smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CNC(=O)[O-])C(=O)NNC(=O)C1CCCC1 ZINC000823960997 603629362 /nfs/dbraw/zinc/62/93/62/603629362.db2.gz YDILVLBKPVGDQK-UHFFFAOYSA-N -1 0 271.317 0.618 20 50 CCGDRM CC(C)NC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826976261 600913975 /nfs/dbraw/zinc/91/39/75/600913975.db2.gz PKNCJCRXQHKJMW-DTWKUNHWSA-N -1 0 271.317 0.616 20 50 CCGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)C2CCC2)C1 ZINC000833183259 600945462 /nfs/dbraw/zinc/94/54/62/600945462.db2.gz CMWCKFCPGWXAMM-UWVGGRQHSA-N -1 0 268.313 0.825 20 50 CCGDRM Cc1cc(C(=O)NN=Cc2cc(C(=O)[O-])ccc2O)[nH]n1 ZINC000832864393 602185564 /nfs/dbraw/zinc/18/55/64/602185564.db2.gz BWWXYXYMWDHIEP-UHFFFAOYSA-N -1 0 288.263 0.886 20 50 CCGDRM O=C([O-])NNC(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000832743886 603219336 /nfs/dbraw/zinc/21/93/36/603219336.db2.gz CJTISHXIOCQCCP-NSHDSACASA-N -1 0 297.286 0.498 20 50 CCGDRM O=C([O-])NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000832743862 603629313 /nfs/dbraw/zinc/62/93/13/603629313.db2.gz BKJLZUPJNXGLAM-VIFPVBQESA-N -1 0 298.343 0.649 20 50 CCGDRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NNc1cccc(Cl)c1 ZINC000831742809 603645998 /nfs/dbraw/zinc/64/59/98/603645998.db2.gz RVAXNVJRUCLCCZ-UWVGGRQHSA-N -1 0 299.714 0.896 20 50 CCGDRM Cn1ccnc(NNC(=O)CCC(C)(C)NC(=O)[O-])c1=O ZINC000831031681 603702036 /nfs/dbraw/zinc/70/20/36/603702036.db2.gz SYOXGPDIDBGPRR-UHFFFAOYSA-N -1 0 297.315 0.050 20 50 CCGDRM Cc1ccc(CCC(=O)NNC(=O)NCCNC(=O)[O-])o1 ZINC000830296223 603941651 /nfs/dbraw/zinc/94/16/51/603941651.db2.gz IMFRWTXBZBKBSH-UHFFFAOYSA-N -1 0 298.299 0.119 20 50 CCGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)NCC2CC2)C1 ZINC000832280407 603958668 /nfs/dbraw/zinc/95/86/68/603958668.db2.gz VEHVGKSLLXYQEM-IUCAKERBSA-N -1 0 284.316 0.163 20 50 CCGDRM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNC(=O)NCC2CC2)C1 ZINC000832280399 603958900 /nfs/dbraw/zinc/95/89/00/603958900.db2.gz 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ZINC000832749076 604826326 /nfs/dbraw/zinc/82/63/26/604826326.db2.gz ZYRGCCHXMRBPPE-UHFFFAOYSA-N -1 0 268.273 0.959 20 50 CCGDRM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)[O-])C1 ZINC000823805528 605188317 /nfs/dbraw/zinc/18/83/17/605188317.db2.gz TXHFKFGETVJLQL-MRVPVSSYSA-N -1 0 287.316 0.932 20 50 CCGDRM CCOc1cc([N+](=O)[O-])c(C(=O)NNC(=O)[O-])cc1OC ZINC000827419081 605188536 /nfs/dbraw/zinc/18/85/36/605188536.db2.gz XNCWNCHCNRMJFD-UHFFFAOYSA-N -1 0 299.239 0.915 20 50 CCGDRM O=C([O-])NNC(=O)c1cccnc1N1CCCC1 ZINC000832748019 605189480 /nfs/dbraw/zinc/18/94/80/605189480.db2.gz AYAQTVHGBPJTEC-UHFFFAOYSA-N -1 0 250.258 0.594 20 50 CCGDRM CC(C)NC(=O)NNC(=O)Cc1ccccc1C(=O)[O-] ZINC000833502924 605239873 /nfs/dbraw/zinc/23/98/73/605239873.db2.gz INAYQJYCBPCVQF-UHFFFAOYSA-N -1 0 279.296 0.666 20 50 CCGDRM CC(=O)N(C)CC(=O)NNc1ccccc1C(=O)[O-] ZINC000833388754 605281724 /nfs/dbraw/zinc/28/17/24/605281724.db2.gz YSVYWCBTEDAOGM-UHFFFAOYSA-N -1 0 265.269 0.306 20 50 CCGDRM O=C([O-])NCC(=O)NN=C1CCOc2c(F)ccc(F)c21 ZINC000834199999 605307006 /nfs/dbraw/zinc/30/70/06/605307006.db2.gz USLSCUREXYLEKK-UHFFFAOYSA-N -1 0 299.233 0.835 20 50 CCGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cccnn1 ZINC000834134721 605317454 /nfs/dbraw/zinc/31/74/54/605317454.db2.gz KLAXHYQAKBEVEG-YFKPBYRVSA-N -1 0 275.215 0.211 20 50 CCGDRM O=C([O-])NCC(=O)NN=Cc1ccccc1[N+](=O)[O-] ZINC000834200718 605384126 /nfs/dbraw/zinc/38/41/26/605384126.db2.gz AINDOMQPUYGYSZ-UHFFFAOYSA-N -1 0 266.213 0.313 20 50 CCGDRM O=C([O-])NCC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-] ZINC000834200095 605386382 /nfs/dbraw/zinc/38/63/82/605386382.db2.gz XPEFVRFPDJJMCN-MTHCQHNGSA-N -1 0 292.251 0.978 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000834200331 605444474 /nfs/dbraw/zinc/44/44/74/605444474.db2.gz HODRXOAHVMMBIR-VHSXEESVSA-N -1 0 295.270 0.344 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)/C=C/c1ccsc1 ZINC000834200705 605447459 /nfs/dbraw/zinc/44/74/59/605447459.db2.gz OWWPIDFROJSLRA-OWOJBTEDSA-N -1 0 269.282 0.176 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000834200043 605447571 /nfs/dbraw/zinc/44/75/71/605447571.db2.gz CKXDUOCNXXSQTN-NXEZZACHSA-N -1 0 283.328 0.618 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000834200953 605456726 /nfs/dbraw/zinc/45/67/26/605456726.db2.gz DPFFZWRJTPBMTI-GFCCVEGCSA-N -1 0 291.307 0.595 20 50 CCGDRM Cn1c(C(=O)NNC(=O)CNC(=O)[O-])cc2ccccc21 ZINC000833940310 605456883 /nfs/dbraw/zinc/45/68/83/605456883.db2.gz LFWCACHNLKQBJE-UHFFFAOYSA-N -1 0 290.279 0.207 20 50 CCGDRM O=C([O-])NCCC=NNC(=O)Cn1cnc2ccccc21 ZINC000832604991 605461614 /nfs/dbraw/zinc/46/16/14/605461614.db2.gz GFAAZUUDJKGUAB-UHFFFAOYSA-N -1 0 289.295 0.796 20 50 CCGDRM N#Cc1ccc(C(=O)NN=CCCNC(=O)[O-])cc1 ZINC000831122723 605464085 /nfs/dbraw/zinc/46/40/85/605464085.db2.gz PVOAOCUDKGDDEA-UHFFFAOYSA-N -1 0 260.253 0.932 20 50 CCGDRM CC(=NNC(=O)NCC(=O)[O-])c1csc(C)n1 ZINC000833385266 605587377 /nfs/dbraw/zinc/58/73/77/605587377.db2.gz UOMOWRMCKWMKAO-UHFFFAOYSA-N -1 0 256.287 0.559 20 50 CCGDRM O=C([O-])N1CCCC[C@@H]1C(=O)NNc1ncc(F)cn1 ZINC000834048539 605692264 /nfs/dbraw/zinc/69/22/64/605692264.db2.gz MRFZVYUNKFXRFJ-MRVPVSSYSA-N -1 0 283.263 0.591 20 50 CCGDRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NNc1ccccc1Cl ZINC000834050578 605724773 /nfs/dbraw/zinc/72/47/73/605724773.db2.gz ZQRSWZLYXJQPRX-XVKPBYJWSA-N -1 0 299.714 0.896 20 50 CCGDRM CC(=O)N[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)C(C)C ZINC000833394637 605731593 /nfs/dbraw/zinc/73/15/93/605731593.db2.gz CJLVJXDCAZHBTB-LBPRGKRZSA-N -1 0 293.323 0.989 20 50 CCGDRM CCc1ncc(C=NNC(=O)CCNC(=O)[O-])s1 ZINC000833867665 605746372 /nfs/dbraw/zinc/74/63/72/605746372.db2.gz WSILGUCFCSBAQG-UHFFFAOYSA-N -1 0 270.314 0.813 20 50 CCGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(Cl)nc1 ZINC000834226847 605747205 /nfs/dbraw/zinc/74/72/05/605747205.db2.gz DNCXBFGGJJXYQG-UHFFFAOYSA-N -1 0 270.676 0.843 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=Cc1cn2ccccc2n1 ZINC000834228341 605797120 /nfs/dbraw/zinc/79/71/20/605797120.db2.gz FMESVRBNDKMKFC-UHFFFAOYSA-N -1 0 289.295 0.832 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=Cc1cccc2c1OCO2 ZINC000834229065 605800381 /nfs/dbraw/zinc/80/03/81/605800381.db2.gz ZKQZHKISDGLBSF-UHFFFAOYSA-N -1 0 293.279 0.913 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)CC[C@@H]1CCCCO1 ZINC000834227188 605842262 /nfs/dbraw/zinc/84/22/62/605842262.db2.gz NGMDCYBXANQFQQ-VIFPVBQESA-N -1 0 287.316 0.141 20 50 CCGDRM O=C([O-])N[C@H]1CCCC1=NNC(=O)Cc1ccncc1 ZINC000834169078 605860883 /nfs/dbraw/zinc/86/08/83/605860883.db2.gz KOBNAZSYQSDGDP-JTQLQIEISA-N -1 0 276.296 0.916 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)CC[C@@H]1CCCO1 ZINC000834230514 605978009 /nfs/dbraw/zinc/97/80/09/605978009.db2.gz GCVOQKBUZDOIRO-VIFPVBQESA-N -1 0 287.316 0.141 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)CCc1ccsc1 ZINC000834231016 605978386 /nfs/dbraw/zinc/97/83/86/605978386.db2.gz KFICPRVTJOPRCF-UHFFFAOYSA-N -1 0 299.352 0.876 20 50 CCGDRM O=C([O-])NNC(=O)c1cccc(Br)n1 ZINC000834250076 605979142 /nfs/dbraw/zinc/97/91/42/605979142.db2.gz CYZULVMZEAMBGV-UHFFFAOYSA-N -1 0 260.047 0.757 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)/C=C\C1CC1 ZINC000834231704 605979747 /nfs/dbraw/zinc/97/97/47/605979747.db2.gz RGWFSXKGMSPFLP-WAYWQWQTSA-N -1 0 255.274 0.148 20 50 CCGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NNC(=O)c1ccoc1 ZINC000834136708 606027181 /nfs/dbraw/zinc/02/71/81/606027181.db2.gz VFWVOQXIBOICSS-LURJTMIESA-N -1 0 291.210 0.332 20 50 CCGDRM CCC1(CNC(=O)NNC(=O)C(=O)[O-])CCCC1 ZINC001595379141 980917367 /nfs/dbraw/zinc/91/73/67/980917367.db2.gz WYLFWPHGDRGYEI-UHFFFAOYSA-N -1 0 257.290 0.372 20 50 CCGDRM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CBr ZINC000307205111 950610870 /nfs/dbraw/zinc/61/08/70/950610870.db2.gz JELMURKCOBDFNI-LURJTMIESA-N -1 0 286.147 0.608 20 50 CCGDRM O=C([O-])CCCCNC(=O)NNC(=O)[C@@H]1CCCCO1 ZINC001601988321 971115327 /nfs/dbraw/zinc/11/53/27/971115327.db2.gz UFRRTYQUHRFJPG-VIFPVBQESA-N -1 0 287.316 0.141 20 50 CCGDRM C#CCCCC(=O)NNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001602675263 971246630 /nfs/dbraw/zinc/24/66/30/971246630.db2.gz OKVHECDTQJHZHN-UHFFFAOYSA-N -1 0 274.276 0.949 20 50 CCGDRM COc1ccc(CCC(=O)NNC(=O)CCC(=O)[O-])cc1 ZINC000049895803 948916432 /nfs/dbraw/zinc/91/64/32/948916432.db2.gz UOIKXWNZOZXWER-UHFFFAOYSA-N -1 0 294.307 0.640 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccn[nH]2)cc1 ZINC001595220772 949241384 /nfs/dbraw/zinc/24/13/84/949241384.db2.gz DAIZGRXAVAPDHH-UHFFFAOYSA-N -1 0 274.236 0.183 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(C#N)cc1 ZINC001602804017 971582202 /nfs/dbraw/zinc/58/22/02/971582202.db2.gz DCDZOOVGECINIX-SSDOTTSWSA-N -1 0 261.237 0.040 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNc1nc2ccccc2c(=O)n1C ZINC001602806851 971592869 /nfs/dbraw/zinc/59/28/69/971592869.db2.gz ZEMVGGFHTFCSKL-SSDOTTSWSA-N -1 0 290.279 0.097 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001595262279 949684777 /nfs/dbraw/zinc/68/47/77/949684777.db2.gz WUHYVEOFSVQROV-ZANVPECISA-N -1 0 277.280 0.650 20 50 CCGDRM CCN1CC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589741528 950604060 /nfs/dbraw/zinc/60/40/60/950604060.db2.gz RIKSATCUUDZDIP-SECBINFHSA-N -1 0 264.285 0.317 20 50 CCGDRM CCOC(=O)C(C#N)=CN[C@H](Cc1ccncc1)C(=O)[O-] ZINC001590037085 950750001 /nfs/dbraw/zinc/75/00/01/950750001.db2.gz FDUPYOLJEJUILB-LMMOQWNQSA-N -1 0 289.291 0.637 20 50 CCGDRM CCOC(=O)[C@@H](CC)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001590130173 950809735 /nfs/dbraw/zinc/80/97/35/950809735.db2.gz XAPATIHGCYLVMF-QMMMGPOBSA-N -1 0 295.295 0.812 20 50 CCGDRM O=C([O-])CCC(=O)NNC(=O)Cc1ccsc1 ZINC001594996641 951087093 /nfs/dbraw/zinc/08/70/93/951087093.db2.gz DSKAFNRRQLHXDI-UHFFFAOYSA-N -1 0 256.283 0.303 20 50 CCGDRM O=C([O-])COCC(=O)NN=c1nc[nH]c2ccsc21 ZINC001595106994 951881613 /nfs/dbraw/zinc/88/16/13/951881613.db2.gz HGHPKNQVHYUWES-UHFFFAOYSA-N -1 0 282.281 0.236 20 50 CCGDRM CC(C)C(=O)NNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001602959062 971940018 /nfs/dbraw/zinc/94/00/18/971940018.db2.gz CZQAWKOQHFYTPL-LLVKDONJSA-N -1 0 299.371 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O=C([O-])C1CCC(=NNC(=O)[C@H]2COCCO2)CC1 ZINC000814860468 955364288 /nfs/dbraw/zinc/36/42/88/955364288.db2.gz HHDDUVOQRWUBQQ-LHIURRSHSA-N -1 0 270.285 0.149 20 50 CCGDRM CC[C@@H](C(=O)NNC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000818132511 955386258 /nfs/dbraw/zinc/38/62/58/955386258.db2.gz ZQTKTTKZUOBQKU-LLVKDONJSA-N -1 0 293.323 0.985 20 50 CCGDRM O=C([O-])CCNC(=O)NNC(=O)Cc1ccc(Cl)cc1 ZINC000819492654 955449111 /nfs/dbraw/zinc/44/91/11/955449111.db2.gz XJXQBPSTVNGZCU-UHFFFAOYSA-N -1 0 299.714 0.688 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)NCCCCC(=O)[O-] ZINC000819901632 955461104 /nfs/dbraw/zinc/46/11/04/955461104.db2.gz NOYSROSFVABZIM-UHFFFAOYSA-N -1 0 259.306 0.618 20 50 CCGDRM N#Cc1cccc(NNC(=O)CSCC(=O)[O-])c1 ZINC000821340515 955499847 /nfs/dbraw/zinc/49/98/47/955499847.db2.gz JVGPPOBNSRCELF-UHFFFAOYSA-N -1 0 265.294 0.819 20 50 CCGDRM O=C([O-])C1CCC(=NNC(=O)C(=O)NC2CC2)CC1 ZINC000821451668 955506209 /nfs/dbraw/zinc/50/62/09/955506209.db2.gz GDYJZYIXLCKVSK-UHFFFAOYSA-N -1 0 267.285 0.012 20 50 CCGDRM Cn1cc(/C=C(\C#N)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC001594536918 955582648 /nfs/dbraw/zinc/58/26/48/955582648.db2.gz GKTWCBLXTFSNMA-GJIAFCOMSA-N -1 0 288.307 0.650 20 50 CCGDRM Cn1ccc(NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001594550176 955719735 /nfs/dbraw/zinc/71/97/35/955719735.db2.gz AVESRYSTEYHSSD-DTWKUNHWSA-N -1 0 282.300 0.133 20 50 CCGDRM Cn1ccc(NNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n1 ZINC001594550254 955719763 /nfs/dbraw/zinc/71/97/63/955719763.db2.gz DQDRQTVWFWFLOL-LLVKDONJSA-N -1 0 252.274 0.364 20 50 CCGDRM Cn1ccc(NNC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001594550446 955722291 /nfs/dbraw/zinc/72/22/91/955722291.db2.gz JPKDHHCDINWRLS-UHFFFAOYSA-N -1 0 250.258 0.284 20 50 CCGDRM Cc1ccc(NNC(=O)NC[C@@H](C(=O)[O-])C(C)C)nn1 ZINC000848591316 955763229 /nfs/dbraw/zinc/76/32/29/955763229.db2.gz BDJOAFVFOINYJH-SECBINFHSA-N -1 0 281.316 0.768 20 50 CCGDRM COC(=O)c1ccccc1NNC(=O)[C@H](OC)C(=O)[O-] ZINC001593888571 955765372 /nfs/dbraw/zinc/76/53/72/955765372.db2.gz GEEAHMYAIGGAEB-VIFPVBQESA-N -1 0 282.252 0.016 20 50 CCGDRM CCNC(=O)N(C)NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000852942353 955856548 /nfs/dbraw/zinc/85/65/48/955856548.db2.gz IGBKBHXTNRIYBH-UHFFFAOYSA-N -1 0 255.274 0.100 20 50 CCGDRM C[C@]1(CNC(=O)NCCC(=O)[O-])C[C@H]1Br ZINC000857101370 955909640 /nfs/dbraw/zinc/90/96/40/955909640.db2.gz UWNLQBPRXJPJIL-HZGVNTEJSA-N -1 0 279.134 0.934 20 50 CCGDRM CO[C@@](C)(C(=O)[O-])C(=O)NN=c1ncc(Cl)c[nH]1 ZINC001593927254 956141839 /nfs/dbraw/zinc/14/18/39/956141839.db2.gz VKIZDMCYNMFZCP-SECBINFHSA-N -1 0 274.664 0.063 20 50 CCGDRM N#Cc1cccc(C(=O)NNC(=O)CCCCC(=O)[O-])c1 ZINC001594626439 956319061 /nfs/dbraw/zinc/31/90/61/956319061.db2.gz ZWMHAKHNWIZPRQ-UHFFFAOYSA-N -1 0 289.291 0.964 20 50 CCGDRM O=C([O-])C1(C(=O)NNC(=O)CC2CC2)CC=CC1 ZINC001594678296 956677826 /nfs/dbraw/zinc/67/78/26/956677826.db2.gz LFWISLRXZWULGS-UHFFFAOYSA-N -1 0 252.270 0.355 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNC(=O)Cc1ccsc1 ZINC001594711888 956891679 /nfs/dbraw/zinc/89/16/79/956891679.db2.gz OICIYPBERVWLBB-DTWKUNHWSA-N -1 0 282.321 0.549 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Cc1ncc[nH]1 ZINC001594712757 956895166 /nfs/dbraw/zinc/89/51/66/956895166.db2.gz DDFKERVFKBVNEI-UHFFFAOYSA-N -1 0 261.241 0.189 20 50 CCGDRM C[C@H](CO)N(C)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603201747 972309989 /nfs/dbraw/zinc/30/99/89/972309989.db2.gz HWUQBIOFQHXLRP-TUUFMJSCSA-N -1 0 268.269 0.335 20 50 CCGDRM Cc1cc(=NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc[nH]1 ZINC001594325161 958159882 /nfs/dbraw/zinc/15/98/82/958159882.db2.gz DGDCZRPQNZPNNU-DTWKUNHWSA-N -1 0 264.285 0.729 20 50 CCGDRM C=C(C)CNC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001588440412 958331571 /nfs/dbraw/zinc/33/15/71/958331571.db2.gz YULWSNOPQYNMBC-UHFFFAOYSA-N -1 0 250.258 0.982 20 50 CCGDRM Cc1ccc(F)c(NNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594364674 958481568 /nfs/dbraw/zinc/48/15/68/958481568.db2.gz VTOIGZNTQIQXIL-JTQLQIEISA-N -1 0 281.243 0.807 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)CCCc1ccccc1 ZINC001588573291 959196923 /nfs/dbraw/zinc/19/69/23/959196923.db2.gz AEOJDVSQCYNQQS-SNVBAGLBSA-N -1 0 278.308 0.877 20 50 CCGDRM O=C([O-])[C@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCC1 ZINC001605751287 972411675 /nfs/dbraw/zinc/41/16/75/972411675.db2.gz ZXHUOAVKIUWGGT-SECBINFHSA-N -1 0 294.311 0.460 20 50 CCGDRM Cc1n[nH]cc1C(=O)NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001594442255 959289017 /nfs/dbraw/zinc/28/90/17/959289017.db2.gz NYLVKDRFQWURKT-UHFFFAOYSA-N -1 0 280.284 0.124 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001588630920 959606952 /nfs/dbraw/zinc/60/69/52/959606952.db2.gz QFKLRRSQAIQYEY-SFYZADRCSA-N -1 0 271.317 0.616 20 50 CCGDRM CN(C)c1cccc(C(=O)NNC(=O)CCC(=O)[O-])c1 ZINC001604090758 972488834 /nfs/dbraw/zinc/48/88/34/972488834.db2.gz IHPVXIYQBZKPSC-UHFFFAOYSA-N -1 0 279.296 0.378 20 50 CCGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)[C@H]1CCCS1 ZINC001588807395 961480765 /nfs/dbraw/zinc/48/07/65/961480765.db2.gz CSRPTIUCYJOYBD-HTQZYQBOSA-N -1 0 