smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCC(=O)NNC(=O)Cn1cnc2ccccc21 ZINC001601978864 971104591 /nfs/dbraw/zinc/10/45/91/971104591.db2.gz CBUPMCHWTLNSRV-UHFFFAOYSA-N -1 0 304.306 0.439 20 50 DCGDRM CCOC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821334913 945671930 /nfs/dbraw/zinc/67/19/30/945671930.db2.gz TUQVRISMSDEIIQ-UHFFFAOYSA-N -1 0 312.236 0.536 20 50 DCGDRM Cc1n[nH]cc1C(=O)N[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822420022 946084710 /nfs/dbraw/zinc/08/47/10/946084710.db2.gz YLNUVCPLCDSEKG-UHFFFAOYSA-N -1 0 318.322 0.035 20 50 DCGDRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNC(=O)NCCc1cccs1 ZINC001594763079 953515781 /nfs/dbraw/zinc/51/57/81/953515781.db2.gz MQHWOMYADAVIGP-VHSXEESVSA-N -1 0 311.363 0.732 20 50 DCGDRM O=C([O-])C1=NO[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1 ZINC001594889319 954501405 /nfs/dbraw/zinc/50/14/05/954501405.db2.gz KFHYLCBQDMYQAQ-SSDOTTSWSA-N -1 0 303.196 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C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)[O-] ZINC000736707287 978350995 /nfs/dbraw/zinc/35/09/95/978350995.db2.gz LURISFXSSUYMPI-MRVPVSSYSA-N -1 0 313.285 0.398 20 50 DCGDRM C[C@@H](CCOCc1ccccc1)NC(=O)NNC(=O)C(=O)[O-] ZINC001592529420 978386533 /nfs/dbraw/zinc/38/65/33/978386533.db2.gz RWXMOXVJRMFUTK-JTQLQIEISA-N -1 0 309.322 0.397 20 50 DCGDRM CCc1ccccc1OCC(=O)NNC(=O)CCNC(=O)[O-] ZINC000737274191 978394036 /nfs/dbraw/zinc/39/40/36/978394036.db2.gz JZPLDOZZNVMNKG-UHFFFAOYSA-N -1 0 309.322 0.433 20 50 DCGDRM Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738334576 978520287 /nfs/dbraw/zinc/52/02/87/978520287.db2.gz CVSBKRGGPXDDHP-UHFFFAOYSA-N -1 0 303.278 0.883 20 50 DCGDRM Cc1n[nH]cc1C(=O)NNC(=O)c1ccccc1NC(=O)[O-] ZINC000738827003 978603741 /nfs/dbraw/zinc/60/37/41/978603741.db2.gz DEWJOPSXVKRZKY-UHFFFAOYSA-N -1 0 303.278 0.883 20 50 DCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)Cn1ccc2ccccc21 ZINC000739356528 978632315 /nfs/dbraw/zinc/63/23/15/978632315.db2.gz 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XMHGIUQRIWADFM-VIFPVBQESA-N -1 0 308.338 0.560 20 50 DCGDRM O=C([O-])NC[C@@H](C(=O)NNC(=O)c1ccc[nH]1)c1ccccc1 ZINC000832407118 603246900 /nfs/dbraw/zinc/24/69/00/603246900.db2.gz GBWFBULZTBHGFA-LLVKDONJSA-N -1 0 316.317 0.827 20 50 DCGDRM O=C([O-])N[C@H]1CC[C@H](C(=O)NNC(=O)CNc2ccccc2)C1 ZINC000832278698 603438167 /nfs/dbraw/zinc/43/81/67/603438167.db2.gz OLVDNABOWOFNOF-JQWIXIFHSA-N -1 0 320.349 0.682 20 50 DCGDRM O=C([O-])NC1(C(=O)NNC(=O)Cc2ccncc2)CCCC1 ZINC000832175751 603515219 /nfs/dbraw/zinc/51/52/19/603515219.db2.gz LAUJBNZFIXGBQZ-UHFFFAOYSA-N -1 0 306.322 0.352 20 50 DCGDRM C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)NCC(F)(F)F ZINC000824869315 603538582 /nfs/dbraw/zinc/53/85/82/603538582.db2.gz WADDIPSBGCYHFS-YFKPBYRVSA-N -1 0 300.237 0.125 20 50 DCGDRM CC(C)[C@H](CNC(=O)NNC(=O)Cc1ccncc1)NC(=O)[O-] ZINC000824118957 603571485 /nfs/dbraw/zinc/57/14/85/603571485.db2.gz ZKKRSZRVENJKAM-NSHDSACASA-N -1 0 323.353 0.247 20 50 DCGDRM C[C@@H](CC(=O)NNC(=O)CCc1ccccc1O)NC(=O)[O-] ZINC000824671635 603575325 /nfs/dbraw/zinc/57/53/25/603575325.db2.gz IXXADKGVQDNYLG-VIFPVBQESA-N -1 0 309.322 0.518 20 50 DCGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NNC(=O)c1cccn1C ZINC000826117033 603636383 /nfs/dbraw/zinc/63/63/83/603636383.db2.gz WQEMVMSDFWTQDZ-SCZZXKLOSA-N -1 0 324.337 0.290 20 50 DCGDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NNC(=O)NCC1CC1 ZINC000826116019 603696667 /nfs/dbraw/zinc/69/66/67/603696667.db2.gz NWVYTODAUGGCTM-VXNVDRBHSA-N -1 0 314.342 0.230 20 50 DCGDRM COCCN(CC(=O)NNc1cc(Cl)nc(C)n1)C(=O)[O-] ZINC000828976447 603735290 /nfs/dbraw/zinc/73/52/90/603735290.db2.gz MAFBXAMJMCWQKI-UHFFFAOYSA-N -1 0 317.733 0.508 20 50 DCGDRM O=C([O-])NC[C@H]1CCCN1C(=O)NNC(=O)Cc1ccccn1 ZINC000832556083 603757908 /nfs/dbraw/zinc/75/79/08/603757908.db2.gz IAQYNPWGAKTBPG-LLVKDONJSA-N -1 0 321.337 0.097 20 50 DCGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000829101337 603966251 /nfs/dbraw/zinc/96/62/51/603966251.db2.gz HMCUDSNWVSIHIC-DTWKUNHWSA-N -1 0 309.326 0.673 20 50 DCGDRM COc1cc(C)[nH]c(=NNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])n1 ZINC000829101518 603966877 /nfs/dbraw/zinc/96/68/77/603966877.db2.gz IYUXQQYPOBGWIV-DTWKUNHWSA-N -1 0 309.326 0.673 20 50 DCGDRM O=C([O-])N1CCC[C@@H]1C(=O)NNC(=O)CNc1ccccc1 ZINC000831499246 604000938 /nfs/dbraw/zinc/00/09/38/604000938.db2.gz QTDXPTQWZGTRJU-LLVKDONJSA-N -1 0 306.322 0.388 20 50 DCGDRM O=C([O-])N1CC[C@](F)(C(=O)NNC(=S)NCC2CCC2)C1 ZINC000831907988 604119763 /nfs/dbraw/zinc/11/97/63/604119763.db2.gz NCGVKPLJHKPXSI-GFCCVEGCSA-N -1 0 318.374 0.374 20 50 DCGDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)C1CCCC1 ZINC000832476104 604181085 /nfs/dbraw/zinc/18/10/85/604181085.db2.gz SGYARBFEBQGPKT-MNOVXSKESA-N -1 0 312.370 0.943 20 50 DCGDRM O=C([O-])N1CCC[C@@H](C(=O)NN=c2[nH]cccc2[N+](=O)[O-])C1 ZINC000831742348 604312860 /nfs/dbraw/zinc/31/28/60/604312860.db2.gz BNLVSSAKNMRTMQ-MRVPVSSYSA-N -1 0 309.282 0.823 20 50 DCGDRM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)NNC(=O)[O-] ZINC000833742496 604509378 /nfs/dbraw/zinc/50/93/78/604509378.db2.gz NMWIGVCENUDZAW-UHFFFAOYSA-N -1 0 322.321 0.772 20 50 DCGDRM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NNC(=O)c1ccccc1 ZINC000831387719 604639254 /nfs/dbraw/zinc/63/92/54/604639254.db2.gz OOHOZSSCDACPNA-LLVKDONJSA-N -1 0 307.306 0.217 20 50 DCGDRM O=C(CCc1ccccc1)NNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000831436618 