=O)cc1C(=O)[O-] ZINC000299744880 208340352 /nfs/dbraw/zinc/34/03/52/208340352.db2.gz VFIKZLILIBUNLF-UHFFFAOYSA-N -1 0 356.400 0.435 50 0 FCAARM COc1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000299746157 208342117 /nfs/dbraw/zinc/34/21/17/208342117.db2.gz VSHFGRVZSUWUJE-GFCCVEGCSA-N -1 0 370.427 0.681 50 0 FCAARM CS(=O)(=O)N1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000299740978 208326770 /nfs/dbraw/zinc/32/67/70/208326770.db2.gz CNNMNMKFFVWQJK-RDBSUJKOSA-N -1 0 358.460 0.902 50 0 FCAARM CC(C)n1cc(Br)cc1C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000096013336 209096479 /nfs/dbraw/zinc/09/64/79/209096479.db2.gz NENVYHBWONHJIU-UHFFFAOYSA-N -1 0 352.210 0.376 50 0 FCAARM Cc1nc(N)nc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c1Cl ZINC000095378186 132209514 /nfs/dbraw/zinc/20/95/14/132209514.db2.gz JBAPYGAJRJNRSD-SECBINFHSA-N -1 0 353.810 0.923 50 0 FCAARM O=C([O-])C1(n2ccnc2)CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC000072429070 136146792 /nfs/dbraw/zinc/14/67/92/136146792.db2.gz MCVRDWHIZOPMII-ZDUSSCGKSA-N -1 0 358.402 0.324 50 0 FCAARM O=C([O-])C1(n2ccnc2)CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 ZINC000072429071 136146799 /nfs/dbraw/zinc/14/67/99/136146799.db2.gz MCVRDWHIZOPMII-CYBMUJFWSA-N -1 0 358.402 0.324 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530584 487470120 /nfs/dbraw/zinc/47/01/20/487470120.db2.gz BOEGTKLJZSQCCD-PGUXBMHVSA-N -1 0 363.395 0.151 50 0 world FCAARM CSCC[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000002432073 487470283 /nfs/dbraw/zinc/47/02/83/487470283.db2.gz JQFJROFRZDQCDV-NSHDSACASA-N -1 0 361.445 0.340 50 0 FCAARM CCn1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c(C)n1 ZINC000002782908 487470477 /nfs/dbraw/zinc/47/04/77/487470477.db2.gz IJOXKHNJMVSZKD-YGRLFVJLSA-N -1 0 350.400 0.584 50 0 FCAARM Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000004031732 487473445 /nfs/dbraw/zinc/47/34/45/487473445.db2.gz NDWMSAIEXHDKQD-UHFFFAOYSA-N -1 0 355.354 0.441 50 0 FCAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003893679 487473540 /nfs/dbraw/zinc/47/35/40/487473540.db2.gz MDZSABYRLMBSCJ-ITKZLYELSA-N -1 0 359.425 0.558 50 0 FCAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000004197142 487474686 /nfs/dbraw/zinc/47/46/86/487474686.db2.gz FDPWBZONXWFONB-OCCSQVGLSA-N -1 0 370.427 0.377 50 0 FCAARM Cn1c2nc(NCC(=O)[O-])n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000004649723 487480340 /nfs/dbraw/zinc/48/03/40/487480340.db2.gz XGAQNTZBYXOVHZ-UHFFFAOYSA-N -1 0 357.370 0.173 50 0 FCAARM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000008329207 487516439 /nfs/dbraw/zinc/51/64/39/487516439.db2.gz RQUOJYKFYLJFIX-PSASIEDQSA-N -1 0 350.190 0.658 50 0 FCAARM CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000008429411 487517798 /nfs/dbraw/zinc/51/77/98/487517798.db2.gz YBRLWUJWCNIKSB-GFCCVEGCSA-N -1 0 360.457 0.873 50 0 FCAARM O=C([O-])CCCNC(=O)NCC1=N[C@H]2C(=CNN2c2ccccc2)C(=O)N1 ZINC000013689727 487566236 /nfs/dbraw/zinc/56/62/36/487566236.db2.gz HVWJCHWXPLEGOA-SWLSCSKDSA-N -1 0 372.385 0.127 50 0 FCAARM CC(=O)N(C)[C@H]1CCN(C(=O)CSc2nn3c([n-]2)nc(C)cc3=O)C1 ZINC000055393637 488243017 /nfs/dbraw/zinc/24/30/17/488243017.db2.gz ZSBZRVAZENJIFW-NSHDSACASA-N -1 0 364.431 0.310 50 0 FCAARM O=c1[n-]c(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n[nH]1 ZINC000067772676 488355909 /nfs/dbraw/zinc/35/59/09/488355909.db2.gz FBFGBUUQCNWTTG-GOSISDBHSA-N -1 0 359.430 0.174 50 0 FCAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)nn1 ZINC000067842106 488356785 /nfs/dbraw/zinc/35/67/85/488356785.db2.gz VDDYXSVPVFZUEH-CYBMUJFWSA-N -1 0 351.407 0.632 50 0 FCAARM Cc1c(C(=O)N2CCc3c(ncnc3N(C)C)C2)cnc2cc(=O)[n-]n21 ZINC000071712103 488377149 /nfs/dbraw/zinc/37/71/49/488377149.db2.gz MGPHVYGILKMVJM-UHFFFAOYSA-N -1 0 353.386 0.386 50 0 FCAARM COc1ccc2cnn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c2c1OC ZINC000071333712 488377199 /nfs/dbraw/zinc/37/71/99/488377199.db2.gz LHMRLTPDKHCOKI-AWEZNQCLSA-N -1 0 363.370 0.639 50 0 FCAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)CCn1cccn1)CC2 ZINC000072412278 488380166 /nfs/dbraw/zinc/38/01/66/488380166.db2.gz WRFCKDWRSUBGPV-OAHLLOKOSA-N -1 0 374.441 0.978 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCCN(CC[C@@H]1CCS(=O)(=O)C1)C2 ZINC000072435594 488380926 /nfs/dbraw/zinc/38/09/26/488380926.db2.gz PTYBFHDTHFOMQG-CYBMUJFWSA-N -1 0 355.460 0.931 50 0 FCAARM Cc1cnc2c(C(=O)N3CCC(C(=O)[O-])(n4ccnc4)CC3)cnn2c1 ZINC000072434393 488381070 /nfs/dbraw/zinc/38/10/70/488381070.db2.gz JBZIPLSGBLTVAF-UHFFFAOYSA-N -1 0 354.370 0.950 50 0 FCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCNC(=O)c1ccccc1F ZINC000072473558 488381598 /nfs/dbraw/zinc/38/15/98/488381598.db2.gz NHYHTMBOIIAILR-HNNXBMFYSA-N -1 0 360.345 0.879 50 0 FCAARM O=C(CCc1cc(=O)[n-]o1)N1CCN(CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077342125 488411356 /nfs/dbraw/zinc/41/13/56/488411356.db2.gz WGUZAPGGUKUSMJ-KGLIPLIRSA-N -1 0 369.443 0.033 50 0 FCAARM CN(C)Cc1nnc(C2CCN(C(=O)CCc3cc(=O)[n-]o3)CC2)n1C ZINC000077428626 488413028 /nfs/dbraw/zinc/41/30/28/488413028.db2.gz FWSFYDANYUKQSN-UHFFFAOYSA-N -1 0 362.434 0.909 50 0 FCAARM CC[C@@H](C)[C@H](NC(=O)CCc1ccc2c(c1)[nH]c(=O)c(=O)n2C)C(=O)[O-] ZINC000218315831 488442879 /nfs/dbraw/zinc/44/28/79/488442879.db2.gz GLSFMMUKXMHICG-BMIGLBTASA-N -1 0 361.398 0.775 50 0 FCAARM Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])sc2[nH]cnc(=O)c12 ZINC000219271048 488443600 /nfs/dbraw/zinc/44/36/00/488443600.db2.gz RTJCOUIQYCCXBF-BDAKNGLRSA-N -1 0 367.383 0.282 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000219055930 488444008 /nfs/dbraw/zinc/44/40/08/488444008.db2.gz SYTLKGXZYCXXCP-CABCVRRESA-N -1 0 359.382 0.096 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cnc2c(F)cccc2c1O ZINC000222990690 488447400 /nfs/dbraw/zinc/44/74/00/488447400.db2.gz PSLNLSDVBSOGCD-CHWSQXEVSA-N -1 0 364.329 0.656 50 0 FCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)ncn2CCO ZINC000223066049 488448086 /nfs/dbraw/zinc/44/80/86/488448086.db2.gz NGBRAMQBGJEIFL-HIFRSBDPSA-N -1 0 363.370 0.017 50 0 FCAARM NS(=O)(=O)CCCC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000091452635 488464275 /nfs/dbraw/zinc/46/42/75/488464275.db2.gz MLWVPXHTIWHQIR-CYBMUJFWSA-N -1 0 354.428 0.845 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)CCC(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091724537 488468679 /nfs/dbraw/zinc/46/86/79/488468679.db2.gz GONYVIZXVHYLTB-ZJUUUORDSA-N -1 0 372.365 0.113 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)CC2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091746179 488469032 /nfs/dbraw/zinc/46/90/32/488469032.db2.gz PMJKSOPMRNMTSA-CABCVRRESA-N -1 0 372.487 0.741 50 0 FCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000262156530 488554444 /nfs/dbraw/zinc/55/44/44/488554444.db2.gz RXFHTLRKEILSNT-LBPRGKRZSA-N -1 0 369.395 0.697 50 0 FCAARM Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262928095 488599590 /nfs/dbraw/zinc/59/95/90/488599590.db2.gz FXWPNHQFTGSNGY-HNNXBMFYSA-N -1 0 373.413 0.750 50 0 FCAARM C[C@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[S@](C)=O ZINC000154881235 488747920 /nfs/dbraw/zinc/74/79/20/488747920.db2.gz OMAUEDAELWAITL-DJNLSKAYSA-N -1 0 353.469 0.959 50 0 FCAARM C[C@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[S@@](C)=O ZINC000154881463 488748082 /nfs/dbraw/zinc/74/80/82/488748082.db2.gz OMAUEDAELWAITL-WYVULQQZSA-N -1 0 353.469 0.959 50 0 FCAARM C[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[S@](C)=O ZINC000154881138 488748346 /nfs/dbraw/zinc/74/83/46/488748346.db2.gz OMAUEDAELWAITL-SDWAUSNYSA-N -1 0 353.469 0.959 50 0 FCAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[S@](=O)C3)cc2[n-]c1=S ZINC000170651688 488814532 /nfs/dbraw/zinc/81/45/32/488814532.db2.gz JWQUKFIDNRKWFD-WYVULQQZSA-N -1 0 351.453 0.956 50 0 FCAARM 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ILIIKVKSTXEGNE-UHFFFAOYSA-N -1 0 358.416 0.733 50 0 FCAARM Cc1ccc(-c2cc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])[nH]n2)o1 ZINC000095511756 209069491 /nfs/dbraw/zinc/06/94/91/209069491.db2.gz CUGWJRFXAJBMSY-SECBINFHSA-N -1 0 355.372 0.596 50 0 FCAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCCN3c1ccc(F)cc1 ZINC000005251895 132827529 /nfs/dbraw/zinc/82/75/29/132827529.db2.gz ZFLHYOGBRBYURO-UHFFFAOYSA-N -1 0 373.344 0.662 50 0 FCAARM CCCn1ncc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)[O-])c1C ZINC000071764148 136140622 /nfs/dbraw/zinc/14/06/22/136140622.db2.gz PSLPOTDAAKEGSD-AWEZNQCLSA-N -1 0 358.402 0.807 50 0 FCAARM CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000003019416 487470537 /nfs/dbraw/zinc/47/05/37/487470537.db2.gz LNZBDNDBFAPWTN-UHFFFAOYSA-N -1 0 360.363 0.987 50 0 FCAARM C[C@]1([N-]C(=S)SCC2=CCS(=O)(=O)C2)CCS(=O)(=O)C1 ZINC000003156869 487470631 /nfs/dbraw/zinc/47/06/31/487470631.db2.gz QULTXTXLIUCNOX-NSHDSACASA-N -1 0 355.528 0.526 50 0 FCAARM CNc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](N)[C@H]3SC2)s1 ZINC000003151496 487470721 /nfs/dbraw/zinc/47/07/21/487470721.db2.gz SMMCOWGSFHSCMY-SVGQVSJJSA-N -1 0 359.458 0.253 50 0 biogenic FCAARM C[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000003648064 487472255 /nfs/dbraw/zinc/47/22/55/487472255.db2.gz NBTXEKZBUPKFTC-GHMZBOCLSA-N -1 0 351.359 0.007 50 0 FCAARM C[C@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000004085256 487473415 /nfs/dbraw/zinc/47/34/15/487473415.db2.gz LZBURFZSWMUWSF-VCJARVCASA-N -1 0 364.423 0.985 50 0 biogenic FCAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)NCC(=O)[O-])n2C ZINC000004000429 487473893 /nfs/dbraw/zinc/47/38/93/487473893.db2.gz WYIHNMXHMMSMSD-VIFPVBQESA-N -1 0 363.370 0.515 50 0 biogenic FCAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-] ZINC000004792333 487482140 /nfs/dbraw/zinc/48/21/40/487482140.db2.gz DKELFLARPWDJMF-HNNXBMFYSA-N -1 0 365.386 0.254 50 0 FCAARM C[C@@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC(=O)[O-])c3=O ZINC000004370755 487477572 /nfs/dbraw/zinc/47/75/72/487477572.db2.gz WTWUVIQXSBJUJY-NSHDSACASA-N -1 0 369.381 0.769 50 0 FCAARM CO[C@]12CCN(C(=O)Cn3ccnc3C)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299801541 488875026 /nfs/dbraw/zinc/87/50/26/488875026.db2.gz YKDIZXNWYAQXBI-JKIFEVAISA-N -1 0 351.403 0.831 50 0 FCAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCC(=O)[O-] ZINC000012889925 487559776 /nfs/dbraw/zinc/55/97/76/487559776.db2.gz YADRWJIIAAQRHW-BMIGLBTASA-N -1 0 362.386 0.770 50 0 biogenic FCAARM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000013028262 487561631 /nfs/dbraw/zinc/56/16/31/487561631.db2.gz RQUOJYKFYLJFIX-SCZZXKLOSA-N -1 0 350.190 0.658 50 0 FCAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C)c1 ZINC000015670701 487583500 /nfs/dbraw/zinc/58/35/00/487583500.db2.gz BDVYAKYTDOMOSN-CYBMUJFWSA-N -1 0 374.397 0.588 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2 ZINC000017779504 487599221 /nfs/dbraw/zinc/59/92/21/487599221.db2.gz JKNBQCGXSBPIGB-MNOVXSKESA-N -1 0 351.746 0.729 50 0 FCAARM CCOc1ccc(Cc2n[n-]c(NCCN3CCOCC3)nc2=O)cc1 ZINC000022996391 487628587 /nfs/dbraw/zinc/62/85/87/487628587.db2.gz JZPUVERVMNUHBE-UHFFFAOYSA-N -1 0 359.430 0.899 50 0 FCAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000055386074 488243012 /nfs/dbraw/zinc/24/30/12/488243012.db2.gz BNENFTZFWPRMAS-HNNXBMFYSA-N -1 0 355.358 0.799 50 0 FCAARM COC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2oc1=O ZINC000064818659 488314898 /nfs/dbraw/zinc/31/48/98/488314898.db2.gz NDYLDQISSZOWQO-UHFFFAOYSA-N -1 0 363.351 0.963 50 0 FCAARM Cn1ccnc1CN1C[C@H](C(=O)NCc2ccccn2)C[C@H](C(=O)[O-])C1 ZINC000072121895 488377727 /nfs/dbraw/zinc/37/77/27/488377727.db2.gz YCLUGAGNPWVHJK-KGLIPLIRSA-N -1 0 357.414 0.654 50 0 FCAARM Cc1ccc(OC2(C(=O)[O-])CCN(S(=O)(=O)N(C)C)CC2)c(C)n1 ZINC000072420533 488380414 /nfs/dbraw/zinc/38/04/14/488380414.db2.gz FWHOMYNLHBLNAH-UHFFFAOYSA-N -1 0 357.432 0.803 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCCCn3nnnc31)C2 ZINC000072447281 488381116 /nfs/dbraw/zinc/38/11/16/488381116.db2.gz HGJAGBRLKKWGDQ-CQSZACIVSA-N -1 0 373.417 0.587 50 0 FCAARM CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cnc(C4CC4)nc3C)C[C@H]2C1=O ZINC000072458022 488381369 /nfs/dbraw/zinc/38/13/69/488381369.db2.gz OJVIYPHUHVRAPC-SCLBCKFNSA-N -1 0 358.398 0.668 50 0 FCAARM Cc1cc(-c2cn3cc(C(=O)NCc4nnn[n-]4)nc3c(=O)n2C)c(C)o1 ZINC000072463428 488381427 /nfs/dbraw/zinc/38/14/27/488381427.db2.gz VASUUWYKEOYLOX-UHFFFAOYSA-N -1 0 368.357 0.353 50 0 FCAARM COc1ccccc1OC1(C(=O)[O-])CCN(C(=O)CNC(N)=O)CC1 ZINC000072478271 488381736 /nfs/dbraw/zinc/38/17/36/488381736.db2.gz XRADJBDXVDCSHS-UHFFFAOYSA-N -1 0 351.359 0.188 50 0 FCAARM CCc1nc(C)ccc1OCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000219391265 488444174 /nfs/dbraw/zinc/44/41/74/488444174.db2.gz ULUJBZTUKHQZAM-UKRRQHHQSA-N -1 0 352.387 0.706 50 0 FCAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CN2CCCC2=O)cc1 ZINC000222338776 488446546 /nfs/dbraw/zinc/44/65/46/488446546.db2.gz RLFBLPCXZIXIBQ-HUUCEWRRSA-N -1 0 362.382 0.660 50 0 FCAARM Cn1c(=O)oc2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)[O-])cc21 ZINC000222917787 488447248 /nfs/dbraw/zinc/44/72/48/488447248.db2.gz MGXWFTVBZSUCGB-ZWNOBZJWSA-N -1 0 350.327 0.120 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 ZINC000223439443 488448419 /nfs/dbraw/zinc/44/84/19/488448419.db2.gz KAZAUIDPZBAKJB-HUUCEWRRSA-N -1 0 368.386 0.100 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000223511601 488448933 /nfs/dbraw/zinc/44/89/33/488448933.db2.gz FAXOXJAPKQZIRH-ZIAGYGMSSA-N -1 0 364.329 0.656 50 0 FCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1coc(CN2CCOCC2)c1 ZINC000223850044 488449404 /nfs/dbraw/zinc/44/94/04/488449404.db2.gz LPTNSOYJTLJHBH-CABCVRRESA-N -1 0 368.386 0.100 50 0 FCAARM CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1 ZINC000225616972 488450670 /nfs/dbraw/zinc/45/06/70/488450670.db2.gz QJULSONDWIWORA-UHFFFAOYSA-N -1 0 359.433 0.303 50 0 FCAARM CC(=O)N[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1C1CC1 ZINC000091462731 488464212 /nfs/dbraw/zinc/46/42/12/488464212.db2.gz FUAHHYYFSIQXOQ-CABCVRRESA-N -1 0 352.412 0.920 50 0 FCAARM COc1cccc([C@@H]2CN(C(=O)CCNS(C)(=O)=O)C[C@H]2C(=O)[O-])c1 ZINC000091586717 488465867 /nfs/dbraw/zinc/46/58/67/488465867.db2.gz SQSFWQFBUORTCH-UONOGXRCSA-N -1 0 370.427 0.261 50 0 FCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1cnc(N3CCCC3)nc1)CC2 ZINC000091849057 488470629 /nfs/dbraw/zinc/47/06/29/488470629.db2.gz MEIBBPDRTVSJQL-CQSZACIVSA-N -1 0 359.430 0.632 50 0 FCAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCC(O)CC2)c1OC ZINC000096298710 488490969 /nfs/dbraw/zinc/49/09/69/488490969.db2.gz NEIXUGVHKHXTMA-ARJAWSKDSA-N -1 0 371.411 0.947 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000101306074 488494502 /nfs/dbraw/zinc/49/45/02/488494502.db2.gz AKOBZUGGULHISJ-WCQYABFASA-N -1 0 363.757 0.979 50 0 FCAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901857 488496722 /nfs/dbraw/zinc/49/67/22/488496722.db2.gz XCQJWLDFLCEWMB-DGCLKSJQSA-N -1 0 353.375 0.468 50 0 FCAARM Cc1cc2ncc(C(=O)N[C@H]3CCCN(Cc4ncc[nH]4)CC3)c(=O)n2[n-]1 ZINC000101866690 488496893 /nfs/dbraw/zinc/49/68/93/488496893.db2.gz IBAWYXJPUGMOJC-ZDUSSCGKSA-N -1 0 369.429 0.839 50 0 FCAARM Cc1nn2c([n-]1)ncc(C(=O)N1CCC(C(=O)N3CCCC3)CC1)c2=O ZINC000102260526 488497074 /nfs/dbraw/zinc/49/70/74/488497074.db2.gz OBFGSGNNVJYQPX-UHFFFAOYSA-N -1 0 358.402 0.201 50 0 FCAARM NS(=O)(=O)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000102232499 488497165 /nfs/dbraw/zinc/49/71/65/488497165.db2.gz RHGFQFAEBFSWOH-ZDUSSCGKSA-N -1 0 359.363 0.578 50 0 FCAARM C[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)[S@@](C)=O ZINC000154881351 488747985 /nfs/dbraw/zinc/74/79/85/488747985.db2.gz OMAUEDAELWAITL-VCGICTTQSA-N -1 0 353.469 0.959 50 0 FCAARM Cc1c2ccc(=O)c(O)c-2oc([O-])c1CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000334158046 489267059 /nfs/dbraw/zinc/26/70/59/489267059.db2.gz LGSWKZFDUKFGON-SECBINFHSA-N -1 0 367.379 0.310 50 0 FCAARM Cc1cc(=NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159166 489267385 /nfs/dbraw/zinc/26/73/85/489267385.db2.gz KGGFLHRLQUOSRJ-ADEWGFFLSA-N -1 0 355.416 0.268 50 0 FCAARM CC(C)Nc1cc(-c2ccc(C(=O)NCc3nnn[n-]3)cc2)nc(N)n1 ZINC000534584515 490385100 /nfs/dbraw/zinc/38/51/00/490385100.db2.gz CRCHOXKVFMZSFJ-UHFFFAOYSA-N -1 0 353.390 0.411 50 0 FCAARM COc1cccc(OC)c1-c1[nH]c(=O)[nH]c1-c1c([O-])n(C)c(=O)n(C)c1=O ZINC000604419041 492060558 /nfs/dbraw/zinc/06/05/58/492060558.db2.gz OLQSBVOHDDASMH-UHFFFAOYSA-N -1 0 374.353 0.934 50 0 FCAARM Cn1c(=O)n(C)c(-c2c([O-])n(C)c(=O)n(C)c2=O)c1-c1ccc(O)cc1 ZINC000604418758 492060659 /nfs/dbraw/zinc/06/06/59/492060659.db2.gz ZECCPYDTQHWEFK-UHFFFAOYSA-N -1 0 358.354 0.230 50 0 FCAARM CC1(C)COC[C@@H]1NC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652096705 492878937 /nfs/dbraw/zinc/87/89/37/492878937.db2.gz NEOWUFNZIGBXOB-AAEUAGOBSA-N -1 0 353.419 0.519 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)CCO1 ZINC000681941933 493253650 /nfs/dbraw/zinc/25/36/50/493253650.db2.gz IYUBKALDHWWNKC-CYBMUJFWSA-N -1 0 364.402 0.072 50 0 FCAARM COc1ccc(-c2nc(CC(=O)NCC(=O)NCC(=O)[O-])cs2)cc1 ZINC000020722648 523197635 /nfs/dbraw/zinc/19/76/35/523197635.db2.gz FCZIJSOKVIWLRZ-UHFFFAOYSA-N -1 0 363.395 0.678 50 0 FCAARM COc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000262963117 524040498 /nfs/dbraw/zinc/04/04/98/524040498.db2.gz KLADPOAQVIUTMS-DZGCQCFKSA-N -1 0 362.382 0.356 50 0 FCAARM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000269124761 525145879 /nfs/dbraw/zinc/14/58/79/525145879.db2.gz WVXDSDIRCFLLJE-CYBMUJFWSA-N -1 0 365.411 0.657 50 0 FCAARM CS(=O)(=O)N1CCc2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc21 ZINC000262693483 525185311 /nfs/dbraw/zinc/18/53/11/525185311.db2.gz