smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCN(C(=O)[O-])C1 ZINC000825673591 603995600 /nfs/dbraw/zinc/99/56/00/603995600.db2.gz RWXIUPZZQMOHGU-MRXNPFEDSA-N -1 1 331.328 1.584 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000832278415 604005456 /nfs/dbraw/zinc/00/54/56/604005456.db2.gz NPCZFCRYXQNRDV-RKDXNWHRSA-N -1 1 331.332 1.215 20 50 EDGDMM O=C([O-])N1CCC[C@@H](OCC(=O)NNc2ccnc3ccccc32)C1 ZINC000831517342 605300568 /nfs/dbraw/zinc/30/05/68/605300568.db2.gz QFCDYVDTPNRGPH-GFCCVEGCSA-N -1 1 344.371 1.259 20 50 EDGDMM Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)CCNC(=O)[O-] ZINC000833935693 605844000 /nfs/dbraw/zinc/84/40/00/605844000.db2.gz HOPOVBVZBLGZMQ-UHFFFAOYSA-N -1 1 338.345 1.130 20 50 EDGDMM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC000826447002 607465240 /nfs/dbraw/zinc/46/52/40/607465240.db2.gz IXGDCWBVHWCOTN-UHFFFAOYSA-N -1 1 330.735 1.983 20 50 EDGDMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC000832326222 603581833 /nfs/dbraw/zinc/58/18/33/603581833.db2.gz PPJMRVKFKYMDLQ-RYUDHWBXSA-N -1 1 328.372 1.926 20 50 EDGDMM O=C([O-])NCC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000834203061 605465118 /nfs/dbraw/zinc/46/51/18/605465118.db2.gz GMLPNVDPQKLFPH-UHFFFAOYSA-N -1 1 337.719 1.629 20 50 EDGDMM CC[C@@H]1C[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182699 609151536 /nfs/dbraw/zinc/15/15/36/609151536.db2.gz LSJQOBMJKYKKEC-NXEZZACHSA-N -1 1 349.395 1.626 20 50 EDGDMM O=C([O-])N1CCC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831736722 603497197 /nfs/dbraw/zinc/49/71/97/603497197.db2.gz TUFNDOCNVWBMEJ-LLVKDONJSA-N -1 1 331.328 1.584 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000830834901 603530149 /nfs/dbraw/zinc/53/01/49/603530149.db2.gz RPIBQNLGZXGBTQ-UHFFFAOYSA-N -1 1 343.409 1.032 20 50 EDGDMM Cc1cc(NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])nc(C)n1 ZINC000830121651 603902643 /nfs/dbraw/zinc/90/26/43/603902643.db2.gz GROOHDKZOYDCPQ-YHWZYXNKSA-N -1 1 333.392 1.848 20 50 EDGDMM O=C([O-])N1CCC[C@@H]1CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000831338691 604005501 /nfs/dbraw/zinc/00/55/01/604005501.db2.gz BBXIYFLQEFUXKD-SECBINFHSA-N -1 1 331.332 1.311 20 50 EDGDMM Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833937498 605973367 /nfs/dbraw/zinc/97/33/67/605973367.db2.gz XFJBXQPDYLPLPB-UHFFFAOYSA-N -1 1 346.343 1.459 20 50 EDGDMM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823284874 607097297 /nfs/dbraw/zinc/09/72/97/607097297.db2.gz LLEOASMBTYMZIG-UHFFFAOYSA-N -1 1 339.344 1.023 20 50 EDGDMM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823284874 607097299 /nfs/dbraw/zinc/09/72/99/607097299.db2.gz LLEOASMBTYMZIG-UHFFFAOYSA-N -1 1 339.344 1.023 20 50 EDGDMM CNc1ncc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000826099130 608120675 /nfs/dbraw/zinc/12/06/75/608120675.db2.gz ZCUSUROFMVPLMW-UHFFFAOYSA-N -1 1 349.380 1.233 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=C2CCSCC2)o1 ZINC000824359321 608273429 /nfs/dbraw/zinc/27/34/29/608273429.db2.gz VLDMBVJDYDKAIA-UHFFFAOYSA-N -1 1 349.420 1.875 20 50 EDGDMM O=C([O-])c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)ccn1 ZINC000833148943 601293789 /nfs/dbraw/zinc/29/37/89/601293789.db2.gz BKFBVFBZGHLFLN-UHFFFAOYSA-N -1 1 325.280 1.601 20 50 EDGDMM Cc1nc(NC(=O)[O-])sc1C(=O)NNC(=O)c1ncccc1C ZINC000833910797 605970307 /nfs/dbraw/zinc/97/03/07/605970307.db2.gz OPJZHIGXKZQZJX-UHFFFAOYSA-N -1 1 335.345 1.320 20 50 EDGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000833180124 601440130 /nfs/dbraw/zinc/44/01/30/601440130.db2.gz YQVPHKCGYCUXBE-GHMZBOCLSA-N -1 1 339.355 1.191 20 50 EDGDMM C[C@H](CC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000827304357 602300272 /nfs/dbraw/zinc/30/02/72/602300272.db2.gz SCGGGGWTXBQIPA-SNVBAGLBSA-N -1 1 341.371 1.581 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832277528 603497251 /nfs/dbraw/zinc/49/72/51/603497251.db2.gz JCTLOLUZMADDDC-WDEREUQCSA-N -1 1 331.328 1.630 20 50 EDGDMM O=C([O-])N1CC[C@@H](NC(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831742612 603656123 /nfs/dbraw/zinc/65/61/23/603656123.db2.gz LLDBNFLZPACFMQ-SNVBAGLBSA-N -1 1 332.316 1.129 20 50 EDGDMM O=C([O-])N(CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)CC1CC1 ZINC000831464079 604005642 /nfs/dbraw/zinc/00/56/42/604005642.db2.gz KTMYZWOEPCZAJO-UHFFFAOYSA-N -1 1 331.332 1.169 20 50 EDGDMM C[C@@H](C(=O)NN=c1ncc(F)c[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833790584 605607298 /nfs/dbraw/zinc/60/72/98/605607298.db2.gz QGULSHIZPWRNQT-BXKDBHETSA-N -1 1 333.323 1.704 20 50 EDGDMM O=C([O-])NCCCCC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000834234490 605902137 /nfs/dbraw/zinc/90/21/37/605902137.db2.gz RZQRBDDZFITSTQ-UHFFFAOYSA-N -1 1 329.740 1.245 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000834230089 605977460 /nfs/dbraw/zinc/97/74/60/605977460.db2.gz QAFNJBWRVCZMPQ-UHFFFAOYSA-N -1 1 349.318 1.895 20 50 EDGDMM O=C([O-])NC1(CC(=O)NNC(=O)c2cc3ccccc3o2)CCC1 ZINC000832207214 603497151 /nfs/dbraw/zinc/49/71/51/603497151.db2.gz TXTBDUDHQOFDGP-UHFFFAOYSA-N -1 1 331.328 1.774 20 50 EDGDMM O=C([O-])N1CCCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000831736357 603497214 /nfs/dbraw/zinc/49/72/14/603497214.db2.gz KGMOYQVDVLUMMS-LLVKDONJSA-N -1 1 331.328 1.726 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000832278413 604005561 /nfs/dbraw/zinc/00/55/61/604005561.db2.gz NPCZFCRYXQNRDV-DTWKUNHWSA-N -1 1 331.332 1.215 20 50 EDGDMM O=C([O-])N1CCC(C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)CC1 ZINC000831743029 604005571 /nfs/dbraw/zinc/00/55/71/604005571.db2.gz ZTIJXMTZCSISCD-UHFFFAOYSA-N -1 1 331.332 1.169 20 50 EDGDMM C[C@]1([NH2+]CC(=O)N[N-]C(=O)c2cccs2)CCCC[C@@H]1C(=O)[O-] ZINC000833567712 605243251 /nfs/dbraw/zinc/24/32/51/605243251.db2.gz BZVQSWOMZMFAIC-BMIGLBTASA-N -1 1 339.417 1.132 20 50 EDGDMM O=C([O-])NCC1(C(=O)NNc2ccnc3ccccc32)CCCC1 ZINC000832442861 603801268 /nfs/dbraw/zinc/80/12/68/603801268.db2.gz CLDCHHXQDOJGNY-UHFFFAOYSA-N -1 1 328.372 1.928 20 50 EDGDMM O=C([O-])N1CCC[C@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000831742531 