smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000823122491 946322729 /nfs/dbraw/zinc/32/27/29/946322729.db2.gz CSWLEPSSXMKXDS-CYBMUJFWSA-N -1 1 384.400 0.372 20 10 GCCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)N(C)C)cc1 ZINC001598314283 991295130 /nfs/dbraw/zinc/29/51/30/991295130.db2.gz LIYYRYMFDCDNNY-AWEZNQCLSA-N -1 1 381.458 0.755 20 10 GCCDMM COc1ccc([N@@H+]2CC[C@H](CNS(=O)(=O)c3cc(C(=O)[O-])[n-]n3)C2)cc1 ZINC001599586899 993625007 /nfs/dbraw/zinc/62/50/07/993625007.db2.gz XDGYCMVBCHJYDL-LLVKDONJSA-N -1 1 380.426 0.921 20 10 GCCDMM COc1ccc([N@H+]2CC[C@H](CNS(=O)(=O)c3cc(C(=O)[O-])[n-]n3)C2)cc1 ZINC001599586899 993625011 /nfs/dbraw/zinc/62/50/11/993625011.db2.gz XDGYCMVBCHJYDL-LLVKDONJSA-N -1 1 380.426 0.921 20 10 GCCDMM CO[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001599070309 999327947 /nfs/dbraw/zinc/32/79/47/999327947.db2.gz ISFKPAQADWUYDF-IBGZPJMESA-N -1 1 376.457 0.824 20 10 GCCDMM CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821589548 599232641 /nfs/dbraw/zinc/23/26/41/599232641.db2.gz SJUXZMPVUZADOP-UHFFFAOYSA-N -1 1 387.425 0.915 20 10 GCCDMM CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821589548 599232642 /nfs/dbraw/zinc/23/26/42/599232642.db2.gz SJUXZMPVUZADOP-UHFFFAOYSA-N -1 1 387.425 0.915 20 10 GCCDMM Cc1cc(C(=O)NN2CC(=O)[N-]C2=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236966 598618027 /nfs/dbraw/zinc/61/80/27/598618027.db2.gz WMRNKPPIEFVDBU-UHFFFAOYSA-N -1 1 380.368 0.471 20 10 GCCDMM O=S1(=O)CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)CC1 ZINC000826496915 608410819 /nfs/dbraw/zinc/41/08/19/608410819.db2.gz NQIUFHLRXFDPFY-UHFFFAOYSA-N -1 1 386.441 0.504 20 10 GCCDMM O=S1(=O)CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)CC1 ZINC000826496915 608410820 /nfs/dbraw/zinc/41/08/20/608410820.db2.gz NQIUFHLRXFDPFY-UHFFFAOYSA-N -1 1 386.441 0.504 20 10 GCCDMM CO[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCS(=O)(=O)C1 ZINC000897576490 639193346 /nfs/dbraw/zinc/19/33/46/639193346.db2.gz KAMVQENGBVQMQQ-ZDUSSCGKSA-N -1 1 378.244 0.975 20 10 GCCDMM CCNS(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764781403 640654828 /nfs/dbraw/zinc/65/48/28/640654828.db2.gz VZQXKJJNFPVARZ-UHFFFAOYSA-N -1 1 380.264 0.893 20 10 GCCDMM CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001279107641 1185218342 /nfs/dbraw/zinc/21/83/42/1185218342.db2.gz OHGPWGVTEHZKNH-HIFRSBDPSA-N -1 1 377.413 0.362 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CC(=O)N3CCSCC3)no2)c1 ZINC000277922170 1186704599 /nfs/dbraw/zinc/70/45/99/1186704599.db2.gz NOMFZBHRFBYZPV-UHFFFAOYSA-N -1 1 398.466 0.932 20 10 GCCDMM COCCN1C(=O)C(=CNCCCOCc2ccccc2)C(=O)[N-]C1=S ZINC000731001043 1201468456 /nfs/dbraw/zinc/46/84/56/1201468456.db2.gz LKMIMRLYVUMVAP-QINSGFPZSA-N -1 1 377.466 0.957 20 10 GCCDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000788646574 1205426602 /nfs/dbraw/zinc/42/66/02/1205426602.db2.gz HNIMQCDZSDDILM-UHFFFAOYSA-N -1 1 392.387 0.927 20 10 GCCDMM COc1ccc(N2CCN(CC[N-]S(=O)(=O)c3c(N)noc3C)CC2)cc1 ZINC000809816099 1205629922 /nfs/dbraw/zinc/62/99/22/1205629922.db2.gz CBRBUJSLISXDSH-UHFFFAOYSA-N -1 1 395.485 0.674 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)Cn3nn[n-]c3=S)CC2)cc1 ZINC001177742851 1205776103 /nfs/dbraw/zinc/77/61/03/1205776103.db2.gz HHZBRCNYQHSJPN-UHFFFAOYSA-N -1 1 391.501 0.299 20 10 GCCDMM CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001180794946 1205832496 /nfs/dbraw/zinc/83/24/96/1205832496.db2.gz QJFBEPMXCZHSHN-UHFFFAOYSA-N -1 1 393.440 0.949 20 10 GCCDMM CS(=O)(=O)Oc1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001180867075 1205834598 /nfs/dbraw/zinc/83/45/98/1205834598.db2.gz ARXQRCJIBWJBTB-UHFFFAOYSA-N -1 1 379.390 0.978 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CNC(=O)O3)cc12 ZINC001184359283 1205908013 /nfs/dbraw/zinc/90/80/13/1205908013.db2.gz CKIWAHBARMPHFO-GFCCVEGCSA-N -1 1 375.381 0.463 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@H]4CN(C)C(=O)[C@H]4C3)cc12 ZINC001184359623 1205908136 /nfs/dbraw/zinc/90/81/36/1205908136.db2.gz QIHVGGUXOPXZRC-ZBFHGGJFSA-N -1 1 399.447 0.785 20 10 GCCDMM CC(=O)N1C[C@H]2C[C@@]2(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184362370 1205908144 /nfs/dbraw/zinc/90/81/44/1205908144.db2.gz ROTOFAOLLXKQGV-QVKFZJNVSA-N -1 1 399.447 0.976 20 10 GCCDMM COC(=O)[C@@H](NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-])[C@@H](C)O ZINC001184362976 1205908317 /nfs/dbraw/zinc/90/83/17/1205908317.db2.gz ZCINCSTYTDJNKG-ZMZPIMSZSA-N -1 1 392.408 0.277 20 10 GCCDMM CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186935984 1205951100 /nfs/dbraw/zinc/95/11/00/1205951100.db2.gz XNGHWCVZTGPIKH-NWDGAFQWSA-N -1 1 380.397 0.936 20 10 GCCDMM CCOC(=O)CC[C@H](NC(=O)NCC(=O)c1ccc([O-])c(O)c1)C(=O)OCC ZINC001190490468 1206037869 /nfs/dbraw/zinc/03/78/69/1206037869.db2.gz SBHFYRKUCDIDNM-LBPRGKRZSA-N -1 1 396.396 0.855 20 10 GCCDMM Cc1onc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826347997 948064266 /nfs/dbraw/zinc/06/42/66/948064266.db2.gz PAOUUANNSKHRQG-UHFFFAOYSA-N -1 1 383.412 0.859 20 10 GCCDMM Cc1onc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826347997 948064276 /nfs/dbraw/zinc/06/42/76/948064276.db2.gz PAOUUANNSKHRQG-UHFFFAOYSA-N -1 1 383.412 0.859 20 10 GCCDMM C[C@@]1(C(=O)NCCC2=CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575593530 950319457 /nfs/dbraw/zinc/31/94/57/950319457.db2.gz HHBZRKHNHKRPNL-GOSISDBHSA-N -1 1 384.444 0.726 20 10 GCCDMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001594891455 954531699 /nfs/dbraw/zinc/53/16/99/954531699.db2.gz VUPRHVVOMPJBQG-TVQRCGJNSA-N -1 1 390.314 0.763 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)c3cn(CC(=O)[O-])nn3)cc2F)CC1 ZINC001573888404 961321602 /nfs/dbraw/zinc/32/16/02/961321602.db2.gz DWTSGONJMGPKDW-UHFFFAOYSA-N -1 1 390.419 0.574 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001598622439 994025128 /nfs/dbraw/zinc/02/51/28/994025128.db2.gz JYPCIVJTBQPAPM-DOTOQJQBSA-N -1 1 376.457 0.415 20 10 GCCDMM NS(=O)(=O)N1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277639743 530333922 /nfs/dbraw/zinc/33/39/22/530333922.db2.gz XYWGIYLVPKSMDJ-UHFFFAOYSA-N -1 1 392.275 0.686 20 10 GCCDMM CN(C)C(=O)Cn1cc(C(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000277639598 530333981 /nfs/dbraw/zinc/33/39/81/530333981.db2.gz XXLIIZQSOPAITP-UHFFFAOYSA-N -1 1 382.218 0.764 20 10 GCCDMM CC(C)N(C)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000060865332 530784930 /nfs/dbraw/zinc/78/49/30/530784930.db2.gz KPUVFABKXLTMAB-UHFFFAOYSA-N -1 1 382.467 0.542 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CS(=O)(=O)NC3CC3)no2)c1 ZINC000771641423 640829678 /nfs/dbraw/zinc/82/96/78/640829678.db2.gz QMFSSKHSUKISRL-UHFFFAOYSA-N -1 1 388.427 0.396 20 10 GCCDMM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000821146657 641979475 /nfs/dbraw/zinc/97/94/75/641979475.db2.gz KFSJZYIAIANGJQ-WDEREUQCSA-N -1 1 393.259 0.766 20 10 GCCDMM CN(C)c1ccc([C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)N(C)C)cc1 ZINC000891252669 1185182627 /nfs/dbraw/zinc/18/26/27/1185182627.db2.gz MAVDBADKHDFZCW-MRXNPFEDSA-N -1 1 383.456 0.556 20 10 GCCDMM COc1c([O-])c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278229654 1186840251 /nfs/dbraw/zinc/84/02/51/1186840251.db2.gz MPZPLGNRYRMGHT-UHFFFAOYSA-N -1 1 378.385 0.232 20 10 GCCDMM COCCN1C(=O)C(=CNc2ccccc2N2CCCC2=O)C(=O)[N-]C1=S ZINC000052536793 1186926356 /nfs/dbraw/zinc/92/63/56/1186926356.db2.gz HCHLXVSUERNCFI-QXMHVHEDSA-N -1 1 388.449 0.999 20 10 GCCDMM COCCN1C(=O)C(=CNC[C@@H]2COc3ccccc3C2)C(=O)[N-]C1=S ZINC000730969037 1201468587 /nfs/dbraw/zinc/46/85/87/1201468587.db2.gz CFLLRZRKKYLBMS-HLVNSREUSA-N -1 1 375.450 0.601 20 10 GCCDMM CCOCCCNC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000770985749 1202119783 /nfs/dbraw/zinc/11/97/83/1202119783.db2.gz GTXWCSGISIBKGE-UHFFFAOYSA-N -1 1 398.441 0.899 20 10 GCCDMM COC(=O)Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1S(N)(=O)=O ZINC001170320968 1205490765 /nfs/dbraw/zinc/49/07/65/1205490765.db2.gz SHDDQVBJAKZULK-UHFFFAOYSA-N -1 1 394.405 0.756 20 10 GCCDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccc(N4CCOCC4)cc3)ccnc1-2 ZINC000806862245 1205568750 /nfs/dbraw/zinc/56/87/50/1205568750.db2.gz JNQJXWRONMKOFB-UHFFFAOYSA-N -1 1 394.435 0.433 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CN(C)CCO3)cc12 ZINC001184362177 1205908034 /nfs/dbraw/zinc/90/80/34/1205908034.db2.gz NQRKDJFPSXGYDM-OAHLLOKOSA-N -1 1 389.452 0.686 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CN(C)CCO3)cc12 ZINC001184362176 1205908246 /nfs/dbraw/zinc/90/82/46/1205908246.db2.gz NQRKDJFPSXGYDM-HNNXBMFYSA-N -1 1 389.452 0.686 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3CN(C4COC4)C3)cc12 ZINC001184360376 1205908294 /nfs/dbraw/zinc/90/82/94/1205908294.db2.gz