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CCOC(=O)c1cc(NC(=O)[C@H]2CCc3nncn3C2)n[n-]1 ZINC000563462526 412429659 /nfs/dbraw/zinc/42/96/59/412429659.db2.gz HLAASPHNTFXKFF-QMMMGPOBSA-N -1 3 304.310 0.379 20 0 DBADHM CCOC(=O)c1cc(NC(=O)[C@H]2CCc3nncn3C2)[n-]n1 ZINC000563462526 412429661 /nfs/dbraw/zinc/42/96/61/412429661.db2.gz HLAASPHNTFXKFF-QMMMGPOBSA-N -1 3 304.310 0.379 20 0 DBADHM CCOC(=O)c1cc(NC(=O)[C@H](O)Cc2cnn(C)c2)n[n-]1 ZINC000530336901 412429675 /nfs/dbraw/zinc/42/96/75/412429675.db2.gz PNMUGSOTFHQUIG-SNVBAGLBSA-N -1 3 307.310 -0.138 20 0 DBADHM CCOC(=O)c1cc(NC(=O)[C@H](O)Cc2cnn(C)c2)[n-]n1 ZINC000530336901 412429678 /nfs/dbraw/zinc/42/96/78/412429678.db2.gz PNMUGSOTFHQUIG-SNVBAGLBSA-N -1 3 307.310 -0.138 20 0 DBADHM CCOC(=O)c1cc(NC(=O)Cn2cc(C(=O)OC)cn2)n[n-]1 ZINC000599738150 412430019 /nfs/dbraw/zinc/43/00/19/412430019.db2.gz RASMJEPJUUAQSU-UHFFFAOYSA-N -1 3 321.293 0.208 20 0 DBADHM CCOC(=O)c1cc(NC(=O)Cn2cc(C(=O)OC)cn2)[n-]n1 ZINC000599738150 412430020 /nfs/dbraw/zinc/43/00/20/412430020.db2.gz 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Cn1nnn(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC001570919402 948587296 /nfs/dbraw/zinc/58/72/96/948587296.db2.gz SOTHGWOPJKITAN-UHFFFAOYSA-N -1 3 315.297 -0.814 20 0 DBADHM Cn1nnn(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC001570919402 948587303 /nfs/dbraw/zinc/58/73/03/948587303.db2.gz SOTHGWOPJKITAN-UHFFFAOYSA-N -1 3 315.297 -0.814 20 0 DBADHM O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001570919619 948589857 /nfs/dbraw/zinc/58/98/57/948589857.db2.gz XHVBEFBFDJFUJA-AOOOYVTPSA-N -1 3 315.337 -0.018 20 0 DBADHM O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001570919619 948589863 /nfs/dbraw/zinc/58/98/63/948589863.db2.gz XHVBEFBFDJFUJA-AOOOYVTPSA-N -1 3 315.337 -0.018 20 0 DBADHM COc1cc(C(=O)N=c2nc(C)[nH]n2C)ccc1-c1nnn[n-]1 ZINC001570920319 948597116 /nfs/dbraw/zinc/59/71/16/948597116.db2.gz JMIXMJJOGSLDHN-UHFFFAOYSA-N -1 3 314.309 -0.014 20 0 DBADHM COc1cc(C(=O)N=c2nc(C)[nH]n2C)ccc1-c1nn[n-]n1 ZINC001570920319 948597120 /nfs/dbraw/zinc/59/71/20/948597120.db2.gz JMIXMJJOGSLDHN-UHFFFAOYSA-N -1 3 314.309 -0.014 20 0 DBADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1cncnc1 ZINC001570920625 948603173 /nfs/dbraw/zinc/60/31/73/948603173.db2.gz WFDCXUKXTOCUAK-UHFFFAOYSA-N -1 3 313.281 -0.364 20 0 DBADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1cncnc1 ZINC001570920625 948603178 /nfs/dbraw/zinc/60/31/78/948603178.db2.gz WFDCXUKXTOCUAK-UHFFFAOYSA-N -1 3 313.281 -0.364 20 0 DBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001570920818 948608542 /nfs/dbraw/zinc/60/85/42/948608542.db2.gz DAXVFGWCNFVSFV-OIBJUYFYSA-N -1 3 317.309 -0.235 20 0 DBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001570920818 948608543 /nfs/dbraw/zinc/60/85/43/948608543.db2.gz DAXVFGWCNFVSFV-OIBJUYFYSA-N -1 3 317.309 -0.235 20 0 DBADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC001570921444 948620795 /nfs/dbraw/zinc/62/07/95/948620795.db2.gz ARGOVFJPCOOFKM-SECBINFHSA-N -1 3 319.369 -0.358 20 0 DBADHM CC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](C)CO ZINC001570921616 948624972 /nfs/dbraw/zinc/62/49/72/948624972.db2.gz IBGFMZJXFGEPGR-MRVPVSSYSA-N -1 3 318.341 -0.182 20 0 DBADHM CC[N@@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)[C@H](C)CO ZINC001570921616 948624975 /nfs/dbraw/zinc/62/49/75/948624975.db2.gz IBGFMZJXFGEPGR-MRVPVSSYSA-N -1 3 318.341 -0.182 20 0 DBADHM O=S(=O)(c1cncc(-c2nnn[n-]2)c1)N1Cc2c[nH]nc2C1 ZINC001570921703 948626045 /nfs/dbraw/zinc/62/60/45/948626045.db2.gz LRMWGBLHSBRYIC-UHFFFAOYSA-N -1 3 318.322 -0.311 20 0 DBADHM O=S(=O)(c1cncc(-c2nn[n-]n2)c1)N1Cc2c[nH]nc2C1 ZINC001570921703 948626052 /nfs/dbraw/zinc/62/60/52/948626052.db2.gz LRMWGBLHSBRYIC-UHFFFAOYSA-N -1 3 318.322 -0.311 20 0 DBADHM Cc1ccc(CNC(=O)N[C@@H]2COC[C@H]2O)cc1-c1nnn[n-]1 ZINC001570921872 948629569 /nfs/dbraw/zinc/62/95/69/948629569.db2.gz PSOLBBDWUWSVPD-VXGBXAGGSA-N -1 3 318.337 -0.266 20 0 DBADHM Cc1ccc(CNC(=O)N[C@@H]2COC[C@H]2O)cc1-c1nn[n-]n1 ZINC001570921872 948629574 /nfs/dbraw/zinc/62/95/74/948629574.db2.gz PSOLBBDWUWSVPD-VXGBXAGGSA-N -1 3 318.337 -0.266 20 0 DBADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001570923212 948656800 /nfs/dbraw/zinc/65/68/00/948656800.db2.gz VTLCCYRQPILLBU-VXNVDRBHSA-N -1 3 324.366 -0.191 20 0 DBADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001570923212 948656804 /nfs/dbraw/zinc/65/68/04/948656804.db2.gz VTLCCYRQPILLBU-VXNVDRBHSA-N -1 3 324.366 -0.191 20 0 DBADHM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCN1CCC(O)CC1 ZINC001570923385 948659854 /nfs/dbraw/zinc/65/98/54/948659854.db2.gz ZAODEHDMBSRBRJ-UHFFFAOYSA-N -1 3 320.353 -0.045 20 0 DBADHM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCN1CCC(O)CC1 ZINC001570923385 948659859 /nfs/dbraw/zinc/65/98/59/948659859.db2.gz ZAODEHDMBSRBRJ-UHFFFAOYSA-N -1 3 320.353 -0.045 20 0 DBADHM COC[C@](C)(NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C(=O)OC ZINC001570930157 948801556 /nfs/dbraw/zinc/80/15/56/948801556.db2.gz FFWLZJFJLZKPNE-ZDUSSCGKSA-N -1 3 322.325 -0.189 20 0 DBADHM COC[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C(=O)OC ZINC001570930157 948801574 /nfs/dbraw/zinc/80/15/74/948801574.db2.gz FFWLZJFJLZKPNE-ZDUSSCGKSA-N -1 3 322.325 -0.189 20 0 DBADHM O=C(NC[C@@H]1COCCN1CCF)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001570930247 948804734 /nfs/dbraw/zinc/80/47/34/948804734.db2.gz HGVZEPHUSWEUTL-SNVBAGLBSA-N -1 3 323.332 -0.405 20 0 DBADHM O=C(NC[C@@H]1COCCN1CCF)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001570930247 948804750 /nfs/dbraw/zinc/80/47/50/948804750.db2.gz HGVZEPHUSWEUTL-SNVBAGLBSA-N -1 3 323.332 -0.405 20 0 DBADHM CC(C)(C(=O)NCc1cncc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573782830 949134478 /nfs/dbraw/zinc/13/44/78/949134478.db2.gz LLNRMMPBFACYLU-UHFFFAOYSA-N -1 3 324.366 -0.299 20 0 DBADHM CC(C)(C(=O)NCc1cncc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573782830 949134491 /nfs/dbraw/zinc/13/44/91/949134491.db2.gz LLNRMMPBFACYLU-UHFFFAOYSA-N -1 3 324.366 -0.299 20 0 DBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575867304 949435068 /nfs/dbraw/zinc/43/50/68/949435068.db2.gz JDLSLCDZZJKGTO-KOLCDFICSA-N -1 3 317.353 -0.097 20 0 DBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575867304 949435094 /nfs/dbraw/zinc/43/50/94/949435094.db2.gz JDLSLCDZZJKGTO-KOLCDFICSA-N -1 3 317.353 -0.097 20 0 DBADHM C[C@@H]1CCCN(CCS(=O)(=O)CCC(N)=O)[C@@H]1C(=O)[O-] ZINC000235290233 949857440 /nfs/dbraw/zinc/85/74/40/949857440.db2.gz MZCZYHPCZGKLJK-KOLCDFICSA-N -1 3 306.384 -0.538 20 0 DBADHM CC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575577374 950080415 /nfs/dbraw/zinc/08/04/15/950080415.db2.gz VIHHEMMRSNVORH-JTQLQIEISA-N -1 3 317.353 -0.049 20 0 DBADHM CC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575577374 950080442 /nfs/dbraw/zinc/08/04/42/950080442.db2.gz VIHHEMMRSNVORH-JTQLQIEISA-N -1 3 317.353 -0.049 20 0 DBADHM C[C@@H]1CCCN(CCS(=O)(=O)CCC(N)=O)[C@H]1C(=O)[O-] ZINC000300295117 950541750 /nfs/dbraw/zinc/54/17/50/950541750.db2.gz MZCZYHPCZGKLJK-MWLCHTKSSA-N -1 3 306.384 -0.538 20 0 DBADHM C[C@@H](CNC(=O)c1ccn[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575005583 950692562 /nfs/dbraw/zinc/69/25/62/950692562.db2.gz IGAKAHXDPATCJD-ZETCQYMHSA-N -1 3 314.313 -0.390 20 0 DBADHM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575626401 950708140 /nfs/dbraw/zinc/70/81/40/950708140.db2.gz ZLCWETQOKBIPAX-RKDXNWHRSA-N -1 3 324.366 -0.301 20 0 DBADHM CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575626401 950708159 /nfs/dbraw/zinc/70/81/59/950708159.db2.gz ZLCWETQOKBIPAX-RKDXNWHRSA-N -1 3 324.366 -0.301 20 0 DBADHM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575626399 950709762 /nfs/dbraw/zinc/70/97/62/950709762.db2.gz ZLCWETQOKBIPAX-DTWKUNHWSA-N -1 3 324.366 -0.301 20 0 DBADHM CC1(C)[C@H](O)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575626399 950709780 /nfs/dbraw/zinc/70/97/80/950709780.db2.gz ZLCWETQOKBIPAX-DTWKUNHWSA-N -1 3 324.366 -0.301 20 0 DBADHM O=C([O-])CC1(C(=O)N[C@@H](CO)CN2CCCC2)CCOCC1 ZINC001594973122 950883361 /nfs/dbraw/zinc/88/33/61/950883361.db2.gz LMTRIZVVXQTNJN-GFCCVEGCSA-N -1 3 314.382 -0.169 20 0 DBADHM C[C@@H]1CC(=O)NN1C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001575936917 950929811 /nfs/dbraw/zinc/92/98/11/950929811.db2.gz ARKURGAGMZJERF-ZJUUUORDSA-N -1 3 318.337 -0.268 20 0 DBADHM C[C@@H]1CC(=O)NN1C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001575936917 950929822 /nfs/dbraw/zinc/92/98/22/950929822.db2.gz ARKURGAGMZJERF-ZJUUUORDSA-N -1 3 318.337 -0.268 20 0 DBADHM O=C([O-])CN1CCC(NS(=O)(=O)N2CCCCC2)CC1 ZINC001595081153 951680031 /nfs/dbraw/zinc/68/00/31/951680031.db2.gz NRQPNHIIBZSOBK-UHFFFAOYSA-N -1 3 305.400 -0.144 20 0 DBADHM O=C([O-])COCC(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001595108295 951898819 /nfs/dbraw/zinc/89/88/19/951898819.db2.gz SVELYAMBRMZZKF-NEPJUHHUSA-N -1 3 300.355 -0.418 20 0 DBADHM O=C([O-])CS(=O)(=O)CCN[C@@H]1CCN(CC(F)(F)F)C1 ZINC001595124041 951994583 /nfs/dbraw/zinc/99/45/83/951994583.db2.gz IUDFYMADNRMXSI-MRVPVSSYSA-N -1 3 318.317 -0.288 20 0 DBADHM C[C@H]1CCC[N@H+](Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]1C(=O)[O-] ZINC001589333962 953972297 /nfs/dbraw/zinc/97/22/97/953972297.db2.gz HZGRRECBZNBBBN-XVKPBYJWSA-N -1 3 306.326 -0.315 20 0 DBADHM C[C@H]1CCC[N@@H+](Cc2cc(=O)n3nc(N)[n-]c3n2)[C@@H]1C(=O)[O-] ZINC001589333962 953972309 /nfs/dbraw/zinc/97/23/09/953972309.db2.gz HZGRRECBZNBBBN-XVKPBYJWSA-N -1 3 306.326 -0.315 20 0 DBADHM CN(C)[C@@]1(CNC(=O)C(=O)NCCC(=O)[O-])CCSC1 ZINC001593693698 954058629 /nfs/dbraw/zinc/05/86/29/954058629.db2.gz SKQHWIYJFUEKPP-GFCCVEGCSA-N -1 3 303.384 -0.869 20 0 DBADHM CN(C)CCN(CC(=O)N(C)C)Cc1cc(C(=O)[O-])nn1C ZINC001593697509 954086070 /nfs/dbraw/zinc/08/60/70/954086070.db2.gz QHLLEXUUEIJGTG-UHFFFAOYSA-N -1 3 311.386 -0.430 20 0 DBADHM C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC001589353204 954099636 /nfs/dbraw/zinc/09/96/36/954099636.db2.gz LFUYHTUZQVPQMT-JTQLQIEISA-N -1 3 323.353 -0.636 20 0 DBADHM CN(C)CCN1CCN(C(=O)C2(CC(=O)[O-])CCC2)CC1=O ZINC001593701508 954116581 /nfs/dbraw/zinc/11/65/81/954116581.db2.gz AZNPLLYYEXTJTF-UHFFFAOYSA-N -1 3 311.382 -0.136 20 0 DBADHM 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20 0 DBADHM COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599160706 1017534606 /nfs/dbraw/zinc/53/46/06/1017534606.db2.gz IRRLEQBKIMIAED-OUAUKWLOSA-N -1 3 315.370 -0.110 20 0 DBADHM COC[C@@H](CNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)OC ZINC001599163313 1017536528 /nfs/dbraw/zinc/53/65/28/1017536528.db2.gz FKMCHWFFBKRTDY-WDEREUQCSA-N -1 3 303.359 -0.694 20 0 DBADHM COC[C@@H](CCNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)OC ZINC001599162608 1017536793 /nfs/dbraw/zinc/53/67/93/1017536793.db2.gz CMJUAUXWYFLPHF-VXGBXAGGSA-N -1 3 317.386 -0.304 20 0 DBADHM COC[C@H](CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1)OC ZINC001599163965 1017537868 /nfs/dbraw/zinc/53/78/68/1017537868.db2.gz ZFNWRPWNLHRLCS-GXTWGEPZSA-N -1 3 302.371 -0.491 20 0 DBADHM COC[C@@]1(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)CCOC1 ZINC001599183971 1017546365 /nfs/dbraw/zinc/54/63/65/1017546365.db2.gz JKACZEPKHFLHNE-FZMZJTMJSA-N -1 3 300.355 -0.486 20 0 DBADHM COCC[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)[O-] ZINC001599216188 1017558957 /nfs/dbraw/zinc/55/89/57/1017558957.db2.gz YVQCPHDBJAIFOO-QWRGUYRKSA-N -1 3 315.370 -0.998 20 0 DBADHM COCc1cc(C(=O)[O-])cc(S(=O)(=O)NC2CNC2)c1 ZINC001599278730 1017581633 /nfs/dbraw/zinc/58/16/33/1017581633.db2.gz CGTRYVZAOZAVOR-UHFFFAOYSA-N -1 3 300.336 -0.219 20 0 DBADHM C[C@@H](CNCc1cc(=O)n2[n-]ccc2n1)NC(=O)CC(C)(C)O ZINC001498037993 1017588262 /nfs/dbraw/zinc/58/82/62/1017588262.db2.gz KZFZQXIILYBYHM-JTQLQIEISA-N -1 3 321.381 -0.222 20 0 DBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@H](Cc1cncs1)C(=O)[O-] ZINC001599324658 1017593058 /nfs/dbraw/zinc/59/30/58/1017593058.db2.gz RBIBKGFPFYRFSY-KXUCPTDWSA-N -1 3 320.392 -0.460 20 0 DBADHM COc1cc(=O)[nH]cc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001599349151 1017595597 /nfs/dbraw/zinc/59/55/97/1017595597.db2.gz LGTXZJDVAORPHN-SECBINFHSA-N -1 3 309.322 -0.116 20 0 DBADHM Cc1noc(CCC(=O)N[C@@H](C)CNCc2nc(=O)n(C)[n-]2)n1 ZINC001498083623 1017607810 /nfs/dbraw/zinc/60/78/10/1017607810.db2.gz YGQCIWHPNBPWJN-QMMMGPOBSA-N -1 3 323.357 -0.973 20 0 DBADHM COc1cccc([C@H](NCCNS(C)(=O)=O)C(=O)[O-])c1 ZINC001599688025 1017609048 /nfs/dbraw/zinc/60/90/48/1017609048.db2.gz MIZNPZIYPHOFBN-NSHDSACASA-N -1 3 302.352 -0.040 20 0 DBADHM CCCOCC(=O)NC1CN(C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001498121602 1017629587 /nfs/dbraw/zinc/62/95/87/1017629587.db2.gz KWNMTHUWWPVYIG-UHFFFAOYSA-N -1 3 308.338 -0.142 20 0 DBADHM CCn1ncc(C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[n-]2)c1C ZINC001498140608 1017640983 /nfs/dbraw/zinc/64/09/83/1017640983.db2.gz YYVVEHBMFGYOTL-VIFPVBQESA-N -1 3 321.385 -0.459 20 0 DBADHM C[C@@H]1C[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)O[C@H]1C(=O)[O-] ZINC001599873238 1017650803 /nfs/dbraw/zinc/65/08/03/1017650803.db2.gz GWKSIQCBMROGJX-UJPOAAIJSA-N -1 3 312.366 -0.468 20 0 DBADHM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](N2CC=CC2)C1)C(=O)[O-] ZINC001599898315 1017656803 /nfs/dbraw/zinc/65/68/03/1017656803.db2.gz VBNHVVKTJLIADR-SDDRHHMPSA-N -1 3 324.381 -0.380 20 0 DBADHM Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001599968078 1017673432 /nfs/dbraw/zinc/67/34/32/1017673432.db2.gz JXCVQCUTJZUQEF-DBIOUOCHSA-N -1 3 320.349 -0.255 20 0 DBADHM Cc1[nH]nc(S(=O)(=O)[N-]CCOCC[NH+](C)C)c1C(=O)[O-] ZINC001600673508 1017714773 /nfs/dbraw/zinc/71/47/73/1017714773.db2.gz HFIRWFFRVMFSDI-UHFFFAOYSA-N -1 3 320.371 -0.727 20 0 DBADHM C[C@H](CN(C)Cc1cnn(C)n1)NC(=O)c1cnc[n-]c1=O ZINC001498309619 1017727399 /nfs/dbraw/zinc/72/73/99/1017727399.db2.gz CJZKPHIBFVBXAV-SECBINFHSA-N -1 3 305.342 -0.439 20 0 DBADHM Cc1nn(CCO)c(C)c1CNCCC(=O)NCCC(=O)[O-] ZINC001600788652 1017730089 /nfs/dbraw/zinc/73/00/89/1017730089.db2.gz ZZEMSQOIAZMDRR-UHFFFAOYSA-N -1 3 312.370 -0.437 20 0 DBADHM Cn1cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1C(=O)[O-] ZINC001600969057 1017760245 /nfs/dbraw/zinc/76/02/45/1017760245.db2.gz RNFOUFGGTZXIET-VIFPVBQESA-N -1 3 323.321 -0.001 20 0 DBADHM Cn1cnc(S(=O)(=O)N2CCCNC[C@@H]2C(=O)[O-])c1Cl ZINC001600990842 1017770614 /nfs/dbraw/zinc/77/06/14/1017770614.db2.gz FKCBPCOXOXQBES-SSDOTTSWSA-N -1 3 322.774 -0.489 20 0 DBADHM C[C@@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn[nH]1 ZINC001498386154 1017770633 /nfs/dbraw/zinc/77/06/33/1017770633.db2.gz OKHASZADYADMDU-QMMMGPOBSA-N -1 3 308.346 -0.802 20 0 DBADHM Cn1nc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1C(=O)[O-] ZINC001601013907 1017783716 /nfs/dbraw/zinc/78/37/16/1017783716.db2.gz HBTXECCTJDZXHN-DTWKUNHWSA-N -1 3 309.326 -0.599 20 0 DBADHM NC(=O)CCCCC(=O)NC1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001498421623 1017800057 /nfs/dbraw/zinc/80/00/57/1017800057.db2.gz MJICGKNUVFOZIV-UHFFFAOYSA-N -1 3 321.337 -0.832 20 0 DBADHM NC(=O)[C@@H](Cc1ccc(F)cc1)NCCn1cc(C(=O)[O-])nn1 ZINC001601137589 1017808770 /nfs/dbraw/zinc/80/87/70/1017808770.db2.gz AFVZIPPXVAJVBC-LLVKDONJSA-N -1 3 321.312 -0.198 20 0 DBADHM NC(=O)[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H]1C(N)=O ZINC001601146105 1017810770 /nfs/dbraw/zinc/81/07/70/1017810770.db2.gz MMQUCWKMLBKTKA-AOOOYVTPSA-N -1 3 309.297 -0.458 20 0 DBADHM NC(=O)Cn1cc(CN[C@@H](CC(=O)[O-])Cc2ccccc2)nn1 ZINC001601154527 1017814443 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DBADHM COc1c(C(=O)N(C)CCCNCc2n[nH]c(=O)[n-]2)cnn1C ZINC001498647611 1017844106 /nfs/dbraw/zinc/84/41/06/1017844106.db2.gz KYFKQUMCYUFXBB-UHFFFAOYSA-N -1 3 323.357 -0.496 20 0 DBADHM O=C([O-])c1cnn(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC001601379658 1017844064 /nfs/dbraw/zinc/84/40/64/1017844064.db2.gz DMUKEHXRQALFJQ-RYUDHWBXSA-N -1 3 308.338 -0.439 20 0 DBADHM O=C([O-])c1ccn(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC001601384095 1017844743 /nfs/dbraw/zinc/84/47/43/1017844743.db2.gz FAFZWTSXMDZNIR-GFCCVEGCSA-N -1 3 322.365 -0.049 20 0 DBADHM Cn1cc(C(=O)N[C@@H](CNCc2nc(=O)n(C)[n-]2)C2CC2)cn1 ZINC001498725909 1017854616 /nfs/dbraw/zinc/85/46/16/1017854616.db2.gz YVFLMNPUNAHHBX-NSHDSACASA-N -1 3 319.369 -0.860 20 0 DBADHM O=C([O-])[C@H](NC[C@H](O)CN1CCOCC1)c1cccc(O)c1 ZINC001601669511 1017865965 /nfs/dbraw/zinc/86/59/65/1017865965.db2.gz KWWFKCFUTSSCIY-UONOGXRCSA-N -1 3 310.350 -0.199 20 0 DBADHM O=C([O-])C1(O)CN(C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC001601722890 1017869875 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1018255395 /nfs/dbraw/zinc/25/53/95/1018255395.db2.gz YKFRBZLUQLWJBS-GHMZBOCLSA-N -1 3 316.369 -0.044 20 0 DBADHM C[C@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001603938342 1018264884 /nfs/dbraw/zinc/26/48/84/1018264884.db2.gz WZJWYSRTWBIWTK-VIFPVBQESA-N -1 3 305.342 -0.667 20 0 DBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CCC1=O ZINC001603940176 1018265259 /nfs/dbraw/zinc/26/52/59/1018265259.db2.gz ZMRMSHOETNYCOO-MRVPVSSYSA-N -1 3 322.350 -0.139 20 0 DBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CCC1=O ZINC001603940176 1018265275 /nfs/dbraw/zinc/26/52/75/1018265275.db2.gz ZMRMSHOETNYCOO-MRVPVSSYSA-N -1 3 322.350 -0.139 20 0 DBADHM C[C@H]1CN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC[C@@H]1O ZINC001603938425 1018265719 /nfs/dbraw/zinc/26/57/19/1018265719.db2.gz LKMVQHCJAACTLM-KWQFWETISA-N -1 3 324.366 -0.347 20 0 DBADHM C[C@H]1CN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC[C@@H]1O ZINC001603938425 1018265726 /nfs/dbraw/zinc/26/57/26/1018265726.db2.gz LKMVQHCJAACTLM-KWQFWETISA-N -1 3 324.366 -0.347 20 0 DBADHM C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001603938340 1018265778 /nfs/dbraw/zinc/26/57/78/1018265778.db2.gz WZJWYSRTWBIWTK-SECBINFHSA-N -1 3 305.342 -0.667 20 0 DBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)CC(=O)N1 ZINC001603931691 1018265895 /nfs/dbraw/zinc/26/58/95/1018265895.db2.gz QARKDQUPSKSLDT-SSDOTTSWSA-N -1 3 304.285 -0.034 20 0 DBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)CC(=O)N1 ZINC001603931691 1018265904 /nfs/dbraw/zinc/26/59/04/1018265904.db2.gz QARKDQUPSKSLDT-SSDOTTSWSA-N -1 3 304.285 -0.034 20 0 DBADHM C[C@@H]1CN(CCNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)CO1 ZINC001603936131 1018266392 /nfs/dbraw/zinc/26/63/92/1018266392.db2.gz HWQUNECRVAFBLM-VHSXEESVSA-N -1 3 304.358 -0.400 20 0 DBADHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cnccc1-c1nnn[n-]1 ZINC001603954587 1018268972 /nfs/dbraw/zinc/26/89/72/1018268972.db2.gz OQIYUZFLHLTFSW-AMIZOPFISA-N -1 3 304.310 -0.469 20 0 DBADHM C[C@H]1OCC[C@@]1(O)CNC(=O)c1cnccc1-c1nn[n-]n1 ZINC001603954587 1018268982 /nfs/dbraw/zinc/26/89/82/1018268982.db2.gz