AOAFWUZPXMKAHL-CYBMUJFWSA-N -1 0 368.411 0.324 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3sccc32)CCO1 ZINC000262969335 526331957 /nfs/dbraw/zinc/33/19/57/526331957.db2.gz LHVWEZABMJMZGW-NWDGAFQWSA-N -1 0 362.411 0.972 50 0 FCAARM Cc1nc2c(c(N3C[C@@H]4CN(S(C)(=O)=O)C[C@]4(C(=O)[O-])C3)n1)CCC2 ZINC000096162597 527095167 /nfs/dbraw/zinc/09/51/67/527095167.db2.gz PCOYALXOBXFNMH-BDJLRTHQSA-N -1 0 366.443 0.056 50 0 FCAARM Cn1cc(/C=C/C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000268939048 527143856 /nfs/dbraw/zinc/14/38/56/527143856.db2.gz IFOOVXXFQVFUOA-KIUWMYQTSA-N -1 0 369.377 0.135 50 0 FCAARM COc1cccc(/C=C(/C(=O)N2CCO[C@H](C(=O)[O-])C2)n2nnnc2C)c1 ZINC000583650525 599942272 /nfs/dbraw/zinc/94/22/72/599942272.db2.gz BHLBMMKWLYFYPF-MZLJFPOFSA-N -1 0 373.369 0.300 50 0 FCAARM O=C([O-])/C=C/c1ccc(NC(=O)CS(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000095970401 674561552 /nfs/dbraw/zinc/56/15/52/674561552.db2.gz YFYJPPWUIRIZKH-GPAKFWEMSA-N -1 0 368.411 0.821 50 0 FCAARM CCOc1ncccc1C(=O)N1CCCN(C(=O)c2n[nH]c(=O)[n-]2)CC1 ZINC001529197116 1267042994 /nfs/dbraw/zinc/04/29/94/1267042994.db2.gz KXQSERGRGDWRFT-UHFFFAOYSA-N -1 0 360.374 0.292 50 0 FCAARM CCC[N@@H+]1C[C@H]2CN(S(=O)(=O)c3ccsc3C(=O)[O-])C[C@]2(CO)C1 ZINC001772810875 1290901390 /nfs/dbraw/zinc/90/13/90/1290901390.db2.gz QBJIZWKLGIMBOR-NHYWBVRUSA-N -1 0 374.484 0.771 50 0 FCAARM O=S(=O)([N-]CC(F)(F)F)NCc1ccncc1OC[C@H]1CCOC1 ZINC000585083792 836089955 /nfs/dbraw/zinc/08/99/55/836089955.db2.gz PGQUMLZPFWVRFW-JTQLQIEISA-N -1 0 369.365 0.983 50 0 FCAARM COCCCn1cnnc1CNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000824396823 836522425 /nfs/dbraw/zinc/52/24/25/836522425.db2.gz ACJYHNZUTKPGPV-UHFFFAOYSA-N -1 0 360.417 0.553 50 0 FCAARM CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000002134989 209393158 /nfs/dbraw/zinc/39/31/58/209393158.db2.gz VGVCTAXLJZOGTJ-KGLIPLIRSA-N -1 0 359.382 0.963 50 0 FCAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C)c2[O-])=NN1C(C)=O ZINC000101766014 209230233 /nfs/dbraw/zinc/23/02/33/209230233.db2.gz ORNWEWGSJKLVAU-ZDUSSCGKSA-N -1 0 372.381 0.876 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100085683 209208555 /nfs/dbraw/zinc/20/85/55/209208555.db2.gz ICCXKLSOKHDUBT-DZGCQCFKSA-N -1 0 357.366 0.943 50 0 FCAARM CN(Cc1cc(-c2cnccn2)ccc1OCC(=O)[O-])[C@H]1COC[C@@H]1O ZINC000097272521 209177375 /nfs/dbraw/zinc/17/73/75/209177375.db2.gz FGCIUMCYGFCBIJ-HOTGVXAUSA-N -1 0 359.382 0.799 50 0 FCAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(C(=O)OC)cn2)c1 ZINC000097164860 209172284 /nfs/dbraw/zinc/17/22/84/209172284.db2.gz JUXNFFZZTMZZCB-UHFFFAOYSA-N -1 0 351.340 0.851 50 0 FCAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCC(=O)NCC(=O)[O-] ZINC000096231325 209140900 /nfs/dbraw/zinc/14/09/00/209140900.db2.gz BJKFCXQZNALINA-UHFFFAOYSA-N -1 0 364.789 0.898 50 0 FCAARM CC(C)Cc1nc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)no1 ZINC000096161595 209127122 /nfs/dbraw/zinc/12/71/22/209127122.db2.gz KXMPEQHTYNDFBM-IAQYHMDHSA-N -1 0 372.447 0.046 50 0 FCAARM CCn1ncc(Cl)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002784405 206934446 /nfs/dbraw/zinc/93/44/46/206934446.db2.gz 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FCAARM CCS(=O)(=O)N1C[C@@H]2CN(c3ncccc3Cl)C[C@]2(C(=O)[O-])C1 ZINC000092038184 209013609 /nfs/dbraw/zinc/01/36/09/209013609.db2.gz WHEAHAUPOGMJKZ-HZMBPMFUSA-N -1 0 359.835 0.908 50 0 FCAARM Cc1nc(CC(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)cs1 ZINC000092097389 209017479 /nfs/dbraw/zinc/01/74/79/209017479.db2.gz XYQVAIJDHVMUAU-GFCCVEGCSA-N -1 0 351.428 0.918 50 0 FCAARM Cc1cc(C)n(CCC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095352707 209022740 /nfs/dbraw/zinc/02/27/40/209022740.db2.gz QPSBFPPTAXBAMB-AWEZNQCLSA-N -1 0 362.430 0.814 50 0 FCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000095370635 209033723 /nfs/dbraw/zinc/03/37/23/209033723.db2.gz MFUIRZBCIMNJIW-CYBMUJFWSA-N -1 0 374.393 0.996 50 0 FCAARM COCCS(=O)(=O)[N-]C(=O)c1nnn(-c2ccc(F)cc2)c1C1CC1 ZINC000095958330 209089547 /nfs/dbraw/zinc/08/95/47/209089547.db2.gz HQBYWCGVCJKLQS-UHFFFAOYSA-N -1 0 368.390 0.990 50 0 FCAARM Cc1ccc2c(c1)N(CC(=O)N1Cc3nc[nH]c3C[C@H]1C(=O)[O-])C(=O)CO2 ZINC000096133040 132219657 /nfs/dbraw/zinc/21/96/57/132219657.db2.gz HJBSEXBXDXDWIR-AWEZNQCLSA-N -1 0 370.365 0.482 50 0 FCAARM C[C@H](Oc1ccccc1CN1CCN(c2cc(=O)nc(N)[nH]2)CC1)C(=O)[O-] ZINC000215187725 132269683 /nfs/dbraw/zinc/26/96/83/132269683.db2.gz OWVCNJRXGXVXJR-LBPRGKRZSA-N -1 0 373.413 0.526 50 0 FCAARM Cc1nc(N2CCCCC2)ncc1C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000299792701 132300259 /nfs/dbraw/zinc/30/02/59/132300259.db2.gz FSGITOJOZCOENB-CYBMUJFWSA-N -1 0 361.402 0.191 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000000811052 487469702 /nfs/dbraw/zinc/46/97/02/487469702.db2.gz FOBTVDUCPRNSBE-ZFWWWQNUSA-N -1 0 357.366 0.943 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000002393649 487470257 /nfs/dbraw/zinc/47/02/57/487470257.db2.gz QRSDVGMROQJSIR-LBPRGKRZSA-N -1 0 354.428 0.985 50 0 FCAARM Cc1cccc(NC(=O)CSc2nnc(CCC(=O)[O-])c(=O)n2N)c1 ZINC000003618558 487471724 /nfs/dbraw/zinc/47/17/24/487471724.db2.gz ZSVOJXOJQXRHTH-UHFFFAOYSA-N -1 0 363.399 0.409 50 0 FCAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000003907400 487473748 /nfs/dbraw/zinc/47/37/48/487473748.db2.gz POBAGZNPJVIKGO-UHFFFAOYSA-N -1 0 353.356 0.349 50 0 FCAARM O=C([O-])c1ccc(Br)c(S(=O)(=O)N(CCO)CCO)c1 ZINC000005059589 487485376 /nfs/dbraw/zinc/48/53/76/487485376.db2.gz DTNOKKVLPJNEHY-UHFFFAOYSA-N -1 0 368.205 0.123 50 0 FCAARM Cc1ccccc1OC[C@H](O)C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000299786812 488874581 /nfs/dbraw/zinc/87/45/81/488874581.db2.gz XRGZQJXVQHNFAT-AWEZNQCLSA-N -1 0 359.382 0.751 50 0 FCAARM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000328595377 488922545 /nfs/dbraw/zinc/92/25/45/488922545.db2.gz SPNIXVPBRWYPJA-LLVKDONJSA-N -1 0 362.791 0.174 50 0 FCAARM CC(=O)NCCNC(=O)C[C@@H](C)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826887 487585315 /nfs/dbraw/zinc/58/53/15/487585315.db2.gz NVGWJYWENAGHKR-NSHDSACASA-N -1 0 366.443 0.677 50 0 FCAARM CCC(NN1CCOCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000017246889 487597356 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O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)CCN1 ZINC000071663058 488377047 /nfs/dbraw/zinc/37/70/47/488377047.db2.gz LSGXQTPVBOTNLD-LBPRGKRZSA-N -1 0 361.379 0.453 50 0 FCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)CCN1 ZINC000071663061 488377154 /nfs/dbraw/zinc/37/71/54/488377154.db2.gz LSGXQTPVBOTNLD-GFCCVEGCSA-N -1 0 361.379 0.453 50 0 FCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1nc(C(N)=O)cs1)CC2 ZINC000072145377 488378081 /nfs/dbraw/zinc/37/80/81/488378081.db2.gz NLRVJOLQXVEVNW-NSHDSACASA-N -1 0 352.416 0.534 50 0 FCAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(-n3cccn3)c2)CC1 ZINC000072172967 488379217 /nfs/dbraw/zinc/37/92/17/488379217.db2.gz UWSHFQGBMZUAHZ-UHFFFAOYSA-N -1 0 350.400 0.507 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1cc(=O)n3cccc(O)c3n1)C2 ZINC000072453911 488381184 /nfs/dbraw/zinc/38/11/84/488381184.db2.gz UMOAUDPRAGGIMK-UHFFFAOYSA-N -1 0 369.381 0.630 50 0 FCAARM Cn1nnc2cc(C(=O)N3CCn4nc(CCC(=O)[O-])cc4C3)cnc21 ZINC000072462605 488381344 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0.666 50 0 FCAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCn2cncn2)cc1 ZINC000219275026 488443633 /nfs/dbraw/zinc/44/36/33/488443633.db2.gz QITXYDQDDUYILV-HUUCEWRRSA-N -1 0 360.370 0.719 50 0 FCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000219590615 488444402 /nfs/dbraw/zinc/44/44/02/488444402.db2.gz LLDRAAIEBYAROU-OLZOCXBDSA-N -1 0 351.355 0.723 50 0 FCAARM C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1nnn[n-]1 ZINC000091830470 488470893 /nfs/dbraw/zinc/47/08/93/488470893.db2.gz RWPPXGSIZXYUQJ-MRVPVSSYSA-N -1 0 358.314 0.986 50 0 FCAARM CN(C)C(=O)c1ccc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)o1 ZINC000095369827 488481777 /nfs/dbraw/zinc/48/17/77/488481777.db2.gz WMHSTRZURMWBQL-CYBMUJFWSA-N -1 0 363.414 0.879 50 0 FCAARM Cc1nn(C)c(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])c1Cl ZINC000102616436 488498280 /nfs/dbraw/zinc/49/82/80/488498280.db2.gz PUDFLKRUHJQKOB-FDOIEUKUSA-N -1 0 372.834 0.627 50 0 FCAARM COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2ccc(C(=O)[O-])cc2)C1=O 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CCn1ncc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c1C ZINC000002747767 206931552 /nfs/dbraw/zinc/93/15/52/206931552.db2.gz FIUJGVUMNGDCKC-IINYFYTJSA-N -1 0 350.400 0.584 50 0 biogenic,in-vitro FCAARM CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000003280845 206965577 /nfs/dbraw/zinc/96/55/77/206965577.db2.gz XDZCJZJVUIMYOF-AWEZNQCLSA-N -1 0 370.427 0.547 50 0 FCAARM COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000005022776 207072024 /nfs/dbraw/zinc/07/20/24/207072024.db2.gz QJLIZBFWQTUGDK-HIFRSBDPSA-N -1 0 357.366 0.677 50 0 FCAARM CCC(CC)C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12 ZINC000006397124 207139636 /nfs/dbraw/zinc/13/96/36/207139636.db2.gz WHTOPMSWCVEVDT-ABAIWWIYSA-N -1 0 370.427 0.724 50 0 FCAARM CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000008939761 207252357 /nfs/dbraw/zinc/25/23/57/207252357.db2.gz XXEGZIFBFGHLFW-JTQLQIEISA-N -1 0 355.821 0.506 50 0 FCAARM COc1cc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(C)C3=O)NN2C(C)=O)ccc1O 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-1 0 370.427 0.233 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CCO1 ZINC000299751194 208360649 /nfs/dbraw/zinc/36/06/49/208360649.db2.gz PVHTYQVFJDJRRD-QWHCGFSZSA-N -1 0 354.309 0.630 50 0 FCAARM CN1C(=O)CN([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1=O ZINC000096006721 209094699 /nfs/dbraw/zinc/09/46/99/209094699.db2.gz CAXAAHXNVJQDFO-UHFFFAOYSA-N -1 0 353.278 0.673 50 0 FCAARM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180188366 209091066 /nfs/dbraw/zinc/09/10/66/209091066.db2.gz CKWIYCAUOYYPAD-SSDOTTSWSA-N -1 0 352.334 0.963 50 0 FCAARM COc1cc2c(cc1-c1cn(CCc3n[nH]c(=O)[n-]3)nn1)OCCCO2 ZINC000092001873 209010909 /nfs/dbraw/zinc/01/09/09/209010909.db2.gz XIHITDDPCPOJKB-UHFFFAOYSA-N -1 0 358.358 0.769 50 0 FCAARM COc1ccccc1[C@@H]1CN(C(=O)Cc2cnc(C)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000092004644 209011798 /nfs/dbraw/zinc/01/17/98/209011798.db2.gz RJAHTZYXJKVDEW-LSDHHAIUSA-N -1 0 371.393 0.956 50 0 FCAARM CC(C)=CCN1CC2(CC1=O)CCN(C(=O)Cc1cc(=O)[nH][n-]c1=O)CC2 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RUZAOXUCIOGVOM-CQSZACIVSA-N -1 0 372.429 0.633 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(c3nccc(N4CC[C@H](O)C4)n3)CC2)c1 ZINC000072435345 136147368 /nfs/dbraw/zinc/14/73/68/136147368.db2.gz RUZAOXUCIOGVOM-AWEZNQCLSA-N -1 0 372.429 0.633 50 0 FCAARM N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003812869 487472696 /nfs/dbraw/zinc/47/26/96/487472696.db2.gz QYIYFLOTGYLRGG-GPCCPHFNSA-N -1 0 367.814 0.621 50 0 fda FCAARM C[C@H](C[C@@H](C)C(=O)N1CCOCCOCCOCCOCC1)C(=O)[O-] ZINC000003900486 487473496 /nfs/dbraw/zinc/47/34/96/487473496.db2.gz QMAGWTBFHHMVQB-HUUCEWRRSA-N -1 0 361.435 0.642 50 0 FCAARM C[C@@H](C[C@H](C)C(=O)N1CCOCCOCCOCCOCC1)C(=O)[O-] ZINC000003900488 487473834 /nfs/dbraw/zinc/47/38/34/487473834.db2.gz QMAGWTBFHHMVQB-GJZGRUSLSA-N -1 0 361.435 0.642 50 0 FCAARM Cn1c(=O)c2c(SCC(=O)[O-])nc(-c3ccccc3)nc2n(C)c1=O ZINC000004139112 487475142 /nfs/dbraw/zinc/47/51/42/487475142.db2.gz QVTYBKUNPGIKEA-UHFFFAOYSA-N -1 0 358.379 0.871 50 0 FCAARM 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O=C([O-])C1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC=CC1 ZINC000663108894 493571752 /nfs/dbraw/zinc/57/17/52/493571752.db2.gz IHUSYPGCUOBJQE-UHFFFAOYSA-N -1 0 371.437 0.868 50 0 FCAARM CCc1cc(N2CCN(C(=O)c3cnc4nc(C)[n-]n4c3=O)CC2)ncn1 ZINC000390832243 523796044 /nfs/dbraw/zinc/79/60/44/523796044.db2.gz MBSWVCMRFRXEKB-UHFFFAOYSA-N -1 0 368.401 0.041 50 0 FCAARM COc1ccc(C)cc1N1C[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1=O ZINC000262928254 523819336 /nfs/dbraw/zinc/81/93/36/523819336.db2.gz GAKRKKVNXODBLT-DOMZBBRYSA-N -1 0 362.382 0.669 50 0 FCAARM COc1ccccc1N1C[C@H](C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1=O ZINC000269022389 524581346 /nfs/dbraw/zinc/58/13/46/524581346.db2.gz IUVXUHSHHROUJQ-CHWSQXEVSA-N -1 0 362.382 0.750 50 0 FCAARM CS(=O)(=O)N1CCc2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)ccc21 ZINC000262693484 525185172 /nfs/dbraw/zinc/18/51/72/525185172.db2.gz AOAFWUZPXMKAHL-ZDUSSCGKSA-N -1 0 368.411 0.324 50 0 FCAARM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000269189793 526051666 /nfs/dbraw/zinc/05/16/66/526051666.db2.gz NOVILOMNRPZUNV-XIKOKIGWSA-N -1 0 359.382 0.695 50 0 FCAARM Cc1nonc1CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091625827 526701944 /nfs/dbraw/zinc/70/19/44/526701944.db2.gz YOJKWSDMEWLLOR-NWDGAFQWSA-N -1 0 359.338 0.976 50 0 FCAARM O=C([O-])C[C@H]1CN(C(=O)CN2C(=O)CSc3ccccc32)CCO1 ZINC000269053260 527636460 /nfs/dbraw/zinc/63/64/60/527636460.db2.gz WIHDOESPNBONSX-NSHDSACASA-N -1 0 350.396 0.827 50 0 FCAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004090628 535090080 /nfs/dbraw/zinc/09/00/80/535090080.db2.gz QEGKDAFWQOHJND-HZMBPMFUSA-N -1 0 362.386 0.769 50 0 biogenic FCAARM O=C([O-])[C@@]12CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]1COCC2 ZINC001772702213 1181657598 /nfs/dbraw/zinc/65/75/98/1181657598.db2.gz CAWKXKKARFUGAY-BEFAXECRSA-N -1 0 360.410 0.831 50 0 FCAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000585079532 1187543882 /nfs/dbraw/zinc/54/38/82/1187543882.db2.gz URCKESIQLJUCRU-UHFFFAOYSA-N -1 0 362.389 0.054 50 0 FCAARM CC(C)Cc1nc(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)no1 ZINC001506397470 1264316598 /nfs/dbraw/zinc/31/65/98/1264316598.db2.gz VAKLFSWAZWRAQX-UHFFFAOYSA-N -1 0 360.436 0.741 50 0 FCAARM N=c1nn[n-]n1CC(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001506403627 1264318575 /nfs/dbraw/zinc/31/85/75/1264318575.db2.gz NJRKHUXXWWTBQE-UHFFFAOYSA-N -1 0 356.217 0.741 50 0 FCAARM O=C([O-])c1cc(S(=O)(=O)NCCN2CCC[C@H](CO)C2)ccc1O ZINC000828711145 836545607 /nfs/dbraw/zinc/54/56/07/836545607.db2.gz JNUNHDZEQDEXHF-NSHDSACASA-N -1 0 358.416 0.073 50 0 FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] ZINC000003830215 210229474 /nfs/dbraw/zinc/22/94/74/210229474.db2.gz LSQZJLSUYDQPKJ-NJBDSQKTSA-N -1 0 365.411 0.024 50 0 endogenous,fda FCAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc2oc1=O ZINC000002137456 210226085 /nfs/dbraw/zinc/22/60/85/210226085.db2.gz WRYKBKCLQJZNNK-UHFFFAOYSA-N -1 0 362.338 0.106 50 0 biogenic FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000219569827 222704163 /nfs/dbraw/zinc/70/41/63/222704163.db2.gz PRBFKFFXZDTCQU-HZPDHXFCSA-N -1 0 359.382 0.920 50 0 FCAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@@H](CO)Cc1ccccc1)c2=O ZINC000230274254 210077746 /nfs/dbraw/zinc/07/77/46/210077746.db2.gz KRMLYOSAMSAROE-OAHLLOKOSA-N -1 0 369.425 0.687 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1 ZINC000001530583 210075734 /nfs/dbraw/zinc/07/57/34/210075734.db2.gz BOEGTKLJZSQCCD-ZETOZRRWSA-N -1 0 363.395 0.151 50 0 world FCAARM CCn1ccc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cc1=O ZINC000299801996 210040316 /nfs/dbraw/zinc/04/03/16/210040316.db2.gz RCKHIQSMZMXZCL-QWHCGFSZSA-N -1 0 359.386 0.327 50 0 FCAARM CSCC[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)[O-] ZINC000061719567 212024982 /nfs/dbraw/zinc/02/49/82/212024982.db2.gz PYTVQQMDIGSWOP-NSHDSACASA-N -1 0 351.384 0.826 50 0 FCAARM CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)[O-] ZINC000049546290 211890626 /nfs/dbraw/zinc/89/06/26/211890626.db2.gz JNOQULWSPUEHTG-ZDUSSCGKSA-N -1 0 353.444 0.835 50 0 FCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000299749318 211830442 /nfs/dbraw/zinc/83/04/42/211830442.db2.gz JXVMXQGYKVQXBX-QWRGUYRKSA-N -1 0 366.336 0.880 50 0 FCAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000299741165 211821015 /nfs/dbraw/zinc/82/10/15/211821015.db2.gz DGBIMLITKGSUES-AWEZNQCLSA-N -1 0 354.428 0.858 50 0 FCAARM O=C(NCCc1cn2ccccc2n1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000040119059 211725992 /nfs/dbraw/zinc/72/59/92/211725992.db2.gz APXSZAONDWKEPO-UHFFFAOYSA-N -1 0 350.338 0.644 50 0 FCAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)[O-] ZINC000002154371 210381595 /nfs/dbraw/zinc/38/15/95/210381595.db2.gz GGQFAOLSSDZFAR-UHFFFAOYSA-N -1 0 362.338 0.057 50 0 biogenic FCAARM Cn1c2nc(SCC(=O)[O-])n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000820823 210275741 /nfs/dbraw/zinc/27/57/41/210275741.db2.gz CBEAHRIXZQTTPK-UHFFFAOYSA-N -1 0 360.395 0.843 50 0 FCAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000020760890 220340225 /nfs/dbraw/zinc/34/02/25/220340225.db2.gz ORTDOUPBAVCQFG-UHFFFAOYSA-N -1 0 368.187 0.721 50 0 biogenic FCAARM O=C([O-])[C@@H]1CN(c2ncccn2)CCN1Cc1ccccc1OCCO ZINC000216499710 132271608 /nfs/dbraw/zinc/27/16/08/132271608.db2.gz BGNJKMAEJVMPOK-HNNXBMFYSA-N -1 0 358.398 0.623 50 0 FCAARM COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)C[C@H]2C(=O)[O-])c1 ZINC000071479615 136139442 /nfs/dbraw/zinc/13/94/42/136139442.db2.gz BHIXHPQJYYYDMU-HNNXBMFYSA-N -1 0 372.381 0.909 50 0 FCAARM COc1cccc([C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@H]2C(=O)[O-])c1OC ZINC000091713606 221787083 /nfs/dbraw/zinc/78/70/83/221787083.db2.gz FKRJNXOAQCXKHU-NWDGAFQWSA-N -1 0 373.365 0.728 50 0 FCAARM Cn1c(=O)cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n(C)c1=O ZINC000095356912 221857013 /nfs/dbraw/zinc/85/70/13/221857013.db2.gz BTSJVTGNIHHUJG-CQSZACIVSA-N -1 0 371.393 0.802 50 0 FCAARM CCS(=O)(=O)N1C[C@@H]2CN(C(=O)c3ccccc3C)C[C@]2(C(=O)[O-])C1 ZINC000096153161 