604801571 /nfs/dbraw/zinc/80/15/71/604801571.db2.gz MSCVYWHEHXHXSF-LBPRGKRZSA-N -1 0 321.333 0.145 20 50 DCGDRM CC(=O)N1CSC[C@@H]1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833392111 604802202 /nfs/dbraw/zinc/80/22/02/604802202.db2.gz RPCKYLHJHLPURE-SECBINFHSA-N -1 0 310.335 0.144 20 50 DCGDRM O=C([O-])[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cccnc1 ZINC000833149308 604998509 /nfs/dbraw/zinc/99/85/09/604998509.db2.gz MCJLQHKTLUHREL-KGLIPLIRSA-N -1 0 313.313 0.832 20 50 DCGDRM O=C([O-])NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000832748911 605188017 /nfs/dbraw/zinc/18/80/17/605188017.db2.gz VYJAAAOGVKKWSI-UHFFFAOYSA-N -1 0 321.314 0.647 20 50 DCGDRM CC(C)(C)C(=O)Nc1ccncc1C=NNC(=O)NCC(=O)[O-] ZINC000833421982 605329817 /nfs/dbraw/zinc/32/98/17/605329817.db2.gz PHEUNWQLLBTNIF-UHFFFAOYSA-N -1 0 321.337 0.206 20 50 DCGDRM O=C([O-])NCC(=O)NN=Cc1csc(-c2ccccn2)n1 ZINC000834202306 605388059 /nfs/dbraw/zinc/38/80/59/605388059.db2.gz VFRAVIBKHKEDFK-UHFFFAOYSA-N -1 0 305.319 0.923 20 50 DCGDRM O=C([O-])N1CCC[C@H](C(=O)NNC(=O)c2ccccc2F)C1 ZINC000831736621 605443542 /nfs/dbraw/zinc/44/35/42/605443542.db2.gz QFNHGJPEGYRXOW-VIFPVBQESA-N -1 0 309.297 0.977 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000834200386 605444433 /nfs/dbraw/zinc/44/44/33/605444433.db2.gz IVAVJTHEPGWGSZ-NSHDSACASA-N -1 0 305.334 0.912 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(OC2CCC2)cc1 ZINC000834203288 605449385 /nfs/dbraw/zinc/44/93/85/605449385.db2.gz MMYXOYWTDYLEJQ-UHFFFAOYSA-N -1 0 307.306 0.647 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000834203472 605452599 /nfs/dbraw/zinc/45/25/99/605452599.db2.gz QWTBZSFPQPUXKS-UHFFFAOYSA-N -1 0 320.305 0.064 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)COc1cccc(Cl)c1 ZINC000834202140 605457705 /nfs/dbraw/zinc/45/77/05/605457705.db2.gz QAJKDCMLUBWYOA-UHFFFAOYSA-N -1 0 301.686 0.134 20 50 DCGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)NC1CCCC1 ZINC000824299398 605672597 /nfs/dbraw/zinc/67/25/97/605672597.db2.gz IHUNNOHBGMFUTC-JTQLQIEISA-N -1 0 300.359 0.942 20 50 DCGDRM CC(C)(C)NC(=S)NNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823778499 605736464 /nfs/dbraw/zinc/73/64/64/605736464.db2.gz CNYAMOWJGSLYGS-MRVPVSSYSA-N -1 0 302.400 0.670 20 50 DCGDRM O=C([O-])NCCC(=O)NN=Cc1ccc(-n2cncn2)cc1 ZINC000834227430 605752368 /nfs/dbraw/zinc/75/23/68/605752368.db2.gz TWEUVHHYPZORNO-UHFFFAOYSA-N -1 0 302.294 0.375 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)NCC[C@H]1CCCCO1 ZINC000834232845 605767043 /nfs/dbraw/zinc/76/70/43/605767043.db2.gz ZPVKRVABPBHGGT-SNVBAGLBSA-N -1 0 316.358 0.324 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000834203331 605808787 /nfs/dbraw/zinc/80/87/87/605808787.db2.gz NUKWJGZTAHGWPE-GFCCVEGCSA-N -1 0 321.333 0.609 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)NCc1cccc(F)c1 ZINC000834231085 605810205 /nfs/dbraw/zinc/81/02/05/605810205.db2.gz GTQDEZWYNDQFII-UHFFFAOYSA-N -1 0 312.301 0.704 20 50 DCGDRM O=C([O-])N[C@@H](CNS(=O)(=O)CBr)C1CC1 ZINC000834150827 605962527 /nfs/dbraw/zinc/96/25/27/605962527.db2.gz PGGQYJREUHOOKT-LURJTMIESA-N -1 0 301.162 0.304 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)C1(c2ccccc2)CC1 ZINC000834228958 605973364 /nfs/dbraw/zinc/97/33/64/605973364.db2.gz VKGOJFPYHNNHJN-UHFFFAOYSA-N -1 0 305.334 0.913 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2c(c1)CCO2 ZINC000834229689 605974385 /nfs/dbraw/zinc/97/43/85/605974385.db2.gz FYDMEKQNLFIYRR-UHFFFAOYSA-N -1 0 307.306 0.430 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)c1ccc2n[nH]cc2c1 ZINC000834230098 605976482 /nfs/dbraw/zinc/97/64/82/605976482.db2.gz QGBRTQYACFWEAU-UHFFFAOYSA-N -1 0 305.294 0.372 20 50 DCGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNC(=O)c1ccccc1F ZINC000834136108 605999903 /nfs/dbraw/zinc/99/99/03/605999903.db2.gz PQOIVIKVWPSNEG-MRVPVSSYSA-N -1 0 319.239 0.878 20 50 DCGDRM CCCNC(=O)NNC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[O-] ZINC000833855849 606022951 /nfs/dbraw/zinc/02/29/51/606022951.db2.gz PESYIBZKECNGGU-TVQRCGJNSA-N -1 0 300.359 0.943 20 50 DCGDRM O=C([O-])c1ccccc1CC(=O)NNC(=O)[C@H]1CCCS1 ZINC001601368386 970984152 /nfs/dbraw/zinc/98/41/52/970984152.db2.gz BRTIIENUVYNOPD-LLVKDONJSA-N -1 0 308.359 0.970 20 50 DCGDRM CCCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736460610 944825836 /nfs/dbraw/zinc/82/58/36/944825836.db2.gz IEDRMRJXVOCSQZ-UHFFFAOYSA-N -1 0 304.314 0.006 20 50 DCGDRM O=C([O-])CCC(=O)NNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001594996823 951088056 /nfs/dbraw/zinc/08/80/56/951088056.db2.gz LRIRGNVOGAEQPN-UHFFFAOYSA-N -1 0 308.319 0.764 20 50 DCGDRM O=C([O-])CC[C@H]1C[C@H](C(=O)NNc2nc3ccccn3n2)CO1 ZINC001595007020 951214172 /nfs/dbraw/zinc/21/41/72/951214172.db2.gz XRMKRBBRNPFSNC-UWVGGRQHSA-N -1 0 319.321 0.442 20 50 DCGDRM O=C([O-])C1(CNC(=O)NNc2ncncc2F)CCOCC1 ZINC001594743788 953376962 /nfs/dbraw/zinc/37/69/62/953376962.db2.gz UGNUAYKTVGQASN-UHFFFAOYSA-N -1 0 313.289 0.123 20 50 DCGDRM O=C([O-])[C@@]1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCCO1 ZINC001594782981 953652141 /nfs/dbraw/zinc/65/21/41/953652141.db2.gz QCCUPTFCPHIXKE-ZDUSSCGKSA-N -1 0 312.709 0.735 20 50 DCGDRM CCNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739463149 955253754 /nfs/dbraw/zinc/25/37/54/955253754.db2.gz NMEMATCVIFDTFC-NSHDSACASA-N -1 0 319.321 0.056 20 50 DCGDRM O=C([O-])[C@@H]1CC(C(=O)NNC(=O)C2CC2)=NN1c1ccccc1 ZINC000740461064 955259882 /nfs/dbraw/zinc/25/98/82/955259882.db2.gz TZRGKJVBJWQJQV-LBPRGKRZSA-N -1 0 316.317 0.263 20 50 DCGDRM O=C([O-])CSCC(=O)NNC(=O)Cc1ccccc1F ZINC000740485509 955260811 /nfs/dbraw/zinc/26/08/11/955260811.db2.gz SWQCIJQWJUQNAD-UHFFFAOYSA-N -1 0 300.311 0.333 20 50 DCGDRM CCc1ccccc1OCC(=O)NNC(=O)NCCC(=O)[O-] ZINC000818339306 955395957 /nfs/dbraw/zinc/39/59/57/955395957.db2.gz NGYGDYCHRJEJSQ-UHFFFAOYSA-N -1 0 309.322 0.433 20 50 DCGDRM CC(C)C[C@@H](CNC(=O)NNC(=O)[C@H]1CCCCO1)C(=O)[O-] ZINC000818628252 955419798 /nfs/dbraw/zinc/41/97/98/955419798.db2.gz SRRNHVJIYAISGC-WDEREUQCSA-N -1 0 315.370 0.633 20 50 DCGDRM Cn1cc([C@@H]2C[C@H]2C(=O)NN=c2[nH]cccc2C(=O)[O-])cn1 ZINC001594548532 955700760 /nfs/dbraw/zinc/70/07/60/955700760.db2.gz QKIFKSHHCLXOPP-WDEREUQCSA-N -1 0 301.306 0.760 20 50 DCGDRM COC(=O)c1ccc(NNC(=O)NC[C@H](C)C(=O)[O-])c(F)c1 ZINC000848583752 955754218 /nfs/dbraw/zinc/75/42/18/955754218.db2.gz FTPYYEZDPJSJIU-ZETCQYMHSA-N -1 0 313.285 0.959 20 50 DCGDRM CO[C@H](C(=O)[O-])C(=O)NNc1cc(Cl)nc2ncccc21 ZINC001593911533 955970026 /nfs/dbraw/zinc/97/00/26/955970026.db2.gz NNSXDXJXENRASI-VIFPVBQESA-N -1 0 310.697 0.826 20 50 DCGDRM CC(C)c1nc(C#N)c(NNC(=O)C2(C(=O)[O-])CCOCC2)o1 ZINC001603107302 972185613 /nfs/dbraw/zinc/18/56/13/972185613.db2.gz YXIJJTOPXOEKPH-UHFFFAOYSA-N -1 0 322.321 0.994 20 50 DCGDRM C[C@@H](CC(=O)[O-])NC(=O)NNc1ccccc1S(C)(=O)=O ZINC001603124987 972211769 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603866898 /nfs/dbraw/zinc/86/68/98/603866898.db2.gz PWAZCULNWGVVMU-CQSZACIVSA-N -1 0 320.280 0.411 20 50 DCGDRM CC(C)(C)NC(=S)NNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823779019 604030722 /nfs/dbraw/zinc/03/07/22/604030722.db2.gz QWJSXFLXDKIIMR-JGVFFNPUSA-N -1 0 302.400 0.717 20 50 DCGDRM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NNC(=O)[O-] ZINC000824908107 604155893 /nfs/dbraw/zinc/15/58/93/604155893.db2.gz RDSWYKOWMQZSDP-LBPRGKRZSA-N -1 0 321.381 0.679 20 50 DCGDRM COc1cc[nH]c(=NNC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])n1 ZINC000829650580 604183980 /nfs/dbraw/zinc/18/39/80/604183980.db2.gz SNLLQZFWRJOXFI-BDAKNGLRSA-N -1 0 324.341 0.548 20 50 DCGDRM O=C([O-])NCCNC(=O)NNC(=O)Cc1c(F)cccc1F ZINC000832653386 604217952 /nfs/dbraw/zinc/21/79/52/604217952.db2.gz WLZDMQCEVFCAMM-UHFFFAOYSA-N -1 0 316.264 0.105 20 50 DCGDRM CN(CCNC(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000828324379 604267344 /nfs/dbraw/zinc/26/73/44/604267344.db2.gz OEEUVJIAOJQAMS-UHFFFAOYSA-N -1 0 310.339 0.927 20 50 DCGDRM Cc1ccccc1CC(=O)NNC(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000830566474 604427898 /nfs/dbraw/zinc/42/78/98/604427898.db2.gz BKBLIDCGLWGXOD-LLVKDONJSA-N -1 0 322.365 0.914 20 50 DCGDRM Cc1ccccc1C(=O)NNC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830553165 604653059 /nfs/dbraw/zinc/65/30/59/604653059.db2.gz GARDTPKNYNAZSQ-NSHDSACASA-N -1 0 307.306 0.135 20 50 DCGDRM Cn1nnc2cc(C(=O)NN=c3ccc(C(=O)[O-])c[nH]3)ccc21 ZINC000833759330 604803819 /nfs/dbraw/zinc/80/38/19/604803819.db2.gz FTMJQJOZZNKJLP-UHFFFAOYSA-N -1 0 312.289 0.818 20 50 DCGDRM Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000833041853 604824671 /nfs/dbraw/zinc/82/46/71/604824671.db2.gz TUHLHNUTIYPTRO-UHFFFAOYSA-N -1 0 306.253 0.332 20 50 DCGDRM Cn1cccc1C(=O)NNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000831026662 605244178 /nfs/dbraw/zinc/24/41/78/605244178.db2.gz JICNKVBXXJPNBY-UHFFFAOYSA-N -1 0 316.317 0.971 20 50 DCGDRM N#CCc1ccccc1CC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833967409 605318609 /nfs/dbraw/zinc/31/86/09/605318609.db2.gz JYPPSBNMQHDOSH-UHFFFAOYSA-N -1 0 318.333 0.490 20 50 DCGDRM O=C([O-])NCC(=O)NN=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000834200198 605384873 /nfs/dbraw/zinc/38/48/73/605384873.db2.gz ZUJIRBUQMIXLKB-UHFFFAOYSA-N -1 0 305.269 0.934 20 50 DCGDRM O=C([O-])NCC(=O)NCC(=O)NNc1ccc(Cl)cc1 ZINC000834198386 605400350 /nfs/dbraw/zinc/40/03/50/605400350.db2.gz INVXRKYHKYEWJM-UHFFFAOYSA-N -1 0 300.702 0.167 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000834200688 605447312 /nfs/dbraw/zinc/44/73/12/605447312.db2.gz OMXXGCXFGFOQMO-VIFPVBQESA-N -1 0 307.306 0.358 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccc(-n2cccc2)cc1 ZINC000834202928 605454423 /nfs/dbraw/zinc/45/44/23/605454423.db2.gz BUXQUKLKCDDYNK-UHFFFAOYSA-N -1 0 302.290 0.506 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)C[C@H]1OCCc2ccccc21 ZINC000834201131 605459882 /nfs/dbraw/zinc/45/98/82/605459882.db2.gz SWAKPZLDKXZJST-LLVKDONJSA-N -1 0 307.306 0.106 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000834203511 605475041 /nfs/dbraw/zinc/47/50/41/605475041.db2.gz VOLMXJZHBZPULP-UHFFFAOYSA-N -1 0 315.289 0.172 20 50 DCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000833384751 605590008 /nfs/dbraw/zinc/59/00/08/605590008.db2.gz MHDANFHSSJLVQS-UHFFFAOYSA-N -1 0 304.306 0.679 20 50 DCGDRM Cc1cc(C)[nH]c(=NNC(=O)CN2CCC(NC(=O)[O-])CC2)n1 ZINC000830025849 605602482 /nfs/dbraw/zinc/60/24/82/605602482.db2.gz QXTZYNGNMYJWGJ-UHFFFAOYSA-N -1 0 322.369 0.269 20 50 DCGDRM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CNC(=O)c1cccnc1 ZINC000833800978 605623987 /nfs/dbraw/zinc/62/39/87/605623987.db2.gz GDJNUDAGFDNRIC-VIFPVBQESA-N -1 0 321.337 0.350 20 50 DCGDRM CCNC(=O)NNC(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000827256993 605668496 /nfs/dbraw/zinc/66/84/96/605668496.db2.gz SBDCRJULDVKMMI-LLVKDONJSA-N -1 0 306.322 0.614 20 50 DCGDRM Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830016716 