604005148 /nfs/dbraw/zinc/00/51/48/604005148.db2.gz JJBXHGFRPOMTFC-VIFPVBQESA-N -1 1 331.332 1.169 20 50 EDGDMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000826027498 604077546 /nfs/dbraw/zinc/07/75/46/604077546.db2.gz ULAUSHOZLKVKHU-SNVBAGLBSA-N -1 1 346.343 1.471 20 50 EDGDMM O=C([O-])NCCNC(=O)NNC(=O)c1ccc(-c2ccccc2)o1 ZINC000834243001 605554739 /nfs/dbraw/zinc/55/47/39/605554739.db2.gz DMPSAYHLDGHCOI-UHFFFAOYSA-N -1 1 332.316 1.158 20 50 EDGDMM COCCC[C@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826155559 609379344 /nfs/dbraw/zinc/37/93/44/609379344.db2.gz UPPCADIZELIOLB-VIFPVBQESA-N -1 1 337.384 1.484 20 50 EDGDMM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832277527 603497415 /nfs/dbraw/zinc/49/74/15/603497415.db2.gz JCTLOLUZMADDDC-QWRGUYRKSA-N -1 1 331.328 1.630 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc3occc3[nH]2)o1 ZINC000824358350 607570236 /nfs/dbraw/zinc/57/02/36/607570236.db2.gz HXFBMQBTIYEKEK-UHFFFAOYSA-N -1 1 342.319 1.809 20 50 EDGDMM C[C@@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCN(C(=O)[O-])C1 ZINC000825678978 603482466 /nfs/dbraw/zinc/48/24/66/603482466.db2.gz UIRHLNWECVKONK-SNVBAGLBSA-N -1 1 338.311 1.995 20 50 EDGDMM O=C([O-])N1CCC[C@H]1CCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000833997857 605567983 /nfs/dbraw/zinc/56/79/83/605567983.db2.gz IJSPFASZASNYMK-JTQLQIEISA-N -1 1 345.359 1.701 20 50 EDGDMM CC(=NNC(=O)Cc1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948764 608094260 /nfs/dbraw/zinc/09/42/60/608094260.db2.gz XBWUGWGMQFYJIB-UHFFFAOYSA-N -1 1 327.373 1.406 20 50 EDGDMM O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)nc1 ZINC000833311497 601325217 /nfs/dbraw/zinc/32/52/17/601325217.db2.gz VMBAIDDLDWOVFD-UHFFFAOYSA-N -1 1 325.280 1.601 20 50 EDGDMM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000831340180 603500210 /nfs/dbraw/zinc/50/02/10/603500210.db2.gz SNAKRCSMRNMBIK-SECBINFHSA-N -1 1 341.751 1.339 20 50 EDGDMM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccc(Cl)cc1F ZINC000826445311 607746747 /nfs/dbraw/zinc/74/67/47/607746747.db2.gz OWCUSQPCVWFXLR-UHFFFAOYSA-N -1 1 349.713 1.062 20 50 EDGDMM C[C@H](C(=O)NN=c1ncc(F)c[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833790585 605607759 /nfs/dbraw/zinc/60/77/59/605607759.db2.gz QGULSHIZPWRNQT-CABZTGNLSA-N -1 1 333.323 1.704 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1sccc1OC(F)F ZINC000834231385 605976730 /nfs/dbraw/zinc/97/67/30/605976730.db2.gz HDKJQJRLDDXCEV-UHFFFAOYSA-N -1 1 337.304 1.158 20 50 EDGDMM CC[C@@H](SC)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825159145 607621800 /nfs/dbraw/zinc/62/18/00/607621800.db2.gz JXCSSLZTVUSMBY-SSDOTTSWSA-N -1 1 325.398 1.563 20 50 EDGDMM CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000826721287 604004756 /nfs/dbraw/zinc/00/47/56/604004756.db2.gz RBGYRJDCCYSWLS-OAHLLOKOSA-N -1 1 333.348 1.605 20 50 EDGDMM O=C(NN=c1ccc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826447374 609263504 /nfs/dbraw/zinc/26/35/04/609263504.db2.gz BYSSMZMEFQAWEM-UHFFFAOYSA-N -1 1 332.327 1.567 20 50 EDGDMM O=C(NN=c1ccc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826447374 609263505 /nfs/dbraw/zinc/26/35/05/609263505.db2.gz BYSSMZMEFQAWEM-UHFFFAOYSA-N -1 1 332.327 1.567 20 50 EDGDMM C[C@@H](CN(C)C(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000824868474 603482086 /nfs/dbraw/zinc/48/20/86/603482086.db2.gz NROLZOPWSRETJS-YFKPBYRVSA-N -1 1 326.300 1.851 20 50 EDGDMM O=C([O-])NC[C@H]1CCCN1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832557620 604079974 /nfs/dbraw/zinc/07/99/74/604079974.db2.gz XYUZMBPGGKKESN-LLVKDONJSA-N -1 1 346.343 1.519 20 50 EDGDMM CC(=NNC(=O)NCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823948779 608094416 /nfs/dbraw/zinc/09/44/16/608094416.db2.gz XSYVIYQHFPOZHM-UHFFFAOYSA-N -1 1 333.299 1.514 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832277525 603497337 /nfs/dbraw/zinc/49/73/37/603497337.db2.gz JCTLOLUZMADDDC-GHMZBOCLSA-N -1 1 331.328 1.630 20 50 EDGDMM Cc1cc(NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)nc(C)n1 ZINC000830123296 604581212 /nfs/dbraw/zinc/58/12/12/604581212.db2.gz TUZRYSWMMVIAEC-GXFFZTMASA-N -1 1 335.408 1.953 20 50 EDGDMM Cc1cc(NNC(=O)C[C@H]2CSCCN2C(=O)[O-])nc(C)n1 ZINC000830123594 605312486 /nfs/dbraw/zinc/31/24/86/605312486.db2.gz XIABUBHFESLEDE-JTQLQIEISA-N -1 1 325.394 1.022 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cc2cccc(Cl)c2o1 ZINC000834230212 605979363 /nfs/dbraw/zinc/97/93/63/605979363.db2.gz VRNIQFINROBVTL-UHFFFAOYSA-N -1 1 339.735 1.895 20 50 EDGDMM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823284048 607097395 /nfs/dbraw/zinc/09/73/95/607097395.db2.gz ANJBOLYTRFTQDQ-UHFFFAOYSA-N -1 1 344.385 1.690 20 50 EDGDMM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823284048 607097396 /nfs/dbraw/zinc/09/73/96/607097396.db2.gz ANJBOLYTRFTQDQ-UHFFFAOYSA-N -1 1 344.385 1.690 20 50 EDGDMM O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c([O-])cccc1Cl ZINC000826448087 607464270 /nfs/dbraw/zinc/46/42/70/607464270.db2.gz HYSMUPLJAWCACZ-UHFFFAOYSA-N -1 1 330.735 1.983 20 50 EDGDMM CC(=NNC(=O)c1ncccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953498 608094895 /nfs/dbraw/zinc/09/48/95/608094895.db2.gz CQWWICTVIHGDBD-UHFFFAOYSA-N -1 1 327.373 1.786 20 50 EDGDMM CC(C)(CCC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)NC(=O)[O-] ZINC000823890353 604003878 /nfs/dbraw/zinc/00/38/78/604003878.db2.gz PNIAEMGSBBMTLK-UHFFFAOYSA-N -1 1 333.348 1.605 20 50 EDGDMM O=C([O-])N[C@H]1CC[C@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000832278414 604005446 /nfs/dbraw/zinc/00/54/46/604005446.db2.gz NPCZFCRYXQNRDV-IUCAKERBSA-N -1 1 331.332 1.215 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833916659 605802709 /nfs/dbraw/zinc/80/27/09/605802709.db2.gz BYAOVNUOACJWJK-UHFFFAOYSA-N -1 1 334.357 1.545 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)[C@H]1CCCC[C@]1(C)NC(=O)[O-] ZINC000833917065 606037763 /nfs/dbraw/zinc/03/77/63/606037763.db2.gz GDPGNIXQBIXSLF-OTYXRUKQSA-N -1 1 340.405 1.429 