smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nccnc1CC(=O)[O-] ZINC001164699122 719866376 /nfs/dbraw/zinc/86/63/76/719866376.db2.gz ADYZJGIBGXNEHB-SCLBCKFNSA-N -1 0 378.429 0.336 20 0 GCADRM COCCN1C[C@H]2CN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C[C@H]2C1=O ZINC001164903612 721576951 /nfs/dbraw/zinc/57/69/51/721576951.db2.gz QGOPNUBLIMPQEZ-DTWKUNHWSA-N -1 0 390.774 0.914 20 0 GCADRM C[C@@H](CS(=O)(=O)NCc1nn(C)cc1I)C(=O)[O-] ZINC001592814876 979505744 /nfs/dbraw/zinc/50/57/44/979505744.db2.gz DRFJNUPPOCJTAT-LURJTMIESA-N -1 0 387.199 0.165 20 0 GCADRM COc1ccc([C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)C(=O)[O-])cc1F ZINC000684732359 939034841 /nfs/dbraw/zinc/03/48/41/939034841.db2.gz NYBIZTGICPJQFO-GFCCVEGCSA-N -1 0 391.421 0.587 20 0 GCADRM COc1ccc([C@H](NC(=O)NCc2nnnn2C2CC2)C(=O)[O-])c(OC)c1 ZINC000684736147 939037449 /nfs/dbraw/zinc/03/74/49/939037449.db2.gz 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389.433 0.965 20 0 GCADRM C[C@@H](CN(C)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)C(=O)[O-] ZINC001589026035 955497984 /nfs/dbraw/zinc/49/79/84/955497984.db2.gz AGSYAJBNSKTZOD-AWEZNQCLSA-N -1 0 376.457 0.936 20 0 GCADRM C[C@H](CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC001589026472 955501382 /nfs/dbraw/zinc/50/13/82/955501382.db2.gz HVSROQBYBUXEIB-CYBMUJFWSA-N -1 0 399.469 0.570 20 0 GCADRM Cn1cc(C(=O)CCC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cn1 ZINC001594526148 955503352 /nfs/dbraw/zinc/50/33/52/955503352.db2.gz WNSQPSRRBXPQEY-GFCCVEGCSA-N -1 0 376.413 0.307 20 0 GCADRM COC(=O)N1CCC([C@@H](C)NC(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001593857059 955510326 /nfs/dbraw/zinc/51/03/26/955510326.db2.gz SYEUJHWQDJJVGB-GFCCVEGCSA-N -1 0 375.422 0.270 20 0 GCADRM COC(=O)N1CCC([C@@H](C)NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593857095 955510616 /nfs/dbraw/zinc/51/06/16/955510616.db2.gz UXQVOCABRXPSFR-TZMCWYRMSA-N -1 0 398.460 0.618 20 0 GCADRM O=C([O-])Cc1cccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000821538869 955515193 /nfs/dbraw/zinc/51/51/93/955515193.db2.gz VUPCSOFOLRVJEA-CQSZACIVSA-N -1 0 388.401 0.897 20 0 GCADRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589029191 955518110 /nfs/dbraw/zinc/51/81/10/955518110.db2.gz WJJBSFICSSVDNN-GHMZBOCLSA-N -1 0 378.447 0.200 20 0 GCADRM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593860291 955528940 /nfs/dbraw/zinc/52/89/40/955528940.db2.gz MMKLWLGBTVYAFR-CABCVRRESA-N -1 0 385.380 0.330 20 0 GCADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)CCCN3C(=O)CCC3=O)C2)cn1 ZINC001594532120 955541725 /nfs/dbraw/zinc/54/17/25/955541725.db2.gz POHUQEWYGFCYKY-OLZOCXBDSA-N -1 0 376.413 0.366 20 0 GCADRM COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001593861017 955543839 /nfs/dbraw/zinc/54/38/39/955543839.db2.gz WSXSTAIPQGVQBD-CZIZLABSSA-N -1 0 386.401 0.002 20 0 GCADRM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001593861183 955547021 /nfs/dbraw/zinc/54/70/21/955547021.db2.gz OKRRKSIEYITCKR-RLFDGXBXSA-N -1 0 386.401 0.145 20 0 GCADRM O=C([O-])C1(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)CCOCC1 ZINC000831062480 955548890 /nfs/dbraw/zinc/54/88/90/955548890.db2.gz KMCKSCOXSZAZCS-ZIAGYGMSSA-N -1 0 382.413 0.995 20 0 GCADRM O=C([O-])C1(CNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)CCOCC1 ZINC000831062479 955549173 /nfs/dbraw/zinc/54/91/73/955549173.db2.gz KMCKSCOXSZAZCS-UONOGXRCSA-N -1 0 382.413 0.995 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C[C@@H]1c1ccccc1 ZINC001593861448 955551257 /nfs/dbraw/zinc/55/12/57/955551257.db2.gz VVVZGHGAOHRFHK-BZUAXINKSA-N -1 0 388.420 0.725 20 0 GCADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)cn1 ZINC001594537219 955585288 /nfs/dbraw/zinc/58/52/88/955585288.db2.gz IBFGJKPXJKPHLQ-QWHCGFSZSA-N -1 0 392.437 0.398 20 0 GCADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(S(=O)(=O)c3cccc(C(N)=O)c3)C2)cn1 ZINC001594537992 955594496 /nfs/dbraw/zinc/59/44/96/955594496.db2.gz PYEOZSYBQNSHFT-STQMWFEESA-N -1 0 392.437 0.398 20 0 GCADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)NCCC[C@@H]3CCOC3=O)C2)cn1 ZINC001594537922 955595125 /nfs/dbraw/zinc/59/51/25/955595125.db2.gz CXDMFPNJIJXBPY-MGPQQGTHSA-N -1 0 378.429 0.963 20 0 GCADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(S(=O)(=O)c3cnn4ccccc34)C2)cn1 ZINC001594538606 955606196 /nfs/dbraw/zinc/60/61/96/955606196.db2.gz SCBKGSLDIWWMKG-STQMWFEESA-N -1 0 389.437 0.947 20 0 GCADRM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000842674563 955607519 /nfs/dbraw/zinc/60/75/19/955607519.db2.gz URHMYMFFDLEGBQ-UKRRQHHQSA-N -1 0 394.453 0.246 20 0 GCADRM Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC001594538821 955609092 /nfs/dbraw/zinc/60/90/92/955609092.db2.gz RSMPCFLLIIGROA-HAWMADMCSA-N -1 0 377.422 0.829 20 0 GCADRM C[C@H](CNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001589044489 955613204 /nfs/dbraw/zinc/61/32/04/955613204.db2.gz RVXHYBSHQLYUSU-SSINHNECSA-N -1 0 376.475 0.972 20 0 GCADRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ccc4c(c3)C(=O)NC4=O)C2)cn1 ZINC001594539216 955614308 /nfs/dbraw/zinc/61/43/08/955614308.db2.gz NEJABXLFYMOKKW-NEPJUHHUSA-N -1 0 382.376 0.634 20 0 GCADRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001594539177 955614963 /nfs/dbraw/zinc/61/49/63/955614963.db2.gz NDXJJEYCLCLEQS-BZPMIXESSA-N -1 0 396.444 0.322 20 0 GCADRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(S(=O)(=O)N3CCOC(C)(C)C3)C2)cn1 ZINC001594539314 955616729 /nfs/dbraw/zinc/61/67/29/955616729.db2.gz VDTQNJDKAHUJEI-STQMWFEESA-N -1 0 386.474 0.266 20 0 GCADRM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(S(=O)(=O)c3c[nH]c4ncncc34)C2)cn1 ZINC001594539386 955618952 /nfs/dbraw/zinc/61/89/52/955618952.db2.gz VJLMIHQCSWUBHA-WDEREUQCSA-N -1 0 390.425 0.522 20 0 GCADRM 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CC(=O)NCCN(C(=O)[C@H]1CCCN(c2ccccc2)C1=O)[C@@H](C)C(=O)[O-] ZINC001588507010 958737450 /nfs/dbraw/zinc/73/74/50/958737450.db2.gz YMOJVIHALCWNOK-XJKSGUPXSA-N -1 0 375.425 0.867 20 0 GCADRM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(OC)[C@H](C)C(=O)[O-])C1=O ZINC001594143306 958737222 /nfs/dbraw/zinc/73/72/22/958737222.db2.gz BIUTXZBLAHRGOA-BMLIUANNSA-N -1 0 379.369 0.325 20 0 GCADRM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(OC)[C@@H](C)C(=O)[O-])C1=O ZINC001594143308 958737304 /nfs/dbraw/zinc/73/73/04/958737304.db2.gz BIUTXZBLAHRGOA-BTDLBPIBSA-N -1 0 379.369 0.325 20 0 GCADRM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1=O ZINC001594143198 958737926 /nfs/dbraw/zinc/73/79/26/958737926.db2.gz ABSBBCZQCYXJLY-UYSIFFEZSA-N -1 0 389.408 0.832 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1sc(-c2ccn(C)n2)nc1C)[C@H](C)C(=O)[O-] ZINC001588507667 958742210 /nfs/dbraw/zinc/74/22/10/958742210.db2.gz NQJZJJXQXPKQCN-LLVKDONJSA-N -1 0 393.469 0.832 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(-n2cc(C)cn2)c(F)cc1N)[C@@H](C)C(=O)[O-] ZINC001588507945 958743376 /nfs/dbraw/zinc/74/33/76/958743376.db2.gz WIKRQOFQJDQCTP-NSHDSACASA-N -1 0 391.403 0.953 20 0 GCADRM COc1ccccc1C[C@@](C)(CO)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594144598 958752215 /nfs/dbraw/zinc/75/22/15/958752215.db2.gz WEVSPUMTMQCOMO-LIRRHRJNSA-N -1 0 378.425 0.428 20 0 GCADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC001588508604 958753020 /nfs/dbraw/zinc/75/30/20/958753020.db2.gz NDIUFVMINLZISO-SSDOTTSWSA-N -1 0 386.352 0.039 20 0 GCADRM CC(=O)NCCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)[C@H](C)C(=O)[O-] ZINC001588508765 958754697 /nfs/dbraw/zinc/75/46/97/958754697.db2.gz RBDCKANQBLGAEF-GFCCVEGCSA-N -1 0 384.454 0.920 20 0 GCADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC001588508852 958756268 /nfs/dbraw/zinc/75/62/68/958756268.db2.gz TUKJOOZXHYMMFK-WCBMZHEXSA-N -1 0 375.274 0.811 20 0 GCADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001588509143 958759599 /nfs/dbraw/zinc/75/95/99/958759599.db2.gz ZQQXYNUTABPQOE-APXPCNQMSA-N -1 0 391.471 0.299 20 0 GCADRM CC(=O)NCCN(CC(=O)NCCc1cccc2cccnc21)[C@H](C)C(=O)[O-] ZINC001588513278 958767238 /nfs/dbraw/zinc/76/72/38/958767238.db2.gz KTMPSZYJDYLMJP-CQSZACIVSA-N -1 0 386.452 0.805 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001573422000 958775159 /nfs/dbraw/zinc/77/51/59/958775159.db2.gz QDKBWCWCPLOYJA-IGNZVWTISA-N -1 0 384.429 0.308 20 0 GCADRM COc1ccccc1S(=O)(=O)CCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594150668 958791178 /nfs/dbraw/zinc/79/11/78/958791178.db2.gz KQUWWIVXZCWHRV-GFCCVEGCSA-N -1 0 391.467 0.043 20 0 GCADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC001573426410 958791232 /nfs/dbraw/zinc/79/12/32/958791232.db2.gz ZGBFOIWZOKQPNZ-QGZVFWFLSA-N -1 0 383.445 0.561 20 0 GCADRM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588515132 958794007 /nfs/dbraw/zinc/79/40/07/958794007.db2.gz FDMPMKOBTUWRBX-GFCCVEGCSA-N -1 0 387.396 0.634 20 0 GCADRM