OIKKDDONQRDRMS-UHFFFAOYSA-N -1 1 387.436 0.438 20 10 GCCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000775286113 1206014550 /nfs/dbraw/zinc/01/45/50/1206014550.db2.gz CVNOGJAXGLGHGN-UHFFFAOYSA-N -1 1 375.366 0.955 20 10 GCCDMM CN(C)c1ccc([C@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000903556494 969581590 /nfs/dbraw/zinc/58/15/90/969581590.db2.gz BBSGMEKECRQWQN-KRWDZBQOSA-N -1 1 398.529 0.986 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001599585005 993600521 /nfs/dbraw/zinc/60/05/21/993600521.db2.gz CIBOQUWDNMHKIW-IEZWGBDMSA-N -1 1 393.484 0.352 20 10 GCCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@](OC)(C(=O)[O-])C3)CC2)cc1 ZINC001599585082 993601732 /nfs/dbraw/zinc/60/17/32/993601732.db2.gz IUJCCBUFGDYHSF-LJQANCHMSA-N -1 1 377.441 0.519 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)Cn3cccc(C(=O)[O-])c3=O)cc2)CC1 ZINC001598622417 994025543 /nfs/dbraw/zinc/02/55/43/994025543.db2.gz ISVZCHYXNIHEPS-UHFFFAOYSA-N -1 1 384.436 0.615 20 10 GCCDMM CO[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001599076549 996881790 /nfs/dbraw/zinc/88/17/90/996881790.db2.gz OZODLUZGVVHKGQ-LJQANCHMSA-N -1 1 395.431 0.454 20 10 GCCDMM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001599070310 999327936 /nfs/dbraw/zinc/32/79/36/999327936.db2.gz ISFKPAQADWUYDF-LJQANCHMSA-N -1 1 376.457 0.824 20 10 GCCDMM CCN1CCN(CC(=O)NCc2cccc(Br)c2[O-])C(=O)C1=O ZINC000277583667 530333449 /nfs/dbraw/zinc/33/34/49/530333449.db2.gz RRIRFDSHLHHSPX-UHFFFAOYSA-N -1 1 384.230 0.462 20 10 GCCDMM O=C(CN1CCS(=O)(=O)CC1)NCc1cccc(Br)c1[O-] ZINC000277628357 530333969 /nfs/dbraw/zinc/33/39/69/530333969.db2.gz WXVLLSMJALETFT-UHFFFAOYSA-N -1 1 377.260 0.501 20 10 GCCDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000823131700 607239534 /nfs/dbraw/zinc/23/95/34/607239534.db2.gz MEBLKPAQULSBEI-UHFFFAOYSA-N -1 1 387.367 0.807 20 10 GCCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000290575525 638572072 /nfs/dbraw/zinc/57/20/72/638572072.db2.gz UXVYHFZXDLNPMF-UHFFFAOYSA-N -1 1 380.444 0.202 20 10 GCCDMM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728257 640678474 /nfs/dbraw/zinc/67/84/74/640678474.db2.gz FGIFUWRWIODDBR-CYBMUJFWSA-N -1 1 398.257 0.898 20 10 GCCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000765751290 640679783 /nfs/dbraw/zinc/67/97/83/640679783.db2.gz DNMFTOLXIMOBCZ-NSHDSACASA-N -1 1 391.287 0.890 20 10 GCCDMM CCn1cncc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000776506081 641099101 /nfs/dbraw/zinc/09/91/01/641099101.db2.gz NIKGFDRCDSDLMI-UHFFFAOYSA-N -1 1 388.427 0.774 20 10 GCCDMM CNS(=O)(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000811500348 641758046 /nfs/dbraw/zinc/75/80/46/641758046.db2.gz ZJDMYADPQDVDHD-UHFFFAOYSA-N -1 1 378.838 0.972 20 10 GCCDMM CN1CCO[C@@H](CS(=O)(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867194678 642256289 /nfs/dbraw/zinc/25/62/89/642256289.db2.gz CCTPXKUWOVWNBO-LLVKDONJSA-N -1 1 379.276 0.905 20 10 GCCDMM Cn1cnc(S(=O)(=O)N2CC3(CN(Cc4cc(F)c(F)cc4[O-])C3)C2)c1 ZINC001279106830 1184634546 /nfs/dbraw/zinc/63/45/46/1184634546.db2.gz FWQHDYCRJCLOLB-UHFFFAOYSA-N -1 1 384.408 0.910 20 10 GCCDMM CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001279107643 1185217959 /nfs/dbraw/zinc/21/79/59/1185217959.db2.gz OHGPWGVTEHZKNH-ZFWWWQNUSA-N -1 1 377.413 0.362 20 10 GCCDMM Cc1cc(NC(=O)CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)no1 ZINC000276756350 1186020444 /nfs/dbraw/zinc/02/04/44/1186020444.db2.gz WQGYUHCYSUGQEX-UHFFFAOYSA-N -1 1 378.360 0.930 20 10 GCCDMM C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182975099 1205885136 /nfs/dbraw/zinc/88/51/36/1205885136.db2.gz MJBMLENFSMJUNB-LBPRGKRZSA-N -1 1 392.433 0.905 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@H](O)[C@@H](CO)C3)cc12 ZINC001184357193 1205907929 /nfs/dbraw/zinc/90/79/29/1205907929.db2.gz UPGCNQMBEMTMCD-ZBFHGGJFSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3COCCN3C)cc12 ZINC001184361585 1205908037 /nfs/dbraw/zinc/90/80/37/1205908037.db2.gz XKWBDUTWBRAHKL-HNNXBMFYSA-N -1 1 389.452 0.686 20 10 GCCDMM Cc1cc(=O)oc2cc(O)c(CN(C)CC(=O)NCC(=O)CCC(=O)[O-])cc12 ZINC001184359330 1205908241 /nfs/dbraw/zinc/90/82/41/1205908241.db2.gz DLNOVYNWMZDANR-UHFFFAOYSA-N -1 1 390.392 0.789 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@@H]3SC(=O)[N-]C3=O)cc12 ZINC001184362953 1205908252 /nfs/dbraw/zinc/90/82/52/1205908252.db2.gz XXTCWTCHCBFDSA-MRXNPFEDSA-N -1 1 391.405 0.664 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@@H]3SC(=O)[N-]C3=O)cc12 ZINC001184362953 1205908253 /nfs/dbraw/zinc/90/82/53/1205908253.db2.gz XXTCWTCHCBFDSA-MRXNPFEDSA-N -1 1 391.405 0.664 20 10 GCCDMM CCC(CO)(CO)NC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184362175 1205908289 /nfs/dbraw/zinc/90/82/89/1205908289.db2.gz NONXKOQQIOIKOW-UHFFFAOYSA-N -1 1 378.425 0.488 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3CC(CO)(CO)C3)cc12 ZINC001184361609 1205908324 /nfs/dbraw/zinc/90/83/24/1205908324.db2.gz JSAXSHQDRORRCA-UHFFFAOYSA-N -1 1 390.436 0.488 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3COCC[C@@H]3O)cc12 ZINC001184360892 1205908329 /nfs/dbraw/zinc/90/83/29/1205908329.db2.gz AXQNAAUAKQMLKE-GJZGRUSLSA-N -1 1 376.409 0.505 20 10 GCCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)N(C)C)cc1 ZINC000903556495 969582516 /nfs/dbraw/zinc/58/25/16/969582516.db2.gz BBSGMEKECRQWQN-QGZVFWFLSA-N -1 1 398.529 0.986 20 10 GCCDMM CN(C)c1ccc(CNC(=O)CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1 ZINC001598317998 991310156 /nfs/dbraw/zinc/31/01/56/991310156.db2.gz PULNJJBIBXYVBV-UHFFFAOYSA-N -1 1 386.456 0.996 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)COCc3ocnc3C(=O)[O-])cc2)CC1 ZINC001598622516 994027892 /nfs/dbraw/zinc/02/78/92/994027892.db2.gz OGUQDRRNYCHTKH-UHFFFAOYSA-N -1 1 388.424 0.958 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2)CC1 ZINC001598622744 994032319 /nfs/dbraw/zinc/03/23/19/994032319.db2.gz XSLKRKPRHVUJCU-KRWDZBQOSA-N -1 1 376.457 0.824 20 10 GCCDMM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1c(F)ccc(O)c1[O-] ZINC000295032471 530567948 /nfs/dbraw/zinc/56/79/48/530567948.db2.gz IMMHCJTTZYAIPU-JTQLQIEISA-N -1 1 376.406 0.455 20 10 GCCDMM COCCCS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295621985 530568391 /nfs/dbraw/zinc/56/83/91/530568391.db2.gz ZZABOONCHKNZPX-UHFFFAOYSA-N -1 1 376.406 0.361 20 10 GCCDMM Cc1cc(Br)c([O-])c(CN2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000897279490 639099657 /nfs/dbraw/zinc/09/96/57/639099657.db2.gz RBXMJHHFFRZUNN-LLVKDONJSA-N -1 1 376.276 0.797 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 ZINC000769702318 640782239 /nfs/dbraw/zinc/78/22/39/640782239.db2.gz XWQZPHYCYMSLSJ-UHFFFAOYSA-N -1 1 385.423 0.815 20 10 GCCDMM Cc1c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)cnn1C ZINC000793389784 641470357 /nfs/dbraw/zinc/47/03/57/641470357.db2.gz XQVVZWPOMUMYBS-UHFFFAOYSA-N -1 1 388.427 0.599 20 10 GCCDMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000824012108 642032983 /nfs/dbraw/zinc/03/29/83/642032983.db2.gz PAUGIYAMACAWHP-UHFFFAOYSA-N -1 1 375.422 0.581 20 10 GCCDMM Cn1c(=O)c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cnc2n(C)c1=O ZINC000782639492 1187573927 /nfs/dbraw/zinc/57/39/27/1187573927.db2.gz DHQJUKGGUJIPMJ-UHFFFAOYSA-N -1 1 385.332 0.083 20 10 GCCDMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000742654548 1201805178 /nfs/dbraw/zinc/80/51/78/1201805178.db2.gz JASODAMUTOONOF-UHFFFAOYSA-N -1 1 392.481 0.553 20 10 GCCDMM O=C(CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170316680 1205490851 /nfs/dbraw/zinc/49/08/51/1205490851.db2.gz XTZJRETYJNHSBU-UHFFFAOYSA-N -1 1 375.341 0.927 20 10 GCCDMM CCOC(=O)c1c2c(sc1NC(=O)CCC(=O)NCc1nn[n-]n1)CCC2 ZINC001177958035 1205780258 /nfs/dbraw/zinc/78/02/58/1205780258.db2.gz XQMYSRYNVBRFAB-UHFFFAOYSA-N -1 1 392.441 0.962 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@H](CO)[C@H](O)C3)cc12 ZINC001184357007 1205907920 /nfs/dbraw/zinc/90/79/20/1205907920.db2.gz QRZYGMDKHVYBQF-CXAGYDPISA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CNC(=O)C3(C)C)cc12 ZINC001184359807 1205908158 /nfs/dbraw/zinc/90/81/58/1205908158.db2.gz LTAAIOWYLANCDI-INIZCTEOSA-N -1 1 387.436 0.880 20 10 GCCDMM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187313962 1205960813 /nfs/dbraw/zinc/96/08/13/1205960813.db2.gz KTKRUEOEDJHTPF-ZDUSSCGKSA-N -1 1 393.440 0.948 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)cc2)CC1 ZINC001604228289 972728058 /nfs/dbraw/zinc/72/80/58/972728058.db2.gz RTKBTDPSVGOJAF-KRWDZBQOSA-N -1 1 388.468 0.378 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC001598622440 994025436 /nfs/dbraw/zinc/02/54/36/994025436.db2.gz JYPCIVJTBQPAPM-NVXWUHKLSA-N -1 1 376.457 0.415 20 10 GCCDMM CC(=O)NCCNC(=O)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277561321 