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833917067 606038028 /nfs/dbraw/zinc/03/80/28/606038028.db2.gz GDPGNIXQBIXSLF-YMTOWFKASA-N -1 1 340.405 1.429 20 50 EDGDMM CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948384 608093075 /nfs/dbraw/zinc/09/30/75/608093075.db2.gz KCZCDSLUFCSASJ-UHFFFAOYSA-N -1 1 344.404 1.282 20 50 EDGDMM CN(C)c1nccc(NNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)n1 ZINC000828081300 603655436 /nfs/dbraw/zinc/65/54/36/603655436.db2.gz PXXPFRSEJHXLHW-GFCCVEGCSA-N -1 1 344.375 1.037 20 50 EDGDMM C[C@@]1(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)CCN(C(=O)[O-])C1 ZINC000825679301 604006405 /nfs/dbraw/zinc/00/64/05/604006405.db2.gz XFZOFGWGXQNFOS-OAHLLOKOSA-N -1 1 331.332 1.169 20 50 EDGDMM C[C@]1(C(=O)NNC(=O)c2ccc(Cl)cc2O)CCN(C(=O)[O-])C1 ZINC000825673660 604060726 /nfs/dbraw/zinc/06/07/26/604060726.db2.gz SQAVURMOHZWDAN-AWEZNQCLSA-N -1 1 341.751 1.197 20 50 EDGDMM O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831736666 603495577 /nfs/dbraw/zinc/49/55/77/603495577.db2.gz RWKOTDBMPCJDJJ-OAHLLOKOSA-N -1 1 335.291 1.286 20 50 EDGDMM Cc1cc(CC(=O)NN=Cc2cccc3c2N(C(=O)[O-])CC3)[nH]n1 ZINC000830029219 603820413 /nfs/dbraw/zinc/82/04/13/603820413.db2.gz FXJKZDRAXXJBBG-UHFFFAOYSA-N -1 1 327.344 1.451 20 50 EDGDMM O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826449285 607712758 /nfs/dbraw/zinc/71/27/58/607712758.db2.gz KMEUBRIHYORBCN-UHFFFAOYSA-N -1 1 331.317 1.593 20 50 EDGDMM O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826449285 607712759 /nfs/dbraw/zinc/71/27/59/607712759.db2.gz KMEUBRIHYORBCN-UHFFFAOYSA-N -1 1 331.317 1.593 20 50 EDGDMM C[C@@]1([NH2+]CC(=O)N[N-]C(=O)c2cccs2)CCCC[C@@H]1C(=O)[O-] ZINC000833567714 605243292 /nfs/dbraw/zinc/24/32/92/605243292.db2.gz BZVQSWOMZMFAIC-MEBBXXQBSA-N -1 1 339.417 1.132 20 50 EDGDMM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1ccnc2ccccc21 ZINC000831414200 605309722 /nfs/dbraw/zinc/30/97/22/605309722.db2.gz KWEBJISOOOQURL-LLVKDONJSA-N -1 1 346.412 1.585 20 50 EDGDMM Cc1nc(C(C)C)sc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833913219 605978726 /nfs/dbraw/zinc/97/87/26/605978726.db2.gz VHSIGQPGWDOXDO-UHFFFAOYSA-N -1 1 328.394 1.384 20 50 EDGDMM CC(C)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)no1 ZINC000824342615 608196432 /nfs/dbraw/zinc/19/64/32/608196432.db2.gz QWKNCLGMDFNRLS-UHFFFAOYSA-N -1 1 346.351 1.846 20 50 EDGDMM CCC[C@](C)(NCC(=O)NNC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000829194087 601007699 /nfs/dbraw/zinc/00/76/99/601007699.db2.gz UIXVJUAIJYMSGG-HNNXBMFYSA-N -1 1 341.795 1.334 20 50 EDGDMM O=C([O-])NCCC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000832599377 603736163 /nfs/dbraw/zinc/73/61/63/603736163.db2.gz MFOXZYGNTOEZDF-UHFFFAOYSA-N -1 1 342.359 1.128 20 50 EDGDMM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1scnc1C ZINC000826794513 603877827 /nfs/dbraw/zinc/87/78/27/603877827.db2.gz IYGXBJMSDRBKGZ-VIFPVBQESA-N -1 1 343.409 1.222 20 50 EDGDMM O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1[O-] ZINC000826448668 607464069 /nfs/dbraw/zinc/46/40/69/607464069.db2.gz FVRBJEVFXGKFKS-UHFFFAOYSA-N -1 1 330.735 1.983 20 50 EDGDMM O=C(NN=Cc1cccc(F)c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000826444658 607888139 /nfs/dbraw/zinc/88/81/39/607888139.db2.gz PGNYREWJPCYFLS-UHFFFAOYSA-N -1 1 326.291 1.475 20 50 EDGDMM CCC1CCC(NCC(=O)NNC(=O)C(C)(C)C)(C(=O)[O-])CC1 ZINC000829101722 601495710 /nfs/dbraw/zinc/49/57/10/601495710.db2.gz VNAQAWDQVMWJOI-UHFFFAOYSA-N -1 1 327.425 1.193 20 50 EDGDMM CCN(CCNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000827147017 603650135 /nfs/dbraw/zinc/65/01/35/603650135.db2.gz YDBFXNFXWWMJBL-UHFFFAOYSA-N -1 1 334.332 1.377 20 50 EDGDMM C[C@@H](CCNC(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-] ZINC000824793698 604075838 /nfs/dbraw/zinc/07/58/38/604075838.db2.gz OVBLCFYSMBCXMK-VIFPVBQESA-N -1 1 334.332 1.423 20 50 EDGDMM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000824135418 604412052 /nfs/dbraw/zinc/41/20/52/604412052.db2.gz FNJIFJZUSSEOEB-LURJTMIESA-N -1 1 326.300 1.897 20 50 EDGDMM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ccnc3ccccc32)C1 ZINC000831517343 605300816 /nfs/dbraw/zinc/30/08/16/605300816.db2.gz QFCDYVDTPNRGPH-LBPRGKRZSA-N -1 1 344.371 1.259 20 50 EDGDMM O=C([O-])NCC(=O)NNC(=O)c1sc2ccccc2c1Cl ZINC000834203013 605460921 /nfs/dbraw/zinc/46/09/21/605460921.db2.gz JHPZIFROVDKMNE-UHFFFAOYSA-N -1 1 327.749 1.583 20 50 EDGDMM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834184952 605613749 /nfs/dbraw/zinc/61/37/49/605613749.db2.gz PGDVXEMAMXYZAU-QWRGUYRKSA-N -1 1 325.344 1.665 20 50 EDGDMM O=C([O-])N[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1 ZINC000834146366 605822328 /nfs/dbraw/zinc/82/23/28/605822328.db2.gz ZKBBJHNGKNTYJM-NSHDSACASA-N -1 1 346.343 1.423 20 50 EDGDMM CC(=NNC(=O)c1sc(N)nc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953441 608094399 /nfs/dbraw/zinc/09/43/99/608094399.db2.gz ACYHAONIYVOXHD-UHFFFAOYSA-N -1 1 348.417 1.429 20 50 EDGDMM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000834133904 605319584 /nfs/dbraw/zinc/31/95/84/605319584.db2.gz COBZJRLAUDQYKY-QMMMGPOBSA-N -1 1 341.274 1.070 20 50 EDGDMM O=C(NNc1cnnc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823281208 606598135 /nfs/dbraw/zinc/59/81/35/606598135.db2.gz OJOWPDNKJZZCHQ-UHFFFAOYSA-N -1 1 338.356 1.628 20 50 EDGDMM O=C(NNc1cnnc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823281208 606598136 /nfs/dbraw/zinc/59/81/36/606598136.db2.gz OJOWPDNKJZZCHQ-UHFFFAOYSA-N -1 1 338.356 1.628 20 50 EDGDMM C=C(C)[C@@H](CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)OCC ZINC000823873709 607888936 /nfs/dbraw/zinc/88/89/36/607888936.db2.gz PNPKFQCXPXAMNV-SNVBAGLBSA-N -1 1 349.395 1.793 20 50 EDGDMM CC[C@@H]1C[C@@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182701 609151430 /nfs/dbraw/zinc/15/14/30/609151430.db2.gz LSJQOBMJKYKKEC-VHSXEESVSA-N -1 1 349.395 1.626 20 50 EDGDMM C[C@H](CN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccccc1)C(=O)[O-] ZINC000827450284 600992505 /nfs/dbraw/zinc/99/25/05/600992505.db2.gz