CC(C)(C)OC(=O)N1CC(N(C(=O)c2cn(CC(=O)[O-])nn2)C2CCC2)C1 ZINC001573435417 958799531 /nfs/dbraw/zinc/79/95/31/958799531.db2.gz LTUWCVVMWVKKKP-UHFFFAOYSA-N -1 0 379.417 0.977 20 0 GCADRM COc1cnc([C@H]2CCCN2S(=O)(=O)N2CCC(C(=O)[O-])CC2)[nH]c1=O ZINC001594152570 958799947 /nfs/dbraw/zinc/79/99/47/958799947.db2.gz ATBLVPHCBNUTPQ-LLVKDONJSA-N -1 0 386.430 0.369 20 0 GCADRM CC(=O)Nc1cccc(OCCNC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001588523090 958845721 /nfs/dbraw/zinc/84/57/21/958845721.db2.gz JLVOITGJCDGQFJ-UGSOOPFHSA-N -1 0 377.397 0.766 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001573450164 958872248 /nfs/dbraw/zinc/87/22/48/958872248.db2.gz DQVYFAVMPGHDJS-UHFFFAOYSA-N -1 0 381.429 0.603 20 0 GCADRM COc1ncnc(N(C)C)c1NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594159609 958874887 /nfs/dbraw/zinc/87/48/87/958874887.db2.gz UJSCDQZQMLJRID-JTQLQIEISA-N -1 0 380.405 0.138 20 0 GCADRM COc1nsc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1Br ZINC001594160877 958890180 /nfs/dbraw/zinc/89/01/80/958890180.db2.gz DUUMKTUORLJECU-ZCFIWIBFSA-N -1 0 394.247 0.966 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC[C@H](O)C(C)(C)C2)C1 ZINC001573454912 958893470 /nfs/dbraw/zinc/89/34/70/958893470.db2.gz UIMMPHKQYDZBRV-SGTLLEGYSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)C1 ZINC001573456001 958900093 /nfs/dbraw/zinc/90/00/93/958900093.db2.gz UZHQOUPYPKDAGE-QJNYJZHLSA-N -1 0 398.456 0.697 20 0 GCADRM COc1nscc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594161765 958902599 /nfs/dbraw/zinc/90/25/99/958902599.db2.gz FJBSVMGKNYCSGL-SECBINFHSA-N -1 0 389.455 0.238 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H]2C[C@@H]21 ZINC001573456777 958902820 /nfs/dbraw/zinc/90/28/20/958902820.db2.gz XGZHBCNKYOBZDI-QWHCGFSZSA-N -1 0 389.474 0.721 20 0 GCADRM Cc1cccc(C[C@@H](CO)NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001594407812 958912534 /nfs/dbraw/zinc/91/25/34/958912534.db2.gz BTJUZFVVSBLPTJ-JKSUJKDBSA-N -1 0 377.441 0.663 20 0 GCADRM CS(=O)(=O)CC1(CCNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001594163393 958922131 /nfs/dbraw/zinc/92/21/31/958922131.db2.gz BVSINXSPZVRMEB-JZLYGMAVSA-N -1 0 388.486 0.913 20 0 GCADRM CS(=O)(=O)CC1(CNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCC1 ZINC001594164034 958930874 /nfs/dbraw/zinc/93/08/74/958930874.db2.gz OPGLUKHOHBJCSB-JZLYGMAVSA-N -1 0 388.486 0.913 20 0 GCADRM CS(=O)(=O)C[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594164591 958942024 /nfs/dbraw/zinc/94/20/24/958942024.db2.gz ZXZHTJRKTWUTQP-QMMMGPOBSA-N -1 0 395.231 0.674 20 0 GCADRM CC(C)(CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)[O-] ZINC001573469537 958943177 /nfs/dbraw/zinc/94/31/77/958943177.db2.gz AAMKLVGHGJBEMT-UKRRQHHQSA-N -1 0 380.416 0.947 20 0 GCADRM C[C@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603240820 972388890 /nfs/dbraw/zinc/38/88/90/972388890.db2.gz WYGREMFXIIHJHE-ZMLRMANQSA-N -1 0 384.458 0.382 20 0 GCADRM CS(=O)(=O)N1CCC(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC001594168762 958967601 /nfs/dbraw/zinc/96/76/01/958967601.db2.gz ZSGBKABRTOBRLD-UHFFFAOYSA-N -1 0 398.437 0.895 20 0 GCADRM CC(C)(CNS(N)(=O)=O)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573478687 958969238 /nfs/dbraw/zinc/96/92/38/958969238.db2.gz WJXNDPIMPVOYLJ-UHFFFAOYSA-N -1 0 382.801 0.871 20 0 GCADRM CS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)o1 ZINC001594169394 958973497 /nfs/dbraw/zinc/97/34/97/958973497.db2.gz LIMDCJDCYWUTKU-YWFMTQBDSA-N -1 0 386.426 0.471 20 0 GCADRM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594170002 958986339 /nfs/dbraw/zinc/98/63/39/958986339.db2.gz OYKWCMAYEJITCD-OWCLPIDISA-N -1 0 395.481 0.920 20 0 GCADRM C[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001588545021 958990981 /nfs/dbraw/zinc/99/09/81/958990981.db2.gz HCWIOTHFOXPMOI-LBPRGKRZSA-N -1 0 383.445 0.777 20 0 GCADRM CS(=O)(=O)Nc1ccc(OCCNC(=O)C2(C(=O)[O-])CCOCC2)cc1 ZINC001594171544 959004635 /nfs/dbraw/zinc/00/46/35/959004635.db2.gz PIUSXIXBBRVXHG-UHFFFAOYSA-N -1 0 386.426 0.435 20 0 GCADRM CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@]2(C(=O)[O-])CCOC2)c1 ZINC001594173289 959014739 /nfs/dbraw/zinc/01/47/39/959014739.db2.gz DJZLDNPZQIWUBV-CQSZACIVSA-N -1 0 376.818 0.515 20 0 GCADRM CS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cc1Br ZINC001594175344 959037493 /nfs/dbraw/zinc/03/74/93/959037493.db2.gz YUZOSKLXIZATLN-CYBMUJFWSA-N -1 0 392.227 0.826 20 0 GCADRM CS(C)(=O)=NS(=O)(=O)CCNC(=O)NCc1ccccc1C(=O)[O-] ZINC001594178670 959063016 /nfs/dbraw/zinc/06/30/16/959063016.db2.gz NRJOAFVHZCASSY-UHFFFAOYSA-N -1 0 377.444 0.241 20 0 GCADRM C[S@@](=O)c1cccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001594179257 959067787 /nfs/dbraw/zinc/06/77/87/959067787.db2.gz WFVJAKUMSBJYOZ-ZBSNKRKSSA-N -1 0 378.450 0.962 20 0 GCADRM C[S@](=O)c1cccc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001594179252 959068333 /nfs/dbraw/zinc/06/83/33/959068333.db2.gz WFVJAKUMSBJYOZ-SRGMZFCMSA-N -1 0 378.450 0.962 20 0 GCADRM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001588560687 959095928 /nfs/dbraw/zinc/09/59/28/959095928.db2.gz LYLWWZNNKJJNSU-XHDPSFHLSA-N -1 0 392.387 0.526 20 0 GCADRM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573517712 959112689 /nfs/dbraw/zinc/11/26/89/959112689.db2.gz FENQRXZGIMITLV-CHWSQXEVSA-N -1 0 385.486 0.373 20 0 GCADRM O=C([O-])[C@@H]1CC(C(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)=NN1c1ccccc1 ZINC001605749470 972402574 /nfs/dbraw/zinc/40/25/74/972402574.db2.gz QMUBFUNBPCXRJO-DOMZBBRYSA-N -1 0 396.407 0.597 20 0 GCADRM CSC[C@@H](CCO)NC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594185578 959121564 /nfs/dbraw/zinc/12/15/64/959121564.db2.gz LLGHYUDFKAKLEV-BZNIZROVSA-N -1 0 392.474 0.307 20 0 GCADRM Cc1cn2nc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](c4cnn(C)c4)C3)cc2c(=O)[nH]1 ZINC001594426909 959133725 /nfs/dbraw/zinc/13/37/25/959133725.db2.gz QYZBHKATBGXYLY-NWDGAFQWSA-N -1 0 384.396 0.395 20 0 GCADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001588565868 959147708 /nfs/dbraw/zinc/14/77/08/959147708.db2.gz PYLIAXYOWXRIRL-CHWSQXEVSA-N -1 0 383.445 0.777 20 0 GCADRM CC(C)NS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001573547082 959212314 /nfs/dbraw/zinc/21/23/14/959212314.db2.gz GBSBVBIFPDEIIO-UHFFFAOYSA-N -1 0 375.491 0.799 20 0 GCADRM CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001573547368 959217572 /nfs/dbraw/zinc/21/75/72/959217572.db2.gz LRCYRHREIDJETL-UHFFFAOYSA-N -1 0 380.426 0.866 20 0 GCADRM CC(C)NS(=O)(=O)c1cccc(CNC(=O)C2(C(=O)[O-])CCOCC2)c1 ZINC001573549400 959224176 /nfs/dbraw/zinc/22/41/76/959224176.db2.gz HOWZYGKLFYXELR-UHFFFAOYSA-N -1 0 384.454 0.871 20 0 GCADRM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594199301 959228368 /nfs/dbraw/zinc/22/83/68/959228368.db2.gz JTUVCAFLTXSJBH-JTQLQIEISA-N -1 0 378.447 0.295 20 0 GCADRM CC(C)S(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001573552647 959237670 /nfs/dbraw/zinc/23/76/70/959237670.db2.gz AKMCGIKBSGBRMR-ZDUSSCGKSA-N -1 0 389.451 0.193 20 0 GCADRM Cc1n[nH]c(C(=O)NCC2(C(=O)[O-])CCOCC2)c1I ZINC001594441135 959269370 /nfs/dbraw/zinc/26/93/70/959269370.db2.gz OZMXKMWREIHYAV-UHFFFAOYSA-N -1 0 393.181 0.934 20 0 GCADRM C[C@H](C(=O)[O-])N(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC001588585181 959300786 /nfs/dbraw/zinc/30/07/86/959300786.db2.gz XGIYKSRRJRURIF-CYBMUJFWSA-N -1 0 375.429 0.370 20 0 GCADRM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573574221 959316912 /nfs/dbraw/zinc/31/69/12/959316912.db2.gz NHFFCCKSSTZGGT-ZFWWWQNUSA-N -1 0 376.409 0.948 20 0 GCADRM Cc1nc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001594446353 959333760 /nfs/dbraw/zinc/33/37/60/959333760.db2.gz KVLKRWLVKCCJHT-SVRRBLITSA-N -1 0 387.322 0.895 20 0 GCADRM Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC001594446443 959335952 /nfs/dbraw/zinc/33/59/52/959335952.db2.gz RUWWWQCNRCXEGI-HTRCEHHLSA-N -1 0 387.322 0.895 20 0 GCADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC001603250742 972422007 /nfs/dbraw/zinc/42/20/07/972422007.db2.gz JWXFBJARGBCKCL-XUJVJEKNSA-N -1 0 381.454 0.736 20 0 GCADRM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594220880 959370906 /nfs/dbraw/zinc/37/09/06/959370906.db2.gz CHXKFRQODBXOOK-NMKXLXIOSA-N -1 0 384.458 0.053 20 0 GCADRM C[C@@H]1CN(C(=O)c2cccn(CC(=O)[O-])c2=O)C[C@H]1NC(=O)OC(C)(C)C ZINC001594221333 959378319 /nfs/dbraw/zinc/37/83/19/959378319.db2.gz VDYZOWPLTHTSIH-DGCLKSJQSA-N -1 0 379.413 0.918 20 0 GCADRM C[C@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)N1CCc2ccccc2C1 ZINC001573591629 959401198 /nfs/dbraw/zinc/40/11/98/959401198.db2.gz KPZZMWVSJANERU-CQSZACIVSA-N -1 0 394.493 0.829 20 0 GCADRM C[C@@H](CNC(=O)OC(C)(C)C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001573599311 959419605 /nfs/dbraw/zinc/41/96/05/959419605.db2.gz BIKPEOVPALOMTB-NSHDSACASA-N -1 0 379.479 0.778 20 0 GCADRM