530333141 /nfs/dbraw/zinc/33/31/41/530333141.db2.gz PLFPDGMOORVTIR-UHFFFAOYSA-N -1 1 386.246 0.803 20 10 GCCDMM CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279107102 1184878071 /nfs/dbraw/zinc/87/80/71/1184878071.db2.gz JAHDHGQBEFNAOT-TXEJJXNPSA-N -1 1 377.413 0.362 20 10 GCCDMM COc1c([O-])c(CN2CCN(C(=O)CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000278151261 1186803768 /nfs/dbraw/zinc/80/37/68/1186803768.db2.gz CGZWRQTWKGZBID-UHFFFAOYSA-N -1 1 394.428 0.285 20 10 GCCDMM COCCN1C(=O)C(=CNNc2cccc(C(F)(F)F)n2)C(=O)[N-]C1=S ZINC000265912477 1200098287 /nfs/dbraw/zinc/09/82/87/1200098287.db2.gz WRRVRYCAMMDYKP-FPLPWBNLSA-N -1 1 389.359 0.791 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 ZINC000768346376 1202013685 /nfs/dbraw/zinc/01/36/85/1202013685.db2.gz LZVMNPXMOIZBGE-UHFFFAOYSA-N -1 1 399.450 0.805 20 10 GCCDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000809811131 1205629696 /nfs/dbraw/zinc/62/96/96/1205629696.db2.gz YHYAYSHSZPIEJP-CYBMUJFWSA-N -1 1 393.469 0.745 20 10 GCCDMM CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181047020 1205837981 /nfs/dbraw/zinc/83/79/81/1205837981.db2.gz XFUYLRGBMGEBSC-AWEZNQCLSA-N -1 1 396.396 0.853 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000774217648 1205866368 /nfs/dbraw/zinc/86/63/68/1205866368.db2.gz OKWNBPFOSXTPCU-VIFPVBQESA-N -1 1 382.398 0.872 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@H](O)[C@H](CO)C3)cc12 ZINC001184357192 1205907755 /nfs/dbraw/zinc/90/77/55/1205907755.db2.gz UPGCNQMBEMTMCD-HOCLYGCPSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCn4nncc4C3)cc12 ZINC001184358947 1205908226 /nfs/dbraw/zinc/90/82/26/1205908226.db2.gz GFACRDHVYABVOG-UHFFFAOYSA-N -1 1 383.408 0.873 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCn4cnnc4C3)cc12 ZINC001184355297 1205908598 /nfs/dbraw/zinc/90/85/98/1205908598.db2.gz VUZSVVOCFUYJTK-UHFFFAOYSA-N -1 1 383.408 0.873 20 10 GCCDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823122492 946322066 /nfs/dbraw/zinc/32/20/66/946322066.db2.gz CSWLEPSSXMKXDS-ZDUSSCGKSA-N -1 1 384.400 0.372 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)[C@](C)(OC)C(=O)[O-])CC2)cc1 ZINC000852953028 955879014 /nfs/dbraw/zinc/87/90/14/955879014.db2.gz ZTWSLHYHGTTXPX-IBGZPJMESA-N -1 1 379.457 0.813 20 10 GCCDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2ccc(N3CC=CC3)cc2)n(C)c1=O ZINC000737595604 598973423 /nfs/dbraw/zinc/97/34/23/598973423.db2.gz IVECFNVYRJOWJV-UHFFFAOYSA-N -1 1 380.412 0.252 20 10 GCCDMM O=S1(=O)CCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC000738360350 598394066 /nfs/dbraw/zinc/39/40/66/598394066.db2.gz VVMRMIQYFJQPNX-UHFFFAOYSA-N -1 1 386.441 0.504 20 10 GCCDMM O=S1(=O)CCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC000738360350 598394069 /nfs/dbraw/zinc/39/40/69/598394069.db2.gz VVMRMIQYFJQPNX-UHFFFAOYSA-N -1 1 386.441 0.504 20 10 GCCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCN1CCOCC1 ZINC000823503877 599310277 /nfs/dbraw/zinc/31/02/77/599310277.db2.gz JVHUQYSJJHIUBJ-XFXZXTDPSA-N -1 1 392.466 0.993 20 10 GCCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCN1CCOCC1 ZINC000823503877 599310280 /nfs/dbraw/zinc/31/02/80/599310280.db2.gz JVHUQYSJJHIUBJ-XFXZXTDPSA-N -1 1 392.466 0.993 20 10 GCCDMM CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000392187966 600676258 /nfs/dbraw/zinc/67/62/58/600676258.db2.gz HYEFDRPGZWBTIT-UHFFFAOYSA-N -1 1 388.427 0.530 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826223933 607604507 /nfs/dbraw/zinc/60/45/07/607604507.db2.gz HBGCCRXCKTURMU-UHFFFAOYSA-N -1 1 390.381 0.696 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826223933 607604508 /nfs/dbraw/zinc/60/45/08/607604508.db2.gz HBGCCRXCKTURMU-UHFFFAOYSA-N -1 1 390.381 0.696 20 10 GCCDMM COc1ccc(N2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821832111 607212797 /nfs/dbraw/zinc/21/27/97/607212797.db2.gz ZYRNBTJBNSMDJB-UHFFFAOYSA-N -1 1 383.416 0.252 20 10 GCCDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccccc2O)n1 ZINC000824148479 608350759 /nfs/dbraw/zinc/35/07/59/608350759.db2.gz WNNFCYIPVWXJCI-UHFFFAOYSA-N -1 1 384.400 0.779 20 10 GCCDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccccc2O)n1 ZINC000824148479 608350761 /nfs/dbraw/zinc/35/07/61/608350761.db2.gz WNNFCYIPVWXJCI-UHFFFAOYSA-N -1 1 384.400 0.779 20 10 GCCDMM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000826389966 608401892 /nfs/dbraw/zinc/40/18/92/608401892.db2.gz MPZCWHNWTMAZHF-ZDUSSCGKSA-N -1 1 379.428 0.971 20 10 GCCDMM NC(=O)[C@H]1CCCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000826389966 608401894 /nfs/dbraw/zinc/40/18/94/608401894.db2.gz MPZCWHNWTMAZHF-ZDUSSCGKSA-N -1 1 379.428 0.971 20 10 GCCDMM NS(=O)(=O)c1cnn(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765945440 640684843 /nfs/dbraw/zinc/68/48/43/640684843.db2.gz YMYGYMTZENDVLU-UHFFFAOYSA-N -1 1 389.231 0.315 20 10 GCCDMM COc1ccc(N2CCN(CC[N-]S(=O)(=O)N=S(C)(C)=O)CC2)cc1 ZINC000866779171 641330767 /nfs/dbraw/zinc/33/07/67/641330767.db2.gz JMUIQWKNIRUFLR-UHFFFAOYSA-N -1 1 390.531 0.379 20 10 GCCDMM CC(C)CN1C(=O)C(=CNNc2cc(Br)ncn2)C(=O)[N-]C1=S ZINC000871596709 641456066 /nfs/dbraw/zinc/45/60/66/641456066.db2.gz BLGKMVMVBPABLE-XBXARRHUSA-N -1 1 399.274 0.939 20 10 GCCDMM Cc1cnn(C)c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000794762354 641496968 /nfs/dbraw/zinc/49/69/68/641496968.db2.gz LHAGUNWUVVWLID-UHFFFAOYSA-N -1 1 388.427 0.599 20 10 GCCDMM COc1c([O-])c(CN2CCN(C(=O)C(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278316729 1186885326 /nfs/dbraw/zinc/88/53/26/1186885326.db2.gz XLJJURCPWYQZNG-UHFFFAOYSA-N -1 1 380.401 0.478 20 10 GCCDMM O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CC(O)C1 ZINC000760178820 1197200736 /nfs/dbraw/zinc/20/07/36/1197200736.db2.gz WMUBCPMBNHITQQ-UHFFFAOYSA-N -1 1 393.377 0.918 20 10 GCCDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727850865 1201373510 /nfs/dbraw/zinc/37/35/10/1201373510.db2.gz BJIWLDRWMATIHU-UHFFFAOYSA-N -1 1 376.388 0.219 20 10 GCCDMM COC[C@H](C)NC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771058439 1202122712 /nfs/dbraw/zinc/12/27/12/1202122712.db2.gz LKPJPFSBOMTQCX-VIFPVBQESA-N -1 1 384.414 0.507 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3(CCO)COC3)cc12 ZINC001184362814 1205908124 /nfs/dbraw/zinc/90/81/24/1205908124.db2.gz WFQQFSLEXKUMJH-UHFFFAOYSA-N -1 1 376.409 0.506 20 10 GCCDMM O=C(CNC(=O)c1cccc(N2CCCNC(=O)C2)n1)c1ccc([O-])c(O)c1 ZINC001185621852 1205927121 /nfs/dbraw/zinc/92/71/21/1205927121.db2.gz BVHHZNBJCOLSLO-UHFFFAOYSA-N -1 1 384.392 0.432 20 10 GCCDMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001594891444 954530975 /nfs/dbraw/zinc/53/09/75/954530975.db2.gz VUPRHVVOMPJBQG-RNCFNFMXSA-N -1 1 390.314 0.763 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CCSC[C@H]3C(=O)[O-])CC2)cc1 ZINC000851705693 979570350 /nfs/dbraw/zinc/57/03/50/979570350.db2.gz SIZGHUIVNSOQDX-WMZOPIPTSA-N -1 1 395.525 0.680 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CC(F)(F)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000903613948 980993398 /nfs/dbraw/zinc/99/33/98/980993398.db2.gz HULBQLBITSICKC-RDJZCZTQSA-N -1 1 399.438 0.972 20 10 GCCDMM COc1cc(N2CCN(CCC(=O)NCC(=O)[O-])CC2)cc(OC)c1OC ZINC001599427425 997699971 /nfs/dbraw/zinc/69/99/71/997699971.db2.gz RJOORMSGWHDTGW-UHFFFAOYSA-N -1 1 381.429 0.425 20 10 GCCDMM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1c(F)ccc(O)c1[O-] ZINC000295032475 530568073 /nfs/dbraw/zinc/56/80/73/530568073.db2.gz IMMHCJTTZYAIPU-SNVBAGLBSA-N -1 1 376.406 0.455 20 10 GCCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000737742802 598346884 /nfs/dbraw/zinc/34/68/84/598346884.db2.gz HCMKLHWPNZIHCI-CYBMUJFWSA-N -1 1 379.428 0.971 20 10 GCCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000737742802 598346886 /nfs/dbraw/zinc/34/68/86/598346886.db2.gz HCMKLHWPNZIHCI-CYBMUJFWSA-N -1 1 379.428 0.971 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2F)CC1 ZINC000737121496 600032193 /nfs/dbraw/zinc/03/21/93/600032193.db2.gz AQKMBXOEBQCMCN-QGZVFWFLSA-N -1 1 394.447 0.963 20 10 GCCDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000827374012 601121876 /nfs/dbraw/zinc/12/18/76/601121876.db2.gz CXRQXCWLWPCCIR-LLVKDONJSA-N -1 1 385.442 0.385 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)NC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000829424384 604567077 /nfs/dbraw/zinc/56/70/77/604567077.db2.gz PCBXTUGWODVVEM-UHFFFAOYSA-N -1 1 391.472 0.869 20 10 GCCDMM COc1ccc(N2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821831506 607209627 /nfs/dbraw/zinc/20/96/27/607209627.db2.gz BOKJMSCYKFFQBA-UHFFFAOYSA-N -1 1 383.416 0.206 20 10 GCCDMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000820333862 607210917 /nfs/dbraw/zinc/21/09/17/607210917.db2.gz HPEKSDFTVQAPFP-GFCCVEGCSA-N -1 1 383.416 0.172 