274.342 0.386 20 50 CCGDRM CC(C)[C@H](C(=O)[O-])C(=O)NN(C)c1ccccn1 ZINC001588808413 961499178 /nfs/dbraw/zinc/49/91/78/961499178.db2.gz YXXXFCHIIXCVBG-JTQLQIEISA-N -1 0 251.286 0.906 20 50 CCGDRM CN1C(=O)CCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001574022509 961975085 /nfs/dbraw/zinc/97/50/85/961975085.db2.gz NZQUHXVPWTWEBG-SECBINFHSA-N -1 0 292.295 0.234 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)OCC(F)(F)F)C1 ZINC001574578457 962089867 /nfs/dbraw/zinc/08/98/67/962089867.db2.gz HSSBRUDOSKUSBW-NTSWFWBYSA-N -1 0 298.217 0.807 20 50 CCGDRM CC(C)c1ncc[nH]c1=NNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588975838 962695708 /nfs/dbraw/zinc/69/57/08/962695708.db2.gz FCJOPXJFVPEFTC-UHFFFAOYSA-N -1 0 290.283 0.778 20 50 CCGDRM C#CCCCC(=O)NNC(=O)c1cccc(C(=O)[O-])n1 ZINC001588440542 964039591 /nfs/dbraw/zinc/03/95/91/964039591.db2.gz ZDPUAYXTBMSUCU-UHFFFAOYSA-N -1 0 275.264 0.344 20 50 CCGDRM O=C(NNC(=O)[C@@H]1CCCS1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605815710 972544692 /nfs/dbraw/zinc/54/46/92/972544692.db2.gz RXAUDQUMCZDIHI-RNJXMRFFSA-N -1 0 287.341 0.076 20 50 CCGDRM O=C([O-])c1ccnc(NC(=O)NNc2cnccn2)c1 ZINC001605820839 972549206 /nfs/dbraw/zinc/54/92/06/972549206.db2.gz HGQGPUZCUMFKQW-UHFFFAOYSA-N -1 0 274.240 0.718 20 50 CCGDRM O=C(NN=c1[nH]cccc1F)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605820957 972550560 /nfs/dbraw/zinc/55/05/60/972550560.db2.gz NNKMBFYPZTVQEW-KNVOCYPGSA-N -1 0 268.248 0.710 20 50 CCGDRM C[C@@H]1C[C@H](C(=O)NN=c2[nH]cccc2C(=O)[O-])CO1 ZINC001603353880 972783340 /nfs/dbraw/zinc/78/33/40/972783340.db2.gz CGMCGYGTJKXUGC-SFYZADRCSA-N -1 0 265.269 0.648 20 50 CCGDRM CO[C@H](C(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21 ZINC001604434836 973232819 /nfs/dbraw/zinc/23/28/19/973232819.db2.gz NSUPPMFZHLPKFN-QMMMGPOBSA-N -1 0 281.293 0.839 20 50 CCGDRM CC[C@@H](C)C(=O)NNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603511026 973504140 /nfs/dbraw/zinc/50/41/40/973504140.db2.gz NDRCGDZEGRYPHC-SSDOTTSWSA-N -1 0 280.284 0.979 20 50 CCGDRM COCCN(C)NC(=O)Nc1ccccc1C(=O)[O-] ZINC001604584342 973675419 /nfs/dbraw/zinc/67/54/19/973675419.db2.gz OVPPGFJZHVOKSM-UHFFFAOYSA-N -1 0 267.285 1.000 20 50 CCGDRM COCCN(CC(=O)[O-])C(=O)[C@]1(C)C[C@H]1Br ZINC001604584702 973677765 /nfs/dbraw/zinc/67/77/65/973677765.db2.gz ZRKCNFGPGKVAGU-GMSGAONNSA-N -1 0 294.145 0.720 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cnn2ccncc12 ZINC001606529045 974042760 /nfs/dbraw/zinc/04/27/60/974042760.db2.gz WUQUWYBZKFGTMS-UHFFFAOYSA-N -1 0 298.262 0.579 20 50 CCGDRM CCO/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001603834690 974334316 /nfs/dbraw/zinc/33/43/16/974334316.db2.gz LUUCBBRLHQPESI-GQYWMQPJSA-N -1 0 278.268 0.106 20 50 CCGDRM CCc1ccc(NNC(=O)[C@H](OC)C(=O)[O-])cc1 ZINC001603975609 974469345 /nfs/dbraw/zinc/46/93/45/974469345.db2.gz XWPYNKUPDLZMFR-JTQLQIEISA-N -1 0 252.270 0.792 20 50 CCGDRM CC(C)NC(=S)NNC(=O)c1cc(C(=O)[O-])ccn1 ZINC001591660722 975395000 /nfs/dbraw/zinc/39/50/00/975395000.db2.gz HICPCEGZOZOXLT-UHFFFAOYSA-N -1 0 282.325 0.297 20 50 CCGDRM C[C@H](CC(=O)[O-])CC(=O)NNC(=O)CNc1ccccc1 ZINC001592391622 977938834 /nfs/dbraw/zinc/93/88/34/977938834.db2.gz NWGCOBPFEGCYRF-JTQLQIEISA-N -1 0 293.323 0.747 20 50 CCGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)C1CCCC1 ZINC000736373239 978324038 /nfs/dbraw/zinc/32/40/38/978324038.db2.gz BRHMRKBCSHNJCA-SECBINFHSA-N -1 0 271.317 0.616 20 50 CCGDRM CCN(CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000737076371 978377781 /nfs/dbraw/zinc/37/77/81/978377781.db2.gz YRJODWKQLVCCHX-UHFFFAOYSA-N -1 0 293.323 0.163 20 50 CCGDRM CCNC(=O)NNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737123986 978380897 /nfs/dbraw/zinc/38/08/97/978380897.db2.gz QCTRFZHNVSSQGM-UHFFFAOYSA-N -1 0 279.296 0.668 20 50 CCGDRM CCc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737256511 978392739 /nfs/dbraw/zinc/39/27/39/978392739.db2.gz PWXHIMJCRBLFPS-GHMZBOCLSA-N -1 0 276.292 0.731 20 50 CCGDRM CN(C)C(=O)NNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737350093 978399177 /nfs/dbraw/zinc/39/91/77/978399177.db2.gz RXEKRGHRBVDIHA-UHFFFAOYSA-N -1 0 266.257 0.693 20 50 CCGDRM CN(CCCC(=O)NNC(=O)CCc1ccco1)C(=O)[O-] ZINC000737426614 978407130 /nfs/dbraw/zinc/40/71/30/978407130.db2.gz HAJJLRCDSIOAKI-UHFFFAOYSA-N -1 0 297.311 0.750 20 50 CCGDRM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])c(C)o1 ZINC000738332118 978517451 /nfs/dbraw/zinc/51/74/51/978517451.db2.gz GRHQNMJVJQVZGM-UHFFFAOYSA-N -1 0 283.284 0.705 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)Cc1ccccc1F ZINC000738657495 978581993 /nfs/dbraw/zinc/58/19/93/978581993.db2.gz OPGHXQVMDJNBLV-UHFFFAOYSA-N -1 0 283.259 0.173 20 50 CCGDRM Cc1ccccc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000738755722 978599748 /nfs/dbraw/zinc/59/97/48/978599748.db2.gz DLHXMXZGGLIDNX-UHFFFAOYSA-N -1 0 279.296 0.804 20 50 CCGDRM Cn1c(=O)oc2cc(NC(=O)NNC(=O)[O-])ccc21 ZINC000739002529 978612645 /nfs/dbraw/zinc/61/26/45/978612645.db2.gz CEJLQDFGJFGCOZ-UHFFFAOYSA-N -1 0 266.213 0.436 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000739937613 978658921 /nfs/dbraw/zinc/65/89/21/978658921.db2.gz BQGMOTHLCGLOAD-UHFFFAOYSA-N -1 0 297.336 0.656 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccccc1O ZINC000739956309 978660243 /nfs/dbraw/zinc/66/02/43/978660243.db2.gz FRBAQWROZNTZPG-UHFFFAOYSA-N -1 0 281.268 0.201 20 50 CCGDRM O=C([O-])NNC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000740001023 978661874 /nfs/dbraw/zinc/66/18/74/978661874.db2.gz LZDYSSHLJFZUKX-UHFFFAOYSA-N -1 0 281.207 0.106 20 50 CCGDRM C[C@@H](Oc1ccc(C=NNC(=O)C(C)(C)O)cc1)C(=O)[O-] ZINC000794933540 978830700 /nfs/dbraw/zinc/83/07/00/978830700.db2.gz XSGSHXOFNZMCKK-SECBINFHSA-N -1 0 294.307 0.760 20 50 CCGDRM Cc1cc(C)n(CC(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)n1 ZINC000814753405 978880651 /nfs/dbraw/zinc/88/06/51/978880651.db2.gz VWRCSKOUDKAOBX-UHFFFAOYSA-N -1 0 289.295 0.677 20 50 CCGDRM C[C@@H]1C(=NNC(=O)N2CCOCC2)CC[C@H]1CC(=O)[O-] ZINC000814821488 978889084 /nfs/dbraw/zinc/88/90/84/978889084.db2.gz YALVFRNSIOYKCF-UWVGGRQHSA-N -1 0 283.328 0.905 20 50 CCGDRM CC(C)(O)C(=O)NN=Cc1cccc(C(=O)[O-])c1 ZINC000814909734 978897977 /nfs/dbraw/zinc/89/79/77/978897977.db2.gz 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955450427 /nfs/dbraw/zinc/45/04/27/955450427.db2.gz OXSJOLAABXGSRF-UHFFFAOYSA-N -1 0 286.269 0.251 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000819901750 955460660 /nfs/dbraw/zinc/46/06/60/955460660.db2.gz QLEAPIYKWPXAGS-VIFPVBQESA-N -1 0 285.344 0.119 20 50 CCGDRM COC(=O)c1cccc(NNC(=O)NCCC(=O)[O-])c1 ZINC000820689543 955477052 /nfs/dbraw/zinc/47/70/52/955477052.db2.gz SLLLGESDLSBEAC-UHFFFAOYSA-N -1 0 281.268 0.574 20 50 CCGDRM Cn1cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC001594539771 955625795 /nfs/dbraw/zinc/62/57/95/955625795.db2.gz YLXNWJGTTAWFFZ-RVYAVYRISA-N -1 0 288.307 0.697 20 50 CCGDRM Cn1cccc1C(=O)NN=Cc1cc(C(=O)[O-])nn1C ZINC001594551688 955733423 /nfs/dbraw/zinc/73/34/23/955733423.db2.gz RURPMTDUMFXAMW-UHFFFAOYSA-N -1 0 275.268 0.221 20 50 CCGDRM C[C@@H](CNC(=O)NNC(=O)CCc1ccccc1)C(=O)[O-] ZINC000848587482 955759204 /nfs/dbraw/zinc/75/92/04/955759204.db2.gz WDDKJPFZQDGYIA-JTQLQIEISA-N -1 0 293.323 0.670 20 50 CCGDRM 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CC(C)CC(=O)NNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001588843257 961840409 /nfs/dbraw/zinc/84/04/09/961840409.db2.gz HFNZPMXOBUSVLF-ZKCHVHJHSA-N -1 0 257.290 0.226 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2)O1 ZINC000276158981 962843123 /nfs/dbraw/zinc/84/31/23/962843123.db2.gz PUWNSTXUKABIOW-ZJUUUORDSA-N -1 0 278.264 0.080 20 50 CCGDRM C#CCCCC(=O)NNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001588439931 964032984 /nfs/dbraw/zinc/03/29/84/964032984.db2.gz IOADEHFNLZBCFF-UHFFFAOYSA-N -1 0 263.253 0.277 20 50 CCGDRM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@]1(C)C[C@H]1Br ZINC001118754673 969667465 /nfs/dbraw/zinc/66/74/65/969667465.db2.gz OQRXBUKTRZZBOI-DRTBCBBWSA-N -1 0 294.145 0.766 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)Cc1ccsc1 ZINC001605022987 972631454 /nfs/dbraw/zinc/63/14/54/972631454.db2.gz HBDQDCVUMXSMOK-KRTXAFLBSA-N -1 0 282.321 0.549 20 50 CCGDRM CN(NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1 ZINC001604195966 972634781 /nfs/dbraw/zinc/63/47/81/972634781.db2.gz 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O=C([O-])[C@H](NNC(=O)C1CC1)c1ccc(F)cc1 ZINC000739453289 978637279 /nfs/dbraw/zinc/63/72/79/978637279.db2.gz FGCJTQUZNVKFSK-SNVBAGLBSA-N -1 0 252.245 0.982 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1ccccc1[N+](=O)[O-] ZINC000739550896 978645372 /nfs/dbraw/zinc/64/53/72/978645372.db2.gz YQRRZRVKMIMKPS-BQBZGAKWSA-N -1 0 265.225 0.759 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=S)NCC1CCC1 ZINC000739550154 978645412 /nfs/dbraw/zinc/64/54/12/978645412.db2.gz WMBOMOLWWDQXHP-YUMQZZPRSA-N -1 0 271.342 0.003 20 50 CCGDRM CC(=NNC(=O)C(N)=O)[C@@H](C)CCCCC(=O)[O-] ZINC000814695655 978873381 /nfs/dbraw/zinc/87/33/81/978873381.db2.gz LNOCQWWASLQMNH-ZETCQYMHSA-N -1 0 257.290 0.245 20 50 CCGDRM C[C@@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@H]1CC(=O)[O-] ZINC000814912977 978898751 /nfs/dbraw/zinc/89/87/51/978898751.db2.gz DZLAVCHVYYOPAK-QWRGUYRKSA-N -1 0 296.371 0.820 20 50 CCGDRM Cc1[nH]c(C=NNC(=O)[C@@H]2CCO[C@H]2C)cc1C(=O)[O-] ZINC000842559757 979318904 /nfs/dbraw/zinc/31/89/04/979318904.db2.gz 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ZINC001588630751 959604097 /nfs/dbraw/zinc/60/40/97/959604097.db2.gz AGRXOUHUECQIQW-RKDXNWHRSA-N -1 0 286.328 0.450 20 50 CCGDRM Cc1nnc(NNC(=O)C2(C(=O)[O-])CCCCC2)n1C ZINC001594492432 959717139 /nfs/dbraw/zinc/71/71/39/959717139.db2.gz DJMBMHBBGKTTTB-UHFFFAOYSA-N -1 0 281.316 0.602 20 50 CCGDRM COc1ccc(/C=C(/C#N)C(=O)[O-])cc1OCC(N)=O ZINC001324990691 961047954 /nfs/dbraw/zinc/04/79/54/961047954.db2.gz LMJCGGLEGWMYQZ-WTKPLQERSA-N -1 0 276.248 0.551 20 50 CCGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC001588843274 961841658 /nfs/dbraw/zinc/84/16/58/961841658.db2.gz IMOBYGQBSDFTNQ-SFYZADRCSA-N -1 0 276.358 0.775 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)Cc2ccsc2)C1 ZINC001574538225 961930828 /nfs/dbraw/zinc/93/08/28/961930828.db2.gz RUJMXIYWNORYMZ-VHSXEESVSA-N -1 0 296.348 0.939 20 50 CCGDRM O=C([O-])C=Cc1cc(C(=O)NN=c2nccc[nH]2)co1 ZINC001574667297 962523947 /nfs/dbraw/zinc/52/39/47/962523947.db2.gz NAZKEVRRAKAEDW-NSCUHMNNSA-N -1 0 274.236 0.924 20 50 CCGDRM O=C([O-])CCC(=O)NNc1cc(=O)[nH]c2ncccc12 ZINC001574682448 962592985 /nfs/dbraw/zinc/59/29/85/962592985.db2.gz RMMIYBDFXGOAIG-UHFFFAOYSA-N -1 0 276.252 0.643 20 50 CCGDRM C#CC[C@H](NC(=O)c1c(C)nn(CCCl)c1C)C(=O)[O-] ZINC001573303028 962667758 /nfs/dbraw/zinc/66/77/58/962667758.db2.gz UADBTRJQGFNIDF-JTQLQIEISA-N -1 0 297.742 0.945 20 50 CCGDRM C#CCCCC(=O)NNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001588440445 964038448 /nfs/dbraw/zinc/03/84/48/964038448.db2.gz UQTCUUBDPMEMSB-WDEREUQCSA-N -1 0 296.323 0.350 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)C2(C(=O)[O-])CCOCC2)n1 ZINC000844152804 969240978 /nfs/dbraw/zinc/24/09/78/969240978.db2.gz YSGOIZCEHNSYAU-UHFFFAOYSA-N -1 0 294.311 0.418 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)C1CCC(=O)CC1 ZINC001606560591 970352556 /nfs/dbraw/zinc/35/25/56/970352556.db2.gz YPXFYJHCHUFQNN-UHFFFAOYSA-N -1 0 277.280 0.982 20 50 CCGDRM CCOc1ccc(NNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001610372753 970732789 /nfs/dbraw/zinc/73/27/89/970732789.db2.gz AVJPTKWMCXBJLW-NSHDSACASA-N -1 0 293.279 0.758 20 50 CCGDRM O=C([O-])C1(CNS(=O)(=O)CCCCl)CCOCC1 ZINC001605958386 972926461 /nfs/dbraw/zinc/92/64/61/972926461.db2.gz VWTHUSWBPGBLRJ-UHFFFAOYSA-N -1 0 299.776 0.416 20 50 CCGDRM CCC(CC)(CNC(=O)NNc1nnc(C)n1C)C(=O)[O-] ZINC001603536823 973591344 /nfs/dbraw/zinc/59/13/44/973591344.db2.gz CEJHLOVWVMAVIU-UHFFFAOYSA-N -1 0 298.347 0.641 20 50 CCGDRM O=C([O-])Cn1cc(C(=O)NN=c2cc(Cl)cc[nH]2)nn1 ZINC001606331841 973765079 /nfs/dbraw/zinc/76/50/79/973765079.db2.gz ZIJHRAQWHMRJPY-UHFFFAOYSA-N -1 0 296.674 0.168 20 50 CCGDRM O=C(CC1CC1)NNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001605669695 974076121 /nfs/dbraw/zinc/07/61/21/974076121.db2.gz OCFLEDMZVHQGKD-UHFFFAOYSA-N -1 0 268.313 0.969 20 50 CCGDRM O=C([O-])C1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCCC1 ZINC001605709823 974141329 /nfs/dbraw/zinc/14/13/29/974141329.db2.gz ZXFGOZZALOLQEH-UHFFFAOYSA-N -1 0 294.311 0.135 20 50 CCGDRM CCOC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603803436 974272202 /nfs/dbraw/zinc/27/22/02/974272202.db2.gz DOEIKESEWYJJQP-SFYZADRCSA-N -1 0 274.273 0.034 20 50 CCGDRM CCOC(=O)[C@@H]1C[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603805666 974276071 /nfs/dbraw/zinc/27/60/71/974276071.db2.gz AAOFQURHBCAORZ-RKDXNWHRSA-N -1 0 293.279 0.422 20 50 CCGDRM CC(C)c1nccnc1NNC(=O)C1(C(=O)[O-])CC1 ZINC001592039030 976760929 /nfs/dbraw/zinc/76/09/29/976760929.db2.gz GPWRBZNMDZUKDD-UHFFFAOYSA-N -1 0 264.285 0.908 20 50 CCGDRM C[C@H](CBr)CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001592213626 977274175 /nfs/dbraw/zinc/27/41/75/977274175.db2.gz YZBYQLRRCCDRSK-SFYZADRCSA-N -1 0 293.161 0.293 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=S)NC(C)(C)C ZINC000736374029 978324757 /nfs/dbraw/zinc/32/47/57/978324757.db2.gz IKQMJUSMNOSHTE-ZETCQYMHSA-N -1 0 290.389 0.572 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CCc1ccco1 ZINC000736376243 978326353 /nfs/dbraw/zinc/32/63/53/978326353.db2.gz SKWWGVBTXHWCBF-NSHDSACASA-N -1 0 297.311 0.652 20 50 CCGDRM COC(=O)NNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737641857 978426043 /nfs/dbraw/zinc/42/60/43/978426043.db2.gz HJCVJUHOXKZVGT-UHFFFAOYSA-N -1 0 282.256 0.847 20 50 CCGDRM Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(C)o1 ZINC000738332710 978518448 /nfs/dbraw/zinc/51/84/48/978518448.db2.gz NXPUMCYISNKRJN-BDAKNGLRSA-N -1 0 266.253 0.378 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)CCNC(=O)[O-])n1 ZINC000738379065 978529912 /nfs/dbraw/zinc/52/99/12/978529912.db2.gz KNENJXGUZGLUFH-UHFFFAOYSA-N -1 0 253.262 0.194 20 50 CCGDRM Cc1ccccc1NC(=O)NNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738779245 978601934 /nfs/dbraw/zinc/60/19/34/978601934.db2.gz XLNRNGDVCFFSJV-DTWKUNHWSA-N -1 0 277.280 0.868 20 50 CCGDRM Cc1n[nH]cc1C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738827007 978603517 /nfs/dbraw/zinc/60/35/17/978603517.db2.gz DJCGVDHJCLTOIB-VIFPVBQESA-N -1 0 297.315 0.161 20 50 CCGDRM Cn1c2ccccc2sc1=NNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738996889 978612010 /nfs/dbraw/zinc/61/20/10/978612010.db2.gz DAOJDMPVGGTZKC-YUMQZZPRSA-N -1 0 291.332 0.892 20 50 CCGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)CC1CCCC1 ZINC000739217859 978621464 /nfs/dbraw/zinc/62/14/64/978621464.db2.gz AYAOYBFJEUYNDA-RKDXNWHRSA-N -1 0 254.286 0.435 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)CCc1ccccc1 ZINC000739937927 978659026 /nfs/dbraw/zinc/65/90/26/978659026.db2.gz IODBCEPWYXVPTA-UHFFFAOYSA-N -1 0 279.296 0.424 20 50 CCGDRM O=C([O-])c1ccc(C=NNC(=O)N2CCOCC2)[nH]1 ZINC000749814559 978690066 /nfs/dbraw/zinc/69/00/66/978690066.db2.gz FEEOOFRYEUWYSP-UHFFFAOYSA-N -1 0 266.257 0.089 20 50 CCGDRM C[C@H]1C(=NNC(=O)CN2CCCC2=O)CC[C@@H]1CC(=O)[O-] ZINC000814760837 978882062 /nfs/dbraw/zinc/88/20/62/978882062.db2.gz IODWQCOJZHCWGW-NXEZZACHSA-N -1 0 295.339 0.602 20 50 CCGDRM Cc1cc(C(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)[nH]n1 ZINC000814876330 978895395 /nfs/dbraw/zinc/89/53/95/978895395.db2.gz SDSWPMYDRQQRRR-UHFFFAOYSA-N -1 0 261.241 0.508 20 50 CCGDRM C[C@H]1C(=NNC(=O)C(C)(C)O)CC[C@H]1CC(=O)[O-] ZINC000814909646 978897885 /nfs/dbraw/zinc/89/78/85/978897885.db2.gz MAFCQBLOBMSVMP-SFYZADRCSA-N -1 0 256.302 0.750 20 50 CCGDRM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CBr)C1 ZINC000819091278 978923964 /nfs/dbraw/zinc/92/39/64/978923964.db2.gz CXDYIJLOSOBUKC-URHBZAFASA-N -1 0 272.120 0.121 20 50 CCGDRM C[C@@]1(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)CCCO1 ZINC000834994316 979243089 /nfs/dbraw/zinc/24/30/89/979243089.db2.gz NYLYEWDMZRIFJH-LBPRGKRZSA-N -1 0 265.269 0.732 20 50 CCGDRM C[C@H]1C(=NNC(=O)CS(C)(=O)=O)CC[C@H]1CC(=O)[O-] ZINC000863186152 979659663 /nfs/dbraw/zinc/65/96/63/979659663.db2.gz PVALCZUIFRKXGD-SFYZADRCSA-N -1 0 290.341 0.024 20 50 CCGDRM C=C(CO)C(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001588637733 983761180 /nfs/dbraw/zinc/76/11/80/983761180.db2.gz UQDFDUUWFOTGPK-UHFFFAOYSA-N -1 0 254.217 0.516 20 50 CCGDRM C=CC(=O)N(C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001588654457 983777322 /nfs/dbraw/zinc/77/73/22/983777322.db2.gz HBUUKQWOSMZQSC-UHFFFAOYSA-N -1 0 295.270 0.611 20 50 CCGDRM CCNC(=O)N(C)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596462886 984177340 /nfs/dbraw/zinc/17/73/40/984177340.db2.gz JKSJBTPCVVBJIM-UHFFFAOYSA-N -1 0 279.296 0.620 20 50 CCGDRM CCOC(=O)NCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001596659404 984712487 /nfs/dbraw/zinc/71/24/87/984712487.db2.gz SAGIJZZSYVAPAX-UHFFFAOYSA-N -1 0 281.268 0.574 20 50 CCGDRM CC(=NNC(=O)C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC001589011186 984988154 /nfs/dbraw/zinc/98/81/54/984988154.db2.gz SHBZZLIJFKHVGI-UHFFFAOYSA-N -1 0 273.252 0.192 20 50 CCGDRM CC(=O)N(C)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001589042185 985109931 /nfs/dbraw/zinc/10/99/31/985109931.db2.gz LCFOJACNGPCUGW-UHFFFAOYSA-N -1 0 283.259 0.445 20 50 CCGDRM CC(=O)NNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001589149885 985467922 /nfs/dbraw/zinc/46/79/22/985467922.db2.gz HKGBFRWCBNRCOM-UHFFFAOYSA-N -1 0 251.242 0.486 20 50 CCGDRM CC(=O)NN=C1C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001589150180 985469556 /nfs/dbraw/zinc/46/95/56/985469556.db2.gz LHHGZUPLBOMDNI-VIFPVBQESA-N -1 0 299.327 0.820 20 50 CCGDRM CCO/C=C(\C#N)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC001596859585 985618393 /nfs/dbraw/zinc/61/83/93/985618393.db2.gz FEPGQTSZUCALJD-ABZNLYFFSA-N -1 0 252.270 0.800 20 50 CCGDRM CCO/C=C(\C#N)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001596863556 985654161 /nfs/dbraw/zinc/65/41/61/985654161.db2.gz NNGPKYLNDHUCIT-VOTSOKGWSA-N -1 0 281.293 0.901 20 50 CCGDRM C[C@@H]1OC(=O)N[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001594631554 986733487 /nfs/dbraw/zinc/73/34/87/986733487.db2.gz HQKVLEJFZKYDMP-RCOVLWMOSA-N -1 0 279.252 0.325 20 50 CCGDRM C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(C(=O)[O-])c1 ZINC001594643655 986823693 /nfs/dbraw/zinc/82/36/93/986823693.db2.gz HWUUKKJANXGTQB-KWQFWETISA-N -1 0 292.291 0.571 20 50 CCGDRM CCc1[nH]c(C(=O)NN(C)C(=O)OC)c(C)c1C(=O)[O-] ZINC001597369483 987554226 /nfs/dbraw/zinc/55/42/26/987554226.db2.gz WMNVSCZRRAADAP-UHFFFAOYSA-N -1 0 283.284 0.927 20 50 CCGDRM CC(C)(C)OC(=O)CCCC=NNC(=O)NCC(=O)[O-] ZINC001589873031 988514462 /nfs/dbraw/zinc/51/44/62/988514462.db2.gz HGDVTXPCICVUCI-UHFFFAOYSA-N -1 0 287.316 0.868 20 50 CCGDRM CN(C)C(=O)N[N-]C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001598139909 990600294 /nfs/dbraw/zinc/60/02/94/990600294.db2.gz HAZDLTARGFNXHN-XQRVVYSFSA-N -1 0 267.241 0.293 20 50 CCGDRM CC(C)(O)C(=O)NNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001590882438 990802610 /nfs/dbraw/zinc/80/26/10/990802610.db2.gz DVCQSIMAHXBVLL-UHFFFAOYSA-N -1 0 298.339 0.330 20 50 CCGDRM CN(C)c1cc(F)c(C=NNC(=O)C(=O)[O-])cc1F ZINC001598305660 991261670 /nfs/dbraw/zinc/26/16/70/991261670.db2.gz KVESTUBJTHHDQV-UHFFFAOYSA-N -1 0 271.223 0.566 20 50 CCGDRM C[C@@](NS(=O)(=O)CBr)(C(=O)[O-])C1CC1 ZINC001593320509 994856281 /nfs/dbraw/zinc/85/62/81/994856281.db2.gz XCVZGFUJZVMTRU-ZETCQYMHSA-N -1 0 286.147 0.512 20 50 CCGDRM COc1cccc(NNC(=O)CCSCC(=O)[O-])n1 ZINC001599680074 994964401 /nfs/dbraw/zinc/96/44/01/994964401.db2.gz WYHUUCBIOXGTSF-UHFFFAOYSA-N -1 0 285.325 0.741 20 50 CCGDRM C[C@@H](O)CN(C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001593456279 995355862 /nfs/dbraw/zinc/35/58/62/995355862.db2.gz AYNPHJBRZKQHBA-YZCDNWJKSA-N -1 0 268.269 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JZMQNYNLMIAHFC-ZCFIWIBFSA-N -1 0 281.224 0.077 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNc1ccc(F)c([N+](=O)[O-])c1 ZINC001602805967 971587313 /nfs/dbraw/zinc/58/73/13/971587313.db2.gz BGLXDUCGURABRC-RXMQYKEDSA-N -1 0 271.204 0.898 20 50 CCGDRM CCNC(=O)N(C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589909111 950720971 /nfs/dbraw/zinc/72/09/71/950720971.db2.gz UTEMEKDPVLDOSK-JGVFFNPUSA-N -1 0 257.290 0.180 20 50 CCGDRM CCOC(=O)C(C#N)=CN[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001590037086 950749636 /nfs/dbraw/zinc/74/96/36/950749636.db2.gz FDUPYOLJEJUILB-MMRAYRKESA-N -1 0 289.291 0.637 20 50 CCGDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNC(=O)C2CCCC2)CO1 ZINC001595003579 951168590 /nfs/dbraw/zinc/16/85/90/951168590.db2.gz FKZWOZCFFSIPBH-GHMZBOCLSA-N -1 0 298.339 0.594 20 50 CCGDRM O=C([O-])CCCCC(=O)NNC(=O)c1ccoc1 ZINC001595032726 951381032 /nfs/dbraw/zinc/38/10/32/951381032.db2.gz ODXOYYFQJGOQCC-UHFFFAOYSA-N -1 0 254.242 0.686 20 50 CCGDRM CC(C)(C)NC(=S)NNC(=O)C1(C(=O)[O-])CCC1 ZINC001602871729 971742255 /nfs/dbraw/zinc/74/22/55/971742255.db2.gz RDRRMBAXVAJFNX-UHFFFAOYSA-N -1 0 273.358 0.535 20 50 CCGDRM O=C([O-])C1(C(=O)NNC(=O)NC2CC2)CCCCC1 ZINC001594778797 953609680 /nfs/dbraw/zinc/60/96/80/953609680.db2.gz AMYQASYTVVCPTK-UHFFFAOYSA-N -1 0 269.301 0.514 20 50 CCGDRM CCc1ccc(NNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1 ZINC001593638755 953630749 /nfs/dbraw/zinc/63/07/49/953630749.db2.gz GWRIFKOBGHRFIP-NSHDSACASA-N -1 0 277.280 0.922 20 50 CCGDRM O=C(NNc1cncc(Cl)n1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594781564 953634254 /nfs/dbraw/zinc/63/42/54/953634254.db2.gz DTOVBTFOPZXNMQ-OLQVQODUSA-N -1 0 285.691 0.619 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNC(=O)[C@@H]1CCCS1 ZINC001594782575 953645888 /nfs/dbraw/zinc/64/58/88/953645888.db2.gz BVJUZTYFYGYBDD-RNJXMRFFSA-N -1 0 272.326 0.140 20 50 CCGDRM CN(C)C(=O)NNC(=O)Cc1ccccc1C(=O)[O-] ZINC001593686539 953990992 /nfs/dbraw/zinc/99/09/92/953990992.db2.gz KFGNVOQATNYJPA-UHFFFAOYSA-N -1 0 265.269 0.230 20 50 CCGDRM O=C([O-])[C@H](C(=O)NNc1ccncc1Cl)C1CC1 ZINC001594835011 954020578 /nfs/dbraw/zinc/02/05/78/954020578.db2.gz AHXJLRGWNJJUHJ-VIFPVBQESA-N -1 0 269.688 0.711 20 50 CCGDRM CN(C)c1nccc(=NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]1 ZINC001593715146 954207889 /nfs/dbraw/zinc/20/78/89/954207889.db2.gz GRVZGTLCHJLLCN-JGVFFNPUSA-N -1 0 279.300 0.097 20 50 CCGDRM CNC(=O)CCCC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593790668 954755380 /nfs/dbraw/zinc/75/53/80/954755380.db2.gz GKAIXQGKGJIIRJ-UHFFFAOYSA-N -1 0 280.284 0.139 20 50 CCGDRM O=C([O-])C=Cc1cc(C(=O)NNC(=O)NCC2CC2)co1 ZINC001594969440 955091839 /nfs/dbraw/zinc/09/18/39/955091839.db2.gz YOSRHQXLBZPDBW-ONEGZZNKSA-N -1 0 293.279 0.731 20 50 CCGDRM CC[C@@H](CNC(=O)NNc1ccc(Cl)nn1)C(=O)[O-] ZINC001589538422 955180805 /nfs/dbraw/zinc/18/08/05/955180805.db2.gz JETMRKWRRVEGKE-LURJTMIESA-N -1 0 287.707 0.867 20 50 CCGDRM CC[C@@H](CNC(=O)NN=c1nc(OC)cc[nH]1)C(=O)[O-] ZINC001589538415 955180995 /nfs/dbraw/zinc/18/09/95/955180995.db2.gz ISERRYGXHXPKEH-ZETCQYMHSA-N -1 0 283.288 0.222 20 50 CCGDRM O=C([O-])CNS(=O)(=O)c1ccc(CCCl)cc1 ZINC000738614827 955249907 /nfs/dbraw/zinc/24/99/07/955249907.db2.gz FZCGFOYBCHEKOC-UHFFFAOYSA-N -1 0 277.729 0.831 20 50 CCGDRM CC[C@H](C(=O)NNC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000818132512 955385470 /nfs/dbraw/zinc/38/54/70/955385470.db2.gz ZQTKTTKZUOBQKU-NSHDSACASA-N -1 0 293.323 0.985 20 50 CCGDRM COc1cc(C)[nH]c(=NNC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC000820763800 955479743 /nfs/dbraw/zinc/47/97/43/955479743.db2.gz CAIFAOVXCBPGOB-GFCCVEGCSA-N -1 0 293.283 0.241 20 50 CCGDRM O=C([O-])c1cccc(C(=O)NNC(=O)NCC2CC2)c1 ZINC000821421223 955502574 /nfs/dbraw/zinc/50/25/74/955502574.db2.gz KFKCVMSZRVYWTR-UHFFFAOYSA-N -1 0 277.280 0.739 20 50 CCGDRM Cn1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(=O)[O-])cn1 ZINC001594538793 955608990 /nfs/dbraw/zinc/60/89/90/955608990.db2.gz RKCUVHSBMULBDB-ONNFQVAWSA-N -1 0 276.296 0.697 20 50 CCGDRM CC(C)[C@H](CNC(=O)NNc1cccnn1)C(=O)[O-] ZINC000848589600 955761891 /nfs/dbraw/zinc/76/18/91/955761891.db2.gz GDCQBAUTEZOCGY-QMMMGPOBSA-N -1 0 267.289 0.460 20 50 CCGDRM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ncc(F)cc1F ZINC001594569357 955864025 /nfs/dbraw/zinc/86/40/25/955864025.db2.gz WTQVVKBUPIVTQX-UHFFFAOYSA-N -1 0 297.221 0.548 20 50 CCGDRM CO[C@](C)(C(=O)[O-])C(=O)NN=c1nc[nH]c2ccsc21 ZINC000852948655 955867997 /nfs/dbraw/zinc/86/79/97/955867997.db2.gz HALKPXILQXTROR-NSHDSACASA-N -1 0 296.308 0.624 20 50 CCGDRM C[C@H](Cc1c[nH]cn1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589083631 955883174 /nfs/dbraw/zinc/88/31/74/955883174.db2.gz ONEMPUMOYDRQRP-MRVPVSSYSA-N -1 0 289.295 0.825 20 50 CCGDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NNC(=O)Cc1ccsc1 ZINC001589219247 956754272 /nfs/dbraw/zinc/75/42/72/956754272.db2.gz KKDAAQIJPLLMAS-ZDUSSCGKSA-N -1 0 296.348 0.939 20 50 CCGDRM C#CCCCC(=O)NN=C(C)c1cn(CC(=O)[O-])nn1 ZINC001588391247 958020609 /nfs/dbraw/zinc/02/06/09/958020609.db2.gz DJVOLSWYORTUET-UHFFFAOYSA-N -1 0 277.284 0.006 20 50 CCGDRM Cc1ccnn1CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594424964 959104572 /nfs/dbraw/zinc/10/45/72/959104572.db2.gz XDMBYKYGHJZVLA-UHFFFAOYSA-N -1 0 275.268 0.428 20 50 CCGDRM C[C@H](C(=O)[O-])C(=O)NNC(=O)c1cccc2cccnc21 ZINC001588573397 959198714 /nfs/dbraw/zinc/19/87/14/959198714.db2.gz DVZPPRZPDXSQAJ-QMMMGPOBSA-N -1 0 287.275 0.717 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNc1ccc([N+](=O)[O-])cc1 ZINC001588576410 959234931 /nfs/dbraw/zinc/23/49/31/959234931.db2.gz QFBHZTYUVFBXIA-ZCFIWIBFSA-N -1 0 253.214 0.759 20 50 CCGDRM C[C@@H](NNC(=O)C1(C(=O)[O-])CCC1)C(F)(F)F ZINC001603250866 972423267 /nfs/dbraw/zinc/42/32/67/972423267.db2.gz OUCWGTVWTQNLOR-RXMQYKEDSA-N -1 0 254.208 0.813 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)NC1CCCCC1 ZINC001594228080 959449653 /nfs/dbraw/zinc/44/96/53/959449653.db2.gz GLFDHCAWQHCOJM-OQPBUACISA-N -1 0 283.328 0.760 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1ncc(F)cc1F ZINC001574281869 960647487 /nfs/dbraw/zinc/64/74/87/960647487.db2.gz DEPLFOKBFYTHAP-GCXOYZPQSA-N -1 0 271.223 0.914 20 50 CCGDRM CC[C@H](O)[C@H](C)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573813236 960913741 /nfs/dbraw/zinc/91/37/41/960913741.db2.gz KROAFYWVCKXURH-CBAPKCEASA-N -1 0 267.285 0.630 20 50 CCGDRM CC(=NNC(N)=O)c1ccccc1OCC(=O)[O-] ZINC000254511154 961320962 /nfs/dbraw/zinc/32/09/62/961320962.db2.gz UMIILYKJDBYWOV-UHFFFAOYSA-N -1 0 251.242 0.542 20 50 CCGDRM CCOC=CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001573911341 961482860 /nfs/dbraw/zinc/48/28/60/961482860.db2.gz MMUQGIFHFWQJHU-ALCCZGGFSA-N -1 0 251.242 0.773 20 50 CCGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=S)Nc1ccccn1 ZINC001588807924 961486329 /nfs/dbraw/zinc/48/63/29/961486329.db2.gz FELGYIZCQOBHII-VIFPVBQESA-N -1 0 296.352 0.756 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)Nc1ccncc1 ZINC001574579024 962095208 /nfs/dbraw/zinc/09/52/08/962095208.db2.gz SJZZRUFWMOTRGQ-UHFFFAOYSA-N -1 0 273.252 0.745 20 50 CCGDRM C[C@H](CC(=O)[O-])NC(=O)/C(C#N)=C\c1cnn(C)c1 ZINC001588993553 962816629 /nfs/dbraw/zinc/81/66/29/962816629.db2.gz QOEBRVNNMQUTAL-YXSUAUNDSA-N -1 0 262.269 0.306 20 50 CCGDRM CSSCCNC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000397914093 968261462 /nfs/dbraw/zinc/26/14/62/968261462.db2.gz HMILBTYCMYVRGQ-ZETCQYMHSA-N -1 0 280.371 0.493 20 50 CCGDRM O=C([O-])c1cc(C(=O)NN=c2cc(Cl)cc[nH]2)[nH]n1 ZINC001605815291 972542409 /nfs/dbraw/zinc/54/24/09/972542409.db2.gz BTVNGZDUOXYVMK-UHFFFAOYSA-N -1 0 281.659 0.913 20 50 CCGDRM O=C(NN=c1cccc[nH]1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605821210 972553360 /nfs/dbraw/zinc/55/33/60/972553360.db2.gz XFZKBTSACWLHPU-ZKCHVHJHSA-N -1 0 250.258 0.571 20 50 CCGDRM CN(NC(=O)[C@@]1(C(=O)[O-])CCCO1)c1ccccn1 ZINC001604195726 972633720 /nfs/dbraw/zinc/63/37/20/972633720.db2.gz URDMCVMCFIRKIM-GFCCVEGCSA-N -1 0 265.269 0.183 20 50 CCGDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NNC(=O)OCC(F)(F)F ZINC001603321526 972642680 /nfs/dbraw/zinc/64/26/80/972642680.db2.gz SILWXZNBBHBLCX-SECBINFHSA-N -1 0 298.217 0.807 20 50 CCGDRM O=C([O-])C1(C(=O)NNc2nc3ccccn3n2)CCC1 ZINC001605935888 972878472 /nfs/dbraw/zinc/87/84/72/972878472.db2.gz VIGHSRWBHABESB-UHFFFAOYSA-N -1 0 275.268 0.427 20 50 CCGDRM O=C([O-])[C@@]1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCCO1 ZINC001605935954 972878567 /nfs/dbraw/zinc/87/85/67/972878567.db2.gz VQGCKWBLLYWZGS-LBPRGKRZSA-N -1 0 295.251 0.672 20 50 CCGDRM CO[C@H](C(=O)[O-])C(=O)NNc1ccc(SC)cc1 ZINC001604435116 973233632 /nfs/dbraw/zinc/23/36/32/973233632.db2.gz SLRVFUUMSAHENQ-VIFPVBQESA-N -1 0 270.310 0.951 20 50 CCGDRM CO[C@@H](C(=O)[O-])C(=O)NNc1cccc(Cl)c1 ZINC001604435131 973234892 /nfs/dbraw/zinc/23/48/92/973234892.db2.gz SZBLYRWUCAIFMS-MRVPVSSYSA-N -1 0 258.661 0.883 20 50 CCGDRM Cc1ccnc(C(=O)NN=c2[nH]cccc2C(=O)[O-])n1 ZINC001605359652 973280384 /nfs/dbraw/zinc/28/03/84/973280384.db2.gz KKHZRFTVUJKDMT-UHFFFAOYSA-N -1 0 273.252 0.635 20 50 CCGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2ccncn2)CO1 ZINC001606111685 973322721 /nfs/dbraw/zinc/32/27/21/973322721.db2.gz MMDVWFBVUABEFU-DTWKUNHWSA-N -1 0 280.284 0.190 20 50 CCGDRM O=C([O-])CSCC(=O)NN=c1cnc2ccccc2[nH]1 ZINC001606302068 973712463 /nfs/dbraw/zinc/71/24/63/973712463.db2.gz HIDVFXOXRYEMNA-UHFFFAOYSA-N -1 0 292.320 0.891 20 50 CCGDRM CO[C@@H]1C[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001604668963 973853420 /nfs/dbraw/zinc/85/34/20/973853420.db2.gz BKUSDAGJPKUDOC-HTQZYQBOSA-N -1 0 251.242 0.258 20 50 CCGDRM CC(C)[C@H](NC(=O)COC(=O)/C(C#N)=C\C1CC1)C(=O)[O-] ZINC001591871937 976213794 /nfs/dbraw/zinc/21/37/94/976213794.db2.gz JKHXAZMGNXFOIB-JSJZCHLLSA-N -1 0 294.307 0.615 20 50 CCGDRM CC(C)(NC(=O)[O-])C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736336621 978321061 /nfs/dbraw/zinc/32/10/61/978321061.db2.gz KDFPZTCQOAGXAA-UHFFFAOYSA-N -1 0 290.279 0.365 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NN=c1nccc[nH]1 ZINC000736373327 978323958 /nfs/dbraw/zinc/32/39/58/978323958.db2.gz CHMCPZRCSYGTME-ZETCQYMHSA-N -1 0 253.262 0.212 20 50 CCGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)NC1CCCC1 ZINC000736373528 978324028 /nfs/dbraw/zinc/32/40/28/978324028.db2.gz DRILIFHRNWLSCW-SECBINFHSA-N -1 0 286.332 0.552 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)Cc1cccnc1 ZINC000736375016 978325496 /nfs/dbraw/zinc/32/54/96/978325496.db2.gz MVIUKUTTWAOBDT-NSHDSACASA-N -1 0 294.311 0.064 20 50 CCGDRM CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738176438 978496793 /nfs/dbraw/zinc/49/67/93/978496793.db2.gz NFMZTVRVZNVACS-JGVFFNPUSA-N -1 0 298.320 0.254 20 50 CCGDRM C[S@@](=O)c1cccc(NC(=O)NNC(=O)[O-])c1 ZINC000738180170 978497543 /nfs/dbraw/zinc/49/75/43/978497543.db2.gz SMGLOQWKEYAQCM-QGZVFWFLSA-N -1 0 257.271 0.728 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)C(C)(C)NC(=O)[O-])n1 