C[C@@H](CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)C(=O)[O-] ZINC001573600105 959432829 /nfs/dbraw/zinc/43/28/29/959432829.db2.gz GVMLIEPQNMRGHI-LYOVBCGYSA-N -1 0 390.458 0.105 20 0 GCADRM C[C@H](CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)[O-] ZINC001573600785 959438910 /nfs/dbraw/zinc/43/89/10/959438910.db2.gz AIQUPPLCGHDFSA-RXMQYKEDSA-N -1 0 383.195 0.686 20 0 GCADRM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001594460676 959456715 /nfs/dbraw/zinc/45/67/15/959456715.db2.gz LCMXQTGUHQRAGW-BUXKBTBVSA-N -1 0 388.424 0.371 20 0 GCADRM C[C@H](C(=O)[O-])c1noc(-c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 ZINC001588603503 959456867 /nfs/dbraw/zinc/45/68/67/959456867.db2.gz OPTQIYHKULYHNJ-VIFPVBQESA-N -1 0 380.382 0.045 20 0 GCADRM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001594462093 959469474 /nfs/dbraw/zinc/46/94/74/959469474.db2.gz ZCAZXGQYGGIVIZ-BMIGLBTASA-N -1 0 387.440 0.947 20 0 GCADRM C[C@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594234599 959499536 /nfs/dbraw/zinc/49/95/36/959499536.db2.gz SMCKYKLLLHZQME-JTQLQIEISA-N -1 0 378.447 0.390 20 0 GCADRM CC(C)(C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)N1CCOCC1 ZINC001588609830 959500316 /nfs/dbraw/zinc/50/03/16/959500316.db2.gz GCDGSKZNKZWXSS-HZPDHXFCSA-N -1 0 389.452 0.640 20 0 GCADRM Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594465362 959502600 /nfs/dbraw/zinc/50/26/00/959502600.db2.gz BWHLDDUOPJUTRQ-HNNXBMFYSA-N -1 0 387.440 0.861 20 0 GCADRM C[C@H](O)C1CCN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001594241766 959535679 /nfs/dbraw/zinc/53/56/79/959535679.db2.gz KCNUVXLCLFIVHC-SGTLLEGYSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)n1 ZINC001588621641 959543480 /nfs/dbraw/zinc/54/34/80/959543480.db2.gz MOXNLHNMKRKZMN-YUMQZZPRSA-N -1 0 383.348 0.864 20 0 GCADRM C[C@H](O)[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(=O)OCc1ccccc1 ZINC001594243405 959548706 /nfs/dbraw/zinc/54/87/06/959548706.db2.gz VLGWEFZKTQBOMI-QEWYBTABSA-N -1 0 379.409 0.865 20 0 GCADRM C[C@@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573631224 959555009 /nfs/dbraw/zinc/55/50/09/959555009.db2.gz QJHZOKLLHFIYNG-FVCCEPFGSA-N -1 0 396.531 0.323 20 0 GCADRM Cc1nccn1CCCNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594471940 959571552 /nfs/dbraw/zinc/57/15/52/959571552.db2.gz UDJLIWQGPIRJDK-SFHVURJKSA-N -1 0 396.444 0.789 20 0 GCADRM C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCN1C(=O)c1cscn1 ZINC001594246115 959572524 /nfs/dbraw/zinc/57/25/24/959572524.db2.gz WVHPGYOAOIECHI-JQWIXIFHSA-N -1 0 388.471 0.083 20 0 GCADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588627882 959595962 /nfs/dbraw/zinc/59/59/62/959595962.db2.gz FBDITMQWEVRVSP-UHFFFAOYSA-N -1 0 382.417 0.737 20 0 GCADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573636811 959599353 /nfs/dbraw/zinc/59/93/53/959599353.db2.gz UTICPSLVBLDRJP-YGRLFVJLSA-N -1 0 398.462 0.790 20 0 GCADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001594248279 959600399 /nfs/dbraw/zinc/60/03/99/959600399.db2.gz ZPFQYOWRDGNILU-NWDGAFQWSA-N -1 0 389.412 0.579 20 0 GCADRM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001588628816 959602843 /nfs/dbraw/zinc/60/28/43/959602843.db2.gz VGUBQOWTUUHEDV-SGJMOYSZSA-N -1 0 382.457 0.789 20 0 GCADRM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588628918 959603828 /nfs/dbraw/zinc/60/38/28/959603828.db2.gz YTXQNMYNHKWNHL-KBPBESRZSA-N -1 0 381.473 0.711 20 0 GCADRM CC(C)(C)C(=O)Nc1nccnc1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588630812 959605269 /nfs/dbraw/zinc/60/52/69/959605269.db2.gz HUDIVNFDUKBXIO-LLVKDONJSA-N -1 0 391.428 0.657 20 0 GCADRM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594480963 959630335 /nfs/dbraw/zinc/63/03/35/959630335.db2.gz YYNIPKRGZZUFSB-RYTBJUFESA-N -1 0 380.445 0.782 20 0 GCADRM Cc1c(Br)cnn1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594253323 959632506 /nfs/dbraw/zinc/63/25/06/959632506.db2.gz XOUXDIBUHWEUFV-LLVKDONJSA-N -1 0 387.234 0.536 20 0 GCADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001594482314 959634342 /nfs/dbraw/zinc/63/43/42/959634342.db2.gz LKHPPQVJRFHRMQ-KBPBESRZSA-N -1 0 375.429 0.866 20 0 GCADRM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594482439 959636180 /nfs/dbraw/zinc/63/61/80/959636180.db2.gz RPKCSPGVCLTFPL-ABAIWWIYSA-N -1 0 379.461 0.733 20 0 GCADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001594483301 959643394 /nfs/dbraw/zinc/64/33/94/959643394.db2.gz MSHVEDAIUCMMOW-SECBINFHSA-N -1 0 396.425 0.746 20 0 GCADRM Cc1nn(C)cc1[C@H](C)NC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594484161 959653528 /nfs/dbraw/zinc/65/35/28/959653528.db2.gz FDLQVFXYZGVUHK-VOJFVSQTSA-N -1 0 396.444 0.996 20 0 GCADRM Cc1nn(CC(F)F)cc1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594486004 959661972 /nfs/dbraw/zinc/66/19/72/959661972.db2.gz JSDVJYFJWCANAE-LLVKDONJSA-N -1 0 384.383 0.994 20 0 GCADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588640391 959685257 /nfs/dbraw/zinc/68/52/57/959685257.db2.gz XRJWALKQFGUAHG-LZUBYRBGSA-N -1 0 376.475 0.479 20 0 GCADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588640393 959685308 /nfs/dbraw/zinc/68/53/08/959685308.db2.gz XRJWALKQFGUAHG-SLMGRZLQSA-N -1 0 376.475 0.479 20 0 GCADRM Cc1c([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)cnn1C ZINC001594259943 959688814 /nfs/dbraw/zinc/68/88/14/959688814.db2.gz BLKJUEYTWNQULR-ZMZPIMSZSA-N -1 0 396.444 0.996 20 0 GCADRM Cc1nnc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n1[C@@H]1CCC[C@H](C)C1 ZINC001594494619 959738684 /nfs/dbraw/zinc/73/86/84/959738684.db2.gz JWWZKNDZDHJDPP-CMPLNLGQSA-N -1 0 393.487 0.611 20 0 GCADRM C[C@@]1(c2ccc(NC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)cc2)NC(=O)NC1=O ZINC001573689302 959754146 /nfs/dbraw/zinc/75/41/46/959754146.db2.gz GPBGBFGQHHUALX-SGTLLEGYSA-N -1 0 388.380 0.003 20 0 GCADRM COC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000228223271 960003187 /nfs/dbraw/zinc/00/31/87/960003187.db2.gz JNCNFHJRYWLNCQ-SECBINFHSA-N -1 0 382.232 0.823 20 0 GCADRM CC(C)CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000228690198 960037993 /nfs/dbraw/zinc/03/79/93/960037993.db2.gz ILSOBKZVSNUQKT-UHFFFAOYSA-N -1 0 383.220 0.791 20 0 GCADRM COC[C@H](O)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000230133493 960128435 /nfs/dbraw/zinc/12/84/35/960128435.db2.gz QRMIBBRTHQCKBT-SECBINFHSA-N -1 0 382.232 0.823 20 0 GCADRM O=C([O-])c1cc(S(=O)(=O)NCCCOCCO)ccc1Br ZINC000230765612 960163080 /nfs/dbraw/zinc/16/30/80/960163080.db2.gz HGOAPPJCBBNKKU-UHFFFAOYSA-N -1 0 382.232 0.825 20 0 GCADRM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001604921672 972485805 /nfs/dbraw/zinc/48/58/05/972485805.db2.gz UMNLESLGFOCTMZ-GFCCVEGCSA-N -1 0 386.401 0.632 20 0 GCADRM CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)c1 ZINC001604083861 972486407 /nfs/dbraw/zinc/48/64/07/972486407.db2.gz UUKNVSUDSLLAMH-LBPRGKRZSA-N -1 0 379.442 0.643 20 0 GCADRM O=C([O-])[C@]1(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCCO1 ZINC001605780270 972489258 /nfs/dbraw/zinc/48/92/58/972489258.db2.gz CVYOTVPNLYLYQS-LJQANCHMSA-N -1 0 391.424 0.321 20 0 GCADRM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000392466972 972489930 /nfs/dbraw/zinc/48/99/30/972489930.db2.gz BKODZVHFIDIIKH-QMMMGPOBSA-N -1 0 397.858 0.854 20 0 GCADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NCCCc1nnc3n1CCCCC3)C2 ZINC001605780656 972491955 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Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@](C)(O)C(=O)[O-])CC2)cc1C ZINC000262339399 961654390 /nfs/dbraw/zinc/65/43/90/961654390.db2.gz ACJLCIISAIIAEM-SFHVURJKSA-N -1 0 398.481 0.656 20 0 GCADRM COc1ccc(C(=O)NCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1OC ZINC000262362706 961671891 /nfs/dbraw/zinc/67/18/91/961671891.db2.gz IWXMEKVAPHWDLX-ORAYPTAESA-N -1 0 392.408 0.383 20 0 GCADRM Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1C(=O)[O-] ZINC000262389753 961690007 /nfs/dbraw/zinc/69/00/07/961690007.db2.gz QVTKPPIKGGRCTB-LBPRGKRZSA-N -1 0 386.426 0.607 20 0 GCADRM C[C@](O)(CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)[O-] ZINC000262398828 961697333 /nfs/dbraw/zinc/69/73/33/961697333.db2.gz NHOJNQSNYPQGGQ-PBHICJAKSA-N -1 0 384.454 0.180 20 0 GCADRM CCc1nccn1CCNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001573963821 961703006 /nfs/dbraw/zinc/70/30/06/961703006.db2.gz DLKAZPDDUOFMAY-SFHVURJKSA-N -1 0 396.444 0.652 20 0 GCADRM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262412645 961705622 /nfs/dbraw/zinc/70/56/22/961705622.db2.gz PPAQAYYUHLJNJB-INIZCTEOSA-N -1 0 380.426 0.394 20 0 GCADRM CCc1nsc(N2CCN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)n1 ZINC001573970602 961720916 /nfs/dbraw/zinc/72/09/16/961720916.db2.gz SXEQFRUEUUVDJJ-LLVKDONJSA-N -1 0 381.458 0.072 20 0 GCADRM CCn1c(Br)ncc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573970828 