605711365 /nfs/dbraw/zinc/71/13/65/605711365.db2.gz JAXJFZPJUDPILI-LLVKDONJSA-N -1 0 323.353 0.037 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)NCC[C@@H]1CCCCO1 ZINC000834232844 605767411 /nfs/dbraw/zinc/76/74/11/605767411.db2.gz ZPVKRVABPBHGGT-JTQLQIEISA-N -1 0 316.358 0.324 20 50 DCGDRM Cc1cc(C(=O)NNC(=O)[C@@]2(C)CCCN(C(=O)[O-])C2)[nH]n1 ZINC000833898615 605776000 /nfs/dbraw/zinc/77/60/00/605776000.db2.gz PWYRKNQPDUYIIB-ZDUSSCGKSA-N -1 0 309.326 0.259 20 50 DCGDRM C=CCNC(=S)NNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000823511138 605802757 /nfs/dbraw/zinc/80/27/57/605802757.db2.gz QAOWTRUADRMJMK-QMMMGPOBSA-N -1 0 318.424 0.153 20 50 DCGDRM O=C([O-])N[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)C1CC1 ZINC000834142127 605817933 /nfs/dbraw/zinc/81/79/33/605817933.db2.gz DCCITHKIXRAVKW-NSHDSACASA-N -1 0 321.337 0.001 20 50 DCGDRM O=C([O-])NCCC(=O)NNC(=O)Cc1cc(F)ccc1F ZINC000834227198 605845039 /nfs/dbraw/zinc/84/50/39/605845039.db2.gz OCOANKPPZLGCGB-UHFFFAOYSA-N -1 0 301.249 0.312 20 50 DCGDRM Cc1cc(C(=O)NNC(=O)NC[C@@H](NC(=O)[O-])C2CC2)c(C)o1 ZINC000833897774 605845683 /nfs/dbraw/zinc/84/56/83/605845683.db2.gz GCFFQIDHUZFARM-LLVKDONJSA-N -1 0 324.337 0.887 20 50 DCGDRM O=C([O-])N1CCC[C@H](OCC(=O)NNc2ccnc(F)c2)C1 ZINC000834009240 605875300 /nfs/dbraw/zinc/87/53/00/605875300.db2.gz CTRUYZFEQAARCB-JTQLQIEISA-N -1 0 312.301 0.823 20 50 DCGDRM CC(C)[C@@H](CNS(=O)(=O)CBr)NC(=O)[O-] ZINC000833792635 605953234 /nfs/dbraw/zinc/95/32/34/605953234.db2.gz LEQBDLJDNWOJBJ-ZCFIWIBFSA-N -1 0 303.178 0.550 20 50 DCGDRM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1Cc2ccccc2S1 ZINC000834230193 605976327 /nfs/dbraw/zinc/97/63/27/605976327.db2.gz AGNAKSCICOOVAE-LLVKDONJSA-N -1 0 323.374 0.899 20 50 DCGDRM Cc1noc(Cl)c1CC(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833933477 605978777 /nfs/dbraw/zinc/97/87/77/605978777.db2.gz HSZCQHCGSOWASY-UHFFFAOYSA-N -1 0 318.717 0.374 20 50 DCGDRM Cn1c(C(=O)NNC(=O)CCCNC(=O)[O-])cc2ccccc21 ZINC000833940109 605978792 /nfs/dbraw/zinc/97/87/92/605978792.db2.gz HLKXFXQWMNNAFG-UHFFFAOYSA-N -1 0 318.333 0.987 20 50 DCGDRM O=C([O-])N[C@H](CC(F)F)C(=O)NNC(=O)NC1CCCCC1 ZINC000834136176 605999908 /nfs/dbraw/zinc/99/99/08/605999908.db2.gz RFKFCPBPEMULLX-MRVPVSSYSA-N -1 0 322.312 0.941 20 50 DCGDRM Cc1cc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)no1 ZINC000826259878 608571886 /nfs/dbraw/zinc/57/18/86/608571886.db2.gz KRVWQMSQYYIWHA-UHFFFAOYSA-N -1 0 320.700 0.968 20 50 DCGDRM C[C@H]1CC[C@@H](C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)O1 ZINC000824898405 608578058 /nfs/dbraw/zinc/57/80/58/608578058.db2.gz FIPYXYBKSXREOW-XPUUQOCRSA-N -1 0 323.744 0.926 20 50 DCGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)C1CC(=O)C1 ZINC000826478478 608626697 /nfs/dbraw/zinc/62/66/97/608626697.db2.gz CEQNVIGKJKTVBO-UHFFFAOYSA-N -1 0 307.701 0.337 20 50 DCGDRM O=C([N-]NC(=O)NC1CCCC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000738136351 945233905 /nfs/dbraw/zinc/23/39/05/945233905.db2.gz KJUJTFPYTJTDLF-UHFFFAOYSA-N -1 0 316.325 0.148 20 50 DCGDRM COCc1nc(Cl)cc(NNC(=O)CSCC(=O)[O-])n1 ZINC001611019381 970852895 /nfs/dbraw/zinc/85/28/95/970852895.db2.gz ROTAADXISRKIMR-UHFFFAOYSA-N -1 0 320.758 0.537 20 50 DCGDRM Cc1cc(C(=O)N[N-]C(=O)c2ccc(-c3nn[nH]n3)s2)[nH]n1 ZINC000822177133 945971241 /nfs/dbraw/zinc/97/12/41/945971241.db2.gz UTHYQSMKIIHMJX-UHFFFAOYSA-N -1 0 318.322 0.035 20 50 DCGDRM O=C([N-]NC(=O)c1ccoc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823276989 946390950 /nfs/dbraw/zinc/39/09/50/946390950.db2.gz AVPOMTMJVJQXDE-UHFFFAOYSA-N -1 0 304.291 0.596 20 50 DCGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCCCCO)o1 ZINC001574424070 948839547 /nfs/dbraw/zinc/83/95/47/948839547.db2.gz DIMYNXYKGWXHGF-UHFFFAOYSA-N -1 0 323.357 0.974 20 50 DCGDRM CC(C)(C(=O)NNC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1ccccc1 ZINC001602831252 971657073 /nfs/dbraw/zinc/65/70/73/971657073.db2.gz VWFIJACZTKPAQC-LLVKDONJSA-N -1 0 319.317 0.341 20 50 DCGDRM O=C([O-])CC1(C(=O)NNC(=O)[C@H]2CCCS2)CCOCC1 ZINC001594976463 950919211 /nfs/dbraw/zinc/91/92/11/950919211.db2.gz RRTJXUSOFJYAIZ-SECBINFHSA-N -1 0 316.379 0.301 20 50 DCGDRM O=C([O-])CC1(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CCC1 ZINC001594976376 950919315 /nfs/dbraw/zinc/91/93/15/950919315.db2.gz OXPPRKMGYWQBPO-LBPRGKRZSA-N -1 0 318.329 0.783 20 50 DCGDRM CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591703412 951163652 /nfs/dbraw/zinc/16/36/52/951163652.db2.gz MKXYDVSHTAQENR-VHSXEESVSA-N -1 0 316.354 0.424 20 50 DCGDRM O=C([O-])COc1cccc(C(=O)NNC(=O)[C@H]2CCCCO2)c1 ZINC001595122418 951978218 /nfs/dbraw/zinc/97/82/18/951978218.db2.gz FWCJEKBSMOYACR-GFCCVEGCSA-N -1 0 322.317 0.480 20 50 DCGDRM O=C([O-])c1ccccc1CNC(=O)NNC(=O)[C@@H]1CCCCO1 ZINC001594772203 953573224 /nfs/dbraw/zinc/57/32/24/953573224.db2.gz YHJMQQNQSSIFAK-LBPRGKRZSA-N -1 0 321.333 0.784 20 50 DCGDRM O=C([O-])c1cc(C(=O)NN=c2nc[nH]c3ccsc32)[nH]n1 ZINC001594781434 953633173 /nfs/dbraw/zinc/63/31/73/953633173.db2.gz ORLHBGAUZDOZAE-UHFFFAOYSA-N -1 0 304.291 0.870 20 50 DCGDRM CC(C)[C@H](CNC(=O)NNC(=O)[C@H]1CCCS1)C(=O)[O-] ZINC001602984889 972012277 /nfs/dbraw/zinc/01/22/77/972012277.db2.gz IEFOAHYWOHNOHS-DTWKUNHWSA-N -1 0 303.384 0.569 20 50 DCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cccnc1C(=O)[O-] ZINC001589415260 954544585 /nfs/dbraw/zinc/54/45/85/954544585.db2.gz FODBQIZDHRQVJW-JGVFFNPUSA-N -1 0 308.294 0.358 20 50 DCGDRM