UYBHSBIQMNDPMQ-CYBMUJFWSA-N -1 1 349.431 1.403 20 50 EDGDMM O=C([O-])c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cn1 ZINC000833149231 601324795 /nfs/dbraw/zinc/32/47/95/601324795.db2.gz JIPNPHLKJDOBHY-UHFFFAOYSA-N -1 1 325.280 1.601 20 50 EDGDMM O=C([O-])N1CSC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000831736397 603497393 /nfs/dbraw/zinc/49/73/93/603497393.db2.gz KUXLSPKUFBALTC-VIFPVBQESA-N -1 1 335.341 1.247 20 50 EDGDMM Cc1cc(NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)nc(C)n1 ZINC000830123295 604581182 /nfs/dbraw/zinc/58/11/82/604581182.db2.gz TUZRYSWMMVIAEC-GWCFXTLKSA-N -1 1 335.408 1.953 20 50 EDGDMM O=C([O-])NC[C@H]1CCCCN1CCCI ZINC000834217791 605869586 /nfs/dbraw/zinc/86/95/86/605869586.db2.gz FRYPPIQNRJQPEO-SECBINFHSA-N -1 1 326.178 1.934 20 50 EDGDMM O=C([O-])NCCC(=O)NNC(=O)c1csc(-c2ccccc2)n1 ZINC000834228438 605843072 /nfs/dbraw/zinc/84/30/72/605843072.db2.gz KEVNNZGLEYLLOI-UHFFFAOYSA-N -1 1 334.357 1.229 20 50 EDGDMM CS[C@@H](C)CCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826226456 608301145 /nfs/dbraw/zinc/30/11/45/608301145.db2.gz ZUQIBIFFSQXRAK-QMMMGPOBSA-N -1 1 339.425 1.953 20 50 EDGDMM O=C([O-])NCCNC(=O)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000834243445 605391326 /nfs/dbraw/zinc/39/13/26/605391326.db2.gz MQZYIPCMITUHIB-UHFFFAOYSA-N -1 1 335.147 1.600 20 50 EDGDMM CCCN(CCNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000833854888 605997691 /nfs/dbraw/zinc/99/76/91/605997691.db2.gz DTFIHYGSHDOLGO-UHFFFAOYSA-N -1 1 348.359 1.767 20 50 EDGDMM CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948701 608094312 /nfs/dbraw/zinc/09/43/12/608094312.db2.gz URGVIGAFOLZNSM-UHFFFAOYSA-N -1 1 347.429 1.776 20 50 EDGDMM COC(=O)Cc1c(C(=O)[O-])sc(N=CC(C#N)C#N)c1C(=O)OC ZINC000831189209 601350198 /nfs/dbraw/zinc/35/01/98/601350198.db2.gz UHRYIRVCLGANGK-UHFFFAOYSA-N -1 1 349.324 1.291 20 50 EDGDMM CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000824135420 603481847 /nfs/dbraw/zinc/48/18/47/603481847.db2.gz FNJIFJZUSSEOEB-ZCFIWIBFSA-N -1 1 326.300 1.897 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829962027 605678897 /nfs/dbraw/zinc/67/88/97/605678897.db2.gz RTCLLNKIMCFSPN-UHFFFAOYSA-N -1 1 334.357 1.925 20 50 EDGDMM O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1cc(Cl)ccc1[O-] ZINC000826444751 607885781 /nfs/dbraw/zinc/88/57/81/607885781.db2.gz SKSZERKFSHKFMF-UHFFFAOYSA-N -1 1 342.746 1.990 20 50 EDGDMM O=C(NNc1cccc2cnccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449541 607398890 /nfs/dbraw/zinc/39/88/90/607398890.db2.gz YCOVNPOJGGZPKU-UHFFFAOYSA-N -1 1 332.327 1.567 20 50 EDGDMM O=C(NNc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449541 607398893 /nfs/dbraw/zinc/39/88/93/607398893.db2.gz YCOVNPOJGGZPKU-UHFFFAOYSA-N -1 1 332.327 1.567 20 50 EDGDMM O=C([O-])[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000833149412 601209746 /nfs/dbraw/zinc/20/97/46/601209746.db2.gz PRXQFMWEDCAUQJ-DTWKUNHWSA-N -1 1 340.763 1.698 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000833009824 601416190 /nfs/dbraw/zinc/41/61/90/601416190.db2.gz COSBTQMTRDJQQZ-UHFFFAOYSA-N -1 1 326.378 1.041 20 50 EDGDMM O=C([O-])NC1(CC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)CCC1 ZINC000832207287 604005319 /nfs/dbraw/zinc/00/53/19/604005319.db2.gz UPSVVSRFDNKTIP-UHFFFAOYSA-N -1 1 331.332 1.359 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)C2CCOCC2)o1 ZINC000824353028 607889270 /nfs/dbraw/zinc/88/92/70/607889270.db2.gz UVVCTICUGKMOJP-SECBINFHSA-N -1 1 349.395 1.484 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833917408 606058690 /nfs/dbraw/zinc/05/86/90/606058690.db2.gz HGYPHAVKDKQODX-UHFFFAOYSA-N -1 1 334.357 1.545 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000830829763 603660770 /nfs/dbraw/zinc/66/07/70/603660770.db2.gz OKOWFODOOJNLAX-UHFFFAOYSA-N -1 1 326.378 1.041 20 50 EDGDMM O=C([O-])N1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 ZINC000831742830 604078915 /nfs/dbraw/zinc/07/89/15/604078915.db2.gz SEJFECLSXZVLIR-UHFFFAOYSA-N -1 1 346.343 1.473 20 50 EDGDMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000827858215 604080522 /nfs/dbraw/zinc/08/05/22/604080522.db2.gz MWLMKOIFUOAKJV-LLVKDONJSA-N -1 1 346.343 1.471 20 50 EDGDMM CC(=NNC(=O)Cc1cc(C)n[nH]1)c1ccccc1OCC(=O)[O-] ZINC000833384469 605325510 /nfs/dbraw/zinc/32/55/10/605325510.db2.gz JPGKCQINNBDFCF-UHFFFAOYSA-N -1 1 330.344 1.264 20 50 EDGDMM Cc1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)nc1 ZINC000826282152 607806427 /nfs/dbraw/zinc/80/64/27/607806427.db2.gz ADQDJTMSBGNXJL-UHFFFAOYSA-N -1 1 328.336 1.438 20 50 EDGDMM O=C([O-])N1CCCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000831736359 603497511 /nfs/dbraw/zinc/49/75/11/603497511.db2.gz KGMOYQVDVLUMMS-NSHDSACASA-N -1 1 331.328 1.726 20 50 EDGDMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000832277783 603502950 /nfs/dbraw/zinc/50/29/50/603502950.db2.gz KLNOVGQZISNXGS-APPZFPTMSA-N -1 1 341.751 1.243 20 50 EDGDMM C[C@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCN1C(=O)[O-] ZINC000826007340 604079874 /nfs/dbraw/zinc/07/98/74/604079874.db2.gz HFIPHSAIXBQSCJ-JTQLQIEISA-N -1 1 346.343 1.471 20 50 EDGDMM CC(=NNC(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948785 608094524 /nfs/dbraw/zinc/09/45/24/608094524.db2.gz XWOBWMIRGVSNPF-UHFFFAOYSA-N -1 1 331.361 1.745 20 50 EDGDMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832277526 603497374 /nfs/dbraw/zinc/49/73/74/603497374.db2.gz JCTLOLUZMADDDC-MNOVXSKESA-N -1 1 331.328 1.630 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cnc(-c2ccncc2)s1 ZINC000834229979 605978129 /nfs/dbraw/zinc/97/81/29/605978129.db2.gz MTAODUYPHAARSB-UHFFFAOYSA-N -1 1 349.372 1.014 20 50 EDGDMM O=C([O-])N1CCC(NC(=O)NN=Cc2cc(F)c(O)c(F)c2)CC1 ZINC000831736191 603861391 /nfs/dbraw/zinc/86/13/91/603861391.db2.gz IFPPVCFJKIQSAS-UHFFFAOYSA-N -1 1 342.302 1.446 20 50 EDGDMM C[C@]1(C(=O)NNC(=O)c2cc3ccccc3o2)CCN(C(=O)[O-])C1 ZINC000825673590 603995904 /nfs/dbraw/zinc/99/59/04/603995904.db2.gz RWXIUPZZQMOHGU-INIZCTEOSA-N -1 1 331.328 1.584 20 50 EDGDMM O=C([O-])NC1CCC(C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)CC1 