20 10 GCCDMM CCS(=O)(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764777089 640654212 /nfs/dbraw/zinc/65/42/12/640654212.db2.gz AUQAKCDETAHFHA-UHFFFAOYSA-N -1 1 380.264 0.893 20 10 GCCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000765751289 640679744 /nfs/dbraw/zinc/67/97/44/640679744.db2.gz DNMFTOLXIMOBCZ-LLVKDONJSA-N -1 1 391.287 0.890 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000769587737 640777414 /nfs/dbraw/zinc/77/74/14/640777414.db2.gz YOLLPPXJYJGLSD-UHFFFAOYSA-N -1 1 385.423 0.663 20 10 GCCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)sc1S(N)(=O)=O ZINC000784068254 641278562 /nfs/dbraw/zinc/27/85/62/641278562.db2.gz CIVOYGIQKYLABX-UHFFFAOYSA-N -1 1 387.391 0.855 20 10 GCCDMM CS(=O)(=O)N1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000845423561 642439595 /nfs/dbraw/zinc/43/95/95/642439595.db2.gz UVHRWRHIMZRVKW-SNVBAGLBSA-N -1 1 392.275 0.988 20 10 GCCDMM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276773099 1186041224 /nfs/dbraw/zinc/04/12/24/1186041224.db2.gz YMWMDEQONKGGRH-UHFFFAOYSA-N -1 1 399.400 0.988 20 10 GCCDMM CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000741144136 1201761051 /nfs/dbraw/zinc/76/10/51/1201761051.db2.gz GEURBKNUEZGGGR-UHFFFAOYSA-N -1 1 380.426 0.039 20 10 GCCDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000788646976 1205426626 /nfs/dbraw/zinc/42/66/26/1205426626.db2.gz KJERFYVHYBSGSO-UHFFFAOYSA-N -1 1 378.360 0.802 20 10 GCCDMM O=C(CNc1ccc(CN2CCNC2=N[N+](=O)[O-])cn1)c1ccc([O-])c(O)c1 ZINC001170313858 1205490478 /nfs/dbraw/zinc/49/04/78/1205490478.db2.gz FNYZEXTWVDADAN-UHFFFAOYSA-N -1 1 386.368 0.741 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)C(=O)[N-]OCCOC)cc2F)CC1 ZINC000805007793 1205531384 /nfs/dbraw/zinc/53/13/84/1205531384.db2.gz ZRIRUNSKDLEQSI-UHFFFAOYSA-N -1 1 382.436 0.278 20 10 GCCDMM Cn1c(C(=O)NCc2cccc(Cl)c2[O-])cc2c1n(C)c(=O)n(C)c2=O ZINC001180410884 1205825092 /nfs/dbraw/zinc/82/50/92/1205825092.db2.gz URTRHUILLDBAOT-UHFFFAOYSA-N -1 1 376.800 0.865 20 10 GCCDMM CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183878076 1205901734 /nfs/dbraw/zinc/90/17/34/1205901734.db2.gz FBURTPZHGWTQRJ-LBPRGKRZSA-N -1 1 380.397 0.633 20 10 GCCDMM CN(CC(=O)NCC(=O)c1ccc([O-])c(O)c1)S(=O)(=O)c1ccccc1 ZINC001184413041 1205909712 /nfs/dbraw/zinc/90/97/12/1205909712.db2.gz MFCXGPLWMCHGAZ-UHFFFAOYSA-N -1 1 378.406 0.717 20 10 GCCDMM O=C(CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])c(O)c1 ZINC001185623888 1205927001 /nfs/dbraw/zinc/92/70/01/1205927001.db2.gz PRTHCLLTNLARDD-UHFFFAOYSA-N -1 1 375.366 0.439 20 10 GCCDMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(N(C)C)cc1 ZINC000775408539 1206045448 /nfs/dbraw/zinc/04/54/48/1206045448.db2.gz ZUKWJAGMBSZUKJ-LLVKDONJSA-N -1 1 394.453 0.600 20 10 GCCDMM COc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821832023 945878039 /nfs/dbraw/zinc/87/80/39/945878039.db2.gz WQMCPOFCNLZFQW-UHFFFAOYSA-N -1 1 383.416 0.963 20 10 GCCDMM COc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821832023 945878051 /nfs/dbraw/zinc/87/80/51/945878051.db2.gz WQMCPOFCNLZFQW-UHFFFAOYSA-N -1 1 383.416 0.963 20 10 GCCDMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001594891441 954531082 /nfs/dbraw/zinc/53/10/82/954531082.db2.gz VUPRHVVOMPJBQG-NOZJJQNGSA-N -1 1 390.314 0.763 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)cc2)CC1 ZINC001604228291 972728352 /nfs/dbraw/zinc/72/83/52/972728352.db2.gz RTKBTDPSVGOJAF-QGZVFWFLSA-N -1 1 388.468 0.378 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](CC(=O)[O-])C3)CC2)cc1 ZINC000846273199 979437832 /nfs/dbraw/zinc/43/78/32/979437832.db2.gz SUNLEHYIXABXTI-IEBWSBKVSA-N -1 1 393.484 0.354 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](CC(=O)[O-])C3)CC2)cc1 ZINC000846273197 979438269 /nfs/dbraw/zinc/43/82/69/979438269.db2.gz SUNLEHYIXABXTI-HKUYNNGSSA-N -1 1 393.484 0.354 20 10 GCCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCSC[C@@H](C(=O)[O-])C1)cc2=O ZINC001596745078 985063201 /nfs/dbraw/zinc/06/32/01/985063201.db2.gz YMZPYONXNUNVBX-JTQLQIEISA-N -1 1 380.426 0.861 20 10 GCCDMM CCOCCS(=O)(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277427217 530332107 /nfs/dbraw/zinc/33/21/07/530332107.db2.gz DJXARSKXIWZDPK-UHFFFAOYSA-N -1 1 395.275 0.727 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826224261 608821418 /nfs/dbraw/zinc/82/14/18/608821418.db2.gz WWJWRIRLEFYZCV-UHFFFAOYSA-N -1 1 390.381 0.902 20 10 GCCDMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(O)c1O ZINC000826282099 609246638 /nfs/dbraw/zinc/24/66/38/609246638.db2.gz YALSZXBNWPNTMY-NSHDSACASA-N -1 1 396.411 0.727 20 10 GCCDMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(O)c1O ZINC000826282099 609246640 /nfs/dbraw/zinc/24/66/40/609246640.db2.gz YALSZXBNWPNTMY-NSHDSACASA-N -1 1 396.411 0.727 20 10 GCCDMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000920974799 639930073 /nfs/dbraw/zinc/93/00/73/639930073.db2.gz USAJEVGNPZZWON-UHFFFAOYSA-N -1 1 380.451 0.298 20 10 GCCDMM CS(=O)(=O)N1CC(CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764804370 640654803 /nfs/dbraw/zinc/65/48/03/640654803.db2.gz JFXJOGDAFUIKNE-UHFFFAOYSA-N -1 1 392.275 0.845 20 10 GCCDMM NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000834476072 642212995 /nfs/dbraw/zinc/21/29/95/642212995.db2.gz MLXGZDBDMUNBLH-SNVBAGLBSA-N -1 1 392.275 0.686 20 10 GCCDMM CN(C)S(=O)(=O)N(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000846016299 642469348 /nfs/dbraw/zinc/46/93/48/642469348.db2.gz SGFSPVBZUSFZLB-UHFFFAOYSA-N -1 1 380.264 0.509 20 10 GCCDMM NS(=O)(=O)CCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000854137971 642816352 /nfs/dbraw/zinc/81/63/52/642816352.db2.gz AXJNXNHVQSLCFH-UHFFFAOYSA-N -1 1 396.263 0.259 20 10 GCCDMM COCCN1C(=S)[N-]C(=O)C(=CNc2ccccc2SCC(N)=O)C1=O ZINC000052529186 1186922008 /nfs/dbraw/zinc/92/20/08/1186922008.db2.gz VNHXTHHIAFUASG-NTMALXAHSA-N -1 1 394.478 0.450 20 10 GCCDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000727852499 1201373442 /nfs/dbraw/zinc/37/34/42/1201373442.db2.gz XLTDBZASUBSGDJ-UHFFFAOYSA-N -1 1 386.452 0.452 20 10 GCCDMM CCCN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000741145584 1201760624 /nfs/dbraw/zinc/76/06/24/1201760624.db2.gz XATXRFQEHAMUET-UHFFFAOYSA-N -1 1 395.437 0.801 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1 ZINC000769643677 1202065548 /nfs/dbraw/zinc/06/55/48/1202065548.db2.gz WRNFIWLLHFMCOO-UHFFFAOYSA-N -1 1 399.450 0.805 20 10 GCCDMM COC[C@@H](C)NC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771058438 1202122520 /nfs/dbraw/zinc/12/25/20/1202122520.db2.gz LKPJPFSBOMTQCX-SECBINFHSA-N -1 1 384.414 0.507 20 10 GCCDMM CCOCCO[N-]C(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000805007516 1205531249 /nfs/dbraw/zinc/53/12/49/1205531249.db2.gz UHJIQZIWLHTFLJ-UHFFFAOYSA-N -1 1 396.463 0.668 20 10 GCCDMM COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)[n-]n1 ZINC001188077688 1205974760 /nfs/dbraw/zinc/97/47/60/1205974760.db2.gz ILISMJHGCJNEBF-UHFFFAOYSA-N -1 1 398.416 0.855 20 10 GCCDMM COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)n[n-]1 ZINC001188077688 1205974761 /nfs/dbraw/zinc/97/47/61/1205974761.db2.gz ILISMJHGCJNEBF-UHFFFAOYSA-N -1 1 398.416 0.855 20 10 GCCDMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(N(C)C)cc1 ZINC000775408540 1206045273 /nfs/dbraw/zinc/04/52/73/1206045273.db2.gz ZUKWJAGMBSZUKJ-NSHDSACASA-N -1 1 394.453 0.600 20 10 GCCDMM CCS(=O)(=O)N(C)c1ccc(NC(=O)C2=S=C(c3nn[n-]n3)C=C2)cc1 ZINC001571310387 946471037 /nfs/dbraw/zinc/47/10/37/946471037.db2.gz DONSHXPCOSUDMY-UHFFFAOYSA-N -1 1 392.466 0.620 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CC(C(=O)[O-])=NO3)cc2F)CC1 ZINC001589744179 950643553 /nfs/dbraw/zinc/64/35/53/950643553.db2.gz DLWQRDQLVRNVTQ-MRXNPFEDSA-N -1 1 378.404 0.813 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CCSC[C@H]3C(=O)[O-])CC2)cc1 ZINC000851705690 979569840 /nfs/dbraw/zinc/56/98/40/979569840.db2.gz SIZGHUIVNSOQDX-AEFFLSMTSA-N -1 1 395.525 0.680 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CC(F)(F)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000903613950 980993353 /nfs/dbraw/zinc/99/33/53/980993353.db2.gz HULBQLBITSICKC-WBVHZDCISA-N -1 1 399.438 0.972 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000903616182 980994015 /nfs/dbraw/zinc/99/40/15/980994015.db2.gz DHCDVGPXABCWRG-ZVZYQTTQSA-N -1 1 381.448 0.675 20 10 GCCDMM CCOC(=O)c1cnn2c1[nH]c(CN1CCSC[C@H](C(=O)[O-])C1)cc2=O ZINC001596745079 985063829 /nfs/dbraw/zinc/06/38/29/985063829.db2.gz YMZPYONXNUNVBX-SNVBAGLBSA-N -1 1 380.426 0.861 20 10 GCCDMM COc1ccc(N2CCN(C(=O)CN3CC[C@@](OC)(C(=O)[O-])C3)CC2)cc1 ZINC001599585081 993601524 /nfs/dbraw/zinc/60/15/24/993601524.db2.gz IUJCCBUFGDYHSF-IBGZPJMESA-N -1 1 377.441 0.519 20 10 GCCDMM COc1ccc(N2CCN(C(=O)CN3CCC([C@H](O)C(=O)[O-])CC3)CC2)cc1 