C[C@H]1OCC[C@H]1C(=O)NNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001589418124 954575332 /nfs/dbraw/zinc/57/53/32/954575332.db2.gz XWDWVTWBGWVZFT-BXKDBHETSA-N -1 0 321.333 0.640 20 50 DCGDRM O=C([O-])[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(F)cc2)C1 ZINC000739279410 955253186 /nfs/dbraw/zinc/25/31/86/955253186.db2.gz YEGURTPJDFWUSK-NSHDSACASA-N -1 0 323.324 0.383 20 50 DCGDRM O=C([O-])CSCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000740485551 955261441 /nfs/dbraw/zinc/26/14/41/955261441.db2.gz VSTZVJITORNOAX-UHFFFAOYSA-N -1 0 313.291 0.174 20 50 DCGDRM CN(C)c1cccc(C(=O)NNC(=O)NCCCCC(=O)[O-])c1 ZINC000820547921 955473999 /nfs/dbraw/zinc/47/39/99/955473999.db2.gz NTLMQGPMNXOYDL-UHFFFAOYSA-N -1 0 322.365 0.952 20 50 DCGDRM Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000831071723 955550262 /nfs/dbraw/zinc/55/02/62/955550262.db2.gz FYXKKIGTWNLEMP-WDEREUQCSA-N -1 0 323.353 0.084 20 50 DCGDRM COC(=O)c1cccc(NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001593897320 955831946 /nfs/dbraw/zinc/83/19/46/955831946.db2.gz LXEFFHNTAKRPJU-JGZJWPJOSA-N -1 0 307.306 0.963 20 50 DCGDRM COC(=O)c1cccc(NNC(=O)c2cc(C(=O)[O-])n[nH]2)c1F ZINC001593897484 955835300 /nfs/dbraw/zinc/83/53/00/955835300.db2.gz OWSGFWONZKHZHH-UHFFFAOYSA-N -1 0 322.252 0.791 20 50 DCGDRM CS(=O)(=O)c1ccccc1NNC(=O)C1(C(=O)[O-])CCC1 ZINC000852950244 955871367 /nfs/dbraw/zinc/87/13/67/955871367.db2.gz NZTZMGWRCZAEPC-UHFFFAOYSA-N -1 0 312.347 0.788 20 50 DCGDRM Cn1ncc2c1C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])CC2 ZINC001594585831 955997791 /nfs/dbraw/zinc/99/77/91/955997791.db2.gz FRCXRHSQOSFPPR-VIFPVBQESA-N -1 0 315.333 0.762 20 50 DCGDRM O=C(CCOc1ccccc1)NNC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594688235 956726757 /nfs/dbraw/zinc/72/67/57/956726757.db2.gz REHVKDFCOJZPMW-PHIMTYICSA-N -1 0 321.333 0.649 20 50 DCGDRM O=C([O-])[C@H](C(=O)NNC(=O)CCOc1ccccc1)C1CC1 ZINC001594688194 956726764 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990020909 /nfs/dbraw/zinc/02/09/09/990020909.db2.gz UUUFDOKYQDSRIE-UHFFFAOYSA-N -1 0 304.310 0.823 20 50 DCGDRM CC(C)[C@@H](CNC(=O)NNC(=O)C(=O)[O-])Cc1ccccc1 ZINC001590983292 991159362 /nfs/dbraw/zinc/15/93/62/991159362.db2.gz HUTAEFXWFPJHGM-GFCCVEGCSA-N -1 0 307.350 0.916 20 50 DCGDRM COc1ccccc1C(=O)NNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599697336 991167719 /nfs/dbraw/zinc/16/77/19/991167719.db2.gz YALLBEFIVGKLLB-ZJUUUORDSA-N -1 0 321.333 0.893 20 50 DCGDRM CN(C)c1cnc(C(=O)NNc2ccccc2C(=O)[O-])cn1 ZINC001598348517 991434706 /nfs/dbraw/zinc/43/47/06/991434706.db2.gz RNYCIHVQSIXAHC-UHFFFAOYSA-N -1 0 301.306 0.998 20 50 DCGDRM CN(NC(=O)OCc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001598540918 992899930 /nfs/dbraw/zinc/89/99/30/992899930.db2.gz GDZHHIAIRAHGLC-NEPJUHHUSA-N -1 0 322.317 0.918 20 50 DCGDRM CN1CCOC[C@@H]1CNC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598623455 994046650 /nfs/dbraw/zinc/04/66/50/994046650.db2.gz HLZAJAOOCQYAPM-ZDUSSCGKSA-N -1 0 322.365 0.270 20 50 DCGDRM 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O=C([O-])NCC1(C(=O)NNC(=O)c2ccncc2)CCCC1 ZINC000832443302 603612259 /nfs/dbraw/zinc/61/22/59/603612259.db2.gz ZCKXWYLHJFRION-UHFFFAOYSA-N -1 0 306.322 0.671 20 50 DCGDRM O=C([O-])NCCNC(=O)NNC(=O)c1cccc2cnccc21 ZINC000832658918 603618978 /nfs/dbraw/zinc/61/89/78/603618978.db2.gz XVAWEYDLIGWYRB-UHFFFAOYSA-N -1 0 317.305 0.446 20 50 DCGDRM O=C([O-])NCC1(C(=O)NNC(=O)CC(F)(F)F)CCCC1 ZINC000832442877 603798767 /nfs/dbraw/zinc/79/87/67/603798767.db2.gz DLSYPJODXZFLCU-UHFFFAOYSA-N -1 0 311.260 0.914 20 50 DCGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824170124 603838409 /nfs/dbraw/zinc/83/84/09/603838409.db2.gz FSNPBCIVDJQRLR-GHMZBOCLSA-N -1 0 314.386 0.253 20 50 DCGDRM Cc1ccc(NNC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])nn1 ZINC000830395854 603856202 /nfs/dbraw/zinc/85/62/02/603856202.db2.gz LWMGWNBERBGZFD-NXEZZACHSA-N -1 0 308.342 0.847 20 50 DCGDRM C[C@]1(C(=O)NNC(=O)Cc2ccccc2F)CCN(C(=O)[O-])C1 ZINC000825674193 603933674 /nfs/dbraw/zinc/93/36/74/603933674.db2.gz 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604611749 /nfs/dbraw/zinc/61/17/49/604611749.db2.gz JFVQGBWGJSLRFI-GFCCVEGCSA-N -1 0 320.349 0.873 20 50 DCGDRM CC(C)(C)CC(=O)NCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833423769 604802509 /nfs/dbraw/zinc/80/25/09/604802509.db2.gz XPHNVXGSMHOACH-UHFFFAOYSA-N -1 0 308.338 0.775 20 50 DCGDRM CNC(=O)c1cccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c1 ZINC000833700557 604806002 /nfs/dbraw/zinc/80/60/02/604806002.db2.gz MFYIFSZWNUPFFN-UHFFFAOYSA-N -1 0 314.301 0.896 20 50 DCGDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NNc1cccnn1 ZINC000826127271 604892594 /nfs/dbraw/zinc/89/25/94/604892594.db2.gz SFKANYAFBMMFET-DTWKUNHWSA-N -1 0 324.341 0.606 20 50 DCGDRM CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cccc(OC)c1O ZINC000827523910 605156993 /nfs/dbraw/zinc/15/69/93/605156993.db2.gz ANARINJUWLVKGC-QMMMGPOBSA-N -1 0 311.294 0.208 20 50 DCGDRM O=C([O-])N1CCO[C@H](C(=O)NNc2c(F)cccc2F)C1 ZINC000831742605 605351908 /nfs/dbraw/zinc/35/19/08/605351908.db2.gz LJHSCUDQKVWIMN-VIFPVBQESA-N -1 0 301.249 0.787 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000834203532 605389921 /nfs/dbraw/zinc/38/99/21/605389921.db2.gz WERIOLYJXPUWMN-NSHDSACASA-N -1 0 322.390 0.307 20 50 DCGDRM Cc1ccnn1-c1ccc(C(=O)NNC(=O)CNC(=O)[O-])cc1 ZINC000833909215 605446411 /nfs/dbraw/zinc/44/64/11/605446411.db2.gz BWVVBZGTEBPCRD-UHFFFAOYSA-N -1 0 317.305 