ZINC000738377970 978528334 /nfs/dbraw/zinc/52/83/34/978528334.db2.gz BUKJVGBVNJZQJF-UHFFFAOYSA-N -1 0 267.289 0.583 20 50 CCGDRM Cn1c2ccccc2sc1=NNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738996885 978612128 /nfs/dbraw/zinc/61/21/28/978612128.db2.gz DAOJDMPVGGTZKC-JGVFFNPUSA-N -1 0 291.332 0.892 20 50 CCGDRM N#Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000739101418 978616894 /nfs/dbraw/zinc/61/68/94/978616894.db2.gz HGJABUQSXZHFKA-VHSXEESVSA-N -1 0 273.248 0.040 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)CCCc1ccccc1 ZINC000739237497 978623016 /nfs/dbraw/zinc/62/30/16/978623016.db2.gz XGWQLMODWTVIJJ-RYUDHWBXSA-N -1 0 290.319 0.877 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)Cc1ccccc1F ZINC000739346460 978630700 /nfs/dbraw/zinc/63/07/00/978630700.db2.gz XGSDZTLOZSNSQZ-IUCAKERBSA-N -1 0 280.255 0.236 20 50 CCGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000739455343 978641204 /nfs/dbraw/zinc/64/12/04/978641204.db2.gz YWFWCLWFAAVGCU-DTWKUNHWSA-N -1 0 287.275 0.650 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)c1cccc(Cl)c1 ZINC000739938711 978659418 /nfs/dbraw/zinc/65/94/18/978659418.db2.gz XBESFJAOJZSYBY-UHFFFAOYSA-N -1 0 285.687 0.759 20 50 CCGDRM O=C([O-])c1cc(OC(=O)[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000740088729 978667799 /nfs/dbraw/zinc/66/77/99/978667799.db2.gz XBPGRBZKXZNQSV-SNVBAGLBSA-N -1 0 297.219 0.614 20 50 CCGDRM COCC(=O)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794919241 978828964 /nfs/dbraw/zinc/82/89/64/978828964.db2.gz SYULLNIGGMLGJT-VIFPVBQESA-N -1 0 280.280 0.635 20 50 CCGDRM Cn1cccc1C(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000814779724 978883899 /nfs/dbraw/zinc/88/38/99/978883899.db2.gz RUNIBQVYRSSUTH-UHFFFAOYSA-N -1 0 260.253 0.815 20 50 CCGDRM C[C@@H]1C(=NNC(=O)N2CCN(C)CC2)CC[C@@H]1CC(=O)[O-] ZINC000814912978 978898644 /nfs/dbraw/zinc/89/86/44/978898644.db2.gz DZLAVCHVYYOPAK-WDEREUQCSA-N -1 0 296.371 0.820 20 50 CCGDRM C[C@@H](CO)N(C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592761583 979351465 /nfs/dbraw/zinc/35/14/65/979351465.db2.gz GMBARIKXRNCENO-GUBZILKMSA-N -1 0 258.318 0.221 20 50 CCGDRM CC[C@H](C(=O)[O-])C(=O)NN(CCOC)CC(C)C ZINC001594755393 981666333 /nfs/dbraw/zinc/66/63/33/981666333.db2.gz IUCAKROFISQZKD-JTQLQIEISA-N -1 0 260.334 0.733 20 50 CCGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)NCCc1cccs1 ZINC001594755796 981669146 /nfs/dbraw/zinc/66/91/46/981669146.db2.gz SPXZGGCMVKOLJH-VIFPVBQESA-N -1 0 299.352 0.732 20 50 CCGDRM CCCC[C@H](NNC(=O)[C@@H]1CCO[C@H]1C)C(=O)[O-] ZINC001595641449 981968225 /nfs/dbraw/zinc/96/82/25/981968225.db2.gz XHDVOHGLPIEAKS-AEJSXWLSSA-N -1 0 258.318 0.676 20 50 CCGDRM CC[C@@](C)(NC(=O)/C(C#N)=C\c1cnn(C)c1)C(=O)[O-] ZINC001594835403 982029391 /nfs/dbraw/zinc/02/93/91/982029391.db2.gz HCSYUZPGLGMUCN-OMPYUXFZSA-N -1 0 276.296 0.697 20 50 CCGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000911257564 982318479 /nfs/dbraw/zinc/31/84/79/982318479.db2.gz UXZMFBAHYGHTCU-WDSKDSINSA-N -1 0 282.134 0.358 20 50 CCGDRM N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](O)C(=O)[O-] ZINC001574785687 983275486 /nfs/dbraw/zinc/27/54/86/983275486.db2.gz UHXSBPYNZCFHEV-GWZUUTHWSA-N -1 0 278.239 0.294 20 50 CCGDRM C#CC[C@H](NC(=O)NNC(=O)C(=O)[O-])c1ccccc1 ZINC001588407726 983429098 /nfs/dbraw/zinc/42/90/98/983429098.db2.gz NGXUTMOVFHGFLO-JTQLQIEISA-N -1 0 275.264 0.166 20 50 CCGDRM CCN(CCC(=O)[O-])C(=O)/C(C#N)=C\c1cnn(C)c1 ZINC001596303398 983729983 /nfs/dbraw/zinc/72/99/83/983729983.db2.gz BNUHZUPSWXEJHL-WDZFZDKYSA-N -1 0 276.296 0.650 20 50 CCGDRM CCN(CCO)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001596340599 983788168 /nfs/dbraw/zinc/78/81/68/983788168.db2.gz HUSZDWZYGWCMNG-IUODEOHRSA-N -1 0 292.335 0.590 20 50 CCGDRM CCN1CCO[C@H](C(=O)NNc2ccccc2C(=O)[O-])C1 ZINC001596442910 984141439 /nfs/dbraw/zinc/14/14/39/984141439.db2.gz WILNIXKWFDXOBS-LBPRGKRZSA-N -1 0 293.323 0.549 20 50 CCGDRM CCOC(=O)NNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001596665293 984727267 /nfs/dbraw/zinc/72/72/67/984727267.db2.gz SPXINQZSKBSAEX-UHFFFAOYSA-N -1 0 270.216 0.915 20 50 CCGDRM C[C@H]1CC[C@@H](C(=O)NN[C@H](C(=O)[O-])c2cccnc2)O1 ZINC001599906978 984936525 /nfs/dbraw/zinc/93/65/25/984936525.db2.gz WTKANQYACXZEBP-LSJOCFKGSA-N -1 0 279.296 0.396 20 50 CCGDRM C[C@H]1CC[C@@H](C(=O)NN=C2CC[C@@H](C(=O)[O-])C2)O1 ZINC001599907015 984936562 /nfs/dbraw/zinc/93/65/62/984936562.db2.gz ZMFUNQZRZNQESB-XKSSXDPKSA-N -1 0 254.286 0.911 20 50 CCGDRM CC(=NNC(=O)C(=O)[O-])c1ccccc1-n1ccnn1 ZINC001589010618 984980564 /nfs/dbraw/zinc/98/05/64/984980564.db2.gz DPBFXAMRQDUWCV-UHFFFAOYSA-N -1 0 273.252 0.192 20 50 CCGDRM CC(=NNC(=O)C(=O)[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001589010552 984980769 /nfs/dbraw/zinc/98/07/69/984980769.db2.gz BJJBXKSGZMSIMD-LURJTMIESA-N -1 0 273.289 0.476 20 50 CCGDRM CCO/C=C(/C#N)C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC001596859360 985614252 /nfs/dbraw/zinc/61/42/52/985614252.db2.gz AUHVPZPBZDXTTC-YYRDVDDBSA-N -1 0 256.233 0.454 20 50 CCGDRM CCO/C=C(/C#N)C(=O)N(CC#N)CCC(=O)[O-] ZINC001596859526 985617225 /nfs/dbraw/zinc/61/72/25/985617225.db2.gz DIKVZVSYYRFIAN-HJWRWDBZSA-N -1 0 251.242 0.257 20 50 CCGDRM Cc1c(C(=O)[O-])cc(C=NNC(=O)C(=O)NC(C)C)n1C ZINC001599984092 986205579 /nfs/dbraw/zinc/20/55/79/986205579.db2.gz ADAUMVBRVRMDRV-UHFFFAOYSA-N -1 0 294.311 0.006 20 50 CCGDRM CCOc1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)on1 ZINC001597005874 986333234 /nfs/dbraw/zinc/33/32/34/986333234.db2.gz MWEWNASJXHSZRU-UHFFFAOYSA-N -1 0 292.251 0.923 20 50 CCGDRM CSSCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC001599804122 988225959 /nfs/dbraw/zinc/22/59/59/988225959.db2.gz IBNGIVGAUUNRFJ-UHFFFAOYSA-N -1 0 275.355 0.709 20 50 CCGDRM C[C@@H](O)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(=O)[O-] ZINC001599844360 988906538 /nfs/dbraw/zinc/90/65/38/988906538.db2.gz VFHGSWNZKFKOQQ-COAKFPIKSA-N -1 0 290.275 0.249 20 50 CCGDRM CCc1nn(C)c(CC)c1C=NNC(=O)NCC(=O)[O-] ZINC001597712214 988975474 /nfs/dbraw/zinc/97/54/74/988975474.db2.gz OUSZMANMJIZEAQ-UHFFFAOYSA-N -1 0 281.316 0.263 20 50 CCGDRM C[C@@]1(C(=O)NNc2ccc(CC(=O)[O-])cc2)CCC(=O)N1 ZINC001599883135 989512675 /nfs/dbraw/zinc/51/26/75/989512675.db2.gz ZDIFIVXFKCYCJA-AWEZNQCLSA-N -1 0 291.307 0.426 20 50 CCGDRM CC(C)(CCl)CS(=O)(=O)N[C@H](CF)C(=O)[O-] ZINC001590701195 990415680 /nfs/dbraw/zinc/41/56/80/990415680.db2.gz GZZDHROOJKFZOF-ZCFIWIBFSA-N -1 0 275.729 0.594 20 50 CCGDRM CC(C)C(=O)NNC(=O)CN([C@@H](C)C(=O)[O-])C1CCC1 ZINC001590940128 990979207 /nfs/dbraw/zinc/97/92/07/990979207.db2.gz OIGQYOOQKHKBER-VIFPVBQESA-N -1 0 285.344 0.117 20 50 CCGDRM COc1ccc(NNC(=O)c2cc(C(=O)[O-])ccn2)nc1 ZINC001599598176 993776707 /nfs/dbraw/zinc/77/67/07/993776707.db2.gz NPEAKUVPBYAEDB-UHFFFAOYSA-N -1 0 288.263 0.940 20 50 CCGDRM CNC(=O)CCCC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001598640976 994318271 /nfs/dbraw/zinc/31/82/71/994318271.db2.gz YBNHHXRBRJLGFC-UHFFFAOYSA-N -1 0 279.296 0.744 20 50 CCGDRM COc1cccc(=NNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)[nH]1 ZINC001599679998 994963208 /nfs/dbraw/zinc/96/32/08/994963208.db2.gz SDFXDDHFVJGTSM-VIFPVBQESA-N -1 0 292.295 0.890 20 50 CCGDRM C[C@@H](O)CN(C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001593457621 995365637 /nfs/dbraw/zinc/36/56/37/995365637.db2.gz XKLVVAXZRLZAMB-SECBINFHSA-N -1 0 266.297 0.271 20 50 CCGDRM C[C@H](Sc1ccccc1C(=O)NNC(=O)CO)C(=O)[O-] ZINC001593672829 996079530 /nfs/dbraw/zinc/07/95/30/996079530.db2.gz YMAMXEPTQFRXLX-ZETCQYMHSA-N -1 0 298.320 0.005 20 50 CCGDRM COC(=O)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001598831895 996445532 /nfs/dbraw/zinc/44/55/32/996445532.db2.gz NYGWZYRZWVTUFN-UHFFFAOYSA-N -1 0 270.216 0.530 20 50 CCGDRM COC(=O)N(C)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001598875924 996762561 /nfs/dbraw/zinc/76/25/61/996762561.db2.gz QABVKPMJKTYPAM-UHFFFAOYSA-N -1 0 269.257 0.673 20 50 CCGDRM COC[C@@]1(C(=O)NNc2ccccc2C(=O)[O-])CCOC1 ZINC001599187144 997047519 /nfs/dbraw/zinc/04/75/19/997047519.db2.gz VHUVFYYGLUTBLR-AWEZNQCLSA-N -1 0 294.307 0.881 20 50 CCGDRM COCCN(C)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599232023 997878321 /nfs/dbraw/zinc/87/83/21/997878321.db2.gz KPTCPGUTTROUCA-IUODEOHRSA-N -1 0 292.335 0.854 20 50 CCGDRM COCCN(C)NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001599232216 997881366 /nfs/dbraw/zinc/88/13/66/997881366.db2.gz OQRIOSGVMWXBMV-UHFFFAOYSA-N -1 0 253.258 0.003 20 50 CCGDRM COCCN(C)NC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001599232463 997885661 /nfs/dbraw/zinc/88/56/61/997885661.db2.gz ROGAQGCDMDKJKE-UHFFFAOYSA-N -1 0 282.300 0.323 20 50 CCGDRM COCCONC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001599252876 998262087 /nfs/dbraw/zinc/26/20/87/998262087.db2.gz VZUJUCWCHRQBLW-UHFFFAOYSA-N -1 0 287.247 0.728 20 50 CCGDRM COC(=O)c1coc(C(C)=NNC(=O)NCC(=O)[O-])c1 ZINC001599014911 998930147 /nfs/dbraw/zinc/93/01/47/998930147.db2.gz WYXQEQVZAHUNHX-UHFFFAOYSA-N -1 0 283.240 0.174 20 50 CCGDRM C[C@@H]1CCN(S(=O)(=O)CCl)[C@@H](C(=O)[O-])C1 ZINC001594426664 999594787 /nfs/dbraw/zinc/59/47/87/999594787.db2.gz JYIBTAKHUFHOHL-RNFRBKRXSA-N -1 0 255.723 0.698 20 50 CCGDRM N#Cc1cccc([C@H](NNC(=O)c2cnccn2)C(=O)[O-])c1 ZINC000833075534 601299943 /nfs/dbraw/zinc/29/99/43/601299943.db2.gz LLCMFBLJTJOEIU-LBPRGKRZSA-N -1 0 297.274 0.409 20 50 CCGDRM Cc1ccccc1CC(=O)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000832977063 602058563 /nfs/dbraw/zinc/05/85/63/602058563.db2.gz BLNOLUTTWYWGBH-SNVBAGLBSA-N -1 0 278.308 0.796 20 50 CCGDRM COc1cc(OC)cc([C@@H](NNC(=O)C2CC2)C(=O)[O-])c1 ZINC000832056943 602164127 /nfs/dbraw/zinc/16/41/27/602164127.db2.gz KYERHKDKPAIXDM-GFCCVEGCSA-N -1 0 294.307 0.860 20 50 CCGDRM Cc1ccc(C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c(O)c1 ZINC000832912073 602266684 /nfs/dbraw/zinc/26/66/84/602266684.db2.gz SXZULALXSNAHFI-QMMMGPOBSA-N -1 0 280.280 0.572 20 50 CCGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000833178329 602323845 /nfs/dbraw/zinc/32/38/45/602323845.db2.gz FDAFRQLWQMDJBF-PHDIDXHHSA-N -1 0 266.213 0.154 20 50 CCGDRM COc1cc(F)cc(NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000832010278 602325563 /nfs/dbraw/zinc/32/55/63/602325563.db2.gz GAVXLXMWPVTGNA-UWVGGRQHSA-N -1 0 268.244 0.998 20 50 CCGDRM CN(C)C(=O)NNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000827974765 602764709 /nfs/dbraw/zinc/76/47/09/602764709.db2.gz FLXOEZWGBNEFJA-JTQLQIEISA-N -1 0 294.311 0.340 20 50 CCGDRM C[C@@H](CC(=O)NNC(=O)[O-])NC(=O)OC(C)(C)C ZINC000824672453 603218152 /nfs/dbraw/zinc/21/81/52/603218152.db2.gz XIRRIWWLSQMEIJ-LURJTMIESA-N -1 0 261.278 0.589 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000830026084 603441965 /nfs/dbraw/zinc/44/19/65/603441965.db2.gz WBOUSVRRQXFLCK-UWVGGRQHSA-N -1 0 293.327 0.973 20 50 CCGDRM 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CCGDRM CN(C)C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000745605001 978679430 /nfs/dbraw/zinc/67/94/30/978679430.db2.gz JORNYQIYELIIEV-UHFFFAOYSA-N -1 0 265.269 0.755 20 50 CCGDRM COCCO[C@H](C)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000748254343 978687798 /nfs/dbraw/zinc/68/77/98/978687798.db2.gz ZJGUOZGZGSRFLS-SNVBAGLBSA-N -1 0 294.307 0.886 20 50 CCGDRM Cc1cc(CC(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000814786934 978884974 /nfs/dbraw/zinc/88/49/74/978884974.db2.gz IGJWUWYJADOFTK-UHFFFAOYSA-N -1 0 275.268 0.437 20 50 CCGDRM C[C@@]1(C(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)CCCO1 ZINC000834996507 979243104 /nfs/dbraw/zinc/24/31/04/979243104.db2.gz LQNBHIYUYKLCMT-LBPRGKRZSA-N -1 0 265.269 0.732 20 50 CCGDRM CC(C)(C)[C@H](Br)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000836718138 979249747 /nfs/dbraw/zinc/24/97/47/979249747.db2.gz DJFDQVKKFUEVDC-LHLIQPBNSA-N -1 0 296.161 0.748 20 50 CCGDRM CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])c1ccc(C)cc1 ZINC001595252731 980222924 /nfs/dbraw/zinc/22/29/24/980222924.db2.gz 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284.316 0.021 20 50 CCGDRM CCCN(CCNC(=O)NNC(=O)CC(C)C)C(=O)[O-] ZINC000833855234 605999134 /nfs/dbraw/zinc/99/91/34/605999134.db2.gz QIXBFXFOIJDDNN-UHFFFAOYSA-N -1 0 288.348 0.753 20 50 CCGDRM CN(C)c1ccc(NC(=O)NNC(=O)CCC(=O)[O-])cc1 ZINC001610904694 970783852 /nfs/dbraw/zinc/78/38/52/970783852.db2.gz WFWMDFOAMXTLPG-UHFFFAOYSA-N -1 0 294.311 0.770 20 50 CCGDRM C#CCSCC(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1 ZINC001573290421 946904691 /nfs/dbraw/zinc/90/46/91/946904691.db2.gz YGFHENNXAYTGGI-UHFFFAOYSA-N -1 0 289.324 0.071 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc[n+]1[O-] ZINC001595261419 949667492 /nfs/dbraw/zinc/66/74/92/949667492.db2.gz AGOIOWNKZMIHRA-UHFFFAOYSA-N -1 0 274.236 0.170 20 50 CCGDRM CCCNC(=O)NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001589677121 950008401 /nfs/dbraw/zinc/00/84/01/950008401.db2.gz GGCHTVUIKCXKIA-UHFFFAOYSA-N -1 0 266.257 0.134 20 50 CCGDRM O=C([O-])CCCC(=O)NNc1nc2ccccn2n1 ZINC001595027854 951357389 /nfs/dbraw/zinc/35/73/89/951357389.db2.gz SFTSJPLAYXDLML-UHFFFAOYSA-N -1 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0.156 20 50 CCGDRM CC(C)NC(=O)NNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000824373358 603428032 /nfs/dbraw/zinc/42/80/32/603428032.db2.gz KEUVDLANNCCMCF-MRVPVSSYSA-N -1 0 272.305 0.258 20 50 CCGDRM COc1cc[nH]c(=NNC(=O)NCC(C)(C)NC(=O)[O-])n1 ZINC000829648744 603453150 /nfs/dbraw/zinc/45/31/50/603453150.db2.gz AMCHAIYUZFOGFP-UHFFFAOYSA-N -1 0 298.303 0.158 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)CC2CN(C(=O)[O-])C2)n1 ZINC000830026087 603644694 /nfs/dbraw/zinc/64/46/94/603644694.db2.gz WDFKETWCFCQMPY-UHFFFAOYSA-N -1 0 279.300 0.536 20 50 CCGDRM O=C(Cc1ccsc1)NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000831562088 603803621 /nfs/dbraw/zinc/80/36/21/603803621.db2.gz FHSUROSAHDPCTG-UHFFFAOYSA-N -1 0 297.336 0.438 20 50 CCGDRM C[C@@]1(C(=O)NNC(=O)C2CCCC2)CCN(C(=O)[O-])C1 ZINC000825673587 603877125 /nfs/dbraw/zinc/87/71/25/603877125.db2.gz RNPDFJINJVARHT-CYBMUJFWSA-N -1 0 283.328 0.714 20 50 CCGDRM O=C([O-])N1CC[C@](F)(C(=O)NNC(=O)C2CCC2)C1 ZINC000831736993 603891055 /nfs/dbraw/zinc/89/10/55/603891055.db2.gz ZQFFBTMUOCOSCG-LLVKDONJSA-N -1 0 273.264 0.026 20 50 CCGDRM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)C(C)C ZINC000826793132 603891953 /nfs/dbraw/zinc/89/19/53/603891953.db2.gz AHQOXIFJCVYDBC-SECBINFHSA-N -1 0 288.348 0.799 20 50 CCGDRM C[C@H]1CC/C(=C/C(=O)NNC(=O)NCCNC(=O)[O-])C1 ZINC000825866736 603920819 /nfs/dbraw/zinc/92/08/19/603920819.db2.gz SAJSWHFFAJRAEJ-FZGDARCMSA-N -1 0 284.316 0.331 20 50 CCGDRM CCc1n[nH]c(=O)c(C(=O)NNC(=O)[O-])c1CC ZINC000827622284 603936195 /nfs/dbraw/zinc/93/61/95/603936195.db2.gz ZSSIVEVBDOKGDC-UHFFFAOYSA-N -1 0 254.246 0.219 20 50 CCGDRM C[C@@H]1CC(=NNC(=O)NCCNC(=O)[O-])CN1C1CC1 ZINC000825778581 604009433 /nfs/dbraw/zinc/00/94/33/604009433.db2.gz PGJBBZPUQNAZTD-MRVPVSSYSA-N -1 0 283.332 0.166 20 50 CCGDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NN=c1nccc[nH]1 ZINC000832476841 604190292 /nfs/dbraw/zinc/19/02/92/604190292.db2.gz ZGAHAPFRGLYFPB-DTWKUNHWSA-N -1 0 294.315 0.539 20 50 CCGDRM C[C@@H]1C[C@H](NC(=O)NNC(=O)[O-])C(=O)N1c1ccccc1 ZINC000825794400 604226073 /nfs/dbraw/zinc/22/60/73/604226073.db2.gz KFDBUISBFMVCEO-SCZZXKLOSA-N -1 0 292.295 0.662 20 50 CCGDRM O=C([O-])NC1(C(=O)NNC(=O)c2ccccc2F)CC1 ZINC000832175816 604419305 /nfs/dbraw/zinc/41/93/05/604419305.db2.gz NUNLRWNFVQOBLC-UHFFFAOYSA-N -1 0 281.243 0.387 20 50 CCGDRM O=C([O-])NNC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000832748476 