OQIYUZFLHLTFSW-AMIZOPFISA-N -1 3 304.310 -0.469 20 0 DBADHM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001603956207 1018271729 /nfs/dbraw/zinc/27/17/29/1018271729.db2.gz WRDZBGDNXGOHOQ-RCOVLWMOSA-N -1 3 303.282 -0.625 20 0 DBADHM C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001603956207 1018271739 /nfs/dbraw/zinc/27/17/39/1018271739.db2.gz WRDZBGDNXGOHOQ-RCOVLWMOSA-N -1 3 303.282 -0.625 20 0 DBADHM CC[C@H](CN1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001604029693 1018282973 /nfs/dbraw/zinc/28/29/73/1018282973.db2.gz UQLMBSDKMMKUIS-SNVBAGLBSA-N -1 3 304.358 -0.399 20 0 DBADHM CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001604039598 1018284584 /nfs/dbraw/zinc/28/45/84/1018284584.db2.gz MGGRWLPCWWWNSC-VIFPVBQESA-N -1 3 319.325 -0.259 20 0 DBADHM CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001604039598 1018284601 /nfs/dbraw/zinc/28/46/01/1018284601.db2.gz MGGRWLPCWWWNSC-VIFPVBQESA-N -1 3 319.325 -0.259 20 0 DBADHM 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/nfs/dbraw/zinc/29/91/96/1018299196.db2.gz RVFPHLREBQROLS-PSASIEDQSA-N -1 3 324.366 -0.347 20 0 DBADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001604148262 1018307325 /nfs/dbraw/zinc/30/73/25/1018307325.db2.gz YVPDOFJIJKWZCB-SECBINFHSA-N -1 3 319.325 -0.523 20 0 DBADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001604148262 1018307334 /nfs/dbraw/zinc/30/73/34/1018307334.db2.gz YVPDOFJIJKWZCB-SECBINFHSA-N -1 3 319.325 -0.523 20 0 DBADHM C[C@@H](CN(Cc1cc(=O)n2nc(N)[nH]c2n1)C1CC1)C(=O)[O-] ZINC001604160574 1018310846 /nfs/dbraw/zinc/31/08/46/1018310846.db2.gz ADXQGJFISVZPOB-ZETCQYMHSA-N -1 3 306.326 -0.315 20 0 DBADHM CCCN(CC(N)=O)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001604200693 1018318800 /nfs/dbraw/zinc/31/88/00/1018318800.db2.gz RGGDYOGVOOTSOJ-UHFFFAOYSA-N -1 3 303.326 -0.092 20 0 DBADHM CCCN(CC(N)=O)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001604200693 1018318816 /nfs/dbraw/zinc/31/88/16/1018318816.db2.gz RGGDYOGVOOTSOJ-UHFFFAOYSA-N -1 3 303.326 -0.092 20 0 DBADHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001604248711 1018331429 /nfs/dbraw/zinc/33/14/29/1018331429.db2.gz HLGYLRKZLUSYOZ-NSHDSACASA-N -1 3 324.385 -0.143 20 0 DBADHM C[C@H](Cn1cncn1)NC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001604248710 1018332620 /nfs/dbraw/zinc/33/26/20/1018332620.db2.gz HLGYLRKZLUSYOZ-LLVKDONJSA-N -1 3 324.385 -0.143 20 0 DBADHM COC(=O)C[C@@](C)(NCCS(=O)(=O)CC(=O)[O-])C1CC1 ZINC001604299912 1018346166 /nfs/dbraw/zinc/34/61/66/1018346166.db2.gz YWYCYJNEDDLYHS-GFCCVEGCSA-N -1 3 307.368 -0.193 20 0 DBADHM CCN1CCOC[C@@H]1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001604345868 1018354938 /nfs/dbraw/zinc/35/49/38/1018354938.db2.gz LUJDZVVRMJRFFQ-GFCCVEGCSA-N -1 3 317.353 -0.401 20 0 DBADHM CCN1CCOC[C@@H]1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001604345868 1018354949 /nfs/dbraw/zinc/35/49/49/1018354949.db2.gz LUJDZVVRMJRFFQ-GFCCVEGCSA-N -1 3 317.353 -0.401 20 0 DBADHM CCNC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001604353303 1018357667 /nfs/dbraw/zinc/35/76/67/1018357667.db2.gz YENMAIYTMNOMNW-UHFFFAOYSA-N -1 3 316.369 -0.480 20 0 DBADHM CCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001604353303 1018357682 /nfs/dbraw/zinc/35/76/82/1018357682.db2.gz YENMAIYTMNOMNW-UHFFFAOYSA-N -1 3 316.369 -0.480 20 0 DBADHM CCNC(=O)CN1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001604352639 1018358041 /nfs/dbraw/zinc/35/80/41/1018358041.db2.gz GENDZZUJGAEINR-LLVKDONJSA-N -1 3 317.353 -0.149 20 0 DBADHM CCNC(=O)CN1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001604352639 1018358057 /nfs/dbraw/zinc/35/80/57/1018358057.db2.gz GENDZZUJGAEINR-LLVKDONJSA-N -1 3 317.353 -0.149 20 0 DBADHM CCNC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001604353457 1018358684 /nfs/dbraw/zinc/35/86/84/1018358684.db2.gz JULMZNHHAFGWBO-UHFFFAOYSA-N -1 3 306.330 -0.746 20 0 DBADHM CCNC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001604353457 1018358691 /nfs/dbraw/zinc/35/86/91/1018358691.db2.gz JULMZNHHAFGWBO-UHFFFAOYSA-N -1 3 306.330 -0.746 20 0 DBADHM CCNC(=O)CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001604352017 1018359195 /nfs/dbraw/zinc/35/91/95/1018359195.db2.gz LTKVIUGHXOLCTC-GFCCVEGCSA-N -1 3 314.349 -0.024 20 0 DBADHM CCNC(=O)CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001604352017 1018359209 /nfs/dbraw/zinc/35/92/09/1018359209.db2.gz LTKVIUGHXOLCTC-GFCCVEGCSA-N -1 3 314.349 -0.024 20 0 DBADHM CCNC(=O)CN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001604353086 1018359537 /nfs/dbraw/zinc/35/95/37/1018359537.db2.gz RPXLSSWUAUPOAN-UHFFFAOYSA-N -1 3 318.337 -0.160 20 0 DBADHM C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)NCC(=O)[O-] ZINC001604358481 1018359565 /nfs/dbraw/zinc/35/95/65/1018359565.db2.gz XKLKJWSAKZZUSE-JQEORGNBSA-N -1 3 309.322 -0.204 20 0 DBADHM CCOC(=O)[C@H](CO)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604366069 1018361070 /nfs/dbraw/zinc/36/10/70/1018361070.db2.gz QBACKRLPLQNPJP-ZETCQYMHSA-N -1 3 311.323 -0.418 20 0 DBADHM CCOC(=O)C[C@H](O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001604372832 1018362167 /nfs/dbraw/zinc/36/21/67/1018362167.db2.gz SNTHOXCUIAUNLW-NSHDSACASA-N -1 3 319.321 -0.203 20 0 DBADHM CCOC(=O)C[C@H](O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001604372832 1018362188 /nfs/dbraw/zinc/36/21/88/1018362188.db2.gz SNTHOXCUIAUNLW-NSHDSACASA-N -1 3 319.321 -0.203 20 0 DBADHM CCOC(=O)C[C@H](O)COC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001604373111 1018363500 /nfs/dbraw/zinc/36/35/00/1018363500.db2.gz ZTJTUWYTKQNCGZ-ZETCQYMHSA-N -1 3 309.282 -0.334 20 0 DBADHM CO[C@](C)(C(=O)[O-])C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001604455557 1018383645 /nfs/dbraw/zinc/38/36/45/1018383645.db2.gz WROWKSNOYBEWJY-RISCZKNCSA-N -1 3 301.387 -0.524 20 0 DBADHM CCS(=O)(=O)CCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001604474703 1018385881 /nfs/dbraw/zinc/38/58/81/1018385881.db2.gz YICQTFOFISJIDX-UHFFFAOYSA-N -1 3 324.366 -0.265 20 0 DBADHM CCS(=O)(=O)CCNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001604474703 1018385893 /nfs/dbraw/zinc/38/58/93/1018385893.db2.gz YICQTFOFISJIDX-UHFFFAOYSA-N -1 3 324.366 -0.265 20 0 DBADHM COC[C@@H](NCCS(=O)(=O)CC(=O)[O-])[C@@H]1CCCOC1 ZINC001604516445 1018398223 /nfs/dbraw/zinc/39/82/23/1018398223.db2.gz PHFNOOFBSUPPFR-GHMZBOCLSA-N -1 3 309.384 -0.483 20 0 DBADHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001604620721 1018415057 /nfs/dbraw/zinc/41/50/57/1018415057.db2.gz BSXXETAPRVIIHL-SNVBAGLBSA-N -1 3 320.349 -0.028 20 0 DBADHM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001604626410 1018417284 /nfs/dbraw/zinc/41/72/84/1018417284.db2.gz MBQCQBXQOBNKLK-IJLUTSLNSA-N -1 3 311.382 -0.282 20 0 DBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)[C@@H]1COC[C@H]1O ZINC001604657445 1018421983 /nfs/dbraw/zinc/42/19/83/1018421983.db2.gz IWMGNWNPNGGTSI-GHMZBOCLSA-N -1 3 307.285 -0.163 20 0 DBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)[C@@H]1COC[C@H]1O ZINC001604657445 1018421994 /nfs/dbraw/zinc/42/19/94/1018421994.db2.gz IWMGNWNPNGGTSI-GHMZBOCLSA-N -1 3 307.285 -0.163 20 0 DBADHM C[C@H]1C[C@@H](CS(=O)(=O)NCCN(C)CC(=O)[O-])CCO1 ZINC001604668365 1018425851 /nfs/dbraw/zinc/42/58/51/1018425851.db2.gz CFJHQXXHLYOQLE-QWRGUYRKSA-N -1 3 308.400 -0.263 20 0 DBADHM CN(C)c1cc(C(=O)N2CCOCN2)cc(-c2nnn[n-]2)c1 ZINC001604695836 1018433795 /nfs/dbraw/zinc/43/37/95/1018433795.db2.gz KIJVDXUWKGULDX-UHFFFAOYSA-N -1 3 303.326 -0.133 20 0 DBADHM CN(C)c1cc(C(=O)N2CCOCN2)cc(-c2nn[n-]n2)c1 ZINC001604695836 1018433800 /nfs/dbraw/zinc/43/38/00/1018433800.db2.gz KIJVDXUWKGULDX-UHFFFAOYSA-N -1 3 303.326 -0.133 20 0 DBADHM CN(C)c1cc(C(=O)N2C[C@H](O)[C@@H](O)C2)cc(-c2nnn[n-]2)c1 ZINC001604695755 1018433942 /nfs/dbraw/zinc/43/39/42/1018433942.db2.gz HYUNRIXWJVYTFH-RYUDHWBXSA-N -1 3 318.337 -0.890 20 0 DBADHM CN(C)c1cc(C(=O)N2C[C@H](O)[C@@H](O)C2)cc(-c2nn[n-]n2)c1 ZINC001604695755 1018433945 /nfs/dbraw/zinc/43/39/45/1018433945.db2.gz HYUNRIXWJVYTFH-RYUDHWBXSA-N -1 3 318.337 -0.890 20 0 DBADHM CN(CC(=O)n1ncc(-c2nnn[n-]2)c1N)[C@@H]1CCC[C@H]1O ZINC001604712500 1018434304 /nfs/dbraw/zinc/43/43/04/1018434304.db2.gz CVQFGSQYADSTTK-RKDXNWHRSA-N -1 3 306.330 -0.869 20 0 DBADHM CN(CC(=O)n1ncc(-c2nn[n-]n2)c1N)[C@@H]1CCC[C@H]1O ZINC001604712500 1018434307 /nfs/dbraw/zinc/43/43/07/1018434307.db2.gz CVQFGSQYADSTTK-RKDXNWHRSA-N -1 3 306.330 -0.869 20 0 DBADHM CN(CC(=O)NCCn1cnc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001604710833 1018434519 /nfs/dbraw/zinc/43/45/19/1018434519.db2.gz GPVYXZQZISFSIB-UHFFFAOYSA-N -1 3 321.389 -0.448 20 0 DBADHM CN(C)c1cc(C(=O)NC2=NCC(=O)N2)cc(-c2nnn[n-]2)c1 ZINC001604697259 1018434781 /nfs/dbraw/zinc/43/47/81/1018434781.db2.gz ZYGXADKFOVMWJR-UHFFFAOYSA-N -1 3 314.309 -0.852 20 0 DBADHM CN(C)c1cc(C(=O)NC2=NCC(=O)N2)cc(-c2nn[n-]n2)c1 ZINC001604697259 1018434785 /nfs/dbraw/zinc/43/47/85/1018434785.db2.gz ZYGXADKFOVMWJR-UHFFFAOYSA-N -1 3 314.309 -0.852 20 0 DBADHM CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ncccn1 ZINC001604765888 1018442904 /nfs/dbraw/zinc/44/29/04/1018442904.db2.gz HJBLWROQKDAOEM-UHFFFAOYSA-N -1 3 313.325 -0.149 20 0 DBADHM CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ncccn1 ZINC001604765888 1018442909 /nfs/dbraw/zinc/44/29/09/1018442909.db2.gz HJBLWROQKDAOEM-UHFFFAOYSA-N -1 3 313.325 -0.149 20 0 DBADHM C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)CN2C)CCN1CCC(=O)[O-] ZINC001604771334 1018445646 /nfs/dbraw/zinc/44/56/46/1018445646.db2.gz OFLYSSBSDJFDEU-LALPHHSUSA-N -1 3 313.398 -0.551 20 0 DBADHM CN(CCO)Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001604778852 1018447628 /nfs/dbraw/zinc/44/76/28/1018447628.db2.gz XJHLMEDNESFULK-UHFFFAOYSA-N -1 3 314.353 -0.069 20 0 DBADHM CN(CCO)Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001604778852 1018447637 /nfs/dbraw/zinc/44/76/37/1018447637.db2.gz XJHLMEDNESFULK-UHFFFAOYSA-N -1 3 314.353 -0.069 20 0 DBADHM CN(CCc1cccc(-c2nnn[n-]2)c1)Cn1ncn(C)c1=O ZINC001604791791 1018451919 /nfs/dbraw/zinc/45/19/19/1018451919.db2.gz JSJHPGIPWPBFQC-UHFFFAOYSA-N -1 3 314.353 -0.106 20 0 DBADHM CN(CCc1cccc(-c2nn[n-]n2)c1)Cn1ncn(C)c1=O ZINC001604791791 1018451928 /nfs/dbraw/zinc/45/19/28/1018451928.db2.gz JSJHPGIPWPBFQC-UHFFFAOYSA-N -1 3 314.353 -0.106 20 0 DBADHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1nc(N)nc(N(C)C)n1 ZINC001604795674 1018453705 /nfs/dbraw/zinc/45/37/05/1018453705.db2.gz YYNGYZQLGDNHRU-SNVBAGLBSA-N -1 3 323.401 -0.499 20 0 DBADHM CN(c1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001604829470 1018459531 /nfs/dbraw/zinc/45/95/31/1018459531.db2.gz FOIRSFGNTMYPJM-NSHDSACASA-N -1 3 315.337 -0.611 20 0 DBADHM CN(c1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001604829470 1018459538 /nfs/dbraw/zinc/45/95/38/1018459538.db2.gz FOIRSFGNTMYPJM-NSHDSACASA-N -1 3 315.337 -0.611 20 0 DBADHM CN1C(=O)CN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC001604840437 1018460878 /nfs/dbraw/zinc/46/08/78/1018460878.db2.gz AFIIRYWZSLYVGW-UHFFFAOYSA-N -1 3 318.268 -0.553 20 0 DBADHM CN1C(=O)CN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC001604840437 1018460887 /nfs/dbraw/zinc/46/08/87/1018460887.db2.gz AFIIRYWZSLYVGW-UHFFFAOYSA-N -1 3 318.268 -0.553 20 0 DBADHM CN1C(=O)CC[C@@H]1C(=O)OCc1ncc(-c2nnn[n-]2)cn1 ZINC001604840274 1018460976 /nfs/dbraw/zinc/46/09/76/1018460976.db2.gz OKYKBXLYNCHJRA-MRVPVSSYSA-N -1 3 303.282 -0.679 20 0 DBADHM CN1C(=O)CC[C@@H]1C(=O)OCc1ncc(-c2nn[n-]n2)cn1 ZINC001604840274 1018460981 /nfs/dbraw/zinc/46/09/81/1018460981.db2.gz OKYKBXLYNCHJRA-MRVPVSSYSA-N -1 3 303.282 -0.679 20 0 DBADHM CN1C[C@@H](C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)NC1=O ZINC001604842535 1018462167 /nfs/dbraw/zinc/46/21/67/1018462167.db2.gz QPNCKBRXRQMGJW-VIFPVBQESA-N -1 3 305.273 -0.032 20 0 DBADHM CN1C[C@@H](C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)NC1=O ZINC001604842535 1018462171 /nfs/dbraw/zinc/46/21/71/1018462171.db2.gz QPNCKBRXRQMGJW-VIFPVBQESA-N -1 3 305.273 -0.032 20 0 DBADHM Cn1c(C(=O)O[C@H]2CNC(=O)N(C)C2)ccc1-c1nnn[n-]1 ZINC001604845506 1018464282 /nfs/dbraw/zinc/46/42/82/1018464282.db2.gz DWAXTTMIMDOJNK-ZETCQYMHSA-N -1 3 305.298 -0.614 20 0 DBADHM Cn1c(C(=O)O[C@H]2CNC(=O)N(C)C2)ccc1-c1nn[n-]n1 ZINC001604845506 1018464287 /nfs/dbraw/zinc/46/42/87/1018464287.db2.gz DWAXTTMIMDOJNK-ZETCQYMHSA-N -1 3 305.298 -0.614 20 0 DBADHM CN1CC(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC001604847095 1018465786 /nfs/dbraw/zinc/46/57/86/1018465786.db2.gz SMXBZJVKRQCUDV-UHFFFAOYSA-N -1 3 317.353 -0.469 20 0 DBADHM CN1CC(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC001604847095 1018465791 /nfs/dbraw/zinc/46/57/91/1018465791.db2.gz SMXBZJVKRQCUDV-UHFFFAOYSA-N -1 3 317.353 -0.469 20 0 DBADHM CN1N=C(C(=O)NCc2cncc(-c3nnn[n-]3)c2)CCC1=O ZINC001604872495 1018471878 /nfs/dbraw/zinc/47/18/78/1018471878.db2.gz KMZKAXNUFWBNJS-UHFFFAOYSA-N -1 3 314.309 -0.514 20 0 DBADHM CN1N=C(C(=O)NCc2cncc(-c3nn[n-]n3)c2)CCC1=O ZINC001604872495 1018471883 /nfs/dbraw/zinc/47/18/83/1018471883.db2.gz KMZKAXNUFWBNJS-UHFFFAOYSA-N -1 3 314.309 -0.514 20 0 DBADHM CN1CCOC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001604867448 1018472989 /nfs/dbraw/zinc/47/29/89/1018472989.db2.gz JBAOHHCJWYKCAT-GFCCVEGCSA-N -1 3 302.338 -0.073 20 0 DBADHM CN1CCOC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001604867448 1018472993 /nfs/dbraw/zinc/47/29/93/1018472993.db2.gz JBAOHHCJWYKCAT-GFCCVEGCSA-N -1 3 302.338 -0.073 20 0 DBADHM CNC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001604882231 1018474119 /nfs/dbraw/zinc/47/41/19/1018474119.db2.gz OQQXHFFGFZICPX-UHFFFAOYSA-N -1 3 302.342 -0.870 20 0 DBADHM CNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001604882231 1018474124 /nfs/dbraw/zinc/47/41/24/1018474124.db2.gz OQQXHFFGFZICPX-UHFFFAOYSA-N -1 3 302.342 -0.870 20 0 DBADHM CNC(=O)CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001604882605 1018474985 /nfs/dbraw/zinc/47/49/85/1018474985.db2.gz WUAUKVADXRJJPV-QMMMGPOBSA-N -1 3 304.310 -0.504 20 0 DBADHM CNC(=O)CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001604882605 1018474988 /nfs/dbraw/zinc/47/49/88/1018474988.db2.gz WUAUKVADXRJJPV-QMMMGPOBSA-N -1 3 304.310 -0.504 20 0 DBADHM CNC(=O)CCN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001604879951 1018475931 /nfs/dbraw/zinc/47/59/31/1018475931.db2.gz OVGDXXGLNRKTRK-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM CNC(=O)CCN(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001604879951 1018475939 /nfs/dbraw/zinc/47/59/39/1018475939.db2.gz OVGDXXGLNRKTRK-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM CNC(=O)NCCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001604885784 1018477160 /nfs/dbraw/zinc/47/71/60/1018477160.db2.gz BFTJPVSOSXHQJT-UHFFFAOYSA-N -1 3 319.325 -0.709 20 0 DBADHM CNC(=O)NCCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001604885784 1018477170 /nfs/dbraw/zinc/47/71/70/1018477170.db2.gz BFTJPVSOSXHQJT-UHFFFAOYSA-N -1 3 319.325 -0.709 20 0 DBADHM COC(=O)[C@](C)(O)CNC(=O)c1sccc1-c1nnn[n-]1 ZINC001604903772 1018480535 /nfs/dbraw/zinc/48/05/35/1018480535.db2.gz MZDOHDSQVONSFN-LLVKDONJSA-N -1 3 311.323 -0.418 20 0 DBADHM COC(=O)[C@](C)(O)CNC(=O)c1sccc1-c1nn[n-]n1 ZINC001604903772 1018480543 /nfs/dbraw/zinc/48/05/43/1018480543.db2.gz MZDOHDSQVONSFN-LLVKDONJSA-N -1 3 311.323 -0.418 20 0 DBADHM COC(=O)[C@@](C)(O)CNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001604903891 1018481207 /nfs/dbraw/zinc/48/12/07/1018481207.db2.gz OWQQLAXQIWTQNP-AWEZNQCLSA-N -1 3 319.321 -0.171 20 0 DBADHM COC(=O)[C@@](C)(O)CNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001604903891 1018481212 /nfs/dbraw/zinc/48/12/12/1018481212.db2.gz OWQQLAXQIWTQNP-AWEZNQCLSA-N -1 3 319.321 -0.171 20 0 DBADHM COC(=O)[C@](C)(CO)NC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001604904599 1018481308 /nfs/dbraw/zinc/48/13/08/1018481308.db2.gz YUIQBMIVXSXWOJ-FZMZJTMJSA-N -1 3 321.337 -0.586 20 0 DBADHM COC(=O)[C@](C)(CO)NC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001604904599 1018481313 /nfs/dbraw/zinc/48/13/13/1018481313.db2.gz YUIQBMIVXSXWOJ-FZMZJTMJSA-N -1 3 321.337 -0.586 20 0 DBADHM COC(=O)[C@](C)(O)CNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001604903895 1018481709 /nfs/dbraw/zinc/48/17/09/1018481709.db2.gz OWQQLAXQIWTQNP-CQSZACIVSA-N -1 3 319.321 -0.171 20 0 DBADHM COC(=O)[C@](C)(O)CNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001604903895 1018481715 /nfs/dbraw/zinc/48/17/15/1018481715.db2.gz OWQQLAXQIWTQNP-CQSZACIVSA-N -1 3 319.321 -0.171 20 0 DBADHM COC(=O)[C@@](C)(CO)NC[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001604903976 1018481734 /nfs/dbraw/zinc/48/17/34/1018481734.db2.gz PXSUGLMCHVOTHG-SMDDNHRTSA-N -1 3 321.337 -0.586 20 0 DBADHM COC(=O)[C@@](C)(CO)NC[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001604903976 1018481738 /nfs/dbraw/zinc/48/17/38/1018481738.db2.gz PXSUGLMCHVOTHG-SMDDNHRTSA-N -1 3 321.337 -0.586 20 0 DBADHM COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001604900124 1018482065 /nfs/dbraw/zinc/48/20/65/1018482065.db2.gz MAHGLXNZIRHLHR-ZETCQYMHSA-N -1 3 319.277 -0.142 20 0 DBADHM COC(=O)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001604900124 1018482072 /nfs/dbraw/zinc/48/20/72/1018482072.db2.gz MAHGLXNZIRHLHR-ZETCQYMHSA-N -1 3 319.277 -0.142 20 0 DBADHM COC(=O)[C@]1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)C1 ZINC001604917071 1018483999 /nfs/dbraw/zinc/48/39/99/1018483999.db2.gz BSQGGDQPMLXSGZ-ZDUSSCGKSA-N -1 3 322.300 -0.068 20 0 DBADHM COC(=O)[C@]1(F)CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001604917071 1018484009 /nfs/dbraw/zinc/48/40/09/1018484009.db2.gz BSQGGDQPMLXSGZ-ZDUSSCGKSA-N -1 3 322.300 -0.068 20 0 DBADHM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001604919779 1018486477 /nfs/dbraw/zinc/48/64/77/1018486477.db2.gz AUCBOMXXABIRIK-DTWKUNHWSA-N -1 3 320.309 -0.809 20 0 DBADHM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001604919779 1018486482 /nfs/dbraw/zinc/48/64/82/1018486482.db2.gz AUCBOMXXABIRIK-DTWKUNHWSA-N -1 3 320.309 -0.809 20 0 DBADHM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001604919798 1018487014 /nfs/dbraw/zinc/48/70/14/1018487014.db2.gz AYGHLSCLUKEDAN-ZJUUUORDSA-N -1 3 320.309 -0.667 20 0 DBADHM COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001604919798 1018487018 /nfs/dbraw/zinc/48/70/18/1018487018.db2.gz AYGHLSCLUKEDAN-ZJUUUORDSA-N -1 3 320.309 -0.667 20 0 DBADHM CCC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1cn[n-]n1)C(C)C ZINC001500846670 1018488741 /nfs/dbraw/zinc/48/87/41/1018488741.db2.gz PCVHWHHPMMTSRW-VHSXEESVSA-N -1 3 324.385 -0.410 20 0 DBADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)C1 ZINC001604924964 1018490383 /nfs/dbraw/zinc/49/03/83/1018490383.db2.gz FMBUXCHCWZUDTE-QMMMGPOBSA-N -1 3 304.310 -0.160 20 