222055413 /nfs/dbraw/zinc/05/54/13/222055413.db2.gz HIYJUMUDFHUGJF-GUYCJALGSA-N -1 0 366.439 0.803 50 0 FCAARM CN(C)C(=O)N1C[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@]2(C(=O)[O-])C1 ZINC000096162648 222061347 /nfs/dbraw/zinc/06/13/47/222061347.db2.gz JERSMQVFDWUNKI-LIRRHRJNSA-N -1 0 374.441 0.893 50 0 FCAARM O=C(CCc1nc2cc(F)ccc2[nH]1)N1CCc2c(=O)n(CCO)[n-]c2C1 ZINC000097425066 222180662 /nfs/dbraw/zinc/18/06/62/222180662.db2.gz YONNBAKBLNNONB-UHFFFAOYSA-N -1 0 373.388 0.702 50 0 FCAARM CN1CCN(Cc2cc(-c3cnccn3)ccc2OCC(=O)[O-])CC1=O ZINC000097785008 222213556 /nfs/dbraw/zinc/21/35/56/222213556.db2.gz TVGRWIBSXKVJMN-UHFFFAOYSA-N -1 0 356.382 0.881 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100639114 222248145 /nfs/dbraw/zinc/24/81/45/222248145.db2.gz GRWHQLHFLOEFCN-HIFRSBDPSA-N -1 0 357.366 0.888 50 0 FCAARM CCOc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C)cc1 ZINC000101767351 222284153 /nfs/dbraw/zinc/28/41/53/222284153.db2.gz BSZGYSOAXFLNKD-AWEZNQCLSA-N -1 0 358.398 0.969 50 0 FCAARM CCOc1ccccc1[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])NC(C)=O ZINC000299748835 488871514 /nfs/dbraw/zinc/87/15/14/488871514.db2.gz IJVYJECVXITPTM-GJZGRUSLSA-N -1 0 364.398 0.965 50 0 FCAARM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299751684 488871919 /nfs/dbraw/zinc/87/19/19/488871919.db2.gz RHIRJTJAQIWGMF-WRRPDLTESA-N -1 0 363.414 0.951 50 0 FCAARM O=C([O-])c1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 ZINC000299749625 488872031 /nfs/dbraw/zinc/87/20/31/488872031.db2.gz LBGVWKHYWCEKKU-SNVBAGLBSA-N -1 0 360.395 0.901 50 0 FCAARM CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)[O-])cc3)nc2c1=O ZINC000003995486 487473449 /nfs/dbraw/zinc/47/34/49/487473449.db2.gz UYDRRQPGDSIMNU-UHFFFAOYSA-N -1 0 350.356 0.737 50 0 aggregator,in-vivo FCAARM C[C@@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000004085299 487473909 /nfs/dbraw/zinc/47/39/09/487473909.db2.gz LZBURFZSWMUWSF-NBZZCRHSSA-N -1 0 364.423 0.985 50 0 biogenic FCAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000004197140 487474829 /nfs/dbraw/zinc/47/48/29/487474829.db2.gz FDPWBZONXWFONB-TZMCWYRMSA-N -1 0 370.427 0.377 50 0 FCAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])c(N2CCOCC2)n1 ZINC000004381410 487477600 /nfs/dbraw/zinc/47/76/00/487477600.db2.gz QZNQHAKZUFJSHL-UHFFFAOYSA-N -1 0 359.342 0.667 50 0 FCAARM C=CCN1C(=O)[C@H](CC(=O)[O-])SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000004689266 487480019 /nfs/dbraw/zinc/48/00/19/487480019.db2.gz OMVWFYHGOQIEOB-NSHDSACASA-N -1 0 369.424 0.926 50 0 FCAARM CCC(CC)C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12 ZINC000006397108 487495490 /nfs/dbraw/zinc/49/54/90/487495490.db2.gz WHTOPMSWCVEVDT-NHYWBVRUSA-N -1 0 370.427 0.724 50 0 FCAARM CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000006907185 487500558 /nfs/dbraw/zinc/50/05/58/487500558.db2.gz VGVCTAXLJZOGTJ-UONOGXRCSA-N -1 0 359.382 0.963 50 0 FCAARM CSCC[C@@H](C(=O)NCCC(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000008971910 487522369 /nfs/dbraw/zinc/52/23/69/487522369.db2.gz XRQASEJKPLXWQB-LBPRGKRZSA-N -1 0 365.411 0.987 50 0 biogenic FCAARM COc1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)nc(OC)n1 ZINC000009113594 487523560 /nfs/dbraw/zinc/52/35/60/487523560.db2.gz WTSMFIHNSAEOGC-UHFFFAOYSA-N -1 0 363.359 0.270 50 0 FCAARM NC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(=O)[n-]1 ZINC000024747860 487651646 /nfs/dbraw/zinc/65/16/46/487651646.db2.gz KTPSOKWOMXRKBM-UHFFFAOYSA-N -1 0 363.355 0.302 50 0 FCAARM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1F ZINC000042312535 487861104 /nfs/dbraw/zinc/86/11/04/487861104.db2.gz RALROQJTYCWZMH-UHFFFAOYSA-N -1 0 366.370 0.981 50 0 FCAARM O=C(Cc1nnn[n-]1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000048351406 488067446 /nfs/dbraw/zinc/06/74/46/488067446.db2.gz VZMVBOBFJAGONZ-UHFFFAOYSA-N -1 0 353.342 0.446 50 0 FCAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000055309612 488241503 /nfs/dbraw/zinc/24/15/03/488241503.db2.gz FZMTYONUWBWZPP-UHFFFAOYSA-N -1 0 355.358 0.872 50 0 FCAARM CCN1C[C@@]2(C(=O)[O-])CN(c3nc4c(cc3C(N)=O)CCC4)C[C@H]2C1=O ZINC000072421357 488380367 /nfs/dbraw/zinc/38/03/67/488380367.db2.gz UHJQFKQAXRJLRB-KPZWWZAWSA-N -1 0 358.398 0.039 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC000072422285 488380432 /nfs/dbraw/zinc/38/04/32/488380432.db2.gz OTYGHLAEQMUAIJ-UHFFFAOYSA-N -1 0 353.404 0.190 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc4ncccn4n3)CC2)c1 ZINC000072425970 488380522 /nfs/dbraw/zinc/38/05/22/488380522.db2.gz NKYNLILXGWWUJT-UHFFFAOYSA-N -1 0 354.370 0.950 50 0 FCAARM Cn1ccc(C(=O)N2CC3(C[C@H]2C(=O)[O-])CCN(C(=O)C2CC2)CC3)n1 ZINC000072475898 488381729 /nfs/dbraw/zinc/38/17/29/488381729.db2.gz SCNBJQFELPRQDA-AWEZNQCLSA-N -1 0 360.414 0.738 50 0 FCAARM CS(=O)(=O)NC1CCN(c2nc(C(=O)[O-])nc3ccccc32)CC1 ZINC000083987490 488449293 /nfs/dbraw/zinc/44/92/93/488449293.db2.gz IZKRANQYWDMHRG-UHFFFAOYSA-N -1 0 350.400 0.846 50 0 FCAARM CC(C)C(=O)NCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000223923356 488449639 /nfs/dbraw/zinc/44/96/39/488449639.db2.gz YVKPIWRCNIPJAX-HUUCEWRRSA-N -1 0 364.398 0.810 50 0 FCAARM CC(C)(C)C(=O)Nc1ccc(C(=O)CC2(O)C(=O)[N-]C(=O)NC2=O)cc1 ZINC000226795173 488451833 /nfs/dbraw/zinc/45/18/33/488451833.db2.gz MMHKWOJQPGKXAN-UHFFFAOYSA-N -1 0 361.354 0.341 50 0 FCAARM Cn1cc(/C=C/C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(=O)n(C)c1=O ZINC000268942391 488458430 /nfs/dbraw/zinc/45/84/30/488458430.db2.gz MOVLLXKJIOXFOH-KCJPBNATSA-N -1 0 361.398 0.342 50 0 FCAARM Cc1[nH]c(C(=O)NC[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000244724051 488460985 /nfs/dbraw/zinc/46/09/85/488460985.db2.gz MMMNXYAWGSQVET-NSHDSACASA-N -1 0 357.432 0.731 50 0 FCAARM COc1ccccc1[C@@H]1CN(C(=O)CCCn2cnnn2)C[C@H]1C(=O)[O-] ZINC000091724951 488468682 /nfs/dbraw/zinc/46/86/82/488468682.db2.gz OEXHONCYPYIXLI-UONOGXRCSA-N -1 0 359.386 0.789 50 0 FCAARM Cc1cc(F)ccc1CN1CCN(CCC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000091793188 488469373 /nfs/dbraw/zinc/46/93/73/488469373.db2.gz KEHRYMNDDVKXMB-CVEARBPZSA-N -1 0 370.446 0.892 50 0 FCAARM COCCN(C)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091965751 488472564 /nfs/dbraw/zinc/47/25/64/488472564.db2.gz WCCUDRQHSQMJEA-UONOGXRCSA-N -1 0 364.398 0.620 50 0 FCAARM CC(=O)NC(C)(C)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091997363 488472807 /nfs/dbraw/zinc/47/28/07/488472807.db2.gz LMDXEKAGIWSBSQ-QWHCGFSZSA-N -1 0 362.382 0.957 50 0 FCAARM Cc1nn(CC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c(=O)c2ccccc12 ZINC000095366317 488481814 /nfs/dbraw/zinc/48/18/14/488481814.db2.gz GQDIEOJQLDQDSY-HNNXBMFYSA-N -1 0 367.365 0.466 50 0 FCAARM CCOCCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nnn[n-]2)c1 ZINC000095373740 488482160 /nfs/dbraw/zinc/48/21/60/488482160.db2.gz BIDDWUBZGXOWGZ-JTQLQIEISA-N -1 0 368.419 0.006 50 0 FCAARM COCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000095517939 488486563 /nfs/dbraw/zinc/48/65/63/488486563.db2.gz ORIAIJDLOWOWGJ-HNNXBMFYSA-N -1 0 364.398 0.389 50 0 FCAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901851 488496762 /nfs/dbraw/zinc/49/67/62/488496762.db2.gz XCQJWLDFLCEWMB-YPMHNXCESA-N -1 0 353.375 0.468 50 0 FCAARM CC(C)[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000262151176 488553559 /nfs/dbraw/zinc/55/35/59/488553559.db2.gz UCLWAABNMXRTRL-KBPBESRZSA-N -1 0 359.386 0.849 50 0 FCAARM COc1ccc(N2C[C@@H](C(=O)N(C)CCC(=O)[O-])CC2=O)c(OC)c1 ZINC000262932879 488599885 /nfs/dbraw/zinc/59/98/85/488599885.db2.gz XXJWJWOQJAJAHZ-NSHDSACASA-N -1 0 350.371 0.990 50 0 FCAARM Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)c(F)c1 ZINC000361981069 489371035 /nfs/dbraw/zinc/37/10/35/489371035.db2.gz ILEVGQTYQNXCCL-BXUZGUMPSA-N -1 0 350.346 0.799 50 0 FCAARM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000571284378 491297708 /nfs/dbraw/zinc/29/77/08/491297708.db2.gz UHHUJLOQVWWMRM-LBPRGKRZSA-N -1 0 358.354 0.347 50 0 FCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000643433100 492459550 /nfs/dbraw/zinc/45/95/50/492459550.db2.gz OTHIQTYZLIFSCU-CYBMUJFWSA-N -1 0 354.359 0.560 50 0 FCAARM COCCOc1ncccc1NC(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000656602079 492635459 /nfs/dbraw/zinc/63/54/59/492635459.db2.gz GGFRPFLENYJDKT-BDJLRTHQSA-N -1 0 351.359 0.672 50 0 FCAARM O=C([O-])Cn1ccc(NC(=O)CNC(=O)N2CCc3ccccc3C2)n1 ZINC000663144448 493574934 /nfs/dbraw/zinc/57/49/34/493574934.db2.gz CLQRGOQKHHLJDG-UHFFFAOYSA-N -1 0 357.370 0.674 50 0 FCAARM Cc1c(C)[n+]([O-])c([C@H](c2ccncc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000409415699 533823762 /nfs/dbraw/zinc/82/37/62/533823762.db2.gz YPTVSNPSGWUFGR-CYBMUJFWSA-N -1 0 371.397 0.469 50 0 FCAARM Cc1c(C)[n+]([O-])c([C@@H](c2ccco2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000409415479 533824139 /nfs/dbraw/zinc/82/41/39/533824139.db2.gz LNCOSQLCRDCUKY-LBPRGKRZSA-N -1 0 360.370 0.667 50 0 FCAARM CNS(=O)(=O)c1ccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000262879294 522285275 /nfs/dbraw/zinc/28/52/75/522285275.db2.gz YROHRZMVDVCQNI-CYBMUJFWSA-N -1 0 370.427 0.229 50 0 FCAARM C[C@]1(C2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)NC(=O)NC1=O ZINC000262357553 525239371 /nfs/dbraw/zinc/23/93/71/525239371.db2.gz COTWUDNLZIJMFQ-OAHLLOKOSA-N -1 0 351.384 0.897 50 0 FCAARM C[C@@]1(C2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)NC(=O)NC1=O ZINC000262357552 525824125 /nfs/dbraw/zinc/82/41/25/525824125.db2.gz COTWUDNLZIJMFQ-HNNXBMFYSA-N -1 0 351.384 0.897 50 0 FCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cc(F)ccc2OC)C1 ZINC000685940951 546850355 /nfs/dbraw/zinc/85/03/55/546850355.db2.gz LOWLKEJARNAZIA-GWCFXTLKSA-N -1 0 352.362 0.815 50 0 FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)[O-] ZINC000003830216 574411969 /nfs/dbraw/zinc/41/19/69/574411969.db2.gz LSQZJLSUYDQPKJ-ZHSDAYTOSA-N -1 0 365.411 0.024 50 0 endogenous,in-man FCAARM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] ZINC000003978046 574412118 /nfs/dbraw/zinc/41/21/18/574412118.db2.gz LSQZJLSUYDQPKJ-BBGACYKPSA-N -1 0 365.411 0.024 50 0 endogenous,in-man FCAARM NC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000002913463 663522287 /nfs/dbraw/zinc/52/22/87/663522287.db2.gz MJUHYCWWXAVEHR-UHFFFAOYSA-N -1 0 368.396 0.763 50 0 FCAARM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)c3sccc3F)C2)C1 ZINC000888092711 664827181 /nfs/dbraw/zinc/82/71/81/664827181.db2.gz QCNUHVGBVLUKIQ-DTWKUNHWSA-N -1 0 362.404 0.583 50 0 FCAARM O=C([O-])[C@@]12CN(C(=O)CCc3nc4ccccc4[nH]c3=O)C[C@@H]1COCC2 ZINC001772711555 1181710943 /nfs/dbraw/zinc/71/09/43/1181710943.db2.gz ZYLIWWBEMCOQAM-BLVKFPJESA-N -1 0 371.393 0.805 50 0 FCAARM O=C([O-])c1cc2n(n1)CCN(C(=O)[C@@H](Cc1c[nH]cn1)n1cccc1)C2 ZINC000198944070 1190653738 /nfs/dbraw/zinc/65/37/38/1190653738.db2.gz GRFMJSRNXXQUAW-OAHLLOKOSA-N -1 0 354.370 0.932 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCc2ncnc(NC3CC3)c2CC1 ZINC000072428140 1219331335 /nfs/dbraw/zinc/33/13/35/1219331335.db2.gz VHQXCQHUTHPONH-UHFFFAOYSA-N -1 0 356.386 0.010 50 0 FCAARM CCc1ncc(C(=O)N2CCCN(c3ccc(C(=O)[O-])nn3)CC2)cn1 ZINC001772808892 1290901194 /nfs/dbraw/zinc/90/11/94/1290901194.db2.gz DVCIRKABZROLJB-UHFFFAOYSA-N -1 0 356.386 0.880 50 0 FCAARM CN1CC(=O)N(CCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299742999 210225624 /nfs/dbraw/zinc/22/56/24/210225624.db2.gz LJJPGYTXXYTUSU-XQQFMLRXSA-N -1 0 351.403 0.905 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000328589419 210107270 /nfs/dbraw/zinc/10/72/70/210107270.db2.gz AIOYOPGYBHYZEW-YSKGHYERSA-N -1 0 352.412 0.931 50 0 FCAARM CN(C)C(=O)c1ccc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)o1 ZINC000095369828 210084276 /nfs/dbraw/zinc/08/42/76/210084276.db2.gz WMHSTRZURMWBQL-ZDUSSCGKSA-N -1 0 363.414 0.879 50 0 FCAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)c1 ZINC000299760224 210012051 /nfs/dbraw/zinc/01/20/51/210012051.db2.gz OYFFMGLNCUBLIU-UHFFFAOYSA-N -1 0 365.386 0.406 50 0 FCAARM CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)[C@H]1c1cccs1 ZINC000299750798 211834134 /nfs/dbraw/zinc/83/41/34/211834134.db2.gz OKSBZRIGXQFXMY-PGUXBMHVSA-N -1 0 352.412 0.970 50 0 FCAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000299749316 211829492 /nfs/dbraw/zinc/82/94/92/211829492.db2.gz JXVMXQGYKVQXBX-GHMZBOCLSA-N -1 0 366.336 0.880 50 0 FCAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C1CCOCC1 ZINC000299749486 211831953 /nfs/dbraw/zinc/83/19/53/211831953.db2.gz KMTGZDQHBSROTQ-ZDUSSCGKSA-N -1 0 361.398 0.522 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000299743765 211823986 /nfs/dbraw/zinc/82/39/86/211823986.db2.gz PIDMUVXDACDKED-XUXIUFHCSA-N -1 0 358.460 0.902 50 0 FCAARM COc1cccc(-n2c(O)c3[nH][n-]c(C(=O)OC[C@@H]4CCCO4)c-3c2=O)c1 ZINC000016040550 220176171 /nfs/dbraw/zinc/17/61/71/220176171.db2.gz JFSNGQDCCGHJFF-IHRRRGAJSA-N -1 0 373.365 0.235 50 0 biogenic FCAARM Cn1c(=O)c(-c2noc(CCC(=O)[O-])n2)nn(-c2ccc(F)cc2)c1=O ZINC000021147206 211309259 /nfs/dbraw/zinc/30/92/59/211309259.db2.gz OBJWWAURQGHVJK-UHFFFAOYSA-N -1 0 361.289 0.138 50 0 FCAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000018063726 211189790 /nfs/dbraw/zinc/18/97/90/211189790.db2.gz BJGJAXHNEPLZQQ-ZDUSSCGKSA-N -1 0 360.366 0.886 50 0 FCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Br)c(=O)c1-2 ZINC000018157497 211194248 /nfs/dbraw/zinc/19/42/48/211194248.db2.gz WDZNAZASSADKQS-RKDXNWHRSA-N -1 0 352.144 0.439 50 0 FCAARM COc1ccc(Cc2n[n-]c(NCCCN3CCOCC3)nc2=O)cc1 ZINC000016777361 211168994 /nfs/dbraw/zinc/16/89/94/211168994.db2.gz CTPOEFUHPACCDF-UHFFFAOYSA-N -1 0 359.430 0.899 50 0 FCAARM CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCC(=O)[O-] ZINC000005482781 210624653 /nfs/dbraw/zinc/62/46/53/210624653.db2.gz VSUYATCNELYCJH-AWEZNQCLSA-N -1 0 359.386 0.791 50 0 FCAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000009338443 210271217 /nfs/dbraw/zinc/27/12/17/210271217.db2.gz HICVPFTXUNZNDA-UHFFFAOYSA-N -1 0 370.408 0.921 50 0 FCAARM O=C(NCc1nnn[n-]1)c1cc2n(n1)CCCN(Cc1ccccc1)C2 ZINC000067871687 221298410 /nfs/dbraw/zinc/29/84/10/221298410.db2.gz ZEGADBMKCHLGDM-UHFFFAOYSA-N -1 0 352.402 0.732 50 0 FCAARM O=C([O-])[C@H](NC(=O)Cn1nc2c(cc1=O)CSCC2)c1ccccc1 ZINC000071280064 221336722 /nfs/dbraw/zinc/33/67/22/221336722.db2.gz HGUBGHVXJHYCLC-MRXNPFEDSA-N -1 0 359.407 0.975 50 0 FCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 ZINC000071288013 221340018 /nfs/dbraw/zinc/34/00/18/221340018.db2.gz DMJDRQOEWSMHDZ-KGLIPLIRSA-N -1 0 359.382 0.554 50 0 FCAARM CSCC[C@@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)[O-] ZINC000071328856 221344071 /nfs/dbraw/zinc/34/40/71/221344071.db2.gz PYTVQQMDIGSWOP-LLVKDONJSA-N -1 0 351.384 0.826 50 0 FCAARM O=C([O-])c1nccnc1C(=O)NCCNC(=O)c1nc2ccccc2s1 ZINC000072404801 221496852 /nfs/dbraw/zinc/49/68/52/221496852.db2.gz RLCBEBMVAQGYKB-UHFFFAOYSA-N -1 0 371.378 0.944 50 0 FCAARM NC(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(=O)[O-])c3)CC2)C1 ZINC000095363732 132208062 /nfs/dbraw/zinc/20/80/62/132208062.db2.gz VCSGXSRRUVHHLZ-AWEZNQCLSA-N -1 0 360.414 0.824 50 0 FCAARM CO[C@@H]1CCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096164781 132221494 /nfs/dbraw/zinc/22/14/94/132221494.db2.gz PSUMGQDHPWRJFT-GFCCVEGCSA-N -1 0 350.419 0.901 50 0 FCAARM CC(C)(C(=O)[O-])c1cnc(N2CCC(O)CC2)nc1N1CCOCC1 ZINC000096180518 132221692 /nfs/dbraw/zinc/22/16/92/132221692.db2.gz BZRUFQVSTNKMMO-UHFFFAOYSA-N -1 0 350.419 0.637 50 0 FCAARM COc1cc([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)cc(OC)c1 ZINC000096102015 222023939 /nfs/dbraw/zinc/02/39/39/222023939.db2.gz UFMUUYPTRPDXTQ-UHFFFAOYSA-N -1 0 350.356 0.841 50 0 FCAARM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000095969635 221982852 /nfs/dbraw/zinc/98/28/52/221982852.db2.gz RRWONQIPIBQMEK-PWSUYJOCSA-N -1 0 372.447 0.169 50 0 FCAARM COc1cc(C(=O)N[C@@H](C)C(=O)NCCC(=O)[O-])cc(OC)c1OC ZINC000095969657 221983074 /nfs/dbraw/zinc/98/30/74/221983074.db2.gz JHHNSTQAGZPKMO-VIFPVBQESA-N -1 0 354.359 0.422 50 0 FCAARM CC(=O)N1C[C@H]2CN(S(=O)(=O)Cc3ccc(C)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000096138372 222042768 /nfs/dbraw/zinc/04/27/68/222042768.db2.gz JKWABPIGQZNQGD-RDJZCZTQSA-N -1 0 366.439 0.690 50 0 FCAARM Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)on1 ZINC000096152670 222055005 /nfs/dbraw/zinc/05/50/05/222055005.db2.gz KVVDFDUCAHXUMW-YPMHNXCESA-N -1 0 372.385 0.351 50 0 FCAARM CC(=O)N1C[C@H]2CN(c3nc(N(C)C)nc4c3CCCC4)C[C@@]2(C(=O)[O-])C1 ZINC000096160703 222060252 /nfs/dbraw/zinc/06/02/52/222060252.db2.gz DPBCSBNTFADHGA-DJJJIMSYSA-N -1 0 373.457 0.791 50 0 FCAARM CSCCc1nc(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(CC(=O)[O-])n1 ZINC000097743259 222208282 /nfs/dbraw/zinc/20/82/82/222208282.db2.gz QKERRGWKCYOVFA-UHFFFAOYSA-N -1 0 361.383 0.465 50 0 FCAARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=C1C(=O)[N-]C(=O)NC1=O ZINC000101032154 222260935 /nfs/dbraw/zinc/26/09/35/222260935.db2.gz KABPCGFSQLUZNY-ZDUSSCGKSA-N -1 0 370.365 0.482 50 0 FCAARM CC[C@H](C)[C@H](NC(=O)N1CCN(c2ncccc2C(N)=O)CC1)C(=O)[O-] ZINC000426519297 263618410 /nfs/dbraw/zinc/61/84/10/263618410.db2.gz RLJQIGICFDVINS-AAEUAGOBSA-N -1 0 363.418 0.511 50 0 FCAARM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000299741713 488870995 /nfs/dbraw/zinc/87/09/95/488870995.db2.gz AHROTEBXGSJIHG-ZDUSSCGKSA-N -1 0 356.400 0.190 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000299748543 488871430 /nfs/dbraw/zinc/87/14/30/488871430.db2.gz HKNLVEWNUIQQMQ-NOZJJQNGSA-N -1 0 354.309 0.630 50 0 FCAARM O=C([O-])C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000299753949 488871940 /nfs/dbraw/zinc/87/19/40/488871940.db2.gz ZYOYIFYLZLIHED-LLVKDONJSA-N -1 0 361.803 0.816 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3Cl)[C@@H]2SC1 