604621766 /nfs/dbraw/zinc/62/17/66/604621766.db2.gz MATNWVGDKZLSDE-ZJUUUORDSA-N -1 0 286.332 0.112 20 50 CCGDRM Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)[O-] ZINC000830489482 604640864 /nfs/dbraw/zinc/64/08/64/604640864.db2.gz ZIAPPTBRMXFNKI-UHFFFAOYSA-N -1 0 251.242 0.541 20 50 CCGDRM CC[C@H](C)C(=O)NN=C(C)c1cn(CC(=O)[O-])nn1 ZINC000828700803 604784960 /nfs/dbraw/zinc/78/49/60/604784960.db2.gz RYBTYNKREPOSGC-ZETCQYMHSA-N -1 0 267.289 0.249 20 50 CCGDRM CC(C)(CC(=O)[O-])CC(=O)NN=c1nccc[nH]1 ZINC000833455639 605100888 /nfs/dbraw/zinc/10/08/88/605100888.db2.gz MBQIQUHMZLUEAH-UHFFFAOYSA-N -1 0 252.274 0.811 20 50 CCGDRM O=C(C[C@H]1CN(C(=O)[O-])CCO1)NNc1ccccc1 ZINC000831387438 605252056 /nfs/dbraw/zinc/25/20/56/605252056.db2.gz JUBDSDYZQXZCOU-NSHDSACASA-N -1 0 279.296 0.899 20 50 CCGDRM O=C([O-])N1CCC[C@H]1C(=O)NN=c1cccc[nH]1 ZINC000834048565 605324825 /nfs/dbraw/zinc/32/48/25/605324825.db2.gz MXPLNXHISPLRSR-QMMMGPOBSA-N -1 0 250.258 0.667 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000834201292 605454466 /nfs/dbraw/zinc/45/44/66/605454466.db2.gz IKXHXYPNWYTCJT-UHFFFAOYSA-N -1 0 295.339 0.474 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000834200956 605456680 /nfs/dbraw/zinc/45/66/80/605456680.db2.gz DPFFZWRJTPBMTI-LBPRGKRZSA-N -1 0 291.307 0.595 20 50 CCGDRM CC(C)(C)CC(=O)NNC(=O)C1CN(C(=O)[O-])C1 ZINC000833791748 605522300 /nfs/dbraw/zinc/52/23/00/605522300.db2.gz ZODLAVATUSIYKZ-UHFFFAOYSA-N -1 0 257.290 0.180 20 50 CCGDRM CC[C@@H]1CCC[C@H](NC(=O)NNC(=O)CNC(=O)[O-])C1 ZINC000833846094 605524650 /nfs/dbraw/zinc/52/46/50/605524650.db2.gz QESLRJJJZOUUEE-BDAKNGLRSA-N -1 0 286.332 0.553 20 50 CCGDRM CC1(C)C(=O)Nc2ccc(C(=O)NNC(=O)[O-])cc21 ZINC000825697310 605525167 /nfs/dbraw/zinc/52/51/67/605525167.db2.gz PIYNXORSKYPZLS-UHFFFAOYSA-N -1 0 263.253 0.829 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)NCCC1=CCCC1 ZINC000834204785 605534208 /nfs/dbraw/zinc/53/42/08/605534208.db2.gz LWOMMFWHPQFIEW-UHFFFAOYSA-N -1 0 270.289 0.085 20 50 CCGDRM Cc1nc(C)c(C=NNC(=O)NCC(=O)[O-])s1 ZINC000833754799 605588886 /nfs/dbraw/zinc/58/88/86/605588886.db2.gz JEWPPQWBWWAKQW-UHFFFAOYSA-N -1 0 256.287 0.478 20 50 CCGDRM O=C([O-])NNC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000834251972 605599765 /nfs/dbraw/zinc/59/97/65/605599765.db2.gz WXPBZDNSUGAUIB-UHFFFAOYSA-N -1 0 266.179 0.748 20 50 CCGDRM CC(C)C(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000824043809 605600749 /nfs/dbraw/zinc/60/07/49/605600749.db2.gz MEMQPVCVHBRKCN-MRVPVSSYSA-N -1 0 289.357 0.275 20 50 CCGDRM O=C([O-])N1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834050188 605612816 /nfs/dbraw/zinc/61/28/16/605612816.db2.gz XBYDDIONQQZMJC-ZETCQYMHSA-N -1 0 283.263 0.449 20 50 CCGDRM O=C([O-])NNC(=O)Cn1cnc(-c2ccccc2)n1 ZINC000834251236 605623952 /nfs/dbraw/zinc/62/39/52/605623952.db2.gz SLLMKLNDGALYKG-UHFFFAOYSA-N -1 0 261.241 0.244 20 50 CCGDRM O=C([O-])N1CCCC[C@H]1C(=O)NNc1ncc(F)cn1 ZINC000834048540 605692573 /nfs/dbraw/zinc/69/25/73/605692573.db2.gz MRFZVYUNKFXRFJ-QMMMGPOBSA-N -1 0 283.263 0.591 20 50 CCGDRM O=C([O-])NCCC(=O)NN=Cc1cccc(F)c1O ZINC000834227094 605749119 /nfs/dbraw/zinc/74/91/19/605749119.db2.gz JCDSDPYYAUUATA-UHFFFAOYSA-N -1 0 269.232 0.639 20 50 CCGDRM Cn1cc(CNC(=O)NNC(=O)[O-])c(C(F)(F)F)n1 ZINC000833945569 605754740 /nfs/dbraw/zinc/75/47/40/605754740.db2.gz ABJWTGXAHDTGIF-UHFFFAOYSA-N -1 0 281.194 0.421 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)Nc1ccccc1 ZINC000834230598 605794148 /nfs/dbraw/zinc/79/41/48/605794148.db2.gz AMZLWOFBIWDAHV-UHFFFAOYSA-N -1 0 280.284 0.887 20 50 CCGDRM Cn1ccc(C=NNC(=O)CCCNC(=O)[O-])c1 ZINC000833951011 605796235 /nfs/dbraw/zinc/79/62/35/605796235.db2.gz QRCPATVZDVQKHC-UHFFFAOYSA-N -1 0 252.274 0.523 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=Cc1ccc(O)cc1 ZINC000834228502 605797301 /nfs/dbraw/zinc/79/73/01/605797301.db2.gz JLRNATIDTXDFCK-UHFFFAOYSA-N -1 0 265.269 0.890 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=Cc1csnn1 ZINC000834228997 605797807 /nfs/dbraw/zinc/79/78/07/605797807.db2.gz WYISQZRMTWZICJ-UHFFFAOYSA-N -1 0 257.275 0.036 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=Cc1ccccn1 ZINC000834229084 605800314 /nfs/dbraw/zinc/80/03/14/605800314.db2.gz ZXVRZUHAHSSFQT-UHFFFAOYSA-N -1 0 250.258 0.580 20 50 CCGDRM CCCNC(=O)NNC(=O)[C@]1(CC)CCCN1C(=O)[O-] ZINC000833855846 605824874 /nfs/dbraw/zinc/82/48/74/605824874.db2.gz PDQSNHJIEMWZSI-LBPRGKRZSA-N -1 0 286.332 0.649 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)Cc1cccc(Cl)c1 ZINC000834227474 605843188 /nfs/dbraw/zinc/84/31/88/605843188.db2.gz VKGGRFIKLHRDGJ-UHFFFAOYSA-N -1 0 299.714 0.688 20 50 CCGDRM Cc1noc(C)c1[C@H](C)C(=O)NNC(=O)CCNC(=O)[O-] ZINC000833926968 605843978 /nfs/dbraw/zinc/84/39/78/605843978.db2.gz IBSAKMHVQIHGBV-LURJTMIESA-N -1 0 298.299 0.200 20 50 CCGDRM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccnc(F)c1 ZINC000834050420 605875332 /nfs/dbraw/zinc/87/53/32/605875332.db2.gz YRYHAHPSLDKIKH-ZETCQYMHSA-N -1 0 286.288 0.717 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)c1cc(C2CC2)n[nH]1 ZINC000834230797 605973959 /nfs/dbraw/zinc/97/39/59/605973959.db2.gz CSTCCKXCQTVYQA-UHFFFAOYSA-N -1 0 295.299 0.096 20 50 CCGDRM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)C1CC1 ZINC000833829043 605998969 /nfs/dbraw/zinc/99/89/69/605998969.db2.gz JDJPKKFGPSXCDZ-RNCFNFMXSA-N -1 0 283.328 0.760 20 50 CCGDRM O=C([O-])NCCNC(=O)NN=Cc1cccc(F)c1O ZINC000834243811 606054579 /nfs/dbraw/zinc/05/45/79/606054579.db2.gz VRXAQXSENSPPEK-UHFFFAOYSA-N -1 0 284.247 0.432 20 50 CCGDRM C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)CBr ZINC000306466236 963197961 /nfs/dbraw/zinc/19/79/61/963197961.db2.gz JNVKEFUSKKAHDE-NTSWFWBYSA-N -1 0 286.147 0.464 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNC(=O)NCc1ccco1 ZINC001601543563 971013542 /nfs/dbraw/zinc/01/35/42/971013542.db2.gz CTVMQIUXPGNKBB-DTWKUNHWSA-N -1 0 281.268 0.221 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)C2CCCC2)cn1 ZINC001601553834 971014675 /nfs/dbraw/zinc/01/46/75/971014675.db2.gz XDPLEXNUTNYGKO-UHFFFAOYSA-N -1 0 277.280 0.731 20 50 CCGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H](C)C#N)o1 ZINC000735503133 944668884 /nfs/dbraw/zinc/66/88/84/944668884.db2.gz HDIDYBSAWXBAGZ-LURJTMIESA-N -1 0 290.287 0.581 20 50 CCGDRM C=C[C@@](C)(O)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001602717461 971367252 /nfs/dbraw/zinc/36/72/52/971367252.db2.gz NGGFHAZIKBYPHZ-LLVKDONJSA-N -1 0 251.242 0.160 20 50 CCGDRM CCCNC(=O)NNC(=O)c1coc(C=CC(=O)[O-])c1 ZINC001589677110 950007628 /nfs/dbraw/zinc/00/76/28/950007628.db2.gz DVAGYGRMEMHEIX-ONEGZZNKSA-N -1 0 281.268 0.731 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001602847514 971684177 /nfs/dbraw/zinc/68/41/77/971684177.db2.gz PAZNRQAGGCCXFG-SSDOTTSWSA-N -1 0 258.318 0.927 20 50 CCGDRM CC(C)(C)[C@@H](Br)C(=O)OCC(=O)C(=O)[O-] ZINC001602847846 971685710 /nfs/dbraw/zinc/68/57/10/971685710.db2.gz YDGYWDVDABQUQB-LURJTMIESA-N -1 0 281.102 0.993 20 50 CCGDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)C1CCOCC1 ZINC001602852904 971693989 /nfs/dbraw/zinc/69/39/89/971693989.db2.gz TUKWFWPIIGCMFJ-SECBINFHSA-N -1 0 286.328 0.307 20 50 CCGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2ccnc(F)c2)CO1 ZINC001595006160 951201290 /nfs/dbraw/zinc/20/12/90/951201290.db2.gz RFFQELVZYYMIDN-WPRPVWTQSA-N -1 0 297.286 0.934 20 50 CCGDRM O=C([O-])CCCCC(=O)NNc1nc2ccccn2n1 ZINC001595032647 951379648 /nfs/dbraw/zinc/37/96/48/951379648.db2.gz DCLIJJZUAMJVTR-UHFFFAOYSA-N -1 0 277.284 0.817 20 50 CCGDRM O=C([O-])COCC(=O)NNc1ccccc1Cl ZINC001595106926 951881519 /nfs/dbraw/zinc/88/15/19/951881519.db2.gz CSTIAQOYNHJNCF-UHFFFAOYSA-N -1 0 258.661 0.884 20 50 CCGDRM O=C([O-])c1ncccc1NC(=O)NN=c1nccc[nH]1 ZINC001594781006 953629159 /nfs/dbraw/zinc/62/91/59/953629159.db2.gz CLBMGEOLERYJRU-UHFFFAOYSA-N -1 0 274.240 0.718 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cc2ncccn2n1 ZINC001594781187 953630061 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253.233 0.919 20 50 CCGDRM C[N@@H+]1CCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593780258 954641723 /nfs/dbraw/zinc/64/17/23/954641723.db2.gz WSPOIQXJVPFQNW-SECBINFHSA-N -1 0 264.285 0.317 20 50 CCGDRM CCC(CC)(C(=O)[O-])C(=O)NNc1ncc(F)cn1 ZINC001589475876 954957660 /nfs/dbraw/zinc/95/76/60/954957660.db2.gz NXOJZIIHVOMOGM-UHFFFAOYSA-N -1 0 270.264 0.950 20 50 CCGDRM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)Cc1cc(C)[nH]n1 ZINC001589476070 954958925 /nfs/dbraw/zinc/95/89/25/954958925.db2.gz VDTQBMALYDMZML-UHFFFAOYSA-N -1 0 296.327 0.299 20 50 CCGDRM CC[C@@H](CNC(=O)NNC(=O)CC(C)(C)C)C(=O)[O-] ZINC001589539937 955192737 /nfs/dbraw/zinc/19/27/37/955192737.db2.gz ZPMJOELHGURGSO-QMMMGPOBSA-N -1 0 273.333 0.864 20 50 CCGDRM CCc1ccc(C(=O)NNC(=O)NCCC(=O)[O-])cc1 ZINC000818335834 955396661 /nfs/dbraw/zinc/39/66/61/955396661.db2.gz QGYDOQHJUTVLOL-UHFFFAOYSA-N -1 0 279.296 0.668 20 50 CCGDRM CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000820377865 955469689 /nfs/dbraw/zinc/46/96/89/955469689.db2.gz 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CO[C@@H](C(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21 ZINC001604434831 973232029 /nfs/dbraw/zinc/23/20/29/973232029.db2.gz NSUPPMFZHLPKFN-MRVPVSSYSA-N -1 0 281.293 0.839 20 50 CCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001603479903 973379432 /nfs/dbraw/zinc/37/94/32/973379432.db2.gz LDBGETIZLMBXDX-DTWKUNHWSA-N -1 0 284.312 0.204 20 50 CCGDRM Cc1nnc(NNC(=O)Nc2cc(C(=O)[O-])ccn2)n1C ZINC001605444776 973512065 /nfs/dbraw/zinc/51/20/65/973512065.db2.gz UIHCUGBAWBYHJJ-UHFFFAOYSA-N -1 0 291.271 0.365 20 50 CCGDRM COc1cc(F)cc(NNC(=O)[C@](C)(OC)C(=O)[O-])c1 ZINC001604719563 973920231 /nfs/dbraw/zinc/92/02/31/973920231.db2.gz DRKIDWXWGLGAFA-LBPRGKRZSA-N -1 0 286.259 0.767 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNc2nccnc2Cl)nc1 ZINC001606478489 973955975 /nfs/dbraw/zinc/95/59/75/973955975.db2.gz CJTUCYRNERUNRD-UHFFFAOYSA-N -1 0 293.670 0.980 20 50 CCGDRM COC(=O)NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000491311517 974256643 /nfs/dbraw/zinc/25/66/43/974256643.db2.gz BTWHWRGWBRQJEC-UHFFFAOYSA-N 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295.295 0.252 20 50 CCGDRM CC(C)(C)OC(=O)NNC(=O)CSCC(=O)[O-] ZINC000738712806 955251212 /nfs/dbraw/zinc/25/12/12/955251212.db2.gz CCYAXOHDBMBEOD-UHFFFAOYSA-N -1 0 264.303 0.360 20 50 CCGDRM COc1ccccc1C(=O)NNC(=O)CSCC(=O)[O-] ZINC000739955590 955256127 /nfs/dbraw/zinc/25/61/27/955256127.db2.gz PALIDBRJRADTQL-UHFFFAOYSA-N -1 0 298.320 0.274 20 50 CCGDRM O=C([O-])c1cccc(C=NNC(=O)[C@@H]2COCCO2)c1 ZINC000814861377 955364528 /nfs/dbraw/zinc/36/45/28/955364528.db2.gz SIVKEDUCSAFPHX-NSHDSACASA-N -1 0 278.264 0.250 20 50 CCGDRM CC(C)(C(=O)NNC(=O)NCCC(=O)[O-])c1ccccc1 ZINC000817791261 955367968 /nfs/dbraw/zinc/36/79/68/955367968.db2.gz BYVPOXDOTLZUEU-UHFFFAOYSA-N -1 0 293.323 0.769 20 50 CCGDRM CC(C)(CCNC(=O)NN=c1nccc[nH]1)C(=O)[O-] ZINC000818624287 955410644 /nfs/dbraw/zinc/41/06/44/955410644.db2.gz NVDPVRSRNGOCTB-UHFFFAOYSA-N -1 0 267.289 0.604 20 50 CCGDRM O=C([O-])CCCNC(=O)NNC(=O)CCc1ccco1 ZINC000819443049 955445905 /nfs/dbraw/zinc/44/59/05/955445905.db2.gz ILRPQTMZMMAJDA-UHFFFAOYSA-N -1 0 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297.315 0.306 20 50 CCGDRM O=C(CC[C@@H]1CCCN1C(=O)[O-])NNC(=O)NC1CC1 ZINC000833998587 605427910 /nfs/dbraw/zinc/42/79/10/605427910.db2.gz RKBUPUQQTTZPNJ-VIFPVBQESA-N -1 0 284.316 0.402 20 50 CCGDRM CCn1c(C)cc(C(=O)NNC(=O)CNC(=O)[O-])c1C ZINC000833867172 605443395 /nfs/dbraw/zinc/44/33/95/605443395.db2.gz MZAYFVKGEAESKC-UHFFFAOYSA-N -1 0 282.300 0.153 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccnc2ccccc21 ZINC000834203030 605452417 /nfs/dbraw/zinc/45/24/17/605452417.db2.gz JVAFNLQJXZPEFV-UHFFFAOYSA-N -1 0 288.263 0.263 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)c1cccc2cnccc21 ZINC000834203319 605474933 /nfs/dbraw/zinc/47/49/33/605474933.db2.gz QFCGZLJGWPGCLH-UHFFFAOYSA-N -1 0 288.263 0.263 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)NC1CCCCCCC1 ZINC000834201029 605493760 /nfs/dbraw/zinc/49/37/60/605493760.db2.gz DPVNCXAOTUZVCN-UHFFFAOYSA-N -1 0 286.332 0.697 20 50 CCGDRM O=C([O-])NCC(=O)NNC(=O)N[C@@H]1CCCc2occc21 ZINC000834201860 605503821 /nfs/dbraw/zinc/50/38/21/605503821.db2.gz 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279.231 0.259 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNc1ncncc1F ZINC001595182488 952255434 /nfs/dbraw/zinc/25/54/34/952255434.db2.gz SWXQPBQRYXJQDZ-PHDIDXHHSA-N -1 0 254.221 0.170 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ncncc2F)C1 ZINC001594781962 953639938 /nfs/dbraw/zinc/63/99/38/953639938.db2.gz ZFFWSRQDMPTNAA-NKWVEPMBSA-N -1 0 268.248 0.560 20 50 CCGDRM O=C([O-])C1(C(=O)NNC(=O)NC2CC2)CCSCC1 ZINC001594782763 953648725 /nfs/dbraw/zinc/64/87/25/953648725.db2.gz KSUOZDLHPSMBHN-UHFFFAOYSA-N -1 0 287.341 0.077 20 50 CCGDRM O=C([O-])[C@@H](C(=O)NNC(=S)NCC1CCC1)C1CC1 ZINC001594835802 954024819 /nfs/dbraw/zinc/02/48/19/954024819.db2.gz LJFINGUMOAHCPA-SECBINFHSA-N -1 0 285.369 0.393 20 50 CCGDRM CN(NC(=O)[C@H](C(=O)[O-])C1CC1)C(=O)OC(C)(C)C ZINC001593766492 954521925 /nfs/dbraw/zinc/52/19/25/954521925.db2.gz QKKIJLAKLMXJJI-MRVPVSSYSA-N -1 0 272.301 0.995 20 50 CCGDRM CNC(=O)NNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001593793227 954778195 /nfs/dbraw/zinc/77/81/95/954778195.db2.gz 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CSCCNC(=S)NNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594186594 959133935 /nfs/dbraw/zinc/13/39/35/959133935.db2.gz OFVHKEPZYGHUDR-ZETCQYMHSA-N -1 0 293.414 0.202 20 50 CCGDRM C[C@H](C(=O)[O-])C(=O)NNc1cc(=O)[nH]c2ncccc12 ZINC001588576147 959232093 /nfs/dbraw/zinc/23/20/93/959232093.db2.gz OGQWVOLHIXDEII-LURJTMIESA-N -1 0 276.252 0.499 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)CNc1ccccc1 ZINC001594228198 959451324 /nfs/dbraw/zinc/45/13/24/959451324.db2.gz PCBXIAHLYMXPAV-OTYXRUKQSA-N -1 0 291.307 0.357 20 50 CCGDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)CC1CC1 ZINC001588633777 959629857 /nfs/dbraw/zinc/62/98/57/959629857.db2.gz BCAJDKBDILDJLE-VIFPVBQESA-N -1 0 256.302 0.681 20 50 CCGDRM Cc1c(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)nnn1C ZINC001594256786 959657121 /nfs/dbraw/zinc/65/71/21/959657121.db2.gz MGKYGCFYSIDZDD-UHFFFAOYSA-N -1 0 287.279 0.586 20 50 CCGDRM Cc1nnc(NNC(=O)CCCCC(=O)[O-])n1C ZINC001594493206 959724118 /nfs/dbraw/zinc/72/41/18/959724118.db2.gz UCDMJLLWKIMALI-UHFFFAOYSA-N -1 0 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257.290 0.226 20 50 CCGDRM O=C([O-])CCCC=NNC(=O)Nc1ccncc1 ZINC001595031482 951371187 /nfs/dbraw/zinc/37/11/87/951371187.db2.gz NWYXPYNWWMJDAW-UHFFFAOYSA-N -1 0 250.258 0.866 20 50 CCGDRM O=C([O-])COCC(=O)NN=c1cc(C(F)(F)F)cc[nH]1 ZINC001595107307 951885778 /nfs/dbraw/zinc/88/57/78/951885778.db2.gz RWDVUSXAMCNIKN-UHFFFAOYSA-N -1 0 293.201 0.645 20 50 CCGDRM O=C([O-])Cn1ccc(NC(=O)NNc2ncccc2F)n1 ZINC001595151619 952138232 /nfs/dbraw/zinc/13/82/32/952138232.db2.gz GLWDXEFDHXGVIB-UHFFFAOYSA-N -1 0 294.246 0.650 20 50 CCGDRM O=C([O-])[C@H](C(=O)NNC(=O)c1ccoc1)C1CCCC1 ZINC001594779267 953614886 /nfs/dbraw/zinc/61/48/86/953614886.db2.gz OORPATMCUXZHLC-JTQLQIEISA-N -1 0 280.280 0.932 20 50 CCGDRM O=C([O-])C1(C(=O)NNC(=O)c2ccncc2)CCCCC1 ZINC001594779583 953616155 /nfs/dbraw/zinc/61/61/55/953616155.db2.gz ULDJPPIPTMHOSN-UHFFFAOYSA-N -1 0 291.307 0.878 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(Cl)nn1 ZINC001594781264 953630249 /nfs/dbraw/zinc/63/02/49/953630249.db2.gz 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955519848 /nfs/dbraw/zinc/51/98/48/955519848.db2.gz FDGBJFCLCSYLLI-UHFFFAOYSA-N -1 0 254.202 0.172 20 50 CCGDRM Cn1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(=O)[O-])cn1 ZINC001594538794 955609114 /nfs/dbraw/zinc/60/91/14/955609114.db2.gz RKCUVHSBMULBDB-WMZJFQQLSA-N -1 0 276.296 0.697 20 50 CCGDRM Cn1nc(C(=O)[O-])cc1C=NNC(=O)OCC(F)(F)F ZINC001594571632 955886224 /nfs/dbraw/zinc/88/62/24/955886224.db2.gz AEDBOSMOZZXBLQ-UHFFFAOYSA-N -1 0 294.189 0.741 20 50 CCGDRM CC(C)(CCl)CS(=O)(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000864498377 955984561 /nfs/dbraw/zinc/98/45/61/955984561.db2.gz IAYIYDFFIRVPFY-SNVBAGLBSA-N -1 0 299.776 0.415 20 50 CCGDRM N#Cc1cc(Cl)nc(NNC(=O)COCC(=O)[O-])c1 ZINC001594616992 956244615 /nfs/dbraw/zinc/24/46/15/956244615.db2.gz VSKLJPTXIXFMBE-UHFFFAOYSA-N -1 0 284.659 0.151 20 50 CCGDRM C[C@@H](O)CN(C)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589151797 956326376 /nfs/dbraw/zinc/32/63/76/956326376.db2.gz BZZTUFSGOOWALP-BXKDBHETSA-N -1 0 256.302 0.141 20 50 CCGDRM C[C@]1(C(=O)NCCC(=O)[O-])C[C@H]1Br 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C[C@@H](CO)N(C)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603201745 972310112 /nfs/dbraw/zinc/31/01/12/972310112.db2.gz HWUQBIOFQHXLRP-RTMURIBGSA-N -1 0 268.269 0.335 20 50 CCGDRM C[C@H](CO)N(C)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603202116 972310917 /nfs/dbraw/zinc/31/09/17/972310917.db2.gz KTPFPPGJNWOPPP-SECBINFHSA-N -1 0 282.296 0.107 20 50 CCGDRM COc1ccc(C(=O)NNC(=O)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC001594078671 958243612 /nfs/dbraw/zinc/24/36/12/958243612.db2.gz KHXGFCPNXLQLPV-SSDOTTSWSA-N -1 0 296.279 0.186 20 50 CCGDRM COc1ncc[nH]c1=NNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594159559 958871595 /nfs/dbraw/zinc/87/15/95/958871595.db2.gz QQRYMCGYQJEEJZ-VIFPVBQESA-N -1 0 294.311 0.819 20 50 CCGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cccc2cccnc21 ZINC001588573393 959199474 /nfs/dbraw/zinc/19/94/74/959199474.db2.gz DVZPPRZPDXSQAJ-MRVPVSSYSA-N -1 0 287.275 0.717 20 50 CCGDRM CC(C)NC(=S)NNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001573547367 959216154 /nfs/dbraw/zinc/21/61/54/959216154.db2.gz LNGWMCHPOMBFRA-LDWIPMOCSA-N -1 0 259.331 0.001 20 50 CCGDRM O=C([O-])[C@@H](CNC(=O)NNC(=O)c1ccc[nH]1)C1CCC1 ZINC001605751289 972411998 /nfs/dbraw/zinc/41/19/98/972411998.db2.gz ZXHUOAVKIUWGGT-VIFPVBQESA-N -1 0 294.311 0.460 20 50 CCGDRM C[C@@H]1CC[C@H](C(=O)NNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC001594216373 959335902 /nfs/dbraw/zinc/33/59/02/959335902.db2.gz SXHLFQHJGWXUQW-DOLQZWNJSA-N -1 0 284.312 0.202 20 50 CCGDRM C[C@@H]1CC[C@H](C(=O)NNC(=O)c2cccc(C(=O)[O-])c2)O1 ZINC001594216477 959335915 /nfs/dbraw/zinc/33/59/15/959335915.db2.gz XLNMJTNSRNYJHI-LDYMZIIASA-N -1 0 292.291 0.713 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)Cc1ccccc1O ZINC001594228086 959450004 /nfs/dbraw/zinc/45/00/04/959450004.db2.gz GVRYZTYWWASDIN-CLAHSXSESA-N -1 0 292.291 0.193 20 50 CCGDRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1cccc(F)n1 ZINC001594228242 959452944 /nfs/dbraw/zinc/45/29/44/959452944.db2.gz SMLTWRURMZGJRV-KBUNVGBDSA-N -1 0 253.233 0.775 20 50 CCGDRM CC(C)(C)CC(=O)NNC(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001588642960 959710347 /nfs/dbraw/zinc/71/03/47/959710347.db2.gz VDTWIJCEVUXBNN-UHFFFAOYSA-N -1 0 297.315 0.557 20 50 CCGDRM COC(=O)C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC001318902634 960920760 /nfs/dbraw/zinc/92/07/60/960920760.db2.gz GSQPFRORDUCNDH-UHFFFAOYSA-N -1 0 250.210 0.008 20 50 CCGDRM CC(C)[C@H](C(=O)[O-])C(=O)NN=c1ncc(Cl)c[nH]1 ZINC001588807938 961486155 /nfs/dbraw/zinc/48/61/55/961486155.db2.gz FRUKFURCISLTOJ-ZETCQYMHSA-N -1 0 272.692 0.930 20 50 CCGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1cccnc1 ZINC001588808126 961493064 /nfs/dbraw/zinc/49/30/64/961493064.db2.gz JTIIGMDVMSZYLK-VIFPVBQESA-N -1 0 265.269 0.199 20 50 CCGDRM CC(C)[C@H](C(=O)[O-])C(=O)NNC(=O)OC(C)(C)C ZINC001588808620 961502406 /nfs/dbraw/zinc/50/24/06/961502406.db2.gz VLKJIIGJLVUMBD-ZETCQYMHSA-N -1 0 260.290 0.899 20 50 CCGDRM Cn1cc(/C=C(\C#N)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cn1 ZINC001574458597 961533340 /nfs/dbraw/zinc/53/33/40/961533340.db2.gz VEBUSQCSWGUHSY-SRXIBPRUSA-N -1 0 288.307 0.697 20 50 CCGDRM CC(C)CC(=O)NNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC001588843275 961841221 /nfs/dbraw/zinc/84/12/21/961841221.db2.gz IMOBYGQBSDFTNQ-YUMQZZPRSA-N -1 0 276.358 0.775 20 50 CCGDRM CC(C)NC(=O)NNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001588925130 962421391 /nfs/dbraw/zinc/42/13/91/962421391.db2.gz GXCHLJTZPYFQGY-LBPRGKRZSA-N -1 0 269.301 0.536 20 50 CCGDRM O=C([O-])C=Cc1cc(C(=O)NNc2cccnn2)co1 ZINC001574666565 962519644 /nfs/dbraw/zinc/51/96/44/962519644.db2.gz DUELXTAWIZHQNO-ONEGZZNKSA-N -1 0 274.236 0.924 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1 ZINC000285104337 967906234 /nfs/dbraw/zinc/90/62/34/967906234.db2.gz MDSQVZYEPQDKMI-RKDXNWHRSA-N -1 0 264.285 0.647 20 50 CCGDRM C[C@@H](CC(=O)[O-])NC(=O)NNC(=O)c1ccccc1F ZINC001609885204 970572518 /nfs/dbraw/zinc/57/25/18/970572518.db2.gz HVHMSGMHWOQMEH-ZETCQYMHSA-N -1 0 283.259 0.633 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NNC(=O)c2ccncc2)C1 ZINC001605815928 972547564 /nfs/dbraw/zinc/54/75/64/972547564.db2.gz YUVIBNPDTJBODE-VHSXEESVSA-N -1 0 277.280 0.344 20 50 CCGDRM CN1CC[C@@](C)(C(=O)NN=c2[nH]cccc2C(=O)[O-])C1=O ZINC001604203567 972667522 /nfs/dbraw/zinc/66/75/22/972667522.db2.gz WIXZCJAOPQJRTO-ZDUSSCGKSA-N -1 0 292.295 0.091 20 50 CCGDRM CNC(=S)N(C)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001604248993 972775097 /nfs/dbraw/zinc/77/50/97/972775097.db2.gz CPWMSYDVDCSZBA-LLVKDONJSA-N -1 0 271.342 0.265 20 50 CCGDRM Cc1cc(C)n(CC(=O)NNC(=O)CCCCC(=O)[O-])n1 ZINC001605157812 972846471 /nfs/dbraw/zinc/84/64/71/972846471.db2.gz MLQJOCFEMAQZTG-UHFFFAOYSA-N -1 0 296.327 0.292 20 50 CCGDRM Cc1ccc(OCC(=O)NNC(=O)CCC(=O)[O-])cc1C ZINC001605301537 973115609 /nfs/dbraw/zinc/11/56/09/973115609.db2.gz QKNOASPIKHWRBG-UHFFFAOYSA-N -1 0 294.307 0.694 20 50 CCGDRM O=C([O-])CCC(=O)NN=c1cc[nH]c2cccnc21 ZINC001606101886 973281458 /nfs/dbraw/zinc/28/14/58/973281458.db2.gz ZODBZRIXRZMFAH-UHFFFAOYSA-N -1 0 260.253 0.360 20 50 CCGDRM CC(C)NC(=S)NNC(=O)c1cccc(C(=O)[O-])c1 ZINC001603904192 974406382 /nfs/dbraw/zinc/40/63/82/974406382.db2.gz IDQFOCGUGASNRG-UHFFFAOYSA-N -1 0 281.337 0.902 20 50 CCGDRM C[C@H](CBr)CN1CCOC[C@@H]1C(=O)[O-] ZINC001592213200 977272570 /nfs/dbraw/zinc/27/25/70/977272570.db2.gz XDZPQYBIJWVCTH-HTQZYQBOSA-N -1 0 266.135 0.803 20 50 CCGDRM C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)CCCCl ZINC001592219285 977386668 /nfs/dbraw/zinc/38/66/68/977386668.db2.gz RFKDUYBNDDIEJG-KGGZQZJCSA-N -1 0 255.723 0.564 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)CC(F)(F)F ZINC000736373176 978323555 /nfs/dbraw/zinc/32/35/55/978323555.db2.gz AOFVWYFCOVSUAD-LURJTMIESA-N -1 0 285.222 0.378 20 50 CCGDRM CC(C)[C@@H](NC(=O)[O-])C(=O)NN=c1[nH]ccnc1Cl ZINC000736377334 978328553 /nfs/dbraw/zinc/32/85/53/978328553.db2.gz ZQZBNVOSBPMQAQ-ZCFIWIBFSA-N -1 0 287.707 0.865 20 50 CCGDRM CCCCNC(=O)NNC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736999222 978371087 /nfs/dbraw/zinc/37/10/87/978371087.db2.gz TYNIATVTSPUMGV-MRVPVSSYSA-N -1 0 274.321 0.409 20 50 CCGDRM CN(CC(=O)NN=c1[nH]cccc1Cl)C(=O)[O-] ZINC000737394324 978404410 /nfs/dbraw/zinc/40/44/10/978404410.db2.gz ZVVSCUAAHGKRKL-UHFFFAOYSA-N -1 0 258.665 0.788 20 50 CCGDRM Cc1cc(C)[nH]c(=NNC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC000738379782 978530597 /nfs/dbraw/zinc/53/05/97/978530597.db2.gz QYDKSZHSJOZYPW-SECBINFHSA-N -1 0 281.316 0.829 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1 ZINC000739340934 978630011 /nfs/dbraw/zinc/63/00/11/978630011.db2.gz CLZVNSJVKUTBHD-UHFFFAOYSA-N -1 0 288.263 0.112 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)nc1 ZINC000739453920 978639086 /nfs/dbraw/zinc/63/90/86/978639086.db2.gz NAAASLFPIOUBQW-BQBZGAKWSA-N -1 0 283.671 0.217 20 50 CCGDRM NC(=O)NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799865460 978841754 /nfs/dbraw/zinc/84/17/54/978841754.db2.gz ZQZACNVBDYNMCM-UHFFFAOYSA-N -1 0 260.253 0.728 20 50 CCGDRM O=C([O-])Cn1cc(C=NNC(=O)CO)c2ccccc21 ZINC000799883417 978844185 /nfs/dbraw/zinc/84/41/85/978844185.db2.gz BMEIGWVIIVXHQZ-UHFFFAOYSA-N -1 0 275.264 0.168 20 50 CCGDRM O=C([O-])C1=CC[C@@H](NS(=O)(=O)CBr)C1 ZINC000853070439 979600829 /nfs/dbraw/zinc/60/08/29/979600829.db2.gz XPWLFIWAWILEEQ-ZCFIWIBFSA-N -1 0 284.131 0.432 20 50 CCGDRM CC[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001595305205 980443583 /nfs/dbraw/zinc/44/35/83/980443583.db2.gz DPUYODFNNDWLLA-VIFPVBQESA-N -1 0 267.241 0.692 20 50 CCGDRM CCCC[C@@H](NNC(=O)C(=O)[O-])C(=O)Nc1cc(C)on1 ZINC001595640319 981961754 /nfs/dbraw/zinc/96/17/54/981961754.db2.gz FAKDFMXBSMUUPS-MRVPVSSYSA-N -1 0 298.299 0.186 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)c2ccccc2)nc1 ZINC000914837009 982660795 /nfs/dbraw/zinc/66/07/95/982660795.db2.gz WJCMNWJEYCWMLB-UHFFFAOYSA-N -1 0 285.259 0.855 20 50 CCGDRM CCC[C@@H](NC(N)=O)C(=O)NNc1ccccc1C(=O)[O-] ZINC001596001510 983257324 /nfs/dbraw/zinc/25/73/24/983257324.db2.gz LOOQXSRALHEFLV-SNVBAGLBSA-N -1 0 294.311 0.665 20 50 CCGDRM CCN(CCO)NC(=O)c1oc(C(=O)[O-])cc1C ZINC001596341127 983791523 /nfs/dbraw/zinc/79/15/23/983791523.db2.gz ZRPAISOOKLLJNQ-UHFFFAOYSA-N -1 0 256.258 0.245 20 50 CCGDRM C=CCNC(=S)NNC(=O)C[C@@H](C)CC(=O)[O-] ZINC001588845442 984362695 /nfs/dbraw/zinc/36/26/95/984362695.db2.gz OIICEOUOTKLEOU-SSDOTTSWSA-N -1 0 259.331 0.169 20 50 CCGDRM CCOC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)C(=O)[O-] ZINC001596536062 984374702 /nfs/dbraw/zinc/37/47/02/984374702.db2.gz ZABKGBRTWQIMFH-JTQLQIEISA-N -1 0 298.270 0.005 20 50 CCGDRM CCO[C@H]1C[C@@H]1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001596845762 985546531 /nfs/dbraw/zinc/54/65/31/985546531.db2.gz DNRLBMBXGMLYFF-IUCAKERBSA-N -1 0 265.269 0.648 20 50 CCGDRM CCO/C=C(\C#N)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001596863767 985656737 /nfs/dbraw/zinc/65/67/37/985656737.db2.gz OEJWEGZIWVOJLZ-CRALRDPISA-N -1 0 268.269 0.180 20 50 CCGDRM Cc1c(C(=O)NNc2ccc(C(=O)[O-])cc2F)nnn1C ZINC001599981961 986175918 /nfs/dbraw/zinc/17/59/18/986175918.db2.gz GLIQXJSYZDKUJZ-UHFFFAOYSA-N -1 0 293.258 0.718 20 50 CCGDRM C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)n1cncn1 ZINC001589424699 986696264 /nfs/dbraw/zinc/69/62/64/986696264.db2.gz ZUBULANKESHUCW-MRVPVSSYSA-N -1 0 275.268 0.681 20 50 CCGDRM C[C@@H]1OC(=O)N[C@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001594631710 986734797 /nfs/dbraw/zinc/73/47/97/986734797.db2.gz IRYDLGXDIUTCLG-SSDLBLMSSA-N -1 0 297.242 0.464 20 50 CCGDRM C[C@@H]1OCC[C@H]1C(=O)NN[C@H](C(=O)[O-])c1ccccc1 ZINC001594644857 986835250 /nfs/dbraw/zinc/83/52/50/986835250.db2.gz OPRXJQFPDBZZEF-WCQGTBRESA-N -1 0 278.308 0.858 20 50 CCGDRM CCOc1cccc(C=NNC(=O)NCC(=O)[O-])n1 ZINC001597149983 986922833 /nfs/dbraw/zinc/92/28/33/986922833.db2.gz NPPPLVIVCFPTDM-UHFFFAOYSA-N -1 0 266.257 0.198 20 50 CCGDRM CCc1oc(C=NNC(=O)[C@@H]2COCCO2)cc1C(=O)[O-] ZINC001597792644 989331981 /nfs/dbraw/zinc/33/19/81/989331981.db2.gz CBYUIPRXXDXNQZ-NSHDSACASA-N -1 0 296.279 0.406 20 50 CCGDRM CC(C)(C)OC(=O)NC[C@H]1CCCC1=NNC(=O)C(=O)[O-] ZINC001590178193 989521511 /nfs/dbraw/zinc/52/15/11/989521511.db2.gz VBDXYHXEHYRMOI-MRVPVSSYSA-N -1 0 299.327 0.868 20 50 CCGDRM CN(C)C(=O)NNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001598140385 990603074 /nfs/dbraw/zinc/60/30/74/990603074.db2.gz RZBHRKJSFHWRST-ZKCHVHJHSA-N -1 0 257.290 0.180 20 50 CCGDRM CN(C)CC(=O)NNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598197319 990806212 /nfs/dbraw/zinc/80/62/12/990806212.db2.gz ZYYIAZOVEJONPF-UHFFFAOYSA-N -1 0 298.274 0.238 20 50 CCGDRM CC(C)[C@@H](CNC(=O)NNC(=O)C(=O)[O-])c1cccnc1 ZINC001590983993 991166070 /nfs/dbraw/zinc/16/60/70/991166070.db2.gz SADTVDOSFXXLJQ-SNVBAGLBSA-N -1 0 294.311 0.236 20 50 CCGDRM C[C@]1(C(=O)N2CC[C@@H]2C(=O)[O-])C[C@H]1Br ZINC001593744887 996370638 /nfs/dbraw/zinc/37/06/38/996370638.db2.gz ACLUWKGFBZIUOX-KCRUCZTKSA-N -1 0 262.103 0.845 20 50 CCGDRM C[C@]1(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCCO1 ZINC001593756207 996406265 /nfs/dbraw/zinc/40/62/65/996406265.db2.gz HLPSWKWHNVJWGP-PKFCDNJMSA-N -1 0 298.339 0.594 20 50 CCGDRM COC[C@@]1(C(=O)NNc2cccc(C(=O)[O-])c2)CCOC1 ZINC001599186257 997030529 /nfs/dbraw/zinc/03/05/29/997030529.db2.gz JXZUIBFRJMMTIY-AWEZNQCLSA-N -1 0 294.307 0.881 20 50 CCGDRM COC[C@@H](OC)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599187870 997061960 /nfs/dbraw/zinc/06/19/60/997061960.db2.gz TVUSVGPANDZKLQ-SNVBAGLBSA-N -1 0 286.259 0.628 20 50 CCGDRM COc1cc(C)ccc1C=NNC(=O)NCC(=O)[O-] ZINC001599393452 997081401 /nfs/dbraw/zinc/08/14/01/997081401.db2.gz CMVUXOUCWODNGH-UHFFFAOYSA-N -1 0 265.269 0.721 20 50 CCGDRM COC(=O)[C@@H]1C[C@@H]1C(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001598900099 997156056 /nfs/dbraw/zinc/15/60/56/997156056.db2.gz MCMOZPHNLWEIPE-WDEREUQCSA-N -1 0 292.291 0.945 20 50 CCGDRM C[C@]1(CNC(=O)NC[C@H](F)C(=O)[O-])C[C@H]1Br ZINC001594020187 997526264 /nfs/dbraw/zinc/52/62/64/997526264.db2.gz OZKAKRHYJYHKFL-CCGCGBOQSA-N -1 0 297.124 0.882 20 50 CCGDRM CO[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)CCl)C(=O)[O-])C1 ZINC001599112353 997592483 /nfs/dbraw/zinc/59/24/83/997592483.db2.gz MAPCBFHDRMKANB-DJLDLDEBSA-N -1 0 299.776 0.761 20 50 CCGDRM COCCN(C)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599231916 997875222 /nfs/dbraw/zinc/87/52/22/997875222.db2.gz 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CN1CC[C@](C)(C(=O)NN=c2[nH]cccc2C(=O)[O-])C1=O ZINC001604203566 972666820 /nfs/dbraw/zinc/66/68/20/972666820.db2.gz WIXZCJAOPQJRTO-CYBMUJFWSA-N -1 0 292.295 0.091 20 50 CCGDRM O=C([O-])[C@@]1(C(=O)NNc2cc[nH+]cc2)CC=CCC1 ZINC001605935832 972876628 /nfs/dbraw/zinc/87/66/28/972876628.db2.gz UKXKQHWZLCBARC-ZDUSSCGKSA-N -1 0 261.281 0.758 20 50 CCGDRM O=C([O-])C1(C(=O)NN=c2[nH]ccnc2Cl)CCC1 ZINC001605935759 972876908 /nfs/dbraw/zinc/87/69/08/972876908.db2.gz SEUBKKLKOAATSD-UHFFFAOYSA-N -1 0 270.676 0.828 20 50 CCGDRM Cc1cccc(C(=O)NN=Cc2cc(C(=O)[O-])nn2C)n1 ZINC001605320544 973155218 /nfs/dbraw/zinc/15/52/18/973155218.db2.gz OXKUQXPTJDYZLZ-UHFFFAOYSA-N -1 0 287.279 0.586 20 50 CCGDRM O=C([O-])/C=C\c1cc(C(=O)NNC(=O)C2CCC2)co1 ZINC001606064637 973203097 /nfs/dbraw/zinc/20/30/97/973203097.db2.gz OFJLTGFJEOFANT-PLNGDYQASA-N -1 0 278.264 0.939 20 50 CCGDRM Cc1cn(C)nc1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001605367201 973307308 /nfs/dbraw/zinc/30/73/08/973307308.db2.gz RZCXADGQANCSRK-UHFFFAOYSA-N -1 0 275.268 0.579 20 50 CCGDRM Cc1nc(Cl)cc(NNC(=O)c2cc(C(=O)[O-])n[nH]2)n1 ZINC001605408071 973402743 /nfs/dbraw/zinc/40/27/43/973402743.db2.gz GNPDMOJHQLEKLQ-UHFFFAOYSA-N -1 0 296.674 0.617 20 50 CCGDRM Cn1nncc1NNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001605576199 973845271 /nfs/dbraw/zinc/84/52/71/973845271.db2.gz JVYWOOOXTVEVQW-VIFPVBQESA-N -1 0 267.289 0.149 20 50 CCGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001604700312 973898134 /nfs/dbraw/zinc/89/81/34/973898134.db2.gz IPODMWPTYQSCOL-JGVFFNPUSA-N -1 0 280.284 0.348 20 50 CCGDRM O=C([O-])c1ccc(C(=O)NNc2cccnn2)nc1 ZINC001606478972 973960412 /nfs/dbraw/zinc/96/04/12/973960412.db2.gz ZUWIAJQQIUAJHB-UHFFFAOYSA-N -1 0 259.225 0.327 20 50 CCGDRM CCO[C@H]1C[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603827324 974324779 /nfs/dbraw/zinc/32/47/79/974324779.db2.gz CHDZEUABQHSOBZ-BDAKNGLRSA-N -1 0 265.269 