0 DBADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001604924964 1018490390 /nfs/dbraw/zinc/49/03/90/1018490390.db2.gz FMBUXCHCWZUDTE-QMMMGPOBSA-N -1 3 304.310 -0.160 20 0 DBADHM COC(=O)CCc1nc(Cn2cc(-c3nnn[n-]3)cn2)no1 ZINC001604938838 1018492148 /nfs/dbraw/zinc/49/21/48/1018492148.db2.gz IDXJWKGWDNOFAH-UHFFFAOYSA-N -1 3 304.270 -0.400 20 0 DBADHM COC(=O)CCc1nc(Cn2cc(-c3nn[n-]n3)cn2)no1 ZINC001604938838 1018492160 /nfs/dbraw/zinc/49/21/60/1018492160.db2.gz IDXJWKGWDNOFAH-UHFFFAOYSA-N -1 3 304.270 -0.400 20 0 DBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001604940274 1018493046 /nfs/dbraw/zinc/49/30/46/1018493046.db2.gz XCSMLTLWUBAYAS-ZCFIWIBFSA-N -1 3 322.281 -0.971 20 0 DBADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001604940274 1018493050 /nfs/dbraw/zinc/49/30/50/1018493050.db2.gz XCSMLTLWUBAYAS-ZCFIWIBFSA-N -1 3 322.281 -0.971 20 0 DBADHM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H](C)O1 ZINC001604958082 1018495465 /nfs/dbraw/zinc/49/54/65/1018495465.db2.gz VLSGBWYBDNRGNR-XCBNKYQSSA-N -1 3 320.309 -0.403 20 0 DBADHM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H](C)O1 ZINC001604958082 1018495471 /nfs/dbraw/zinc/49/54/71/1018495471.db2.gz VLSGBWYBDNRGNR-XCBNKYQSSA-N -1 3 320.309 -0.403 20 0 DBADHM COC(=O)[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001604957225 1018496189 /nfs/dbraw/zinc/49/61/89/1018496189.db2.gz CSNRSGRBSOLASS-JTQLQIEISA-N -1 3 305.294 -0.561 20 0 DBADHM COC(=O)[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001604957225 1018496196 /nfs/dbraw/zinc/49/61/96/1018496196.db2.gz CSNRSGRBSOLASS-JTQLQIEISA-N -1 3 305.294 -0.561 20 0 DBADHM COC(=O)NC(C)(C)C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001604950224 1018496622 /nfs/dbraw/zinc/49/66/22/1018496622.db2.gz FYFOESGDJXBJFX-UHFFFAOYSA-N -1 3 308.302 -0.029 20 0 DBADHM COC(=O)[C@@]1(NC(=O)c2sccc2-c2nnn[n-]2)C[C@H](O)C1 ZINC001604962403 1018498274 /nfs/dbraw/zinc/49/82/74/1018498274.db2.gz LOAIHPWVAMTSJT-ZFUMSHNSSA-N -1 3 323.334 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20 0 DBADHM CN1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2F)C(=O)N1 ZINC001591170455 1016404728 /nfs/dbraw/zinc/40/47/28/1016404728.db2.gz HSCJJZHHWHEYEA-VIFPVBQESA-N -1 3 305.273 -0.919 20 0 DBADHM CN1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2F)C(=O)N1 ZINC001591170455 1016404741 /nfs/dbraw/zinc/40/47/41/1016404741.db2.gz HSCJJZHHWHEYEA-VIFPVBQESA-N -1 3 305.273 -0.919 20 0 DBADHM CO[C@H](C(=O)NC1CN(C(=O)c2c(C)nc[n-]c2=O)C1)C1CC1 ZINC001409047033 1000342639 /nfs/dbraw/zinc/34/26/39/1000342639.db2.gz HPMZYTQTQIJHDT-LBPRGKRZSA-N -1 3 320.349 -0.144 20 0 DBADHM CN1C[C@@H](COC(=O)c2cnccc2-c2nnn[n-]2)OC1=O ZINC001591169545 1016405537 /nfs/dbraw/zinc/40/55/37/1016405537.db2.gz CWZFIRPRLXXARW-ZETCQYMHSA-N -1 3 304.266 -0.131 20 0 DBADHM CN1C[C@@H](COC(=O)c2cnccc2-c2nn[n-]n2)OC1=O ZINC001591169545 1016405553 /nfs/dbraw/zinc/40/55/53/1016405553.db2.gz CWZFIRPRLXXARW-ZETCQYMHSA-N -1 3 304.266 -0.131 20 0 DBADHM O=C(CN1CC(NC(=O)c2cn[n-]n2)C1)NCc1cccs1 ZINC001421052055 1000344051 /nfs/dbraw/zinc/34/40/51/1000344051.db2.gz YNOKIIYPRYHNEJ-UHFFFAOYSA-N -1 3 320.378 -0.403 20 0 DBADHM COCCC1(C(=O)N2CC(NC(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001409068148 1000351338 /nfs/dbraw/zinc/35/13/38/1000351338.db2.gz DOOAIYOTPQGYKF-UHFFFAOYSA-N -1 3 320.349 -0.061 20 0 DBADHM CN1C[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC001591170069 1016406240 /nfs/dbraw/zinc/40/62/40/1016406240.db2.gz GMXBQQFXCBMOIA-JTQLQIEISA-N -1 3 316.321 -0.408 20 0 DBADHM CN1C[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC001591170069 1016406247 /nfs/dbraw/zinc/40/62/47/1016406247.db2.gz GMXBQQFXCBMOIA-JTQLQIEISA-N -1 3 316.321 -0.408 20 0 DBADHM CCN(CC)C(=O)CCC(=O)N1CC(NC(=O)c2cn[n-]n2)C1 ZINC001409075023 1000354985 /nfs/dbraw/zinc/35/49/85/1000354985.db2.gz FHYINJVUORKQMN-UHFFFAOYSA-N -1 3 322.369 -0.606 20 0 DBADHM CN1C[C@H](COC(=O)c2ccc(-c3nnn[n-]3)cn2)OC1=O ZINC001591172142 1016406589 /nfs/dbraw/zinc/40/65/89/1016406589.db2.gz STKTTWMKTCGATK-MRVPVSSYSA-N -1 3 304.266 -0.131 20 0 DBADHM CN1C[C@H](COC(=O)c2ccc(-c3nn[n-]n3)cn2)OC1=O ZINC001591172142 1016406596 /nfs/dbraw/zinc/40/65/96/1016406596.db2.gz STKTTWMKTCGATK-MRVPVSSYSA-N -1 3 304.266 -0.131 20 0 DBADHM CCO[C@H](C)C(=O)N1CC(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001409152400 1000383710 /nfs/dbraw/zinc/38/37/10/1000383710.db2.gz GZDXRACMLVJSLI-SECBINFHSA-N -1 3 308.338 -0.205 20 0 DBADHM COCC(=O)N[C@H](CNCc1nc(=O)n(C)[n-]1)C1CCCC1 ZINC001421145331 1000386296 /nfs/dbraw/zinc/38/62/96/1000386296.db2.gz CUJLNBVCZIEMNE-LLVKDONJSA-N -1 3 311.386 -0.481 20 0 DBADHM CC[C@@H](CNC(=O)c1snnc1C)NC(=O)c1cn[n-]n1 ZINC001409229258 1000403405 /nfs/dbraw/zinc/40/34/05/1000403405.db2.gz AWHANMOVXJVSHG-ZETCQYMHSA-N -1 3 309.355 -0.097 20 0 DBADHM CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)NC(=O)c1cn[n-]n1 ZINC001409270365 1000415406 /nfs/dbraw/zinc/41/54/06/1000415406.db2.gz CHOOSPYEBJBIOH-VIFPVBQESA-N -1 3 310.358 -0.656 20 0 DBADHM CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)NC(=O)c1cn[n-]n1 ZINC001409267504 1000415599 /nfs/dbraw/zinc/41/55/99/1000415599.db2.gz DYEVQHUHSPJEQR-SNVBAGLBSA-N -1 3 318.337 -0.558 20 0 DBADHM C[C@]1(CNCc2n[nH]c(=O)[n-]2)CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001421237778 1000418915 /nfs/dbraw/zinc/41/89/15/1000418915.db2.gz MHAJDGTTXKRNHG-VQISRLSMSA-N -1 3 321.381 -0.125 20 0 DBADHM Cn1c(C(=O)N[C@@H]2CCCN(C)C2=O)ccc1-c1nnn[n-]1 ZINC001591184527 1016412706 /nfs/dbraw/zinc/41/27/06/1016412706.db2.gz BECMHBGPQHKQRW-MRVPVSSYSA-N -1 3 303.326 -0.444 20 0 DBADHM Cn1c(C(=O)N[C@@H]2CCCN(C)C2=O)ccc1-c1nn[n-]n1 ZINC001591184527 1016412710 /nfs/dbraw/zinc/41/27/10/1016412710.db2.gz BECMHBGPQHKQRW-MRVPVSSYSA-N -1 3 303.326 -0.444 20 0 DBADHM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](CO)C1 ZINC001591190041 1016412867 /nfs/dbraw/zinc/41/28/67/1016412867.db2.gz GCKOKZSVUADFJT-MRVPVSSYSA-N -1 3 308.367 -0.323 20 0 DBADHM COCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001409379083 1000444016 /nfs/dbraw/zinc/44/40/16/1000444016.db2.gz MCHSKBXYPHROPW-ZJUUUORDSA-N -1 3 313.402 -0.236 20 0 DBADHM Cc1nocc1C(=O)N[C@@H](C)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001409384961 1000444770 /nfs/dbraw/zinc/44/47/70/1000444770.db2.gz FUBQWLCIVGLPMA-YUMQZZPRSA-N -1 3 308.342 -0.299 20 0 DBADHM CN1CCC[C@@H](NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001591184077 1016413397 /nfs/dbraw/zinc/41/33/97/1016413397.db2.gz HVKMOSWJMLJDAR-SNVBAGLBSA-N -1 3 323.382 -0.366 20 0 DBADHM CN1CCC[C@@H](NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001591184077 1016413398 /nfs/dbraw/zinc/41/33/98/1016413398.db2.gz HVKMOSWJMLJDAR-SNVBAGLBSA-N -1 3 323.382 -0.366 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](C)NCc1cnn(C)n1 ZINC001409411589 1000450734 /nfs/dbraw/zinc/45/07/34/1000450734.db2.gz WLNRWZYHMQOHAH-RKDXNWHRSA-N -1 3 319.369 -0.084 20 0 DBADHM CN1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC001591191667 1016414028 /nfs/dbraw/zinc/41/40/28/1016414028.db2.gz LZTVTPPSJWRRBP-UHFFFAOYSA-N -1 3 321.728 -0.171 20 0 DBADHM CN1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC001591191667 1016414033 /nfs/dbraw/zinc/41/40/33/1016414033.db2.gz LZTVTPPSJWRRBP-UHFFFAOYSA-N -1 3 321.728 -0.171 20 0 DBADHM CN1CC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001591182181 1016414832 /nfs/dbraw/zinc/41/48/32/1016414832.db2.gz ZBCUOGXTFBUFCE-SECBINFHSA-N -1 3 309.355 -0.756 20 0 DBADHM CN1CC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001591182181 1016414838 /nfs/dbraw/zinc/41/48/38/1016414838.db2.gz ZBCUOGXTFBUFCE-SECBINFHSA-N -1 3 309.355 -0.756 20 0 DBADHM C[C@H](CNC(=O)c1ncccc1[O-])N(C)[C@@H](C)C(=O)NC(N)=O ZINC001409536143 1000468074 /nfs/dbraw/zinc/46/80/74/1000468074.db2.gz KAIQFZMGUBJFQH-BDAKNGLRSA-N -1 3 323.353 -0.579 20 0 DBADHM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)[C@@H](C)C(=O)NC(N)=O ZINC001409536157 1000469526 /nfs/dbraw/zinc/46/95/26/1000469526.db2.gz KAIQFZMGUBJFQH-IUCAKERBSA-N -1 3 323.353 -0.579 20 0 DBADHM CC[C@@H](CNC(=O)[C@H]1CCCOC1)NCc1nc(=O)n(C)[n-]1 ZINC001421376742 1000473537 /nfs/dbraw/zinc/47/35/37/1000473537.db2.gz CSOPVZQFHYPUMI-QWRGUYRKSA-N -1 3 311.386 -0.481 20 0 DBADHM CN1C[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC001591195486 1016417655 /nfs/dbraw/zinc/41/76/55/1016417655.db2.gz MVLZRUKOCBLRBJ-JTQLQIEISA-N -1 3 316.321 -0.408 20 0 DBADHM C[C@@H](CNC(=O)c1cnc[n-]c1=O)CNC(=O)[C@H]1CCOC1 ZINC001409647044 1000497007 /nfs/dbraw/zinc/49/70/07/1000497007.db2.gz JMQLDNWSVHFMOM-ZJUUUORDSA-N -1 3 308.338 -0.299 20 0 DBADHM CN1CCO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1=O ZINC001591195222 1016418996 /nfs/dbraw/zinc/41/89/96/1016418996.db2.gz WWLSUBQWSHWGLT-SECBINFHSA-N -1 3 322.350 -0.598 20 0 DBADHM CC[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1cnn(C)c1 ZINC001421424410 1000500461 /nfs/dbraw/zinc/50/04/61/1000500461.db2.gz BSVYXHAWIQBKCC-VIFPVBQESA-N -1 3 321.341 -0.686 20 0 DBADHM CN1CCO[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC001591195116 1016420243 /nfs/dbraw/zinc/42/02/43/1016420243.db2.gz SMZOCNSZGROLHT-JTQLQIEISA-N -1 3 320.284 -0.199 20 0 DBADHM CN1CCO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001591195201 1016419927 /nfs/dbraw/zinc/41/99/27/1016419927.db2.gz WJADTLZAVBPCOZ-QMMMGPOBSA-N -1 3 318.341 -0.264 20 0 DBADHM CN1CCO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001591195201 1016419936 /nfs/dbraw/zinc/41/99/36/1016419936.db2.gz WJADTLZAVBPCOZ-QMMMGPOBSA-N -1 3 318.341 -0.264 20 0 DBADHM CN1CCO[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC001591195116 1016420237 /nfs/dbraw/zinc/42/02/37/1016420237.db2.gz SMZOCNSZGROLHT-JTQLQIEISA-N -1 3 320.284 -0.199 20 0 DBADHM CN1CCC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001591184133 1016415631 /nfs/dbraw/zinc/41/56/31/1016415631.db2.gz KTDWNAFORQCIEL-LLVKDONJSA-N -1 3 315.337 -0.254 20 0 DBADHM CN1CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001591184133 1016415646 /nfs/dbraw/zinc/41/56/46/1016415646.db2.gz KTDWNAFORQCIEL-LLVKDONJSA-N -1 3 315.337 -0.254 20 0 DBADHM C[C@H](CNC(=O)Cn1ccnc1)CNC(=O)c1cnc[n-]c1=O ZINC001409742258 1000527468 /nfs/dbraw/zinc/52/74/68/1000527468.db2.gz XRGSRVPOJNOYII-SNVBAGLBSA-N -1 3 318.337 -0.439 20 0 DBADHM CC(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1cn[n-]n1 ZINC001409875186 1000543308 /nfs/dbraw/zinc/54/33/08/1000543308.db2.gz YEWQCJPVKHASIX-JTQLQIEISA-N -1 3 306.326 -0.094 20 0 DBADHM CN1CCOC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591195245 1016417364 /nfs/dbraw/zinc/41/73/64/1016417364.db2.gz XYFHKIRMKCKNKC-NSHDSACASA-N -1 3 317.353 -0.749 20 0 DBADHM CNC(=O)C1CN(C(=O)c2ncc(-c3nnn[n-]3)cc2C)C1 ZINC001591201407 1016422287 /nfs/dbraw/zinc/42/22/87/1016422287.db2.gz CPGMSSGRCTZXTR-UHFFFAOYSA-N -1 3 301.310 -0.612 20 0 DBADHM CNC(=O)C1CN(C(=O)c2ncc(-c3nn[n-]n3)cc2C)C1 ZINC001591201407 1016422298 /nfs/dbraw/zinc/42/22/98/1016422298.db2.gz CPGMSSGRCTZXTR-UHFFFAOYSA-N -1 3 301.310 -0.612 20 0 DBADHM CNC(=O)[C@@H](O)CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001591199590 1016422333 /nfs/dbraw/zinc/42/23/33/1016422333.db2.gz QHWMNFHDINBGCJ-NSHDSACASA-N -1 3 313.321 -0.644 20 0 DBADHM CNC(=O)[C@@H](O)CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001591199590 1016422339 /nfs/dbraw/zinc/42/23/39/1016422339.db2.gz 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CO[C@H](C[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC)[C@H]1CCOC1 ZINC000657044223 412025450 /nfs/dbraw/zinc/02/54/50/412025450.db2.gz NDRSHOIPYMDGGT-WHOHXGKFSA-N -1 3 309.384 -0.629 20 0 DBADHM CO[C@H]1COC[C@H]1S(=O)(=O)[N-][C@@H]1C[C@@H](C)n2ncnc21 ZINC000657066568 412025849 /nfs/dbraw/zinc/02/58/49/412025849.db2.gz NXOWRINEPGXYMK-DOLQZWNJSA-N -1 3 302.356 -0.383 20 0 DBADHM CO[C@@H](C[N-]S(=O)(=O)[C@@H]1COC[C@@H]1OC)[C@H]1CCOC1 ZINC000657044218 412026098 /nfs/dbraw/zinc/02/60/98/412026098.db2.gz NDRSHOIPYMDGGT-FIQHERPVSA-N -1 3 309.384 -0.629 20 0 DBADHM C[C@@H]1CN(S(=O)(=O)[N-]Cc2nc(C(N)=O)co2)C[C@@H](C)O1 ZINC000657070696 412026570 /nfs/dbraw/zinc/02/65/70/412026570.db2.gz UQJZDKUERNRXQA-HTQZYQBOSA-N -1 3 318.355 -0.783 20 0 DBADHM CC(C)OCCS(=O)(=O)[N-]C[C@]1(OCCO)CCOC1 ZINC000657085371 412027492 /nfs/dbraw/zinc/02/74/92/412027492.db2.gz FYZRXQRWEIOYSB-GFCCVEGCSA-N -1 3 311.400 -0.501 20 0 DBADHM CO[C@@H](CS(=O)(=O)[N-]C[C@@]1(OCCO)CCOC1)C1CC1 ZINC000657084600 412027670 /nfs/dbraw/zinc/02/76/70/412027670.db2.gz BQXUUEYVLGDGIG-STQMWFEESA-N -1 3 323.411 -0.501 20 0 DBADHM CCN(CC)CCS(=O)(=O)[N-]Cc1nc(C(N)=O)co1 ZINC000657072050 412027751 /nfs/dbraw/zinc/02/77/51/412027751.db2.gz XMOYJODVUNKEMG-UHFFFAOYSA-N -1 3 304.372 -0.465 20 0 DBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000657099434 412028627 /nfs/dbraw/zinc/02/86/27/412028627.db2.gz IDOYVOWSUALDJD-DTWKUNHWSA-N -1 3 324.380 -0.618 20 0 DBADHM O=S(=O)([N-]C[C@]1(OCCO)CCOC1)c1cncc(F)c1 ZINC000657086752 412028815 /nfs/dbraw/zinc/02/88/15/412028815.db2.gz NIWIIVQDIQZIAJ-GFCCVEGCSA-N -1 3 320.342 -0.333 20 0 DBADHM O=S(=O)([N-]C[C@@]1(OCCO)CCOC1)c1ccccn1 ZINC000657087535 412029061 /nfs/dbraw/zinc/02/90/61/412029061.db2.gz VDNKNSOBXIOAQF-LBPRGKRZSA-N -1 3 302.352 -0.472 20 0 DBADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)Cc1ccccc1 ZINC000657099197 412029204 /nfs/dbraw/zinc/02/92/04/412029204.db2.gz GYBUXZUWZJJJSC-VXGBXAGGSA-N -1 3 319.404 -0.082 20 0 DBADHM CCn1cc(C[N-]S(=O)(=O)c2cnn(CCOC)c2)nn1 ZINC000657121544 412030439 /nfs/dbraw/zinc/03/04/39/412030439.db2.gz WEJQKMAELNXPMG-UHFFFAOYSA-N -1 3 314.371 -0.381 20 0 DBADHM CCCCN(C)S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000657101013 412031262 /nfs/dbraw/zinc/03/12/62/412031262.db2.gz WNMUUTSEGPJVMG-VHSXEESVSA-N -1 3 314.429 -0.635 20 0 DBADHM COc1ccnc(C[N-]S(=O)(=O)c2cnnn2C)c1F ZINC000657158689 412034850 /nfs/dbraw/zinc/03/48/50/412034850.db2.gz HGWVHEMZVWPWGG-UHFFFAOYSA-N -1 3 301.303 -0.164 20 0 DBADHM CO[C@@H](CS(=O)(=O)[N-][C@@H](CO)C(N)=O)C1CCCCC1 ZINC000656987733 412021849 /nfs/dbraw/zinc/02/18/49/412021849.db2.gz IMUCXIGALHHZNM-QWRGUYRKSA-N -1 3 308.400 -0.653 20 0 DBADHM COc1cncnc1NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659014191 412077100 /nfs/dbraw/zinc/07/71/00/412077100.db2.gz DSURBEKLYBOSLZ-UHFFFAOYSA-N -1 3 305.298 -0.239 20 0 DBADHM CC(C)N1C[C@H](NC(=O)NCc2nc(CN)cc(=O)[n-]2)CC1=O ZINC000659457082 412088596 /nfs/dbraw/zinc/08/85/96/412088596.db2.gz ABJJVQVEWURLQY-SNVBAGLBSA-N -1 3 322.369 -0.551 20 0 DBADHM CCO[C@@H]1COC[C@H]1NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659501910 412090187 /nfs/dbraw/zinc/09/01/87/412090187.db2.gz WWTGRYIEEFCXFL-NXEZZACHSA-N -1 3 311.342 -0.756 20 0 DBADHM NCc1cc(=O)[n-]c(CNC(=O)NCCO[C@H]2CC2(F)F)n1 ZINC000659568564 412095031 /nfs/dbraw/zinc/09/50/31/412095031.db2.gz NFPGUCIOUHOQAI-QMMMGPOBSA-N -1 3 317.296 -0.136 20 0 DBADHM NCc1cc(=O)[n-]c(CNC(=O)NCCO[C@@H]2CC2(F)F)n1 ZINC000659568563 412095720 /nfs/dbraw/zinc/09/57/20/412095720.db2.gz NFPGUCIOUHOQAI-MRVPVSSYSA-N -1 3 317.296 -0.136 20 0 DBADHM CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659631195 412096444 /nfs/dbraw/zinc/09/64/44/412096444.db2.gz BENUZZPXPMLZGL-LBPRGKRZSA-N -1 3 322.369 -0.693 20 0 DBADHM NCc1cc(=O)[n-]c(CNC(=O)N2CCOCC3(CC3)C2)n1 ZINC000659631257 412097113 /nfs/dbraw/zinc/09/71/13/412097113.db2.gz SRKQECADUFBBAD-UHFFFAOYSA-N -1 3 307.354 -0.037 20 0 DBADHM C[C@]12COC[C@@H]1CN(C(=O)NCc1nc(CN)cc(=O)[n-]1)C2 ZINC000659628429 412097531 /nfs/dbraw/zinc/09/75/31/412097531.db2.gz DDSYIAULNFKZLL-XPTSAGLGSA-N -1 3 307.354 -0.181 20 0 DBADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659631194 412097767 /nfs/dbraw/zinc/09/77/67/412097767.db2.gz BENUZZPXPMLZGL-GFCCVEGCSA-N -1 3 322.369 -0.693 20 0 DBADHM C[C@H](CCC1CC1)NC(=O)C(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659695235 412106789 /nfs/dbraw/zinc/10/67/89/412106789.db2.gz WZYDKDZSUOMTPU-SECBINFHSA-N -1 3 321.381 -0.048 20 0 DBADHM NCc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC[C@H](C3CC3)C2)n1 ZINC000659747864 412121496 /nfs/dbraw/zinc/12/14/96/412121496.db2.gz KXWOLBKMCWHHAD-JTQLQIEISA-N -1 3 319.365 -0.484 20 0 DBADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]C2(C(N)=O)CCC2)CCOC1 ZINC000659931305 412130004 /nfs/dbraw/zinc/13/00/04/412130004.db2.gz NPXSMUNXDGEZNN-LBPRGKRZSA-N -1 3 320.411 -0.102 20 0 DBADHM O=C1N(CC[N-]S(=O)(=O)c2c[nH]cn2)C[C@H]2CCCCN12 ZINC000660053785 412131909 /nfs/dbraw/zinc/13/19/09/412131909.db2.gz ZGCIAFPBBMTARY-SNVBAGLBSA-N -1 3 313.383 -0.022 20 0 DBADHM CC(=O)c1nc(CCN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)[nH]c1C ZINC000660145946 412133226 /nfs/dbraw/zinc/13/32/26/412133226.db2.gz AYXBAJNDVOPYDO-JTQLQIEISA-N -1 3 305.338 -0.301 20 0 DBADHM CC(=O)c1[nH]c(CCN2CCN3C(=O)[N-]C(=O)[C@@H]3C2)nc1C ZINC000660145946 412133230 /nfs/dbraw/zinc/13/32/30/412133230.db2.gz AYXBAJNDVOPYDO-JTQLQIEISA-N -1 3 305.338 -0.301 20 0 DBADHM NCc1cc(=O)[n-]c(CNC(=O)c2ccc3c(n2)OCCO3)n1 ZINC000662749837 412197681 /nfs/dbraw/zinc/19/76/81/412197681.db2.gz MHFIRBJOHSTMGJ-UHFFFAOYSA-N -1 3 317.305 -0.263 20 0 DBADHM CNc1nc(C)cc(C(=O)NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000662748579 412197754 /nfs/dbraw/zinc/19/77/54/412197754.db2.gz BNJMCWCHKMQNGN-UHFFFAOYSA-N -1 3 303.326 -0.289 20 0 DBADHM CC(C)CN1C[C@H](C(=O)NCc2nc(CN)cc(=O)[n-]2)CC1=O ZINC000662752584 412200721 /nfs/dbraw/zinc/20/07/21/412200721.db2.gz RODPVXWNMLZZJW-SNVBAGLBSA-N -1 3 321.381 -0.238 20 0 DBADHM C[C@@H]1CN(C(=O)CN2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000662220226 412171232 /nfs/dbraw/zinc/17/12/32/412171232.db2.gz DWADDOXNJLWDIK-RTWAVKEYSA-N -1 3 312.366 -0.345 20 0 DBADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)n[n-]1 ZINC000355051674 412280332 /nfs/dbraw/zinc/28/03/32/412280332.db2.gz YSTAZMTUBYJJCG-BDAKNGLRSA-N -1 3 304.310 -0.218 20 0 DBADHM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)[n-]n1 ZINC000355051674 412280335 /nfs/dbraw/zinc/28/03/35/412280335.db2.gz YSTAZMTUBYJJCG-BDAKNGLRSA-N -1 3 304.310 -0.218 20 0 DBADHM Cn1ccnc1-c1cc(NC(=O)c2cn(C)c(=O)[nH]c2=O)n[n-]1 ZINC000435709430 412280883 /nfs/dbraw/zinc/28/08/83/412280883.db2.gz OVKKMMIRQVBREQ-UHFFFAOYSA-N -1 3 315.293 -0.138 20 0 DBADHM Cn1ccnc1-c1cc(NC(=O)c2cn(C)c(=O)[nH]c2=O)[n-]n1 ZINC000435709430 412280886 /nfs/dbraw/zinc/28/08/86/412280886.db2.gz OVKKMMIRQVBREQ-UHFFFAOYSA-N -1 3 315.293 -0.138 20 0 DBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2)s1 ZINC000663537820 412233601 /nfs/dbraw/zinc/23/36/01/412233601.db2.gz ZPESYPDWHPDJEB-ZKCHVHJHSA-N -1 3 319.408 -0.021 20 0 DBADHM O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCOC2(CNC2)C1 ZINC000663489433 412233806 /nfs/dbraw/zinc/23/38/06/412233806.db2.gz FYAJMZOWZHZUJX-UHFFFAOYSA-N -1 3 316.317 -0.156 20 0 DBADHM CNC(=O)Cn1nc([N-]c2ncc(C(=O)OC)cn2)cc1C ZINC000342558200 412324663 /nfs/dbraw/zinc/32/46/63/412324663.db2.gz