ZINC000002739335 487470333 /nfs/dbraw/zinc/47/03/33/487470333.db2.gz HIWQXSOSGUJLGS-UFBFGSQYSA-N -1 0 356.791 0.446 50 0 FCAARM COCCCNC(=S)N[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000002858195 487470512 /nfs/dbraw/zinc/47/05/12/487470512.db2.gz APXREWCDUMFSPQ-UHFFFAOYSA-N -1 0 363.461 0.398 50 0 FCAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000002853039 487470544 /nfs/dbraw/zinc/47/05/44/487470544.db2.gz YLXIPFYAHIUCEX-LBPRGKRZSA-N -1 0 372.472 0.481 50 0 FCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCN1CCOCC1 ZINC000003259325 487470684 /nfs/dbraw/zinc/47/06/84/487470684.db2.gz ASEODXGAPXXLHA-UHFFFAOYSA-N -1 0 358.416 0.394 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004104548 487474618 /nfs/dbraw/zinc/47/46/18/487474618.db2.gz KCTUGKGYNYCRST-YPMHNXCESA-N -1 0 363.757 0.979 50 0 FCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000004673123 487480188 /nfs/dbraw/zinc/48/01/88/487480188.db2.gz CNDSWJGYIOTWMA-DGCLKSJQSA-N -1 0 363.757 0.898 50 0 FCAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000005151693 487486624 /nfs/dbraw/zinc/48/66/24/487486624.db2.gz RDLVWYVCXIOWHV-LBPRGKRZSA-N -1 0 354.428 0.985 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000005443110 487489683 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836091820 /nfs/dbraw/zinc/09/18/20/836091820.db2.gz AIOYOPGYBHYZEW-OYVUYXNMSA-N -1 0 352.412 0.931 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000606440976 836091882 /nfs/dbraw/zinc/09/18/82/836091882.db2.gz UIDUMDHNEFYNGF-DAXSKMNVSA-N -1 0 352.412 0.931 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC000003830393 210079506 /nfs/dbraw/zinc/07/95/06/210079506.db2.gz BOEGTKLJZSQCCD-JRPNMDOOSA-N -1 0 363.395 0.151 50 0 world FCAARM COc1cc(C)ccc1S(=O)(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000223766163 222794239 /nfs/dbraw/zinc/79/42/39/222794239.db2.gz ZTOFWPVXGUKRIS-NEPJUHHUSA-N -1 0 359.400 0.541 50 0 FCAARM COCC(=O)N1CCCN(CC(=O)Nc2nc(C)c(C(=O)[O-])s2)CC1 ZINC000244884210 222944285 /nfs/dbraw/zinc/94/42/85/222944285.db2.gz YHLRGJKNFDNCKD-UHFFFAOYSA-N -1 0 370.431 0.269 50 0 FCAARM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000238163122 209363671 /nfs/dbraw/zinc/36/36/71/209363671.db2.gz FWHUPMOWTLJLOG-UHFFFAOYSA-N -1 0 352.334 0.885 50 0 FCAARM C[C@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000012883732 220039019 /nfs/dbraw/zinc/03/90/19/220039019.db2.gz LZBURFZSWMUWSF-DCDNZZDYSA-N -1 0 364.423 0.985 50 0 biogenic FCAARM COCCCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000012975497 220047715 /nfs/dbraw/zinc/04/77/15/220047715.db2.gz WZRUZVRRNWJVDT-UHFFFAOYSA-N -1 0 372.443 0.775 50 0 FCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cn1nnc2ccccc2c1=O ZINC000299753534 211837092 /nfs/dbraw/zinc/83/70/92/211837092.db2.gz YLYDPIQKMBXAEV-MRXNPFEDSA-N -1 0 364.361 0.830 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000299743864 211824575 /nfs/dbraw/zinc/82/45/75/211824575.db2.gz POAWZNQNULTZKM-LSDHHAIUSA-N -1 0 366.439 0.696 50 0 FCAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000299741923 211822116 /nfs/dbraw/zinc/82/21/16/211822116.db2.gz HUGDFCKDVBVCAM-WCQYABFASA-N -1 0 360.366 0.744 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C(=O)[O-])[C@H](C)O ZINC000014120420 211074904 /nfs/dbraw/zinc/07/49/04/211074904.db2.gz XSSYFZZDGSORJF-SMDDNHRTSA-N -1 0 370.427 0.343 50 0 FCAARM O=C(c1ccc(F)cc1[O-])N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000269733720 211059317 /nfs/dbraw/zinc/05/93/17/211059317.db2.gz WYGWPYNRVDVRJV-UHFFFAOYSA-N -1 0 369.374 0.807 50 0 FCAARM Cn1nnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013411340 211032574 /nfs/dbraw/zinc/03/25/74/211032574.db2.gz BNCWYKNAOSSWOB-GFCCVEGCSA-N -1 0 360.399 0.596 50 0 FCAARM COCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-] ZINC000004936428 210582787 /nfs/dbraw/zinc/58/27/87/210582787.db2.gz XITXJGLZGSFZQU-UHFFFAOYSA-N -1 0 356.400 0.365 50 0 FCAARM O=C([O-])C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000091292490 208138212 /nfs/dbraw/zinc/13/82/12/208138212.db2.gz UGWOBOZYXCYYSO-SNVBAGLBSA-N -1 0 359.176 0.313 50 0 FCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1sccc1Br ZINC000088376572 208116743 /nfs/dbraw/zinc/11/67/43/208116743.db2.gz JSDWOEWVNONUMA-SSDOTTSWSA-N -1 0 356.219 0.985 50 0 FCAARM Cc1nn(C)c(C)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002783860 210423616 /nfs/dbraw/zinc/42/36/16/210423616.db2.gz ZUUVNGPHBJSYKK-IINYFYTJSA-N -1 0 350.400 0.409 50 0 FCAARM CSCC[C@H](NC(=O)[C@H](C)n1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002340396 210392378 /nfs/dbraw/zinc/39/23/78/210392378.db2.gz YFZARXGPERCPSI-CABZTGNLSA-N -1 0 350.400 0.675 50 0 FCAARM Cc1ccc(Cn2c(SCC(=O)[O-])nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000850086 210280604 /nfs/dbraw/zinc/28/06/04/210280604.db2.gz FZPIBPUTDXCDGB-UHFFFAOYSA-N -1 0 360.395 0.957 50 0 FCAARM NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000022409551 220385805 /nfs/dbraw/zinc/38/58/05/220385805.db2.gz CNLQURUJIGXIDC-UHFFFAOYSA-N -1 0 356.381 0.833 50 0 FCAARM O=C([O-])c1cc2n(n1)CCCN(S(=O)(=O)c1cccc3nonc31)C2 ZINC000065381628 221207945 /nfs/dbraw/zinc/20/79/45/221207945.db2.gz KTRKVYCOIQWVCQ-UHFFFAOYSA-N -1 0 363.355 0.712 50 0 FCAARM O=C([O-])c1c2c(sc1S(=O)(=O)N1CCC(C(=O)[O-])CC1)C[NH2+]CC2 ZINC000067955185 221309645 /nfs/dbraw/zinc/30/96/45/221309645.db2.gz DFVCVDOIJVOGRW-UHFFFAOYSA-N -1 0 374.440 0.577 50 0 FCAARM O=C([O-])[C@H]1CC2(CN1C(=O)Cn1cccn1)CCN(C(=O)C1CC1)CC2 ZINC000072425610 221514678 /nfs/dbraw/zinc/51/46/78/221514678.db2.gz MKXWTPHBMJDKTK-CQSZACIVSA-N -1 0 360.414 0.587 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1 ZINC000408513225 533390037 /nfs/dbraw/zinc/39/00/37/533390037.db2.gz ARJGLOMIOLQADN-STQMWFEESA-N -1 0 362.448 0.140 50 0 FCAARM Cn1ncc(N2CCO[C@H](CCNc3ncccc3C(=O)[O-])C2)cc1=O ZINC000077287980 132179749 /nfs/dbraw/zinc/17/97/49/132179749.db2.gz JWRQYHXQMOLXEX-CYBMUJFWSA-N -1 0 359.386 0.581 50 0 FCAARM Cn1c(=O)cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n(C)c1=O ZINC000095352807 221852428 /nfs/dbraw/zinc/85/24/28/221852428.db2.gz PIMDLUFPFSPBRD-AWEZNQCLSA-N -1 0 371.393 0.802 50 0 FCAARM CCCn1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cn1 ZINC000095364131 221866056 /nfs/dbraw/zinc/86/60/56/221866056.db2.gz OKCPZDHWOSZDGX-LBPRGKRZSA-N -1 0 370.431 0.037 50 0 FCAARM CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc(C4CC4)no3)C[C@]2(C(=O)[O-])C1 ZINC000096133650 222040097 /nfs/dbraw/zinc/04/00/97/222040097.db2.gz GIIIQLRJJWCVOF-NHYWBVRUSA-N -1 0 370.431 0.115 50 0 FCAARM CS(=O)(=O)N1C[C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@]2(C(=O)[O-])C1 ZINC000096141802 222046291 /nfs/dbraw/zinc/04/62/91/222046291.db2.gz ILPLIBHVDSWABH-IAQYHMDHSA-N -1 0 372.830 0.758 50 0 FCAARM CCS(=O)(=O)N1C[C@@H]2CN(Cc3cc(C4CC4)on3)C[C@]2(C(=O)[O-])C1 ZINC000096152985 222055391 /nfs/dbraw/zinc/05/53/91/222055391.db2.gz PTIKCCXXMSYSKR-LRDDRELGSA-N -1 0 369.443 0.720 50 0 FCAARM Cc1ccc(=O)n(Cc2nc(COc3cccc(F)c3)nn2CC(=O)[O-])n1 ZINC000097474872 222182628 /nfs/dbraw/zinc/18/26/28/222182628.db2.gz ZIGDHVSXRZWNCK-UHFFFAOYSA-N -1 0 373.344 0.994 50 0 FCAARM C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000098031698 222221570 /nfs/dbraw/zinc/22/15/70/222221570.db2.gz AFRGIWICJULDKF-MNOVXSKESA-N -1 0 358.391 0.816 50 0 FCAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(C)=O)cc1 ZINC000101765883 222283036 /nfs/dbraw/zinc/28/30/36/222283036.db2.gz QFFTZGMUZHRMRM-CYBMUJFWSA-N -1 0 358.354 0.485 50 0 FCAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)n1 ZINC000426489612 263604465 /nfs/dbraw/zinc/60/44/65/263604465.db2.gz JUBVYRJVIBUGFG-HNNXBMFYSA-N -1 0 364.446 0.786 50 0 FCAARM Cc1oc(CN(C)C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000299747037 488871309 /nfs/dbraw/zinc/87/13/09/488871309.db2.gz BYDMGVKULUANPI-LLVKDONJSA-N -1 0 358.416 0.916 50 0 FCAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000299741868 488871321 /nfs/dbraw/zinc/87/13/21/488871321.db2.gz HJIONPGNTGOYQG-JTQLQIEISA-N -1 0 364.379 0.540 50 0 FCAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n1 ZINC000299753346 488871976 /nfs/dbraw/zinc/87/19/76/488871976.db2.gz XXKCOLALEWLCHQ-AWEZNQCLSA-N -1 0 356.382 0.997 50 0 FCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000002130507 487470210 /nfs/dbraw/zinc/47/02/10/487470210.db2.gz ZNDXGRFQWAHVFG-HNNXBMFYSA-N -1 0 367.361 0.502 50 0 biogenic FCAARM Cc1c(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)nn1C ZINC000002758712 487470327 /nfs/dbraw/zinc/47/03/27/487470327.db2.gz JPYGNUTTXKHNGF-RNCFNFMXSA-N -1 0 370.818 0.754 50 0 FCAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)NN2CCSCC2)cc1 ZINC000002584147 487470379 /nfs/dbraw/zinc/47/03/79/487470379.db2.gz UWTZQAATTMHYPZ-UHFFFAOYSA-N -1 0 358.445 0.597 50 0 FCAARM Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1C ZINC000004370782 487476764 /nfs/dbraw/zinc/47/67/64/487476764.db2.gz XMBLQZZURYLKIJ-UHFFFAOYSA-N -1 0 369.381 0.750 50 0 FCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC1CCCCC1 ZINC000004511887 487478429 /nfs/dbraw/zinc/47/84/29/487478429.db2.gz MEMBHURUESYFTM-ZDUSSCGKSA-N -1 0 354.403 0.834 50 0 FCAARM O=C([O-])CCCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC1CCCCC1 ZINC000004511886 487478889 /nfs/dbraw/zinc/47/88/89/487478889.db2.gz MEMBHURUESYFTM-CYBMUJFWSA-N -1 0 354.403 0.834 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(OCC)cc3)c(=O)c1-2 ZINC000005252601 487486755 /nfs/dbraw/zinc/48/67/55/487486755.db2.gz MSCKYIVSYZPZJI-HIFRSBDPSA-N -1 0 373.365 0.725 50 0 FCAARM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000006923559 487500279 /nfs/dbraw/zinc/50/02/79/487500279.db2.gz RDLVWYVCXIOWHV-GFCCVEGCSA-N -1 0 354.428 0.985 50 0 FCAARM CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@H]1CCCCN21 ZINC000009740427 487529042 /nfs/dbraw/zinc/52/90/42/487529042.db2.gz HYMBIMOYMUAZNF-CYBMUJFWSA-N -1 0 367.427 0.727 50 0 FCAARM Cn1c2nc(N3CCCc4ccccc43)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000017144401 487597067 /nfs/dbraw/zinc/59/70/67/487597067.db2.gz KDEFMPARZUBVHS-UHFFFAOYSA-N -1 0 355.354 0.592 50 0 biogenic FCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CCNC(=O)c1ccccc1F ZINC000055575423 488244109 /nfs/dbraw/zinc/24/41/09/488244109.db2.gz VZVYVLPFADUJLF-AWEZNQCLSA-N -1 0 360.345 0.707 50 0 FCAARM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccccn2)CN(C(=O)c2ccc[nH]2)C1 ZINC000072167186 488379015 /nfs/dbraw/zinc/37/90/15/488379015.db2.gz INGMKNCYNCZKDC-OLZOCXBDSA-N -1 0 356.382 0.889 50 0 FCAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCn2cncc2C1 ZINC000072170117 488379423 /nfs/dbraw/zinc/37/94/23/488379423.db2.gz FTRRGHYODOARBC-UHFFFAOYSA-N -1 0 351.384 0.723 50 0 FCAARM Cn1c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2nc1N1CCOCC1 ZINC000072425724 488380614 /nfs/dbraw/zinc/38/06/14/488380614.db2.gz ODPKUJUTUCPHOA-HNNXBMFYSA-N -1 0 374.397 0.336 50 0 FCAARM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)CCc3nnc(C)[nH]3)C2)CC1 ZINC000072432272 488380995 /nfs/dbraw/zinc/38/09/95/488380995.db2.gz JETRAFPGZMPFOX-ZDUSSCGKSA-N -1 0 363.418 0.360 50 0 FCAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1cnccn1)CCN(C(=O)C1CC1)CC2 ZINC000072432896 488381042 /nfs/dbraw/zinc/38/10/42/488381042.db2.gz PEUJPDVJGMGXDQ-CQSZACIVSA-N -1 0 358.398 0.795 50 0 FCAARM Cn1c(=O)c2nc(C(=O)NCc3nnn[n-]3)cn2cc1-c1ccc(F)cc1 ZINC000072453701 488381096 /nfs/dbraw/zinc/38/10/96/488381096.db2.gz NYOPTFNKXVXGSF-UHFFFAOYSA-N -1 0 368.332 0.282 50 0 FCAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 ZINC000072448060 488381195 /nfs/dbraw/zinc/38/11/95/488381195.db2.gz DZNCDNYBRPLPMP-KBXCAEBGSA-N -1 0 354.366 0.204 50 0 FCAARM CCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nnn[n-]1 ZINC000075107562 488395390 /nfs/dbraw/zinc/39/53/90/488395390.db2.gz RJZSVYMEFYMVSV-AAEUAGOBSA-N -1 0 356.390 0.277 50 0 FCAARM CSc1ccccc1CN1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077377269 488411863 /nfs/dbraw/zinc/41/18/63/488411863.db2.gz FKZMHHFLKMBWFY-UONOGXRCSA-N -1 0 370.496 0.776 50 0 FCAARM C[C@H](Oc1ccc(CN2CCN(CCS(C)(=O)=O)CC2)cc1)C(=O)[O-] ZINC000215536608 488440634 /nfs/dbraw/zinc/44/06/34/488440634.db2.gz DXJAHKLPSDFRCQ-AWEZNQCLSA-N -1 0 370.471 0.701 50 0 FCAARM O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1cccc2nonc21 ZINC000084445760 488450279 /nfs/dbraw/zinc/45/02/79/488450279.db2.gz 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O=C([O-])CNC(=O)Cn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000566105478 491417845 /nfs/dbraw/zinc/41/78/45/491417845.db2.gz RSRAKBAOHPZOII-UHFFFAOYSA-N -1 0 356.382 0.002 50 0 FCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 ZINC000582285503 491805529 /nfs/dbraw/zinc/80/55/29/491805529.db2.gz HUICWGCKHUVWHO-VIFPVBQESA-N -1 0 370.305 0.497 50 0 FCAARM CO[C@@H](CS(=O)(=O)[N-]c1cncc(N2CCCC2)n1)[C@@H]1CCOC1 ZINC000656735003 492648202 /nfs/dbraw/zinc/64/82/02/492648202.db2.gz ZDFTWQBBMLGCJH-OLZOCXBDSA-N -1 0 356.448 0.870 50 0 FCAARM CC1(C)COC[C@@H]1NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652096708 492879013 /nfs/dbraw/zinc/87/90/13/492879013.db2.gz NEOWUFNZIGBXOB-YPMHNXCESA-N -1 0 353.419 0.519 50 0 FCAARM COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)c1 ZINC000269192885 522867903 /nfs/dbraw/zinc/86/79/03/522867903.db2.gz OTLMPBDYJMEBCF-NEPJUHHUSA-N -1 0 362.382 0.990 50 0 FCAARM Cc1ccc(CN2CCN(Cc3cc(=O)n4nc[n-]c4n3)C[C@H]2CCO)o1 ZINC000106952422 524457323 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CCCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000002606995 219450775 /nfs/dbraw/zinc/45/07/75/219450775.db2.gz VPYUHAMUZLZGSH-UHFFFAOYSA-N -1 0 364.383 0.756 50 0 FCAARM COc1ccc(N2C[C@H](C(=O)N(C)CCC(=O)[O-])CC2=O)c(OC)c1 ZINC000262932870 209682140 /nfs/dbraw/zinc/68/21/40/209682140.db2.gz XXJWJWOQJAJAHZ-LLVKDONJSA-N -1 0 350.371 0.990 50 0 FCAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1 ZINC000299741921 211822636 /nfs/dbraw/zinc/82/26/36/211822636.db2.gz HUGDFCKDVBVCAM-AAEUAGOBSA-N -1 0 360.366 0.744 50 0 FCAARM CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC000299742853 211822057 /nfs/dbraw/zinc/82/20/57/211822057.db2.gz IXVULTYQUUTOIB-FZKQIMNGSA-N -1 0 359.382 0.919 50 0 FCAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000299741869 211821526 /nfs/dbraw/zinc/82/15/26/211821526.db2.gz HJIONPGNTGOYQG-SNVBAGLBSA-N -1 0 364.379 0.540 50 0 FCAARM COc1cccc(-n2c(O)c3[nH][n-]c(C(=O)OC[C@H]4CCCO4)c-3c2=O)c1 ZINC000016040552 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263330738 /nfs/dbraw/zinc/33/07/38/263330738.db2.gz ZTMHJTYYVVMHKP-UHFFFAOYSA-N -1 0 366.333 0.832 50 0 FCAARM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000426685441 263657971 /nfs/dbraw/zinc/65/79/71/263657971.db2.gz TUTQLXMLXOJOKJ-GFCCVEGCSA-N -1 0 373.369 0.256 50 0 FCAARM CS(=O)(=O)N1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000299740975 488871028 /nfs/dbraw/zinc/87/10/28/488871028.db2.gz CNNMNMKFFVWQJK-IHRRRGAJSA-N -1 0 358.460 0.902 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000299748637 488871100 /nfs/dbraw/zinc/87/11/00/488871100.db2.gz HTFGMSNGAAOSNY-CYBMUJFWSA-N -1 0 354.384 0.152 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000299742469 488871450 /nfs/dbraw/zinc/87/14/50/488871450.db2.gz JLLQSKBAJZYEFF-KBPBESRZSA-N -1 0 354.428 0.470 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Cl)cnn3C)[C@@H]2SC1 ZINC000002752044 487470389 /nfs/dbraw/zinc/47/03/89/487470389.db2.gz 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/nfs/dbraw/zinc/38/13/95/488381395.db2.gz WUCDCFVAXUZMBF-NSHDSACASA-N -1 0 373.394 0.851 50 0 FCAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)c1 ZINC000075874141 488399937 /nfs/dbraw/zinc/39/99/37/488399937.db2.gz DUAWNFSNPQJSOR-UHFFFAOYSA-N -1 0 350.356 0.841 50 0 FCAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OC ZINC000219917474 488444934 /nfs/dbraw/zinc/44/49/34/488444934.db2.gz ANESDEYLZWJFQL-DGCLKSJQSA-N -1 0 359.400 0.405 50 0 FCAARM CCc1ccc(-c2c(-c3c([O-])n(C)c(=O)n(C)c3=O)[nH]c(=O)n2C)cc1 ZINC000238950684 488459069 /nfs/dbraw/zinc/45/90/69/488459069.db2.gz ZHZXVMAPAKRPNA-UHFFFAOYSA-N -1 0 356.382 0.713 50 0 FCAARM CN(c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1)S(C)(=O)=O ZINC000244584403 488460697 /nfs/dbraw/zinc/46/06/97/488460697.db2.gz CYSIJSWRKZCLKA-CYBMUJFWSA-N -1 0 356.400 0.398 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)NC2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091452572 488464047 /nfs/dbraw/zinc/46/40/47/488464047.db2.gz SHADEBPEVWEGKM-KGLIPLIRSA-N -1 0 373.475 0.287 50 0 FCAARM COc1ccccc1[C@@H]1CN(C(=O)C(=O)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC000091974126 488472662 /nfs/dbraw/zinc/47/26/62/488472662.db2.gz IYCGXWHVFOCSIS-UONOGXRCSA-N -1 0 362.382 0.181 50 0 FCAARM O=C([O-])[C@H](NC(=O)CN1C(=O)CNC1=O)c1ccccc1C(F)(F)F ZINC000095358723 488481103 /nfs/dbraw/zinc/48/11/03/488481103.db2.gz ORIBDMNYMUJZSE-LLVKDONJSA-N -1 0 359.260 0.499 50 0 FCAARM O=C([O-])[C@]12CN(C(=O)CCN3CCOCC3)C[C@H]1COc1ccccc1C2 ZINC000095368648 488481655 /nfs/dbraw/zinc/48/16/55/488481655.db2.gz BJMAMVVIXPAGNQ-OXJNMPFZSA-N -1 0 374.437 0.873 50 0 FCAARM Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095372079 488482154 /nfs/dbraw/zinc/48/21/54/488482154.db2.gz RCHWPDWFMNXXNS-LBPRGKRZSA-N -1 0 370.402 0.878 50 0 FCAARM Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1=O ZINC000095379507 488482781 /nfs/dbraw/zinc/48/27/81/488482781.db2.gz JSNJDMZGYOPJJN-AWEZNQCLSA-N -1 0 371.393 0.721 50 0 FCAARM COc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cc1 ZINC000095387229 488483293 /nfs/dbraw/zinc/48/32/93/488483293.db2.gz VKYAJHXGKNHECO-CQSZACIVSA-N -1 0 361.398 0.960 50 0 FCAARM CCOC(=O)N1CCC(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)CC1 