961725766 /nfs/dbraw/zinc/72/57/66/961725766.db2.gz ZDZGQMGLAPQTOB-VIFPVBQESA-N -1 0 387.234 0.861 20 0 GCADRM NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574496975 961736246 /nfs/dbraw/zinc/73/62/46/961736246.db2.gz QTPPESQVHTUUNX-NEPJUHHUSA-N -1 0 377.397 0.500 20 0 GCADRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001588833843 961742416 /nfs/dbraw/zinc/74/24/16/961742416.db2.gz HPHFMWMKKVOGCT-JSGCOSHPSA-N -1 0 385.461 0.975 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000262477293 961743308 /nfs/dbraw/zinc/74/33/08/961743308.db2.gz 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KNJYHSQSNMGWSN-GFCCVEGCSA-N -1 0 380.445 0.972 20 0 GCADRM O=C(CCS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)OCc1ccccc1 ZINC001574521948 961860140 /nfs/dbraw/zinc/86/01/40/961860140.db2.gz OSGLOFNXFBVNSF-YOEHRIQHSA-N -1 0 383.422 0.483 20 0 GCADRM CN(CC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C(=O)OC(C)(C)C ZINC001573998468 961863581 /nfs/dbraw/zinc/86/35/81/961863581.db2.gz WMYQRWVMBPYABW-LBPRGKRZSA-N -1 0 383.445 0.777 20 0 GCADRM COC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)C(=O)[O-] ZINC000262811943 961878398 /nfs/dbraw/zinc/87/83/98/961878398.db2.gz BBPOAEKHRXRDDA-WFASDCNBSA-N -1 0 384.454 0.937 20 0 GCADRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)CCn1nnc3ccccc3c1=O)O2 ZINC001574526947 961884528 /nfs/dbraw/zinc/88/45/28/961884528.db2.gz AOKOUSNYBVQMKC-FWHMADFJSA-N -1 0 386.408 0.710 20 0 GCADRM O=C([O-])C1(NCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC001574531912 961908609 /nfs/dbraw/zinc/90/86/09/961908609.db2.gz UGGWTNUYMMNZTO-UHFFFAOYSA-N -1 0 392.380 0.845 20 0 GCADRM 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20 0 GCADRM O=C([O-])[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC001336243468 961956627 /nfs/dbraw/zinc/95/66/27/961956627.db2.gz UOXKPXASCSRPDH-WAOWUJCRSA-N -1 0 387.480 0.768 20 0 GCADRM CN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574019959 961958208 /nfs/dbraw/zinc/95/82/08/961958208.db2.gz QSQPQRHBJXWAAV-HNNXBMFYSA-N -1 0 390.440 0.410 20 0 GCADRM CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1 ZINC000262885082 961959286 /nfs/dbraw/zinc/95/92/86/961959286.db2.gz HBSKYWXWRVMMTG-KRWDZBQOSA-N -1 0 384.454 0.985 20 0 GCADRM CN1C(=O)CS/C1=C\C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001574021883 961969453 /nfs/dbraw/zinc/96/94/53/961969453.db2.gz GNOQUARWXZCPCC-VWTPILOCSA-N -1 0 395.359 0.156 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C[C@H]1C1CC1 ZINC001336779239 961969662 /nfs/dbraw/zinc/96/96/62/961969662.db2.gz RVDARAURXSEWLM-DAYGRLMNSA-N -1 0 383.514 0.947 20 0 GCADRM 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CC[C@](COC)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)[O-] ZINC001595192981 979882367 /nfs/dbraw/zinc/88/23/67/979882367.db2.gz CLLGXQKOUSWNTC-OAHLLOKOSA-N -1 0 376.406 0.686 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC001592916317 979889129 /nfs/dbraw/zinc/88/91/29/979889129.db2.gz FFJSYRYSVFIVAB-IBGZPJMESA-N -1 0 397.391 0.928 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)[O-] ZINC001592917534 979895155 /nfs/dbraw/zinc/89/51/55/979895155.db2.gz QALFTPIARJMXSP-MRXNPFEDSA-N -1 0 377.401 0.097 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000864211893 979897639 /nfs/dbraw/zinc/89/76/39/979897639.db2.gz LFZJKFYNUUGBBO-MLGOLLRUSA-N -1 0 377.372 0.910 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CN1C(=O)COc2ccc(Cl)cc21)C(=O)[O-] ZINC001592918197 979902735 /nfs/dbraw/zinc/90/27/35/979902735.db2.gz ZZQJFZIRZRUFJZ-QGZVFWFLSA-N -1 0 392.799 0.922 20 0 GCADRM CC[C@](COC)(NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)OC ZINC001595194803 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C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC001599900451 984813243 /nfs/dbraw/zinc/81/32/43/984813243.db2.gz RHRGWSCKWKODCU-BQBZGAKWSA-N -1 0 397.222 0.844 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)C(=O)[O-] ZINC001599900571 984814477 /nfs/dbraw/zinc/81/44/77/984814477.db2.gz YJXVEZHVPIMPRK-QEYWKRMJSA-N -1 0 390.380 0.384 20 0 GCADRM CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1C ZINC001596694358 984822192 /nfs/dbraw/zinc/82/21/92/984822192.db2.gz LZIQIMUGBOZGSM-LLVKDONJSA-N -1 0 386.426 0.175 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccn1)C(=O)NCCc1ccccc1 ZINC001599902589 984866726 /nfs/dbraw/zinc/86/67/26/984866726.db2.gz HJFBRTSIEGTTTK-LBPRGKRZSA-N -1 0 377.422 0.806 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001599902776 984871184 /nfs/dbraw/zinc/87/11/84/984871184.db2.gz PQEQASDTSXMUCY-MEDUHNTESA-N -1 0 388.417 0.633 20 0 GCADRM C/C(=C/CNS(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001588982143 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/nfs/dbraw/zinc/69/03/65/988690365.db2.gz MLBCTFISXNTKKK-KRWDZBQOSA-N -1 0 382.417 0.868 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CNC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001589929962 988690660 /nfs/dbraw/zinc/69/06/60/988690660.db2.gz MLBCTFISXNTKKK-QGZVFWFLSA-N -1 0 382.417 0.868 20 0 GCADRM CC(C)(C)OC(=O)N1CC(N(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C2CC2)C1 ZINC001589930097 988691504 /nfs/dbraw/zinc/69/15/04/988691504.db2.gz PCMZTUUYOXJBJU-CQSZACIVSA-N -1 0 395.456 0.920 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)C1 ZINC001589930632 988694974 /nfs/dbraw/zinc/69/49/74/988694974.db2.gz XHYIVNOIMWPNCU-INIZCTEOSA-N -1 0 392.474 0.797 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)nn2)C1 ZINC001589938604 988696259 /nfs/dbraw/zinc/69/62/59/988696259.db2.gz AIJHUVHRVVJPRY-NSHDSACASA-N -1 0 377.401 0.973 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)nn2)C1 ZINC001589938672 988697226 /nfs/dbraw/zinc/69/72/26/988697226.db2.gz CMDRFZRFEXBUPN-MRXNPFEDSA-N -1 0 383.380 0.709 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCCNC1=O)C[C@@H]2C(=O)[O-] ZINC001589938649 988697309 /nfs/dbraw/zinc/69/73/09/988697309.db2.gz BRYNUTBMKOWILO-VXGBXAGGSA-N -1 0 381.429 0.293 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])C1 ZINC001589939594 988704944 /nfs/dbraw/zinc/70/49/44/988704944.db2.gz CLNVVLXURYSITE-CQSZACIVSA-N -1 0 393.440 0.813 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N[C@H](CC(F)F)C(=O)[O-])C1 ZINC001589939642 988705982 /nfs/dbraw/zinc/70/59/82/988705982.db2.gz VOVBETWUGROKNK-SECBINFHSA-N -1 0 389.359 0.908 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C[C@@H]2C(=O)[O-] ZINC001589939949 988708938 /nfs/dbraw/zinc/70/89/38/988708938.db2.gz YXCLCXHKSCIVOY-QJPTWQEYSA-N -1 0 381.429 0.278 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001589940315 988713512 /nfs/dbraw/zinc/71/35/12/988713512.db2.gz RHMTZNMKFCFVPR-QFSBIZTOSA-N -1 0 382.417 0.282 20 0 GCADRM CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)C1 ZINC001589940294 988713766 /nfs/dbraw/zinc/71/37/66/988713766.db2.gz QREGNMGHNFGXDO-UHFFFAOYSA-N -1 0 380.401 0.629 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCO[C@@H](CC(=O)[O-])C1)OC2=O ZINC001589941969 988726477 /nfs/dbraw/zinc/72/64/77/988726477.db2.gz PULUXTJDQWHYOW-QWHCGFSZSA-N -1 0 384.429 0.715 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)OCCN2S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001589942047 988727401 /nfs/dbraw/zinc/72/74/01/988727401.db2.gz RNAHBNVCKIEBRJ-UHFFFAOYSA-N -1 0 378.447 0.706 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NOC[C@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001589947579 988736410 /nfs/dbraw/zinc/73/64/10/988736410.db2.gz GCSLYUVUXBAZPB-QWHCGFSZSA-N -1 0 399.444 0.918 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NCc1ncccn1)C[C@H]2C(=O)[O-] ZINC001589947697 988737436 /nfs/dbraw/zinc/73/74/36/988737436.db2.gz GWAFITIVTZHFMP-LBPRGKRZSA-N -1 0 391.428 0.940 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCCNC1=O)C[C@@H]2C(=O)[O-] ZINC001589948315 988740174 /nfs/dbraw/zinc/74/01/74/988740174.db2.gz LEFYBGNTNDJELO-GFCCVEGCSA-N -1 0 396.444 0.182 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(CC(=O)Nc1cccnn1)C[C@@H]2C(=O)[O-] ZINC001589949482 988745467 /nfs/dbraw/zinc/74/54/67/988745467.db2.gz VYFBYHIUABBNOP-GFCCVEGCSA-N -1 0 391.428 0.669 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)NCCC(=O)NCCC(=O)[O-])[C@@H]2C1 ZINC001589952863 988748104 /nfs/dbraw/zinc/74/81/04/988748104.db2.gz AAKARDNYTDBRHE-XYYAHUGASA-N -1 0 398.460 0.380 20 0 GCADRM CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C2 ZINC001589953587 988750994 /nfs/dbraw/zinc/75/09/94/988750994.db2.gz FZUNQKPJQJQNLD-YISRUWBESA-N -1 0 381.429 0.482 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001589968238 988793047 /nfs/dbraw/zinc/79/30/47/988793047.db2.gz REAFRBNIIUYUOE-CMPLNLGQSA-N -1 0 385.396 0.688 20 0 GCADRM C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO)C(=O)[O-] ZINC001599841171 988834181 /nfs/dbraw/zinc/83/41/81/988834181.db2.gz