QHZPGLFTOOZEOY-UHFFFAOYSA-N -1 3 304.310 0.258 20 0 DBADHM CNC(=O)Cn1nc([N-]c2nc(C)cc(C(=O)OC)n2)cc1C ZINC000553093448 412324696 /nfs/dbraw/zinc/32/46/96/412324696.db2.gz HPQWBRKFDXODNR-UHFFFAOYSA-N -1 3 318.337 0.566 20 0 DBADHM COC1CC(CCNC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000665380635 412335172 /nfs/dbraw/zinc/33/51/72/412335172.db2.gz QIELGRGSKVEVJK-ILDUYXDCSA-N -1 3 310.354 -0.253 20 0 DBADHM COC(=O)Cc1n[n-]c(NC(=O)C(=O)N2CCC[C@@H](C)C2)n1 ZINC000444255595 412365005 /nfs/dbraw/zinc/36/50/05/412365005.db2.gz BZWAGPPNXCJONF-MRVPVSSYSA-N -1 3 309.326 -0.283 20 0 DBADHM COC(=O)Cc1nnc(NC(=O)C(=O)N2CCC[C@@H](C)C2)[n-]1 ZINC000444255595 412365010 /nfs/dbraw/zinc/36/50/10/412365010.db2.gz BZWAGPPNXCJONF-MRVPVSSYSA-N -1 3 309.326 -0.283 20 0 DBADHM COC(=O)Cc1nc(NC(=O)C(=O)N2CCC[C@@H](C)C2)n[n-]1 ZINC000444255595 412365011 /nfs/dbraw/zinc/36/50/11/412365011.db2.gz BZWAGPPNXCJONF-MRVPVSSYSA-N -1 3 309.326 -0.283 20 0 DBADHM C[C@H](C1CC1)N(C)S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000566936545 412295559 /nfs/dbraw/zinc/29/55/59/412295559.db2.gz OYILHPARBDRBCV-SECBINFHSA-N -1 3 315.399 -0.077 20 0 DBADHM CCCc1cc(NC(=O)C[N-]S(=O)(=O)CCOCC)n[nH]1 ZINC000342634118 412395670 /nfs/dbraw/zinc/39/56/70/412395670.db2.gz ONPGUWGBRYVGFY-UHFFFAOYSA-N -1 3 318.399 0.257 20 0 DBADHM COc1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)nn1C ZINC000547537643 412436430 /nfs/dbraw/zinc/43/64/30/412436430.db2.gz SVEFTPSCTXLCKP-UHFFFAOYSA-N -1 3 300.274 0.565 20 0 DBADHM c1cn(CCN2CCOCC2)nc1[N-]c1nccn2nnnc12 ZINC000531140320 412436604 /nfs/dbraw/zinc/43/66/04/412436604.db2.gz BKGMMNZOQXAYIV-UHFFFAOYSA-N -1 3 315.341 -0.208 20 0 DBADHM CCOC(=O)Cn1cnc(NC(=O)NCc2ncccc2[O-])n1 ZINC000425699753 412427150 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O=C(N[C@@H](CNC(=O)c1cccnn1)C1CC1)c1cn[n-]n1 ZINC001430033088 1006663657 /nfs/dbraw/zinc/66/36/57/1006663657.db2.gz YPICKZCPQNIEBL-JTQLQIEISA-N -1 3 301.310 -0.467 20 0 DBADHM COCC1(C(=O)N[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001430104722 1006689282 /nfs/dbraw/zinc/68/92/82/1006689282.db2.gz BRLKJGLOYUHKOH-JTQLQIEISA-N -1 3 320.349 -0.061 20 0 DBADHM Cc1nnccc1C(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001441545822 1006717001 /nfs/dbraw/zinc/71/70/01/1006717001.db2.gz NYWJSCPETLATGQ-VIFPVBQESA-N -1 3 319.369 -0.543 20 0 DBADHM C[C@@H](CN(C)C(=O)Cc1cscn1)NCc1nc(=O)n(C)[n-]1 ZINC001441597437 1006750144 /nfs/dbraw/zinc/75/01/44/1006750144.db2.gz TWIQGKTWWRZJLL-VIFPVBQESA-N -1 3 324.410 -0.256 20 0 DBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)NCc1nc(=O)n(C)[n-]1 ZINC001441597146 1006750993 /nfs/dbraw/zinc/75/09/93/1006750993.db2.gz SBIOLEGODIWYJG-WDEREUQCSA-N -1 3 311.386 -0.529 20 0 DBADHM O=C(CCc1c[nH]cn1)NC1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001430229997 1006777478 /nfs/dbraw/zinc/77/74/78/1006777478.db2.gz OJXFBDWVAFGQSL-UHFFFAOYSA-N -1 3 316.321 -0.521 20 0 DBADHM COC[C@H](OC)C(=O)N1CC(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001430272260 1006801993 /nfs/dbraw/zinc/80/19/93/1006801993.db2.gz BTYITMWOHFATGV-JTQLQIEISA-N -1 3 324.337 -0.907 20 0 DBADHM Cn1cc(CN[C@H](CO)CNC(=O)c2ncccc2[O-])cn1 ZINC001441695731 1006813636 /nfs/dbraw/zinc/81/36/36/1006813636.db2.gz JQDOUHYODCCGST-NSHDSACASA-N -1 3 305.338 -0.599 20 0 DBADHM Cc1nc([C@@H](C)N[C@@H](CO)CNC(=O)c2ncccc2[O-])n[nH]1 ZINC001441696818 1006813850 /nfs/dbraw/zinc/81/38/50/1006813850.db2.gz LFDZNZLTGMERIC-PSASIEDQSA-N -1 3 320.353 -0.345 20 0 DBADHM Cc1nocc1CN[C@@H](CO)CNC(=O)c1ncccc1[O-] ZINC001441697054 1006815415 /nfs/dbraw/zinc/81/54/15/1006815415.db2.gz MAGUGSTXQAAAKO-LLVKDONJSA-N -1 3 306.322 -0.036 20 0 DBADHM CCO[C@@H](C)C(=O)NCC1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001430336536 1006820018 /nfs/dbraw/zinc/82/00/18/1006820018.db2.gz VGRPNIXCYYMLHM-VIFPVBQESA-N -1 3 308.338 -0.205 20 0 DBADHM Cc1csc(CN[C@@H](CO)CNC(=O)c2cnc[n-]c2=O)n1 ZINC001441703709 1006821664 /nfs/dbraw/zinc/82/16/64/1006821664.db2.gz FEMYHDQDLBVGFR-SECBINFHSA-N -1 3 323.378 -0.172 20 0 DBADHM CSC[C@@H](C)C(=O)NC[C@@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001441797448 1006880029 /nfs/dbraw/zinc/88/00/29/1006880029.db2.gz ZEPLAWHOSZQWHO-RKDXNWHRSA-N -1 3 301.416 -0.298 20 0 DBADHM CC[C@@H](CNC(=O)c1cncnc1C)NC(=O)c1cn[n-]n1 ZINC001430526171 1006881891 /nfs/dbraw/zinc/88/18/91/1006881891.db2.gz FPPQXBYYSSQBOD-VIFPVBQESA-N -1 3 303.326 -0.158 20 0 DBADHM Cc1cncc(CN[C@@H](C)CNC(=O)c2n[nH]c(=O)[n-]c2=O)c1 ZINC001441868574 1006917585 /nfs/dbraw/zinc/91/75/85/1006917585.db2.gz ILUIKJQZAMUEGZ-VIFPVBQESA-N -1 3 318.337 -0.106 20 0 DBADHM CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2)CCC1 ZINC001598176581 1017241287 /nfs/dbraw/zinc/24/12/87/1017241287.db2.gz PVJFJXONHOPSKY-MNOVXSKESA-N -1 3 309.366 -0.482 20 0 DBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001430623447 1006939166 /nfs/dbraw/zinc/93/91/66/1006939166.db2.gz STKJANVNMAEJHH-MRVPVSSYSA-N -1 3 323.353 -0.669 20 0 DBADHM CC[C@@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)c1cn(C)nn1 ZINC001430631632 1006943366 /nfs/dbraw/zinc/94/33/66/1006943366.db2.gz MVTWYCLSKSAGPD-QMMMGPOBSA-N -1 3 319.325 -0.751 20 0 DBADHM CC[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)NC(=O)c1cn[n-]n1 ZINC001430645846 1006954894 /nfs/dbraw/zinc/95/48/94/1006954894.db2.gz DHVHVPJPYXFWHN-ZJUUUORDSA-N -1 3 322.369 -0.654 20 0 DBADHM CCOCC(=O)N1C[C@H](NCc2nc(=O)n(C)[n-]2)C(C)(C)C1 ZINC001441932664 1006972601 /nfs/dbraw/zinc/97/26/01/1006972601.db2.gz RXQBTEGCHNVUEL-JTQLQIEISA-N -1 3 311.386 -0.529 20 0 DBADHM COc1nc(C(=O)NC[C@@H](C)NC(=O)c2cnc[n-]c2=O)co1 ZINC001430673656 1006978705 /nfs/dbraw/zinc/97/87/05/1006978705.db2.gz GXYPCRZXLIGYMJ-SSDOTTSWSA-N -1 3 321.293 -0.273 20 0 DBADHM Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNCc2cnoc2C)c1[O-] ZINC001441972874 1007027731 /nfs/dbraw/zinc/02/77/31/1007027731.db2.gz MEXSPBOCARAJNN-NSHDSACASA-N -1 3 323.353 -0.057 20 0 DBADHM Cc1nnc(CNC[C@H](O)CN(C)C(=O)c2ncccc2[O-])[nH]1 ZINC001441975376 1007034145 /nfs/dbraw/zinc/03/41/45/1007034145.db2.gz WXPKVNWIZJANDN-JTQLQIEISA-N -1 3 320.353 -0.564 20 0 DBADHM Cc1nc(CNC[C@H](O)CN(C)C(=O)c2ncccc2[O-])n[nH]1 ZINC001441975376 1007034162 /nfs/dbraw/zinc/03/41/62/1007034162.db2.gz WXPKVNWIZJANDN-JTQLQIEISA-N -1 3 320.353 -0.564 20 0 DBADHM CN(C[C@@H](O)CNCc1ncccn1)C(=O)c1cnc[n-]c1=O ZINC001441977452 1007040138 /nfs/dbraw/zinc/04/01/38/1007040138.db2.gz GDIVOLUAYGUJCJ-JTQLQIEISA-N -1 3 318.337 -0.805 20 0 DBADHM C[C@@](CNC(=O)c1cnon1)(NC(=O)c1cn[n-]n1)C1CC1 ZINC001430811478 1007040145 /nfs/dbraw/zinc/04/01/45/1007040145.db2.gz KWESQTMECILNJQ-LBPRGKRZSA-N -1 3 305.298 -0.484 20 0 DBADHM COCC(=O)NC[C@](C)(NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001430802020 1007040454 /nfs/dbraw/zinc/04/04/54/1007040454.db2.gz BITOTOIBMWEWSC-AWEZNQCLSA-N -1 3 308.338 -0.157 20 0 DBADHM C[C@](CNC(=O)c1cnon1)(NC(=O)c1cn[n-]n1)C1CC1 ZINC001430811474 1007041326 /nfs/dbraw/zinc/04/13/26/1007041326.db2.gz KWESQTMECILNJQ-GFCCVEGCSA-N -1 3 305.298 -0.484 20 0 DBADHM CCn1ccc(C(=O)NC[C@@H](C)NCc2nc(=O)n(C)[n-]2)n1 ZINC001442001901 1007068874 /nfs/dbraw/zinc/06/88/74/1007068874.db2.gz QXWDWVWUBCBBJM-SECBINFHSA-N -1 3 307.358 -0.767 20 0 DBADHM C[C@H](CNC(=O)c1ccon1)CNC(=O)c1cnc[n-]c1=O ZINC001430977112 1007099327 /nfs/dbraw/zinc/09/93/27/1007099327.db2.gz AYTAMMGRKKPOAL-QMMMGPOBSA-N -1 3 305.294 -0.034 20 0 DBADHM C[C@H](CNC(=O)c1ccn[nH]1)CNC(=O)c1cnc[n-]c1=O ZINC001430978658 1007102073 /nfs/dbraw/zinc/10/20/73/1007102073.db2.gz UHQPACXXCUSPMD-QMMMGPOBSA-N -1 3 304.310 -0.299 20 0 DBADHM C[C@H](CCNC(=O)C[C@](C)(O)C1CC1)NC(=O)c1cn[n-]n1 ZINC001430980725 1007107966 /nfs/dbraw/zinc/10/79/66/1007107966.db2.gz OYAUQFOYVWLWHO-OTYXRUKQSA-N -1 3 309.370 -0.020 20 0 DBADHM CN(CCNC(=O)c1ccccc1[O-])C(=O)CCn1cnnn1 ZINC001431140544 1007211699 /nfs/dbraw/zinc/21/16/99/1007211699.db2.gz HGZSFWLJFOPYDI-UHFFFAOYSA-N -1 3 318.337 -0.343 20 0 DBADHM CC(C)[C@@H](CNC(=O)c1cncnc1)NC(=O)c1cn[n-]n1 ZINC001431227414 1007289744 /nfs/dbraw/zinc/28/97/44/1007289744.db2.gz ZIVCRSSKHAUTEL-SNVBAGLBSA-N -1 3 303.326 -0.221 20 0 DBADHM COCCN(CCNC(=O)c1ccccc1[O-])[C@@H](C)C(N)=O ZINC001442170331 1007291818 /nfs/dbraw/zinc/29/18/18/1007291818.db2.gz LDZJFVMRKIDBLR-NSHDSACASA-N -1 3 309.366 -0.056 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCNC(=O)c1cnnn1C ZINC001431232988 1007300754 /nfs/dbraw/zinc/30/07/54/1007300754.db2.gz REOUGJIYMLASPM-UHFFFAOYSA-N -1 3 319.325 -0.879 20 0 DBADHM Cc1nnccc1C(=O)NCC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001442277934 1007346320 /nfs/dbraw/zinc/34/63/20/1007346320.db2.gz YOGGDDHHZICXJE-MRVPVSSYSA-N -1 3 305.342 -0.093 20 0 DBADHM Cc1nonc1C(=O)NCCN(C)C(=O)c1cnc[n-]c1=O ZINC001431348181 1007362282 /nfs/dbraw/zinc/36/22/82/1007362282.db2.gz CCTHGNXWTBXQGV-UHFFFAOYSA-N -1 3 306.282 -0.624 20 0 DBADHM Cc1n[nH]c(C(=O)NCCN(C)C[C@H](O)Cn2cccn2)c1[O-] ZINC001442370892 1007375965 /nfs/dbraw/zinc/37/59/65/1007375965.db2.gz DFINHMJJYJIWPM-NSHDSACASA-N -1 3 322.369 -0.657 20 0 DBADHM Cc1n[nH]c(C(=O)NCCN(C)C[C@@H](O)Cn2cccn2)c1[O-] ZINC001442370868 1007377365 /nfs/dbraw/zinc/37/73/65/1007377365.db2.gz DFINHMJJYJIWPM-LLVKDONJSA-N -1 3 322.369 -0.657 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)NCCN(C)C(=O)Cc1cnoc1 ZINC001431441886 1007426209 /nfs/dbraw/zinc/42/62/09/1007426209.db2.gz XAJWKSIJWVVOKT-UHFFFAOYSA-N -1 3 319.321 -0.090 20 0 DBADHM C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001442441447 1007449059 /nfs/dbraw/zinc/44/90/59/1007449059.db2.gz ZDYFYSBUSHQNAI-ZJUUUORDSA-N -1 3 318.337 -0.298 20 0 DBADHM CN(CCNC(=O)c1[nH]nc2c1CCCC2)Cc1n[nH]c(=O)[n-]1 ZINC001442452086 1007454392 /nfs/dbraw/zinc/45/43/92/1007454392.db2.gz DWELNRLXIJNLKU-UHFFFAOYSA-N -1 3 319.369 -0.026 20 0 DBADHM O=C(NC[C@@H](O)CNC(=O)C1CC1)c1cccc2n[n-]nc21 ZINC001431466028 1007463266 /nfs/dbraw/zinc/46/32/66/1007463266.db2.gz QGCXXQFJCOXPJV-VIFPVBQESA-N -1 3 303.322 -0.425 20 0 DBADHM C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@H](C)NC(=O)c1cncnc1 ZINC001442467126 1007470184 /nfs/dbraw/zinc/47/01/84/1007470184.db2.gz HHSUWTTWTPSHEB-DTWKUNHWSA-N -1 3 316.321 -0.091 20 0 DBADHM Cc1nccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2cn[n-]n2)n1 ZINC001442528575 1007528923 /nfs/dbraw/zinc/52/89/23/1007528923.db2.gz ORXQDVRSOBPHPD-YUMQZZPRSA-N -1 3 303.326 -0.160 20 0 DBADHM Cc1nccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2cn[n-]n2)n1 ZINC001442528571 1007531065 /nfs/dbraw/zinc/53/10/65/1007531065.db2.gz ORXQDVRSOBPHPD-JGVFFNPUSA-N -1 3 303.326 -0.160 20 0 DBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001431524306 1007569000 /nfs/dbraw/zinc/56/90/00/1007569000.db2.gz UWOFROHPFXKKMM-WCBMZHEXSA-N -1 3 308.338 -0.565 20 0 DBADHM CC[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001431529845 1007577461 /nfs/dbraw/zinc/57/74/61/1007577461.db2.gz PVCTXARBTPXRCQ-VHSXEESVSA-N -1 3 310.354 -0.175 20 0 DBADHM CC[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001431529841 1007578201 /nfs/dbraw/zinc/57/82/01/1007578201.db2.gz PVCTXARBTPXRCQ-NXEZZACHSA-N -1 3 310.354 -0.175 20 0 DBADHM O=C(NC[C@@H](O)CNC(=O)C1(C2CC2)CC1)c1cnc[n-]c1=O ZINC001431536357 1007583828 /nfs/dbraw/zinc/58/38/28/1007583828.db2.gz HNFKXLZBMKZIMM-SNVBAGLBSA-N -1 3 320.349 -0.421 20 0 DBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)C(=O)c1cnc[n-]c1=O ZINC001442627525 1007584973 /nfs/dbraw/zinc/58/49/73/1007584973.db2.gz HFRYQONRYMAWGC-BDAKNGLRSA-N -1 3 323.353 -0.717 20 0 DBADHM C[C@H](CNC(=O)[C@@H]1COCCO1)N(C)C(=O)c1cnc[n-]c1=O ZINC001442647898 1007594150 /nfs/dbraw/zinc/59/41/50/1007594150.db2.gz HNXFPRUCHDGOKZ-KOLCDFICSA-N -1 3 324.337 -0.826 20 0 DBADHM CC(=O)NCC(=O)NC[C@@H](C)N(C)C(=O)c1c(C)nc[n-]c1=O ZINC001442647557 1007595439 /nfs/dbraw/zinc/59/54/39/1007595439.db2.gz RQFFLYHOZWZUPL-MRVPVSSYSA-N -1 3 323.353 -0.797 20 0 DBADHM CNC(=O)NCC(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001442657954 1007601417 /nfs/dbraw/zinc/60/14/17/1007601417.db2.gz CYGLRJGKAFKGGT-JTQLQIEISA-N -1 3 322.365 -0.102 20 0 DBADHM CCn1ccnc1C(=O)N[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001431625198 1007641796 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Cc1c[nH]nc1C(=O)NC[C@@H](CO)NC(=O)c1ccccc1[O-] ZINC001487991335 1014099480 /nfs/dbraw/zinc/09/94/80/1014099480.db2.gz WUKZNLCTNGEMDM-JTQLQIEISA-N -1 3 318.333 -0.056 20 0 DBADHM O=C(NC[C@H](CO)NC(=O)C1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001488019845 1014114393 /nfs/dbraw/zinc/11/43/93/1014114393.db2.gz KLGWRMGAIBFUMO-SNVBAGLBSA-N -1 3 320.349 -0.324 20 0 DBADHM O=C([O-])C[NH+]1CCC(NS(=O)(=O)c2cn[n-]c2Cl)CC1 ZINC001606244053 973523692 /nfs/dbraw/zinc/52/36/92/973523692.db2.gz SOTNVRQQQBRIPB-UHFFFAOYSA-N -1 3 322.774 -0.110 20 0 DBADHM O=C(N[C@@H](CO)CNC(=O)C1(C2CCC2)CCC1)c1cn[n-]n1 ZINC001488047309 1014137995 /nfs/dbraw/zinc/13/79/95/1014137995.db2.gz IWBZBKODFPNLEU-LLVKDONJSA-N -1 3 321.381 -0.018 20 0 DBADHM Cc1ccc(F)cc1C(=O)NC[C@H](CO)NC(=O)c1cn[n-]n1 ZINC001488049148 1014143437 /nfs/dbraw/zinc/14/34/37/1014143437.db2.gz PKZPYDVSJYPPJY-SNVBAGLBSA-N -1 3 321.312 -0.227 20 0 DBADHM CC[C@]1(C(=O)NCC[C@@H](C)NC(=O)c2cn[n-]n2)CCNC1=O ZINC001527620161 1014272729 /nfs/dbraw/zinc/27/27/29/1014272729.db2.gz QNKGOIFHUKCQJL-YMTOWFKASA-N -1 3 322.369 -0.654 20 0 DBADHM CNC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C[C@@H]1C ZINC001488180240 1014284020 /nfs/dbraw/zinc/28/40/20/1014284020.db2.gz OZXFQCMSLCZBGW-UWVGGRQHSA-N -1 3 322.369 -0.560 20 0 DBADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCC(F)(F)C1)C(N)=O ZINC000867022487 977409391 /nfs/dbraw/zinc/40/93/91/977409391.db2.gz ATMHSYIQAUALIT-JGVFFNPUSA-N -1 3 300.327 -0.159 20 0 DBADHM C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CN1C(=O)c1cncnc1 ZINC001012503223 977459301 /nfs/dbraw/zinc/45/93/01/977459301.db2.gz DRLAOSLJLCSELK-WPRPVWTQSA-N -1 3 301.310 -0.372 20 0 DBADHM Cc1ccc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H](O)C2)nn1 ZINC001051805217 977491229 /nfs/dbraw/zinc/49/12/29/977491229.db2.gz DICZBPZGWGZDBO-ONGXEEELSA-N -1 3 303.326 -0.727 20 0 DBADHM O=C(N[C@H]1CCN(c2cnc(F)cn2)C[C@@H]1O)c1cn[n-]n1 ZINC001051804942 977491651 /nfs/dbraw/zinc/49/16/51/977491651.db2.gz BCPKZFYJANLRRC-CBAPKCEASA-N -1 3 307.289 -0.897 20 0 DBADHM Cc1nsc(N2CC[C@H](NC(=O)c3cn[n-]n3)[C@H](O)C2)n1 ZINC001051804764 977492865 /nfs/dbraw/zinc/49/28/65/977492865.db2.gz ACTSGNFOCABQOD-IONNQARKSA-N -1 3 309.355 -0.666 20 0 DBADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@@H]1O)c1cn[n-]n1 ZINC001051807457 977497539 /nfs/dbraw/zinc/49/75/39/977497539.db2.gz UPDYTMZQZLIGDM-APPZFPTMSA-N -1 3 323.744 -0.382 20 0 DBADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@H]1O)c1cn[n-]n1 ZINC001051807463 977499478 /nfs/dbraw/zinc/49/94/78/977499478.db2.gz UPDYTMZQZLIGDM-VXNVDRBHSA-N -1 3 323.744 -0.382 20 0 DBADHM O=C(c1ncccc1[O-])N1CC[C@H](N2CCN(CCO)CC2)C1 ZINC001052017756 977605022 /nfs/dbraw/zinc/60/50/22/977605022.db2.gz UBURTHUDIHZNFY-ZDUSSCGKSA-N -1 3 320.393 -0.388 20 0 DBADHM O=C(Cc1nnc[nH]1)N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052852761 977823639 /nfs/dbraw/zinc/82/36/39/977823639.db2.gz KEWDINPTGGHEKF-SECBINFHSA-N -1 3 320.357 -0.658 20 0 DBADHM COC[C@H](C)N1CC2(C1)CN(C(=O)c1cnc[n-]c1=O)CCO2 ZINC001053301840 977912760 /nfs/dbraw/zinc/91/27/60/977912760.db2.gz YKSYWQHZIHTNHI-NSHDSACASA-N -1 3 322.365 -0.256 20 0 DBADHM CO[C@@H](C)CN1CC2(C1)CN(C(=O)c1cnc[n-]c1=O)CCO2 ZINC001053301148 977913731 /nfs/dbraw/zinc/91/37/31/977913731.db2.gz GYXFKHAGQQEEEV-NSHDSACASA-N -1 3 322.365 -0.256 20 0 DBADHM CN(CCNC(=O)CCn1cnnn1)C(=O)c1ccccc1[O-] ZINC001528564292 1014439334 /nfs/dbraw/zinc/43/93/34/1014439334.db2.gz KYVVCRQXGPTWOF-UHFFFAOYSA-N -1 3 318.337 -0.343 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)N1CCOC2(CN(CCCO)C2)C1 ZINC001053390003 977944461 /nfs/dbraw/zinc/94/44/61/977944461.db2.gz QHTNUFKCRBKTSH-UHFFFAOYSA-N -1 3 322.365 -0.600 20 0 DBADHM COCCN1CC2(C1)CC[C@H](CNC(=O)c1cnc[n-]c1=O)O2 ZINC001053615321 978010858 /nfs/dbraw/zinc/01/08/58/978010858.db2.gz JEVJWVCQPZVTJG-LLVKDONJSA-N -1 3 322.365 -0.208 20 0 DBADHM O=C(NC[C@H]1CCC2(CN(CCCO)C2)O1)c1cnc[n-]c1=O ZINC001053615219 978011249 /nfs/dbraw/zinc/01/12/49/978011249.db2.gz FPWPTKCMZKEKEK-LLVKDONJSA-N -1 3 322.365 -0.472 20 0 DBADHM Cc1nocc1CN1CC2(C1)C[C@H](NC(=O)c1cn[n-]n1)CO2 ZINC001053855627 978111247 /nfs/dbraw/zinc/11/12/47/978111247.db2.gz SCNVFQUYKVEYHR-NSHDSACASA-N -1 3 318.337 -0.126 20 0 DBADHM O=C(N[C@H]1COC2(CN(Cc3nncs3)C2)C1)c1cn[n-]n1 ZINC001053855720 978115603 /nfs/dbraw/zinc/11/56/03/978115603.db2.gz VBUXFHVZVSDFRA-MRVPVSSYSA-N -1 3 321.366 -0.571 20 0 DBADHM Cc1oncc1CN1CC2(C1)C[C@H](NC(=O)c1cn[n-]n1)CO2 ZINC001053861845 978121502 /nfs/dbraw/zinc/12/15/02/978121502.db2.gz XIRXYBRAVNQGEY-NSHDSACASA-N -1 3 318.337 -0.126 20 0 DBADHM CCO[C@@H](C)C(=O)N1CCC[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001207465201 978203433 /nfs/dbraw/zinc/20/34/33/978203433.db2.gz ZPKKKIVEPXZQFL-QWRGUYRKSA-N -1 3 311.386 -0.386 20 0 DBADHM CO[C@H](C)CC(=O)N1CCC[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001207646730 978223465 /nfs/dbraw/zinc/22/34/65/978223465.db2.gz WGBWRLHTDASDOM-GHMZBOCLSA-N -1 3 311.386 -0.386 20 0 DBADHM Cc1cc2nc(NC([O-])=NOCC(N)=O)cc(N(C)C)n2n1 ZINC001207886681 978272956 /nfs/dbraw/zinc/27/29/56/978272956.db2.gz RDPZSNXKVXISHQ-UHFFFAOYSA-N -1 3 307.314 -0.358 20 0 DBADHM Cc1cc2nc(NC(=O)[N-]OCC(N)=O)cc(N(C)C)n2n1 ZINC001207886681 978272964 /nfs/dbraw/zinc/27/29/64/978272964.db2.gz RDPZSNXKVXISHQ-UHFFFAOYSA-N -1 3 307.314 -0.358 20 0 DBADHM CC[C@@H](C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C)N(C)C ZINC001208699753 978401222 /nfs/dbraw/zinc/40/12/22/978401222.db2.gz SFQUFMPVOVRISM-MXWKQRLJSA-N -1 3 310.402 -0.213 20 0 DBADHM COC(=O)CCCNC(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001210458312 978516418 /nfs/dbraw/zinc/51/64/18/978516418.db2.gz LOPGRVUYLLZBNA-UHFFFAOYSA-N -1 3 310.314 -0.228 20 0 DBADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCN(C)OC ZINC001212476288 978659341 /nfs/dbraw/zinc/65/93/41/978659341.db2.gz WSOFTGLNNDQYMV-UHFFFAOYSA-N -1 3 320.371 -0.334 20 0 DBADHM CCS(=O)(CC)=NS(=O)(=O)[N-]CCCc1nnnn1C ZINC001214004118 978704173 /nfs/dbraw/zinc/70/41/73/978704173.db2.gz ZZVMEOAOVFTZJS-UHFFFAOYSA-N -1 3 324.432 -0.515 20 0 DBADHM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)CCCCF ZINC001214113535 978712765 /nfs/dbraw/zinc/71/27/65/978712765.db2.gz ZRIROAAOZLJEOE-VIFPVBQESA-N -1 3 313.347 -0.040 20 0 DBADHM CCOC(=O)c1cc(NC(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)[n-]n1 ZINC001218509992 978825270 /nfs/dbraw/zinc/82/52/70/978825270.db2.gz QRCFDBDCCUVDTF-JJHYMCDRSA-N -1 3 324.337 -0.344 20 0 DBADHM CCOC(=O)c1cc(NC(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O)n[n-]1 ZINC001218509992 978825271 /nfs/dbraw/zinc/82/52/71/978825271.db2.gz QRCFDBDCCUVDTF-JJHYMCDRSA-N -1 3 324.337 -0.344 20 0 