ZINC000095470252 488484607 /nfs/dbraw/zinc/48/46/07/488484607.db2.gz VVSWKMURGHVMHN-UHFFFAOYSA-N -1 0 351.359 0.284 50 0 FCAARM O=C([O-])[C@]12CN(C(=O)CN3CCOC3=O)C[C@H]1COc1ccccc1C2 ZINC000095498815 488485246 /nfs/dbraw/zinc/48/52/46/488485246.db2.gz ZIGGDKVMOWKWMQ-SCLBCKFNSA-N -1 0 360.366 0.603 50 0 FCAARM COc1ccc(C(=O)NCc2nnn[n-]2)cc1OC1CCN(C(C)=O)CC1 ZINC000095498789 488485313 /nfs/dbraw/zinc/48/53/13/488485313.db2.gz WRXLLFAYNPWLKF-UHFFFAOYSA-N -1 0 374.401 0.528 50 0 FCAARM CS(=O)(=O)CC[C@H](NC(=O)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000095512801 488485913 /nfs/dbraw/zinc/48/59/13/488485913.db2.gz RCWMKBLSAOGASL-ZDUSSCGKSA-N -1 0 351.384 0.490 50 0 FCAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000095940926 488487799 /nfs/dbraw/zinc/48/77/99/488487799.db2.gz NQSWFRALGFJKHJ-UHFFFAOYSA-N -1 0 360.347 0.998 50 0 FCAARM COCCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262102470 488550496 /nfs/dbraw/zinc/55/04/96/488550496.db2.gz IZFDUCMKSOKQOH-CQSZACIVSA-N -1 0 370.427 0.691 50 0 FCAARM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262924976 488599654 /nfs/dbraw/zinc/59/96/54/488599654.db2.gz FNJLCVIIZNORIE-KBPBESRZSA-N -1 0 363.349 0.216 50 0 FCAARM CCOc1ccccc1[C@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)NC(C)=O ZINC000262992816 488602088 /nfs/dbraw/zinc/60/20/88/488602088.db2.gz OOAYHVOJFUYFTP-HOCLYGCPSA-N -1 0 364.398 0.965 50 0 FCAARM Cn1cc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)c(=O)n(C)c1=O ZINC000330682691 489132441 /nfs/dbraw/zinc/13/24/41/489132441.db2.gz QKECGTCWRXRIDP-UHFFFAOYSA-N -1 0 372.472 0.930 50 0 FCAARM Cn1c([O-])c(C2NC(=O)N=C2c2ccc3c(c2)OCO3)c(=O)n(C)c1=O ZINC000604404115 492060337 /nfs/dbraw/zinc/06/03/37/492060337.db2.gz JSUOYIGPSASSDB-UHFFFAOYSA-N -1 0 358.310 0.645 50 0 biogenic FCAARM Cn1cc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c(C(F)(F)F)n1 ZINC000629309505 492606850 /nfs/dbraw/zinc/60/68/50/492606850.db2.gz RRXDLGGXWMQHTF-YFKPBYRVSA-N -1 0 363.264 0.922 50 0 FCAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)Cc3cn4c(n3)CCCC4)C2)nn1 ZINC000652073502 492874940 /nfs/dbraw/zinc/87/49/40/492874940.db2.gz HMOIOIRJLKSDMH-CYBMUJFWSA-N -1 0 358.402 0.915 50 0 FCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2cc(C)cc(F)c2)CCO1 ZINC000681941868 493253492 /nfs/dbraw/zinc/25/34/92/493253492.db2.gz HZOQJUPWBFTEEB-OAHLLOKOSA-N -1 0 352.362 0.908 50 0 FCAARM CCOc1ccccc1N1C[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])CC1=O ZINC000268975810 521518864 /nfs/dbraw/zinc/51/88/64/521518864.db2.gz JOTCYQPHTCJNNX-JSGCOSHPSA-N -1 0 362.382 0.750 50 0 FCAARM CCOc1ccccc1[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])NC(C)=O ZINC000299748834 521575713 /nfs/dbraw/zinc/57/57/13/521575713.db2.gz IJVYJECVXITPTM-CABCVRRESA-N -1 0 364.398 0.965 50 0 FCAARM CNS(=O)(=O)c1cc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)ccc1OC ZINC000268947028 522255771 /nfs/dbraw/zinc/25/57/71/522255771.db2.gz NFDCUKBZBAQDDH-XBXARRHUSA-N -1 0 368.411 0.692 50 0 FCAARM O=C([O-])[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000269216562 526326214 /nfs/dbraw/zinc/32/62/14/526326214.db2.gz YLQKMKGPZDVALF-SGTLLEGYSA-N -1 0 357.366 0.313 50 0 FCAARM CCOc1ccc(-n2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2C)nn1 ZINC000408513379 528360111 /nfs/dbraw/zinc/36/01/11/528360111.db2.gz VDAVTSCYUCUAFN-LBPRGKRZSA-N -1 0 361.358 0.295 50 0 FCAARM CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2S1(=O)=O ZINC000262084673 528955179 /nfs/dbraw/zinc/95/51/79/528955179.db2.gz FBBXAWMVLZXNAW-GFCCVEGCSA-N -1 0 354.384 0.690 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)CCO1 ZINC000262892064 571351253 /nfs/dbraw/zinc/35/12/53/571351253.db2.gz AKQACRLWNJCGOU-INIZCTEOSA-N -1 0 356.378 0.811 50 0 FCAARM O=C([O-])[C@@]12CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]1COCC2 ZINC001772708055 1181689681 /nfs/dbraw/zinc/68/96/81/1181689681.db2.gz CPVRXSVSAWDCNE-BZNIZROVSA-N -1 0 352.366 0.380 50 0 FCAARM O=C([O-])[C@@]12CN(S(=O)(=O)c3cccc4c3OCCO4)C[C@@H]1COCC2 ZINC001772707676 1181692279 /nfs/dbraw/zinc/69/22/79/1181692279.db2.gz SRXZPDPHWDQBMH-BZNIZROVSA-N -1 0 369.395 0.570 50 0 FCAARM Cc1ncc(CC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)c(=O)[nH]1 ZINC000067975757 1216711248 /nfs/dbraw/zinc/71/12/48/1216711248.db2.gz IYRILWCTNLFBCJ-UHFFFAOYSA-N -1 0 371.397 0.510 50 0 FCAARM CN(C)S(=O)(=O)C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@H]1O ZINC001529167287 1267038129 /nfs/dbraw/zinc/03/81/29/1267038129.db2.gz IBZIZGLUYFHHIB-GXSJLCMTSA-N -1 0 363.823 0.122 50 0 FCAARM CCC[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccsc3C(=O)[O-])C[C@]2(CO)C1 ZINC001772810870 1290902072 /nfs/dbraw/zinc/90/20/72/1290902072.db2.gz QBJIZWKLGIMBOR-ABAIWWIYSA-N -1 0 374.484 0.771 50 0 FCAARM CC(C)CN1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C)C1=O ZINC001506408791 962760347 /nfs/dbraw/zinc/76/03/47/962760347.db2.gz PZLTUSFGTASQHM-LBPRGKRZSA-N -1 0 361.464 0.217 50 0 FCAARM CN1CC(=O)N(CCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299742998 210224068 /nfs/dbraw/zinc/22/40/68/210224068.db2.gz LJJPGYTXXYTUSU-UPJWGTAASA-N -1 0 351.403 0.905 50 0 FCAARM Cc1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)ccc1Br ZINC000225391041 210176541 /nfs/dbraw/zinc/17/65/41/210176541.db2.gz ZKYYSWHGUJBBLO-UHFFFAOYSA-N -1 0 362.205 0.955 50 0 FCAARM NS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2OCC(=O)[O-])CC1 ZINC000215955582 222656427 /nfs/dbraw/zinc/65/64/27/222656427.db2.gz YZTFUAKNMNXSRQ-UHFFFAOYSA-N -1 0 363.823 0.125 50 0 FCAARM Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)ccc1=O ZINC000219286202 222697425 /nfs/dbraw/zinc/69/74/25/222697425.db2.gz WAGMPXAJYCIBSM-UKRRQHHQSA-N -1 0 373.365 0.445 50 0 FCAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C1CCN(C(=O)C2CCCC2)CC1 ZINC000095521391 210086622 /nfs/dbraw/zinc/08/66/22/210086622.db2.gz USGCLMSTELTFFR-OAHLLOKOSA-N -1 0 362.430 0.950 50 0 FCAARM Cc1cc(Cl)c(S(=O)(=O)N(C)CC(=O)[O-])cc1OCC(N)=O ZINC000003889992 210080504 /nfs/dbraw/zinc/08/05/04/210080504.db2.gz JBIFRJOGURZQCO-UHFFFAOYSA-N -1 0 350.780 0.218 50 0 FCAARM CO[C@]12CCN(C(=O)c3n[nH]c(=O)[n-]3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299778558 210023078 /nfs/dbraw/zinc/02/30/78/210023078.db2.gz MWHCAYPDSCKRII-NVGCLXPQSA-N -1 0 359.386 0.724 50 0 FCAARM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262924984 209682413 /nfs/dbraw/zinc/68/24/13/209682413.db2.gz FNJLCVIIZNORIE-UONOGXRCSA-N -1 0 363.349 0.216 50 0 FCAARM C[C@@H](O)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-] ZINC000012883664 220038467 /nfs/dbraw/zinc/03/84/67/220038467.db2.gz LZBURFZSWMUWSF-JDSYJXLJSA-N -1 0 364.423 0.985 50 0 biogenic FCAARM O=C(NCc1cccnc1-n1cccn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000048250590 211862871 /nfs/dbraw/zinc/86/28/71/211862871.db2.gz AYKFADIOPPBZBM-UHFFFAOYSA-N -1 0 363.337 0.534 50 0 FCAARM CC(C)Cn1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc2c1=O ZINC000299747440 211826441 /nfs/dbraw/zinc/82/64/41/211826441.db2.gz DADAHNDDENDPKS-CQSZACIVSA-N -1 0 359.382 0.978 50 0 FCAARM CCO[N-]C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000022874240 211368004 /nfs/dbraw/zinc/36/80/04/211368004.db2.gz DQGMENWGJXXGRC-AWEZNQCLSA-N -1 0 358.416 0.828 50 0 FCAARM CCOC(=O)CCc1c(C)nc(-n2[n-]c(C)c(CCO)c2=O)[nH]c1=O ZINC000015986864 211151828 /nfs/dbraw/zinc/15/18/28/211151828.db2.gz HTJHAZFKQFXCLI-UHFFFAOYSA-N -1 0 350.375 0.309 50 0 FCAARM C[C@@H]1CN(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)C[C@H](C)O1 ZINC000013109957 211023662 /nfs/dbraw/zinc/02/36/62/211023662.db2.gz LYBBCHZAXPIHQP-TXEJJXNPSA-N -1 0 370.427 0.851 50 0 FCAARM Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000012900450 211005698 /nfs/dbraw/zinc/00/56/98/211005698.db2.gz PAZDWXRCHZQMKK-JTQLQIEISA-N -1 0 362.338 0.186 50 0 biogenic FCAARM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCC(=O)[O-] ZINC000005322383 210614277 /nfs/dbraw/zinc/61/42/77/210614277.db2.gz QGNJOQFKKKQZNB-WDEREUQCSA-N -1 0 365.361 0.274 50 0 FCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1sccc1Br ZINC000088376574 208118847 /nfs/dbraw/zinc/11/88/47/208118847.db2.gz JSDWOEWVNONUMA-ZETCQYMHSA-N -1 0 356.219 0.985 50 0 FCAARM CCn1ncc(Cl)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12 ZINC000002784406 210423636 /nfs/dbraw/zinc/42/36/36/210423636.db2.gz QMQHXUBFNWSOKQ-ISVAXAHUSA-N -1 0 370.818 0.929 50 0 FCAARM O=C([O-])c1ccc(S(=O)(=O)N2CCOCCOCCOCC2)cc1 ZINC000002446552 210399372 /nfs/dbraw/zinc/39/93/72/210399372.db2.gz LWSHYGFBOUZOIL-UHFFFAOYSA-N -1 0 359.400 0.439 50 0 FCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1nnc2ccccc2c1=O ZINC000002356579 210393617 /nfs/dbraw/zinc/39/36/17/210393617.db2.gz QIHLOZKDGGJUSG-INIZCTEOSA-N -1 0 366.377 0.994 50 0 FCAARM CSCC[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002200834 210384019 /nfs/dbraw/zinc/38/40/19/210384019.db2.gz ZQQUZQLXTIQAEK-ZDUSSCGKSA-N -1 0 364.427 0.894 50 0 FCAARM O=C([O-])[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000009319665 210269269 /nfs/dbraw/zinc/26/92/69/210269269.db2.gz MIELMRRMRQVLQY-HNNXBMFYSA-N -1 0 353.334 0.632 50 0 biogenic FCAARM O=C([O-])[C@@]12CN(C(=O)Cc3ccccn3)C[C@@H]1CN(c1ncccn1)C2 ZINC000065372752 221205417 /nfs/dbraw/zinc/20/54/17/221205417.db2.gz LJKJZIWJYVJBHB-FZKQIMNGSA-N -1 0 353.382 0.464 50 0 FCAARM Cc1ccccc1[C@H]1[C@@H](C(=O)NCc2n[nH]c(=O)[n-]2)C[C@@](C)(C(=O)[O-])[N@@H+]1C ZINC000067562183 221259905 /nfs/dbraw/zinc/25/99/05/221259905.db2.gz ABLUIPMCHWDQPS-YEWDVWPNSA-N -1 0 373.413 0.559 50 0 FCAARM CO[C@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2CCO)C1)c1ccccc1 ZINC000067850731 221295495 /nfs/dbraw/zinc/29/54/95/221295495.db2.gz PXUXGSULMHKXTC-INIZCTEOSA-N -1 0 359.382 0.846 50 0 FCAARM CN1CCN2CCN(c3nccc(-c4cc(C(=O)[O-])ccn4)n3)C[C@@H]2C1=O ZINC000077541829 132189325 /nfs/dbraw/zinc/18/93/25/132189325.db2.gz SKGNMOOWELZSQS-OAHLLOKOSA-N -1 0 368.397 0.199 50 0 FCAARM Cc1nc(CC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)cs1 ZINC000092097384 221838044 /nfs/dbraw/zinc/83/80/44/221838044.db2.gz XYQVAIJDHVMUAU-LBPRGKRZSA-N -1 0 351.428 0.918 50 0 FCAARM CNC(=O)C1(NC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)CCCCC1 ZINC000096164159 222063448 /nfs/dbraw/zinc/06/34/48/222063448.db2.gz PGQHIXYIEFKKNX-UHFFFAOYSA-N -1 0 358.398 0.922 50 0 FCAARM CN(Cc1cc(-c2ncccn2)ccc1OCC(=O)[O-])[C@H]1COC[C@@H]1O ZINC000097642353 222201906 /nfs/dbraw/zinc/20/19/06/222201906.db2.gz OMRLXYUGUWUDGI-GJZGRUSLSA-N -1 0 359.382 0.799 50 0 FCAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCc2c([n-]n(CCO)c2=O)C1 ZINC000097785275 222213437 /nfs/dbraw/zinc/21/34/37/222213437.db2.gz SZYJRZFFKBSGGF-UHFFFAOYSA-N -1 0 370.413 0.335 50 0 FCAARM C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000098031697 222220876 /nfs/dbraw/zinc/22/08/76/222220876.db2.gz AFRGIWICJULDKF-GHMZBOCLSA-N -1 0 358.391 0.816 50 0 FCAARM COC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000101092073 222262069 /nfs/dbraw/zinc/26/20/69/222262069.db2.gz CNDSWJGYIOTWMA-YPMHNXCESA-N -1 0 363.757 0.898 50 0 FCAARM COCCNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002975291 263327276 /nfs/dbraw/zinc/32/72/76/263327276.db2.gz NWKNJEVRWFBAGP-UHFFFAOYSA-N -1 0 351.384 0.940 50 0 FCAARM CCOc1ccccc1[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])NC(C)=O ZINC000299748837 488871200 /nfs/dbraw/zinc/87/12/00/488871200.db2.gz IJVYJECVXITPTM-LSDHHAIUSA-N -1 0 364.398 0.965 50 0 FCAARM CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299753735 488871744 /nfs/dbraw/zinc/87/17/44/488871744.db2.gz ZEAFXPFYMPMBNK-KGLIPLIRSA-N -1 0 355.412 0.344 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)CCO1 ZINC000299750363 488871823 /nfs/dbraw/zinc/87/18/23/488871823.db2.gz NGFJECNRVHVGEE-AWEZNQCLSA-N -1 0 350.346 0.807 50 0 FCAARM C[C@@H]1Cc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000299753366 488872114 /nfs/dbraw/zinc/87/21/14/488872114.db2.gz XZJJHPYPKTVNJK-QMTHXVAHSA-N -1 0 368.411 0.323 50 0 FCAARM CCn1ncc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c1C ZINC000002747766 487470318 /nfs/dbraw/zinc/47/03/18/487470318.db2.gz FIUJGVUMNGDCKC-QMTHXVAHSA-N -1 0 350.400 0.584 50 0 biogenic,in-vitro FCAARM 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488234996 /nfs/dbraw/zinc/23/49/96/488234996.db2.gz DIZJGUNMVZFUOV-UHFFFAOYSA-N -1 0 367.413 0.703 50 0 FCAARM O=C([O-])[C@H]1C[C@@H](C(=O)NC2CC2)CN(C(=O)c2cnn3c2CCCC3)C1 ZINC000072169561 488379189 /nfs/dbraw/zinc/37/91/89/488379189.db2.gz IHASCVCIPDZUFU-NEPJUHHUSA-N -1 0 360.414 0.661 50 0 FCAARM Cc1nc(C)c(CC(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c(=O)[nH]1 ZINC000072479912 488382001 /nfs/dbraw/zinc/38/20/01/488382001.db2.gz KAXWAOSBINMNNO-UHFFFAOYSA-N -1 0 359.386 0.228 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)Cn1ccnc1-c1ccccc1 ZINC000218126198 488442733 /nfs/dbraw/zinc/44/27/33/488442733.db2.gz XWOOFEBWEKRAMF-HUUCEWRRSA-N -1 0 359.382 0.925 50 0 FCAARM Cc1nc(NC(=O)CN2C[C@H]3CCC[C@@H](C2)NC3=O)sc1C(=O)[O-] ZINC000244708328 488461473 /nfs/dbraw/zinc/46/14/73/488461473.db2.gz KRSKCOUJYBVJPB-ZJUUUORDSA-N -1 0 352.416 0.689 50 0 FCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(S(=O)(=O)c1cccnc1)CC2 ZINC000091830138 488470634 /nfs/dbraw/zinc/47/06/34/488470634.db2.gz SNAHWFLJWMQNHG-GFCCVEGCSA-N -1 0 353.400 0.168 50 0 FCAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000269123453 488471589 /nfs/dbraw/zinc/47/15/89/488471589.db2.gz VUHUGFRPYJLQIX-DGCLKSJQSA-N -1 0 360.366 0.886 50 0 FCAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C(=O)N1CCOCC1)CC2 ZINC000091973869 488472181 /nfs/dbraw/zinc/47/21/81/488472181.db2.gz NSDFRZHHVHPAGD-ZDUSSCGKSA-N -1 0 353.419 0.616 50 0 FCAARM Cn1nc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)ccc1=O ZINC000095361029 488481287 /nfs/dbraw/zinc/48/12/87/488481287.db2.gz GNKZMVDVRMHETL-ORAYPTAESA-N -1 0 369.377 0.558 50 0 FCAARM Cc1nn(CC(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c(C)c1C ZINC000095378669 488482670 /nfs/dbraw/zinc/48/26/70/488482670.db2.gz JIYDYXCCVNQQSD-AWEZNQCLSA-N -1 0 362.430 0.732 50 0 FCAARM Cc1cc(N)n(CC(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)[O-])C2)n1 ZINC000095500632 488485221 /nfs/dbraw/zinc/48/52/21/488485221.db2.gz LSLQEXCJNLDBRH-IFXJQAMLSA-N -1 0 370.409 0.938 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000095970617 488487787 /nfs/dbraw/zinc/48/77/87/488487787.db2.gz JVRJACDJFFPYDD-TZMCWYRMSA-N -1 0 354.428 0.985 50 0 FCAARM CON(C)S(=O)(=O)c1cccc(C(=O)NCCSCC(=O)[O-])c1 ZINC000095970665 488487843 /nfs/dbraw/zinc/48/78/43/488487843.db2.gz WLVXHKAUXCOTBC-UHFFFAOYSA-N -1 0 362.429 0.416 50 0 FCAARM Cc1cc2nc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)cc(=O)n2[n-]1 ZINC000102173004 488497570 /nfs/dbraw/zinc/49/75/70/488497570.db2.gz MPEGXJURNQDAKS-UHFFFAOYSA-N -1 0 370.413 0.951 50 0 FCAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCOCC2)C3)c1 ZINC000252499415 488518281 /nfs/dbraw/zinc/51/82/81/488518281.db2.gz SAHOQXDXDDMKPD-UHFFFAOYSA-N -1 0 370.409 0.992 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CCO1 ZINC000262064153 488548822 /nfs/dbraw/zinc/54/88/22/488548822.db2.gz HONFWHRRZBLIBJ-NSHDSACASA-N -1 0 351.750 0.306 50 0 FCAARM CC(=O)N1CCc2cc(S(=O)(=O)N3CCOC[C@H]3C(=O)[O-])ccc21 ZINC000274953585 488747824 /nfs/dbraw/zinc/74/78/24/488747824.db2.gz AOPAVVJJHCJZKM-AWEZNQCLSA-N -1 0 354.384 0.070 50 0 FCAARM Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)c(F)c1 ZINC000361981088 489370751 /nfs/dbraw/zinc/37/07/51/489370751.db2.gz ILEVGQTYQNXCCL-SMDDNHRTSA-N -1 0 350.346 0.799 50 0 FCAARM Cc1cnc(C)c(N2CCN(C(=O)NC3(C(=O)[O-])CCOCC3)CC2)n1 ZINC000426389246 489565754 /nfs/dbraw/zinc/56/57/54/489565754.db2.gz JQENFCDYUSXIEF-UHFFFAOYSA-N -1 0 363.418 0.559 50 0 FCAARM O=C([O-])C1(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000426436803 489567406 /nfs/dbraw/zinc/56/74/06/489567406.db2.gz WWIVHOOJCJWAKA-ZDUSSCGKSA-N -1 0 365.361 0.642 50 0 FCAARM Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)n1 ZINC000426435435 489567724 /nfs/dbraw/zinc/56/77/24/489567724.db2.gz QQXQPCMDXOXAAL-CYBMUJFWSA-N -1 0 359.386 0.239 50 0 FCAARM Cn1nccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000408476038 490345317 /nfs/dbraw/zinc/34/53/17/490345317.db2.gz JDHOQCMQTRBMNH-LLVKDONJSA-N -1 0 354.432 0.406 50 0 FCAARM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000583650642 491849416 /nfs/dbraw/zinc/84/94/16/491849416.db2.gz XTCZTYUQHGYJCP-GFCCVEGCSA-N -1 0 362.386 0.356 50 0 FCAARM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000583650643 491849449 /nfs/dbraw/zinc/84/94/49/491849449.db2.gz XTCZTYUQHGYJCP-LBPRGKRZSA-N -1 0 362.386 0.356 50 0 FCAARM O=C([O-])CN(C(=O)Cn1nnnc1-c1ccsc1)C1CCOCC1 ZINC000647733468 492352629 /nfs/dbraw/zinc/35/26/29/492352629.db2.gz CVSDTAGUTGRALB-UHFFFAOYSA-N -1 0 351.388 0.494 50 0 FCAARM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000670453075 493569183 /nfs/dbraw/zinc/56/91/83/493569183.db2.gz JREQLPLRILXSQG-LBPRGKRZSA-N -1 0 373.475 0.409 50 0 FCAARM CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000262600591 522285331 /nfs/dbraw/zinc/28/53/31/522285331.db2.gz YLLNWECHGVCVKR-CQSZACIVSA-N -1 0 354.428 0.993 50 0 FCAARM CS(=O)(=O)N1CCCc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])ccc21 ZINC000262558164 525172185 /nfs/dbraw/zinc/17/21/85/525172185.db2.gz YUAUVQLNZMDQHO-AWEZNQCLSA-N -1 0 368.411 0.324 50 0 FCAARM C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1=O ZINC000269049737 525613423 /nfs/dbraw/zinc/61/34/23/525613423.db2.gz UZJWUUJDKJHMLO-STQMWFEESA-N -1 0 362.382 0.893 50 0 FCAARM Cc1cc(=O)c(C(=O)N2CCOC[C@H]2C(=O)[O-])nn1-c1ccccc1F ZINC000262409493 526128893 /nfs/dbraw/zinc/12/88/93/526128893.db2.gz BDKGJQPPWIYYGT-ZDUSSCGKSA-N -1 0 361.329 0.606 50 0 FCAARM