ZINC001599585146 993602757 /nfs/dbraw/zinc/60/27/57/993602757.db2.gz MTJTUWOKHANNFK-IBGZPJMESA-N -1 1 391.468 0.501 20 10 GCCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)CC1 ZINC001598624734 994069085 /nfs/dbraw/zinc/06/90/85/994069085.db2.gz UOGCLPHWYRQXKR-UHFFFAOYSA-N -1 1 378.454 0.943 20 10 GCCDMM O=C(NCCCN1C(=O)CNC1=O)NCc1cccc(Br)c1[O-] ZINC000277412135 530331629 /nfs/dbraw/zinc/33/16/29/530331629.db2.gz KPXASKOXGRUAIK-UHFFFAOYSA-N -1 1 385.218 0.896 20 10 GCCDMM CN(C)c1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)cc1 ZINC000736774805 598815447 /nfs/dbraw/zinc/81/54/47/598815447.db2.gz YNUFKCBJIXYECC-UHFFFAOYSA-N -1 1 396.455 0.499 20 10 GCCDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000822620463 606160041 /nfs/dbraw/zinc/16/00/41/606160041.db2.gz RRYQLCHNFJZOPV-UHFFFAOYSA-N -1 1 383.416 0.759 20 10 GCCDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000822620463 606160043 /nfs/dbraw/zinc/16/00/43/606160043.db2.gz RRYQLCHNFJZOPV-UHFFFAOYSA-N -1 1 383.416 0.759 20 10 GCCDMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(O)c1O ZINC000826282098 609246182 /nfs/dbraw/zinc/24/61/82/609246182.db2.gz YALSZXBNWPNTMY-LLVKDONJSA-N -1 1 396.411 0.727 20 10 GCCDMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(O)c1O ZINC000826282098 609246183 /nfs/dbraw/zinc/24/61/83/609246183.db2.gz YALSZXBNWPNTMY-LLVKDONJSA-N -1 1 396.411 0.727 20 10 GCCDMM CC(C)(NS(C)(=O)=O)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000763358281 640626542 /nfs/dbraw/zinc/62/65/42/640626542.db2.gz KZPNIVDOODCZES-UHFFFAOYSA-N -1 1 390.443 0.598 20 10 GCCDMM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728258 640678275 /nfs/dbraw/zinc/67/82/75/640678275.db2.gz FGIFUWRWIODDBR-ZDUSSCGKSA-N -1 1 398.257 0.898 20 10 GCCDMM CC(C)CN1C(=O)C(=CNNc2cc(Br)ncn2)C(=O)[N-]C1=S ZINC000871596710 641456054 /nfs/dbraw/zinc/45/60/54/641456054.db2.gz BLGKMVMVBPABLE-YWEYNIOJSA-N -1 1 399.274 0.939 20 10 GCCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1 ZINC000797431551 641569136 /nfs/dbraw/zinc/56/91/36/641569136.db2.gz RPVBREXQUNZKDI-UHFFFAOYSA-N -1 1 388.427 0.478 20 10 GCCDMM CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000797431799 641569772 /nfs/dbraw/zinc/56/97/72/641569772.db2.gz YSTJVMILXVWJKT-UHFFFAOYSA-N -1 1 389.411 0.963 20 10 GCCDMM Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000728015601 642074365 /nfs/dbraw/zinc/07/43/65/642074365.db2.gz SSTDQOINALWORJ-UHFFFAOYSA-N -1 1 388.427 0.897 20 10 GCCDMM CS(=O)(=O)N1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000845423560 642439640 /nfs/dbraw/zinc/43/96/40/642439640.db2.gz UVHRWRHIMZRVKW-JTQLQIEISA-N -1 1 392.275 0.988 20 10 GCCDMM Cc1nn(CCS(=O)(=O)NCc2cccc(Br)c2[O-])c(=O)o1 ZINC001211746767 1192923371 /nfs/dbraw/zinc/92/33/71/1192923371.db2.gz WFLLRZAVBQTOOL-UHFFFAOYSA-N -1 1 392.231 0.732 20 10 GCCDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000727852008 1201373530 /nfs/dbraw/zinc/37/35/30/1201373530.db2.gz POXQDEZNGTTYPI-UHFFFAOYSA-N -1 1 390.415 0.343 20 10 GCCDMM COCCN1C(=O)C(=CNCCc2ccc3c(c2)OCO3)C(=O)[N-]C1=S ZINC000730979595 1201468547 /nfs/dbraw/zinc/46/85/47/1201468547.db2.gz YWAACANPHGTHQK-FMIVXFBMSA-N -1 1 377.422 0.321 20 10 GCCDMM COCCCNC(=O)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771058580 1202122550 /nfs/dbraw/zinc/12/25/50/1202122550.db2.gz PYXAVSRNZIWFNV-UHFFFAOYSA-N -1 1 384.414 0.509 20 10 GCCDMM COCCN1C(=O)C(=CNc2cc(C)nn2-c2ccccn2)C(=O)[N-]C1=S ZINC000814316069 1205689544 /nfs/dbraw/zinc/68/95/44/1205689544.db2.gz XWEJYWGKTHKXNB-ZRDIBKRKSA-N -1 1 386.437 0.761 20 10 GCCDMM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181047028 1205837918 /nfs/dbraw/zinc/83/79/18/1205837918.db2.gz XFUYLRGBMGEBSC-CQSZACIVSA-N -1 1 396.396 0.853 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@H](O)[C@H](CO)C3)cc12 ZINC001184357191 1205907795 /nfs/dbraw/zinc/90/77/95/1205907795.db2.gz UPGCNQMBEMTMCD-GOEBONIOSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@H](CO)[C@H](O)C3)cc12 ZINC001184357011 1205907821 /nfs/dbraw/zinc/90/78/21/1205907821.db2.gz QRZYGMDKHVYBQF-SUMWQHHRSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@H](CO)[C@@H](O)C3)cc12 ZINC001184357009 1205907947 /nfs/dbraw/zinc/90/79/47/1205907947.db2.gz QRZYGMDKHVYBQF-GUYCJALGSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3CC(=O)N(C)C3)cc12 ZINC001184362165 1205908216 /nfs/dbraw/zinc/90/82/16/1205908216.db2.gz NJLVCZZQPZOLLA-ZDUSSCGKSA-N -1 1 387.436 0.833 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CNC(=O)C3(C)C)cc12 ZINC001184359808 1205908259 /nfs/dbraw/zinc/90/82/59/1205908259.db2.gz LTAAIOWYLANCDI-MRXNPFEDSA-N -1 1 387.436 0.880 20 10 GCCDMM CCOC(=O)c1cnn(CC(=O)NCc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000825565307 947224967 /nfs/dbraw/zinc/22/49/67/947224967.db2.gz QNYLNZWJWUULSG-UHFFFAOYSA-N -1 1 398.427 0.622 20 10 GCCDMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001594891458 954531381 /nfs/dbraw/zinc/53/13/81/954531381.db2.gz VUPRHVVOMPJBQG-ZANVPECISA-N -1 1 390.314 0.763 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)NCCOCC(=O)[O-])cc2F)CC1 ZINC000874392391 980175197 /nfs/dbraw/zinc/17/51/97/980175197.db2.gz VVCMXFQFJDLFRG-UHFFFAOYSA-N -1 1 382.436 0.868 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2)CC1 ZINC001598622747 994032150 /nfs/dbraw/zinc/03/21/50/994032150.db2.gz XSLKRKPRHVUJCU-QGZVFWFLSA-N -1 1 376.457 0.824 20 10 GCCDMM CO[C@@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001599076548 996882420 /nfs/dbraw/zinc/88/24/20/996882420.db2.gz OZODLUZGVVHKGQ-IBGZPJMESA-N -1 1 395.431 0.454 20 10 GCCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000736779877 598270641 /nfs/dbraw/zinc/27/06/41/598270641.db2.gz MWYTXBOZXPYGTN-UHFFFAOYSA-N -1 1 377.405 0.945 20 10 GCCDMM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000736779877 598270644 /nfs/dbraw/zinc/27/06/44/598270644.db2.gz MWYTXBOZXPYGTN-UHFFFAOYSA-N -1 1 377.405 0.945 20 10 GCCDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2O)c1-c1nn[n-]n1 ZINC000826500346 607626214 /nfs/dbraw/zinc/62/62/14/607626214.db2.gz VCZGCEHJZCNELK-UHFFFAOYSA-N -1 1 376.354 0.959 20 10 GCCDMM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C1=S=C(c2nn[n-]n2)C=C1 ZINC000821927473 607143916 /nfs/dbraw/zinc/14/39/16/607143916.db2.gz YWMVRZYQXOMXCJ-UHFFFAOYSA-N -1 1 381.414 0.518 20 10 GCCDMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(N2CCOCC2)cc1 ZINC000820333863 607211018 /nfs/dbraw/zinc/21/10/18/607211018.db2.gz HPEKSDFTVQAPFP-LBPRGKRZSA-N -1 1 383.416 0.172 20 10 GCCDMM COC(=O)CCN(C)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200488 640691881 /nfs/dbraw/zinc/69/18/81/640691881.db2.gz LWOYQZVWRLTCLH-UHFFFAOYSA-N -1 1 381.248 0.984 20 10 GCCDMM CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000821146655 641979443 /nfs/dbraw/zinc/97/94/43/641979443.db2.gz KFSJZYIAIANGJQ-MNOVXSKESA-N -1 1 393.259 0.766 20 10 GCCDMM COCCN1C(=O)C(=CNc2cccc(N3CCCC3=O)c2)C(=O)[N-]C1=S ZINC000052536798 1186926628 /nfs/dbraw/zinc/92/66/28/1186926628.db2.gz ZGDWAWQTWUZUBW-KAMYIIQDSA-N -1 1 388.449 0.999 20 10 GCCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc3c2COC3=O)ccc1[O-] ZINC000790406224 1205463698 /nfs/dbraw/zinc/46/36/98/1205463698.db2.gz FAVSCVJZNCVFRY-UHFFFAOYSA-N -1 1 398.418 0.772 20 10 GCCDMM COCCN1C(=O)C(=CNc2ccnn2Cc2ccccn2)C(=O)[N-]C1=S ZINC000814318191 1205689671 /nfs/dbraw/zinc/68/96/71/1205689671.db2.gz DXVLCUBIBVHGLG-JLHYYAGUSA-N -1 1 386.437 0.512 20 10 GCCDMM NS(=O)(=O)c1ccc(CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001180379459 1205822723 /nfs/dbraw/zinc/82/27/23/1205822723.db2.gz CHXNPUUVLDZDHF-UHFFFAOYSA-N -1 1 378.406 0.677 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@H]3CCC(=O)N(C)C3)cc12 ZINC001184361588 1205908022 /nfs/dbraw/zinc/90/80/22/1205908022.db2.gz JJEYNWBLWYFOLS-AWEZNQCLSA-N -1 1 387.436 0.976 20 10 GCCDMM CC(=O)N1C[C@@H]2C[C@]2(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184362369 1205908180 /nfs/dbraw/zinc/90/81/80/1205908180.db2.gz ROTOFAOLLXKQGV-BTYIYWSLSA-N -1 1 399.447 0.976 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N[C@@H]3CCC(=O)N(C)C3)cc12 ZINC001184361589 1205908264 /nfs/dbraw/zinc/90/82/64/1205908264.db2.gz JJEYNWBLWYFOLS-CQSZACIVSA-N -1 1 387.436 0.976 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3(CO)CCOCC3)cc12 ZINC001184361590 1205908278 /nfs/dbraw/zinc/90/82/78/1205908278.db2.gz JJQYFXWRSJDEMH-UHFFFAOYSA-N -1 1 390.436 0.897 20 10 GCCDMM C[C@]1(C(=O)NCCC2=CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575593531 950316676 /nfs/dbraw/zinc/31/66/76/950316676.db2.gz HHBZRKHNHKRPNL-SFHVURJKSA-N -1 1 384.444 0.726 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)cc2F)CC1 ZINC001589744178 950642041 /nfs/dbraw/zinc/64/20/41/950642041.db2.gz DLWQRDQLVRNVTQ-INIZCTEOSA-N -1 1 378.404 0.813 20 10 GCCDMM