DBADHM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001218511827 978827101 /nfs/dbraw/zinc/82/71/01/978827101.db2.gz VAEZBSNRSBNFIG-SLPGGIOYSA-N -1 3 321.259 -0.107 20 0 DBADHM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001218511827 978827103 /nfs/dbraw/zinc/82/71/03/978827103.db2.gz VAEZBSNRSBNFIG-SLPGGIOYSA-N -1 3 321.259 -0.107 20 0 DBADHM CSc1nc(NC(=O)[C@@H]2CCCN2C(=O)CN)cc(=O)[n-]1 ZINC001218584496 978833827 /nfs/dbraw/zinc/83/38/27/978833827.db2.gz RGBRZTZYTRMVEA-ZETCQYMHSA-N -1 3 311.367 -0.208 20 0 DBADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218587828 978833981 /nfs/dbraw/zinc/83/39/81/978833981.db2.gz NUOYGVXLAZVQOU-VKHMYHEASA-N -1 3 308.693 -0.972 20 0 DBADHM COC(=O)c1c(C)scc1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218667400 978842255 /nfs/dbraw/zinc/84/22/55/978842255.db2.gz OMXZDUQXNILWKK-LURJTMIESA-N -1 3 310.339 -0.135 20 0 DBADHM COC(=O)c1c(C)scc1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218667400 978842257 /nfs/dbraw/zinc/84/22/57/978842257.db2.gz OMXZDUQXNILWKK-LURJTMIESA-N -1 3 310.339 -0.135 20 0 DBADHM Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001218741283 978849790 /nfs/dbraw/zinc/84/97/90/978849790.db2.gz KOVOXDIUTJDGGT-VIFPVBQESA-N -1 3 313.325 -0.403 20 0 DBADHM Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001218741283 978849794 /nfs/dbraw/zinc/84/97/94/978849794.db2.gz KOVOXDIUTJDGGT-VIFPVBQESA-N -1 3 313.325 -0.403 20 0 DBADHM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1cccc(-c2nnco2)c1 ZINC001218859891 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376585247 /nfs/dbraw/zinc/58/52/47/376585247.db2.gz DAZIQEXSVNZCFE-SNVBAGLBSA-N -1 3 305.338 -0.152 20 0 DBADHM NS(=O)(=O)[C@H]1CCCN(CCC[N-]C(=O)C(F)(F)F)C1 ZINC000373252467 376712512 /nfs/dbraw/zinc/71/25/12/376712512.db2.gz NMPWWCLKRCMTCA-QMMMGPOBSA-N -1 3 317.333 -0.192 20 0 DBADHM COC(=O)Cn1cc([N-]S(=O)(=O)N2CCOCC2)cn1 ZINC000038030629 376735052 /nfs/dbraw/zinc/73/50/52/376735052.db2.gz OOFGCFUQFZSJEL-UHFFFAOYSA-N -1 3 304.328 -0.955 20 0 DBADHM O=C(NC1=NCC(=O)N1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000617160094 376735527 /nfs/dbraw/zinc/73/55/27/376735527.db2.gz AVTSPKSFHFAHJI-JTQLQIEISA-N -1 3 316.317 -0.401 20 0 DBADHM O=C(CC[C@H]1NC(=O)[N-]C1=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000365542112 376749089 /nfs/dbraw/zinc/74/90/89/376749089.db2.gz FJMSCGLMVPLLQM-VXGBXAGGSA-N -1 3 324.381 -0.845 20 0 DBADHM O=C(NCC[C@@H]1CCCOC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000637319131 376786173 /nfs/dbraw/zinc/78/61/73/376786173.db2.gz OTQBBIQWSOKDFB-QWRGUYRKSA-N -1 3 310.354 -0.251 20 0 DBADHM 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377012248 /nfs/dbraw/zinc/01/22/48/377012248.db2.gz QTSZJHLJMBSJJA-UHFFFAOYSA-N -1 3 315.311 -0.660 20 0 DBADHM COC(=O)c1cc(S(=O)(=O)[N-]CCOCC(N)=O)c(C)o1 ZINC000339043481 377012415 /nfs/dbraw/zinc/01/24/15/377012415.db2.gz ONFJPEJLPKJDTJ-UHFFFAOYSA-N -1 3 320.323 -0.845 20 0 DBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCCO)s1 ZINC000339619231 377045247 /nfs/dbraw/zinc/04/52/47/377045247.db2.gz PWNZUKVJLVJUOR-UHFFFAOYSA-N -1 3 307.397 -0.162 20 0 DBADHM CN(C)c1nc(C(=O)NC[C@H](O)COCC2CC2)cc(=O)[n-]1 ZINC000338836876 376981144 /nfs/dbraw/zinc/98/11/44/376981144.db2.gz VNIJNOHFHDIMIK-JTQLQIEISA-N -1 3 310.354 -0.235 20 0 DBADHM COC(=O)[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCO1 ZINC000338841318 376983624 /nfs/dbraw/zinc/98/36/24/376983624.db2.gz NMMUXXCGNYYTFE-VIFPVBQESA-N -1 3 310.310 -0.738 20 0 DBADHM CN(C)c1nc(C(=O)N2CCS(=O)(=O)CC2)cc(=O)[n-]1 ZINC000338844457 376983662 /nfs/dbraw/zinc/98/36/62/376983662.db2.gz NZQFAYCDKFLIOY-UHFFFAOYSA-N -1 3 300.340 -0.881 20 0 DBADHM CNC(=O)N[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338875973 376987891 /nfs/dbraw/zinc/98/78/91/376987891.db2.gz ZHWGVBKPWYAHOG-MRVPVSSYSA-N -1 3 308.342 -0.608 20 0 DBADHM CNC(=O)[C@]1(C)CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000338915759 376994164 /nfs/dbraw/zinc/99/41/64/376994164.db2.gz QQHYWSJBIGBYQX-CQSZACIVSA-N -1 3 307.354 -0.154 20 0 DBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)Nc2ccnn2C)cn1C ZINC000338922838 376994220 /nfs/dbraw/zinc/99/42/20/376994220.db2.gz APTJMKLXMCROEF-UHFFFAOYSA-N -1 3 312.355 -0.621 20 0 DBADHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)CC[C@@H]1CCOC1 ZINC000338954454 376996389 /nfs/dbraw/zinc/99/63/89/376996389.db2.gz ZKZRVSTZWTZNEU-CMPLNLGQSA-N -1 3 309.384 -0.354 20 0 DBADHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H](C)COC1CCCC1 ZINC000338952278 376996471 /nfs/dbraw/zinc/99/64/71/376996471.db2.gz FLSVZWMQOMUNFI-ZYHUDNBSSA-N -1 3 322.427 -0.392 20 0 DBADHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCn2ncnn2)cc1 ZINC000338965084 377000037 /nfs/dbraw/zinc/00/00/37/377000037.db2.gz 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ZINC000332097209 377086159 /nfs/dbraw/zinc/08/61/59/377086159.db2.gz AAADJFLOHHFYBD-WCABBAIRSA-N -1 3 306.384 -0.118 20 0 DBADHM COC(=O)CN(CCN1CCOCC1)C(=O)c1cncc([O-])c1 ZINC000339939237 377158475 /nfs/dbraw/zinc/15/84/75/377158475.db2.gz VBGNCPQPUIRHDA-UHFFFAOYSA-N -1 3 323.349 -0.265 20 0 DBADHM O=C(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)NCC(F)F ZINC000366544929 377161167 /nfs/dbraw/zinc/16/11/67/377161167.db2.gz UCXHYXMHCQSXQJ-UHFFFAOYSA-N -1 3 322.337 -0.121 20 0 DBADHM C[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)C(=O)Nc1ccccc1 ZINC000339981170 377173872 /nfs/dbraw/zinc/17/38/72/377173872.db2.gz QPRFQZROIWOSOC-SCZZXKLOSA-N -1 3 304.306 -0.272 20 0 DBADHM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C ZINC000262316337 377270306 /nfs/dbraw/zinc/27/03/06/377270306.db2.gz QWVBUDZDUPJIAI-YGRLFVJLSA-N -1 3 319.365 -0.367 20 0 DBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)CCO ZINC000340029286 377205800 /nfs/dbraw/zinc/20/58/00/377205800.db2.gz SBHPEXVPCATGCE-APPZFPTMSA-N -1 3 319.383 -0.155 20 0 DBADHM CC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000268064181 377339735 /nfs/dbraw/zinc/33/97/35/377339735.db2.gz ABFTVLHUHKYGAG-SNVBAGLBSA-N -1 3 316.383 -0.664 20 0 DBADHM Cc1ncc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)cn1 ZINC000268081071 377340262 /nfs/dbraw/zinc/34/02/62/377340262.db2.gz GLCXGEQGCHKYRA-UHFFFAOYSA-N -1 3 310.339 -0.564 20 0 DBADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000264597746 377322956 /nfs/dbraw/zinc/32/29/56/377322956.db2.gz CLMWGMKOUOZGPV-QMMMGPOBSA-N -1 3 309.351 -0.084 20 0 DBADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000264597746 377322965 /nfs/dbraw/zinc/32/29/65/377322965.db2.gz CLMWGMKOUOZGPV-QMMMGPOBSA-N -1 3 309.351 -0.084 20 0 DBADHM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000268064179 377340490 /nfs/dbraw/zinc/34/04/90/377340490.db2.gz ABFTVLHUHKYGAG-JTQLQIEISA-N -1 3 316.383 -0.664 20 0 DBADHM Cc1cccc(OC[C@H](O)CNC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000264650855 377325209 /nfs/dbraw/zinc/32/52/09/377325209.db2.gz GKVONTHCPHZTFO-LLVKDONJSA-N -1 3 321.333 -0.597 20 0 DBADHM CO[C@H](C)CCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268074610 377340662 /nfs/dbraw/zinc/34/06/62/377340662.db2.gz DORBKMLMAQTSPV-SECBINFHSA-N -1 3 304.372 -0.760 20 0 DBADHM O=C(C[C@@H]1COCCN1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000262532711 377279525 /nfs/dbraw/zinc/27/95/25/377279525.db2.gz MGLWWYGDUNOCSG-GFCCVEGCSA-N -1 3 302.338 -0.139 20 0 DBADHM O=C(C[C@@H]1COCCN1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000262532711 377279535 /nfs/dbraw/zinc/27/95/35/377279535.db2.gz MGLWWYGDUNOCSG-GFCCVEGCSA-N -1 3 302.338 -0.139 20 0 DBADHM COCCN(C)CCNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000263745887 377291133 /nfs/dbraw/zinc/29/11/33/377291133.db2.gz JAQLIGRWXVDVJM-UHFFFAOYSA-N -1 3 321.337 -0.256 20 0 DBADHM O=C(c1[nH]ncc1C(F)(F)F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000631619981 377296473 /nfs/dbraw/zinc/29/64/73/377296473.db2.gz BZBPWJXGRLMIEG-ZCFIWIBFSA-N -1 3 317.227 -0.195 20 0 DBADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)OC ZINC000264065383 377303957 /nfs/dbraw/zinc/30/39/57/377303957.db2.gz JTLISOZVPZBVHD-QMMMGPOBSA-N -1 3 319.339 -0.888 20 0 DBADHM C[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)[C@H](C)N1CCOCC1 ZINC000264287191 377308915 /nfs/dbraw/zinc/30/89/15/377308915.db2.gz PSNYDDSZIRCZRZ-UWVGGRQHSA-N -1 3 310.354 -0.675 20 0 DBADHM COc1ccc(CN(C)C(=O)CN2CC(=O)[N-]C2=O)cc1O ZINC000268474328 377358891 /nfs/dbraw/zinc/35/88/91/377358891.db2.gz LEFZMEMMCBLVHO-UHFFFAOYSA-N -1 3 307.306 -0.089 20 0 DBADHM COC[C@@H](O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000268685323 377369946 /nfs/dbraw/zinc/36/99/46/377369946.db2.gz VJVGIPRONBDXIC-IUCAKERBSA-N -1 3 322.408 -0.462 20 0 DBADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC(=O)NC(N)=O ZINC000268773707 377373625 /nfs/dbraw/zinc/37/36/25/377373625.db2.gz GEVHZLCIKTXNCO-UHFFFAOYSA-N -1 3 323.762 -0.755 20 0 DBADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)CCO)c1 ZINC000268929063 377378199 /nfs/dbraw/zinc/37/81/99/377378199.db2.gz XNWLSBAPFRGMJH-UHFFFAOYSA-N -1 3 318.399 -0.777 20 0 DBADHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000269019660 377380636 /nfs/dbraw/zinc/38/06/36/377380636.db2.gz UVRYNAZMNBKAIY-JTQLQIEISA-N -1 3 322.365 -0.412 20 0 DBADHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCCO1 ZINC000268087792 377341505 /nfs/dbraw/zinc/34/15/05/377341505.db2.gz ICLQDRXJGIPTOS-SNVBAGLBSA-N -1 3 316.383 -0.664 20 0 DBADHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1ccc(OC)nc1 ZINC000268162105 377344926 /nfs/dbraw/zinc/34/49/26/377344926.db2.gz XSUOHJFYEKMLAT-UHFFFAOYSA-N -1 3 317.367 -0.015 20 0 DBADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(N)=O)O1 ZINC000268341832 377351650 /nfs/dbraw/zinc/35/16/50/377351650.db2.gz LFYRXUWFUXNLFL-DTWKUNHWSA-N -1 3 303.340 -0.397 20 0 DBADHM C[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(N)=O ZINC000268374759 377352206 /nfs/dbraw/zinc/35/22/06/377352206.db2.gz HLHTUXWNWUMIDK-LURJTMIESA-N -1 3 324.355 -0.619 20 0 DBADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)C2CC2)c(C)o1 ZINC000268429530 377357880 /nfs/dbraw/zinc/35/78/80/377357880.db2.gz RSFRVOHAOUUERU-JTQLQIEISA-N -1 3 302.352 -0.003 20 0 DBADHM COC[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000269796507 377421167 /nfs/dbraw/zinc/42/11/67/377421167.db2.gz OBKRPFQFKPGPFJ-MRVPVSSYSA-N -1 3 307.324 -0.340 20 0 DBADHM CS[C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000269826787 377423422 /nfs/dbraw/zinc/42/34/22/377423422.db2.gz KJHOYAFCGUNFHV-QMMMGPOBSA-N -1 3 306.413 -0.434 20 0 DBADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c(=O)[n-]c1=O ZINC000269850142 377423599 /nfs/dbraw/zinc/42/35/99/377423599.db2.gz KICORNNIGSWTKE-SNVBAGLBSA-N -1 3 315.333 -0.110 20 0 DBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c(=O)[n-]c1=O ZINC000269850138 377423644 /nfs/dbraw/zinc/42/36/44/377423644.db2.gz KICORNNIGSWTKE-JTQLQIEISA-N -1 3 315.333 -0.110 20 0 DBADHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000269932699 377427334 /nfs/dbraw/zinc/42/73/34/377427334.db2.gz HWIAHLJBKSSPQS-SNVBAGLBSA-N -1 3 303.322 -0.672 20 0 DBADHM O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000269932695 377428574 /nfs/dbraw/zinc/42/85/74/377428574.db2.gz HWIAHLJBKSSPQS-JTQLQIEISA-N -1 3 303.322 -0.672 20 0 DBADHM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000270207348 377442441 /nfs/dbraw/zinc/44/24/41/377442441.db2.gz NKYUWHKBVQJXKH-LURJTMIESA-N -1 3 315.804 -0.215 20 0 DBADHM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000270207350 377442760 /nfs/dbraw/zinc/44/27/60/377442760.db2.gz NKYUWHKBVQJXKH-ZCFIWIBFSA-N -1 3 315.804 -0.215 20 0 DBADHM CC(C)C[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000270389535 377447842 /nfs/dbraw/zinc/44/78/42/377447842.db2.gz XKOVAHAWYXQEFY-JTQLQIEISA-N -1 3 318.399 -0.778 20 0 DBADHM COCCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269498545 377402936 /nfs/dbraw/zinc/40/29/36/377402936.db2.gz WIEVQUAAVDGXNZ-UHFFFAOYSA-N -1 3 307.397 -0.028 20 0 DBADHM COC(=O)C[C@@H]1CN(CCCOC([O-])=NC(N)=O)CCO1 ZINC000270505843 377451521 /nfs/dbraw/zinc/45/15/21/377451521.db2.gz QWHVXZFFKAGRSR-SECBINFHSA-N -1 3 303.315 -0.555 20 0 DBADHM COC(=O)C[C@@H]1CN(CCCOC(=O)N=C(N)[O-])CCO1 ZINC000270505843 377451528 /nfs/dbraw/zinc/45/15/28/377451528.db2.gz QWHVXZFFKAGRSR-SECBINFHSA-N -1 3 303.315 -0.555 20 0 DBADHM COC(=O)C[C@@H]1CN(CCCOC(=O)[N-]C(N)=O)CCO1 ZINC000270505843 377451535 /nfs/dbraw/zinc/45/15/35/377451535.db2.gz QWHVXZFFKAGRSR-SECBINFHSA-N -1 3 303.315 -0.555 20 0 DBADHM CC(=O)NCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269520905 377405330 /nfs/dbraw/zinc/40/53/30/377405330.db2.gz LZZXXXCXEPMPLR-UHFFFAOYSA-N -1 3 305.381 -0.721 20 0 DBADHM C[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269564561 377408135 /nfs/dbraw/zinc/40/81/35/377408135.db2.gz VKSDGRXFXBDWKP-QMMMGPOBSA-N -1 3 307.397 -0.294 20 0 DBADHM Cn1cnc(S(=O)(=O)[N-]CCCN2CCC(O)CC2)c1 ZINC000269660250 377415022 /nfs/dbraw/zinc/41/50/22/377415022.db2.gz BCQHIGPLWFQOPY-UHFFFAOYSA-N -1 3 302.400 -0.455 20 0 DBADHM COC(=O)c1csc(S(=O)(=O)[N-]CC2(CO)COC2)c1 ZINC000269684403 377416915 /nfs/dbraw/zinc/41/69/15/377416915.db2.gz GWFHVRRWZJWBMG-UHFFFAOYSA-N -1 3 321.376 -0.178 20 0 DBADHM CCc1nn(C)c(OC)c1CNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000271617313 377501432 /nfs/dbraw/zinc/50/14/32/377501432.db2.gz XVGJBGQNEJYEMP-UHFFFAOYSA-N -1 3 321.337 -0.280 20 0 DBADHM COC(=O)[C@@H](NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1ccccc1 ZINC000270558648 377455090 /nfs/dbraw/zinc/45/50/90/377455090.db2.gz CBCILJSOAKHOHJ-ONGXEEELSA-N -1 3 305.290 -0.385 20 0 DBADHM Cc1cnc(N2CCN(C(=O)C[C@@H]3NC(=O)[N-]C3=O)CC2)s1 ZINC000270595161 377456926 /nfs/dbraw/zinc/45/69/26/377456926.db2.gz MSSZJXGOJVYLOD-VIFPVBQESA-N -1 3 323.378 -0.302 20 0 DBADHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cc(OC)ccn1 ZINC000270580711 377457072 /nfs/dbraw/zinc/45/70/72/377457072.db2.gz RZGAUVJTZNYSIZ-UHFFFAOYSA-N -1 3 317.367 -0.015 20 0 DBADHM COCCOc1ccccc1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000270655313 377460671 /nfs/dbraw/zinc/46/06/71/377460671.db2.gz LDJKRHMMEFYYRY-NSHDSACASA-N -1 3 321.333 -0.074 20 0 DBADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000270705552 377461948 /nfs/dbraw/zinc/46/19/48/377461948.db2.gz BWJGLPCIHLNXKE-ZJUUUORDSA-N -1 3 304.306 -0.341 20 0 DBADHM C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000270872532 377472760 /nfs/dbraw/zinc/47/27/60/377472760.db2.gz BDJDFYRYHZPRNY-SSDOTTSWSA-N -1 3 322.770 -0.137 20 0 DBADHM CCOC(=O)c1cc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)cn1C ZINC000270861140 377472931 /nfs/dbraw/zinc/47/29/31/377472931.db2.gz ZQHFIBFFMQXPJS-QMMMGPOBSA-N -1 3 308.294 -0.262 20 0 DBADHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N(CCCO)Cc1ccccc1 ZINC000270866256 377473470 /nfs/dbraw/zinc/47/34/70/377473470.db2.gz MWPYRRQREVPQPA-LBPRGKRZSA-N -1 3 305.334 -0.004 20 0 DBADHM O=C1CN(CCC[N-]S(=O)(=O)c2cccs2)CCN1 ZINC000271177350 377484200 /nfs/dbraw/zinc/48/42/00/377484200.db2.gz WHRJEMWTUHEMIC-UHFFFAOYSA-N -1 3 303.409 -0.152 20 0 DBADHM COc1ccc(COCCNC(=O)C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000271390425 377495290 /nfs/dbraw/zinc/49/52/90/377495290.db2.gz LEDCJNIHLSUXIX-LBPRGKRZSA-N -1 3 321.333 -0.074 20 0 DBADHM C[C@@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000271446085 377496890 /nfs/dbraw/zinc/49/68/90/377496890.db2.gz QMTXQGWLURRVDC-ZJUUUORDSA-N -1 3 316.383 -0.618 20 0 DBADHM C[C@H]1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)CCO1 ZINC000271446081 377497215 /nfs/dbraw/zinc/49/72/15/377497215.db2.gz QMTXQGWLURRVDC-UWVGGRQHSA-N -1 3 316.383 -0.618 20 0 DBADHM CNS(=O)(=O)CCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000275944823 377538693 /nfs/dbraw/zinc/53/86/93/377538693.db2.gz YHSVOTSCFLFUEU-UHFFFAOYSA-N -1 3 315.351 -0.370 20 0 DBADHM COC(=O)[C@@H]1[C@@H](O)CCCN1CCCOC([O-])=NC(N)=O ZINC000275510406 377531309 /nfs/dbraw/zinc/53/13/09/377531309.db2.gz HURBDNQTPXXPJQ-IUCAKERBSA-N -1 3 303.315 -0.820 20 0 DBADHM COC(=O)[C@@H]1[C@@H](O)CCCN1CCCOC(=O)N=C(N)[O-] ZINC000275510406 377531318 /nfs/dbraw/zinc/53/13/18/377531318.db2.gz HURBDNQTPXXPJQ-IUCAKERBSA-N -1 3 303.315 -0.820 20 0 DBADHM COC(=O)[C@@H]1[C@@H](O)CCCN1CCCOC(=O)[N-]C(N)=O ZINC000275510406 377531323 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NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826389955 607741387 /nfs/dbraw/zinc/74/13/87/607741387.db2.gz MOTOIUGIBLGILK-HTQZYQBOSA-N -1 3 303.326 -0.031 20 0 DBADHM C[C@H](O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC000824707721 607743383 /nfs/dbraw/zinc/74/33/83/607743383.db2.gz UQXQPNLXKIIERN-UWVGGRQHSA-N -1 3 319.369 -0.278 20 0 DBADHM COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000826123584 607745775 /nfs/dbraw/zinc/74/57/75/607745775.db2.gz HFMXNBVGSDMYQM-GFCCVEGCSA-N -1 3 308.273 -0.078 20 0 DBADHM COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000826123584 607745776 /nfs/dbraw/zinc/74/57/76/607745776.db2.gz HFMXNBVGSDMYQM-GFCCVEGCSA-N -1 3 308.273 -0.078 20 0 DBADHM O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826433433 607753074 /nfs/dbraw/zinc/75/30/74/607753074.db2.gz GJRQFMCWDIWOQL-CYBMUJFWSA-N -1 3 306.326 -0.286 20 0 DBADHM O=C(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826433433 607753075 /nfs/dbraw/zinc/75/30/75/607753075.db2.gz GJRQFMCWDIWOQL-CYBMUJFWSA-N -1 3 306.326 -0.286 20 0 DBADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC000834187869 605449730 /nfs/dbraw/zinc/44/97/30/605449730.db2.gz MQWMYMXKHUGUNT-IJLUTSLNSA-N -1 3 324.381 -0.687 20 0 DBADHM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000834187868 605450393 /nfs/dbraw/zinc/45/03/93/605450393.db2.gz MQWMYMXKHUGUNT-GRYCIOLGSA-N -1 3 324.381 -0.687 20 0 DBADHM C[C@H](C(N)=O)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824052957 608250627 /nfs/dbraw/zinc/25/06/27/608250627.db2.gz TYBDGFYWVBNDRT-MRVPVSSYSA-N -1 3 324.366 -0.498 20 0 DBADHM C[C@H](C(N)=O)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824052957 608250628 /nfs/dbraw/zinc/25/06/28/608250628.db2.gz TYBDGFYWVBNDRT-MRVPVSSYSA-N -1 3 324.366 -0.498 20 0 DBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)C(N)=O ZINC000826279093 608250840 /nfs/dbraw/zinc/25/08/40/608250840.db2.gz FMRBYZFVTIPJRQ-MRVPVSSYSA-N -1 3 324.366 -0.331 20 0 DBADHM O=C([O-])N1CCC[C@@H](NCCS(=O)(=O)N2CCOCC2)C1 ZINC000834101538 605635129 /nfs/dbraw/zinc/63/51/29/605635129.db2.gz SWIFKMPOBYHWPV-LLVKDONJSA-N -1 3 321.399 -0.620 20 0 DBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCOC1 ZINC000826411955 607771270 /nfs/dbraw/zinc/77/12/70/607771270.db2.gz VFWUGZLKFVKXMD-NSHDSACASA-N -1 3 316.321 -0.498 20 0 DBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCOC1 ZINC000826411955 607771271 /nfs/dbraw/zinc/77/12/71/607771271.db2.gz