0.209 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1cccnc1N1CCCCC1 ZINC000834202779 605454513 /nfs/dbraw/zinc/45/45/13/605454513.db2.gz AWSRSOQBEVIORO-UHFFFAOYSA-N -1 0 321.337 0.101 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)c1ccccc1OC1CCC1 ZINC000834203251 605458960 /nfs/dbraw/zinc/45/89/60/605458960.db2.gz OYPPKVIIPBSMQG-UHFFFAOYSA-N -1 0 307.306 0.647 20 50 DCGDRM N#CC1(c2ccc(C(=O)NNC(=O)CNC(=O)[O-])cc2)CC1 ZINC000833963256 605462590 /nfs/dbraw/zinc/46/25/90/605462590.db2.gz KKJDDVYKPQMNJZ-UHFFFAOYSA-N -1 0 302.290 0.270 20 50 DCGDRM O=C([O-])NCC(=O)NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000834200778 605462766 /nfs/dbraw/zinc/46/27/66/605462766.db2.gz 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605533482 /nfs/dbraw/zinc/53/34/82/605533482.db2.gz OFGKBRVHFXCQLL-IUCAKERBSA-N -1 0 316.358 0.178 20 50 DCGDRM CN(C)CC(=O)NNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000828009612 605560174 /nfs/dbraw/zinc/56/01/74/605560174.db2.gz NITARHQOHCCQET-GHMZBOCLSA-N -1 0 314.386 0.302 20 50 DCGDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)NC1CCCC1 ZINC000823849464 605671774 /nfs/dbraw/zinc/67/17/74/605671774.db2.gz ALDDKNGXPISMBA-SECBINFHSA-N -1 0 300.359 0.942 20 50 DCGDRM O=C([O-])N1CC(CNC(=O)NN=c2nc[nH]c3ccsc32)C1 ZINC000834035788 605741962 /nfs/dbraw/zinc/74/19/62/605741962.db2.gz XFIWKQMXBOIWHL-UHFFFAOYSA-N -1 0 322.350 0.927 20 50 DCGDRM O=C([O-])NCCCC(=O)NN=C(CO)c1ccc(F)cc1F ZINC000834229400 605797845 /nfs/dbraw/zinc/79/78/45/605797845.db2.gz HKXKLDCXIOSDLO-UHFFFAOYSA-N -1 0 315.276 0.825 20 50 DCGDRM O=C([O-])N[C@H](CNC(=O)NNC(=O)c1ccccc1F)C1CC1 ZINC000834141582 605843279 /nfs/dbraw/zinc/84/32/79/605843279.db2.gz BAIFAQWRMQUMNE-LLVKDONJSA-N -1 0 324.312 0.816 20 50 DCGDRM O=C([O-])NCCC(=O)NNC(=O)CSCc1cccnc1 ZINC000834227047 605844942 /nfs/dbraw/zinc/84/49/42/605844942.db2.gz IVBNNWFINWYOBP-UHFFFAOYSA-N -1 0 312.351 0.120 20 50 DCGDRM O=C([O-])N(CC(=O)NNc1ccnc(F)c1)C[C@@H]1CCCO1 ZINC000834006204 605875276 /nfs/dbraw/zinc/87/52/76/605875276.db2.gz KDCGQHRYHOHWSD-JTQLQIEISA-N -1 0 312.301 0.823 20 50 DCGDRM Cc1cccnc1C(=O)NNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000833911794 605927187 /nfs/dbraw/zinc/92/71/87/605927187.db2.gz YVNVEFGTBZBDHX-NXEZZACHSA-N -1 0 306.322 0.587 20 50 DCGDRM N#Cc1ccc(CCC(=O)NNC(=O)CCCNC(=O)[O-])cc1 ZINC000833971389 605977087 /nfs/dbraw/zinc/97/70/87/605977087.db2.gz FCACOEFAFBWAGG-UHFFFAOYSA-N -1 0 318.333 0.686 20 50 DCGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2CCCO2)o1 ZINC000824359324 607889147 /nfs/dbraw/zinc/88/91/47/607889147.db2.gz VNRAVVZCHVXYLG-SSDOTTSWSA-N -1 0 307.314 0.600 20 50 DCGDRM Cn1cc(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)cn1 ZINC000826358825 608573808 /nfs/dbraw/zinc/57/38/08/608573808.db2.gz KGVIBHQUURCPKU-UHFFFAOYSA-N -1 0 319.716 0.406 20 50 DCGDRM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cn[nH]c1 ZINC000826446067 608579077 /nfs/dbraw/zinc/57/90/77/608579077.db2.gz YHQGGTBCOIZSDN-UHFFFAOYSA-N -1 0 305.689 0.395 20 50 DCGDRM Cn1cccc1C(=O)N[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000822690477 946158937 /nfs/dbraw/zinc/15/89/37/946158937.db2.gz ZKDUWCUZOXGTIJ-UHFFFAOYSA-N -1 0 317.334 0.342 20 50 DCGDRM C[C@H](C(=O)NN=c1ccc(-c2nnn[n-]2)c[nH]1)c1cnccn1 ZINC001573730098 948577327 /nfs/dbraw/zinc/57/73/27/948577327.db2.gz MUYOOAGSOLQYLI-QMMMGPOBSA-N -1 0 311.309 0.299 20 50 DCGDRM O=C([O-])c1ccc(C=NNC(=O)[C@@H]2CCc3nncn3C2)s1 ZINC001595227220 949309327 /nfs/dbraw/zinc/30/93/27/949309327.db2.gz UHPNOETUWYUZES-MRVPVSSYSA-N -1 0 319.346 0.751 20 50 DCGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C ZINC001602804777 971583628 /nfs/dbraw/zinc/58/36/28/971583628.db2.gz LMJZOJUWTKTYSY-MRVPVSSYSA-N -1 0 317.342 0.159 20 50 DCGDRM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cnn2c1NCCC2 ZINC001595261428 949669576 /nfs/dbraw/zinc/66/95/76/949669576.db2.gz AKIMTMKPQGWCPZ-UHFFFAOYSA-N -1 0 302.294 0.549 20 50 DCGDRM CCCCNC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589650601 949777512 /nfs/dbraw/zinc/77/75/12/949777512.db2.gz RIMVCYFUEZPRQW-NXEZZACHSA-N -1 0 301.343 0.387 20 50 DCGDRM CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)CCC(=O)[O-])o1 ZINC001589726500 950468655 /nfs/dbraw/zinc/46/86/55/950468655.db2.gz ZRHURZYAYTYFFH-UHFFFAOYSA-N -1 0 311.338 0.747 20 50 DCGDRM CCOCc1nc(C)cc(NNC(=O)[C@]2(C(=O)[O-])CCCO2)n1 ZINC001591987795 951261899 /nfs/dbraw/zinc/26/18/99/951261899.db2.gz WDDUQBBVUIGJFL-AWEZNQCLSA-N -1 0 324.337 0.398 20 50 DCGDRM O=C([O-])CN1CCC[C@@H](C(=O)NNc2ccc(F)cc2)C1=O ZINC001595084393 951716035 /nfs/dbraw/zinc/71/60/35/951716035.db2.gz VJHYLUQLPQMRHF-NSHDSACASA-N -1 0 309.297 0.592 20 50 DCGDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNc1cccnn1)O2 ZINC001594748399 953399807 /nfs/dbraw/zinc/39/98/07/953399807.db2.gz IUZBGUWJJVHOFJ-XIRUVYRFSA-N -1 0 321.337 0.515 20 50 DCGDRM CC(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001602970610 971977127 /nfs/dbraw/zinc/97/71/27/971977127.db2.gz YVHHYXGGSPWFHD-SNVBAGLBSA-N -1 0 309.278 0.713 20 50 DCGDRM C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)Nc1cccnc1C(=O)[O-] ZINC001589415262 954544519 /nfs/dbraw/zinc/54/45/19/954544519.db2.gz FODBQIZDHRQVJW-YUMQZZPRSA-N -1 0 308.294 0.358 20 50 DCGDRM COc1ccccc1CC(=O)NNC(=O)NCCCC(=O)[O-] ZINC000818631443 955421099 /nfs/dbraw/zinc/42/10/99/955421099.db2.gz XNFNKRRKTVCZCC-UHFFFAOYSA-N -1 0 309.322 0.433 20 50 DCGDRM O=C([O-])CCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000819443266 