OWKXXUHJWDLDCR-MNOVXSKESA-N -1 0 390.483 0.877 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001589979299 988839222 /nfs/dbraw/zinc/83/92/22/988839222.db2.gz KKOQSGBJKYUJGU-SECBINFHSA-N -1 0 379.360 0.196 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589984153 988867664 /nfs/dbraw/zinc/86/76/64/988867664.db2.gz UPHCLTIVVDIDMS-VIFPVBQESA-N -1 0 379.360 0.472 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001589984584 988872800 /nfs/dbraw/zinc/87/28/00/988872800.db2.gz GDEUKBSARLONOU-GOSISDBHSA-N -1 0 394.428 0.796 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N[C@@H](CO)C(=O)[O-])CCC2)CC1 ZINC001589984741 988874365 /nfs/dbraw/zinc/87/43/65/988874365.db2.gz HQGOYSXBNACAPZ-LBPRGKRZSA-N -1 0 386.445 0.480 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001589984730 988874916 /nfs/dbraw/zinc/87/49/16/988874916.db2.gz HHMVKOQDBIGYRV-STQMWFEESA-N -1 0 386.445 0.433 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](O)C1 ZINC001589985091 988878346 /nfs/dbraw/zinc/87/83/46/988878346.db2.gz LBHBBDWWZRQHNW-JQWIXIFHSA-N -1 0 389.430 0.362 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(OCC(=O)NCCn2cc(C(=O)[O-])nn2)CC1 ZINC001589985934 988888354 /nfs/dbraw/zinc/88/83/54/988888354.db2.gz YELWXNHGWPPYKU-UHFFFAOYSA-N -1 0 397.432 0.509 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@@H](CO)C(=O)[O-])o2)CC1 ZINC001589990624 988892531 /nfs/dbraw/zinc/89/25/31/988892531.db2.gz CMKAEASOSVDGEH-NSHDSACASA-N -1 0 383.401 0.964 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001599843677 988896845 /nfs/dbraw/zinc/89/68/45/988896845.db2.gz GXKCHLUNUPNRIH-FYBVGQRMSA-N -1 0 396.874 0.505 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)OCC(=O)NCC(=O)[O-])n[nH]2)C1 ZINC001589991791 988899691 /nfs/dbraw/zinc/89/96/91/988899691.db2.gz MJTYTZWWRHCLFB-JTQLQIEISA-N -1 0 396.400 0.492 20 0 GCADRM CCc1nc2ccccc2n1CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001597696207 988900617 /nfs/dbraw/zinc/90/06/17/988900617.db2.gz TUPZTYGDAQXLQM-LBPRGKRZSA-N -1 0 379.438 0.699 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N[C@H](CO)C(=O)[O-])CC1 ZINC001589992363 988901701 /nfs/dbraw/zinc/90/17/01/988901701.db2.gz SGFPTOAFELLCFR-LLVKDONJSA-N -1 0 383.401 0.964 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001599844027 988902835 /nfs/dbraw/zinc/90/28/35/988902835.db2.gz SLHIAKYUIUYVDT-BNOWGMLFSA-N -1 0 382.413 0.909 20 0 GCADRM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])=NO2)CC1 ZINC001589993725 988908516 /nfs/dbraw/zinc/90/85/16/988908516.db2.gz GGFFXYPQZXTHFG-YPMHNXCESA-N -1 0 397.428 0.579 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(=O)[O-] ZINC001599844524 988909200 /nfs/dbraw/zinc/90/92/00/988909200.db2.gz ODUMZQPUSWFJLJ-LNLATYFQSA-N -1 0 385.214 0.752 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)CCSCC(=O)[O-])C1 ZINC001589994263 988910814 /nfs/dbraw/zinc/91/08/14/988910814.db2.gz KHNOICWIGWWTFE-INIZCTEOSA-N -1 0 387.458 0.837 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599845209 988919525 /nfs/dbraw/zinc/91/95/25/988919525.db2.gz LMUQZQHCCVIXTK-NRUUGDAUSA-N -1 0 382.417 0.807 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001599845204 988919542 /nfs/dbraw/zinc/91/95/42/988919542.db2.gz LMUQZQHCCVIXTK-BREBYQMCSA-N -1 0 382.417 0.807 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001590006046 988957197 /nfs/dbraw/zinc/95/71/97/988957197.db2.gz UPMOAEHXKXIRHZ-OLZOCXBDSA-N -1 0 381.433 0.885 20 0 GCADRM CCc1ncsc1NC(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001597711712 988971274 /nfs/dbraw/zinc/97/12/74/988971274.db2.gz ANWRRAJIPWYOPF-INIZCTEOSA-N -1 0 382.442 0.032 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCn2cc(C(=O)[O-])nn2)C1 ZINC001590014468 988980394 /nfs/dbraw/zinc/98/03/94/988980394.db2.gz BOEKQWNJIUCMPA-NSHDSACASA-N -1 0 382.421 0.675 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NC2(C(=O)[O-])CC(CO)C2)C1 ZINC001590014515 988980549 /nfs/dbraw/zinc/98/05/49/988980549.db2.gz CDJNQXMEXHTYSG-KQJRHQORSA-N -1 0 386.445 0.480 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC001590014542 988980587 /nfs/dbraw/zinc/98/05/87/988980587.db2.gz CSKPHVGXJJCILJ-OLZOCXBDSA-N -1 0 383.445 0.968 20 0 GCADRM CCc1nn(C)c(CC)c1CNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597716811 988983835 /nfs/dbraw/zinc/98/38/35/988983835.db2.gz XGLSQEIRLZRIAH-LJQANCHMSA-N -1 0 393.488 0.616 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] 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COC(=O)[C@H]1CN(C(=O)C(=O)N2Cc3cc(F)c(F)cc3C2)C[C@H]1C(=O)[O-] ZINC001598802833 996155431 /nfs/dbraw/zinc/15/54/31/996155431.db2.gz GJAYDYNBZOSKNP-MNOVXSKESA-N -1 0 382.319 0.139 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC001598803128 996158647 /nfs/dbraw/zinc/15/86/47/996158647.db2.gz IWQSGNXFGLXPCQ-NXEZZACHSA-N -1 0 384.335 0.255 20 0 GCADRM C[C@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1)N1CCOCC1 ZINC001593698671 996166774 /nfs/dbraw/zinc/16/67/74/996166774.db2.gz ZVOYGHVCZNBRPV-XNRPHZJLSA-N -1 0 375.425 0.855 20 0 GCADRM COC(=O)[C@H]1CCS(=O)(=O)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001598804039 996167429 /nfs/dbraw/zinc/16/74/29/996167429.db2.gz RTTDWEQMDGVGBC-LLVKDONJSA-N -1 0 377.802 0.994 20 0 GCADRM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593698984 996168013 /nfs/dbraw/zinc/16/80/13/996168013.db2.gz JTUMSCPHFFZYBD-SECBINFHSA-N -1 0 387.439 0.893 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)C[C@@H]1C(=O)[O-] ZINC001598804448 996170984 /nfs/dbraw/zinc/17/09/84/996170984.db2.gz WBXSIEOVGCYZKO-YNEHKIRRSA-N -1 0 380.422 0.744 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001593702935 996177771 /nfs/dbraw/zinc/17/77/71/996177771.db2.gz HNFCFEQCENVJDW-VIFPVBQESA-N -1 0 381.414 0.991 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001593703167 996179292 /nfs/dbraw/zinc/17/92/92/996179292.db2.gz LBCPNVKCSRZRBQ-JTQLQIEISA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC001598805315 996180580 /nfs/dbraw/zinc/18/05/80/996180580.db2.gz WEBXTXLFEFEXIO-PWSUYJOCSA-N -1 0 390.845 0.826 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598805444 996181904 /nfs/dbraw/zinc/18/19/04/996181904.db2.gz CGPGJHYAHVJXOR-KBPBESRZSA-N -1 0 383.445 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805681 996184235 /nfs/dbraw/zinc/18/42/35/996184235.db2.gz CXEKBGKCLMWIBD-RRFJBIMHSA-N -1 0 391.424 0.721 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598805838 996185409 /nfs/dbraw/zinc/18/54/09/996185409.db2.gz AYBNEBJOHDNMTI-QWHCGFSZSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598806165 996189035 /nfs/dbraw/zinc/18/90/35/996189035.db2.gz BVPCNQGYOWBYNW-STQMWFEESA-N -1 0 380.397 0.762 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001598806330 996190308 /nfs/dbraw/zinc/19/03/08/996190308.db2.gz ZUGIFXIGWBYGOV-PYNQCMFNSA-N -1 0 391.442 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598806563 996192948 /nfs/dbraw/zinc/19/29/48/996192948.db2.gz GYSFXEXJHSPBQF-RBSFLKMASA-N -1 0 377.393 0.729 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)C[C@H]1C(=O)[O-] ZINC001598806652 996193715 /nfs/dbraw/zinc/19/37/15/996193715.db2.gz IFFLITJPPZBUCW-OLZOCXBDSA-N -1 0 375.377 0.822 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)C[C@H]1C(=O)[O-] ZINC001598806651 996193741 /nfs/dbraw/zinc/19/37/41/996193741.db2.gz IFFLITJPPZBUCW-CHWSQXEVSA-N -1 0 375.377 0.822 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598806699 996194172 /nfs/dbraw/zinc/19/41/72/996194172.db2.gz ISXFKNIZSVBHAT-SOUVJXGZSA-N -1 0 397.449 0.537 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C[C@@H]1C(=O)[O-] ZINC001598806938 996196427 /nfs/dbraw/zinc/19/64/27/996196427.db2.gz JBIYKLXIYRJZLZ-RWEMILLDSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)C[C@@H]1C(=O)[O-] ZINC001598807179 996197888 /nfs/dbraw/zinc/19/78/88/996197888.db2.gz JKCQRYXHHSNXKB-XQHKEYJVSA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C[C@@H]1C(=O)[O-] ZINC001598807376 996199623 /nfs/dbraw/zinc/19/96/23/996199623.db2.gz MEAXJTVCASZDFJ-LZWOXQAQSA-N -1 0 387.392 0.543 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC001598807327 996199779 /nfs/dbraw/zinc/19/97/79/996199779.db2.gz LXFORSBWMRPOIP-QWHCGFSZSA-N -1 0 381.406 0.325 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC001598807325 996199832 /nfs/dbraw/zinc/19/98/32/996199832.db2.gz LXFORSBWMRPOIP-OLZOCXBDSA-N -1 0 381.406 0.325 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)C[C@H]1C(=O)[O-] ZINC001598807478 996200975 /nfs/dbraw/zinc/20/09/75/996200975.db2.gz JZZJLUJSSISDQH-JHJVBQTASA-N -1 0 377.397 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598807643 996202148 /nfs/dbraw/zinc/20/21/48/996202148.db2.gz MLKYBXZIQZCHKE-WVQJBOLRSA-N -1 0 388.392 0.668 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@H]1C(=O)[O-] ZINC001598807682 996202641 /nfs/dbraw/zinc/20/26/41/996202641.db2.gz JNIIFFKDNUOVSU-ZIAGYGMSSA-N -1 0 391.428 0.400 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598807812 996203148 /nfs/dbraw/zinc/20/31/48/996203148.db2.gz NJBHYTVSRMRSEX-OPRDCNLKSA-N -1 0 394.371 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC001598807831 996203753 /nfs/dbraw/zinc/20/37/53/996203753.db2.gz BVCCPHJCZJNHAB-NWDGAFQWSA-N -1 0 375.381 0.923 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc3c([nH]c2=O)CCCC3)C[C@@H]1C(=O)[O-] ZINC001598808053 996205564 /nfs/dbraw/zinc/20/55/64/996205564.db2.gz KPPBOZCZNOIWCU-STQMWFEESA-N -1 0 377.397 0.681 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598808081 996205576 /nfs/dbraw/zinc/20/55/76/996205576.db2.gz KXOSOVPMPIUGKZ-YSYWSOSGSA-N -1 0 382.438 0.451 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc3c([nH]c2=O)CCCC3)C[C@@H]1C(=O)[O-] ZINC001598808052 996205717 /nfs/dbraw/zinc/20/57/17/996205717.db2.gz KPPBOZCZNOIWCU-QWHCGFSZSA-N -1 0 377.397 0.681 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCN2CCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808083 996205755 /nfs/dbraw/zinc/20/57/55/996205755.db2.gz KYCQJKOCHNNWRU-GJZGRUSLSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808164 996206397 /nfs/dbraw/zinc/20/63/97/996206397.db2.gz OIFYMFRCVQOSFA-LZWOXQAQSA-N -1 0 398.419 0.931 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2COC3(CCCCCC3)O2)C[C@H]1C(=O)[O-] ZINC001598809001 996213707 /nfs/dbraw/zinc/21/37/07/996213707.db2.gz OZBJWXHTZPHLTJ-BFHYXJOUSA-N -1 0 384.429 0.968 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598809084 996215053 /nfs/dbraw/zinc/21/50/53/996215053.db2.gz PHOSKSNMHJSNID-MCIONIFRSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809438 996218132 /nfs/dbraw/zinc/21/81/32/996218132.db2.gz SEHNRFVEQHUBDY-DDTOSNHZSA-N -1 0 383.422 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C[C@H]1C(=O)[O-] ZINC001598809558 996218470 /nfs/dbraw/zinc/21/84/70/996218470.db2.gz IDXVTHGFRDGVLJ-ZIAGYGMSSA-N -1 0 392.383 0.827 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809523 996218709 /nfs/dbraw/zinc/21/87/09/996218709.db2.gz QSOREBMILCYMIT-KBPBESRZSA-N -1 0 398.437 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598809963 996222268 /nfs/dbraw/zinc/22/22/68/996222268.db2.gz SGCLHHWKTINYRE-CHWSQXEVSA-N -1 0 385.417 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598810310 996225446 /nfs/dbraw/zinc/22/54/46/996225446.db2.gz WBEBMHSQRJRTSY-ADEWGFFLSA-N -1 0 396.346 0.650 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598810620 996228471 /nfs/dbraw/zinc/22/84/71/996228471.db2.gz USDWJMUGLLFZFZ-FDYHWXHSSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)C[C@H]1C(=O)[O-] ZINC001598810742 996229412 /nfs/dbraw/zinc/22/94/12/996229412.db2.gz VFSRKRNMLSICKF-QJPTWQEYSA-N -1 0 384.335 0.784 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C[C@H]1C(=O)[O-] ZINC001598810686 996229417 /nfs/dbraw/zinc/22/94/17/996229417.db2.gz XBRMDLCUSJLTOF-RRFJBIMHSA-N -1 0 389.408 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598810847 996230607 /nfs/dbraw/zinc/23/06/07/996230607.db2.gz LXOFWVGTPJGKIY-HUUCEWRRSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccnc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598811260 996233919 /nfs/dbraw/zinc/23/39/19/996233919.db2.gz APNUMVINPJOZPP-NWDGAFQWSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598811818 996238186 /nfs/dbraw/zinc/23/81/86/996238186.db2.gz ZVFYGGQMYZHLCA-OLZOCXBDSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(NC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598811867 996238390 /nfs/dbraw/zinc/23/83/90/996238390.db2.gz XFSICNIOXYCULL-LSDHHAIUSA-N -1 0 377.397 0.703 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598812185 996241337 /nfs/dbraw/zinc/24/13/37/996241337.db2.gz ZMINABORPDZTDW-AEJSXWLSSA-N -1 0 378.307 0.539 20 0 GCADRM C[C@@H](c1cccnc1)N1C(=O)C[C@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719608 996244595 /nfs/dbraw/zinc/24/45/95/996244595.db2.gz PUEFYWPITLZYKB-LRDDRELGSA-N -1 0 398.423 0.897 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C[C@@H]1C(=O)OC ZINC001598813227 996248943 /nfs/dbraw/zinc/24/89/43/996248943.db2.gz UEPHIZKOWBZLBH-QWRGUYRKSA-N -1 0 394.380 0.187 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001598813203 996248968 /nfs/dbraw/zinc/24/89/68/996248968.db2.gz TZWJNZUDMWOEFJ-CHWSQXEVSA-N -1 0 387.392 0.620 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C(=O)[O-] ZINC001598813263 996249217 /nfs/dbraw/zinc/24/92/17/996249217.db2.gz UHQRCARVWXXTLD-LSDHHAIUSA-N -1 0 386.408 0.759 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598813558 996250661 /nfs/dbraw/zinc/25/06/61/996250661.db2.gz GRIGBGDANXMGDM-NWDGAFQWSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598813560 996250815 /nfs/dbraw/zinc/25/08/15/996250815.db2.gz GRIGBGDANXMGDM-RYUDHWBXSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@H]1C(=O)[O-] ZINC001598813597 996251329 /nfs/dbraw/zinc/25/13/29/996251329.db2.gz HVIQAKAUTCZHLS-GHMZBOCLSA-N -1 0 379.369 0.278 20 0 GCADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCNC(=O)CO ZINC001593720698 996252423 /nfs/dbraw/zinc/25/24/23/996252423.db2.gz ZFMLWWWGFJVMKN-GFCCVEGCSA-N -1 0 375.381 0.961 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)C[C@H]1C(=O)[O-] ZINC001598814147 996255031 /nfs/dbraw/zinc/25/50/31/996255031.db2.gz XPCWQKHXEFAFMN-IJLUTSLNSA-N -1 0 388.417 0.248 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598814247 996256301 /nfs/dbraw/zinc/25/63/01/996256301.db2.gz JVZAEPCWIQPLLH-CHWSQXEVSA-N -1 0 388.376 0.829 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598814551 996258945 /nfs/dbraw/zinc/25/89/45/996258945.db2.gz ZGHVIEHBFLCBRR-WDEREUQCSA-N -1 0 383.784 0.986 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)C[C@H]1C(=O)[O-] ZINC001598814709 996259893 /nfs/dbraw/zinc/25/98/93/996259893.db2.gz CSTVNCCNVABCFV-VXGBXAGGSA-N -1 0 378.381 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)C[C@@H]1C(=O)[O-] ZINC001598814994 996262342 /nfs/dbraw/zinc/26/23/42/996262342.db2.gz NYMWAEUDMJLZRL-YUMQZZPRSA-N -1 0 386.202 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C[C@H]1C(=O)[O-] ZINC001598815068 996262976 /nfs/dbraw/zinc/26/29/76/996262976.db2.gz FMGHFNIULGDWOL-VXGBXAGGSA-N -1 0 390.392 0.888 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C[C@H]1C(=O)[O-] ZINC001598815061 996263080 /nfs/dbraw/zinc/26/30/80/996263080.db2.gz FMGHFNIULGDWOL-NEPJUHHUSA-N -1 0 390.392 0.888 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598815217 996265113 /nfs/dbraw/zinc/26/51/13/996265113.db2.gz LTHXECZOCBFXRZ-QWRGUYRKSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001598816265 996273923 /nfs/dbraw/zinc/27/39/23/996273923.db2.gz QMBRYFJLJVLVDT-ZIAGYGMSSA-N -1 0 377.397 0.655 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598816387 996274940 /nfs/dbraw/zinc/27/49/40/996274940.db2.gz SFQAPRNKZBESBU-ZIAGYGMSSA-N -1 0 393.396 0.491 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1C(=O)[O-] ZINC001598816715 996278060 /nfs/dbraw/zinc/27/80/60/996278060.db2.gz SZVUHCXKMCDEAP-YUMQZZPRSA-N -1 0 386.202 0.995 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnc(Br)cn2)C[C@H]1C(=O)[O-] ZINC001598816755 996278749 /nfs/dbraw/zinc/27/87/49/996278749.db2.gz RMHUSPFWLBXFDV-RKDXNWHRSA-N -1 0 387.190 0.254 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598817024 996281300 /nfs/dbraw/zinc/28/13/00/996281300.db2.gz UWJFUHFNWXXVAX-NWDGAFQWSA-N -1 0 390.352 0.080 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598817022 996281405 /nfs/dbraw/zinc/28/14/05/996281405.db2.gz UWJFUHFNWXXVAX-NEPJUHHUSA-N -1 0 390.352 0.080 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)C[C@@H]1C(=O)[O-] ZINC001598817035 996282108 /nfs/dbraw/zinc/28/21/08/996282108.db2.gz UWMHGOQCDJIXLX-VHSXEESVSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@H]1C(=O)[O-] ZINC001598817215 996282996 /nfs/dbraw/zinc/28/29/96/996282996.db2.gz UCNOFICPXPIMGS-LXTVHRRPSA-N -1 0 395.456 0.145 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598817649 996287576 /nfs/dbraw/zinc/28/75/76/996287576.db2.gz WFFBWIRTNSWPOI-NEPJUHHUSA-N -1 0 393.396 0.735 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598817890 996290831 /nfs/dbraw/zinc/29/08/31/996290831.db2.gz WTLDRQLWJBQXOD-AXFHLTTASA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598818480 996297123 /nfs/dbraw/zinc/29/71/23/996297123.db2.gz QSUHSOLHFPAFPJ-UONOGXRCSA-N -1 0 381.406 0.569 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598818641 996299321 /nfs/dbraw/zinc/29/93/21/996299321.db2.gz AAAKBGFRKCLMPJ-VHSXEESVSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598818645 996299380 /nfs/dbraw/zinc/29/93/80/996299380.db2.gz YUQCEJRLQXVDFF-HUUCEWRRSA-N -1 0 391.424 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598818916 996302128 /nfs/dbraw/zinc/30/21/28/996302128.db2.gz MRRVEMJCFNLLMW-UONOGXRCSA-N -1 0 387.392 0.923 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598818923 