VFWUGZLKFVKXMD-NSHDSACASA-N -1 3 316.321 -0.498 20 0 DBADHM NC(=O)c1cnn2cc(CNC[C@@H](NC(=O)[O-])C3CC3)cnc12 ZINC000833986070 605825357 /nfs/dbraw/zinc/82/53/57/605825357.db2.gz GRAAUVURCGMMAW-LLVKDONJSA-N -1 3 318.337 -0.036 20 0 DBADHM NC(=O)c1cnn2cc(CNC[C@H](NC(=O)[O-])C3CC3)cnc12 ZINC000833986071 605825397 /nfs/dbraw/zinc/82/53/97/605825397.db2.gz GRAAUVURCGMMAW-NSHDSACASA-N -1 3 318.337 -0.036 20 0 DBADHM O=C([O-])N[C@@H]1CCC[C@@H]1NCCS(=O)(=O)N1CCOCC1 ZINC000834177647 605986329 /nfs/dbraw/zinc/98/63/29/605986329.db2.gz WWYGLKVBDFRVFX-WDEREUQCSA-N -1 3 321.399 -0.573 20 0 DBADHM O=C([O-])NCCNC(=O)[C@H]1CCCN(C[C@@H]2CNC(=O)O2)C1 ZINC000834239650 606025975 /nfs/dbraw/zinc/02/59/75/606025975.db2.gz CUAXAUQQTAGIIH-UWVGGRQHSA-N -1 3 314.342 -0.809 20 0 DBADHM NS(=O)(=O)CC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822895740 606083834 /nfs/dbraw/zinc/08/38/34/606083834.db2.gz WSPJQPQBGFKMBV-UHFFFAOYSA-N -1 3 323.382 -0.233 20 0 DBADHM NS(=O)(=O)CC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822895740 606083839 /nfs/dbraw/zinc/08/38/39/606083839.db2.gz WSPJQPQBGFKMBV-UHFFFAOYSA-N -1 3 323.382 -0.233 20 0 DBADHM NS(=O)(=O)C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000822895858 606084400 /nfs/dbraw/zinc/08/44/00/606084400.db2.gz ZMIPGUUMVDLPRR-SECBINFHSA-N -1 3 323.382 -0.233 20 0 DBADHM NS(=O)(=O)C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000822895858 606084406 /nfs/dbraw/zinc/08/44/06/606084406.db2.gz ZMIPGUUMVDLPRR-SECBINFHSA-N -1 3 323.382 -0.233 20 0 DBADHM NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822874223 606142857 /nfs/dbraw/zinc/14/28/57/606142857.db2.gz VHMFUPVETKFCNT-UHFFFAOYSA-N -1 3 304.266 -0.853 20 0 DBADHM NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822874223 606142859 /nfs/dbraw/zinc/14/28/59/606142859.db2.gz VHMFUPVETKFCNT-UHFFFAOYSA-N -1 3 304.266 -0.853 20 0 DBADHM O=C(NC[C@]1(O)CCSC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823170634 606153911 /nfs/dbraw/zinc/15/39/11/606153911.db2.gz FVBMYRHCKPGEOF-GFCCVEGCSA-N -1 3 306.351 -0.141 20 0 DBADHM O=C(NC[C@]1(O)CCSC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823170634 606153913 /nfs/dbraw/zinc/15/39/13/606153913.db2.gz FVBMYRHCKPGEOF-GFCCVEGCSA-N -1 3 306.351 -0.141 20 0 DBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000819876341 606197703 /nfs/dbraw/zinc/19/77/03/606197703.db2.gz FUTBADQQOMGXEI-KPXOXKRLSA-N -1 3 318.337 -0.769 20 0 DBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC000819876341 606197700 /nfs/dbraw/zinc/19/77/00/606197700.db2.gz FUTBADQQOMGXEI-KPXOXKRLSA-N -1 3 318.337 -0.769 20 0 DBADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821285441 606235684 /nfs/dbraw/zinc/23/56/84/606235684.db2.gz JXQULDKJRKJBQE-LURJTMIESA-N -1 3 321.297 -0.414 20 0 DBADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821285441 606235686 /nfs/dbraw/zinc/23/56/86/606235686.db2.gz JXQULDKJRKJBQE-LURJTMIESA-N -1 3 321.297 -0.414 20 0 DBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)C2CC2)CC1 ZINC000823466663 606246028 /nfs/dbraw/zinc/24/60/28/606246028.db2.gz NUGMHVQDAZKQBU-UHFFFAOYSA-N -1 3 315.337 -0.111 20 0 DBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)C2CC2)CC1 ZINC000823466663 606246030 /nfs/dbraw/zinc/24/60/30/606246030.db2.gz NUGMHVQDAZKQBU-UHFFFAOYSA-N -1 3 315.337 -0.111 20 0 DBADHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820966119 606249325 /nfs/dbraw/zinc/24/93/25/606249325.db2.gz CBMVSGWGRVCJAI-SECBINFHSA-N -1 3 303.326 -0.444 20 0 DBADHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820966119 606249326 /nfs/dbraw/zinc/24/93/26/606249326.db2.gz CBMVSGWGRVCJAI-SECBINFHSA-N -1 3 303.326 -0.444 20 0 DBADHM Cn1cc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1C(N)=O ZINC000822684617 606252823 /nfs/dbraw/zinc/25/28/23/606252823.db2.gz FBEWQKLRHYVLCK-UHFFFAOYSA-N -1 3 300.282 -0.116 20 0 DBADHM Cn1cc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1C(N)=O ZINC000822684617 606252824 /nfs/dbraw/zinc/25/28/24/606252824.db2.gz FBEWQKLRHYVLCK-UHFFFAOYSA-N -1 3 300.282 -0.116 20 0 DBADHM C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820259747 606256588 /nfs/dbraw/zinc/25/65/88/606256588.db2.gz BUMDVAVNUBOUKA-SECBINFHSA-N -1 3 305.342 -0.355 20 0 DBADHM C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820259747 606256594 /nfs/dbraw/zinc/25/65/94/606256594.db2.gz BUMDVAVNUBOUKA-SECBINFHSA-N -1 3 305.342 -0.355 20 0 DBADHM CNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821631511 606257351 /nfs/dbraw/zinc/25/73/51/606257351.db2.gz KTFXQCLYOZGVDH-SNVBAGLBSA-N -1 3 303.326 -0.065 20 0 DBADHM CNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821631511 606257353 /nfs/dbraw/zinc/25/73/53/606257353.db2.gz KTFXQCLYOZGVDH-SNVBAGLBSA-N -1 3 303.326 -0.065 20 0 DBADHM O=C(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCC(F)(F)F ZINC000823001603 606259598 /nfs/dbraw/zinc/25/95/98/606259598.db2.gz NWOFGLFHKQTVOZ-UHFFFAOYSA-N -1 3 317.231 -0.397 20 0 DBADHM O=C(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCC(F)(F)F ZINC000823001603 606259600 /nfs/dbraw/zinc/25/96/00/606259600.db2.gz NWOFGLFHKQTVOZ-UHFFFAOYSA-N -1 3 317.231 -0.397 20 0 DBADHM CCN1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821277486 606275441 /nfs/dbraw/zinc/27/54/41/606275441.db2.gz USYVZBUNZQMLPC-SNVBAGLBSA-N -1 3 305.342 -0.355 20 0 DBADHM CCN1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821277486 606275442 /nfs/dbraw/zinc/27/54/42/606275442.db2.gz USYVZBUNZQMLPC-SNVBAGLBSA-N -1 3 305.342 -0.355 20 0 DBADHM CN(CC(=O)N1CCCC1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821592446 606275877 /nfs/dbraw/zinc/27/58/77/606275877.db2.gz GUZGGURSMMZGCA-UHFFFAOYSA-N -1 3 317.353 -0.100 20 0 DBADHM CN(CC(=O)N1CCCC1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821592446 606275879 /nfs/dbraw/zinc/27/58/79/606275879.db2.gz GUZGGURSMMZGCA-UHFFFAOYSA-N -1 3 317.353 -0.100 20 0 DBADHM CNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821631201 606278151 /nfs/dbraw/zinc/27/81/51/606278151.db2.gz AZGNNTCLKZUOKK-SNVBAGLBSA-N -1 3 317.353 -0.054 20 0 DBADHM CNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821631201 606278153 /nfs/dbraw/zinc/27/81/53/606278153.db2.gz AZGNNTCLKZUOKK-SNVBAGLBSA-N -1 3 317.353 -0.054 20 0 DBADHM CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821631200 606278181 /nfs/dbraw/zinc/27/81/81/606278181.db2.gz AZGNNTCLKZUOKK-JTQLQIEISA-N -1 3 317.353 -0.054 20 0 DBADHM CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821631200 606278183 /nfs/dbraw/zinc/27/81/83/606278183.db2.gz AZGNNTCLKZUOKK-JTQLQIEISA-N -1 3 317.353 -0.054 20 0 DBADHM 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952009934 /nfs/dbraw/zinc/00/99/34/952009934.db2.gz QIUIKXDUVRJCAM-UHFFFAOYSA-N -1 3 320.411 -0.132 20 0 DBADHM O=C([O-])C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCOCC1 ZINC001594743225 953374708 /nfs/dbraw/zinc/37/47/08/953374708.db2.gz WJIJRKBUCQHZOM-LBPRGKRZSA-N -1 3 311.382 -0.626 20 0 DBADHM C[C@@H]1C[C@@]2(CC[C@H](CNCCS(=O)(=O)CC(=O)[O-])O2)CO1 ZINC001589297100 953657962 /nfs/dbraw/zinc/65/79/62/953657962.db2.gz XQIGFVGNPLNMEF-WZRBSPASSA-N -1 3 321.395 -0.198 20 0 DBADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C2CC2)C1=O ZINC001593697538 954085822 /nfs/dbraw/zinc/08/58/22/954085822.db2.gz RFKFEZNOPUACAT-GFCCVEGCSA-N -1 3 311.382 -0.138 20 0 DBADHM CN(C)CCN1CCN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1=O ZINC001593702221 954130616 /nfs/dbraw/zinc/13/06/16/954130616.db2.gz UPFFKOXALWLWSP-OAHLLOKOSA-N -1 3 311.382 -0.280 20 0 DBADHM CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593709319 954175889 /nfs/dbraw/zinc/17/58/89/954175889.db2.gz NVKJLEWOKNZXKB-MXWKQRLJSA-N -1 3 305.400 -0.148 20 0 DBADHM CN([C@H]1CCN(CC(=O)[O-])C1=O)C(C)(C)CN1CCOCC1 ZINC001593716594 954225895 /nfs/dbraw/zinc/22/58/95/954225895.db2.gz ADSZIBWNFMQPCU-LBPRGKRZSA-N -1 3 313.398 -0.286 20 0 DBADHM CN([C@@H]1CCN(CC(=O)[O-])C1=O)C(C)(C)CN1CCOCC1 ZINC001593716593 954226689 /nfs/dbraw/zinc/22/66/89/954226689.db2.gz ADSZIBWNFMQPCU-GFCCVEGCSA-N -1 3 313.398 -0.286 20 0 DBADHM C[C@@H]1CN(Cc2cc(=O)n3nc(N)[nH]c3n2)CC[C@H]1C(=O)[O-] ZINC001589398810 954390424 /nfs/dbraw/zinc/39/04/24/954390424.db2.gz IVAZYPFHRWQECD-VXNVDRBHSA-N -1 3 306.326 -0.458 20 0 DBADHM O=C([O-])C1=NO[C@H](C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC001594885314 954458412 /nfs/dbraw/zinc/45/84/12/954458412.db2.gz IEDIZYHZNFVWFY-TUAOUCFPSA-N -1 3 311.338 -0.727 20 0 DBADHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC[C@](C)(O)C(=O)[O-])cn1 ZINC001593774993 954595200 /nfs/dbraw/zinc/59/52/00/954595200.db2.gz XNQKMAGESABIGN-HUBLWGQQSA-N -1 3 324.381 -0.593 20 0 DBADHM CN1CCC[C@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001593780785 954656576 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C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)C(=O)[O-] ZINC001589020135 955463499 /nfs/dbraw/zinc/46/34/99/955463499.db2.gz OKCPZZNIYXWLDZ-QWRGUYRKSA-N -1 3 311.382 -0.068 20 0 DBADHM C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001589038271 955566878 /nfs/dbraw/zinc/56/68/78/955566878.db2.gz NBAIZHBPXIIOOI-RYUDHWBXSA-N -1 3 311.382 -0.090 20 0 DBADHM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(CCn3cnnn3)C2)cn1 ZINC001594539945 955627520 /nfs/dbraw/zinc/62/75/20/955627520.db2.gz XZPFZTXHTPXVFN-QWRGUYRKSA-N -1 3 305.342 -0.403 20 0 DBADHM C[C@H](CNC(=O)NC[C@@H](C)C(=O)[O-])CN1CCN(C)CC1 ZINC001589052407 955674734 /nfs/dbraw/zinc/67/47/34/955674734.db2.gz WEWTVEAAXMXOJT-VXGBXAGGSA-N -1 3 300.403 -0.110 20 0 DBADHM CN1CCN(C(=O)C(C)(C)N2CCOCC2)C[C@H](C(=O)[O-])C1 ZINC001598604813 1017331494 /nfs/dbraw/zinc/33/14/94/1017331494.db2.gz WWNPIZKUEYOPPF-GFCCVEGCSA-N -1 3 313.398 -0.428 20 0 DBADHM C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)C1=CCN(C)CC1 ZINC001589086951 955909759 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DBADHM C[C@H](C(=O)N[C@@H](C)CNC(=O)c1cnc[n-]c1=O)n1cccn1 ZINC001430622310 1006935014 /nfs/dbraw/zinc/93/50/14/1006935014.db2.gz OPWUGVZEYAMZNB-VHSXEESVSA-N -1 3 318.337 -0.126 20 0 DBADHM CN(C)C1(C(=O)N2CC(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2)CCC1 ZINC001598176582 1017240568 /nfs/dbraw/zinc/24/05/68/1017240568.db2.gz PVJFJXONHOPSKY-QWRGUYRKSA-N -1 3 309.366 -0.482 20 0 DBADHM CC[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)c1csnn1 ZINC001430632951 1006943887 /nfs/dbraw/zinc/94/38/87/1006943887.db2.gz RKHQYTLKHKTQKS-SSDOTTSWSA-N -1 3 322.350 -0.028 20 0 DBADHM CCn1cnc(C(=O)NC[C@@H](C)NC(=O)c2cnc[n-]c2=O)c1 ZINC001430671805 1006973979 /nfs/dbraw/zinc/97/39/79/1006973979.db2.gz BMRXELMIXCFOIQ-SECBINFHSA-N -1 3 318.337 -0.053 20 0 DBADHM CN(C[C@@H](O)CNCc1nc(=O)n(C)[n-]1)C(=O)C1(C2CC2)CC1 ZINC001441979642 1007037873 /nfs/dbraw/zinc/03/78/73/1007037873.db2.gz JNSPWVXLKYAFIE-NSHDSACASA-N -1 3 323.397 -0.793 20 0 DBADHM CN(C[C@H](O)CNCc1nc(=O)n(C)[n-]1)C(=O)C1(C2CC2)CC1 ZINC001441979639 1007040050 /nfs/dbraw/zinc/04/00/50/1007040050.db2.gz JNSPWVXLKYAFIE-LLVKDONJSA-N -1 3 323.397 -0.793 20 0 DBADHM CO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001430925789 1007070295 /nfs/dbraw/zinc/07/02/95/1007070295.db2.gz OHBOLTAHTDZWSK-NXEZZACHSA-N -1 3 308.338 -0.062 20 0 DBADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)NCc1nc(=O)n(C)[n-]1 ZINC001442025239 1007090657 /nfs/dbraw/zinc/09/06/57/1007090657.db2.gz YVBYRFIMPSFWNQ-SECBINFHSA-N -1 3 318.381 -0.167 20 0 DBADHM C[C@H](CCNC(=O)C[C@@](C)(O)C1CC1)NC(=O)c1cn[n-]n1 ZINC001430980735 1007106836 /nfs/dbraw/zinc/10/68/36/1007106836.db2.gz OYAUQFOYVWLWHO-YMTOWFKASA-N -1 3 309.370 -0.020 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCNC(=O)c1ccn[nH]1 ZINC001431141031 1007210962 /nfs/dbraw/zinc/21/09/62/1007210962.db2.gz ULFXJHRRKIGJRP-UHFFFAOYSA-N -1 3 304.310 -0.284 20 0 DBADHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCNC(=O)c1cn[nH]c1 ZINC001431157199 1007227793 /nfs/dbraw/zinc/22/77/93/1007227793.db2.gz ROMYUECTHXUCSP-UHFFFAOYSA-N -1 3 304.310 -0.284 20 0 DBADHM 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305.298 -0.848 20 0 DBADHM CC(=O)NC1(CCO)CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001442981774 1007745269 /nfs/dbraw/zinc/74/52/69/1007745269.db2.gz IIQZVHXTINJRJN-UHFFFAOYSA-N -1 3 322.365 -0.559 20 0 DBADHM O=C(NCCN(C(=O)c1cn[nH]c1)C1CC1)c1cnc[n-]c1=O ZINC001431891930 1007752016 /nfs/dbraw/zinc/75/20/16/1007752016.db2.gz XBLNXAAMSBWNOX-UHFFFAOYSA-N -1 3 316.321 -0.060 20 0 DBADHM CCOCC(=O)N(CCNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001431890901 1007752567 /nfs/dbraw/zinc/75/25/67/1007752567.db2.gz PTJJDHCJFPRYQP-UHFFFAOYSA-N -1 3 308.338 -0.061 20 0 DBADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3cn[n-]n3)C2)CCC1 ZINC001443028924 1007768797 /nfs/dbraw/zinc/76/87/97/1007768797.db2.gz DFOQDCBQIKKKIO-UHFFFAOYSA-N -1 3 307.354 -0.312 20 0 DBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1C(=O)c1cnc[n-]c1=O ZINC001432005992 1007778840 /nfs/dbraw/zinc/77/88/40/1007778840.db2.gz WGHFARICRJVLNQ-PSASIEDQSA-N -1 3 321.337 -0.963 20 0 DBADHM NC(=O)NC1(C(=O)N2CC(NC(=O)c3ccccc3[O-])C2)CC1 ZINC001432191753 1007842868 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DBADHM Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001600778422 1017729160 /nfs/dbraw/zinc/72/91/60/1017729160.db2.gz IALMEDZJHCOEAB-QWHCGFSZSA-N -1 3 324.381 -0.640 20 0 DBADHM Cn1cc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001600941382 1017750190 /nfs/dbraw/zinc/75/01/90/1017750190.db2.gz YYXHPBPMEYLCBU-RKDXNWHRSA-N -1 3 305.331 -0.217 20 0 DBADHM Cn1cc(CN2CC[C@@H](CS(N)(=O)=O)C2)cc1C(=O)[O-] ZINC001600951626 1017753516 /nfs/dbraw/zinc/75/35/16/1017753516.db2.gz IEOMVKKPSFIBOY-SECBINFHSA-N -1 3 301.368 -0.166 20 0 DBADHM Cn1cc(N2CCC[C@H](N[C@H]3CCO[C@H]3C(=O)[O-])C2=O)cn1 ZINC001600958866 1017754555 /nfs/dbraw/zinc/75/45/55/1017754555.db2.gz OVVYAOOMFFAATA-SDDRHHMPSA-N -1 3 308.338 -0.253 20 0 DBADHM Cn1cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cc1C(=O)[O-] ZINC001600969056 1017761868 /nfs/dbraw/zinc/76/18/68/1017761868.db2.gz RNFOUFGGTZXIET-SECBINFHSA-N -1 3 323.321 -0.001 20 0 DBADHM C[C@H](CN(C)Cc1n[nH]c(=O)[n-]1)NC(=O)CCc1cnn[nH]1 ZINC001498386152 1017769105 /nfs/dbraw/zinc/76/91/05/1017769105.db2.gz OKHASZADYADMDU-MRVPVSSYSA-N -1 3 308.346 -0.802 20 0 DBADHM Cn1cncc1CNC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001600994587 1017774109 /nfs/dbraw/zinc/77/41/09/1017774109.db2.gz ZIBWAJQTBOVJRA-UHFFFAOYSA-N -1 3 301.368 -0.068 20 0 DBADHM Cn1nccc1[C@H](NC[C@H](O)COC[C@@H]1CCCO1)C(=O)[O-] ZINC001601033719 1017792597 /nfs/dbraw/zinc/79/25/97/1017792597.db2.gz PYBZPBVGVKBRKY-GVXVVHGQSA-N -1 3 313.354 -0.308 20 0 DBADHM NC(=O)Cn1cc(CN[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC001601154480 1017815124 /nfs/dbraw/zinc/81/51/24/1017815124.db2.gz JSMZDJVBWBFCTD-GFCCVEGCSA-N -1 3 303.322 -0.451 20 0 DBADHM N[C@H](CCC(=O)[O-])C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC001601173873 1017820547 /nfs/dbraw/zinc/82/05/47/1017820547.db2.gz JSWGZIMGEKWJFC-MXWKQRLJSA-N -1 3 318.395 -0.253 20 0 DBADHM N[C@H](CCC(=O)[O-])C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001601175142 1017820748 /nfs/dbraw/zinc/82/07/48/1017820748.db2.gz XNHWSEMAIKYPLH-LLVKDONJSA-N -1 3 311.313 -0.136 20 0 DBADHM Nc1nn2c([n-]1)nc(C[NH2+]C1(CC(=O)[O-])CCCC1)cc2=O ZINC001601222761 1017828175 /nfs/dbraw/zinc/82/81/75/1017828175.db2.gz MVLWZYSSNSLSPI-UHFFFAOYSA-N -1 3 306.326 -0.123 20 0 DBADHM CN(CCCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccc(=O)n(C)c1 ZINC001498569192 1017830743 /nfs/dbraw/zinc/83/07/43/1017830743.db2.gz GXTXOGYSNGQTLE-UHFFFAOYSA-N -1 3 320.353 -0.539 20 0 DBADHM O=C([O-])c1ccn(CCCC(=O)NCCN2CC[C@@H](O)C2)n1 ZINC001601272784 1017831389 /nfs/dbraw/zinc/83/13/89/1017831389.db2.gz UJSPRZRALAMVLS-LLVKDONJSA-N -1 3 310.354 -0.456 20 0 DBADHM Cc1cnn(C)c1C(=O)N(C)CCCNCc1n[nH]c(=O)[n-]1 ZINC001498597625 1017834170 /nfs/dbraw/zinc/83/41/70/1017834170.db2.gz LUTKFUZQOCKUAX-UHFFFAOYSA-N -1 3 307.358 -0.196 20 0 DBADHM CN(CCCNCc1n[nH]c(=O)[n-]1)C(=O)[C@@]1(F)CCOC1 ZINC001498599811 1017835959 /nfs/dbraw/zinc/83/59/59/1017835959.db2.gz CBKFMCYWBDMUCB-GFCCVEGCSA-N -1 3 301.322 -0.423 20 0 DBADHM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001601327595 1017840404 /nfs/dbraw/zinc/84/04/04/1017840404.db2.gz QJKKNWMKYCPRGU-QWRGUYRKSA-N -1 3 309.322 -0.678 20 0 DBADHM O=C([O-])[C@]1(CNCc2cn(C[C@@H]3CCOC3)nn2)CCOC1 ZINC001601708327 1017867913 /nfs/dbraw/zinc/86/79/13/1017867913.db2.gz HKDHDZVJHOSRJQ-FZMZJTMJSA-N -1 3 310.354 -0.105 20 0 DBADHM Cc1c[nH]c(C(=O)N[C@@H](CNCc2nc(=O)n(C)[n-]2)C2CC2)n1 ZINC001498837451 1017872337 /nfs/dbraw/zinc/87/23/37/1017872337.db2.gz LDCFHWVNCHHTEX-JTQLQIEISA-N -1 3 319.369 -0.562 20 0 DBADHM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1cccnc1 ZINC001601775293 1017876998 /nfs/dbraw/zinc/87/69/98/1017876998.db2.gz AJMPYIYRCZTDGY-CHWSQXEVSA-N -1 3 307.350 -0.287 20 0 DBADHM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001601779731 1017880284 /nfs/dbraw/zinc/88/02/84/1017880284.db2.gz JOQDSIQFSYFJSO-NEPJUHHUSA-N -1 3 309.366 -0.623 20 0 DBADHM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001601781747 1017882652 /nfs/dbraw/zinc/88/26/52/1017882652.db2.gz SWHNNUDSNBZDNR-WDEREUQCSA-N -1 3 309.366 -0.432 20 0 DBADHM O=C([O-])C[C@@H]1CSCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC001601967094 1017899818 /nfs/dbraw/zinc/89/98/18/1017899818.db2.gz SIYCWDPQXIVWRJ-NEPJUHHUSA-N -1 3 313.423 -0.205 20 0 DBADHM O=C([O-])CCN1CCC[C@@H]([N@@H+]2CC[C@H](c3nnn[n-]3)C2)C1=O ZINC001602011441 1017909555 /nfs/dbraw/zinc/90/95/55/1017909555.db2.gz LDDIKUIGCYYJMF-VHSXEESVSA-N -1 3 308.342 -0.545 20 0 DBADHM O=C([O-])CCN1CCC[C@@H]([N@H+]2CC[C@H](c3nnn[n-]3)C2)C1=O ZINC001602011441 1017909569 /nfs/dbraw/zinc/90/95/69/1017909569.db2.gz LDDIKUIGCYYJMF-VHSXEESVSA-N -1 3 308.342 -0.545 20 0 DBADHM O=C([O-])Cn1cc(CCN2CCC([C@H]3COC(=O)N3)CC2)nn1 ZINC001602159645 1017963306 /nfs/dbraw/zinc/96/33/06/1017963306.db2.gz RVYCBIXDVJKXDO-GFCCVEGCSA-N -1 3 323.353 -0.274 20 0 DBADHM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)s1 ZINC001602398303 1017993729 /nfs/dbraw/zinc/99/37/29/1017993729.db2.gz HWGDVHARPYHHLO-ZETCQYMHSA-N -1 3 306.365 -0.287 20 0 DBADHM O=C([O-])c1ccn(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC001602477398 1018003915 /nfs/dbraw/zinc/00/39/15/1018003915.db2.gz RTHCTXLCCMBIIY-QWHCGFSZSA-N -1 3 322.365 -0.361 20 0 DBADHM CC[C@H](CNC(=O)CCc1cnn(C)c1)NC(=O)c1cn[n-]n1 ZINC001499142528 1018004522 /nfs/dbraw/zinc/00/45/22/1018004522.db2.gz CNNUDXOIVSJQRA-LLVKDONJSA-N -1 3 319.369 -0.204 20 0 DBADHM O=C([O-])c1cc(CNC[C@H]2CCC[C@]23NC(=O)NC3=O)on1 ZINC001602654716 1018034120 /nfs/dbraw/zinc/03/41/20/1018034120.db2.gz CKXKVEPRKKSGSZ-UHLUBPPHSA-N -1 3 308.294 -0.159 20 0 DBADHM O=C([O-])[C@]1(N2CCN(CC[C@H]3CCNC3=O)CC2)CCOC1 ZINC001602657582 1018038975 /nfs/dbraw/zinc/03/89/75/1018038975.db2.gz BCPXFOJCSQSAHO-DOMZBBRYSA-N -1 3 311.382 -0.626 20 0 DBADHM CO[C@H](C(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CC1)C1CCC1 ZINC001499304721 1018062756 /nfs/dbraw/zinc/06/27/56/1018062756.db2.gz JPASCRWMAXOXBE-LBPRGKRZSA-N -1 3 323.397 -0.338 20 0 DBADHM C=CC(=O)N(C)CC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001602777029 1018063351 /nfs/dbraw/zinc/06/33/51/1018063351.db2.gz NOGIBTRNYZNTGL-UHFFFAOYSA-N -1 3 301.310 -0.478 20 0 DBADHM C=CC(=O)N(C)CC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001602777029 1018063365 /nfs/dbraw/zinc/06/33/65/1018063365.db2.gz NOGIBTRNYZNTGL-UHFFFAOYSA-N -1 3 301.310 -0.478 20 0 DBADHM CC(=O)N1C[C@H]2CN(c3cc(-c4nnn[n-]4)cnn3)C[C@H]2C1 ZINC001602934154 1018079009 /nfs/dbraw/zinc/07/90/09/1018079009.db2.gz VBILIICGZYYCHY-PHIMTYICSA-N -1 3 300.326 -0.429 20 0 DBADHM CC(=O)N1C[C@H]2CN(c3cc(-c4nn[n-]n4)cnn3)C[C@H]2C1 ZINC001602934154 1018079024 /nfs/dbraw/zinc/07/90/24/1018079024.db2.gz VBILIICGZYYCHY-PHIMTYICSA-N -1 3 300.326 -0.429 20 0 DBADHM CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001602932704 1018080023 /nfs/dbraw/zinc/08/00/23/1018080023.db2.gz JKNCRJJVDIFJSI-JOYOIKCWSA-N -1 3 315.337 -0.112 20 0 DBADHM CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001602932704 1018080040 /nfs/dbraw/zinc/08/00/40/1018080040.db2.gz JKNCRJJVDIFJSI-JOYOIKCWSA-N -1 3 315.337 -0.112 20 0 DBADHM CC(=O)NCCN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602947585 1018083860 /nfs/dbraw/zinc/08/38/60/1018083860.db2.gz OIGADRFMAHHWCK-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM CC(=O)NCCN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602947585 1018083866 /nfs/dbraw/zinc/08/38/66/1018083866.db2.gz OIGADRFMAHHWCK-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM CC(=O)NCCN(C)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602947566 1018083888 /nfs/dbraw/zinc/08/38/88/1018083888.db2.gz NTHHEFRZKRABFC-UHFFFAOYSA-N -1 3 303.326 -0.222 20 0 DBADHM CC(=O)NCCN(C)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602947566 1018083901 /nfs/dbraw/zinc/08/39/01/1018083901.db2.gz NTHHEFRZKRABFC-UHFFFAOYSA-N -1 3 303.326 -0.222 20 0 DBADHM CC(=O)OC[C@@H](CO)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602957800 1018084682 /nfs/dbraw/zinc/08/46/82/1018084682.db2.gz IBWBRSZZVJYWPZ-GFCCVEGCSA-N -1 3 319.321 -0.551 20 0 DBADHM CC(=O)OC[C@@H](CO)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602957800 1018084695 /nfs/dbraw/zinc/08/46/95/1018084695.db2.gz IBWBRSZZVJYWPZ-GFCCVEGCSA-N -1 3 319.321 -0.551 20 0 DBADHM CCc1cc(C(=O)NCC2(NCc3nc(=O)n(C)[n-]3)CC2)no1 ZINC001499419112 1018096568 /nfs/dbraw/zinc/09/65/68/1018096568.db2.gz OOYJJCDSMNQLKG-UHFFFAOYSA-N -1 3 320.353 -0.289 20 0 DBADHM CC(=O)N[C@H]1CCCN(C(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001603040563 1018110302 /nfs/dbraw/zinc/11/03/02/1018110302.db2.gz WCFFCMLZQTYDIQ-RWMBFGLXSA-N -1 3 311.382 -0.092 20 0 DBADHM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCC1 ZINC001499505128 1018112769 /nfs/dbraw/zinc/11/27/69/1018112769.db2.gz GGIUXMCWQYSWFL-SECBINFHSA-N -1 3 322.369 -0.512 20 0 DBADHM CC(=O)NCCCNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001603045039 1018114301 /nfs/dbraw/zinc/11/43/01/1018114301.db2.gz OIBYOGUPBWHGPJ-NSHDSACASA-N -1 3 300.359 -0.830 20 0 DBADHM CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC001603068772 1018114395 /nfs/dbraw/zinc/11/43/95/1018114395.db2.gz RRAQLXQAHZGKLK-VXGBXAGGSA-N -1 3 311.382 -0.139 20 0 DBADHM CC(C)(CO)Cc1cn(CCn2cc(-c3nnn[n-]3)cn2)nn1 ZINC001603153125 1018131873 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UZFDMKWALMTALL-VIFPVBQESA-N -1 3 304.285 -0.099 20 0 DBADHM O=C(C[C@H]1CC(=O)N1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001606495459 1018847802 /nfs/dbraw/zinc/84/78/02/1018847802.db2.gz UZFDMKWALMTALL-VIFPVBQESA-N -1 3 304.285 -0.099 20 0 DBADHM COC(=O)NCCNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001606494735 1018848589 /nfs/dbraw/zinc/84/85/89/1018848589.db2.gz KBXVEMAFTLWOBG-SECBINFHSA-N -1 3 302.331 -1.000 20 0 DBADHM O=C(CCn1cnnn1)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001606542114 1018852274 /nfs/dbraw/zinc/85/22/74/1018852274.db2.gz FXZSWTVLVPUMDA-UHFFFAOYSA-N -1 3 311.309 -0.214 20 0 DBADHM O=C(CCn1cnnn1)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001606542114 1018852276 /nfs/dbraw/zinc/85/22/76/1018852276.db2.gz FXZSWTVLVPUMDA-UHFFFAOYSA-N -1 3 311.309 -0.214 20 0 DBADHM O=C(CCO)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606523695 1018852970 /nfs/dbraw/zinc/85/29/70/1018852970.db2.gz DTYFVFLMIPZCNC-JTQLQIEISA-N -1 3 304.310 -0.376 20 0 DBADHM O=C(CCO)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606523695 1018852971 /nfs/dbraw/zinc/85/29/71/1018852971.db2.gz DTYFVFLMIPZCNC-JTQLQIEISA-N -1 3 304.310 -0.376 20 0 DBADHM O=C(CN1CCOC[C@H]1CO)Nc1cccc(-c2nnn[n-]2)c1 ZINC001606549559 1018853926 /nfs/dbraw/zinc/85/39/26/1018853926.db2.gz XQDYGKGAGNXMIU-GFCCVEGCSA-N -1 3 318.337 -0.502 20 0 DBADHM O=C(CN1CCOC[C@H]1CO)Nc1cccc(-c2nn[n-]n2)c1 ZINC001606549559 1018853929 /nfs/dbraw/zinc/85/39/29/1018853929.db2.gz XQDYGKGAGNXMIU-GFCCVEGCSA-N -1 3 318.337 -0.502 20 0 DBADHM O=C(CN1CCOCC1=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001606549240 1018854538 /nfs/dbraw/zinc/85/45/38/1018854538.db2.gz KDENIXOKUVQMDF-UHFFFAOYSA-N -1 3 303.278 -0.369 20 0 DBADHM O=C(CN1CCOCC1=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001606549240 1018854541 /nfs/dbraw/zinc/85/45/41/1018854541.db2.gz KDENIXOKUVQMDF-UHFFFAOYSA-N -1 3 303.278 -0.369 20 0 DBADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2C[C@@]2(O)C1 ZINC001606568247 1018855378 /nfs/dbraw/zinc/85/53/78/1018855378.db2.gz ZJLSKXRKIWNAAI-QMTHXVAHSA-N -1 3 301.306 -0.161 20 0 DBADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@]1(CO)CCOC1 ZINC001606576715 1018856795 /nfs/dbraw/zinc/85/67/95/1018856795.db2.gz AQHVAFRNEJPEPB-CQSZACIVSA-N -1 3 319.321 -0.487 20 0 DBADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@]1(CO)CCOC1 ZINC001606576715 1018856799 /nfs/dbraw/zinc/85/67/99/1018856799.db2.gz AQHVAFRNEJPEPB-CQSZACIVSA-N -1 3 319.321 -0.487 20 0 DBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001606575783 1018857474 /nfs/dbraw/zinc/85/74/74/1018857474.db2.gz OYEIEHVVPKPFFD-YHPBZONMSA-N -1 3 319.321 -0.754 20 0 DBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001606575783 1018857477 /nfs/dbraw/zinc/85/74/77/1018857477.db2.gz OYEIEHVVPKPFFD-YHPBZONMSA-N -1 3 319.321 -0.754 20 0 DBADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@]1(CO)CCOC1 ZINC001606576714 1018857924 /nfs/dbraw/zinc/85/79/24/1018857924.db2.gz AQHVAFRNEJPEPB-AWEZNQCLSA-N -1 3 319.321 -0.487 20 0 DBADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@]1(CO)CCOC1 ZINC001606576714 1018857929 /nfs/dbraw/zinc/85/79/29/1018857929.db2.gz AQHVAFRNEJPEPB-AWEZNQCLSA-N -1 3 319.321 -0.487 20 0 DBADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1COCCO1 ZINC001606575777 1018857961 /nfs/dbraw/zinc/85/79/61/1018857961.db2.gz OEYDHCINPRBMKZ-GFCCVEGCSA-N -1 3 319.321 -0.223 20 0 DBADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1COCCO1 ZINC001606575777 1018857962 /nfs/dbraw/zinc/85/79/62/1018857962.db2.gz OEYDHCINPRBMKZ-GFCCVEGCSA-N -1 3 319.321 -0.223 20 0 DBADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1COCCC1=O ZINC001606591797 1018857985 /nfs/dbraw/zinc/85/79/85/1018857985.db2.gz FJROQRDKFGFKEA-NSHDSACASA-N -1 3 301.306 -0.117 20 0 DBADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1COCCC1=O ZINC001606591797 1018857988 /nfs/dbraw/zinc/85/79/88/1018857988.db2.gz FJROQRDKFGFKEA-NSHDSACASA-N -1 3 301.306 -0.117 20 0 DBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nnn[n-]2)ccn1 ZINC001606684762 1018867774 /nfs/dbraw/zinc/86/77/74/1018867774.db2.gz YKFCTVRNKOVYJL-MRVPVSSYSA-N -1 3 308.323 -0.821 20 0 DBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001606684762 1018867776 /nfs/dbraw/zinc/86/77/76/1018867776.db2.gz YKFCTVRNKOVYJL-MRVPVSSYSA-N -1 3 308.323 -0.821 20 0 DBADHM O=C(CNC(=O)c1cc(-c2nnn[n-]2)cs1)N1CCCO1 ZINC001606696777 1018868672 /nfs/dbraw/zinc/86/86/72/1018868672.db2.gz WBURPSWBLPCXPD-UHFFFAOYSA-N -1 3 308.323 -0.178 20 0 DBADHM O=C(CNC(=O)c1cc(-c2nn[n-]n2)cs1)N1CCCO1 ZINC001606696777 1018868673 /nfs/dbraw/zinc/86/86/73/1018868673.db2.gz WBURPSWBLPCXPD-UHFFFAOYSA-N -1 3 308.323 -0.178 20 0 DBADHM O=C(NC[C@@]1(CO)COCCN1)c1cscc1-c1nnn[n-]1 ZINC001606705203 1018869421 /nfs/dbraw/zinc/86/94/21/1018869421.db2.gz JHIDDGVIHWMTKG-GFCCVEGCSA-N -1 3 324.366 -0.991 20 0 DBADHM O=C(NC[C@@]1(CO)COCCN1)c1cscc1-c1nn[n-]n1 ZINC001606705203 1018869424 /nfs/dbraw/zinc/86/94/24/1018869424.db2.gz JHIDDGVIHWMTKG-GFCCVEGCSA-N -1 3 324.366 -0.991 20 0 DBADHM O=C(NC[C@H]1CN2CCN1CCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606749478 1018872774 /nfs/dbraw/zinc/87/27/74/1018872774.db2.gz MLHLCPSOXJYBSR-JTQLQIEISA-N -1 3 317.353 -0.421 20 0 DBADHM O=C(NC[C@H]1CN2CCN1CCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606749478 1018872775 /nfs/dbraw/zinc/87/27/75/1018872775.db2.gz MLHLCPSOXJYBSR-JTQLQIEISA-N -1 3 317.353 -0.421 20 0 DBADHM O=C(NCCCOCCO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001606776563 1018875408 /nfs/dbraw/zinc/87/54/08/1018875408.db2.gz SXVWSWSOTDUAEX-UHFFFAOYSA-N -1 3 307.314 -0.218 20 0 DBADHM O=C(NCCCOCCO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001606776563 1018875410 /nfs/dbraw/zinc/87/54/10/1018875410.db2.gz SXVWSWSOTDUAEX-UHFFFAOYSA-N -1 3 307.314 -0.218 20 0 DBADHM O=C(NCCn1cnnn1)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001606803934 1018879217 /nfs/dbraw/zinc/87/92/17/1018879217.db2.gz GIXOPPYOYHNSQG-UHFFFAOYSA-N -1 3 324.308 -0.236 20 0 DBADHM O=C(NCCn1cnnn1)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001606803934 1018879226 /nfs/dbraw/zinc/87/92/26/1018879226.db2.gz GIXOPPYOYHNSQG-UHFFFAOYSA-N -1 3 324.308 -0.236 20 0 DBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC001606823196 1018882965 /nfs/dbraw/zinc/88/29/65/1018882965.db2.gz PGPDYMFJMTYQAI-UHFFFAOYSA-N -1 3 316.321 -0.658 20 0 DBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC001606823196 1018882966 /nfs/dbraw/zinc/88/29/66/1018882966.db2.gz PGPDYMFJMTYQAI-UHFFFAOYSA-N -1 3 316.321 -0.658 20 0 DBADHM O=C(NCc1ccc(-c2nnn[n-]2)cn1)N1CC[C@H](O)[C@@H](F)C1 ZINC001606826452 1018884576 /nfs/dbraw/zinc/88/45/76/1018884576.db2.gz WFTBRSZTFFAFPT-QWRGUYRKSA-N -1 3 321.316 -0.124 20 0 DBADHM O=C(NCc1ccc(-c2nn[n-]n2)cn1)N1CC[C@H](O)[C@@H](F)C1 ZINC001606826452 1018884581 /nfs/dbraw/zinc/88/45/81/1018884581.db2.gz WFTBRSZTFFAFPT-QWRGUYRKSA-N -1 3 321.316 -0.124 20 0 DBADHM COC[C@]1(C(=O)[O-])CCCN1C(=O)CNC[C@H]1CCCO1 ZINC001606829194 1018884859 /nfs/dbraw/zinc/88/48/59/1018884859.db2.gz JRUZAWWJFWHXBU-RISCZKNCSA-N -1 3 300.355 -0.153 20 0 DBADHM O=C(N[C@@H]1CNOC1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001606875645 1018890712 /nfs/dbraw/zinc/89/07/12/1018890712.db2.gz ABRLDFHLQRTFEB-SECBINFHSA-N -1 3 301.310 -0.205 20 0 DBADHM O=C(N[C@@H]1CNOC1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001606875645 1018890714 /nfs/dbraw/zinc/89/07/14/1018890714.db2.gz ABRLDFHLQRTFEB-SECBINFHSA-N -1 3 301.310 -0.205 20 0 DBADHM O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001606879507 1018890819 /nfs/dbraw/zinc/89/08/19/1018890819.db2.gz OKIWMXZRNLVKBF-VIFPVBQESA-N -1 3 315.337 -0.065 20 0 DBADHM O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001606879507 1018890825 /nfs/dbraw/zinc/89/08/25/1018890825.db2.gz OKIWMXZRNLVKBF-VIFPVBQESA-N -1 3 315.337 -0.065 20 0 DBADHM COCCN1CC[C@@H](NC(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001606894637 1018891755 /nfs/dbraw/zinc/89/17/55/1018891755.db2.gz BHUAOLHOYMFAJV-SECBINFHSA-N -1 3 311.342 -0.040 20 0 DBADHM O=C(N[C@H]1C[C@@H](CO)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606883293 1018891963 /nfs/dbraw/zinc/89/19/63/1018891963.db2.gz WSWCPJGYUGQFAH-JFUSQASVSA-N -1 3 303.322 -0.213 20 0 DBADHM O=C(N[C@H]1C[C@@H](CO)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606883293 1018891964 /nfs/dbraw/zinc/89/19/64/1018891964.db2.gz WSWCPJGYUGQFAH-JFUSQASVSA-N -1 3 303.322 -0.213 20 0 DBADHM COCCN(C)CCNC(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001606880919 1018892145 /nfs/dbraw/zinc/89/21/45/1018892145.db2.gz PJHQXKAVAYJSKO-GHMZBOCLSA-N -1 3 303.359 -0.552 20 0 DBADHM Cn1ccc(C(=O)NCC=CCNC(=O)c2cn[n-]n2)cc1=O ZINC001501920496 1018893988 /nfs/dbraw/zinc/89/39/88/1018893988.db2.gz VNMGQTMHGFWXGL-IHWYPQMZSA-N -1 3 316.321 -0.781 20 0 DBADHM Cn1cc(C(=O)NCC=CCNC(=O)c2cn[n-]n2)ccc1=O ZINC001501919501 1018894400 /nfs/dbraw/zinc/89/44/00/1018894400.db2.gz BICJQSYGMMIKNU-NSCUHMNNSA-N -1 3 316.321 -0.781 20 0 DBADHM Cn1[n-]c(CNC2(CNC(=O)C3=CCOCC3)CCC2)nc1=O ZINC001501942855 1018898049 /nfs/dbraw/zinc/89/80/49/1018898049.db2.gz VJBVOBFYWMVTQV-UHFFFAOYSA-N -1 3 321.381 -0.416 20 0 DBADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccnc2ccnn21 ZINC001606945335 1018899274 /nfs/dbraw/zinc/89/92/74/1018899274.db2.gz UNKREIVGCYQGNT-UHFFFAOYSA-N -1 3 307.277 -0.021 20 0 DBADHM 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20 0 DBADHM COC(=O)[C@](C)(CO)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001570922864 948649802 /nfs/dbraw/zinc/64/98/02/948649802.db2.gz PNBXSWUTGFRUAQ-ZDUSSCGKSA-N -1 3 320.309 -0.776 20 0 DBADHM COC[C@](C)(O)CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001570923100 948655055 /nfs/dbraw/zinc/65/50/55/948655055.db2.gz ULURYFOVCHEMIE-CYBMUJFWSA-N -1 3 321.341 -0.813 20 0 DBADHM COC[C@](C)(O)CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001570923100 948655058 /nfs/dbraw/zinc/65/50/58/948655058.db2.gz ULURYFOVCHEMIE-CYBMUJFWSA-N -1 3 321.341 -0.813 20 0 DBADHM Cn1c(C(=O)N[C@@H](CO)[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001570923240 948658333 /nfs/dbraw/zinc/65/83/33/948658333.db2.gz VXSJNFSNYRPIJI-UWVGGRQHSA-N -1 3 320.353 -0.278 20 0 DBADHM Cn1c(C(=O)N[C@@H](CO)[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001570923240 948658338 /nfs/dbraw/zinc/65/83/38/948658338.db2.gz VXSJNFSNYRPIJI-UWVGGRQHSA-N -1 3 320.353 -0.278 20 0 DBADHM CC1=NO[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575864330 949359984 /nfs/dbraw/zinc/35/99/84/949359984.db2.gz HTZHRHRICYZSTI-SECBINFHSA-N -1 3 323.338 -0.295 20 0 DBADHM CC1=NO[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575864330 949360006 /nfs/dbraw/zinc/36/00/06/949360006.db2.gz HTZHRHRICYZSTI-SECBINFHSA-N -1 3 323.338 -0.295 20 0 DBADHM C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001575866277 949403335 /nfs/dbraw/zinc/40/33/35/949403335.db2.gz QYXQDHPYBHQEPO-SSDOTTSWSA-N -1 3 321.366 -0.042 20 0 DBADHM CC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575572873 949985136 /nfs/dbraw/zinc/98/51/36/949985136.db2.gz ISZIQHVKWGEEPP-JTQLQIEISA-N -1 3 317.353 -0.049 20 0 DBADHM CC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575572873 949985153 /nfs/dbraw/zinc/98/51/53/949985153.db2.gz ISZIQHVKWGEEPP-JTQLQIEISA-N -1 3 317.353 -0.049 20 0 DBADHM CC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575572874 949985294 /nfs/dbraw/zinc/98/52/94/949985294.db2.gz ISZIQHVKWGEEPP-SNVBAGLBSA-N -1 3 317.353 -0.049 20 0 DBADHM CC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575572874 949985309 /nfs/dbraw/zinc/98/53/09/949985309.db2.gz ISZIQHVKWGEEPP-SNVBAGLBSA-N -1 3 317.353 -0.049 20 0 DBADHM C[C@@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001576183282 950080747 /nfs/dbraw/zinc/08/07/47/950080747.db2.gz OXMBBVOJBIQUDL-MWLCHTKSSA-N -1 3 317.353 -0.097 20 0 DBADHM C[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001576183282 950080767 /nfs/dbraw/zinc/08/07/67/950080767.db2.gz OXMBBVOJBIQUDL-MWLCHTKSSA-N -1 3 317.353 -0.097 20 0 DBADHM CCN1CC[C@H]2OCCN(CN3C[C@@H](C(=O)[O-])CC3=O)[C@H]2C1 ZINC001589882248 950691206 /nfs/dbraw/zinc/69/12/06/950691206.db2.gz KEPIGBKEICNMIE-RWMBFGLXSA-N -1 3 311.382 -0.328 20 0 DBADHM C[C@H](NC(=O)c1ccco1)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000317772495 950914410 /nfs/dbraw/zinc/91/44/10/950914410.db2.gz BQLOBVMITKMADI-JTQLQIEISA-N -1 3 311.338 -0.127 20 0 DBADHM C[C@@H]1CC(=O)NN1C[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001575936913 950931186 /nfs/dbraw/zinc/93/11/86/950931186.db2.gz ARKURGAGMZJERF-NXEZZACHSA-N -1 3 318.337 -0.268 20 0 DBADHM C[C@@H]1CC(=O)NN1C[C@@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001575936913 950931194 /nfs/dbraw/zinc/93/11/94/950931194.db2.gz ARKURGAGMZJERF-NXEZZACHSA-N -1 3 318.337 -0.268 20 0 DBADHM CCOC(=O)N1CC[C@H](NCCS(=O)(=O)CC(=O)[O-])C1 ZINC001590873729 951008471 /nfs/dbraw/zinc/00/84/71/951008471.db2.gz PMXHJMNNDAIBRV-VIFPVBQESA-N -1 3 308.356 -0.694 20 0 DBADHM O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)CO1 ZINC001595000445 951114514 /nfs/dbraw/zinc/11/45/14/951114514.db2.gz LMDDTBPWMFTQKE-GMXVVIOVSA-N -1 3 312.366 -0.154 20 0 DBADHM C[C@@H](CNC(=O)c1cnon1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575053355 951478623 /nfs/dbraw/zinc/47/86/23/951478623.db2.gz BKQRSOXCQKKMRR-ZETCQYMHSA-N -1 3 315.297 -0.125 20 0 DBADHM C[C@@H](CNC(=O)c1cnon1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575053355 951478628 /nfs/dbraw/zinc/47/86/28/951478628.db2.gz BKQRSOXCQKKMRR-ZETCQYMHSA-N -1 3 315.297 -0.125 20 0 DBADHM O=C([O-])CN1CCC(NS(=O)(=O)C[C@H]2CCCO2)CC1 ZINC001595081175 951680144 /nfs/dbraw/zinc/68/01/44/951680144.db2.gz OEIZNNGVRTYLHK-LLVKDONJSA-N -1 3 306.384 -0.366 20 0 DBADHM O=C([O-])COCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001595113632 951928112 /nfs/dbraw/zinc/92/81/12/951928112.db2.gz JFVMTZAPZKFNMO-GFCCVEGCSA-N -1 3 315.370 -0.360 20 0 DBADHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)CC(=O)NCC1CC1 ZINC001485312522 1013113953 /nfs/dbraw/zinc/11/39/53/1013113953.db2.gz HJHYVJNJPKUVDX-SNVBAGLBSA-N -1 3 321.381 -0.242 20 0 DBADHM O=C([O-])C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCOCC1 ZINC001594743223 953374499 /nfs/dbraw/zinc/37/44/99/953374499.db2.gz WJIJRKBUCQHZOM-GFCCVEGCSA-N -1 3 311.382 -0.626 20 0 DBADHM CC[C@@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)N1 ZINC001593609061 953444210 /nfs/dbraw/zinc/44/42/10/953444210.db2.gz CNDODRIJVQRMNJ-TUAOUCFPSA-N -1 3 311.382 -0.092 20 0 DBADHM CC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@H](C)N1 ZINC001593609060 953444343 /nfs/dbraw/zinc/44/43/43/953444343.db2.gz CNDODRIJVQRMNJ-QJPTWQEYSA-N -1 3 311.382 -0.092 20 0 DBADHM CCn1nccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001593674737 953907248 /nfs/dbraw/zinc/90/72/48/953907248.db2.gz ZQCWJNCMOQXWFB-UHFFFAOYSA-N -1 3 316.383 -0.270 20 0 DBADHM O=C([O-])[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CCC1 ZINC001594840898 954078533 /nfs/dbraw/zinc/07/85/33/954078533.db2.gz NUVAUOBEVLKTCN-XQQFMLRXSA-N -1 3 311.382 -0.052 20 0 DBADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cncc(-n2ccnn2)c1 