Cc1nc2ncc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)c(=O)n2[n-]1 ZINC000215525383 527202112 /nfs/dbraw/zinc/20/21/12/527202112.db2.gz UOXHXJDXMKXZBO-CQSZACIVSA-N -1 0 368.397 0.942 50 0 FCAARM Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(C(=O)[O-])o3)CCC(=O)N2C)cn1 ZINC000268907342 527324923 /nfs/dbraw/zinc/32/49/23/527324923.db2.gz PHFTZVBSPPYLNQ-WFASDCNBSA-N -1 0 360.370 0.937 50 0 FCAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2F)CCO1 ZINC000262425594 527630606 /nfs/dbraw/zinc/63/06/06/527630606.db2.gz HOCZSOBVYGWAFD-LLVKDONJSA-N -1 0 351.334 0.671 50 0 FCAARM CC1(C)S[C@@H]([C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C(=O)[O-])N[C@H]1C(=O)[O-] ZINC000034648375 546508480 /nfs/dbraw/zinc/50/84/80/546508480.db2.gz KDAWOPKDXRJNHV-DCQANWLSSA-N -1 0 367.427 0.150 50 0 FCAARM O=C(c1cnc(-c2cccnc2)nc1)N1CCc2c(=O)n(CCO)[n-]c2C1 ZINC000095372368 570456711 /nfs/dbraw/zinc/45/67/11/570456711.db2.gz ZSGNHQIEFCCAHO-UHFFFAOYSA-N -1 0 366.381 0.219 50 0 FCAARM O=C([O-])C[C@@H]1S/C(=N/N=Cc2ccc(N3CCOCC3)cc2)NC1=O ZINC000245265023 664470708 /nfs/dbraw/zinc/47/07/08/664470708.db2.gz FSEJBKICUFFJRC-ZDUSSCGKSA-N -1 0 362.411 0.919 50 0 FCAARM NC(=O)NCCC[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000098038001 674637624 /nfs/dbraw/zinc/63/76/24/674637624.db2.gz CZTTXLRKGQRCMB-LBPRGKRZSA-N -1 0 350.350 0.798 50 0 FCAARM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCN(C)CC2)c1OC ZINC000008324948 673728261 /nfs/dbraw/zinc/72/82/61/673728261.db2.gz DTAWOBIAVOGVLM-SNAWJCMRSA-N -1 0 370.427 0.738 50 0 FCAARM Nc1n[nH]c(CCC(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)n1 ZINC000067756881 1192471846 /nfs/dbraw/zinc/47/18/46/1192471846.db2.gz AVKXQQSVUQGEPZ-UHFFFAOYSA-N -1 0 359.390 0.209 50 0 FCAARM CCn1nccc1N1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1=O ZINC000952876032 1206212458 /nfs/dbraw/zinc/21/24/58/1206212458.db2.gz MHYMNZGKTNDEAN-ZDUSSCGKSA-N -1 0 357.370 0.922 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC[C@@H](CNC(=O)c2ccccn2)C1 ZINC000952969361 1206215675 /nfs/dbraw/zinc/21/56/75/1206215675.db2.gz AANRQFUNGRIFBQ-LBPRGKRZSA-N -1 0 371.397 0.494 50 0 FCAARM C[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1n[nH]c(CC(=O)[O-])n1 ZINC000952967121 1206217337 /nfs/dbraw/zinc/21/73/37/1206217337.db2.gz JLKRTNBHVITMOU-LLVKDONJSA-N -1 0 359.386 0.504 50 0 FCAARM CC(C)CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)[C@@H](C)C1=O ZINC001506398348 1264316124 /nfs/dbraw/zinc/31/61/24/1264316124.db2.gz LHZVXMHEQAANKW-NSHDSACASA-N -1 0 370.427 0.968 50 0 FCAARM Cc1ncnc(N2CCN(CC(=O)NCc3ccc(C(=O)[O-])o3)CC2)c1C ZINC001529110052 1267027409 /nfs/dbraw/zinc/02/74/09/1267027409.db2.gz JZIYFDZSVLDDFV-UHFFFAOYSA-N -1 0 373.413 0.823 50 0 FCAARM CNC(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000072148022 835997899 /nfs/dbraw/zinc/99/78/99/835997899.db2.gz KGRIGFUSMIYOAN-LLVKDONJSA-N -1 0 357.388 0.302 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000606440971 836091788 /nfs/dbraw/zinc/09/17/88/836091788.db2.gz AIOYOPGYBHYZEW-XURPKSDJSA-N -1 0 352.412 0.931 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000606440988 836091847 /nfs/dbraw/zinc/09/18/47/836091847.db2.gz CZRKBTLSQYCZCR-KQQSKNTNSA-N -1 0 352.412 0.931 50 0 FCAARM CC(C)C(=O)N1CCC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000828479688 836540085 /nfs/dbraw/zinc/54/00/85/836540085.db2.gz VTCPXVPRPHQZIB-ZDUSSCGKSA-N -1 0 361.464 0.264 50 0 FCAARM CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000006907160 210232182 /nfs/dbraw/zinc/23/21/82/210232182.db2.gz VGVCTAXLJZOGTJ-KBPBESRZSA-N -1 0 359.382 0.963 50 0 biogenic FCAARM Cc1nonc1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000218459542 222682116 /nfs/dbraw/zinc/68/21/16/222682116.db2.gz LKCXDCATQWCLPY-UKRRQHHQSA-N -1 0 361.354 0.971 50 0 FCAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCn2cncn2)cc1 ZINC000222725773 222747466 /nfs/dbraw/zinc/74/74/66/222747466.db2.gz YLYSISUBFZNASO-HUUCEWRRSA-N -1 0 360.370 0.719 50 0 FCAARM Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262924980 209682218 /nfs/dbraw/zinc/68/22/18/209682218.db2.gz FNJLCVIIZNORIE-KGLIPLIRSA-N -1 0 363.349 0.216 50 0 FCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000004090271 219541434 /nfs/dbraw/zinc/54/14/34/219541434.db2.gz WYKMLHCHJWMDNM-GJZGRUSLSA-N -1 0 371.393 0.841 50 0 biogenic FCAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004393813 219574333 /nfs/dbraw/zinc/57/43/33/219574333.db2.gz AAPPOHWJHZRCNH-KHPPLWFESA-N -1 0 354.384 0.677 50 0 FCAARM CC(=O)N(C)[C@@H]1CCN(C(=O)CSc2nn3c([n-]2)nc(C)cc3=O)C1 ZINC000055393638 211948299 /nfs/dbraw/zinc/94/82/99/211948299.db2.gz ZSBZRVAZENJIFW-LLVKDONJSA-N -1 0 364.431 0.310 50 0 FCAARM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000014118716 211075626 /nfs/dbraw/zinc/07/56/26/211075626.db2.gz QDBIAYALPPTWLP-FZMZJTMJSA-N -1 0 372.443 0.589 50 0 FCAARM O=C([O-])CCCNC(=O)NCC1=N[C@@H]2C(=CNN2c2ccccc2)C(=O)N1 ZINC000013689724 211051004 /nfs/dbraw/zinc/05/10/04/211051004.db2.gz HVWJCHWXPLEGOA-DOMZBBRYSA-N -1 0 372.385 0.127 50 0 FCAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000269123456 210914695 /nfs/dbraw/zinc/91/46/95/210914695.db2.gz VUHUGFRPYJLQIX-WCQYABFASA-N -1 0 360.366 0.886 50 0 FCAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000002200816 210383348 /nfs/dbraw/zinc/38/33/48/210383348.db2.gz HXBAZAGNVYQNJL-HNNXBMFYSA-N -1 0 368.349 0.309 50 0 FCAARM COC(=O)c1cc(NC(=O)c2c(C(=O)[O-])cnn2C)cc(C(=O)OC)c1 ZINC000020614399 220335957 /nfs/dbraw/zinc/33/59/57/220335957.db2.gz CAHLQYDTILSBHV-UHFFFAOYSA-N -1 0 361.310 0.944 50 0 FCAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(=O)n(C)ncn3c2)c1 ZINC000065246754 221187084 /nfs/dbraw/zinc/18/70/84/221187084.db2.gz IMLJSDGAHONRFH-UHFFFAOYSA-N -1 0 364.383 0.851 50 0 FCAARM C[C@@H](NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)c1n[nH]c(=O)[n-]1 ZINC000067588842 221260515 /nfs/dbraw/zinc/26/05/15/221260515.db2.gz JTAFOIRJTVDMLB-MRVPVSSYSA-N -1 0 373.325 0.885 50 0 FCAARM CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CSCC2)C(=O)[O-] ZINC000071281329 221338328 /nfs/dbraw/zinc/33/83/28/221338328.db2.gz CKRJGMKCMAHFPR-NSHDSACASA-N -1 0 357.457 0.355 50 0 FCAARM CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CSCC2)C(=O)[O-] ZINC000071328900 221343358 /nfs/dbraw/zinc/34/33/58/221343358.db2.gz CKRJGMKCMAHFPR-LLVKDONJSA-N -1 0 357.457 0.355 50 0 FCAARM Cn1c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2nc1N1CCOCC1 ZINC000072425725 221514921 /nfs/dbraw/zinc/51/49/21/221514921.db2.gz ODPKUJUTUCPHOA-OAHLLOKOSA-N -1 0 374.397 0.336 50 0 FCAARM Cn1ncc(N2CCO[C@@H](CCNc3ncccc3C(=O)[O-])C2)cc1=O ZINC000077287981 132179844 /nfs/dbraw/zinc/17/98/44/132179844.db2.gz JWRQYHXQMOLXEX-ZDUSSCGKSA-N -1 0 359.386 0.581 50 0 FCAARM O=C([O-])CN1CCN(C(=O)NCC2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077286891 221599938 /nfs/dbraw/zinc/59/99/38/221599938.db2.gz PEDGJWBWWVCYFW-KGLIPLIRSA-N -1 0 373.475 0.144 50 0 FCAARM COc1cccc([C@@H]2CN(C(=O)Cc3nnc(C)[nH]3)C[C@H]2C(=O)[O-])c1OC ZINC000091643267 221775975 /nfs/dbraw/zinc/77/59/75/221775975.db2.gz VXDLDIUMXKRNGA-QWHCGFSZSA-N -1 0 374.397 1.000 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C[C@H]1C1CC1 ZINC000091807978 221799101 /nfs/dbraw/zinc/79/91/01/221799101.db2.gz KIHWWWUOFRYDPO-UONOGXRCSA-N -1 0 357.366 0.926 50 0 FCAARM Cn1c(=O)[nH]cc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1=O ZINC000095356405 221858105 /nfs/dbraw/zinc/85/81/05/221858105.db2.gz FECDLEPTGKSCAV-CQSZACIVSA-N -1 0 371.393 0.721 50 0 FCAARM CS(=O)(=O)N1C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@]2(C(=O)[O-])C1 ZINC000096139527 222043867 /nfs/dbraw/zinc/04/38/67/222043867.db2.gz ICJUMCIUHJEXDQ-MEBBXXQBSA-N -1 0 372.830 0.758 50 0 FCAARM Cc1ccccc1CC(=O)N1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1 ZINC000096152099 222052670 /nfs/dbraw/zinc/05/26/70/222052670.db2.gz INNVXSHUMJRFNY-RHSMWYFYSA-N -1 0 366.439 0.342 50 0 FCAARM O=C([O-])[C@@]12CN(C(=O)CCN3CCOCC3)C[C@@H]1c1ccccc1OC2 ZINC000096152285 222052991 /nfs/dbraw/zinc/05/29/91/222052991.db2.gz GCGFKLZWJKFBEX-DNVCBOLYSA-N -1 0 360.410 0.798 50 0 FCAARM [NH3+][C@@H](CCc1nc(Cc2cccc(Cl)c2)nn1CC(=O)[O-])C(=O)[O-] ZINC000096162785 222061598 /nfs/dbraw/zinc/06/15/98/222061598.db2.gz QWVPHDZUJORKSI-NSHDSACASA-N -1 0 352.778 0.951 50 0 FCAARM O=C([O-])COc1ccc(-c2ncccn2)cc1CN1CCOC[C@H]1CO ZINC000097272448 222172036 /nfs/dbraw/zinc/17/20/36/222172036.db2.gz FAOSGGLCZADUOF-OAHLLOKOSA-N -1 0 359.382 0.800 50 0 FCAARM CNS(=O)(=O)c1ccc(CCc2nc(C3CC3)nn2CC(=O)[O-])cc1 ZINC000097805700 222214824 /nfs/dbraw/zinc/21/48/24/222214824.db2.gz PPXMFHLOVZVJHC-UHFFFAOYSA-N -1 0 364.427 0.933 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100639116 222247624 /nfs/dbraw/zinc/24/76/24/222247624.db2.gz GRWHQLHFLOEFCN-DZGCQCFKSA-N -1 0 357.366 0.888 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100639111 222247897 /nfs/dbraw/zinc/24/78/97/222247897.db2.gz GRWHQLHFLOEFCN-ZFWWWQNUSA-N -1 0 357.366 0.888 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100660864 222248897 /nfs/dbraw/zinc/24/88/97/222248897.db2.gz KCTUGKGYNYCRST-WCQYABFASA-N -1 0 363.757 0.979 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100660859 222249619 /nfs/dbraw/zinc/24/96/19/222249619.db2.gz KCTUGKGYNYCRST-DGCLKSJQSA-N -1 0 363.757 0.979 50 0 FCAARM COc1ccc(CCNC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)cc1OC ZINC000101445711 222275170 /nfs/dbraw/zinc/27/51/70/222275170.db2.gz VKEJYQLBIVPACV-UHFFFAOYSA-N -1 0 371.397 0.645 50 0 FCAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000101901900 222287188 /nfs/dbraw/zinc/28/71/88/222287188.db2.gz GADXBLNSNVIWEB-AAEUAGOBSA-N -1 0 369.830 0.982 50 0 FCAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1CCOCC1 ZINC000299749485 488871689 /nfs/dbraw/zinc/87/16/89/488871689.db2.gz KMTGZDQHBSROTQ-CYBMUJFWSA-N -1 0 361.398 0.522 50 0 FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Cl)[C@H]2SC1 ZINC000002739338 487470363 /nfs/dbraw/zinc/47/03/63/487470363.db2.gz HIWQXSOSGUJLGS-PRHODGIISA-N -1 0 356.791 0.446 50 0 FCAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]NC(=S)NC[C@H]2CCCO2)cc1 ZINC000002853038 487470476 /nfs/dbraw/zinc/47/04/76/487470476.db2.gz YLXIPFYAHIUCEX-GFCCVEGCSA-N -1 0 372.472 0.481 50 0 FCAARM CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000003280846 487470628 /nfs/dbraw/zinc/47/06/28/487470628.db2.gz XDZCJZJVUIMYOF-CQSZACIVSA-N -1 0 370.427 0.547 50 0 FCAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c1 ZINC000004197143 487475187 /nfs/dbraw/zinc/47/51/87/487475187.db2.gz FDPWBZONXWFONB-JSGCOSHPSA-N -1 0 370.427 0.377 50 0 FCAARM COc1ccccc1N1CCn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C ZINC000004370785 487476998 /nfs/dbraw/zinc/47/69/98/487476998.db2.gz OEKXVSYYICBBHM-UHFFFAOYSA-N -1 0 371.353 0.142 50 0 FCAARM O=C([O-])CSCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004324950 487477534 /nfs/dbraw/zinc/47/75/34/487477534.db2.gz NTILITYGTUKPRE-UHFFFAOYSA-N -1 0 352.412 0.877 50 0 FCAARM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000008329208 487516505 /nfs/dbraw/zinc/51/65/05/487516505.db2.gz RQUOJYKFYLJFIX-WCBMZHEXSA-N -1 0 350.190 0.658 50 0 FCAARM COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(C)C3=O)NN2C(C)=O)cc1 ZINC000009170870 487523987 /nfs/dbraw/zinc/52/39/87/487523987.db2.gz CAXWZWUMRXNBQQ-BSHRGCEOSA-N -1 0 358.354 0.455 50 0 FCAARM COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000011177645 487539286 /nfs/dbraw/zinc/53/92/86/487539286.db2.gz WUCVZDDMXRJJAV-AWEZNQCLSA-N -1 0 360.366 0.902 50 0 FCAARM CC(=O)NC1C(=O)N=C(SCc2nc3ccccc3c(=O)[nH]2)N=C1[O-] ZINC000012364314 487552559 /nfs/dbraw/zinc/55/25/59/487552559.db2.gz RKXUFOMGQGYAJB-UHFFFAOYSA-N -1 0 359.367 0.963 50 0 FCAARM CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)[O-] ZINC000012417071 487553589 /nfs/dbraw/zinc/55/35/89/487553589.db2.gz JZJFUWJJEDHNRG-PSASIEDQSA-N -1 0 374.440 0.891 50 0 FCAARM Cn1c2nc(NCCc3ccccc3)n(CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000012443298 487553775 /nfs/dbraw/zinc/55/37/75/487553775.db2.gz QNBWFLLBCMVQPG-UHFFFAOYSA-N -1 0 357.370 0.173 50 0 FCAARM COc1ccccc1-c1nc(CC(=O)NCC(=O)NCC(=O)[O-])cs1 ZINC000032094948 487768338 /nfs/dbraw/zinc/76/83/38/487768338.db2.gz RLZXSFJSRYFZBV-UHFFFAOYSA-N -1 0 363.395 0.678 50 0 FCAARM Cc1cccc(Cn2cc(C(=O)[O-])c(S(=O)(=O)N3CCOCC3)n2)c1 ZINC000049411656 488097776 /nfs/dbraw/zinc/09/77/76/488097776.db2.gz YMGVMARXWPWCBU-UHFFFAOYSA-N -1 0 365.411 0.959 50 0 FCAARM O=C([O-])c1cn(Cc2ccccc2)nc1S(=O)(=O)N1CCOCC1 ZINC000049411650 488097814 /nfs/dbraw/zinc/09/78/14/488097814.db2.gz PNEWUBIWBCZJJQ-UHFFFAOYSA-N -1 0 351.384 0.651 50 0 FCAARM 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CC(C)C(=O)N1CCC[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000828479684 836540034 /nfs/dbraw/zinc/54/00/34/836540034.db2.gz VTCPXVPRPHQZIB-CYBMUJFWSA-N -1 0 361.464 0.264 50 0 FCAARM Cc1ccc(Cn2c(SCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000169789074 222589669 /nfs/dbraw/zinc/58/96/69/222589669.db2.gz HINFPZMLNCBXAT-UHFFFAOYSA-N -1 0 374.422 0.967 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000328593078 210109749 /nfs/dbraw/zinc/10/97/49/210109749.db2.gz UIDUMDHNEFYNGF-QPJJXVBHSA-N -1 0 352.412 0.931 50 0 FCAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299787598 210029167 /nfs/dbraw/zinc/02/91/67/210029167.db2.gz PLKBGNDTJKGGNT-HOTGVXAUSA-N -1 0 366.381 0.743 50 0 FCAARM COc1ccc(C(=O)Nc2c(N)nc(SCCO)[n-]c2=O)cc1OC ZINC000005082097 219648519 /nfs/dbraw/zinc/64/85/19/219648519.db2.gz MIYVZWIQKHGGQF-UHFFFAOYSA-N -1 0 366.399 0.706 50 0 FCAARM NC(=O)c1c2c(sc1NC(=O)CSc1nncc(=O)[n-]1)CCCC2 ZINC000011905424 219941653 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-1 0 359.382 0.777 50 0 FCAARM Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])CC2=O)c(F)c1 ZINC000299748271 211827195 /nfs/dbraw/zinc/82/71/95/211827195.db2.gz GQPQIIVGLVYTMD-SMDDNHRTSA-N -1 0 350.346 0.799 50 0 FCAARM COc1cccc(-c2nc(CC(=O)NCC(=O)NCC(=O)[O-])cs2)c1 ZINC000032093050 211543180 /nfs/dbraw/zinc/54/31/80/211543180.db2.gz HRMGGOKPHJHOOE-UHFFFAOYSA-N -1 0 363.395 0.678 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000018115137 211192722 /nfs/dbraw/zinc/19/27/22/211192722.db2.gz JPXLAETUEQVNIJ-VHSXEESVSA-N -1 0 366.171 0.829 50 0 FCAARM CCn1ncc([N-]S(=O)(=O)c2cccc3nsnc32)c1C(N)=O ZINC000017073021 211177849 /nfs/dbraw/zinc/17/78/49/211177849.db2.gz TWFJGNWXXPUTRK-UHFFFAOYSA-N -1 0 352.401 0.807 50 0 FCAARM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C(=O)[O-])[C@H](C)O ZINC000014120426 211075789 /nfs/dbraw/zinc/07/57/89/211075789.db2.gz XSSYFZZDGSORJF-FZMZJTMJSA-N -1 0 370.427 0.343 50 0 FCAARM Cc1nn(C)c(C)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@@H]12 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SLFCNKNXQKSGCJ-UHFFFAOYSA-N -1 0 370.413 0.302 50 0 FCAARM O=C([O-])c1cc(-n2ccnn2)cc(S(=O)(=O)N2CCSCC2)c1 ZINC000071771248 221373829 /nfs/dbraw/zinc/37/38/29/221373829.db2.gz HZHNSKDYLOEGIV-UHFFFAOYSA-N -1 0 354.413 0.703 50 0 FCAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3c[nH]c(=O)cn3)CC2)cn1 ZINC000072418382 221505788 /nfs/dbraw/zinc/50/57/88/221505788.db2.gz NTUPAYAETGECSW-UHFFFAOYSA-N -1 0 358.354 0.612 50 0 FCAARM Cc1ccc2c(c1)N(CC(=O)N1Cc3nc[nH]c3C[C@@H]1C(=O)[O-])C(=O)CO2 ZINC000096133039 132219792 /nfs/dbraw/zinc/21/97/92/132219792.db2.gz HJBSEXBXDXDWIR-CQSZACIVSA-N -1 0 370.365 0.482 50 0 FCAARM CC(C)(C(=O)[O-])c1cnc(N2CCC[C@@H](O)C2)nc1N1CCOCC1 ZINC000096151807 132220958 /nfs/dbraw/zinc/22/09/58/132220958.db2.gz XWQQFCJSHZDNHV-GFCCVEGCSA-N -1 0 350.419 0.637 50 0 FCAARM Cc1nn(C)c2ncc(C(=O)[O-])c(N3CC[C@H]4[C@H](C3)OCc3cnnn34)c12 ZINC000299764674 132298274 /nfs/dbraw/zinc/29/82/74/132298274.db2.gz BYWOYYVOVPNRIM-STQMWFEESA-N -1 0 369.385 0.917 50 0 FCAARM COc1cccc(C(=O)N2CCN(c3ncccn3)C[C@@H]2C(=O)[O-])c1OC ZINC000071752872 136140307 /nfs/dbraw/zinc/14/03/07/136140307.db2.gz TVUOFVABAKJADY-CYBMUJFWSA-N -1 0 372.381 0.909 50 0 FCAARM Cn1c2nc(N3CCCc4ccccc43)n(CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000011693974 136152012 /nfs/dbraw/zinc/15/20/12/136152012.db2.gz BVNKOEUBDAPDFT-UHFFFAOYSA-N -1 0 369.381 0.603 50 0 FCAARM CN1CCN(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000091486715 221764228 /nfs/dbraw/zinc/76/42/28/221764228.db2.gz NIRJMUBKWMKJLR-LSDHHAIUSA-N -1 0 353.444 0.279 50 0 FCAARM CS(=O)(=O)CC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC000095392292 221899174 /nfs/dbraw/zinc/89/91/74/221899174.db2.gz YMQFAIJAMKOSOK-NSHDSACASA-N -1 0 352.368 0.959 50 0 FCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Br)c3)c(=O)c1-2 ZINC000100061773 222234244 /nfs/dbraw/zinc/23/42/44/222234244.db2.gz JFTSJZNBEXVZNC-BDAKNGLRSA-N -1 0 352.144 0.439 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C(C)=O)ccc3OC)c(=O)c1-2 ZINC000100166183 222238438 /nfs/dbraw/zinc/23/84/38/222238438.db2.gz TXIBPILFQLURGF-OLZOCXBDSA-N -1 0 359.338 0.278 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000101149557 222263229 /nfs/dbraw/zinc/26/32/29/222263229.db2.gz JPUQXHRTAMWBMF-GXTWGEPZSA-N -1 0 359.338 0.334 50 0 FCAARM COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000299748363 488871137 /nfs/dbraw/zinc/87/11/37/488871137.db2.gz HCPWOCPDIKPUBJ-UHFFFAOYSA-N -1 0 370.427 0.681 50 0 FCAARM CS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000299752921 488871575 /nfs/dbraw/zinc/87/15/75/488871575.db2.gz VZPJRRIIWPUADP-ZDUSSCGKSA-N -1 0 370.427 0.438 50 0 FCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CCO1 ZINC000299753816 488871756 /nfs/dbraw/zinc/87/17/56/488871756.db2.gz ZLSKNPGEFFSLQO-JKSUJKDBSA-N -1 0 360.410 0.780 50 0 FCAARM CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002991868 487470498 /nfs/dbraw/zinc/47/04/98/487470498.db2.gz MCPALBPXILGKOJ-UHFFFAOYSA-N -1 0 350.356 