O=C([O-])C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCOCC1 ZINC001594696872 956776662 /nfs/dbraw/zinc/77/66/62/956776662.db2.gz ATIJHECUQSODQR-UHFFFAOYSA-N -1 1 395.431 0.502 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CCSC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000851705691 979570255 /nfs/dbraw/zinc/57/02/55/979570255.db2.gz SIZGHUIVNSOQDX-FUHWJXTLSA-N -1 1 395.525 0.680 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CC(F)(F)C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001599585066 993601744 /nfs/dbraw/zinc/60/17/44/993601744.db2.gz HULBQLBITSICKC-NVXWUHKLSA-N -1 1 399.438 0.972 20 10 GCCDMM COc1ccc(N2CCN(C(=O)CN3CCC([C@@H](O)C(=O)[O-])CC3)CC2)cc1 ZINC001599585147 993602348 /nfs/dbraw/zinc/60/23/48/993602348.db2.gz MTJTUWOKHANNFK-LJQANCHMSA-N -1 1 391.468 0.501 20 10 GCCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000267047713 530207486 /nfs/dbraw/zinc/20/74/86/530207486.db2.gz JBJKUYSJRMQBPW-CYBMUJFWSA-N -1 1 388.873 0.983 20 10 GCCDMM O=C(NCCN1CCCS1(=O)=O)NCc1cccc(Br)c1[O-] ZINC000277305038 530330939 /nfs/dbraw/zinc/33/09/39/530330939.db2.gz CHNSHUXDDWKDDF-UHFFFAOYSA-N -1 1 392.275 0.989 20 10 GCCDMM CC(C)CN1C(=O)C(=CNc2cccc(S(N)(=O)=O)c2)C(=O)[N-]C1=S ZINC000060861099 530784447 /nfs/dbraw/zinc/78/44/47/530784447.db2.gz VMSMJXWUKFVJPN-GHXNOFRVSA-N -1 1 382.467 0.529 20 10 GCCDMM CC(C)(C)NS(=O)(=O)c1cccc(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000060865539 530784771 /nfs/dbraw/zinc/78/47/71/530784771.db2.gz HMENKWRVRBVASK-UHFFFAOYSA-N -1 1 382.467 0.590 20 10 GCCDMM O=C(NC1=S=CC=C1c1nn[n-]n1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000823387122 599696187 /nfs/dbraw/zinc/69/61/87/599696187.db2.gz CVDUSACYTIJMFU-UHFFFAOYSA-N -1 1 390.450 0.232 20 10 GCCDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000826425311 607751372 /nfs/dbraw/zinc/75/13/72/607751372.db2.gz XVTNDVIOOLXNIZ-UHFFFAOYSA-N -1 1 380.368 0.986 20 10 GCCDMM CN(C)c1nnc(-c2ccc(NC(=O)C3=S=C(c4nn[n-]n4)C=C3)cc2)o1 ZINC000825887330 608100318 /nfs/dbraw/zinc/10/03/18/608100318.db2.gz FXMPPBVINDGCPF-UHFFFAOYSA-N -1 1 382.409 0.950 20 10 GCCDMM Cc1cc(Br)c([O-])c(CN2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000897279491 639100251 /nfs/dbraw/zinc/10/02/51/639100251.db2.gz RBXMJHHFFRZUNN-NSHDSACASA-N -1 1 376.276 0.797 20 10 GCCDMM CO[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCS(=O)(=O)C1 ZINC000897576489 639193336 /nfs/dbraw/zinc/19/33/36/639193336.db2.gz KAMVQENGBVQMQQ-CYBMUJFWSA-N -1 1 378.244 0.975 20 10 GCCDMM CS(=O)(=O)NCCNC(=S)NCc1cccc(Br)c1[O-] ZINC000765975745 640686397 /nfs/dbraw/zinc/68/63/97/640686397.db2.gz JBUUQOHEBBIGPU-UHFFFAOYSA-N -1 1 382.305 0.668 20 10 GCCDMM CCn1nccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000769873320 640788347 /nfs/dbraw/zinc/78/83/47/640788347.db2.gz RMIZZJDGFMQNIQ-UHFFFAOYSA-N -1 1 388.427 0.774 20 10 GCCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000809733847 641711609 /nfs/dbraw/zinc/71/16/09/641711609.db2.gz KXZFIXVGDUYUHN-UHFFFAOYSA-N -1 1 395.261 0.794 20 10 GCCDMM CCn1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)cn1 ZINC000728015247 642074565 /nfs/dbraw/zinc/07/45/65/642074565.db2.gz NFVWFTWTLOHQEJ-UHFFFAOYSA-N -1 1 388.427 0.774 20 10 GCCDMM NS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000834476071 642212970 /nfs/dbraw/zinc/21/29/70/642212970.db2.gz MLXGZDBDMUNBLH-JTQLQIEISA-N -1 1 392.275 0.686 20 10 GCCDMM CN1CCO[C@H](CS(=O)(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867194679 642256395 /nfs/dbraw/zinc/25/63/95/642256395.db2.gz CCTPXKUWOVWNBO-NSHDSACASA-N -1 1 379.276 0.905 20 10 GCCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F ZINC000066902818 1192174841 /nfs/dbraw/zinc/17/48/41/1192174841.db2.gz OHEAEHVNKQQGQH-UHFFFAOYSA-N -1 1 398.460 0.548 20 10 GCCDMM COCCNC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278147597 1186802698 /nfs/dbraw/zinc/80/26/98/1186802698.db2.gz BVVXIVPRWFPAMZ-UHFFFAOYSA-N -1 1 382.417 0.189 20 10 GCCDMM CNC(=O)Cn1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000768547111 1202024174 /nfs/dbraw/zinc/02/41/74/1202024174.db2.gz PEFOWLFBQKYELN-UHFFFAOYSA-N -1 1 381.414 0.267 20 10 GCCDMM Cn1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(=O)[nH]c1=O ZINC000771187573 1202129392 /nfs/dbraw/zinc/12/93/92/1202129392.db2.gz LTHKXGPAANCBBQ-UHFFFAOYSA-N -1 1 379.354 0.280 20 10 GCCDMM COC(=O)c1cnc(NCC(=O)c2ccc([O-])c(O)c2)c(S(N)(=O)=O)c1 ZINC001170316398 1205490923 /nfs/dbraw/zinc/49/09/23/1205490923.db2.gz PJFDZBLRNRERQZ-UHFFFAOYSA-N -1 1 381.366 0.222 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@@H]3COCCN3C)cc12 ZINC001184361595 1205908196 /nfs/dbraw/zinc/90/81/96/1205908196.db2.gz XKWBDUTWBRAHKL-OAHLLOKOSA-N -1 1 389.452 0.686 20 10 GCCDMM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1CCC(=O)[O-] ZINC001594489230 985589987 /nfs/dbraw/zinc/58/99/87/985589987.db2.gz OKTWXDRHYOCNKR-NSHDSACASA-N -1 1 385.442 0.385 20 10 GCCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CCS(N)(=O)=O)CC2)c1[O-] ZINC000267903122 530218066 /nfs/dbraw/zinc/21/80/66/530218066.db2.gz CGPDITHDIWCMRR-UHFFFAOYSA-N -1 1 375.878 0.654 20 10 GCCDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCSc2nccs2)n(C)c1=O ZINC000737595062 598896498 /nfs/dbraw/zinc/89/64/98/598896498.db2.gz DWZIACDUPSESRC-UHFFFAOYSA-N -1 1 380.459 0.315 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2F)CC1 ZINC000737121495 600032221 /nfs/dbraw/zinc/03/22/21/600032221.db2.gz AQKMBXOEBQCMCN-KRWDZBQOSA-N -1 1 394.447 0.963 20 10 GCCDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000827374014 601121879 /nfs/dbraw/zinc/12/18/79/601121879.db2.gz CXRQXCWLWPCCIR-NSHDSACASA-N -1 1 385.442 0.385 20 10 GCCDMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826424868 608890949 /nfs/dbraw/zinc/89/09/49/608890949.db2.gz HAMCUMDFCJOLOI-UHFFFAOYSA-N -1 1 386.391 0.355 20 10 GCCDMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826424868 608890950 /nfs/dbraw/zinc/89/09/50/608890950.db2.gz HAMCUMDFCJOLOI-UHFFFAOYSA-N -1 1 386.391 0.355 20 10 GCCDMM CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)cc1 ZINC000917126854 639843308 /nfs/dbraw/zinc/84/33/08/639843308.db2.gz CEOYRMDQKHJNAM-UHFFFAOYSA-N -1 1 377.451 0.981 20 10 GCCDMM CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)cc1 ZINC000917126854 639843310 /nfs/dbraw/zinc/84/33/10/639843310.db2.gz CEOYRMDQKHJNAM-UHFFFAOYSA-N -1 1 377.451 0.981 20 10 GCCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000917752110 639857938 /nfs/dbraw/zinc/85/79/38/639857938.db2.gz SBXUGMMENAWKFG-UHFFFAOYSA-N -1 1 386.455 0.686 20 10 GCCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1C ZINC000745976591 640286206 /nfs/dbraw/zinc/28/62/06/640286206.db2.gz HECAMZXSGGCEGK-UHFFFAOYSA-N -1 1 387.439 0.984 20 10 GCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000769568975 640775779 /nfs/dbraw/zinc/77/57/79/640775779.db2.gz CQOQHRZKBKDFGN-UHFFFAOYSA-N -1 1 385.423 0.663 20 10 GCCDMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1O ZINC000790404595 641413272 /nfs/dbraw/zinc/41/32/72/641413272.db2.gz FOYSVAIIZXZJBJ-UHFFFAOYSA-N -1 1 386.407 0.799 20 10 GCCDMM COc1c([O-])c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000278325965 1186891034 /nfs/dbraw/zinc/89/10/34/1186891034.db2.gz YSEIUIHKAWYREG-CYBMUJFWSA-N -1 1 385.442 0.614 20 10 GCCDMM CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1F ZINC000741144752 1201760817 /nfs/dbraw/zinc/76/08/17/1201760817.db2.gz BHZADVCOTGXPCW-UHFFFAOYSA-N -1 1 398.416 0.178 20 10 GCCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1S(N)(=O)=O ZINC000769618593 1202065850 /nfs/dbraw/zinc/06/58/50/1202065850.db2.gz XECQIIJFWMXQJA-UHFFFAOYSA-N -1 1 399.450 0.972 20 10 GCCDMM O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1c(F)ccc(O)c1[O-] ZINC000790068880 1205455504 /nfs/dbraw/zinc/45/55/04/1205455504.db2.gz HSJNCGXECASDQG-UHFFFAOYSA-N -1 1 387.367 0.739 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CNC(=O)O3)cc12 ZINC001184359284 1205908045 /nfs/dbraw/zinc/90/80/45/1205908045.db2.gz CKIWAHBARMPHFO-LBPRGKRZSA-N -1 1 375.381 0.463 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC[C@H]3CC(=O)N(C)C3)cc12 ZINC001184362164 1205908092 /nfs/dbraw/zinc/90/80/92/1205908092.db2.gz NJLVCZZQPZOLLA-CYBMUJFWSA-N -1 1 387.436 0.833 20 10 GCCDMM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187313961 1205960859 /nfs/dbraw/zinc/96/08/59/1205960859.db2.gz KTKRUEOEDJHTPF-CYBMUJFWSA-N -1 1 393.440 0.948 20 10 GCCDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000825923757 947370240 /nfs/dbraw/zinc/37/02/40/947370240.db2.gz UKZSGWFZSAAGHA-ALCCZGGFSA-N -1 1 384.400 0.688 20 10 GCCDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000825923757 947370253 /nfs/dbraw/zinc/37/02/53/947370253.db2.gz UKZSGWFZSAAGHA-ALCCZGGFSA-N -1 1 384.400 0.688 