ZINC001593698490 954088634 /nfs/dbraw/zinc/08/86/34/954088634.db2.gz BBZYDHAWSZSLNY-UHFFFAOYSA-N -1 3 318.337 -0.249 20 0 DBADHM CN(C)CCN1CCN(C(=O)CSCC(=O)[O-])CC1=O ZINC001593701918 954123913 /nfs/dbraw/zinc/12/39/13/954123913.db2.gz MHCXBWZSTQAVCW-UHFFFAOYSA-N -1 3 303.384 -0.963 20 0 DBADHM CN(C)CCn1nccc1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593702410 954135328 /nfs/dbraw/zinc/13/53/28/954135328.db2.gz RDDJINBAQPSKGO-NHYWBVRUSA-N -1 3 322.365 -0.382 20 0 DBADHM O=C([O-])[C@@H]1CC(=O)N(CN2CC[C@H]3[C@@H]2CCCN3CCO)C1 ZINC001594897719 954583309 /nfs/dbraw/zinc/58/33/09/954583309.db2.gz BSZPSFREJQXQAF-AGIUHOORSA-N -1 3 311.382 -0.592 20 0 DBADHM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CCn3cnnn3)CC2)C1 ZINC001594898368 954593220 /nfs/dbraw/zinc/59/32/20/954593220.db2.gz KQNCMMUMZKVVFC-SNVBAGLBSA-N -1 3 308.342 -0.929 20 0 DBADHM CN1CC[C@@]2(CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C2)C1 ZINC001593779229 954624272 /nfs/dbraw/zinc/62/42/72/954624272.db2.gz JZJMGISQEOVBIE-WCQYABFASA-N -1 3 317.411 -0.192 20 0 DBADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CC1 ZINC001593780503 954648249 /nfs/dbraw/zinc/64/82/49/954648249.db2.gz GECJULGHAOBNOY-AGIUHOORSA-N -1 3 323.393 -0.138 20 0 DBADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001593780505 954648677 /nfs/dbraw/zinc/64/86/77/954648677.db2.gz GECJULGHAOBNOY-XQQFMLRXSA-N -1 3 323.393 -0.138 20 0 DBADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001593781769 954678281 /nfs/dbraw/zinc/67/82/81/954678281.db2.gz XGHCWDZVKSDHRK-STQMWFEESA-N -1 3 323.393 -0.138 20 0 DBADHM CN1CCN(CCNC(=O)c2cnc(C(=O)[O-])cn2)CC1(C)C ZINC001593784595 954687359 /nfs/dbraw/zinc/68/73/59/954687359.db2.gz MEOLTOVBHNOQIF-UHFFFAOYSA-N -1 3 321.381 -0.069 20 0 DBADHM CN1CCN(CCCCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001593784970 954689971 /nfs/dbraw/zinc/68/99/71/954689971.db2.gz HEJQMLZBNBXSQL-UHFFFAOYSA-N -1 3 309.370 -0.135 20 0 DBADHM CN1CCN(CCNCCS(=O)(=O)CC(=O)[O-])CC1(C)C ZINC001593785057 954693267 /nfs/dbraw/zinc/69/32/67/954693267.db2.gz XPVNMLJUUWDYOH-UHFFFAOYSA-N -1 3 321.443 -0.899 20 0 DBADHM CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C(=O)[O-])CC3)[C@@H]2C1 ZINC001593786437 954702681 /nfs/dbraw/zinc/70/26/81/954702681.db2.gz DHWCASIKTDNEJO-QWHCGFSZSA-N -1 3 323.393 -0.138 20 0 DBADHM COC(=O)[C@@H]1[C@@H](CN(CCNC(C)=O)[C@H](C)C(=O)[O-])C1(F)F ZINC001593815692 954999430 /nfs/dbraw/zinc/99/94/30/954999430.db2.gz IOHBUKBKOFNDKN-QNSHHTMESA-N -1 3 322.308 -0.048 20 0 DBADHM COC(=O)N1CCC(C(=O)N(CCN(C)C)CC(=O)[O-])CC1 ZINC001593856070 955503411 /nfs/dbraw/zinc/50/34/11/955503411.db2.gz WCMMDTUSUDHSTQ-UHFFFAOYSA-N -1 3 315.370 -0.060 20 0 DBADHM COC(=O)c1ccc(CC(=O)N(CCN(C)C)CC(=O)[O-])cn1 ZINC001593876195 955672785 /nfs/dbraw/zinc/67/27/85/955672785.db2.gz DQADBLYOVSCDRS-UHFFFAOYSA-N -1 3 323.349 -0.115 20 0 DBADHM C[C@H](CNCCS(=O)(=O)CC(=O)[O-])N1CCCCC1=O ZINC001589066767 955753861 /nfs/dbraw/zinc/75/38/61/955753861.db2.gz PTXZRYDFIIIVCD-SNVBAGLBSA-N -1 3 306.384 -0.524 20 0 DBADHM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001594565665 955843396 /nfs/dbraw/zinc/84/33/96/955843396.db2.gz KHZIMPUDQQCNDC-VHSXEESVSA-N -1 3 308.338 -0.289 20 0 DBADHM Cn1nccc1[C@H](NC[C@@H]1CCCS(=O)(=O)C1)C(=O)[O-] ZINC001594594691 956075550 /nfs/dbraw/zinc/07/55/50/956075550.db2.gz HAUBJEJPLWAHDO-ONGXEEELSA-N -1 3 301.368 -0.040 20 0 DBADHM CO[C@@](C)(C(=O)[O-])C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001593928182 956151124 /nfs/dbraw/zinc/15/11/24/956151124.db2.gz 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NC(=O)C1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000822860575 607294355 /nfs/dbraw/zinc/29/43/55/607294355.db2.gz YONSQSMCNRMWSP-UHFFFAOYSA-N -1 3 316.321 -0.369 20 0 DBADHM NC(=O)C1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000822860575 607294356 /nfs/dbraw/zinc/29/43/56/607294356.db2.gz YONSQSMCNRMWSP-UHFFFAOYSA-N -1 3 316.321 -0.369 20 0 DBADHM CC(=O)NCCN(CC[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)[O-] ZINC000819770369 597680416 /nfs/dbraw/zinc/68/04/16/597680416.db2.gz QBZAREWAIVIIDS-JQWIXIFHSA-N -1 3 320.411 -0.278 20 0 DBADHM CCN(CCO)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821214646 607333892 /nfs/dbraw/zinc/33/38/92/607333892.db2.gz JVXNRPACLIYEMT-UHFFFAOYSA-N -1 3 322.300 -0.215 20 0 DBADHM CCN(CCO)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821214646 607333893 /nfs/dbraw/zinc/33/38/93/607333893.db2.gz JVXNRPACLIYEMT-UHFFFAOYSA-N -1 3 322.300 -0.215 20 0 DBADHM CC(=O)N[C@H](C)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000735473243 598291449 /nfs/dbraw/zinc/29/14/49/598291449.db2.gz 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/nfs/dbraw/zinc/33/89/52/598338952.db2.gz JRMQYVVEUWDOSM-NSHDSACASA-N -1 3 316.369 -0.042 20 0 DBADHM c1cnc(N2CCN(C[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)n1 ZINC000738445497 598338953 /nfs/dbraw/zinc/33/89/53/598338953.db2.gz JRMQYVVEUWDOSM-NSHDSACASA-N -1 3 316.369 -0.042 20 0 DBADHM O=C(CN1CCCNC(=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000738301849 598370042 /nfs/dbraw/zinc/37/00/42/598370042.db2.gz DALUWIGILCXXLN-UHFFFAOYSA-N -1 3 321.366 -0.311 20 0 DBADHM O=C(CN1CCCNC(=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000738301849 598370044 /nfs/dbraw/zinc/37/00/44/598370044.db2.gz DALUWIGILCXXLN-UHFFFAOYSA-N -1 3 321.366 -0.311 20 0 DBADHM c1nc(N2CCN(C[C@H]3CCCO3)CC2)cnc1-c1nnn[n-]1 ZINC000738451441 598384462 /nfs/dbraw/zinc/38/44/62/598384462.db2.gz GTTWELXRRWNKDN-LLVKDONJSA-N -1 3 316.369 -0.042 20 0 DBADHM c1nc(N2CCN(C[C@H]3CCCO3)CC2)cnc1-c1nn[n-]n1 ZINC000738451441 598384464 /nfs/dbraw/zinc/38/44/64/598384464.db2.gz GTTWELXRRWNKDN-LLVKDONJSA-N -1 3 316.369 -0.042 20 0 DBADHM NC(=O)CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 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CC(C)NC(=O)CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735884677 598415030 /nfs/dbraw/zinc/41/50/30/598415030.db2.gz OLOQBGIWPQLJQI-UHFFFAOYSA-N -1 3 317.353 -0.081 20 0 DBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=S)NCC(N)=O ZINC000737062802 598417323 /nfs/dbraw/zinc/41/73/23/598417323.db2.gz OUOPLLWEVWWINB-UHFFFAOYSA-N -1 3 307.339 -0.353 20 0 DBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=S)NCC(N)=O ZINC000737062802 598417324 /nfs/dbraw/zinc/41/73/24/598417324.db2.gz OUOPLLWEVWWINB-UHFFFAOYSA-N -1 3 307.339 -0.353 20 0 DBADHM COCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736975429 598419721 /nfs/dbraw/zinc/41/97/21/598419721.db2.gz CRVRFQAYUOCAHK-UHFFFAOYSA-N -1 3 317.353 -0.053 20 0 DBADHM COCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736975429 598419722 /nfs/dbraw/zinc/41/97/22/598419722.db2.gz CRVRFQAYUOCAHK-UHFFFAOYSA-N -1 3 317.353 -0.053 20 0 DBADHM CC(C)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000735721522 598425565 /nfs/dbraw/zinc/42/55/65/598425565.db2.gz MONCZSOIDSFKIW-GFCCVEGCSA-N -1 3 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/nfs/dbraw/zinc/46/05/83/598460583.db2.gz PKLBFWPXLKEKHT-VIFPVBQESA-N -1 3 302.294 -0.103 20 0 DBADHM CN1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736866382 598461974 /nfs/dbraw/zinc/46/19/74/598461974.db2.gz DFIQBNXRUHDMQF-SNVBAGLBSA-N -1 3 303.326 -0.678 20 0 DBADHM CN1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736866382 598461976 /nfs/dbraw/zinc/46/19/76/598461976.db2.gz DFIQBNXRUHDMQF-SNVBAGLBSA-N -1 3 303.326 -0.678 20 0 DBADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000736912817 598464618 /nfs/dbraw/zinc/46/46/18/598464618.db2.gz QVSUBCSTORAXLU-SNVBAGLBSA-N -1 3 318.293 -0.724 20 0 DBADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000736912817 598464620 /nfs/dbraw/zinc/46/46/20/598464620.db2.gz QVSUBCSTORAXLU-SNVBAGLBSA-N -1 3 318.293 -0.724 20 0 DBADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(CCO)CC1 ZINC000738261167 598475963 /nfs/dbraw/zinc/47/59/63/598475963.db2.gz JPBYITAIXYNGFC-UHFFFAOYSA-N -1 3 303.326 -0.988 20 0 DBADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(CCO)CC1 ZINC000738261167 598475964 /nfs/dbraw/zinc/47/59/64/598475964.db2.gz JPBYITAIXYNGFC-UHFFFAOYSA-N -1 3 303.326 -0.988 20 0 DBADHM CNC(=O)CCN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736874575 598509811 /nfs/dbraw/zinc/50/98/11/598509811.db2.gz RUTQLXVIYJNJGY-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM CNC(=O)CCN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736874575 598509813 /nfs/dbraw/zinc/50/98/13/598509813.db2.gz RUTQLXVIYJNJGY-UHFFFAOYSA-N -1 3 324.366 -0.377 20 0 DBADHM O=C(COc1ccc(-c2nnn[n-]2)c(F)c1)N1CCNC1=O ZINC000737917434 598550938 /nfs/dbraw/zinc/55/09/38/598550938.db2.gz XQQQSAOCGUAUKK-UHFFFAOYSA-N -1 3 306.257 -0.064 20 0 DBADHM O=C(COc1ccc(-c2nn[n-]n2)c(F)c1)N1CCNC1=O ZINC000737917434 598550939 /nfs/dbraw/zinc/55/09/39/598550939.db2.gz XQQQSAOCGUAUKK-UHFFFAOYSA-N -1 3 306.257 -0.064 20 0 DBADHM CNC(=O)CN(C)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821632836 607362203 /nfs/dbraw/zinc/36/22/03/607362203.db2.gz LFIAEEVUABUBAA-UHFFFAOYSA-N -1 3 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BSOPINKNARDAKL-UHFFFAOYSA-N -1 3 317.353 -0.096 20 0 DBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cnn(-c2ccncc2)c1 ZINC001581908939 1020860582 /nfs/dbraw/zinc/86/05/82/1020860582.db2.gz IIPRNHDPOLUCRG-UHFFFAOYSA-N -1 3 322.292 -0.085 20 0 DBADHM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnn(-c2ccncc2)c1 ZINC001581908939 1020860583 /nfs/dbraw/zinc/86/05/83/1020860583.db2.gz IIPRNHDPOLUCRG-UHFFFAOYSA-N -1 3 322.292 -0.085 20 0 DBADHM Nc1n[nH]c(CCNC(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001581910437 1020860690 /nfs/dbraw/zinc/86/06/90/1020860690.db2.gz PZNGLCCNKSJGER-UHFFFAOYSA-N -1 3 317.288 -0.321 20 0 DBADHM Nc1n[nH]c(CCNC(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001581910437 1020860691 /nfs/dbraw/zinc/86/06/91/1020860691.db2.gz PZNGLCCNKSJGER-UHFFFAOYSA-N -1 3 317.288 -0.321 20 0 DBADHM O=C(CC1CC1)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001581969630 1020864320 /nfs/dbraw/zinc/86/43/20/1020864320.db2.gz FBGOVVMWIQMYHN-UHFFFAOYSA-N -1 3 315.337 -0.065 20 0 DBADHM O=C(CC1CC1)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001581969630 1020864322 /nfs/dbraw/zinc/86/43/22/1020864322.db2.gz FBGOVVMWIQMYHN-UHFFFAOYSA-N -1 3 315.337 -0.065 20 0 DBADHM O=C(CC1CC1)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001581969826 1020864466 /nfs/dbraw/zinc/86/44/66/1020864466.db2.gz HRDQXQZMTDVQRO-LLVKDONJSA-N -1 3 317.353 -0.049 20 0 DBADHM O=C(CC1CC1)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001581969826 1020864469 /nfs/dbraw/zinc/86/44/69/1020864469.db2.gz HRDQXQZMTDVQRO-LLVKDONJSA-N -1 3 317.353 -0.049 20 0 DBADHM O=C(CCCF)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001582045174 1020871775 /nfs/dbraw/zinc/87/17/75/1020871775.db2.gz NHQFDWWUFXCSJQ-UHFFFAOYSA-N -1 3 321.316 -0.115 20 0 DBADHM O=C(CCCF)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001582045174 1020871777 /nfs/dbraw/zinc/87/17/77/1020871777.db2.gz NHQFDWWUFXCSJQ-UHFFFAOYSA-N -1 3 321.316 -0.115 20 0 DBADHM C[C@H](CN(C)C(=O)c1cnc[n-]c1=O)NC(=O)c1cncnc1 ZINC001510626247 1020872233 /nfs/dbraw/zinc/87/22/33/1020872233.db2.gz LYQDYSJDGJGOMG-SECBINFHSA-N -1 3 316.321 -0.137 20 0 DBADHM O=C(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ncc[nH]1 ZINC001582056057 1020872749 /nfs/dbraw/zinc/87/27/49/1020872749.db2.gz XHAZRBGGTZBLLK-UHFFFAOYSA-N -1 3 315.297 -0.324 20 0 DBADHM O=C(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ncc[nH]1 ZINC001582056057 1020872750 /nfs/dbraw/zinc/87/27/50/1020872750.db2.gz XHAZRBGGTZBLLK-UHFFFAOYSA-N -1 3 315.297 -0.324 20 0 DBADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1cn[n-]n1 ZINC001510647628 1020873990 /nfs/dbraw/zinc/87/39/90/1020873990.db2.gz TVVPQYDKQFXLPE-VIFPVBQESA-N -1 3 318.337 -0.606 20 0 DBADHM O=C(CCn1cnnn1)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001582096219 1020875989 /nfs/dbraw/zinc/87/59/89/1020875989.db2.gz DBPIRNLWVJHQAE-UHFFFAOYSA-N -1 3 315.301 -0.518 20 0 DBADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCn1cccn1 ZINC001582114300 1020877546 /nfs/dbraw/zinc/87/75/46/1020877546.db2.gz SAINTUWQSPNDCH-UHFFFAOYSA-N -1 3 313.325 -0.314 20 0 DBADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCn1cccn1 ZINC001582114300 1020877548 /nfs/dbraw/zinc/87/75/48/1020877548.db2.gz SAINTUWQSPNDCH-UHFFFAOYSA-N -1 3 313.325 -0.314 20 0 DBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1C[C@H](CO)[C@H](O)C1 ZINC001582112529 1020877686 /nfs/dbraw/zinc/87/76/86/1020877686.db2.gz KRBGLKRDDZHMEU-ZYHUDNBSSA-N -1 3 318.337 -0.910 20 0 DBADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1COCCO1 ZINC001582113750 1020877788 /nfs/dbraw/zinc/87/77/88/1020877788.db2.gz GGIJJFWMHDGALT-SNVBAGLBSA-N -1 3 319.325 -0.795 20 0 DBADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1COCCO1 ZINC001582113750 1020877789 /nfs/dbraw/zinc/87/77/89/1020877789.db2.gz GGIJJFWMHDGALT-SNVBAGLBSA-N -1 3 319.325 -0.795 20 0 DBADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582112527 1020877868 /nfs/dbraw/zinc/87/78/68/1020877868.db2.gz KRBGLKRDDZHMEU-PWSUYJOCSA-N -1 3 318.337 -0.910 20 0 DBADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582126841 1020878958 /nfs/dbraw/zinc/87/89/58/1020878958.db2.gz FBRULBYXNLZMJR-PWSUYJOCSA-N -1 3 319.321 -0.943 20 0 DBADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001582136809 1020880329 /nfs/dbraw/zinc/88/03/29/1020880329.db2.gz HNXZBRCIWJVAQY-XQQFMLRXSA-N -1 3 317.349 -0.200 20 0 DBADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001582136809 1020880330 /nfs/dbraw/zinc/88/03/30/1020880330.db2.gz HNXZBRCIWJVAQY-XQQFMLRXSA-N -1 3 317.349 -0.200 20 0 DBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H](O)c1c[nH]cn1 ZINC001582147044 1020880875 /nfs/dbraw/zinc/88/08/75/1020880875.db2.gz WJSPGRIAOFQDLC-LBPRGKRZSA-N -1 3 313.321 -0.018 20 0 DBADHM O=C(Cn1ncnn1)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001582207620 1020886445 /nfs/dbraw/zinc/88/64/45/1020886445.db2.gz XTVWTRVWPIVMKZ-UHFFFAOYSA-N -1 3 319.716 -0.177 20 0 DBADHM O=C(Cn1ncnn1)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001582207620 1020886450 /nfs/dbraw/zinc/88/64/50/1020886450.db2.gz XTVWTRVWPIVMKZ-UHFFFAOYSA-N -1 3 319.716 -0.177 20 0 DBADHM O=C(N[C@H](CO)[C@H]1CCCOC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001582231948 1020887068 /nfs/dbraw/zinc/88/70/68/1020887068.db2.gz UJTBPVVNTXFJSA-CMPLNLGQSA-N -1 3 318.337 -0.221 20 0 DBADHM O=C(N[C@H](CO)[C@H]1CCCOC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001582231948 1020887069 /nfs/dbraw/zinc/88/70/69/1020887069.db2.gz UJTBPVVNTXFJSA-CMPLNLGQSA-N -1 3 318.337 -0.221 20 0 DBADHM O=C(N[C@@H](CO)CC1OCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC001582231082 1020887393 /nfs/dbraw/zinc/88/73/93/1020887393.db2.gz PFRRUIISBTZZQL-LLVKDONJSA-N -1 3 319.321 -0.280 20 0 DBADHM O=C(N[C@@H](CO)CC1OCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC001582231082 1020887394 /nfs/dbraw/zinc/88/73/94/1020887394.db2.gz PFRRUIISBTZZQL-LLVKDONJSA-N -1 3 319.321 -0.280 20 0 DBADHM O=C(NC1CN(Cc2cnon2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001582337060 1020891572 /nfs/dbraw/zinc/89/15/72/1020891572.db2.gz XMSNDBOMPLHGCE-UHFFFAOYSA-N -1 3 315.297 -0.808 20 0 DBADHM O=C(NC1CN(Cc2cnon2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001582337060 1020891574 /nfs/dbraw/zinc/89/15/74/1020891574.db2.gz XMSNDBOMPLHGCE-UHFFFAOYSA-N -1 3 315.297 -0.808 20 0 DBADHM O=C(NC[C@H](O)Cn1ccnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001582381955 1020894257 /nfs/dbraw/zinc/89/42/57/1020894257.db2.gz QIVOQSVNIZXUMG-NSHDSACASA-N -1 3 314.309 -0.751 20 0 DBADHM O=C(NC[C@H](O)Cn1ccnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001582381955 1020894260 /nfs/dbraw/zinc/89/42/60/1020894260.db2.gz QIVOQSVNIZXUMG-NSHDSACASA-N -1 3 314.309 -0.751 20 0 DBADHM O=C(NC[C@@H]1CCN1C(=O)C1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001582466468 1020898392 /nfs/dbraw/zinc/89/83/92/1020898392.db2.gz UGJLTZQUNNRBEC-VIFPVBQESA-N -1 3 315.337 -0.065 20 0 DBADHM O=C(NC[C@@H]1CCN1C(=O)C1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001582466468 1020898394 /nfs/dbraw/zinc/89/83/94/1020898394.db2.gz UGJLTZQUNNRBEC-VIFPVBQESA-N -1 3 315.337 -0.065 20 0 DBADHM O=C(NCCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1COC[C@H]1O ZINC001582526494 1020903287 /nfs/dbraw/zinc/90/32/87/1020903287.db2.gz GJFABKQKUDWPLW-VXGBXAGGSA-N -1 3 318.337 -0.532 20 0 DBADHM O=C(NCCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1COC[C@H]1O ZINC001582526494 1020903291 /nfs/dbraw/zinc/90/32/91/1020903291.db2.gz GJFABKQKUDWPLW-VXGBXAGGSA-N -1 3 318.337 -0.532 20 0 DBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1C[C@H](CO)[C@H](O)C1 ZINC001582545913 1020908038 /nfs/dbraw/zinc/90/80/38/1020908038.db2.gz LRZBOYQUDCEPEK-VXGBXAGGSA-N -1 3 318.337 -0.639 20 0 DBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1C[C@H](CO)[C@H](O)C1 ZINC001582545913 1020908044 /nfs/dbraw/zinc/90/80/44/1020908044.db2.gz LRZBOYQUDCEPEK-VXGBXAGGSA-N -1 3 318.337 -0.639 20 0 DBADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582552534 1020908952 /nfs/dbraw/zinc/90/89/52/1020908952.db2.gz SWMLYXCLFPQRHV-NEPJUHHUSA-N -1 3 318.337 -0.639 20 0 DBADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001582552534 1020908958 /nfs/dbraw/zinc/90/89/58/1020908958.db2.gz SWMLYXCLFPQRHV-NEPJUHHUSA-N -1 3 318.337 -0.639 20 0 DBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N[C@@H]1COC[C@H]1O ZINC001582547818 1020909940 /nfs/dbraw/zinc/90/99/40/1020909940.db2.gz QHKKYNNYLPFXDQ-GHMZBOCLSA-N -1 3 322.300 -0.435 20 0 DBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N[C@@H]1COC[C@H]1O ZINC001582547818 1020909944 /nfs/dbraw/zinc/90/99/44/1020909944.db2.gz QHKKYNNYLPFXDQ-GHMZBOCLSA-N -1 3 322.300 -0.435 20 0 DBADHM O=C(N[C@H](CO)Cc1c[nH]cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582586682 1020912262 /nfs/dbraw/zinc/91/22/62/1020912262.db2.gz XUPWAOSAFNQXET-JTQLQIEISA-N -1 3 314.309 -0.682 20 0 DBADHM O=C(N[C@@H]1COCC[C@H]1O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001582583091 1020912337 /nfs/dbraw/zinc/91/23/37/1020912337.db2.gz CGFXCYDJDMNSDI-RKDXNWHRSA-N -1 3 324.728 -0.205 20 0 DBADHM O=C(N[C@@H]1COCC[C@H]1O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001582583091 1020912342 /nfs/dbraw/zinc/91/23/42/1020912342.db2.gz CGFXCYDJDMNSDI-RKDXNWHRSA-N -1 3 324.728 -0.205 20 0 DBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2nc[nH]n2)CC1 ZINC001582672184 1020918303 /nfs/dbraw/zinc/91/83/03/1020918303.db2.gz NLTBWLIYOVAOFS-UHFFFAOYSA-N -1 3 314.313 -0.725 20 0 DBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2nc[nH]n2)CC1 ZINC001582672184 1020918307 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