ZINC000832278377 604007286 /nfs/dbraw/zinc/00/72/86/604007286.db2.gz NGZRGRYHMVKYNW-UHFFFAOYSA-N -1 1 345.359 1.605 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000834229849 605995238 /nfs/dbraw/zinc/99/52/38/605995238.db2.gz JNQFECUWLITFIM-UHFFFAOYSA-N -1 1 344.711 1.057 20 50 EDGDMM Cc1n[nH]c(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)c1C ZINC000826233839 608630339 /nfs/dbraw/zinc/63/03/39/608630339.db2.gz XHSSOVVKHMRJHT-UHFFFAOYSA-N -1 1 333.743 1.012 20 50 EDGDMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000833149411 601209563 /nfs/dbraw/zinc/20/95/63/601209563.db2.gz PRXQFMWEDCAUQJ-BDAKNGLRSA-N -1 1 340.763 1.698 20 50 EDGDMM O=C([O-])N1CC[C@@](F)(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831736665 603495634 /nfs/dbraw/zinc/49/56/34/603495634.db2.gz RWKOTDBMPCJDJJ-HNNXBMFYSA-N -1 1 335.291 1.286 20 50 EDGDMM O=C([O-])N[C@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832366551 604078837 /nfs/dbraw/zinc/07/88/37/604078837.db2.gz VZUFGOORJDQJIS-NSHDSACASA-N -1 1 346.343 1.519 20 50 EDGDMM O=C([O-])N[C@H](C(=O)NN=c1ncc(F)c[nH]1)c1cccc(Cl)c1 ZINC000834122364 605692634 /nfs/dbraw/zinc/69/26/34/605692634.db2.gz QCPUTHSYETVOMC-JTQLQIEISA-N -1 1 339.714 1.721 20 50 EDGDMM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1 ZINC000826053151 601656621 /nfs/dbraw/zinc/65/66/21/601656621.db2.gz ISHBPIMUHBXBLD-SMDDNHRTSA-N -1 1 335.404 1.232 20 50 EDGDMM C[C@@H](C(=O)NN=c1ncc(F)c[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833790588 605607327 /nfs/dbraw/zinc/60/73/27/605607327.db2.gz QGULSHIZPWRNQT-SKDRFNHKSA-N -1 1 333.323 1.704 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000834230070 605978103 /nfs/dbraw/zinc/97/81/03/605978103.db2.gz PERRPEPSKFJPLC-UHFFFAOYSA-N -1 1 349.318 1.895 20 50 EDGDMM Cc1oc(NC(=O)[C@H](C)N2CC=C(C#N)CC2)c(-c2nn[n-]n2)c1C ZINC000826342165 609483060 /nfs/dbraw/zinc/48/30/60/609483060.db2.gz ZNSYGIYDTNBEPD-JTQLQIEISA-N -1 1 341.375 1.559 20 50 EDGDMM Cc1cc(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)nc(C)n1 ZINC000830121536 605351027 /nfs/dbraw/zinc/35/10/27/605351027.db2.gz DHKKWZQDDKNVQZ-SNVBAGLBSA-N -1 1 335.408 1.953 20 50 EDGDMM O=C([O-])N1CC[C@@H](CNC(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000834032013 605398651 /nfs/dbraw/zinc/39/86/51/605398651.db2.gz ZCRPWLRKIQYECI-JTQLQIEISA-N -1 1 346.343 1.377 20 50 EDGDMM O=C([O-])N[C@H](CC(=O)NN=c1ncc(F)c[nH]1)Cc1ccccc1 ZINC000834125139 605612926 /nfs/dbraw/zinc/61/29/26/605612926.db2.gz AHHSGWHVTXCPAR-LBPRGKRZSA-N -1 1 333.323 1.328 20 50 EDGDMM O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826447529 607397231 /nfs/dbraw/zinc/39/72/31/607397231.db2.gz JZLGEIBXEPSQOV-UHFFFAOYSA-N -1 1 347.285 1.620 20 50 EDGDMM O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826447529 607397233 /nfs/dbraw/zinc/39/72/33/607397233.db2.gz JZLGEIBXEPSQOV-UHFFFAOYSA-N -1 1 347.285 1.620 20 50 EDGDMM CC(C)C[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000824212030 603496463 /nfs/dbraw/zinc/49/64/63/603496463.db2.gz XEWCBZBRKVSCHP-LLVKDONJSA-N -1 1 333.344 1.876 20 50 EDGDMM CN(C)c1nccc(NNC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)n1 ZINC000828081301 603655565 /nfs/dbraw/zinc/65/55/65/603655565.db2.gz PXXPFRSEJHXLHW-LBPRGKRZSA-N -1 1 344.375 1.037 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ncoc1-c1ccccc1 ZINC000834232259 605979714 /nfs/dbraw/zinc/97/97/14/605979714.db2.gz PPNGFSHMUNJDFR-UHFFFAOYSA-N -1 1 332.316 1.150 20 50 EDGDMM Cn1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC000826363283 607982727 /nfs/dbraw/zinc/98/27/27/607982727.db2.gz GASNFSLOTDZOBY-SOFGYWHQSA-N -1 1 326.345 1.207 20 50 EDGDMM CCc1ncsc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825755308 607558203 /nfs/dbraw/zinc/55/82/03/607558203.db2.gz SSBBEEUJWUQNGE-UHFFFAOYSA-N -1 1 348.392 1.754 20 50 EDGDMM CN(CCCNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000828294543 603627384 /nfs/dbraw/zinc/62/73/84/603627384.db2.gz ZAZSJRJOLYQOOH-UHFFFAOYSA-N -1 1 334.332 1.377 20 50 EDGDMM O=C([O-])N1CC[C@@](F)(C(=O)NNc2nc(C(F)(F)F)cs2)C1 ZINC000831908744 603483262 /nfs/dbraw/zinc/48/32/62/603483262.db2.gz VFXVPHVDETYVNN-VIFPVBQESA-N -1 1 342.274 1.697 20 50 EDGDMM O=C([O-])C[C@@H]1CCCN1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833209284 604528268 /nfs/dbraw/zinc/52/82/68/604528268.db2.gz DSQJEZFIBYNWCE-NSHDSACASA-N -1 1 331.328 1.726 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000830834984 605298430 /nfs/dbraw/zinc/29/84/30/605298430.db2.gz UVCVCEGIAQHGSJ-UHFFFAOYSA-N -1 1 334.357 1.397 20 50 EDGDMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834046715 605692610 /nfs/dbraw/zinc/69/26/10/605692610.db2.gz BLYYNKDTSIVQKD-GFCCVEGCSA-N -1 1 331.307 1.164 20 50 EDGDMM CCc1ccnc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000825728670 608551020 /nfs/dbraw/zinc/55/10/20/608551020.db2.gz VLJGVDBWEJGWIB-UHFFFAOYSA-N -1 1 342.363 1.692 20 50 EDGDMM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC000827303854 602071834 /nfs/dbraw/zinc/07/18/34/602071834.db2.gz JQSVKOJHFRCIPR-RXMQYKEDSA-N -1 1 335.179 1.382 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(C2CC2)C2CC2)o1 ZINC000824353096 607806155 /nfs/dbraw/zinc/80/61/55/607806155.db2.gz XRKZHYXBEYVILR-UHFFFAOYSA-N -1 1 331.380 1.857 20 50 EDGDMM CC(C)[C@@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-] ZINC000824122570 603658411 /nfs/dbraw/zinc/65/84/11/603658411.db2.gz HYDXCBRVXOFYDA-LLVKDONJSA-N -1 1 348.359 1.669 20 50 EDGDMM O=C([O-])N[C@@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000832366550 604078903 /nfs/dbraw/zinc/07/89/03/604078903.db2.gz VZUFGOORJDQJIS-LLVKDONJSA-N -1 1 346.343 1.519 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)[C@@]1(C)CCCCN1C(=O)[O-] ZINC000833917455 605869123 /nfs/dbraw/zinc/86/91/23/605869123.db2.gz HUXFOOACGUTERH-CYBMUJFWSA-N -1 1 326.378 1.135 20 50 EDGDMM O=C([O-])N[C@@H](CC(F)F)C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000834134893 606065091 /nfs/dbraw/zinc/06/50/91/606065091.db2.gz LEUVJTCZYXXCHK-QMMMGPOBSA-N -1 1 341.270 1.485 20 50 