955445951 /nfs/dbraw/zinc/44/59/51/955445951.db2.gz YNAWGMPBNRTMTP-UHFFFAOYSA-N -1 0 323.305 0.267 20 50 DCGDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000819846497 955454643 /nfs/dbraw/zinc/45/46/43/955454643.db2.gz DDYAQPKBOSHIMK-ABAIWWIYSA-N -1 0 317.301 0.142 20 50 DCGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NNC(=O)c1ccc2c(c1)OCO2 ZINC000819848278 955456128 /nfs/dbraw/zinc/45/61/28/955456128.db2.gz RSBPOBAITOSHIG-CQSZACIVSA-N -1 0 319.273 0.181 20 50 DCGDRM C[C@](C#N)(CC(=O)[O-])C(=O)NNC(=O)Cc1ccc(F)cc1 ZINC000819848994 955457327 /nfs/dbraw/zinc/45/73/27/955457327.db2.gz WNBLUDGGWPHCKN-CQSZACIVSA-N -1 0 307.281 0.520 20 50 DCGDRM N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NCC(=O)[O-] ZINC000821315566 955498460 /nfs/dbraw/zinc/49/84/60/955498460.db2.gz XHYZBKHXTIGXQS-BJMVGYQFSA-N -1 0 304.258 0.043 20 50 DCGDRM COC(=O)c1ccc(C(=O)NN=c2[nH]cccc2C(=O)[O-])[nH]1 ZINC001593876474 955676129 /nfs/dbraw/zinc/67/61/29/955676129.db2.gz ISZYLSVNZMMZHF-UHFFFAOYSA-N -1 0 304.262 0.651 20 50 DCGDRM CCOCC(=O)NNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848594956 955767631 /nfs/dbraw/zinc/76/76/31/955767631.db2.gz CKAKDAAHTQRZOZ-KXUCPTDWSA-N -1 0 315.370 0.489 20 50 DCGDRM CO[C@H](C(=O)[O-])C(=O)NNc1nc2ccccc2[nH]c1=S ZINC001593911436 955968528 /nfs/dbraw/zinc/96/85/28/955968528.db2.gz LCPZOYCKLSTBCN-QMMMGPOBSA-N -1 0 308.319 0.835 20 50 DCGDRM CO[C@@H](C(=O)[O-])C(=O)NNc1cncc(Br)c1 ZINC001593911483 955969616 /nfs/dbraw/zinc/96/96/16/955969616.db2.gz MSODWSPLENRVFW-SSDOTTSWSA-N -1 0 304.100 0.387 20 50 DCGDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NNC(=O)COc1ccc(F)cc1 ZINC001594702602 956816625 /nfs/dbraw/zinc/81/66/25/956816625.db2.gz RAQIKAJTTAKFIO-GHMZBOCLSA-N -1 0 310.281 0.463 20 50 DCGDRM O=C(Cc1ccccc1F)NNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594711463 956885573 /nfs/dbraw/zinc/88/55/73/956885573.db2.gz WBUPTECCCHBQCS-MGCOHNPYSA-N -1 0 309.297 0.562 20 50 DCGDRM C[C@@]1(COC(=O)c2cn(CC(=O)[O-])nn2)C[C@H]1Br ZINC001589245611 956912362 /nfs/dbraw/zinc/91/23/62/956912362.db2.gz LBSGJEIRGYVXFR-XCBNKYQSSA-N -1 0 318.127 0.693 20 50 DCGDRM COc1ccc(C(=O)NNC(=O)CCCC(=O)[O-])cc1OC ZINC000014013171 957095352 /nfs/dbraw/zinc/09/53/52/957095352.db2.gz PZPPWTHONMPFRH-UHFFFAOYSA-N -1 0 310.306 0.720 20 50 DCGDRM C#CCN(CC(=O)[O-])C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C ZINC001588397501 958058139 /nfs/dbraw/zinc/05/81/39/958058139.db2.gz KBUGXIMEWAGKDM-MLPAPPSSSA-N -1 0 310.313 0.659 20 50 DCGDRM Cc1cc(NC(=O)C(=O)NNC(=O)CC(C)C)ccc1C(=O)[O-] ZINC001594314917 958058948 /nfs/dbraw/zinc/05/89/48/958058948.db2.gz QTCSERUDDYZFKO-UHFFFAOYSA-N -1 0 321.333 0.825 20 50 DCGDRM C[C@H](NC(=O)C(C)(C)C)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603215668 972329077 /nfs/dbraw/zinc/32/90/77/972329077.db2.gz JWEMHAFMXKPMOW-QMMMGPOBSA-N -1 0 308.338 0.774 20 50 DCGDRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594219090 959354203 /nfs/dbraw/zinc/35/42/03/959354203.db2.gz BAHLVRZYBLOCDK-BXKDBHETSA-N -1 0 323.324 0.524 20 50 DCGDRM C[C@](O)(CNS(=O)(=O)c1ccc(CCCl)cc1)C(=O)[O-] ZINC001603263122 972448749 /nfs/dbraw/zinc/44/87/49/972448749.db2.gz HKHDKOHKUCUKNB-LBPRGKRZSA-N -1 0 321.782 0.582 20 50 DCGDRM CN(C)c1cccc(C(=O)NNC(=O)C2(C(=O)[O-])CCC2)c1 ZINC001604091352 972492832 /nfs/dbraw/zinc/49/28/32/972492832.db2.gz ZVLVBMKSUFHYPB-UHFFFAOYSA-N -1 0 305.334 0.769 20 50 DCGDRM O=C(C=Cc1ccc(C(=O)[O-])o1)NNC(=O)Cc1cc[nH]n1 ZINC001574513964 961830122 /nfs/dbraw/zinc/83/01/22/961830122.db2.gz PPNDSQJZHKYUIC-DUXPYHPUSA-N -1 0 304.262 0.104 20 50 DCGDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)NNC(=O)c1ccccc1 ZINC000315606619 963919279 /nfs/dbraw/zinc/91/92/79/963919279.db2.gz NPPSQLFLRRFTEZ-HNNXBMFYSA-N -1 0 305.334 0.387 20 50 DCGDRM O=C([O-])C1(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CC1 ZINC001605814877 972541219 /nfs/dbraw/zinc/54/12/19/972541219.db2.gz YAUKMJJBIMBQKE-RYUDHWBXSA-N -1 0 318.329 0.571 20 50 DCGDRM O=C([O-])C1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001605935519 972874199 /nfs/dbraw/zinc/87/41/99/972874199.db2.gz MRMDJMKVMYKLOW-UHFFFAOYSA-N -1 0 309.278 0.919 20 50 DCGDRM COc1ccccc1NC(=S)NNC(=O)C1(C(=O)[O-])CC1 ZINC001604893184 974151981 /nfs/dbraw/zinc/15/19/81/974151981.db2.gz YZZGVSYSMWHQEI-UHFFFAOYSA-N -1 0 309.347 0.878 20 50 DCGDRM CC(C)(C)OC(=O)NCC(=O)NN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000497162626 974263703 /nfs/dbraw/zinc/26/37/03/974263703.db2.gz FQJPUEIZKMRNNV-UHFFFAOYSA-N -1 0 310.310 0.688 20 50 DCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)NCC(F)(F)F ZINC000736376794 978327815 /nfs/dbraw/zinc/32/78/15/978327815.db2.gz XOGMKQLNPRWZFH-YFKPBYRVSA-N -1 0 300.237 0.171 20 50 DCGDRM COc1ccc(NC(=S)NNC(=O)CCNC(=O)[O-])cn1 ZINC000738038337 978469547 /nfs/dbraw/zinc/46/95/47/978469547.db2.gz FAAYWKPVNSMYHI-UHFFFAOYSA-N -1 0 313.339 0.066 20 50 DCGDRM Cc1cc(NC(=O)NNC(=O)[O-])ccc1N1C(=O)CCC1=O ZINC000738444415 978539403 /nfs/dbraw/zinc/53/94/03/978539403.db2.gz QROAGIGPFLTBCV-UHFFFAOYSA-N -1 0 306.278 0.953 20 50 DCGDRM Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738878121 978606405 /nfs/dbraw/zinc/60/64/05/978606405.db2.gz WLFUOVSYCLPZJC-BDAKNGLRSA-N -1 0 302.290 0.124 20 50 DCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)Cc2cccnc2)s1 ZINC000739349504 978631500 /nfs/dbraw/zinc/63/15/00/978631500.db2.gz NSEYUUJIKOEICC-UHFFFAOYSA-N -1 0 305.315 0.845 20 50 DCGDRM O=C([O-])N1CCC[C@H](NC(=O)NNc2cncc(Cl)n2)C1 