996302993 /nfs/dbraw/zinc/30/29/93/996302993.db2.gz MSVVRGRUTOWGQG-SNVBAGLBSA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C1 ZINC001598818994 996303698 /nfs/dbraw/zinc/30/36/98/996303698.db2.gz MXSIGFVVRHFUCO-NSHDSACASA-N -1 0 388.417 0.558 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598819136 996305020 /nfs/dbraw/zinc/30/50/20/996305020.db2.gz ZRMJHADZZHDMRY-USZNOCQGSA-N -1 0 385.417 0.557 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC001598819398 996307243 /nfs/dbraw/zinc/30/72/43/996307243.db2.gz OHTLCJABFGATMH-GFCCVEGCSA-N -1 0 388.417 0.558 20 0 GCADRM COC(=O)[C@@H]1CN([C@H](C)c2nc(C)cc(N3CCO[C@@H](C(=O)[O-])C3)n2)CCO1 ZINC001598819888 996313474 /nfs/dbraw/zinc/31/34/74/996313474.db2.gz QKKJCRDPSUEFDY-MCIONIFRSA-N -1 0 394.428 0.010 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H]1C(=O)[O-] ZINC001598820082 996315687 /nfs/dbraw/zinc/31/56/87/996315687.db2.gz RKEBMPUXEXUVIN-RNFRBKRXSA-N -1 0 397.377 0.690 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598820359 996318814 /nfs/dbraw/zinc/31/88/14/996318814.db2.gz WOSFKUPQEQYAGK-WDEREUQCSA-N -1 0 389.813 0.689 20 0 GCADRM C[C@H](c1ncc(Br)cn1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593734438 996324252 /nfs/dbraw/zinc/32/42/52/996324252.db2.gz VSJCZPLVTYYIQW-PSASIEDQSA-N -1 0 378.248 0.874 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1C(=O)[O-] ZINC001598821171 996329101 /nfs/dbraw/zinc/32/91/01/996329101.db2.gz JOYLZLUZSLDZNQ-NEPJUHHUSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598821251 996329800 /nfs/dbraw/zinc/32/98/00/996329800.db2.gz ZNKKWGRJFYKVBG-NWDGAFQWSA-N -1 0 395.799 0.815 20 0 GCADRM C[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C[C@H]1CCOC1)C(C)(C)O ZINC001593737073 996331677 /nfs/dbraw/zinc/33/16/77/996331677.db2.gz BWAJOMXTBYEWQI-RQJABVFESA-N -1 0 382.461 0.867 20 0 GCADRM C[C@H](c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C[C@H]1CCOC1)C(C)(C)O ZINC001593737398 996334807 /nfs/dbraw/zinc/33/48/07/996334807.db2.gz GRXSOLIONZGYLK-MGPQQGTHSA-N -1 0 382.461 0.869 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001593737393 996335028 /nfs/dbraw/zinc/33/50/28/996335028.db2.gz NOACWVISYJFEMY-XQQFMLRXSA-N -1 0 380.470 0.718 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2coc3c2C(=O)NCC(C)(C)C3)C[C@@H]1C(=O)[O-] ZINC001598821771 996335902 /nfs/dbraw/zinc/33/59/02/996335902.db2.gz LXXUFMAQDFJQKJ-UWVGGRQHSA-N -1 0 378.381 0.538 20 0 GCADRM COC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001598821856 996337035 /nfs/dbraw/zinc/33/70/35/996337035.db2.gz MSNMXWPZOLOWIE-KGLIPLIRSA-N -1 0 389.408 0.323 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598821935 996338698 /nfs/dbraw/zinc/33/86/98/996338698.db2.gz MUFAETNSTDWAAI-NXEZZACHSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccccc2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598822264 996341934 /nfs/dbraw/zinc/34/19/34/996341934.db2.gz PBGLIODPBYSFKY-HOTGVXAUSA-N -1 0 376.409 0.465 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C[C@H]1C(=O)[O-] ZINC001598822887 996349575 /nfs/dbraw/zinc/34/95/75/996349575.db2.gz UDKVWLHNXFTQSE-NEPJUHHUSA-N -1 0 376.344 0.661 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@@H]1C(=O)[O-] ZINC001598823602 996357606 /nfs/dbraw/zinc/35/76/06/996357606.db2.gz WXOKCMULQIGMAP-NKWVEPMBSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)C[C@H]1C(=O)[O-] ZINC001598823949 996361013 /nfs/dbraw/zinc/36/10/13/996361013.db2.gz DWHWUTLPKGGLDI-ZJUUUORDSA-N -1 0 377.802 0.843 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598824024 996361855 /nfs/dbraw/zinc/36/18/55/996361855.db2.gz FTDDZZAFCMNVLF-VXGBXAGGSA-N -1 0 389.357 0.107 20 0 GCADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001598824744 996369951 /nfs/dbraw/zinc/36/99/51/996369951.db2.gz JHVZORKOHRJEEC-VIFPVBQESA-N -1 0 384.385 0.827 20 0 GCADRM COC(=O)[C@@H]1CSCCN1CCOCCN1CCSC[C@@H]1C(=O)[O-] ZINC001598824872 996371167 /nfs/dbraw/zinc/37/11/67/996371167.db2.gz KXIOUQBJZCPDDY-OLZOCXBDSA-N -1 0 378.516 0.095 20 0 GCADRM COC(=O)[C@H]1CN(c2nnc(COc3ccccc3F)n2C)C[C@@H]1C(=O)[O-] ZINC001598824997 996372698 /nfs/dbraw/zinc/37/26/98/996372698.db2.gz BIOMJMZWPSUWFL-QWRGUYRKSA-N -1 0 378.360 0.843 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(COc3ccccc3F)n2C)C[C@H]1C(=O)[O-] ZINC001598824991 996373000 /nfs/dbraw/zinc/37/30/00/996373000.db2.gz BIOMJMZWPSUWFL-GHMZBOCLSA-N -1 0 378.360 0.843 20 0 GCADRM COC(=O)[C@@H]1CSCCN1C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598825677 996379230 /nfs/dbraw/zinc/37/92/30/996379230.db2.gz PNRYKIUKOSUVFD-MNOVXSKESA-N -1 0 390.458 0.862 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001598825649 996379635 /nfs/dbraw/zinc/37/96/35/996379635.db2.gz PKMRSWOOYUSQQN-NSHDSACASA-N -1 0 375.424 0.673 20 0 GCADRM C[C@@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)Oc2ccccc2NC1=O ZINC001593748554 996381149 /nfs/dbraw/zinc/38/11/49/996381149.db2.gz XZVDJDJVOUMRQV-RTBURBONSA-N -1 0 389.408 0.164 20 0 GCADRM COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598825880 996381770 /nfs/dbraw/zinc/38/17/70/996381770.db2.gz FYUOMMXOEJXRSS-LLVKDONJSA-N -1 0 376.818 0.564 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598826281 996386235 /nfs/dbraw/zinc/38/62/35/996386235.db2.gz HWUONMOJSQUPAU-HZSPNIEDSA-N -1 0 380.445 0.823 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598826282 996386448 /nfs/dbraw/zinc/38/64/48/996386448.db2.gz HWUONMOJSQUPAU-MELADBBJSA-N -1 0 380.445 0.823 20 0 GCADRM COC(=O)[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H]1C(=O)[O-] ZINC001598826498 996388471 /nfs/dbraw/zinc/38/84/71/996388471.db2.gz IAWIHRNLAACCHY-QWHCGFSZSA-N -1 0 386.426 0.370 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C[C@@H]1C(=O)OC ZINC001598826685 996390153 /nfs/dbraw/zinc/39/01/53/996390153.db2.gz OGHOPQXDUVNAJS-UWVGGRQHSA-N -1 0 389.357 0.107 20 0 GCADRM C[C@]1(C(=O)N[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)CCCS1(=O)=O ZINC001593749860 996391796 /nfs/dbraw/zinc/39/17/96/996391796.db2.gz UMGSASAQXZYIJU-CXAGYDPISA-N -1 0 380.422 0.722 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc2O1 ZINC001598827668 996400448 /nfs/dbraw/zinc/40/04/48/996400448.db2.gz NXGTWVVAJLFGAR-CYBMUJFWSA-N -1 0 381.366 0.097 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598827694 996401532 /nfs/dbraw/zinc/40/15/32/996401532.db2.gz OAPCUUFUGKWIHC-RKDXNWHRSA-N -1 0 378.790 0.238 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2C[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598827914 996404127 /nfs/dbraw/zinc/40/41/27/996404127.db2.gz OLELRQRGGBSLNL-KWCYVHTRSA-N -1 0 378.429 0.892 20 0 GCADRM C[C@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001593756235 996406950 /nfs/dbraw/zinc/40/69/50/996406950.db2.gz JIENPCPDWDLWKB-NXEZDXNNSA-N -1 0 376.409 0.985 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1C(=O)[O-] ZINC001598828309 996408605 /nfs/dbraw/zinc/40/86/05/996408605.db2.gz QLYPYUDCHVHMPI-ZIAGYGMSSA-N -1 0 391.405 0.638 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)C[C@@H]1C(=O)[O-] ZINC001598828402 996409580 /nfs/dbraw/zinc/40/95/80/996409580.db2.gz RINSAJLHOJUANC-KBPBESRZSA-N -1 0 382.438 0.169 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H](OC)c3cccs3)n2C)C[C@H]1C(=O)[O-] ZINC001598828640 996411717 /nfs/dbraw/zinc/41/17/17/996411717.db2.gz RWYBGEFXXHFIGQ-FOGDFJRCSA-N -1 0 380.426 0.922 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598829222 996418223 /nfs/dbraw/zinc/41/82/23/996418223.db2.gz UDCFXJPRNHWXQZ-RWMBFGLXSA-N -1 0 380.445 0.922 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@H]3CCCN3C)n2CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598829963 996425872 /nfs/dbraw/zinc/42/58/72/996425872.db2.gz WEZOPCMNMRWYLE-BFHYXJOUSA-N -1 0 377.445 0.765 20 0 GCADRM COC(=O)[C@@H]1CN(c2cc(C)nc([C@H](C)N3CCO[C@@H](C(=O)[O-])C3)n2)CCO1 ZINC001598830511 996431413 /nfs/dbraw/zinc/43/14/13/996431413.db2.gz YGBMWOSBXQVSAF-MJBXVCDLSA-N -1 0 394.428 0.010 20 0 GCADRM 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998344848 /nfs/dbraw/zinc/34/48/48/998344848.db2.gz WSINLLKNFOMYBG-NSPYISDASA-N -1 0 389.408 0.710 20 0 GCADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC001599366909 998348870 /nfs/dbraw/zinc/34/88/70/998348870.db2.gz CYZBRMHWOGENJE-VXGBXAGGSA-N -1 0 379.413 0.557 20 0 GCADRM COCCOc1ccc(CNS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1 ZINC001599258695 998349057 /nfs/dbraw/zinc/34/90/57/998349057.db2.gz JJNRARLHRPLEAF-UHFFFAOYSA-N -1 0 385.373 0.818 20 0 GCADRM COC[C@@](C)(NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC001599154598 998349987 /nfs/dbraw/zinc/34/99/87/998349987.db2.gz PDSRDYDWSAFIMT-QGZVFWFLSA-N -1 0 399.469 0.489 20 0 GCADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001599367332 998356053 /nfs/dbraw/zinc/35/60/53/998356053.db2.gz UOOYXBAPZWHAEE-GJZGRUSLSA-N -1 0 393.440 0.871 20 0 GCADRM