0.779 50 0 FCAARM CCn1cc([N-]S(=O)(=O)c2cnn(C)c2)c(C(=O)NCC(C)C)n1 ZINC000002804613 487470515 /nfs/dbraw/zinc/47/05/15/487470515.db2.gz UJEGDXXTGFEPRJ-UHFFFAOYSA-N -1 0 354.436 0.823 50 0 FCAARM C[C@@H](O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-] ZINC000004085300 487473544 /nfs/dbraw/zinc/47/35/44/487473544.db2.gz LZBURFZSWMUWSF-PMXXHBEXSA-N -1 0 364.423 0.985 50 0 biogenic FCAARM Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCN3c1ccc(F)cc1 ZINC000005251948 487486642 /nfs/dbraw/zinc/48/66/42/487486642.db2.gz CSNREUQOWKZGGE-UHFFFAOYSA-N -1 0 359.317 0.272 50 0 FCAARM Cn1c2nc3n(cc(-c4ccccc4)n3CC(=O)[O-])c2c(=O)n(C)c1=O ZINC000005251885 487486750 /nfs/dbraw/zinc/48/67/50/487486750.db2.gz SDXZFHODHJRBPV-UHFFFAOYSA-N -1 0 353.338 0.438 50 0 FCAARM O=C([O-])CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006645522 487497558 /nfs/dbraw/zinc/49/75/58/487497558.db2.gz AAKPWRIZWQJRRP-NSHDSACASA-N -1 0 358.391 0.817 50 0 FCAARM CSCC[C@H](NC(=O)[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000006908537 487500762 /nfs/dbraw/zinc/50/07/62/487500762.db2.gz SHMHJTVSNICKHD-SKDRFNHKSA-N -1 0 365.411 0.573 50 0 FCAARM NC(=O)c1ccccc1NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000007814497 487509555 /nfs/dbraw/zinc/50/95/55/487509555.db2.gz IYFOSKFZWNWDQB-UHFFFAOYSA-N -1 0 366.333 0.832 50 0 FCAARM O=C([O-])CCC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000008767839 487520066 /nfs/dbraw/zinc/52/00/66/487520066.db2.gz AHASKJJXFLBLBE-QGZVFWFLSA-N -1 0 357.341 0.979 50 0 FCAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCS(=O)(=O)CC1 ZINC000326592418 488915507 /nfs/dbraw/zinc/91/55/07/488915507.db2.gz DGWJZPFEIMUTEA-AWEZNQCLSA-N -1 0 365.411 0.604 50 0 FCAARM COC(=O)CC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000044917173 487927027 /nfs/dbraw/zinc/92/70/27/487927027.db2.gz HOPZVLXKELSGIA-UHFFFAOYSA-N -1 0 356.381 0.618 50 0 FCAARM O=C([O-])[C@H]1C[C@H](C(=O)NC2CC2)CN(C(=O)CCn2ccccc2=O)C1 ZINC000072143223 488378146 /nfs/dbraw/zinc/37/81/46/488378146.db2.gz IKTSMHNPRYGNHR-STQMWFEESA-N -1 0 361.398 0.066 50 0 FCAARM O=C([O-])[C@@H]1CC2(CN1C(=O)CCn1cccn1)CCN(C(=O)C1CC1)CC2 ZINC000072418079 488380179 /nfs/dbraw/zinc/38/01/79/488380179.db2.gz GEXPNJGQVVAOKZ-HNNXBMFYSA-N -1 0 374.441 0.978 50 0 FCAARM Cn1nccc1C(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)C1CC1)CC2 ZINC000072425224 488380656 /nfs/dbraw/zinc/38/06/56/488380656.db2.gz KXJGHIDZHARNQQ-CQSZACIVSA-N -1 0 360.414 0.738 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000072430220 488380766 /nfs/dbraw/zinc/38/07/66/488380766.db2.gz GXVJIWGGLDLQDE-UHFFFAOYSA-N -1 0 356.448 0.798 50 0 FCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)CN1Cc3ccccc3C1)CC2 ZINC000219605867 488444279 /nfs/dbraw/zinc/44/42/79/488444279.db2.gz HIUCFXQYMSOGGM-OAHLLOKOSA-N -1 0 357.410 0.584 50 0 FCAARM COCCn1cnnc1CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000221293656 488446286 /nfs/dbraw/zinc/44/62/86/488446286.db2.gz IBZZHCWUPLSJET-UHFFFAOYSA-N -1 0 356.386 0.376 50 0 FCAARM CC(C)(C)C(=O)Nc1cccc(C(=O)CC2(O)C(=O)[N-]C(=O)NC2=O)c1 ZINC000226795198 488451777 /nfs/dbraw/zinc/45/17/77/488451777.db2.gz SGAJMUJTAGDUTR-UHFFFAOYSA-N -1 0 361.354 0.341 50 0 FCAARM CNC(=O)c1ccc(CNC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)o1 ZINC000091830374 488470554 /nfs/dbraw/zinc/47/05/54/488470554.db2.gz YEUOQBYZOMBFQX-UHFFFAOYSA-N -1 0 356.338 0.625 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)CC2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000091845845 488470711 /nfs/dbraw/zinc/47/07/11/488470711.db2.gz CYEXXPVSPKOVEK-KGLIPLIRSA-N -1 0 358.460 0.351 50 0 FCAARM Cn1cccc1-c1cc(C(=O)N2CCc3c([n-]n(CCO)c3=O)C2)[nH]n1 ZINC000091894110 488471420 /nfs/dbraw/zinc/47/14/20/488471420.db2.gz KZPXXMZCBNWJEP-UHFFFAOYSA-N -1 0 356.386 0.096 50 0 FCAARM O=C([O-])[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@H]1c1ccccn1 ZINC000092004399 488472832 /nfs/dbraw/zinc/47/28/32/488472832.db2.gz FZWDWGKJULSEDZ-CHWSQXEVSA-N -1 0 352.412 0.533 50 0 FCAARM CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000095353640 488480522 /nfs/dbraw/zinc/48/05/22/488480522.db2.gz 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O=C([O-])COCC(=O)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001031178 219355186 /nfs/dbraw/zinc/35/51/86/219355186.db2.gz UHKVFZOTBVULGK-UHFFFAOYSA-N -1 0 362.308 0.635 50 0 FCAARM C[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000002109058 219427693 /nfs/dbraw/zinc/42/76/93/219427693.db2.gz WYECHKCBURNQCS-QWRGUYRKSA-N -1 0 371.434 0.728 50 0 biogenic FCAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Cl)[C@@H]2SC1 ZINC000002739337 219461126 /nfs/dbraw/zinc/46/11/26/219461126.db2.gz HIWQXSOSGUJLGS-PELKAZGASA-N -1 0 356.791 0.446 50 0 FCAARM COCCn1cc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cn1 ZINC000282149522 212808038 /nfs/dbraw/zinc/80/80/38/212808038.db2.gz FMWKCPGGSRRHQC-UHFFFAOYSA-N -1 0 351.384 0.979 50 0 FCAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)[O-])c1 ZINC000299749893 223080662 /nfs/dbraw/zinc/08/06/62/223080662.db2.gz LZDXTBSZQLNADG-CABCVRRESA-N -1 0 368.455 0.779 50 0 FCAARM COCc1noc(CN2CC[C@]3(OC)CC[C@H](OCC(=O)[O-])C[C@H]23)n1 ZINC000299797584 223101618 /nfs/dbraw/zinc/10/16/18/223101618.db2.gz OSIYVAWYDXNABP-MQIPJXDCSA-N -1 0 355.391 0.829 50 0 FCAARM NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000012770833 220027583 /nfs/dbraw/zinc/02/75/83/220027583.db2.gz VYEOPZKWIGUQAI-UHFFFAOYSA-N -1 0 374.371 0.972 50 0 FCAARM CCCC(=O)Nc1ccc(NC(=O)Cn2[n-]c(=O)ccc2=O)cc1OC ZINC000055308456 221066083 /nfs/dbraw/zinc/06/60/83/221066083.db2.gz DZHDWDAOBDAMJR-UHFFFAOYSA-N -1 0 360.370 0.923 50 0 FCAARM O=C([O-])c1cn(C[C@@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)nn1 ZINC000065454295 221220375 /nfs/dbraw/zinc/22/03/75/221220375.db2.gz OBRJVUSQABMWSM-ZDUSSCGKSA-N -1 0 371.463 0.809 50 0 FCAARM CN(Cc1ccc([C@H]2CC(=O)Nc3[nH]nc(C(=O)[O-])c32)o1)S(C)(=O)=O ZINC000065508676 221228560 /nfs/dbraw/zinc/22/85/60/221228560.db2.gz GFEBOLKZIRBBNU-MRVPVSSYSA-N -1 0 368.371 0.566 50 0 FCAARM COC(=O)CCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000071257143 221336776 /nfs/dbraw/zinc/33/67/76/221336776.db2.gz LSGMOHWEFFVQEO-UHFFFAOYSA-N -1 0 352.380 0.107 50 0 FCAARM NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000071286534 221340472 /nfs/dbraw/zinc/34/04/72/221340472.db2.gz NTEKAWWGZBTONH-UHFFFAOYSA-N -1 0 362.407 0.934 50 0 FCAARM C[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000071405383 221346804 /nfs/dbraw/zinc/34/68/04/221346804.db2.gz DUABWWAVPDEFSK-SSDOTTSWSA-N -1 0 350.356 0.761 50 0 FCAARM COc1cccc(/C=C(/C(=O)N2CC[C@H](C(=O)[O-])C2)n2nnnc2C)c1 ZINC000328590418 533384969 /nfs/dbraw/zinc/38/49/69/533384969.db2.gz GCZUDMVOXYVWEC-GRRFOWRYSA-N -1 0 357.370 0.921 50 0 FCAARM CS(=O)(=O)N1CCC[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000299743863 533385381 /nfs/dbraw/zinc/38/53/81/533385381.db2.gz POAWZNQNULTZKM-HUUCEWRRSA-N -1 0 366.439 0.696 50 0 FCAARM CC(C)(C(=O)[O-])c1cnc(N2CCC(CO)CC2)nc1N1CCOCC1 ZINC000096133478 132219846 /nfs/dbraw/zinc/21/98/46/132219846.db2.gz MMMMMMRIKSUXNR-UHFFFAOYSA-N -1 0 364.446 0.884 50 0 FCAARM CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)COCC(=O)[O-])c1 ZINC000004307548 132386767 /nfs/dbraw/zinc/38/67/67/132386767.db2.gz CWOKIISJEHAUAY-UHFFFAOYSA-N -1 0 366.370 0.740 50 0 FCAARM O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)c1cccc2c1OCC2 ZINC000071757021 136140248 /nfs/dbraw/zinc/14/02/48/136140248.db2.gz PWIJAPDDHJLRFB-AWEZNQCLSA-N -1 0 354.366 0.827 50 0 FCAARM O=C([O-])[C@H]1CN(c2ncccn2)CCN1Cc1ccccc1OCCO ZINC000071763783 136140592 /nfs/dbraw/zinc/14/05/92/136140592.db2.gz BGNJKMAEJVMPOK-OAHLLOKOSA-N -1 0 358.398 0.623 50 0 FCAARM NC(=O)c1cc2c(nc1N1CCC(C(=O)[O-])(n3cccn3)CC1)CCC2 ZINC000072421115 136146066 /nfs/dbraw/zinc/14/60/66/136146066.db2.gz NEZRQIFNJZLGOF-UHFFFAOYSA-N -1 0 355.398 0.946 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)c2nc(N3CCCC3)nc3c2CCCC3)CCO1 ZINC000072454294 221536479 /nfs/dbraw/zinc/53/64/79/221536479.db2.gz UBUNYQMKUQFRAF-CQSZACIVSA-N -1 0 360.414 0.881 50 0 FCAARM O=C([O-])c1ccc(C[C@H]2CCN(S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000072479098 221553818 /nfs/dbraw/zinc/55/38/18/221553818.db2.gz UHBPPBIKKUXFFM-CQSZACIVSA-N -1 0 354.428 0.826 50 0 FCAARM Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000095372080 221874751 /nfs/dbraw/zinc/87/47/51/221874751.db2.gz RCHWPDWFMNXXNS-GFCCVEGCSA-N -1 0 370.402 0.878 50 0 FCAARM CC(=O)c1cc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)cs1 ZINC000096136378 222039046 /nfs/dbraw/zinc/03/90/46/222039046.db2.gz QVGLTOSBGPNHGI-IUODEOHRSA-N -1 0 372.468 0.729 50 0 FCAARM CCS(=O)(=O)N1C[C@@H]2CN(Cc3nc(C)cc(C)n3)C[C@]2(C(=O)[O-])C1 ZINC000096133833 222040116 /nfs/dbraw/zinc/04/01/16/222040116.db2.gz HONQERFMPIBMMM-BBRMVZONSA-N -1 0 368.459 0.262 50 0 FCAARM CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2csc(C)n2)CN1CC(=O)[O-] ZINC000096152883 222054345 /nfs/dbraw/zinc/05/43/45/222054345.db2.gz HDQOELSQZRWLJT-AAEUAGOBSA-N -1 0 368.459 0.577 50 0 FCAARM C[C@@H](NS(C)(=O)=O)c1nc(COc2ccc(F)cc2)nn1CC(=O)[O-] ZINC000097522665 222188846 /nfs/dbraw/zinc/18/88/46/222188846.db2.gz ZELKQPAISVZJSI-SECBINFHSA-N -1 0 372.378 0.691 50 0 FCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3OC)c(=O)c1-2 ZINC000100639772 222247991 /nfs/dbraw/zinc/24/79/91/222247991.db2.gz JKNBQCGXSBPIGB-GHMZBOCLSA-N -1 0 351.746 0.729 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100639102 222248075 /nfs/dbraw/zinc/24/80/75/222248075.db2.gz FOBTVDUCPRNSBE-UKRRQHHQSA-N -1 0 357.366 0.943 50 0 FCAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2C)c(OC)c1 ZINC000101767393 222283303 /nfs/dbraw/zinc/28/33/03/222283303.db2.gz IBMFFUOSQQMHAM-ZDUSSCGKSA-N -1 0 374.397 0.588 50 0 FCAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000101901896 222287358 /nfs/dbraw/zinc/28/73/58/222287358.db2.gz GADXBLNSNVIWEB-DGCLKSJQSA-N -1 0 369.830 0.982 50 0 FCAARM Cc1cc2ncc(C(=O)N3C[C@@H](F)C[C@H]3CNC(=O)N(C)C)c(=O)n2[n-]1 ZINC000102819879 222308483 /nfs/dbraw/zinc/30/84/83/222308483.db2.gz IWBDPQLIQNMSLZ-QWRGUYRKSA-N -1 0 364.381 0.155 50 0 FCAARM Cc1cc(=NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159169 229899217 /nfs/dbraw/zinc/89/92/17/229899217.db2.gz KGGFLHRLQUOSRJ-ZMLRMANQSA-N -1 0 355.416 0.268 50 0 FCAARM C[C@H](Sc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000004960384 263337745 /nfs/dbraw/zinc/33/77/45/263337745.db2.gz GVQZJYHVXXVDTE-ZETCQYMHSA-N -1 0 362.367 0.852 50 0 FCAARM COC(=O)C1CCN([C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000009646205 263362277 /nfs/dbraw/zinc/36/22/77/263362277.db2.gz CKMGOWIPDPMHDF-AWEZNQCLSA-N -1 0 360.366 0.902 50 0 FCAARM NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000002710650 487470314 /nfs/dbraw/zinc/47/03/14/487470314.db2.gz CHKWUPHRNYWLME-UHFFFAOYSA-N -1 0 372.380 0.539 50 0 FCAARM CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)[O-])c(=O)[nH]c1=O ZINC000002650198 487470328 /nfs/dbraw/zinc/47/03/28/487470328.db2.gz GGPFYSDUCBLMFK-UHFFFAOYSA-N -1 0 354.407 0.773 50 0 FCAARM C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002561182 487470391 /nfs/dbraw/zinc/47/03/91/487470391.db2.gz NBTXEKZBUPKFTC-QWRGUYRKSA-N -1 0 351.359 0.007 50 0 FCAARM COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)NCC(=O)[O-])n2C)c(OC)c1 ZINC000004000355 487473607 /nfs/dbraw/zinc/47/36/07/487473607.db2.gz AHJWOTNZZQSMRY-VIFPVBQESA-N -1 0 363.370 0.515 50 0 biogenic FCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3)c(=O)c1-2 ZINC000004134321 487474692 /nfs/dbraw/zinc/47/46/92/487474692.db2.gz OHVYSJVGZSSBRG-IUCAKERBSA-N -1 0 352.144 0.439 50 0 FCAARM COc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1 ZINC000004247031 487474887 /nfs/dbraw/zinc/47/48/87/487474887.db2.gz LKYVAPXDTXTKOD-UHFFFAOYSA-N -1 0 371.353 0.142 50 0 FCAARM CCOC(=O)c1[n-]n(C(C)=O)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004104547 487474895 /nfs/dbraw/zinc/47/48/95/487474895.db2.gz KCTUGKGYNYCRST-AAEUAGOBSA-N -1 0 363.757 0.979 50 0 FCAARM COc1cccc(/C=c2/[n-]c(=O)/c(=C\c3cccc(OC)c3)[nH]c2=O)c1 ZINC000004957703 487483333 /nfs/dbraw/zinc/48/33/33/487483333.db2.gz XYEYAQUJZLQCAS-JYFOCSDGSA-N -1 0 350.374 0.738 50 0 FCAARM CC(C)Cc1nc(S[C@H](C)C(=O)[O-])c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004341222 487477033 /nfs/dbraw/zinc/47/70/33/487477033.db2.gz MBLYYELGPCJDFU-MRVPVSSYSA-N -1 0 352.416 0.791 50 0 FCAARM O=C([N-]S(=O)(=O)Oc1ccc(F)cc1)O[C@H]1CCS(=O)(=O)C1 ZINC000004594486 487479869 /nfs/dbraw/zinc/47/98/69/487479869.db2.gz FUVGKUXNWZQMFE-JTQLQIEISA-N -1 0 353.349 0.363 50 0 FCAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC[C@H](O)c2ccccc2)cs1 ZINC000008992956 487522243 /nfs/dbraw/zinc/52/22/43/487522243.db2.gz AAJYHNCALCZDJH-LBPRGKRZSA-N -1 0 355.441 0.907 50 0 FCAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)[O-])C2)cc1 ZINC000009134148 487523727 /nfs/dbraw/zinc/52/37/27/487523727.db2.gz MUDSCLRPQZSCBC-LLVKDONJSA-N -1 0 356.400 0.297 50 0 FCAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N(CCO)CCO ZINC000009303069 487524952 /nfs/dbraw/zinc/52/49/52/487524952.db2.gz BVOVJMISDLGZTP-UHFFFAOYSA-N -1 0 355.774 0.816 50 0 FCAARM CCN(c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)[O-])c1ccccc1 ZINC000011693981 487544115 /nfs/dbraw/zinc/54/41/15/487544115.db2.gz JBYNFFYBXYOTIJ-UHFFFAOYSA-N -1 0 357.370 0.676 50 0 FCAARM CC(NCCCN1CCOCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020332621 487609161 /nfs/dbraw/zinc/60/91/61/487609161.db2.gz FFULQFPMKGFHTJ-JQIJEIRASA-N -1 0 372.425 0.855 50 0 FCAARM COc1ccc2c(ccn2CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c1 ZINC000032123910 487769369 /nfs/dbraw/zinc/76/93/69/487769369.db2.gz XZXOAEZZMLZWPJ-CYBMUJFWSA-N -1 0 362.386 0.668 50 0 biogenic FCAARM CO[C@@](O)([N-]c1cccc[nH+]1)C1=C([O-])c2ccccc2S(=O)(=O)N1C ZINC000044123092 487909566 /nfs/dbraw/zinc/90/95/66/487909566.db2.gz QROVADNFQGPVAJ-JKSUJKDBSA-N -1 0 363.395 0.672 50 0 FCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCc1nc(-c2ccncc2)no1 ZINC000072419118 488380229 /nfs/dbraw/zinc/38/02/29/488380229.db2.gz SUUFLHHJHNUGHB-HNNXBMFYSA-N -1 0 368.353 0.998 50 0 FCAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)[C@H]2COCCO2)CC1 ZINC000072426873 488380475 /nfs/dbraw/zinc/38/04/75/488380475.db2.gz UFPRHADWUPIODK-OAHLLOKOSA-N -1 0 359.382 0.854 50 0 FCAARM CN(C)Cc1nnc([C@H]2CCCN(C(=O)CCc3cc(=O)[n-]o3)C2)n1C ZINC000072469650 488381562 /nfs/dbraw/zinc/38/15/62/488381562.db2.gz ZBJNLJPSINCXSF-LBPRGKRZSA-N -1 0 362.434 0.909 50 0 FCAARM COc1ccc(CCNS(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1OC ZINC000075166035 488396216 /nfs/dbraw/zinc/39/62/16/488396216.db2.gz FPQRUEAMCBXJEJ-UHFFFAOYSA-N -1 0 355.372 0.646 50 0 FCAARM COc1ccc(F)cc1CN1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077303780 488410282 /nfs/dbraw/zinc/41/02/82/488410282.db2.gz MKCNKJFLHLHNIN-UONOGXRCSA-N -1 0 372.418 0.202 50 0 FCAARM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237719312 488456785 /nfs/dbraw/zinc/45/67/85/488456785.db2.gz ZGNRKVVHMKRFGM-OAHLLOKOSA-N -1 0 366.377 0.912 50 0 FCAARM CCOc1cc(C(=O)N2CCNC(=O)[C@@H]2CC)ccc1OCC(=O)[O-] ZINC000268915682 488457183 /nfs/dbraw/zinc/45/71/83/488457183.db2.gz PUVRRDYBBJZTLL-LBPRGKRZSA-N -1 0 350.371 0.899 50 0 FCAARM Cc1nc(NC(=O)CN2CCN(c3nc[nH]n3)CC2)sc1C(=O)[O-] ZINC000244719061 488461489 /nfs/dbraw/zinc/46/14/89/488461489.db2.gz LWGOIQFISUTEQV-UHFFFAOYSA-N -1 0 351.392 0.029 50 0 FCAARM NS(=O)(=O)CCCC(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000091452634 488464363 /nfs/dbraw/zinc/46/43/63/488464363.db2.gz MLWVPXHTIWHQIR-ZDUSSCGKSA-N -1 0 354.428 0.845 50 0 FCAARM Cc1ccccc1[C@@H]1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000091818371 488470176 /nfs/dbraw/zinc/47/01/76/488470176.db2.gz FPPMZVFZIOHFAW-LSDHHAIUSA-N -1 0 371.393 0.480 50 0 FCAARM O=C([O-])CCN1CCN(C(=O)c2cccc(F)c2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000092064791 488473506 /nfs/dbraw/zinc/47/35/06/488473506.db2.gz GIFSEWPOZWXKAO-KGLIPLIRSA-N -1 0 370.402 0.224 50 0 FCAARM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1 ZINC000095444326 488484049 /nfs/dbraw/zinc/48/40/49/488484049.db2.gz CFTOXXRUNWSIDM-UHFFFAOYSA-N -1 0 352.372 0.876 50 0 FCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000095502644 488485188 /nfs/dbraw/zinc/48/51/88/488485188.db2.gz BGIAMOOOYUYBNX-AWEZNQCLSA-N -1 0 353.338 0.158 50 0 FCAARM CS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC000261732209 488533389 /nfs/dbraw/zinc/53/33/89/488533389.db2.gz RUFWRLUWGHWZCL-OAHLLOKOSA-N -1 0 366.439 0.869 50 0 FCAARM Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)n1 ZINC000426435436 489567636 /nfs/dbraw/zinc/56/76/36/489567636.db2.gz QQXQPCMDXOXAAL-ZDUSSCGKSA-N -1 0 359.386 0.239 50 0 FCAARM CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(=O)n3nc(C)[n-]c3n1)C2 ZINC000426546111 489574410 /nfs/dbraw/zinc/57/44/10/489574410.db2.gz HOJCZFVVNGXDGH-UHFFFAOYSA-N -1 0 370.417 0.377 50 0 FCAARM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000571284377 491297671 /nfs/dbraw/zinc/29/76/71/491297671.db2.gz UHHUJLOQVWWMRM-GFCCVEGCSA-N -1 0 358.354 0.347 50 0 FCAARM O=C(NCCCc1n[nH]c(=O)[n-]1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000682264679 493284066 /nfs/dbraw/zinc/28/40/66/493284066.db2.gz PPQKQLOJQUSAHR-OLZOCXBDSA-N -1 0 363.418 0.000 50 0 FCAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc2c(c1)OCCO2 ZINC000299743298 533763503 /nfs/dbraw/zinc/76/35/03/533763503.db2.gz NBOZBHIYUUYQKU-NSHDSACASA-N -1 0 358.354 0.894 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50 0 FCAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000009306332 487525300 /nfs/dbraw/zinc/52/53/00/487525300.db2.gz BJGJAXHNEPLZQQ-CYBMUJFWSA-N -1 0 360.366 0.886 