ZINC000739454751 978640260 /nfs/dbraw/zinc/64/02/60/978640260.db2.gz UFVXJDDZRJQJJN-ZETCQYMHSA-N -1 0 314.733 0.899 20 50 DCGDRM O=C([O-])c1cccc(CC(=O)NNC(=O)Cc2ccccn2)c1 ZINC000833765758 979238465 /nfs/dbraw/zinc/23/84/65/979238465.db2.gz KYJJIVNUKPMHLH-UHFFFAOYSA-N -1 0 313.313 0.712 20 50 DCGDRM CC[C@H](C(=O)[O-])C(=O)NNc1cc(Cl)nc(COC)n1 ZINC001594755137 981664004 /nfs/dbraw/zinc/66/40/04/981664004.db2.gz CARFISPVVKEUDI-LURJTMIESA-N -1 0 302.718 0.830 20 50 DCGDRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)NNC(=O)c1cccs1 ZINC001594763962 981703335 /nfs/dbraw/zinc/70/33/35/981703335.db2.gz BCNNXXOZVSLYEU-ZETCQYMHSA-N -1 0 314.319 0.163 20 50 DCGDRM C[C@H](NC(=O)[C@H](C)NC(=O)NNc1ccc(F)cc1)C(=O)[O-] ZINC001599897781 984774995 /nfs/dbraw/zinc/77/49/95/984774995.db2.gz NJQOOOVYLLRZHE-YUMQZZPRSA-N -1 0 312.301 0.430 20 50 DCGDRM C/C(=C/CNC(=O)NNC(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC001588972818 984797892 /nfs/dbraw/zinc/79/78/92/984797892.db2.gz HDGMTTRXXQTNKR-YFHOEESVSA-N -1 0 320.349 0.728 20 50 DCGDRM CCOCC(=O)NNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001596860511 985625565 /nfs/dbraw/zinc/62/55/65/985625565.db2.gz FOBJHYMLBMKKSC-UHFFFAOYSA-N -1 0 317.248 0.852 20 50 DCGDRM CCO/C=C(\C#N)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001596865042 985676630 /nfs/dbraw/zinc/67/66/30/985676630.db2.gz ZNCYWEJNRQVUJW-USKTWTLRSA-N -1 0 319.321 0.584 20 50 DCGDRM C[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N1CCN(C)CC1 ZINC001589422374 986664936 /nfs/dbraw/zinc/66/49/36/986664936.db2.gz FRQSJKOBVMEZRP-JTQLQIEISA-N -1 0 324.356 0.603 20 50 DCGDRM CC(C)(C(=O)[O-])n1cc(NC(=O)NNC(=O)c2ccoc2)cn1 ZINC001589666263 987650769 /nfs/dbraw/zinc/65/07/69/987650769.db2.gz BZZPICGTTLVKEH-UHFFFAOYSA-N -1 0 321.293 0.762 20 50 DCGDRM CC(C)(C)c1ccc(OCCNC(=O)NNC(=O)C(=O)[O-])cc1 ZINC001590498378 990107083 /nfs/dbraw/zinc/10/70/83/990107083.db2.gz YGIBEIBHZRTGKX-UHFFFAOYSA-N -1 0 323.349 0.778 20 50 DCGDRM CC(C)(C)n1nnc(C(=O)NNc2ccccc2C(=O)[O-])n1 ZINC001590609795 990276987 /nfs/dbraw/zinc/27/69/87/990276987.db2.gz SBWUQQMWDNVHLK-UHFFFAOYSA-N -1 0 304.310 0.883 20 50 DCGDRM 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QRLSPVNDEOBQRP-JTQLQIEISA-N -1 0 310.285 0.381 20 50 DCGDRM CNC(=O)NNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001598650799 994438461 /nfs/dbraw/zinc/43/84/61/994438461.db2.gz MJVBGEDWDYLAIP-UHFFFAOYSA-N -1 0 303.278 0.144 20 50 DCGDRM COC(=O)C(=O)NN[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001598684005 994978248 /nfs/dbraw/zinc/97/82/48/994978248.db2.gz FOQWKLAAGUAMCL-VIFPVBQESA-N -1 0 300.698 0.130 20 50 DCGDRM C[C@@H](O)c1cn(CC(=O)NNc2ccc(CC(=O)[O-])cc2)nn1 ZINC001593477400 995418867 /nfs/dbraw/zinc/41/88/67/995418867.db2.gz QQXNUDPNIAQFCZ-SECBINFHSA-N -1 0 319.321 0.102 20 50 DCGDRM C[C@]1(C(=O)NNC(=O)c2cccc(CC(=O)[O-])c2)CCCO1 ZINC001593755239 996402472 /nfs/dbraw/zinc/40/24/72/996402472.db2.gz PEFBHDPUEFEJDZ-OAHLLOKOSA-N -1 0 306.318 0.644 20 50 DCGDRM COC(=O)NCCNC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001598885498 996888691 /nfs/dbraw/zinc/88/86/91/996888691.db2.gz WOXJALAKQKRCEF-UHFFFAOYSA-N -1 0 314.273 0.506 20 50 DCGDRM COc1cc(C)[nH]c(=NNC(=O)CCc2ocnc2C(=O)[O-])n1 ZINC001599394629 997102453 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O=C([O-])C=Cc1cc(C(=O)NNC(=O)Nc2ccncc2)co1 ZINC001606065232 973208418 /nfs/dbraw/zinc/20/84/18/973208418.db2.gz WZQGONQKTMONCJ-OWOJBTEDSA-N -1 0 316.273 0.661 20 50 DCGDRM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)C(=O)[O-])c1C ZINC001605345405 973242220 /nfs/dbraw/zinc/24/22/20/973242220.db2.gz XKNUQKHFXYJXBN-MNOVXSKESA-N -1 0 308.334 0.939 20 50 DCGDRM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603479591 973377096 /nfs/dbraw/zinc/37/70/96/973377096.db2.gz GACINHVFUSBEDO-SKDRFNHKSA-N -1 0 321.333 0.640 20 50 DCGDRM CC[C@@H](CNC(=O)NNC(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC001603561362 973676789 /nfs/dbraw/zinc/67/67/89/973676789.db2.gz MBXSXXBZHFWNMF-JTQLQIEISA-N -1 0 311.313 0.809 20 50 DCGDRM CC(C)(NC(=O)[O-])C(=O)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000736336505 978319996 /nfs/dbraw/zinc/31/99/96/978319996.db2.gz GCQBEDQWJMYLRV-SNVBAGLBSA-N -1 0 323.305 0.020 20 50 DCGDRM CC(C)(NC(=O)[O-])C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736337835 978321286 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O=C([O-])Nc1ccccc1C(=O)NNC(=O)N1CCOCC1 ZINC000740045845 978664888 /nfs/dbraw/zinc/66/48/88/978664888.db2.gz NNUXSOBZIQHPCD-UHFFFAOYSA-N -1 0 308.294 0.463 20 50 DCGDRM O=C([O-])c1cc(C=NNC(=O)[C@@H]2CCc3nncn3C2)c[nH]1 ZINC000814938439 978899624 /nfs/dbraw/zinc/89/96/24/978899624.db2.gz LIAFHABEALOWCJ-SECBINFHSA-N -1 0 302.294 0.017 20 50 DCGDRM C[C@@H](CNC(=O)NNC(=O)C(=O)[O-])Oc1ccc(Cl)cc1 ZINC001592675200 979086768 /nfs/dbraw/zinc/08/67/68/979086768.db2.gz ATMMXMFXIKFXLC-ZETCQYMHSA-N -1 0 315.713 0.522 20 50 DCGDRM C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001592823162 979533298 /nfs/dbraw/zinc/53/32/98/979533298.db2.gz YXQMYFCKNJRXKR-AOUSDQRYSA-N -1 0 313.379 0.707 20 50 DCGDRM C[C@@H](Cn1cncn1)NC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001592932315 979988710 /nfs/dbraw/zinc/98/87/10/979988710.db2.gz YTFMZWVXNSYPIG-QMMMGPOBSA-N -1 0 322.300 0.830 20 50 DCGDRM CC[C@@H](C(=O)[O-])C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001594755546 981667140 /nfs/dbraw/zinc/66/71/40/981667140.db2.gz 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