EDGDMM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000826449658 608549390 /nfs/dbraw/zinc/54/93/90/608549390.db2.gz DDAPBBVMNDZZEM-UHFFFAOYSA-N -1 1 326.345 1.561 20 50 EDGDMM O=C(NN=c1[nH]c2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000826449658 608549392 /nfs/dbraw/zinc/54/93/92/608549392.db2.gz DDAPBBVMNDZZEM-UHFFFAOYSA-N -1 1 326.345 1.561 20 50 EDGDMM C[C@@H]1CN(C(=O)NNC(=O)c2cc3ccccc3o2)CCN1C(=O)[O-] ZINC000826007341 604079801 /nfs/dbraw/zinc/07/98/01/604079801.db2.gz HFIPHSAIXBQSCJ-SNVBAGLBSA-N -1 1 346.343 1.471 20 50 EDGDMM CC(C)(CNC(=O)[O-])C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000823964754 603801107 /nfs/dbraw/zinc/80/11/07/603801107.db2.gz LTHGDFVZSINETE-UHFFFAOYSA-N -1 1 326.300 1.899 20 50 EDGDMM CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000826721282 604004811 /nfs/dbraw/zinc/00/48/11/604004811.db2.gz RBGYRJDCCYSWLS-HNNXBMFYSA-N -1 1 333.348 1.605 20 50 EDGDMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC000832326223 603581734 /nfs/dbraw/zinc/58/17/34/603581734.db2.gz PPJMRVKFKYMDLQ-VXGBXAGGSA-N -1 1 328.372 1.926 20 50 EDGDMM C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000824868448 604217212 /nfs/dbraw/zinc/21/72/12/604217212.db2.gz NHWJLYMDODFXMO-SSDOTTSWSA-N -1 1 329.740 1.053 20 50 EDGDMM COCCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC000826155059 607510289 /nfs/dbraw/zinc/51/02/89/607510289.db2.gz FCYUHCQSZWDXHQ-UHFFFAOYSA-N -1 1 335.368 1.238 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000833917400 605605052 /nfs/dbraw/zinc/60/50/52/605605052.db2.gz HAIIMLBVOKTFIV-NSHDSACASA-N -1 1 348.384 1.612 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)C2CCOCC2)o1 ZINC000824353029 607889277 /nfs/dbraw/zinc/88/92/77/607889277.db2.gz UVVCTICUGKMOJP-VIFPVBQESA-N -1 1 349.395 1.484 20 50 EDGDMM CC(=NNC(=O)c1scnc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953747 608094461 /nfs/dbraw/zinc/09/44/61/608094461.db2.gz OEWIMEGXVDSISS-UHFFFAOYSA-N -1 1 333.402 1.847 20 50 EDGDMM Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)nn1 ZINC000826260617 608448122 /nfs/dbraw/zinc/44/81/22/608448122.db2.gz XHNUWWDKMYNRQA-UHFFFAOYSA-N -1 1 343.351 1.142 20 50 EDGDMM CC[C@H]1C[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182702 609151153 /nfs/dbraw/zinc/15/11/53/609151153.db2.gz LSJQOBMJKYKKEC-ZJUUUORDSA-N -1 1 349.395 1.626 20 50 EDGDMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[O-] ZINC000830049554 600669502 /nfs/dbraw/zinc/66/95/02/600669502.db2.gz GWGVWHWRMRNZAE-UHFFFAOYSA-N -1 1 337.380 1.141 20 50 EDGDMM CCc1cc(C)c(C(=O)NNC(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000827557721 605484970 /nfs/dbraw/zinc/48/49/70/605484970.db2.gz WPDGITRHYJRPIL-UHFFFAOYSA-N -1 1 338.364 1.237 20 50 EDGDMM CNc1nc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cs1 ZINC000826090435 608078028 /nfs/dbraw/zinc/07/80/28/608078028.db2.gz HQCDZRUIMPNJIL-UHFFFAOYSA-N -1 1 349.380 1.233 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)COC2(C)CCC2)o1 ZINC000824358454 607509523 /nfs/dbraw/zinc/50/95/23/607509523.db2.gz KMMSFPRBECCFEK-UHFFFAOYSA-N -1 1 335.368 1.380 20 50 EDGDMM CCC1(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCOCC1 ZINC000825165106 609450130 /nfs/dbraw/zinc/45/01/30/609450130.db2.gz SKUSXMRJOCOMOJ-UHFFFAOYSA-N -1 1 349.395 1.628 20 50 EDGDMM N#CC(=Cc1ccc(O)cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826379554 607612561 /nfs/dbraw/zinc/61/25/61/607612561.db2.gz VIWRBUUIRLQYMB-NTUHNPAUSA-N -1 1 348.322 1.618 20 50 EDGDMM O=C([O-])NCC(=O)NNC(=O)c1sccc1SC(F)F ZINC000834203632 605461889 /nfs/dbraw/zinc/46/18/89/605461889.db2.gz YBUJRMRREIQCJV-UHFFFAOYSA-N -1 1 325.318 1.091 20 50 EDGDMM Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826237401 607392886 /nfs/dbraw/zinc/39/28/86/607392886.db2.gz YIXQMGKEELYLJE-UHFFFAOYSA-N -1 1 329.751 1.980 20 50 EDGDMM Cc1c(Cl)cccc1NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826237401 607392888 /nfs/dbraw/zinc/39/28/88/607392888.db2.gz YIXQMGKEELYLJE-UHFFFAOYSA-N -1 1 329.751 1.980 20 50 EDGDMM O=C(NNc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449086 607393756 /nfs/dbraw/zinc/39/37/56/607393756.db2.gz ASJUGKJJKYCYHA-UHFFFAOYSA-N -1 1 335.371 1.897 20 50 EDGDMM O=C(NNc1cccc2c1CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449086 607393758 /nfs/dbraw/zinc/39/37/58/607393758.db2.gz ASJUGKJJKYCYHA-UHFFFAOYSA-N -1 1 335.371 1.897 20 50 EDGDMM CC(C)[C@H](CNC(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-] ZINC000824122571 603658433 /nfs/dbraw/zinc/65/84/33/603658433.db2.gz HYDXCBRVXOFYDA-NSHDSACASA-N -1 1 348.359 1.669 20 50 EDGDMM O=C([O-])N1CCC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000831742530 604005620 /nfs/dbraw/zinc/00/56/20/604005620.db2.gz JJBXHGFRPOMTFC-SECBINFHSA-N -1 1 331.332 1.169 20 50 EDGDMM COc1cc(C)[n-]c(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000826178833 607700218 /nfs/dbraw/zinc/70/02/18/607700218.db2.gz OKKZFQFTJNIXNR-UHFFFAOYSA-N -1 1 340.347 1.039 20 50 EDGDMM O=C([O-])N[C@@H](CCC(=O)NNc1ncc(F)cn1)c1ccccc1 ZINC000834138732 605612774 /nfs/dbraw/zinc/61/27/74/605612774.db2.gz WLDIKYIPACWIMY-LBPRGKRZSA-N -1 1 333.323 1.848 20 50 EDGDMM O=C([O-])N[C@@H](CCC(=O)NN=c1ncc(F)c[nH]1)c1ccccc1 ZINC000834138732 605612779 /nfs/dbraw/zinc/61/27/79/605612779.db2.gz WLDIKYIPACWIMY-LBPRGKRZSA-N -1 1 333.323 1.848 20 50 EDGDMM Cc1nc(C(C)(C)C)sc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833912060 605975926 /nfs/dbraw/zinc/97/59/26/605975926.db2.gz BNUUOSSRHWBEKJ-UHFFFAOYSA-N -1 1 342.421 1.558 20 50 EDGDMM O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823281107 606517178 /nfs/dbraw/zinc/51/71/78/606517178.db2.gz MKBFWBYPCPHLQJ-UHFFFAOYSA-N -1 1 331.317 1.593 20 50 EDGDMM O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823281107 606517179 /nfs/dbraw/zinc/51/71/79/606517179.db2.gz MKBFWBYPCPHLQJ-UHFFFAOYSA-N -1 1 331.317 1.593 20 50 EDGDMM O=C([O-])NCCNC(=O)NNC(=O)c1cc2cccc(Cl)c2o1 ZINC000832653097 603892091 /nfs/dbraw/zinc/89/20/91/603892091.db2.gz QUVFVMWKCANRSD-UHFFFAOYSA-N -1 1 340.723 1.298 20 50 EDGDMM CC(=NNC(=O)CNc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948714 