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)cc1 ZINC001604810084 974048578 /nfs/dbraw/zinc/04/85/78/974048578.db2.gz XGVYGDALZGTUEK-KRWDZBQOSA-N -1 1 390.440 0.553 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC(C(=O)[O-])=NO3)CC2)cc1 ZINC001604810091 974048987 /nfs/dbraw/zinc/04/89/87/974048987.db2.gz XGVYGDALZGTUEK-QGZVFWFLSA-N -1 1 390.440 0.553 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)cc1 ZINC001599585015 993601543 /nfs/dbraw/zinc/60/15/43/993601543.db2.gz CZNKJDBTSAMRLZ-MSOLQXFVSA-N -1 1 391.468 0.956 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CC(F)(F)C[C@@H]3C(=O)[O-])CC2)cc1 ZINC001599585065 993601888 /nfs/dbraw/zinc/60/18/88/993601888.db2.gz HULBQLBITSICKC-DOTOQJQBSA-N -1 1 399.438 0.972 20 10 GCCDMM COc1ccc(N2CCN(C(=O)CN3CCN(CC(=O)[O-])CC3)CC2)cc1 ZINC001599585687 993609876 /nfs/dbraw/zinc/60/98/76/993609876.db2.gz WHSXNFVOKPKRRW-UHFFFAOYSA-N -1 1 376.457 0.046 20 10 GCCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000267048691 530207455 /nfs/dbraw/zinc/20/74/55/530207455.db2.gz JBJKUYSJRMQBPW-ZDUSSCGKSA-N -1 1 388.873 0.983 20 10 GCCDMM CC(C)CN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)[N-]C1=S ZINC000299269956 530177556 /nfs/dbraw/zinc/17/75/56/530177556.db2.gz SAQHDCRGYRQXDD-GHXNOFRVSA-N -1 1 382.467 0.529 20 10 GCCDMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000060861411 530784644 /nfs/dbraw/zinc/78/46/44/530784644.db2.gz KQTPNFVHQVBRCU-UHFFFAOYSA-N -1 1 380.451 0.298 20 10 GCCDMM NC(=O)[C@H]1CCCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C1 ZINC000737742803 598347095 /nfs/dbraw/zinc/34/70/95/598347095.db2.gz HCMKLHWPNZIHCI-ZDUSSCGKSA-N -1 1 379.428 0.971 20 10 GCCDMM NC(=O)[C@H]1CCCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C1 ZINC000737742803 598347097 /nfs/dbraw/zinc/34/70/97/598347097.db2.gz HCMKLHWPNZIHCI-ZDUSSCGKSA-N -1 1 379.428 0.971 20 10 GCCDMM CCC1=C(c2nn[n-]n2)C(NC(=O)c2ccc(CS(C)(=O)=O)o2)=S=C1C ZINC000736675228 598515889 /nfs/dbraw/zinc/51/58/89/598515889.db2.gz HAZPGZHUKIRTTG-UHFFFAOYSA-N -1 1 395.466 1.000 20 10 GCCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C1 ZINC000826389965 608401756 /nfs/dbraw/zinc/40/17/56/608401756.db2.gz MPZCWHNWTMAZHF-CYBMUJFWSA-N -1 1 379.428 0.971 20 10 GCCDMM NC(=O)[C@@H]1CCCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C1 ZINC000826389965 608401757 /nfs/dbraw/zinc/40/17/57/608401757.db2.gz MPZCWHNWTMAZHF-CYBMUJFWSA-N -1 1 379.428 0.971 20 10 GCCDMM CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000821146656 641979411 /nfs/dbraw/zinc/97/94/11/641979411.db2.gz KFSJZYIAIANGJQ-QWRGUYRKSA-N -1 1 393.259 0.766 20 10 GCCDMM CC(C)CN1C(=O)C(=CNNc2ncc(Br)cn2)C(=O)[N-]C1=S ZINC000846755934 642497948 /nfs/dbraw/zinc/49/79/48/642497948.db2.gz FRTISYWCLNHDCH-WEVVVXLNSA-N -1 1 399.274 0.939 20 10 GCCDMM COc1c([O-])c(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278259352 1186858805 /nfs/dbraw/zinc/85/88/05/1186858805.db2.gz QILCRTIJXYPIHV-UHFFFAOYSA-N -1 1 392.412 0.576 20 10 GCCDMM COC(=O)CN(CCN1CCOCC1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278272405 1186865793 /nfs/dbraw/zinc/86/57/93/1186865793.db2.gz RWDWPGHZCMANFO-UHFFFAOYSA-N -1 1 383.401 0.616 20 10 GCCDMM COCCN1C(=O)C(=CNC[C@H]2COc3ccccc3C2)C(=O)[N-]C1=S ZINC000730969039 1201468793 /nfs/dbraw/zinc/46/87/93/1201468793.db2.gz CFLLRZRKKYLBMS-LQELWAHVSA-N -1 1 375.450 0.601 20 10 GCCDMM CCn1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(=O)[nH]c1=O ZINC000809501180 1205626329 /nfs/dbraw/zinc/62/63/29/1205626329.db2.gz CRBLYWYHIQHZGN-UHFFFAOYSA-N -1 1 393.381 0.763 20 10 GCCDMM COc1c([O-])c(CN2CCS(=O)(=NS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC001181934755 1205852158 /nfs/dbraw/zinc/85/21/58/1205852158.db2.gz UYNCEEVJUNVYNN-UHFFFAOYSA-N -1 1 393.443 0.552 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000774217647 1205866283 /nfs/dbraw/zinc/86/62/83/1205866283.db2.gz OKWNBPFOSXTPCU-SECBINFHSA-N -1 1 382.398 0.872 20 10 GCCDMM COc1c([O-])c(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000774840476 1205917551 /nfs/dbraw/zinc/91/75/51/1205917551.db2.gz NETCVZDJSFDMBI-NSHDSACASA-N -1 1 387.414 0.044 20 10 GCCDMM COc1c([O-])c(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000774840474 1205917733 /nfs/dbraw/zinc/91/77/33/1205917733.db2.gz NETCVZDJSFDMBI-LLVKDONJSA-N -1 1 387.414 0.044 20 10 GCCDMM Nc1nc2c(ncn2CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c(Cl)n1 ZINC001185909863 1205932027 /nfs/dbraw/zinc/93/20/27/1205932027.db2.gz CMAWTUIQBJZGME-UHFFFAOYSA-N -1 1 376.760 0.472 20 10 GCCDMM Cn1nc(C(=O)[O-])cc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001594572357 955906042 /nfs/dbraw/zinc/90/60/42/955906042.db2.gz WMYRHQWCKGNRHJ-UHFFFAOYSA-N -1 1 378.454 0.643 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CCSC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000851705692 979569950 /nfs/dbraw/zinc/56/99/50/979569950.db2.gz SIZGHUIVNSOQDX-SJLPKXTDSA-N -1 1 395.525 0.680 20 10 GCCDMM CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)N(C)C)cc1 ZINC001598314284 991295027 /nfs/dbraw/zinc/29/50/27/991295027.db2.gz LIYYRYMFDCDNNY-CQSZACIVSA-N -1 1 381.458 0.755 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)cc2)CC1 ZINC001598622441 994025165 /nfs/dbraw/zinc/02/51/65/994025165.db2.gz JYPCIVJTBQPAPM-RDJZCZTQSA-N -1 1 376.457 0.415 20 10 GCCDMM CCN1CCN(c2ccc(CNC(=O)Cn3cc(C(=O)[O-])nn3)cc2F)CC1 ZINC000829781246 601283714 /nfs/dbraw/zinc/28/37/14/601283714.db2.gz SDOCQNDDCFKVKQ-UHFFFAOYSA-N -1 1 390.419 0.574 20 10 GCCDMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1=S=C(c2nn[n-]n2)C=C1 ZINC000823350355 606500928 /nfs/dbraw/zinc/50/09/28/606500928.db2.gz KGJQPKJXNOCUTL-UHFFFAOYSA-N -1 1 390.450 0.374 20 10 GCCDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(N2CCSCC2)cc1 ZINC000823132051 607209306 /nfs/dbraw/zinc/20/93/06/607209306.db2.gz XFGODWVNOOUNOU-UHFFFAOYSA-N -1 1 385.457 0.328 20 10 GCCDMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1C ZINC000914689019 639742015 /nfs/dbraw/zinc/74/20/15/639742015.db2.gz YOSXZANBUCVWMV-UHFFFAOYSA-N -1 1 386.455 0.557 20 10 GCCDMM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)cc1 ZINC000917128249 639843515 /nfs/dbraw/zinc/84/35/15/639843515.db2.gz WWGMSKGVXHOSSY-UHFFFAOYSA-N -1 1 377.451 0.933 20 10 GCCDMM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)cc1 ZINC000917128249 639843518 /nfs/dbraw/zinc/84/35/18/639843518.db2.gz WWGMSKGVXHOSSY-UHFFFAOYSA-N -1 1 377.451 0.933 20 10 GCCDMM NC(=O)c1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765926614 640684266 /nfs/dbraw/zinc/68/42/66/640684266.db2.gz NMQMDGBFUDTXAQ-UHFFFAOYSA-N -1 1 393.197 0.904 20 10 GCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000890757947 1184599807 /nfs/dbraw/zinc/59/98/07/1184599807.db2.gz NWBJGDAODLUSAY-CQSZACIVSA-N -1 1 381.860 0.843 20 10 GCCDMM CN(C)S(=O)(=O)N1C[C@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H](C1)O2 ZINC001279108684 1185779177 /nfs/dbraw/zinc/77/91/77/1185779177.db2.gz VIPVDIKCVBWGRF-TXEJJXNPSA-N -1 1 377.413 0.362 20 10 GCCDMM COc1c([O-])c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000278325972 1186891109 /nfs/dbraw/zinc/89/11/09/1186891109.db2.gz YSEIUIHKAWYREG-ZDUSSCGKSA-N -1 1 385.442 0.614 20 10 GCCDMM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000741145237 1201760616 /nfs/dbraw/zinc/76/06/16/1201760616.db2.gz QBOLRPQUIFOZHA-VIFPVBQESA-N -1 1 397.409 0.248 20 10 GCCDMM COC(=O)C(C(=O)OC)c1cncc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316900 1205490784 /nfs/dbraw/zinc/49/07/84/1205490784.db2.gz UPQCAPATJIQFPB-UHFFFAOYSA-N -1 1 375.337 0.612 20 10 GCCDMM Cn1[n-]cc2c(=NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)ccnc1-2 ZINC000806913454 1205569914 /nfs/dbraw/zinc/56/99/14/1205569914.db2.gz WVHASWGGHKNCEJ-UHFFFAOYSA-N -1 1 376.420 0.973 20 10 GCCDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000809811135 1205629729 /nfs/dbraw/zinc/62/97/29/1205629729.db2.gz YHYAYSHSZPIEJP-ZDUSSCGKSA-N -1 1 393.469 0.745 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCC(C)(C)C(N)=O)cc12 ZINC001184361889 1205907995 /nfs/dbraw/zinc/90/79/95/1205907995.db2.gz LPYFUKNSTYTAHV-UHFFFAOYSA-N -1 1 375.425 0.867 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCN(C(N)=O)CC3)cc12 ZINC001184359439 1205908189 /nfs/dbraw/zinc/90/81/89/1205908189.db2.gz OLYWEKJWQXHQBM-UHFFFAOYSA-N -1 1 388.424 0.462 20 10 GCCDMM O=C(CNS(=O)(=O)c1ccc(N2CCOCC2)nc1)c1ccc([O-])c(O)c1 ZINC001188546478 1205986884 /nfs/dbraw/zinc/98/68/84/1205986884.db2.gz DBIDMJVIEJBBAL-UHFFFAOYSA-N -1 1 393.421 0.491 20 10 GCCDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000825923758 947372570 /nfs/dbraw/zinc/37/25/70/947372570.db2.gz UKZSGWFZSAAGHA-FNORWQNLSA-N -1 1 384.400 0.688 20 10 GCCDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC000825923758 947372583 /nfs/dbraw/zinc/37/25/83/947372583.db2.gz UKZSGWFZSAAGHA-FNORWQNLSA-N -1 1 384.400 0.688 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)[C@@](C)(OC)C(=O)[O-])CC2)cc1 ZINC000852953029 955878330 /nfs/dbraw/zinc/87/83/30/955878330.db2.gz ZTWSLHYHGTTXPX-LJQANCHMSA-N -1 1 379.457 0.813 20 10 GCCDMM CN1CCN(c2ccc(CNS(=O)(=O)N3CCC(C(=O)[O-])CC3)cc2)CC1 ZINC001574030607 962009834 /nfs/dbraw/zinc/00/98/34/962009834.db2.gz QPVBDUNDANGMLH-UHFFFAOYSA-N -1 1 396.513 0.569 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](CC(=O)[O-])C3)CC2)cc1 ZINC000846273201 979438550 /nfs/dbraw/zinc/43/85/50/979438550.db2.gz SUNLEHYIXABXTI-MJGOQNOKSA-N -1 1 393.484 0.354 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001599585006 993600587 /nfs/dbraw/zinc/60/05/87/993600587.db2.gz CIBOQUWDNMHKIW-WDYCEAGBSA-N -1 1 393.484 0.352 20 10 GCCDMM COc1ccc([N@@H+]2CC[C@@H](CNS(=O)(=O)c3cc(C(=O)[O-])[n-]n3)C2)cc1 ZINC001599586901 993625307 /nfs/dbraw/zinc/62/53/07/993625307.db2.gz XDGYCMVBCHJYDL-NSHDSACASA-N -1 1 380.426 0.921 20 10 GCCDMM COc1ccc([N@H+]2CC[C@@H](CNS(=O)(=O)c3cc(C(=O)[O-])[n-]n3)C2)cc1 ZINC001599586901 993625311 /nfs/dbraw/zinc/62/53/11/993625311.db2.gz XDGYCMVBCHJYDL-NSHDSACASA-N -1 1 380.426 0.921 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)N3C[C@H](C(=O)[O-])C[C@H](O)C3)cc2)CC1 ZINC001598622442 994025670 /nfs/dbraw/zinc/02/56/70/994025670.db2.gz JYPCIVJTBQPAPM-WBVHZDCISA-N -1 1 376.457 0.415 20 10 GCCDMM COCCCS(=O)(=O)NCC(=O)NCc1cccc(Br)c1[O-] ZINC000277602584 530333303 /nfs/dbraw/zinc/33/33/03/530333303.db2.gz UITFKSXUTGBWLX-UHFFFAOYSA-N -1 1 395.275 0.727 20 10 GCCDMM CN(C)S(=O)(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000291036979 530438500 /nfs/dbraw/zinc/43/85/00/530438500.db2.gz UKGXKCMHXWWEJB-UHFFFAOYSA-N -1 1 380.264 0.845 20 10 GCCDMM CSc1nnc(CCCNC=C2C(=O)[N-]C(=S)NC2=O)n1CC(C)C ZINC000069900875 530527754 /nfs/dbraw/zinc/52/77/54/530527754.db2.gz FDEDTHIEFRFWMS-UHFFFAOYSA-N -1 1 382.515 0.593 20 10 GCCDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2c(O)ccc3c2CCCC3)n(C)c1=O ZINC000822600689 599062805 /nfs/dbraw/zinc/06/28/05/599062805.db2.gz PQHFEDUSWLQDKN-UHFFFAOYSA-N -1 1 383.412 0.461 20 10 GCCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1CCN1CCOCC1 ZINC000823503875 599309810 /nfs/dbraw/zinc/30/98/10/599309810.db2.gz JVHUQYSJJHIUBJ-FMIVXFBMSA-N -1 1 392.466 0.993 20 10 GCCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1CCN1CCOCC1 ZINC000823503875 599309813 /nfs/dbraw/zinc/30/98/13/599309813.db2.gz JVHUQYSJJHIUBJ-FMIVXFBMSA-N -1 1 392.466 0.993 20 10 GCCDMM CC(C)OCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783982204 641278018 /nfs/dbraw/zinc/27/80/18/641278018.db2.gz ULEFOAZJOKBANP-UHFFFAOYSA-N -1 1 375.399 0.168 20 10 GCCDMM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000821146654 641979528 /nfs/dbraw/zinc/97/95/28/641979528.db2.gz KFSJZYIAIANGJQ-GHMZBOCLSA-N -1 1 393.259 0.766 20 10 GCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000890757946 1184599311 /nfs/dbraw/zinc/59/93/11/1184599311.db2.gz NWBJGDAODLUSAY-AWEZNQCLSA-N -1 1 381.860 0.843 20 10 GCCDMM CN(C)c1ccc([C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)N(C)C)cc1 ZINC000891252668 1185182384 /nfs/dbraw/zinc/18/23/84/1185182384.db2.gz MAVDBADKHDFZCW-INIZCTEOSA-N -1 1 383.456 0.556 20 10 GCCDMM CCN(CC)S(=O)(=O)c1ccc(CNC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000052529127 1186921982 /nfs/dbraw/zinc/92/19/82/1186921982.db2.gz CTCMGZAOLWBKTB-UHFFFAOYSA-N -1 1 396.494 0.222 20 10 GCCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000741144444 1201761023 /nfs/dbraw/zinc/76/10/23/1201761023.db2.gz SHVGHJKYAXFTGL-UHFFFAOYSA-N -1 1 394.453 0.381 20 10 GCCDMM COc1ccc(N2CCN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)CC2)c(OC)c1 ZINC001169973485 1201985244 /nfs/dbraw/zinc/98/52/44/1201985244.db2.gz CIFLHUPGDGOQLK-UHFFFAOYSA-N -1 1 390.396 0.876 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@H](CO)[C@@H](O)C3)cc12 ZINC001184357008 1205907849 /nfs/dbraw/zinc/90/78/49/1205907849.db2.gz QRZYGMDKHVYBQF-DYVFJYSZSA-N -1 1 390.436 0.441 20 10 GCCDMM CCN(CCC(N)=O)C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184358967 1205908085 /nfs/dbraw/zinc/90/80/85/1205908085.db2.gz GWJYNIGYIDEJBP-UHFFFAOYSA-N -1 1 375.425 0.963 20 10 GCCDMM COCCC1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCS(=O)(=O)CC1 ZINC001184559965 1205911621 /nfs/dbraw/zinc/91/16/21/1205911621.db2.gz PSBLYSBLKIFPGW-UHFFFAOYSA-N -1 1 385.438 0.628 20 10 GCCDMM CN1CCN(c2ccc(CNC(=O)c3cccn(CC(=O)[O-])c3=O)cc2)CC1 ZINC001334039126 957791452 /nfs/dbraw/zinc/79/14/52/957791452.db2.gz JACXPZMILCZXAF-UHFFFAOYSA-N -1 1 384.436 0.615 20 10 GCCDMM COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](CC(=O)[O-])C3)CC2)cc1 ZINC000846273203 979438131 /nfs/dbraw/zinc/43/81/31/979438131.db2.gz SUNLEHYIXABXTI-PKOBYXMFSA-N -1 1 393.484 0.354 20 10 GCCDMM COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)cc1 ZINC000903616161 980993872 /nfs/dbraw/zinc/99/38/72/980993872.db2.gz DHCDVGPXABCWRG-LESCRADOSA-N -1 1 381.448 0.675 20 10 GCCDMM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1CCC(=O)[O-] ZINC001594489229 985590191 /nfs/dbraw/zinc/59/01/91/985590191.db2.gz OKTWXDRHYOCNKR-LLVKDONJSA-N -1 1 385.442 0.385 20 10 GCCDMM CC(=O)c1cc(F)cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1O ZINC001589271146 985969625 /nfs/dbraw/zinc/96/96/25/985969625.db2.gz PABBSEPTDLSNPJ-AAEUAGOBSA-N -1 1 379.344 0.313 20 10 GCCDMM COc1ccc(N2CCN(CCCNC(=O)NC[C@H](F)C(=O)[O-])CC2)cc1 ZINC001599585760 993611063 /nfs/dbraw/zinc/61/10/63/993611063.db2.gz XJEIVMWTAYCAMT-INIZCTEOSA-N -1 1 382.436 0.929 20 10 GCCDMM Cn1cc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC001598624311 994061965 /nfs/dbraw/zinc/06/19/65/994061965.db2.gz KFJNNHDNKJOSFB-UHFFFAOYSA-N -1 1 392.481 0.954 20 10 GCCDMM CN1CCN(c2ccc(CNS(=O)(=O)c3n[nH]cc3C(=O)[O-])cc2)CC1 ZINC001598624969 994071351 /nfs/dbraw/zinc/07/13/51/994071351.db2.gz VRBWGPFUQOQTMI-UHFFFAOYSA-N -1 1 379.442 0.338 20 10 GCCDMM CCN(Cc1ccc(N(C)C)cc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821222776 607305371 /nfs/dbraw/zinc/30/53/71/607305371.db2.gz ZHTJWRHARIHOQN-UHFFFAOYSA-N -1 1 384.444 0.357 20 10 GCCDMM Cn1cc(S(=O)(=O)[N-]CCCSc2nccs2)c(=O)n(C)c1=O ZINC000733899908 639988630 /nfs/dbraw/zinc/98/86/30/639988630.db2.gz QPYZVXYEIKXYDQ-UHFFFAOYSA-N -1 1 376.485 0.001 20 10 GCCDMM CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774925206 640900372 /nfs/dbraw/zinc/90/03/72/640900372.db2.gz JIDOYCPOHYBIAZ-UHFFFAOYSA-N -1 1 384.332 0.989 20 10 GCCDMM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000797431558 641569720 /nfs/dbraw/zinc/56/97/20/641569720.db2.gz RRZZDJTZUPFSSC-UHFFFAOYSA-N -1 1 384.439 0.462 20 10 GCCDMM CC(C)CN1C(=O)C(=CNNc2ncc(Br)cn2)C(=O)[N-]C1=S ZINC000846755932 642497810 /nfs/dbraw/zinc/49/78/10/642497810.db2.gz FRTISYWCLNHDCH-UITAMQMPSA-N -1 1 399.274 0.939 20 10 GCCDMM CN(C)S(=O)(=O)NCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000854108911 642815355 /nfs/dbraw/zinc/81/53/55/642815355.db2.gz ODTQFOXFQYWNQA-UHFFFAOYSA-N -1 1 395.279 0.350 20 10 GCCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000741145236 1201760887 /nfs/dbraw/zinc/76/08/87/1201760887.db2.gz QBOLRPQUIFOZHA-SECBINFHSA-N -1 1 397.409 0.248 20 10 GCCDMM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000746271620 1201905736 /nfs/dbraw/zinc/90/57/36/1201905736.db2.gz CKBOXERJLWHWKO-UHFFFAOYSA-N -1 1 394.453 0.348 20 10 GCCDMM CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cn1C ZINC000806632083 1205561226 /nfs/dbraw/zinc/56/12/26/1205561226.db2.gz DXTCVMPMYHXSDE-UHFFFAOYSA-N -1 1 396.377 0.976 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CC[C@@H](O)[C@@H](CO)C3)cc12 ZINC001184357190 1205907986 /nfs/dbraw/zinc/90/79/86/1205907986.db2.gz UPGCNQMBEMTMCD-GDBMZVCRSA-N -1 1 390.436 0.441 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)N[C@H]3SC(=O)[N-]C3=O)cc12 ZINC001184362952 1205908060 /nfs/dbraw/zinc/90/80/60/1205908060.db2.gz XXTCWTCHCBFDSA-INIZCTEOSA-N -1 1 391.405 0.664 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N[C@H]3SC(=O)[N-]C3=O)cc12 ZINC001184362952 1205908062 /nfs/dbraw/zinc/90/80/62/1205908062.db2.gz XXTCWTCHCBFDSA-INIZCTEOSA-N -1 1 391.405 0.664 20 10 GCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@H](O)C[C@@H]3CO)cc12 ZINC001184359836 1205908067 /nfs/dbraw/zinc/90/80/67/1205908067.db2.gz MKEKZXHMOFRTFR-ZIAGYGMSSA-N -1 1 376.409 0.193 20 10 GCCDMM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)[n-]n1 ZINC001184945727 1205915204 /nfs/dbraw/zinc/91/52/04/1205915204.db2.gz GVYHYUQLVGWUTG-UHFFFAOYSA-N -1 1 394.453 0.854 20 10 GCCDMM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n[n-]1 ZINC001184945727 1205915206 /nfs/dbraw/zinc/91/52/06/1205915206.db2.gz GVYHYUQLVGWUTG-UHFFFAOYSA-N -1 1 394.453 0.854 20 10 GCCDMM