50 0 FCAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000011691477 487544762 /nfs/dbraw/zinc/54/47/62/487544762.db2.gz JRWXYAFLFPXBTG-CQSZACIVSA-N -1 0 361.379 0.830 50 0 FCAARM O=C([O-])[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(O)cc1 ZINC000011867190 487546944 /nfs/dbraw/zinc/54/69/44/487546944.db2.gz OSKFBVUBQFSGAV-OAHLLOKOSA-N -1 0 354.322 0.439 50 0 FCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000035126691 487796126 /nfs/dbraw/zinc/79/61/26/487796126.db2.gz MOVUEBSTHKZOHL-UHFFFAOYSA-N -1 0 369.262 0.902 50 0 FCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)COC[C@@H]3CCCO3)CC2)c1 ZINC000072432226 488380780 /nfs/dbraw/zinc/38/07/80/488380780.db2.gz LEOBMTXWGZGBFQ-AWEZNQCLSA-N -1 0 351.403 0.789 50 0 FCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CCCCn3nnnc31)C2 ZINC000072447282 488381188 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AHBUSKLEDXCCCX-QWHCGFSZSA-N -1 0 372.468 0.319 50 0 FCAARM NC(=O)[C@@H]1CN(Cc2cc(-c3ccccn3)ccc2OCC(=O)[O-])CCO1 ZINC000216263351 488441232 /nfs/dbraw/zinc/44/12/32/488441232.db2.gz HTATZPILSCCNTJ-KRWDZBQOSA-N -1 0 371.393 0.898 50 0 FCAARM Cc1nonc1CC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000219408010 488444117 /nfs/dbraw/zinc/44/41/17/488444117.db2.gz YANZFFOFPMTQHS-HUUCEWRRSA-N -1 0 361.354 0.971 50 0 FCAARM CSCC[C@H](CO)NC(=O)CCc1c(C)nc2[n-]c(C)nn2c1=O ZINC000230273743 488452283 /nfs/dbraw/zinc/45/22/83/488452283.db2.gz JOKUBRNOORJBQC-LLVKDONJSA-N -1 0 353.448 0.197 50 0 FCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000268888337 488454862 /nfs/dbraw/zinc/45/48/62/488454862.db2.gz DGXQRJCCOUHYIA-LBPRGKRZSA-N -1 0 350.371 0.608 50 0 FCAARM Cc1[nH]c(C(=O)NC[C@H]2CCCN(S(C)(=O)=O)C2)c(C)c1C(=O)[O-] ZINC000244724050 488461056 /nfs/dbraw/zinc/46/10/56/488461056.db2.gz MMMNXYAWGSQVET-LLVKDONJSA-N -1 0 357.432 0.731 50 0 FCAARM Cc1ccccc1[C@@H]1CN(C(=O)CCn2ccc(=O)[nH]c2=O)C[C@H]1C(=O)[O-] ZINC000092100006 488474208 /nfs/dbraw/zinc/47/42/08/488474208.db2.gz XYGFLIIJSIDELI-LSDHHAIUSA-N -1 0 371.393 0.562 50 0 FCAARM CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000095353641 488480745 /nfs/dbraw/zinc/48/07/45/488480745.db2.gz PAKGQPQATFNOTP-JTQLQIEISA-N -1 0 367.431 0.495 50 0 FCAARM Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)[O-])c(=O)[nH]1 ZINC000095390591 488483534 /nfs/dbraw/zinc/48/35/34/488483534.db2.gz DLIHPGDQUKJOHO-AWEZNQCLSA-N -1 0 371.393 0.534 50 0 FCAARM COc1nc2c(cc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])CCC2 ZINC000095524191 488486907 /nfs/dbraw/zinc/48/69/07/488486907.db2.gz XCQOUXOLDQKCCP-GFCCVEGCSA-N -1 0 356.400 0.197 50 0 FCAARM Cc1cc(=O)n2nc(CCC(=O)N[C@@H](CO)Cc3ccccc3)[n-]c2n1 ZINC000252479311 488517831 /nfs/dbraw/zinc/51/78/31/488517831.db2.gz BCUSUJYRAOSQOT-CQSZACIVSA-N -1 0 355.398 0.791 50 0 FCAARM CSCC[C@H](CO)NC(=O)CCc1c(C)nc2[n-]c(C)nn2c1=O ZINC000253535907 488521145 /nfs/dbraw/zinc/52/11/45/488521145.db2.gz VLRAXVDREXEPPO-LLVKDONJSA-N -1 0 353.448 0.610 50 0 FCAARM Cc1cc(=O)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1-c1ccccc1F ZINC000262413276 488569305 /nfs/dbraw/zinc/56/93/05/488569305.db2.gz OOMSOQSDFCRYAB-AWEZNQCLSA-N -1 0 361.329 0.606 50 0 FCAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cn2cncn2)C1 ZINC000262482656 488573111 /nfs/dbraw/zinc/57/31/11/488573111.db2.gz WAYYJPJTUPCWKX-CYBMUJFWSA-N -1 0 350.400 0.812 50 0 FCAARM COc1ccccc1N1C[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)CC1=O ZINC000262925227 488599715 /nfs/dbraw/zinc/59/97/15/488599715.db2.gz KVSVUEAQVXSDKP-GFCCVEGCSA-N -1 0 362.382 0.798 50 0 FCAARM CCOc1ccccc1[C@@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)NC(C)=O ZINC000262992802 488602117 /nfs/dbraw/zinc/60/21/17/488602117.db2.gz OOAYHVOJFUYFTP-GDBMZVCRSA-N -1 0 364.398 0.965 50 0 FCAARM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000263269482 488608495 /nfs/dbraw/zinc/60/84/95/488608495.db2.gz XHZUNBYQQNRXPI-ZDUSSCGKSA-N -1 0 361.441 0.859 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCO1 ZINC000331120035 489175485 /nfs/dbraw/zinc/17/54/85/489175485.db2.gz LTUFIYUJLASQJK-NOZJJQNGSA-N -1 0 354.309 0.630 50 0 FCAARM Cc1c(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cnn1C ZINC000408483871 490348246 /nfs/dbraw/zinc/34/82/46/490348246.db2.gz MUGVVDMRHDSVAS-GFCCVEGCSA-N -1 0 368.459 0.715 50 0 FCAARM CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(C)(C)C(=O)[O-])CC1 ZINC000583997183 491856270 /nfs/dbraw/zinc/85/62/70/491856270.db2.gz XHWPQCBRAUOJKD-UHFFFAOYSA-N -1 0 369.443 0.354 50 0 FCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000299741676 534539259 /nfs/dbraw/zinc/53/92/59/534539259.db2.gz ACWSGZFWUMMSNT-TVQRCGJNSA-N -1 0 354.309 0.630 50 0 FCAARM CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000262204041 522286044 /nfs/dbraw/zinc/28/60/44/522286044.db2.gz VVVUEJYPKHBSFD-MRXNPFEDSA-N -1 0 354.428 0.851 50 0 FCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000269052031 525232554 /nfs/dbraw/zinc/23/25/54/525232554.db2.gz VUWVZBWGNBAIBU-INIZCTEOSA-N -1 0 352.412 0.946 50 0 FCAARM CC(C)N1CCNC(=O)[C@H]1CC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000299775794 529046300 /nfs/dbraw/zinc/04/63/00/529046300.db2.gz KSBVHJPMSYZZHH-OAHLLOKOSA-N -1 0 363.414 0.479 50 0 FCAARM CCc1ccc(CN2C[C@@H](C(=O)NCCc3n[nH]c(=O)[n-]3)CC2=O)cc1 ZINC000222641363 568548720 /nfs/dbraw/zinc/54/87/20/568548720.db2.gz BZBGJJRXOQOPRS-AWEZNQCLSA-N -1 0 357.414 0.368 50 0 FCAARM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)cn1 ZINC000262660269 601245476 /nfs/dbraw/zinc/24/54/76/601245476.db2.gz UFXNYFQEBVGFGO-UHFFFAOYSA-N -1 0 371.397 0.796 50 0 FCAARM O=C([O-])/C=C/c1ccc(NC(=O)CS(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000095970402 674561541 /nfs/dbraw/zinc/56/15/41/674561541.db2.gz YFYJPPWUIRIZKH-LHRNQBEKSA-N -1 0 368.411 0.821 50 0 FCAARM O=C([O-])c1cc2n(n1)CCN(C(=O)[C@H](Cc1c[nH]cn1)n1cccc1)C2 ZINC000198944059 1190653272 /nfs/dbraw/zinc/65/32/72/1190653272.db2.gz GRFMJSRNXXQUAW-HNNXBMFYSA-N -1 0 354.370 0.932 50 0 FCAARM O=C([O-])c1cc2n(n1)CCCN(C(=O)c1nc3ccccc3[nH]c1=O)C2 ZINC000067983100 1216711151 /nfs/dbraw/zinc/71/11/51/1216711151.db2.gz JJFUBRDQKZYMSD-UHFFFAOYSA-N -1 0 353.338 0.864 50 0 FCAARM O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccccn2)CN(c2ncc(F)cn2)C1 ZINC000072152221 1219208315 /nfs/dbraw/zinc/20/83/15/1219208315.db2.gz LVXZFPKNAVRLCA-NEPJUHHUSA-N -1 0 359.361 0.854 50 0 FCAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)c2cnn3cccnc23)CC1 ZINC000072425136 1219330490 /nfs/dbraw/zinc/33/04/90/1219330490.db2.gz DMAOIMSEAACYDV-UHFFFAOYSA-N -1 0 354.370 0.950 50 0 FCAARM Cc1cc2ncc(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c(=O)n2[n-]1 ZINC001704298655 1286217437 /nfs/dbraw/zinc/21/74/37/1286217437.db2.gz KLYXXCGECYFLMH-HIFRSBDPSA-N -1 0 353.382 0.714 50 0 FCAARM CN(C)C1=NC2(CCN(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2)C(=O)N1 ZINC000828453144 939220561 /nfs/dbraw/zinc/22/05/61/939220561.db2.gz DCNCOAFMAMVOLM-CYBMUJFWSA-N -1 0 373.413 0.404 50 0 FCAARM Cn1cc(/C=C\C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000606441514 975016326 /nfs/dbraw/zinc/01/63/26/975016326.db2.gz IFOOVXXFQVFUOA-LZNQSLFOSA-N -1 0 369.377 0.135 50 0 FCAARM CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC000299742852 529578700 /nfs/dbraw/zinc/57/87/00/529578700.db2.gz IXVULTYQUUTOIB-ACJLOTCBSA-N -1 0 359.382 0.919 50 0 FCAARM CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000328589418 530027039 /nfs/dbraw/zinc/02/70/39/530027039.db2.gz AIOYOPGYBHYZEW-PPGNKHEKSA-N -1 0 352.412 0.931 50 0 FCAARM CC(=O)Nc1c(O)nc(SCC(=O)Nc2c(C)cccc2C)[n-]c1=O ZINC000000796562 219322177 /nfs/dbraw/zinc/32/21/77/219322177.db2.gz VKHOWRFFZSGKFE-UHFFFAOYSA-N -1 0 362.411 0.492 50 0 FCAARM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc(Cl)c1S(C)(=O)=O ZINC000285367450 213332433 /nfs/dbraw/zinc/33/24/33/213332433.db2.gz WZZNAJUALQPSBX-MRVPVSSYSA-N -1 0 368.864 0.962 50 0 FCAARM CCOC(=O)N1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000004756662 219604445 /nfs/dbraw/zinc/60/44/45/219604445.db2.gz NNSWVUXSMDNFNA-UHFFFAOYSA-N -1 0 355.416 0.972 50 0 FCAARM COC(=O)c1[n-]n(CCC(C)=O)c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000005023558 219641377 /nfs/dbraw/zinc/64/13/77/219641377.db2.gz PQTJGXRJALZIPU-GDBMZVCRSA-N -1 0 371.393 0.985 50 0 FCAARM CS(=O)(=O)N1CCC(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000299740977 223079853 /nfs/dbraw/zinc/07/98/53/223079853.db2.gz CNNMNMKFFVWQJK-MJBXVCDLSA-N -1 0 358.460 0.902 50 0 FCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000299790520 223099003 /nfs/dbraw/zinc/09/90/03/223099003.db2.gz BUPULFMERRFYRB-AWEZNQCLSA-N -1 0 360.389 0.526 50 0 FCAARM CCc1nnc(NC(=O)CSC2=NC(=O)C(NC(C)=O)C([O-])=N2)s1 ZINC000010059431 219890666 /nfs/dbraw/zinc/89/06/66/219890666.db2.gz RFMIGJSOTKVHDT-UHFFFAOYSA-N -1 0 370.416 0.579 50 0 FCAARM O=C([O-])CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013691575 220087591 /nfs/dbraw/zinc/08/75/91/220087591.db2.gz QVGDWIJGKBYOPR-UHFFFAOYSA-N -1 0 356.342 0.383 50 0 FCAARM COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000016625581 220189173 /nfs/dbraw/zinc/18/91/73/220189173.db2.gz MSKOENQDRJGAGK-UHFFFAOYSA-N -1 0 370.427 0.882 50 0 FCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)s1 ZINC000088376795 208117164 /nfs/dbraw/zinc/11/71/64/208117164.db2.gz HBUCGPQAWKATHI-LURJTMIESA-N -1 0 356.219 0.985 50 0 FCAARM CCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[nH]c1=O ZINC000020567688 220332355 /nfs/dbraw/zinc/33/23/55/220332355.db2.gz OTCDTUSNRWESBB-OAHLLOKOSA-N -1 0 361.398 0.905 50 0 biogenic FCAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000020614779 220336488 /nfs/dbraw/zinc/33/64/88/220336488.db2.gz IBOBRHVZQUTKDM-UHFFFAOYSA-N -1 0 360.345 0.856 50 0 FCAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCC2 ZINC000049547046 221024702 /nfs/dbraw/zinc/02/47/02/221024702.db2.gz LPAVZNSKIJSMMI-INIZCTEOSA-N -1 0 355.394 0.934 50 0 FCAARM O=C([O-])c1cn(C[C@@H]2CCCN(c3nnnn3-c3ccccc3)C2)nn1 ZINC000067515269 221258433 /nfs/dbraw/zinc/25/84/33/221258433.db2.gz AHVIGVGEGFQSQE-GFCCVEGCSA-N -1 0 354.374 0.869 50 0 FCAARM O=C([O-])c1nn(CC2CC2)c2c1CN(S(=O)(=O)N1CCCC1)CC2 ZINC000067921155 221305787 /nfs/dbraw/zinc/30/57/87/221305787.db2.gz XVLSBIGFMBHMNY-UHFFFAOYSA-N -1 0 354.432 0.690 50 0 FCAARM Cn1nc(C2CCN(C(=O)Cc3nnn[n-]3)CC2)n(-c2ccccc2)c1=O ZINC000067966429 221308817 /nfs/dbraw/zinc/30/88/17/221308817.db2.gz XQZURSLJCMXEFF-UHFFFAOYSA-N -1 0 368.401 0.033 50 0 FCAARM Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC(O)(C(=O)[O-])CC3)cc12 ZINC000071764585 221370495 /nfs/dbraw/zinc/37/04/95/221370495.db2.gz AFTVRKRJJZXTNF-UHFFFAOYSA-N -1 0 366.395 0.437 50 0 FCAARM CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299753737 533431515 /nfs/dbraw/zinc/43/15/15/533431515.db2.gz ZEAFXPFYMPMBNK-ZIAGYGMSSA-N -1 0 355.412 0.344 50 0 FCAARM COc1ccc(CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000299752845 533516799 /nfs/dbraw/zinc/51/67/99/533516799.db2.gz VSZVMEUDQVZFPO-BPLDGKMQSA-N -1 0 367.423 0.932 50 0 FCAARM Cc1ccc(C(=O)[O-])c(N2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)n1 ZINC000077455483 132185990 /nfs/dbraw/zinc/18/59/90/132185990.db2.gz FSHWHITYNKLWIN-TZMCWYRMSA-N -1 0 357.370 0.248 50 0 FCAARM Cn1ccnc1-c1ccc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)nn1 ZINC000095361925 132207917 /nfs/dbraw/zinc/20/79/17/132207917.db2.gz VFPPVMMSRCIAAY-LBPRGKRZSA-N -1 0 370.413 0.779 50 0 FCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1N1CCOCC1 ZINC000223427298 132279225 /nfs/dbraw/zinc/27/92/25/132279225.db2.gz OYTWYQMIIHOHMR-GDBMZVCRSA-N -1 0 364.398 0.512 50 0 FCAARM Cc1nccn1C1(C(=O)[O-])CCN(c2cncc(C(=O)N(C)C)n2)CC1 ZINC000072457386 132303119 /nfs/dbraw/zinc/30/31/19/132303119.db2.gz MYKQIPGEWWXHFR-UHFFFAOYSA-N -1 0 358.402 0.764 50 0 FCAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000041589784 136120966 /nfs/dbraw/zinc/12/09/66/136120966.db2.gz FTNNXEFZVDUPBS-UHFFFAOYSA-N -1 0 361.427 0.811 50 0 FCAARM CSc1ncc(C(=O)[O-])c(N2CCN[C@H](C(=O)N3CCCC3)C2)n1 ZINC000072129633 136142218 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364.398 0.965 50 0 FCAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[S@@](=O)C3)cc2[n-]c1=S ZINC000170651686 488814569 /nfs/dbraw/zinc/81/45/69/488814569.db2.gz JWQUKFIDNRKWFD-DJNLSKAYSA-N -1 0 351.453 0.956 50 0 FCAARM O=C([O-])C1(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CCOCC1 ZINC000426438543 489567479 /nfs/dbraw/zinc/56/74/79/489567479.db2.gz FZDXTFJZROEQKF-UHFFFAOYSA-N -1 0 351.359 0.381 50 0 FCAARM O=C([O-])CCN(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C1CCOCC1 ZINC000558923147 491449269 /nfs/dbraw/zinc/44/92/69/491449269.db2.gz BRNKKQMLMPSMAY-JTQLQIEISA-N -1 0 366.336 0.880 50 0 FCAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000583650638 491849399 /nfs/dbraw/zinc/84/93/99/491849399.db2.gz WFJVBWNPETVTRZ-AWEZNQCLSA-N -1 0 370.427 0.580 50 0 FCAARM O=C([O-])[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000583650655 491849427 /nfs/dbraw/zinc/84/94/27/491849427.db2.gz ZHCRNRJDEXNBCN-OAHLLOKOSA-N -1 0 367.423 0.651 50 0 FCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000643432551 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O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCc1nc2ccccc2[nH]c1=O ZINC000072474786 488381656 /nfs/dbraw/zinc/38/16/56/488381656.db2.gz DPEYOYRJXQJRPF-INIZCTEOSA-N -1 0 367.365 0.789 50 0 FCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCn1nc2ccccn2c1=O ZINC000238028723 488458005 /nfs/dbraw/zinc/45/80/05/488458005.db2.gz FLMBRIRICCZLSL-OAHLLOKOSA-N -1 0 366.377 0.924 50 0 FCAARM COc1ccc(OC[C@@H]2CCCN(C(=O)Cc3cc(=O)[nH][n-]c3=O)C2)cc1 ZINC000244685617 488461501 /nfs/dbraw/zinc/46/15/01/488461501.db2.gz ITNYAYZTIMRONV-CYBMUJFWSA-N -1 0 373.409 0.932 50 0 FCAARM O=C([O-])[C@@]12CN(S(=O)(=O)N3CCOCC3)C[C@@H]1c1ccccc1OC2 ZINC000095372619 488482421 /nfs/dbraw/zinc/48/24/21/488482421.db2.gz FHJDNFZFJXBGFO-CZUORRHYSA-N -1 0 368.411 0.126 50 0 FCAARM Cc1cc2ncc(C(=O)N[C@@H]3CCCN(Cc4ncc[nH]4)CC3)c(=O)n2[n-]1 ZINC000101866684 488496453 /nfs/dbraw/zinc/49/64/53/488496453.db2.gz IBAWYXJPUGMOJC-CYBMUJFWSA-N -1 0 369.429 0.839 50 0 FCAARM CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000252617671 488519411 /nfs/dbraw/zinc/51/94/11/488519411.db2.gz KXZUZXSDLLAKJW-ZUMXRPEOSA-N -1 0 357.318 0.761 50 0 FCAARM COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2ccc(C(=O)[O-])cc2)C1=O ZINC000253623700 488522684 /nfs/dbraw/zinc/52/26/84/488522684.db2.gz HUAOSRJYJUGZKD-SNVBAGLBSA-N -1 0 360.322 0.985 50 0 biogenic FCAARM CC(=O)N1C[C@H]2CN(C(=O)Cc3ccc(F)cc3F)C[C@@]2(C(=O)[O-])C1 ZINC000426412812 489566153 /nfs/dbraw/zinc/56/61/53/489566153.db2.gz UQFAHROEYBCTLN-SJCJKPOMSA-N -1 0 352.337 0.899 50 0 FCAARM CC(=O)N1C[C@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@@]2(C(=O)[O-])C1 ZINC000426412826 489566279 /nfs/dbraw/zinc/56/62/79/489566279.db2.gz WLAUKQWAIOPNRH-KSSFIOAISA-N -1 0 356.382 0.428 50 0 FCAARM Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C ZINC000524735258 490555296 /nfs/dbraw/zinc/55/52/96/490555296.db2.gz LZMMDTYZXDYLAN-CYBMUJFWSA-N -1 0 371.397 0.469 50 0 FCAARM O=C([O-])C1(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCC1 ZINC000575871561 491566828 /nfs/dbraw/zinc/56/68/28/491566828.db2.gz HQTMVNGOGUPUID-UHFFFAOYSA-N -1 0 359.382 0.130 50 0 FCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccnn2CCc2ccccc2)CCO1 ZINC000621243524 492362888 /nfs/dbraw/zinc/36/28/88/492362888.db2.gz DCUHOMXDNXQBNM-CQSZACIVSA-N -1 0 365.411 0.600 50 0 FCAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262716536 519687207 /nfs/dbraw/zinc/68/72/07/519687207.db2.gz GVLOOKLAAVFJRS-PBHICJAKSA-N -1 0 373.409 0.917 50 0 FCAARM COc1ccccc1N1C[C@H](C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1=O ZINC000269022390 524579380 /nfs/dbraw/zinc/57/93/80/524579380.db2.gz IUVXUHSHHROUJQ-OLZOCXBDSA-N -1 0 362.382 0.750 50 0 FCAARM COc1cccc(CN2C[C@H](C(=O)NCc3n[nH]c(=O)[n-]3)CCC2=O)c1 ZINC000091586931 525957607 /nfs/dbraw/zinc/95/76/07/525957607.db2.gz QGXJTPCXCJOJLE-GFCCVEGCSA-N -1 0 359.386 0.162 50 0 FCAARM Cn1cc([C@H]2[C@H](C(=O)NCc3ccc(C(=O)[O-])o3)CCC(=O)N2C)cn1 ZINC000268907336 527324588 /nfs/dbraw/zinc/32/45/88/527324588.db2.gz PHFTZVBSPPYLNQ-DOMZBBRYSA-N -1 0 360.370 0.937 50 0 FCAARM O=C([O-])CNC(=O)CNC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000020722905 527611843 /nfs/dbraw/zinc/61/18/43/527611843.db2.gz SDGLORSTAFIJFL-UHFFFAOYSA-N -1 0 351.359 0.809 50 0 FCAARM CC[C@@H](Nc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1)C(=O)NC ZINC000096136480 535810099 /nfs/dbraw/zinc/81/00/99/535810099.db2.gz FFPHHXCTCGAVNP-GFCCVEGCSA-N -1 0 365.434 0.612 50 0 FCAARM COc1cccc(/C=C(/C(=O)N2CCO[C@@H](C(=O)[O-])C2)n2nnnc2C)c1 ZINC000583650524 599942232 /nfs/dbraw/zinc/94/22/32/599942232.db2.gz BHLBMMKWLYFYPF-KQGZCTBQSA-N -1 0 373.369 0.300 50 0 FCAARM CNS(=O)(=O)c1cc(C(=O)NCCN2CCc3ccccc3C2)co1 ZINC000162778709 664259425 /nfs/dbraw/zinc/25/94/25/664259425.db2.gz UBBGPOOEUFMDFK-UHFFFAOYSA-N -1 0 363.439 0.976 50 0 FCAARM CC(C)NS(=O)(=O)[N-]C(=O)c1cc(NC(N)=O)c(F)cc1Cl ZINC001501013811 1264102484 /nfs/dbraw/zinc/10/24/84/1264102484.db2.gz BODFAEGPBRYBJX-UHFFFAOYSA-N -1 0 352.775 0.942 50 0 FCAARM COc1ccc([C@@H](C(=O)[O-])N2CCN(CCn3cncn3)CC2)cc1F ZINC001506423348 1264320049 /nfs/dbraw/zinc/32/00/49/1264320049.db2.gz XVLKSJALKCHXAT-INIZCTEOSA-N -1 0 363.393 0.869 50 0 FCAARM CCS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2cc(OC)ccc2OC)CC1 ZINC001506420633 1264320591 /nfs/dbraw/zinc/32/05/91/1264320591.db2.gz NSOFQIKQZAWHAN-OAHLLOKOSA-N -1 0 372.443 0.797 50 0 FCAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC001704310863 1286222766 /nfs/dbraw/zinc/22/27/66/1286222766.db2.gz UXJRTEFUUJSJIE-CALCHBBNSA-N -1 0 350.346 0.346 50 0 FCAARM