608091607 /nfs/dbraw/zinc/09/16/07/608091607.db2.gz UVXPVBXWUWCUMY-UHFFFAOYSA-N -1 1 341.400 1.881 20 50 EDGDMM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000833149413 601209540 /nfs/dbraw/zinc/20/95/40/601209540.db2.gz PRXQFMWEDCAUQJ-IUCAKERBSA-N -1 1 340.763 1.698 20 50 EDGDMM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000834136169 605319131 /nfs/dbraw/zinc/31/91/31/605319131.db2.gz QYGCQWQCJICIKG-VKHMYHEASA-N -1 1 348.253 1.896 20 50 EDGDMM O=C([O-])N[C@@H](C(=O)NN=c1ncc(F)c[nH]1)c1cccc(Cl)c1 ZINC000834122367 605692372 /nfs/dbraw/zinc/69/23/72/605692372.db2.gz QCPUTHSYETVOMC-SNVBAGLBSA-N -1 1 339.714 1.721 20 50 EDGDMM O=C([O-])NC[C@@H]1CCCCN1CCCI ZINC000834217792 605869942 /nfs/dbraw/zinc/86/99/42/605869942.db2.gz FRYPPIQNRJQPEO-VIFPVBQESA-N -1 1 326.178 1.934 20 50 EDGDMM C[C@@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1 ZINC000826053150 601656462 /nfs/dbraw/zinc/65/64/62/601656462.db2.gz ISHBPIMUHBXBLD-RISCZKNCSA-N -1 1 335.404 1.232 20 50 EDGDMM O=C([O-])NC1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 ZINC000832374977 604081345 /nfs/dbraw/zinc/08/13/45/604081345.db2.gz BBICGUFKSVEVRG-UHFFFAOYSA-N -1 1 346.343 1.519 20 50 EDGDMM O=C([O-])N1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 ZINC000831742925 604081498 /nfs/dbraw/zinc/08/14/98/604081498.db2.gz WARDETIFLPFLQC-UHFFFAOYSA-N -1 1 332.316 1.083 20 50 EDGDMM CC(=NNC(=O)NCC(=O)[O-])c1cc(Br)c(F)cc1O ZINC000833384157 605589022 /nfs/dbraw/zinc/58/90/22/605589022.db2.gz FHMYFHMFFPCDLY-UHFFFAOYSA-N -1 1 348.128 1.402 20 50 EDGDMM CS[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826224808 607936770 /nfs/dbraw/zinc/93/67/70/607936770.db2.gz MEBKGXLLZQAMNR-ZETCQYMHSA-N -1 1 325.398 1.563 20 50 EDGDMM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000833454173 605702825 /nfs/dbraw/zinc/70/28/25/605702825.db2.gz FEFDUSYVQXYNMH-UHFFFAOYSA-N -1 1 328.752 1.698 20 50 EDGDMM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000824212031 605769340 /nfs/dbraw/zinc/76/93/40/605769340.db2.gz XEWCBZBRKVSCHP-NSHDSACASA-N -1 1 333.344 1.876 20 50 EDGDMM O=C([O-])N1CSC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000831736392 603497327 /nfs/dbraw/zinc/49/73/27/603497327.db2.gz KUXLSPKUFBALTC-SECBINFHSA-N -1 1 335.341 1.247 20 50 EDGDMM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832338373 603498200 /nfs/dbraw/zinc/49/82/00/603498200.db2.gz HLQORMABOBQULM-WDEREUQCSA-N -1 1 331.328 1.630 20 50 EDGDMM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832338372 603498381 /nfs/dbraw/zinc/49/83/81/603498381.db2.gz HLQORMABOBQULM-QWRGUYRKSA-N -1 1 331.328 1.630 20 50 EDGDMM C[C@]1([NH2+]CC(=O)N[N-]C(=O)c2cccs2)CCCC[C@H]1C(=O)[O-] ZINC000833567713 605243432 /nfs/dbraw/zinc/24/34/32/605243432.db2.gz BZVQSWOMZMFAIC-BONVTDFDSA-N -1 1 339.417 1.132 20 50 EDGDMM O=C([O-])NCCC(=O)NN=CC1(CN2CCOCC2)CCCCC1 ZINC000834227698 605747881 /nfs/dbraw/zinc/74/78/81/605747881.db2.gz JLQDJCFKQBDVSI-UHFFFAOYSA-N -1 1 340.424 1.029 20 50 EDGDMM C[C@]1(C(=O)NNc2nc(C(F)(F)F)cs2)CCN(C(=O)[O-])C1 ZINC000825678971 603481757 /nfs/dbraw/zinc/48/17/57/603481757.db2.gz UIRHLNWECVKONK-JTQLQIEISA-N -1 1 338.311 1.995 20 50 EDGDMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000832325386 604005493 /nfs/dbraw/zinc/00/54/93/604005493.db2.gz LDKXKUVYTIQSFI-ZJUUUORDSA-N -1 1 345.359 1.605 20 50 EDGDMM C[C@@H](Sc1ccccc1C(=O)NNc1ncc(F)cn1)C(=O)[O-] ZINC000833545597 604983758 /nfs/dbraw/zinc/98/37/58/604983758.db2.gz UHUQRLCRJNBBID-MRVPVSSYSA-N -1 1 336.348 1.938 20 50 EDGDMM C[C@@H](Sc1ccccc1C(=O)NN=c1ncc(F)c[nH]1)C(=O)[O-] ZINC000833545597 604983760 /nfs/dbraw/zinc/98/37/60/604983760.db2.gz UHUQRLCRJNBBID-MRVPVSSYSA-N -1 1 336.348 1.938 20 50 EDGDMM O=C([O-])NCCC(=O)NNC(=O)c1cnc(-c2ccccc2)s1 ZINC000834229069 605843806 /nfs/dbraw/zinc/84/38/06/605843806.db2.gz UUBOSSOTJJVWGD-UHFFFAOYSA-N -1 1 334.357 1.229 20 50 EDGDMM CC(=NNC(=O)c1ccc(O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948676 608091753 /nfs/dbraw/zinc/09/17/53/608091753.db2.gz UIRIBKUQAPMEFK-UHFFFAOYSA-N -1 1 328.357 1.788 20 50 EDGDMM O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000831736723 603497399 /nfs/dbraw/zinc/49/73/99/603497399.db2.gz TUFNDOCNVWBMEJ-NSHDSACASA-N -1 1 331.328 1.584 20 50 EDGDMM O=C([O-])NC[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)C1CC1 ZINC000832427559 603666385 /nfs/dbraw/zinc/66/63/85/603666385.db2.gz JYBZGOZNEHRBID-NSHDSACASA-N -1 1 346.343 1.423 20 50 EDGDMM CN(CC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2)C(=O)[O-] ZINC000828114971 603734924 /nfs/dbraw/zinc/73/49/24/603734924.db2.gz NFFPZQAJBLYVSH-UHFFFAOYSA-N -1 1 342.359 1.080 20 50 EDGDMM Cc1ccc(C(F)(F)C(=O)NNC(=O)CCCNC(=O)[O-])cc1 ZINC000833903924 605786762 /nfs/dbraw/zinc/78/67/62/605786762.db2.gz GNBHDXCCOLPOGG-UHFFFAOYSA-N -1 1 329.303 1.282 20 50 EDGDMM O=C([O-])NCCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000834228869 605843873 /nfs/dbraw/zinc/84/38/73/605843873.db2.gz RMLBNEOGMVVWPX-UHFFFAOYSA-N -1 1 335.291 1.504 20 50 EDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(C)(Cl)Cl)o1 ZINC000824353142 609258868 /nfs/dbraw/zinc/25/88/68/609258868.db2.gz YUZIZLOOVPDXGB-UHFFFAOYSA-N -1 1 334.167 1.615 20 50 EDGDMM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccc(Br)s1 ZINC000827303855 602071603 /nfs/dbraw/zinc/07/16/03/602071603.db2.gz JQSVKOJHFRCIPR-YFKPBYRVSA-N -1 1 335.179 1.382 20 50 EDGDMM CC(C)N1CC(=NNC(=O)NC2CCN(C(=O)[O-])CC2)[C@@H](C)C1 ZINC000826040979 604045757 /nfs/dbraw/zinc/04/57/57/604045757.db2.gz FAQKHUIWAYVFLE-NSHDSACASA-N -1 1 325.413 1.144 20 50 EDGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000833180126 601440211 /nfs/dbraw/zinc/44/02/11/601440211.db2.gz YQVPHKCGYCUXBE-QWRGUYRKSA-N -1 1 339.355 1.191 20 50 EDGDMM Cc1cc(NNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)nc(C)n1 ZINC000830121534 605350253 /nfs/dbraw/zinc/35/02/53/605350253.db2.gz DHKKWZQDDKNVQZ-JTQLQIEISA-N -1 1 335.408 1.953 20 50 EDGDMM Cc1cnc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)c1 ZINC000826317846 609152191 /nfs/dbraw/zinc/15/21/91/609152191.db2.gz OMRUNMMESOXBIF-UHFFFAOYSA-N -1 1 342.363 1.747 20 50 EDGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000833180125 601440290 /nfs/dbraw/zinc/44/02/90/601440290.db2.gz YQVPHKCGYCUXBE-MNOVXSKESA-N -1 1 339.355 1.191 20 50 EDGDMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC000832326220 603581591 /nfs/dbraw/zinc/58/15/91/603581591.db2.gz PPJMRVKFKYMDLQ-NEPJUHHUSA-N -1 1 328.372 1.926 20 50 EDGDMM CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000823964829 603797187 /nfs/dbraw/zinc/79/71/87/603797187.db2.gz ONQLGKPAISIKTB-UHFFFAOYSA-N -1 1 329.740 1.100 20 50 EDGDMM C[C@H](C(=O)NN=c1ncc(F)c[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833790587 605607015 /nfs/dbraw/zinc/60/70/15/605607015.db2.gz QGULSHIZPWRNQT-JOYOIKCWSA-N -1 1 333.323 1.704 20 50 EDGDMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000826027495 604077221 /nfs/dbraw/zinc/07/72/21/604077221.db2.gz ULAUSHOZLKVKHU-JTQLQIEISA-N -1 1 346.343 1.471 20 50 EDGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000833180127 601440169 /nfs/dbraw/zinc/44/01/69/601440169.db2.gz YQVPHKCGYCUXBE-WDEREUQCSA-N -1 1 339.355 1.191 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000832277786 603502945 /nfs/dbraw/zinc/50/29/45/603502945.db2.gz KLNOVGQZISNXGS-VXNVDRBHSA-N -1 1 341.751 1.243 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1csc(-c2ccccc2)n1 ZINC000834230087 605979306 /nfs/dbraw/zinc/97/93/06/605979306.db2.gz PXTVQSBDNOARKT-UHFFFAOYSA-N -1 1 348.384 1.619 20 50 EDGDMM O=C([O-])CSCCNC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833262497 601334748 /nfs/dbraw/zinc/33/47/48/601334748.db2.gz RRLMJSZEDDNWQF-UHFFFAOYSA-N -1 1 337.357 1.195 20 50 EDGDMM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832338370 603498296 /nfs/dbraw/zinc/49/82/96/603498296.db2.gz HLQORMABOBQULM-GHMZBOCLSA-N -1 1 331.328 1.630 20 50 EDGDMM O=C([O-])N1CCC[C@H]1CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000831338692 604005509 /nfs/dbraw/zinc/00/55/09/604005509.db2.gz BBXIYFLQEFUXKD-VIFPVBQESA-N -1 1 331.332 1.311 20 50 EDGDMM O=C([O-])N[C@@H](CC(=O)NN=c1ncc(F)c[nH]1)Cc1ccccc1 ZINC000834125138 605612974 /nfs/dbraw/zinc/61/29/74/605612974.db2.gz AHHSGWHVTXCPAR-GFCCVEGCSA-N -1 1 333.323 1.328 20 50 EDGDMM O=C([O-])[C@@H]1CCC[C@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000833183379 602049386 /nfs/dbraw/zinc/04/93/86/602049386.db2.gz CWRGJCLFOKSTEA-VHSXEESVSA-N -1 1 330.344 1.670 20 50 EDGDMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834050357 605692186 /nfs/dbraw/zinc/69/21/86/605692186.db2.gz YFKVKQLUETUNQA-LBPRGKRZSA-N -1 1 331.307 1.336 20 50 EDGDMM O=C([O-])N1CCC[C@H]1CNC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000831645275 603652296 /nfs/dbraw/zinc/65/22/96/603652296.db2.gz BJCDGUIRCGLZJE-NSHDSACASA-N -1 1 346.343 1.519 20 50 EDGDMM O=C([O-])C[C@H]1CCCN1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833209283 604528600 /nfs/dbraw/zinc/52/86/00/604528600.db2.gz DSQJEZFIBYNWCE-LLVKDONJSA-N -1 1 331.328 1.726 20 50 EDGDMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2O)C1 ZINC000832277785 603502573 /nfs/dbraw/zinc/50/25/73/603502573.db2.gz KLNOVGQZISNXGS-IONNQARKSA-N -1 1 341.751 1.243 20 50 EDGDMM C[C@@H](NC(=O)[O-])C(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000825185975 603920549 /nfs/dbraw/zinc/92/05/49/603920549.db2.gz KTUPMRJKAALYPF-SECBINFHSA-N -1 1 342.359 1.127 20 50 EDGDMM CS[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826224807 607936730 /nfs/dbraw/zinc/93/67/30/607936730.db2.gz MEBKGXLLZQAMNR-SSDOTTSWSA-N -1 1 325.398 1.563 20 50 EDGDMM CCC(CC)NC(=O)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825107549 608094638 /nfs/dbraw/zinc/09/46/38/608094638.db2.gz QQFJWTFQFJFSGP-UHFFFAOYSA-N -1 1 349.420 1.073 20 50 EDGDMM CCc1nn(C)cc1C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825759448 608158683 /nfs/dbraw/zinc/15/86/83/608158683.db2.gz HKEZXDJTDQLSNU-UHFFFAOYSA-N -1 1 345.367 1.031 20 50 EDGDMM Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826272769 609262880 /nfs/dbraw/zinc/26/28/80/609262880.db2.gz AHHRFOPGRARYGY-UHFFFAOYSA-N -1 1 346.354 1.875 20 50 EDGDMM Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826272769 609262882 /nfs/dbraw/zinc/26/28/82/609262882.db2.gz AHHRFOPGRARYGY-UHFFFAOYSA-N -1 1 346.354 1.875 20 50 EDGDMM COCCC[C@@H](C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826155558 609379590 /nfs/dbraw/zinc/37/95/90/609379590.db2.gz UPPCADIZELIOLB-SECBINFHSA-N -1 1 337.384 1.484 20 50 EDGDMM Cc1ncsc1C(=O)NNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830224887 602863978 /nfs/dbraw/zinc/86/39/78/602863978.db2.gz CDQKZXQKYKDCDT-UHFFFAOYSA-N -1 1 334.357 1.925 20 50 EDGDMM CC(=NNC(=O)Cc1csc(C)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948737 608092418 /nfs/dbraw/zinc/09/24/18/608092418.db2.gz VORGLXJIJMHHDI-UHFFFAOYSA-N -1 1 347.429 1.776 20 50 EDGDMM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(F)cc1O ZINC000826446025 608580246 /nfs/dbraw/zinc/58/02/46/608580246.db2.gz VWTCQIDSYLMNJO-UHFFFAOYSA-N -1 1 349.713 1.517 20 50 EDGDMM COC(=O)c1sc(N=CC(C#N)C#N)c(C(=O)OC)c1CC(=O)[O-] ZINC000831479565 601350471 /nfs/dbraw/zinc/35/04/71/601350471.db2.gz QOMZPIFIGCROKA-UHFFFAOYSA-N -1 1 349.324 1.291 20 50 EDGDMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000833183380 602049616 /nfs/dbraw/zinc/04/96/16/602049616.db2.gz CWRGJCLFOKSTEA-ZJUUUORDSA-N -1 1 330.344 1.670 20 50 EDGDMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834184949 605613700 /nfs/dbraw/zinc/61/37/00/605613700.db2.gz PGDVXEMAMXYZAU-GHMZBOCLSA-N -1 1 325.344 1.665 20 50 EDGDMM O=C([O-])NCCCC(=O)NNC(=O)c1cnc(-c2ccccc2)s1 ZINC000834230349 605977948 /nfs/dbraw/zinc/97/79/48/605977948.db2.gz XUCANASLGVYMML-UHFFFAOYSA-N -1 1 348.384 1.619 20 50 EDGDMM C[C@H](C(=O)[O-])[C@H](NCC(=O)NNC(=O)C(C)(C)C)c1ccccc1 ZINC000826053149 601656449 /nfs/dbraw/zinc/65/64/49/601656449.db2.gz ISHBPIMUHBXBLD-FZMZJTMJSA-N -1 1 335.404 1.232 20 50 EDGDMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)C1 ZINC000833183377 602049401 /nfs/dbraw/zinc/04/94/01/602049401.db2.gz CWRGJCLFOKSTEA-NXEZZACHSA-N -1 1 330.344 1.670 20 50 EDGDMM