0.648 20 50 CCGDRM CCO/C=C(\C#N)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603829639 974331324 /nfs/dbraw/zinc/33/13/24/974331324.db2.gz VQDARBGZMJAHHG-PCYIOHOOSA-N -1 0 266.297 1.000 20 50 CCGDRM CC(C)NC(=S)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001591661203 975401969 /nfs/dbraw/zinc/40/19/69/975401969.db2.gz WXJLIBUMODLFIX-DTWKUNHWSA-N -1 0 287.385 0.781 20 50 CCGDRM CC(C)Oc1ccc(NC(=S)NNC(=O)C(=O)[O-])cc1 ZINC001591788807 975976841 /nfs/dbraw/zinc/97/68/41/975976841.db2.gz VRSQATIYPCOCOO-UHFFFAOYSA-N -1 0 297.336 0.876 20 50 CCGDRM C[C@@H](CBr)CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC001592213625 977274317 /nfs/dbraw/zinc/27/43/17/977274317.db2.gz YZBYQLRRCCDRSK-JGVFFNPUSA-N -1 0 293.161 0.293 20 50 CCGDRM C[C@H](/C=C/C(=O)[O-])NS(=O)(=O)CBr ZINC001592215673 977275221 /nfs/dbraw/zinc/27/52/21/977275221.db2.gz BAGUGDQPIPMTGP-WVSAJJKCSA-N -1 0 272.120 0.288 20 50 CCGDRM C[C@H](CC(=O)[O-])CC(=O)NNC(=O)c1ccoc1 ZINC001592392005 977940554 /nfs/dbraw/zinc/94/05/54/977940554.db2.gz UCVRXRLYUWBEDA-ZETCQYMHSA-N -1 0 254.242 0.542 20 50 CCGDRM C[C@H](CC(N)=O)C(=O)NNc1cccc(C(=O)[O-])c1F ZINC001592452863 978148499 /nfs/dbraw/zinc/14/84/99/978148499.db2.gz QRCJXGHRVXHCHB-ZCFIWIBFSA-N -1 0 283.259 0.479 20 50 CCGDRM CCc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000737256518 978392295 /nfs/dbraw/zinc/39/22/95/978392295.db2.gz PWXHIMJCRBLFPS-WDEREUQCSA-N -1 0 276.292 0.731 20 50 CCGDRM CN(CC(=O)NNC(=O)CCc1ccccc1O)C(=O)[O-] ZINC000737393131 978403630 /nfs/dbraw/zinc/40/36/30/978403630.db2.gz GQNGJMYMETYNRL-UHFFFAOYSA-N -1 0 295.295 0.082 20 50 CCGDRM CN(CCCC(=O)NNC(=O)c1ccncc1)C(=O)[O-] ZINC000737426289 978406221 /nfs/dbraw/zinc/40/62/21/978406221.db2.gz BRYCZQPHVKHAFW-UHFFFAOYSA-N -1 0 280.284 0.233 20 50 CCGDRM CN(CCCC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000737426892 978406949 /nfs/dbraw/zinc/40/69/49/978406949.db2.gz JVSIZSDNCPXPAE-UHFFFAOYSA-N -1 0 259.306 0.570 20 50 CCGDRM COc1ccccc1C(=O)NNC(=O)CN(C)C(=O)[O-] ZINC000738115629 978480557 /nfs/dbraw/zinc/48/05/57/978480557.db2.gz MECFGSFVOQEDPL-UHFFFAOYSA-N -1 0 281.268 0.066 20 50 CCGDRM Cc1cc(=NNC(=O)CCNC(=O)[O-])nc(C)[nH]1 ZINC000738238694 978505844 /nfs/dbraw/zinc/50/58/44/978505844.db2.gz AKFWQPOZNKGVBJ-UHFFFAOYSA-N -1 0 253.262 0.194 20 50 CCGDRM Cn1cc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000738406532 978535038 /nfs/dbraw/zinc/53/50/38/978535038.db2.gz RZNAVMZJYWXBFT-NSHDSACASA-N -1 0 274.280 0.480 20 50 CCGDRM Cc1ccc(NCC(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000738632782 978577360 /nfs/dbraw/zinc/57/73/60/978577360.db2.gz MCLLIALDOFEDIA-MNOVXSKESA-N -1 0 291.307 0.275 20 50 CCGDRM Cn1c2ccccc2sc1=NNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738996887 978612123 /nfs/dbraw/zinc/61/21/23/978612123.db2.gz DAOJDMPVGGTZKC-SFYZADRCSA-N -1 0 291.332 0.892 20 50 CCGDRM CC[C@@H](C(=O)NNC(=O)[C@H](C)NC(=O)[O-])c1ccccc1 ZINC000739215172 978620767 /nfs/dbraw/zinc/62/07/67/978620767.db2.gz VHMUWHOAWVBJOC-GXSJLCMTSA-N -1 0 293.323 0.984 20 50 CCGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc2cccnc21 ZINC000739454354 978639517 /nfs/dbraw/zinc/63/95/17/978639517.db2.gz RDYLSGCZOFYAJA-WDEREUQCSA-N -1 0 299.286 0.717 20 50 CCGDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccccc1F ZINC000739454112 978639663 /nfs/dbraw/zinc/63/96/63/978639663.db2.gz QJASLILUYONJSQ-JGVFFNPUSA-N -1 0 266.228 0.307 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000739545963 978643827 /nfs/dbraw/zinc/64/38/27/978643827.db2.gz CRGMJKZIHXJLIY-HRFVKAFMSA-N -1 0 293.176 0.802 20 50 CCGDRM O=C([O-])NCCC(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000739937604 978659024 /nfs/dbraw/zinc/65/90/24/978659024.db2.gz BHXGDLLOKCFRKU-UHFFFAOYSA-N -1 0 283.259 0.173 20 50 CCGDRM O=C([O-])NCCC(=O)NNc1ccccc1[N+](=O)[O-] ZINC000739938158 978659441 /nfs/dbraw/zinc/65/94/41/978659441.db2.gz NMVVEWQSISTZAF-UHFFFAOYSA-N -1 0 268.229 0.696 20 50 CCGDRM C[C@H](Oc1ccc(C=NN(C)C(N)=O)cc1)C(=O)[O-] ZINC000794922680 978830173 /nfs/dbraw/zinc/83/01/73/978830173.db2.gz LLVLPZJWNMOAHF-QMMMGPOBSA-N -1 0 265.269 0.883 20 50 CCGDRM O=C([O-])CCCNC(=O)NNc1nc2ccccn2n1 ZINC000831052563 979025471 /nfs/dbraw/zinc/02/54/71/979025471.db2.gz YYNUOQUVFBYRFC-UHFFFAOYSA-N -1 0 278.272 0.220 20 50 CCGDRM O=C([O-])COCC(=O)NN=c1ccc2ccccc2[nH]1 ZINC001595106862 979437335 /nfs/dbraw/zinc/43/73/35/979437335.db2.gz AHCNGIBQTBHUED-UHFFFAOYSA-N -1 0 275.264 0.779 20 50 CCGDRM CC[C@@H](NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001595305262 980444552 /nfs/dbraw/zinc/44/45/52/980444552.db2.gz GHURGOAGZXTQPL-MRVPVSSYSA-N -1 0 297.267 0.458 20 50 CCGDRM CC[C@@H]1C[C@@H](C=NNC(=O)NCC(=O)[O-])CCO1 ZINC001595409571 981008410 /nfs/dbraw/zinc/00/84/10/981008410.db2.gz ZNPWRWDBXGWUBN-DTWKUNHWSA-N -1 0 257.290 0.561 20 50 CCGDRM CCCC[C@H](NNC(=O)c1ncccn1)C(=O)[O-] ZINC001595641070 981966250 /nfs/dbraw/zinc/96/62/50/981966250.db2.gz PSUSPZJJDNSVNU-QMMMGPOBSA-N -1 0 252.274 0.354 20 50 CCGDRM C#CCO[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001588490358 983532184 /nfs/dbraw/zinc/53/21/84/983532184.db2.gz LRHLJHNWVYLEGG-VIFPVBQESA-N -1 0 262.265 0.866 20 50 CCGDRM CCN(CCO)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001596340601 983788151 /nfs/dbraw/zinc/78/81/51/983788151.db2.gz HUSZDWZYGWCMNG-WFASDCNBSA-N -1 0 292.335 0.590 20 50 CCGDRM C=CC[C@@H](NNC(=O)c1ccccc1OC)C(=O)[O-] ZINC001588748898 984062313 /nfs/dbraw/zinc/06/23/13/984062313.db2.gz ARZPYMXYYSFIFB-SNVBAGLBSA-N -1 0 264.281 0.959 20 50 CCGDRM C=CCNC(=S)NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001588845540 984363834 /nfs/dbraw/zinc/36/38/34/984363834.db2.gz VJJJYIHWGPCGRH-IUCAKERBSA-N -1 0 285.369 0.559 20 50 CCGDRM CCOC(=O)C[C@@H](O)C(=O)NNc1ccccc1C(=O)[O-] ZINC001596593754 984535716 /nfs/dbraw/zinc/53/57/16/984535716.db2.gz AJXMUYAFQQZCEO-SNVBAGLBSA-N -1 0 296.279 0.142 20 50 CCGDRM C/C(=C/CNC(=O)/C(C#N)=C/c1cnn(C)c1)C(=O)[O-] ZINC001588960937 984731295 /nfs/dbraw/zinc/73/12/95/984731295.db2.gz AGYVMVNBPGVQPD-SNCNKDRDSA-N -1 0 274.280 0.474 20 50 CCGDRM C[C@H]1CC[C@@H](C(=O)NNC(=O)c2ccc(C(=O)[O-])cc2)O1 ZINC001599906863 984934436 /nfs/dbraw/zinc/93/44/36/984934436.db2.gz PTCMIHVTQPDFJZ-KWQFWETISA-N -1 0 292.291 0.713 20 50 CCGDRM CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC001596768879 985191050 /nfs/dbraw/zinc/19/10/50/985191050.db2.gz WOBWHIAOYVKBTM-QMMMGPOBSA-N -1 0 290.316 0.034 20 50 CCGDRM C[C@H]1c2ccccc2C[C@H]1NC(=O)NNC(=O)C(=O)[O-] ZINC001599937258 985411005 /nfs/dbraw/zinc/41/10/05/985411005.db2.gz SRKNKVCHTSTJHV-OIBJUYFYSA-N -1 0 277.280 0.130 20 50 CCGDRM CCO/C=C(/C#N)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001596861129 985632279 /nfs/dbraw/zinc/63/22/79/985632279.db2.gz CLKLKORNDSBCQX-WXSHZEGDSA-N -1 0 274.223 0.512 20 50 CCGDRM CCO/C=C(\C#N)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001596865118 985678289 /nfs/dbraw/zinc/67/82/89/985678289.db2.gz ZQDQPRMHVSXHGT-VOTSOKGWSA-N -1 0 264.241 0.501 20 50 CCGDRM CCOc1ccc(C(=O)NNC(=O)CC(=O)[O-])cc1OC ZINC001597062521 986557120 /nfs/dbraw/zinc/55/71/20/986557120.db2.gz OUWSOPAIUHUONH-UHFFFAOYSA-N -1 0 296.279 0.330 20 50 CCGDRM CCC(=O)NNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594712494 987177183 /nfs/dbraw/zinc/17/71/83/987177183.db2.gz OSZJSERXWQLIPT-UHFFFAOYSA-N -1 0 266.257 0.271 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC001589693367 987765021 /nfs/dbraw/zinc/76/50/21/987765021.db2.gz IZXQMBLREZAZLU-ZDUSSCGKSA-N -1 0 285.344 0.119 20 50 CCGDRM C[C@@H]1CN(C(=O)/C(C#N)=C/c2cnn(C)c2)C[C@H]1C(=O)[O-] ZINC001599851614 989022229 /nfs/dbraw/zinc/02/22/29/989022229.db2.gz DZLVNIVZIVRNHE-CSKLRRNESA-N -1 0 288.307 0.506 20 50 CCGDRM CC(C)(C)c1ncc(C=NNC(=O)C(=O)[O-])s1 ZINC001590555909 990193765 /nfs/dbraw/zinc/19/37/65/990193765.db2.gz CPPLGQXKAHXEFO-UHFFFAOYSA-N -1 0 255.299 0.975 20 50 CCGDRM CC(C)(CC=NNC(=O)c1ncccn1)C(=O)[O-] ZINC001590654918 990349756 /nfs/dbraw/zinc/34/97/56/990349756.db2.gz YZYDADJYLNNZJX-UHFFFAOYSA-N -1 0 250.258 0.693 20 50 CCGDRM COc1ccccc1NNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001599715687 991450588 /nfs/dbraw/zinc/45/05/88/991450588.db2.gz LHJUXHLPIXNTQM-UHFFFAOYSA-N -1 0 290.279 0.733 20 50 CCGDRM CC(C)CC(=O)NNC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591111849 991773451 /nfs/dbraw/zinc/77/34/51/991773451.db2.gz 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/nfs/dbraw/zinc/87/84/66/972878466.db2.gz YNZXFYHZIMKGNF-UHFFFAOYSA-N -1 0 285.369 0.537 20 50 CCGDRM COC(=O)c1c(F)cccc1NNC(=O)[C@H](C)C(=O)[O-] ZINC001604365904 973062504 /nfs/dbraw/zinc/06/25/04/973062504.db2.gz HBVGMEDKVXUNGH-LURJTMIESA-N -1 0 284.243 0.776 20 50 CCGDRM O=C([O-])CCC(=O)NNC(=O)CNc1ccccc1 ZINC001606101822 973279962 /nfs/dbraw/zinc/27/99/62/973279962.db2.gz PSQVNIOQCCRDIZ-UHFFFAOYSA-N -1 0 265.269 0.111 20 50 CCGDRM CO[C@](C)(C(=O)[O-])C(=O)NNc1ncncc1Cl ZINC001604464649 973339633 /nfs/dbraw/zinc/33/96/33/973339633.db2.gz YHVKDYJLKYCGFJ-VIFPVBQESA-N -1 0 274.664 0.063 20 50 CCGDRM Cc1nonc1CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001605455365 973542933 /nfs/dbraw/zinc/54/29/33/973542933.db2.gz NHWBSOGTLDGACJ-UHFFFAOYSA-N -1 0 277.240 0.157 20 50 CCGDRM COCCN(CC(=O)[O-])C(=O)[C@@]1(C)C[C@@H]1Br ZINC001604584706 973678050 /nfs/dbraw/zinc/67/80/50/973678050.db2.gz ZRKCNFGPGKVAGU-XVKPBYJWSA-N -1 0 294.145 0.720 20 50 CCGDRM O=C([O-])Cn1cc(C(=O)NNc2c(F)cccc2F)nn1 ZINC001606330995 973760658 /nfs/dbraw/zinc/76/06/58/973760658.db2.gz LYXWWDCUYUNZOJ-UHFFFAOYSA-N -1 0 297.221 0.398 20 50 CCGDRM O=C([O-])Cn1cccc1C=NNC(=O)c1ccccn1 ZINC001606354014 973800522 /nfs/dbraw/zinc/80/05/22/973800522.db2.gz OCGOKMPFRUMKHU-UHFFFAOYSA-N -1 0 272.264 0.732 20 50 CCGDRM N#C/C(=C/C1CC1)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001605575827 973840472 /nfs/dbraw/zinc/84/04/72/973840472.db2.gz CSLPGRNVLKHSAW-HYHWUIIZSA-N -1 0 278.264 0.075 20 50 CCGDRM N#Cc1ccc(NNC(=O)NCCCC(=O)[O-])nc1 ZINC001605612220 973923750 /nfs/dbraw/zinc/92/37/50/973923750.db2.gz HPORAQOLBXBEGK-UHFFFAOYSA-N -1 0 263.257 0.444 20 50 CCGDRM CCCCNC(=O)NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001603648784 974009980 /nfs/dbraw/zinc/00/99/80/974009980.db2.gz NVPQSMWOCZYIDW-UHFFFAOYSA-N -1 0 271.317 0.762 20 50 CCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001606528852 974039794 /nfs/dbraw/zinc/03/97/94/974039794.db2.gz SDAFKYGCDSUHAF-XXFSISAASA-N -1 0 289.291 0.646 20 50 CCGDRM CCO[C@H](C)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603824482 974317244 /nfs/dbraw/zinc/31/72/44/974317244.db2.gz RZYXXCNPNAOOLF-SSDOTTSWSA-N -1 0 253.258 0.648 20 50 CCGDRM CC(C)(NC(=O)[O-])C(=O)NNC(=O)NC1CCCC1 ZINC000736337073 978321021 /nfs/dbraw/zinc/32/10/21/978321021.db2.gz MFPODPALQUHPHF-UHFFFAOYSA-N -1 0 272.305 0.306 20 50 CCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)Cc1ccsc1 ZINC000736375434 978326868 /nfs/dbraw/zinc/32/68/68/978326868.db2.gz PDQVULZBWMGGGQ-JTQLQIEISA-N -1 0 299.352 0.730 20 50 CCGDRM CC(C)CC(=O)NNC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736401803 978330330 /nfs/dbraw/zinc/33/03/30/978330330.db2.gz MCBPRCSVQRIZCN-SECBINFHSA-N -1 0 286.332 0.505 20 50 CCGDRM CN(CCCC(=O)NNC(=O)c1ccccc1F)C(=O)[O-] ZINC000737427773 978408769 /nfs/dbraw/zinc/40/87/69/978408769.db2.gz YKBYBOXVFNYCJT-UHFFFAOYSA-N -1 0 297.286 0.977 20 50 CCGDRM COc1cc(C=NNC(=O)[O-])cc(OC)c1OCC(N)=O ZINC000737879778 978453060 /nfs/dbraw/zinc/45/30/60/978453060.db2.gz UOZWCPRINUVOQC-UHFFFAOYSA-N -1 0 297.267 0.169 20 50 CCGDRM Cc1cccc(OCC(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000738733670 978597296 /nfs/dbraw/zinc/59/72/96/978597296.db2.gz BENOSABZTVQDDU-WDEREUQCSA-N -1 0 292.291 0.242 20 50 CCGDRM Cn1c2ccccc2sc1=NNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738996882 978612019 /nfs/dbraw/zinc/61/20/19/978612019.db2.gz DAOJDMPVGGTZKC-HTQZYQBOSA-N -1 0 291.332 0.892 20 50 CCGDRM N#Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000739132989 978618899 /nfs/dbraw/zinc/61/88/99/978618899.db2.gz XVVGIUUBAAZKMJ-UWVGGRQHSA-N -1 0 273.248 0.040 20 50 CCGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)NCCc1cccs1 ZINC000739432237 978635165 /nfs/dbraw/zinc/63/51/65/978635165.db2.gz KQXCWVMXDPBJGV-RKDXNWHRSA-N -1 0 297.336 0.342 20 50 CCGDRM CN(N=Cc1ccc(OCC(=O)[O-])cc1)C(N)=O ZINC000767903690 978736984 /nfs/dbraw/zinc/73/69/84/978736984.db2.gz GPCWJNWVQCUDGM-UHFFFAOYSA-N -1 0 251.242 0.494 20 50 CCGDRM CC(C)(C)CC(=O)NN=Cc1cn(CC(=O)[O-])nn1 ZINC000768485605 978738444 /nfs/dbraw/zinc/73/84/44/978738444.db2.gz TWHGCURELOYGLC-UHFFFAOYSA-N -1 0 267.289 0.249 20 50 CCGDRM CC(=NNC(=O)C(=O)NC1CC1)c1cc(C(=O)[O-])cs1 ZINC000814777753 978883973 /nfs/dbraw/zinc/88/39/73/978883973.db2.gz GIAXNCUPNVYYJR-UHFFFAOYSA-N -1 0 295.320 0.565 20 50 CCGDRM CN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)CCl ZINC000864493293 979936315 /nfs/dbraw/zinc/93/63/15/979936315.db2.gz WAXQLSRYCATOHY-UHFFFAOYSA-N -1 0 271.766 0.988 20 50 CCGDRM CC[C@@H](NNC(=O)c1cccc(Cl)n1)C(=O)[O-] ZINC001595304974 980442036 /nfs/dbraw/zinc/44/20/36/980442036.db2.gz CJLRNVFMIWCFKO-ZCFIWIBFSA-N -1 0 257.677 0.833 20 50 CCGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)c1cccc(C)n1 ZINC001594756092 981671496 /nfs/dbraw/zinc/67/14/96/981671496.db2.gz XBOPXGYFSZLSTH-QMMMGPOBSA-N -1 0 265.269 0.262 20 50 CCGDRM CCCC[C@@H](NNC(=O)CNC(=O)c1ccco1)C(=O)[O-] ZINC001595640236 981961932 /nfs/dbraw/zinc/96/19/32/981961932.db2.gz CBTSVLDZJLNWHE-SECBINFHSA-N -1 0 297.311 0.274 20 50 CCGDRM CCCNC(=O)CCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001595919986 983027590 /nfs/dbraw/zinc/02/75/90/983027590.db2.gz GCKMUBPMWIKWIF-UHFFFAOYSA-N -1 0 294.311 0.529 20 50 CCGDRM CCCNC(=O)NNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595926227 983050026 /nfs/dbraw/zinc/05/00/26/983050026.db2.gz YITAEQNLQLGFEX-UHFFFAOYSA-N -1 0 283.328 0.762 20 50 CCGDRM CCCn1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)nn1 ZINC001596112329 983441550 /nfs/dbraw/zinc/44/15/50/983441550.db2.gz VYDHAPIULGLZKI-UHFFFAOYSA-N -1 0 290.283 0.538 20 50 CCGDRM C=C[C@H](NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC001588701288 983913227 /nfs/dbraw/zinc/91/32/27/983913227.db2.gz PIGGMMRLOMHNIL-KCJUWKMLSA-N -1 0 282.271 0.853 20 50 CCGDRM C=CC[C@@H](NNC(=O)CNC(=O)c1cccs1)C(=O)[O-] ZINC001588750030 984069434 /nfs/dbraw/zinc/06/94/34/984069434.db2.gz RVHMPTZHRTYHQK-MRVPVSSYSA-N -1 0 297.336 0.128 20 50 CCGDRM CCOC(=O)C(C#N)=CN[C@H](CCOC)C(=O)[O-] ZINC001596509494 984271431 /nfs/dbraw/zinc/27/14/31/984271431.db2.gz OFZIVXLOZNEMHX-FCZSHJHJSA-N -1 0 256.258 0.036 20 50 CCGDRM CCOC(=O)CC(=O)NNc1ccccc1C(=O)[O-] ZINC001596586940 984518381 /nfs/dbraw/zinc/51/83/81/984518381.db2.gz MOSIGBYLYMEJER-UHFFFAOYSA-N -1 0 266.253 0.781 20 50 CCGDRM C[C@H](NC(=O)NNC(=O)C(=O)[O-])c1ccc(F)cc1F ZINC001599894001 984729869 /nfs/dbraw/zinc/72/98/69/984729869.db2.gz JEONZFSPHKAICD-YFKPBYRVSA-N -1 0 287.222 0.441 20 50 CCGDRM CCO/C=C(\C#N)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001596860608 985627070 /nfs/dbraw/zinc/62/70/70/985627070.db2.gz AWFDBZHQCDLACX-ACMYFRETSA-N -1 0 252.270 0.800 20 50 CCGDRM CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001596864470 985666679 /nfs/dbraw/zinc/66/66/79/985666679.db2.gz SVRHUKOCCUCOTO-UCQJPZFISA-N -1 0 289.291 0.637 20 50 CCGDRM CC(=O)c1ccc(NC(=S)NNC(=O)C(=O)[O-])cc1 ZINC001589290600 986027513 /nfs/dbraw/zinc/02/75/13/986027513.db2.gz UQARNENHNWGOFT-UHFFFAOYSA-N -1 0 281.293 0.291 20 50 CCGDRM C[C@@H]1OCC[C@@H]1C(=O)NN=Cc1cc(C(=O)[O-])n(C)c1 ZINC001594643820 986827019 /nfs/dbraw/zinc/82/70/19/986827019.db2.gz YFTHJZLROQSGNQ-WPRPVWTQSA-N -1 0 279.296 0.598 20 50 CCGDRM C[C@@H]1OCC[C@@H]1C(=O)NN[C@@H](C(=O)[O-])c1ccsc1 ZINC001594645928 986840374 /nfs/dbraw/zinc/84/03/74/986840374.db2.gz UUEHWCJSOQYSBI-UJNFCWOMSA-N -1 0 284.337 0.920 20 50 CCGDRM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1ccsc1C(=O)[O-] ZINC001594646250 986844418 /nfs/dbraw/zinc/84/44/18/986844418.db2.gz XLHZXHKLCNRGOJ-RQJHMYQMSA-N -1 0 298.320 0.632 20 50 CCGDRM CCC(=O)NNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001594712592 987178013 /nfs/dbraw/zinc/17/80/13/987178013.db2.gz UBWZLNGPMIZMHQ-UHFFFAOYSA-N -1 0 291.267 0.824 20 50 CCGDRM CC[C@@H](C(=O)NNC(=O)COCC(=O)[O-])c1ccccc1 ZINC001594737373 987280462 /nfs/dbraw/zinc/28/04/62/987280462.db2.gz UMMIDUNXGQTYQX-LLVKDONJSA-N -1 0 294.307 0.429 20 50 CCGDRM CC(C)(C)OC(=O)NC[C@@H]1CCCC1=NNC(=O)C(=O)[O-] ZINC001590178194 989521810 /nfs/dbraw/zinc/52/18/10/989521810.db2.gz VBDXYHXEHYRMOI-QMMMGPOBSA-N -1 0 299.327 0.868 20 50 CCGDRM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)CC1CC1 ZINC001590635574 990324001 /nfs/dbraw/zinc/32/40/01/990324001.db2.gz ZBLSQLFVJWWWMQ-UHFFFAOYSA-N -1 0 256.302 0.825 20 50 CCGDRM CC(C)(CC=NNC(=O)CNC(=O)c1ccco1)C(=O)[O-] ZINC001590654536 990346992 /nfs/dbraw/zinc/34/69/92/990346992.db2.gz OSGNWBGPJGTMSG-UHFFFAOYSA-N -1 0 295.295 0.612 20 50 CCGDRM CC(C)(CNC(=O)NNC(=O)c1ccc[nH]1)CC(=O)[O-] ZINC001590726619 990519675 /nfs/dbraw/zinc/51/96/75/990519675.db2.gz PRUJWCIHFOGLDN-UHFFFAOYSA-N -1 0 282.300 0.460 20 50 CCGDRM CC(C)(CO)C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590778949 990584747 /nfs/dbraw/zinc/58/47/47/990584747.db2.gz HKFAUYSGYYZTNH-UHFFFAOYSA-N -1 0 266.297 0.775 20 50 CCGDRM CN(C)C(=O)NNC(=O)c1ccccc1C(=O)[O-] ZINC001598140308 990602166 /nfs/dbraw/zinc/60/21/66/990602166.db2.gz PZPVYWHBVPONKY-UHFFFAOYSA-N -1 0 251.242 0.301 20 50 CCGDRM CC(C)CCC(=O)NNC(=O)NC[C@H](F)C(=O)[O-] ZINC001591213897 992068099 /nfs/dbraw/zinc/06/80/99/992068099.db2.gz IIXBNSVZMMWABY-ZETCQYMHSA-N -1 0 263.269 0.176 20 50 CCGDRM C[S@@](=O)CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001599776010 992303821 /nfs/dbraw/zinc/30/38/21/992303821.db2.gz DRBXZCWZTBSFLO-LJQANCHMSA-N -1 0 285.325 0.389 20 50 CCGDRM CN(NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(N)=O ZINC001598541498 992906259 /nfs/dbraw/zinc/90/62/59/992906259.db2.gz PAEKMHRHXCJWHI-UHFFFAOYSA-N -1 0 255.205 0.179 20 50 CCGDRM CNC(=O)NN=Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001598651592 994452224 /nfs/dbraw/zinc/45/22/24/994452224.db2.gz ZIMPVFQBJWGONJ-MRVPVSSYSA-N -1 0 265.269 0.801 20 50 CCGDRM C[C@H](NNC(=O)Cc1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC001593319260 994844255 /nfs/dbraw/zinc/84/42/55/994844255.db2.gz OAUSJNGHWHLZNF-LURJTMIESA-N -1 0 291.229 0.894 20 50 CCGDRM C[C@@H](NNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(F)(F)F ZINC001593320007 994852043 /nfs/dbraw/zinc/85/20/43/994852043.db2.gz RYKKFIRYUFEPAI-GJMOJQLCSA-N -1 0 298.261 0.970 20 50 CCGDRM C[C@]1(C(=O)NNc2cccc(C(=O)[O-])c2)CCC(=O)NC1 ZINC001593754765 996399249 /nfs/dbraw/zinc/39/92/49/996399249.db2.gz AICZKXQVUIGFCO-AWEZNQCLSA-N -1 0 291.307 0.744 20 50 CCGDRM COC(=O)N(C)NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598875694 996761169 /nfs/dbraw/zinc/76/11/69/996761169.db2.gz JSZVDISVUSFXPK-JGVFFNPUSA-N -1 0 294.329 0.162 20 50 CCGDRM COC(=O)NC(C)(C)C(=O)NNc1ccccc1C(=O)[O-] ZINC001598882541 996836356 /nfs/dbraw/zinc/83/63/56/996836356.db2.gz XRMRSAKZDOQQJV-UHFFFAOYSA-N -1 0 295.295 0.963 20 50 CCGDRM CO[C@H]1CCCC(=NNC(=O)NCC(=O)[O-])CC1 ZINC001599104005 997441337 /nfs/dbraw/zinc/44/13/37/997441337.db2.gz RXQKYEQZMIWBBF-VIFPVBQESA-N -1 0 257.290 0.705 20 50 CCGDRM COCCN(C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599231542 997867501 /nfs/dbraw/zinc/86/75/01/997867501.db2.gz BYDIBCYULLBMGM-ZJUUUORDSA-N -1 0 258.318 0.487 20 50 CCGDRM COCC(=O)NNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599142705 998159961 /nfs/dbraw/zinc/15/99/61/998159961.db2.gz HBXOTOJEBMGXNM-UHFFFAOYSA-N -1 0 285.231 0.323 20 50 CCGDRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)CCCCl ZINC001594170686 998655481 /nfs/dbraw/zinc/65/54/81/998655481.db2.gz JWPFNKJPNYGIJN-YUMQZZPRSA-N -1 0 269.750 0.740 20 50 CCGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)NCC2CC2)C1 ZINC000833140202 600912777 /nfs/dbraw/zinc/91/27/77/600912777.db2.gz OCUVKGDDYHVDER-UWVGGRQHSA-N -1 0 283.328 0.618 20 50 CCGDRM O=C([O-])c1cn(CC(=O)NNc2ccc(F)cc2)nn1 ZINC000833120726 601274291 /nfs/dbraw/zinc/27/42/91/601274291.db2.gz AZVZLDKQEWFSPB-UHFFFAOYSA-N -1 0 279.231 0.259 20 50 CCGDRM CCN(CC)c1cc[nH]c(=NNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000829687240 601913554 /nfs/dbraw/zinc/91/35/54/601913554.db2.gz IWVPGLMFVQUTKF-DTWKUNHWSA-N -1 0 293.327 0.487 20 50 CCGDRM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)Cc1ccsc1 ZINC000827304183 602163586 /nfs/dbraw/zinc/16/35/86/602163586.db2.gz QNLOCUWTYYGJMG-ZETCQYMHSA-N -1 0 270.310 0.549 20 50 CCGDRM C[C@@H](CC(=O)[O-])C(=O)NN=c1[nH]ccnc1Cl ZINC000827303967 602298698 /nfs/dbraw/zinc/29/86/98/602298698.db2.gz MSGZXBBNQUDFBC-YFKPBYRVSA-N -1 0 258.665 0.684 20 50 CCGDRM COCC(=O)NN=Cc1cc(C(=O)[O-])ccc1O ZINC000831541138 602301129 /nfs/dbraw/zinc/30/11/29/602301129.db2.gz 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CNC(=O)COc1ccc(NC(=O)NNC(=O)[O-])cc1 ZINC000737540917 978415581 /nfs/dbraw/zinc/41/55/81/978415581.db2.gz QXPWUJBNQCPCCT-UHFFFAOYSA-N -1 0 282.256 0.116 20 50 CCGDRM O=C([O-])NCC(=O)NNc1cc(F)c(F)cc1F ZINC000738651412 978581019 /nfs/dbraw/zinc/58/10/19/978581019.db2.gz CORNXXWEAMJKPL-UHFFFAOYSA-N -1 0 263.175 0.815 20 50 CCGDRM O=C([O-])NNS(=O)(=O)N1CCc2ccccc2C1 ZINC000738662081 978584494 /nfs/dbraw/zinc/58/44/94/978584494.db2.gz RGGTZACPWCNWTN-UHFFFAOYSA-N -1 0 271.298 0.062 20 50 CCGDRM Cc1nnnn1-c1cc(NC(=O)NNC(=O)[O-])ccc1F ZINC000738936582 978610036 /nfs/dbraw/zinc/61/00/36/978610036.db2.gz JWDIRFJQWIINBY-UHFFFAOYSA-N -1 0 295.234 0.414 20 50 CCGDRM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)COc1ccccc1F ZINC000739337770 978629726 /nfs/dbraw/zinc/62/97/26/978629726.db2.gz VQXCOZXQDDSSFB-HTQZYQBOSA-N -1 0 296.254 0.073 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000739455334 978641398 /nfs/dbraw/zinc/64/13/98/978641398.db2.gz YTDNREVRNRBZPX-YUMQZZPRSA-N -1 0 294.332 0.719 20 50 CCGDRM O=C([O-])CSCCNC(=O)NN=c1cccc[nH]1 ZINC000739862922 978656980 /nfs/dbraw/zinc/65/69/80/978656980.db2.gz MBLIMQHLFCBMDQ-UHFFFAOYSA-N -1 0 270.314 0.526 20 50 CCGDRM O=C([O-])CSCCNC(=O)NNC(=O)c1ccccc1 ZINC000739862935 978657309 /nfs/dbraw/zinc/65/73/09/978657309.db2.gz NVXNLGDAYAEDGB-UHFFFAOYSA-N -1 0 297.336 0.448 20 50 CCGDRM O=C([O-])NCCCC(=O)NNC(=O)C1CCCC1 ZINC000739957784 978660683 /nfs/dbraw/zinc/66/06/83/978660683.db2.gz ZJAOJVPJRYRHID-UHFFFAOYSA-N -1 0 257.290 0.372 20 50 CCGDRM O=C([O-])NCCCC(=O)NN=c1[nH]ccnc1Cl ZINC000739957259 978660778 /nfs/dbraw/zinc/66/07/78/978660778.db2.gz ORLBCMRTHKVPND-UHFFFAOYSA-N -1 0 273.680 0.621 20 50 CCGDRM C[C@H](Oc1ccc(/C=C(/C#N)S(N)(=O)=O)cc1)C(=O)[O-] ZINC000794712655 978817575 /nfs/dbraw/zinc/81/75/75/978817575.db2.gz JUSONMVRRGACNL-OITNDJBGSA-N -1 0 296.304 0.691 20 50 CCGDRM C[C@H](Oc1ccc(/C=C(\C#N)S(N)(=O)=O)cc1)C(=O)[O-] ZINC000794712651 978817608 /nfs/dbraw/zinc/81/76/08/978817608.db2.gz JUSONMVRRGACNL-KIFNTFBYSA-N -1 0 296.304 0.691 20 50 CCGDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NN=c2nccc[nH]2)C1 ZINC000831072053 979026148 /nfs/dbraw/zinc/02/61/48/979026148.db2.gz JTAZHRQFAZXOEK-SFYZADRCSA-N -1 0 265.273 0.356 20 50 CCGDRM C[C@H](CO)N(C)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592762273 979356963 /nfs/dbraw/zinc/35/69/63/979356963.db2.gz QHVRZLMHUDULEN-HCKVZZMMSA-N -1 0 292.335 0.589 20 50 CCGDRM CCC[C@](C)(O)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001595565652 981457000 /nfs/dbraw/zinc/45/70/00/981457000.db2.gz DVZOCKUDIMDVJK-LBPRGKRZSA-N -1 0 267.285 0.774 20 50 CCGDRM CC[C@@H](C(=O)[O-])C(=O)NNC(=O)NCc1ccco1 ZINC001594755141 981664153 /nfs/dbraw/zinc/66/41/53/981664153.db2.gz CDNANLQCLSHSBX-MRVPVSSYSA-N -1 0 269.257 0.221 20 50 CCGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)CCc1ccccc1O ZINC001594755135 981664192 /nfs/dbraw/zinc/66/41/92/981664192.db2.gz BWDHQUZBIADNAI-JTQLQIEISA-N -1 0 294.307 0.583 20 50 CCGDRM CCCC[C@H](NNC(=O)[C@@H]1CCCCO1)C(=O)[O-] ZINC001595640272 981961361 /nfs/dbraw/zinc/96/13/61/981961361.db2.gz DCYWYVBOWLPYRE-UWVGGRQHSA-N -1 0 258.318 0.820 20 50 CCGDRM CCCCNC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595759767 982466590 /nfs/dbraw/zinc/46/65/90/982466590.db2.gz OICDWAWEQPJRSO-DTWKUNHWSA-N -1 0 271.317 0.618 20 50 CCGDRM N#Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001574790896 983276069 /nfs/dbraw/zinc/27/60/69/983276069.db2.gz VRYHWUMRRDITCO-UHFFFAOYSA-N -1 0 298.258 0.659 20 50 CCGDRM C=C(CCC(=O)[O-])C(=O)NNC(=O)[C@H]1CCCCO1 ZINC001588630376 983743439 /nfs/dbraw/zinc/74/34/39/983743439.db2.gz JWTIWGNTNDLKRR-SECBINFHSA-N -1 0 270.285 0.124 20 50 CCGDRM CCNC(=O)N(C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001596463370 984180572 /nfs/dbraw/zinc/18/05/72/984180572.db2.gz XKQWDIQAXFYWIY-UHFFFAOYSA-N -1 0 283.328 0.714 20 50 CCGDRM C[C@H](NC(=O)NNC(=O)C(=O)[O-])c1cccs1 ZINC001599893720 984726726 /nfs/dbraw/zinc/72/67/26/984726726.db2.gz AVLPRVHQRYIHEO-YFKPBYRVSA-N -1 0 257.271 0.224 20 50 CCGDRM CC(=NNC(=O)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001589011167 984987196 /nfs/dbraw/zinc/98/71/96/984987196.db2.gz RSFVXDKFOBMPLB-UHFFFAOYSA-N -1 0 251.198 0.520 20 50 CCGDRM CC(=O)N[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1C ZINC001589106178 985335443 /nfs/dbraw/zinc/33/54/43/985335443.db2.gz XSQYKYGVULFWGC-QMMMGPOBSA-N -1 0 279.296 0.661 20 50 CCGDRM CCO/C=C(\C#N)C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001596860576 985627098 /nfs/dbraw/zinc/62/70/98/985627098.db2.gz AKJTZNZHCRSEFB-VOTSOKGWSA-N -1 0 264.241 0.501 20 50 CCGDRM CCO/C=C(/C#N)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001596864749 985671809 /nfs/dbraw/zinc/67/18/09/985671809.db2.gz XKKDGVWCBFMBBR-VXNGBHNKSA-N -1 0 266.297 1.000 20 50 CCGDRM CCOc1cccc(C=NNC(=O)C(=O)[O-])c1O ZINC001597150870 986930665 /nfs/dbraw/zinc/93/06/65/986930665.db2.gz ZKPUZDQXGJRVAJ-UHFFFAOYSA-N -1 0 252.226 0.326 20 50 CCGDRM CCc1[nH]c(C(=O)NN(C)[C@@H](C)CO)c(C)c1C(=O)[O-] ZINC001597369164 987551542 /nfs/dbraw/zinc/55/15/42/987551542.db2.gz HQAPEBBFUSLCEE-ZETCQYMHSA-N -1 0 283.328 0.541 20 50 CCGDRM CC(C)(C)C(=O)NNC(=O)c1ccoc1CC(=O)[O-] ZINC001589693329 987765218 /nfs/dbraw/zinc/76/52/18/987765218.db2.gz GWPQUJSZNDCQJW-UHFFFAOYSA-N -1 0 268.269 0.714 20 50 CCGDRM CC(C)(C)C[C@H](NS(=O)(=O)CCl)C(=O)[O-] ZINC001589752490 988064461 /nfs/dbraw/zinc/06/44/61/988064461.db2.gz YJUBJYMCIXYTPY-LURJTMIESA-N -1 0 257.739 0.992 20 50 CCGDRM CC(C)(CCl)CS(=O)(=O)NC1(C(=O)[O-])CC1 ZINC001590702011 990421049 /nfs/dbraw/zinc/42/10/49/990421049.db2.gz YOGPGYDSMBVVTE-UHFFFAOYSA-N -1 0 269.750 0.788 20 50 CCGDRM CN(C)c1ccc(F)cc1C=NNC(=O)NCC(=O)[O-] ZINC001598321531 991322289 /nfs/dbraw/zinc/32/22/89/991322289.db2.gz AQXRONZNAGURES-UHFFFAOYSA-N -1 0 282.275 0.609 20 50 CCGDRM CC(C)CC(=O)NNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001591111873 991773403 /nfs/dbraw/zinc/77/34/03/991773403.db2.gz WGIZKSWFCVXUAF-SECBINFHSA-N -1 0 269.301 0.536 20 50 CCGDRM C[S@@](=O)c1ccc(C=NNC(=O)NCC(=O)[O-])cc1 ZINC001599777458 992321645 /nfs/dbraw/zinc/32/16/45/992321645.db2.gz ANIQSXFIFMEJTG-LJQANCHMSA-N -1 0 283.309 0.142 20 50 CCGDRM COc1ccc(NNC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001599598231 993777979 /nfs/dbraw/zinc/77/79/79/993777979.db2.gz QPHWEZMWFBPIHJ-UHFFFAOYSA-N -1 0 288.263 0.940 20 50 CCGDRM C[C@@H](NNC(=O)c1cccc(C(=O)[O-])n1)C(F)(F)F ZINC001593318180 994828512 /nfs/dbraw/zinc/82/85/12/994828512.db2.gz BTBFCRGRPZVORO-RXMQYKEDSA-N -1 0 277.202 0.965 20 50 CCGDRM COC(=O)C(=O)NN=C(C)c1ccc(C(=O)[O-])cc1C ZINC001598683759 994973861 /nfs/dbraw/zinc/97/38/61/994973861.db2.gz CMJDZMFXWUNUNB-UHFFFAOYSA-N -1 0 278.264 0.706 20 50 CCGDRM C[C@H](O)CN(C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001593456276 995355933 /nfs/dbraw/zinc/35/59/33/995355933.db2.gz AYNPHJBRZKQHBA-HORMHSFOSA-N -1 0 268.269 0.335 20 50 CCGDRM C[C@H](O)CN(C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001593457764 995365644 /nfs/dbraw/zinc/36/56/44/995365644.db2.gz ZABSSNVBLDOIOD-JTQLQIEISA-N -1 0 272.345 0.755 20 50 CCGDRM COC[C@H](OC)C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001599187868 997061878 /nfs/dbraw/zinc/06/18/78/997061878.db2.gz TVUSVGPANDZKLQ-JTQLQIEISA-N -1 0 286.259 0.628 20 50 CCGDRM C[C@@]1(CNC(=O)[C@H]([NH3+])CCC(=O)[O-])C[C@H]1Br ZINC001594022355 997549627 /nfs/dbraw/zinc/54/96/27/997549627.db2.gz ZQDPBDBFJPXTEG-XSSZXYGBSA-N -1 0 293.161 0.468 20 50 CCGDRM COCC[C@@H](NS(=O)(=O)CCCCCl)C(=O)[O-] ZINC001599218461 997624322 /nfs/dbraw/zinc/62/43/22/997624322.db2.gz IHMKRXTVCLSUOW-MRVPVSSYSA-N -1 0 287.765 0.415 20 50 CCGDRM COC(=O)c1ccc2[nH]cc(C=NNC(=O)C(=O)[O-])c2c1 ZINC001598989792 998726274 /nfs/dbraw/zinc/72/62/74/998726274.db2.gz MDRFRBCOIFRCIK-UHFFFAOYSA-N -1 0 289.247 0.489 20 50 CCGDRM COC(=O)c1ccccc1NNC(=O)COCC(=O)[O-] ZINC001599002195 998829281 /nfs/dbraw/zinc/82/92/81/998829281.db2.gz OWRVAQHCMYRVHS-UHFFFAOYSA-N -1 0 282.252 0.018 20 50 CCGDRM CO[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)C(C)C ZINC001599028055 999030486 /nfs/dbraw/zinc/03/04/86/999030486.db2.gz ITNRXUKLWPWYRV-SNVBAGLBSA-N -1 0 267.285 0.894 20 50 CCGDRM CCCNC(=O)NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829513287 600912188 /nfs/dbraw/zinc/91/21/88/600912188.db2.gz IPAOQKNWRPCZLP-DTWKUNHWSA-N -1 0 271.317 0.618 20 50 CCGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccoc2)C1 ZINC000833149722 600916412 /nfs/dbraw/zinc/91/64/12/600916412.db2.gz ZYUUBBCTLLPBPH-RKDXNWHRSA-N -1 0 280.280 0.932 20 50 CCGDRM CCC(CC)NC(=O)C(=O)NN=Cc1ccc(C(=O)[O-])[nH]1 ZINC000828862143 601337033 /nfs/dbraw/zinc/33/70/33/601337033.db2.gz KVDUSABXQCLBQF-UHFFFAOYSA-N -1 0 294.311 0.468 20 50 CCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000833179579 602049075 /nfs/dbraw/zinc/04/90/75/602049075.db2.gz SIEWWAYQECPKSU-YUMQZZPRSA-N -1 0 288.263 0.499 20 50 CCGDRM Cc1cc(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)[nH]n1 ZINC000832864625 602185728 /nfs/dbraw/zinc/18/57/28/602185728.db2.gz PQVCCYFYIHONLL-UHFFFAOYSA-N -1 0 261.241 0.508 20 50 CCGDRM O=C([O-])N1CCC[C@@H]1CC(=O)NNC(=O)c1cccnc1 ZINC000831340149 603215469 /nfs/dbraw/zinc/21/54/69/603215469.db2.gz RUAWDVUSDULJJE-SNVBAGLBSA-N -1 0 292.295 0.375 20 50 CCGDRM CC(=O)NNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823584522 603431273 /nfs/dbraw/zinc/43/12/73/603431273.db2.gz ARZCKTDALBCMDR-LDYMZIIASA-N -1 0 279.296 0.799 20 50 CCGDRM CC(=NNC(=O)NCCNC(=O)[O-])C1CCOCC1 ZINC000823527732 603485900 /nfs/dbraw/zinc/48/59/00/603485900.db2.gz MWTBDLRBHOTCIT-UHFFFAOYSA-N -1 0 272.305 0.356 20 50 CCGDRM CC1(C)C(=NNC(=O)NCCNC(=O)[O-])[C@H]2CCCO[C@H]21 ZINC000825691700 603629922 /nfs/dbraw/zinc/62/99/22/603629922.db2.gz ZQVNKFCVMFOFIR-PSASIEDQSA-N -1 0 298.343 0.744 20 50 CCGDRM Cc1cc(=NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)nc(C)[nH]1 ZINC000830121262 603638706 /nfs/dbraw/zinc/63/87/06/603638706.db2.gz ANAFNXUOZURCFT-NXEZZACHSA-N -1 0 293.327 0.973 20 50 CCGDRM CC(C)CC(=O)NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000824170896 603644488 /nfs/dbraw/zinc/64/44/88/603644488.db2.gz UQICKCYADGCJKL-UHFFFAOYSA-N -1 0 257.290 0.180 20 50 CCGDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNc1cccnn1 ZINC000824203755 603659645 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