COC[C@](C)(NCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(=O)[O-] ZINC001599154911 998356536 /nfs/dbraw/zinc/35/65/36/998356536.db2.gz ZZPGMPDMDVNHSO-IBGZPJMESA-N 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998374413 /nfs/dbraw/zinc/37/44/13/998374413.db2.gz XHFABXWSDSOFCY-LBPRGKRZSA-N -1 0 382.232 0.823 20 0 GCADRM COC[C@@](C)(O)c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1C[C@@H]1CCOC1 ZINC001599156091 998374911 /nfs/dbraw/zinc/37/49/11/998374911.db2.gz XOIQXISDWLKYHK-KYZVSKTDSA-N -1 0 382.461 0.716 20 0 GCADRM COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001599571620 998375309 /nfs/dbraw/zinc/37/53/09/998375309.db2.gz UBVTUDKFSCOXNF-YGRLFVJLSA-N -1 0 386.426 0.194 20 0 GCADRM COCCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001599260705 998380272 /nfs/dbraw/zinc/38/02/72/998380272.db2.gz WWYOTJKMQUSHCR-BFUOFWGJSA-N -1 0 378.425 0.897 20 0 GCADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCc2ncc3c(n2)CCC3)c1 ZINC001598963781 998380479 /nfs/dbraw/zinc/38/04/79/998380479.db2.gz OSRWHMSWUXWPNN-UHFFFAOYSA-N -1 0 391.405 0.929 20 0 GCADRM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCc2cnc(C)cn2)c1 ZINC001598964176 998385959 /nfs/dbraw/zinc/38/59/59/998385959.db2.gz 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C[C@H]1OCCC[C@@H]1C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000480498203 530766418 /nfs/dbraw/zinc/76/64/18/530766418.db2.gz HMBRNZZBNCBERL-PWSUYJOCSA-N -1 0 387.424 0.779 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000372307792 530766779 /nfs/dbraw/zinc/76/67/79/530766779.db2.gz GPGLPLVGORNRBW-NSHDSACASA-N -1 0 376.456 0.334 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCOc1ncccc1C(F)(F)F ZINC000581941484 530767064 /nfs/dbraw/zinc/76/70/64/530767064.db2.gz MLVZCGXNDQLDNK-JTQLQIEISA-N -1 0 383.348 0.863 20 0 GCADRM CS(=O)(=O)c1cccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C(=O)[O-])c1 ZINC000581939055 530767140 /nfs/dbraw/zinc/76/71/40/530767140.db2.gz ILQNJWZTFHBIJN-CQSZACIVSA-N -1 0 384.435 0.722 20 0 GCADRM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1cccs1 ZINC000480639906 530767662 /nfs/dbraw/zinc/76/76/62/530767662.db2.gz UIAZFYLOEQQJHY-GFCCVEGCSA-N -1 0 390.464 0.739 20 0 GCADRM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000022410850 530767676 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CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000400242466 530813364 /nfs/dbraw/zinc/81/33/64/530813364.db2.gz IRXNGGDPDDPNMR-CYBMUJFWSA-N -1 0 376.456 0.228 20 0 GCADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400251946 530813469 /nfs/dbraw/zinc/81/34/69/530813469.db2.gz OIMFOYZBMCNYIY-NSHDSACASA-N -1 0 394.446 0.535 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000487766512 530814822 /nfs/dbraw/zinc/81/48/22/530814822.db2.gz BEGWBFRONUGDKD-LBPRGKRZSA-N -1 0 376.818 0.726 20 0 GCADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000655995237 530816520 /nfs/dbraw/zinc/81/65/20/530816520.db2.gz AOQYWAYTIHHQJV-NSHDSACASA-N -1 0 390.483 0.631 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1COc2cc(F)c(Br)cc21)C(=O)[O-] ZINC000655996265 530816612 /nfs/dbraw/zinc/81/66/12/530816612.db2.gz OWTLSHZVAFOKAU-WKEGUHRASA-N -1 0 389.177 0.975 20 0 GCADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CCOC)n1 ZINC000488244265 530816801 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Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCOC2)c1C ZINC000349586575 530897064 /nfs/dbraw/zinc/89/70/64/530897064.db2.gz BZUJULNREIZUFH-CYBMUJFWSA-N -1 0 395.503 0.769 20 0 GCADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)NCc1snnc1C ZINC000349590774 530897687 /nfs/dbraw/zinc/89/76/87/530897687.db2.gz KCQXXFMFKDXMTL-UHFFFAOYSA-N -1 0 395.488 0.394 20 0 GCADRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)no1 ZINC000349608165 530911402 /nfs/dbraw/zinc/91/14/02/530911402.db2.gz GSSNRMDBAGOQIG-ZYHUDNBSSA-N -1 0 381.476 0.290 20 0 GCADRM CO[C@H](C)c1nc(=NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)s[n-]1 ZINC000511075831 530933284 /nfs/dbraw/zinc/93/32/84/530933284.db2.gz JZVRLSYYXGTTMW-MRVPVSSYSA-N -1 0 381.439 0.971 20 0 GCADRM C[C@@H](O)C[C@H](C)NC(=O)NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000527095293 530933782 /nfs/dbraw/zinc/93/37/82/530933782.db2.gz HWPJJHLQSLFYDJ-VHSXEESVSA-N -1 0 390.428 0.306 20 0 GCADRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)c1 ZINC000511193988 530933997 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O=S(=O)(CCCCS(=O)(=O)N1CCC[C@@H](CO)CC1)[N-]c1ccon1 ZINC000349621028 530913218 /nfs/dbraw/zinc/91/32/18/530913218.db2.gz QFOIXFWXLNTJBG-CYBMUJFWSA-N -1 0 395.503 0.621 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCCC[C@H]1O)[N-]c1ccon1 ZINC000349623253 530913642 /nfs/dbraw/zinc/91/36/42/530913642.db2.gz WSAQUIJFBDBZGY-VXGBXAGGSA-N -1 0 381.476 0.419 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccn2)[C@@H]1CO ZINC000349623814 530913733 /nfs/dbraw/zinc/91/37/33/530913733.db2.gz SZILLNBMWZMWIE-QWHCGFSZSA-N -1 0 392.503 0.031 20 0 GCADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](O)CC2)s1 ZINC000349623268 530913776 /nfs/dbraw/zinc/91/37/76/530913776.db2.gz WSRKJYQRKJLJSB-XYPYZODXSA-N -1 0 398.532 0.201 20 0 GCADRM C[C@]1(CO)CCCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1nccs1 ZINC000349622900 530913879 /nfs/dbraw/zinc/91/38/79/530913879.db2.gz RYHPBNUACRCPMQ-CYBMUJFWSA-N -1 0 397.544 0.842 20 0 GCADRM CCc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](C)[C@@H]2C)n[nH]1 ZINC000349630692 530914169 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0.686 20 0 GCADRM COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1NS(C)(=O)=O ZINC000509566499 530919163 /nfs/dbraw/zinc/91/91/63/530919163.db2.gz FPLVMTMOBHBXOB-UHFFFAOYSA-N -1 0 389.411 0.894 20 0 GCADRM CC(C)[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000583869660 530919429 /nfs/dbraw/zinc/91/94/29/530919429.db2.gz CVVOHKLFAGTAES-CQSZACIVSA-N -1 0 376.456 0.455 20 0 GCADRM COCCn1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000509602165 530919453 /nfs/dbraw/zinc/91/94/53/530919453.db2.gz MSZONPBBUUGCNY-UHFFFAOYSA-N -1 0 388.471 0.581 20 0 GCADRM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509661299 530919645 /nfs/dbraw/zinc/91/96/45/530919645.db2.gz MCKHXWAJSNGKPS-MRVPVSSYSA-N -1 0 385.423 0.500 20 0 GCADRM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CCN1S(C)(=O)=O ZINC000584621802 530920725 /nfs/dbraw/zinc/92/07/25/530920725.db2.gz CVRUBPZHPCQJTB-VIFPVBQESA-N -1 0 396.874 0.693 20 0 GCADRM COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000392279436 530922133 /nfs/dbraw/zinc/92/21/33/530922133.db2.gz QLGABVZFIZIRPB-UHFFFAOYSA-N -1 0 383.407 0.990 20 0 GCADRM Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)ccc1C(=O)[O-] ZINC000584716066 530922660 /nfs/dbraw/zinc/92/26/60/530922660.db2.gz AASAQJIFPBHKRH-KGLIPLIRSA-N -1 0 390.483 0.832 20 0 GCADRM CC(C)(CCS(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)S(C)(=O)=O ZINC000584778153 530923629 /nfs/dbraw/zinc/92/36/29/530923629.db2.gz OSQJGWDXHHPQNU-GFCCVEGCSA-N -1 0 385.504 0.485 20 0 GCADRM CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)s1 ZINC000610796777 530923757 /nfs/dbraw/zinc/92/37/57/530923757.db2.gz NSZLMCZGPRHCFS-UHFFFAOYSA-N -1 0 382.423 0.802 20 0 GCADRM CCOC(=O)c1nnc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)s1 ZINC000610796775 530923781 /nfs/dbraw/zinc/92/37/81/530923781.db2.gz MVZJZBIRBULOTB-UHFFFAOYSA-N -1 0 392.440 0.163 20 0 GCADRM NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000392886766 530924300 /nfs/dbraw/zinc/92/43/00/530924300.db2.gz LFEZESWEENYPQX-CQSZACIVSA-N -1 0 384.435 0.481 20 0 GCADRM O=C([O-])CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000584878786 530925365 /nfs/dbraw/zinc/92/53/65/530925365.db2.gz KWPCPURRTJLEKO-UHFFFAOYSA-N -1 0 386.760 0.811 20 0 GCADRM CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)c1ccc3nncn3c1)CC2 ZINC000584855264 530925371 /nfs/dbraw/zinc/92/53/71/530925371.db2.gz SYLJXYHHEOJANU-UHFFFAOYSA-N -1 0 378.439 0.756 20 0 GCADRM CC(C)(NS(C)(=O)=O)c1noc(-c2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000624558545 530926246 /nfs/dbraw/zinc/92/62/46/530926246.db2.gz BESZYBFXLDYTCJ-UHFFFAOYSA-N -1 0 375.432 0.287 20 0 GCADRM COc1ccc(CNS(=O)(=O)CC2CCS(=O)(=O)CC2)cc1C(=O)[O-] ZINC000517027575 530957477 /nfs/dbraw/zinc/95/74/77/530957477.db2.gz MXTRMOKUVJOGIE-UHFFFAOYSA-N -1 0 391.467 0.638 20 0 GCADRM C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C[C@H](C(=O)[O-])O1 ZINC000262106078 530957680 /nfs/dbraw/zinc/95/76/80/530957680.db2.gz DDRQNAQQPLHKPS-IJLUTSLNSA-N -1 0 388.467 0.602 20 0 GCADRM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000517365471 530960733 /nfs/dbraw/zinc/96/07/33/530960733.db2.gz DEGCBQYKNGTQCB-LBPRGKRZSA-N -1 0 393.483 0.984 20 0 GCADRM COC(=O)COc1cccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1 ZINC000517480255 530961327 /nfs/dbraw/zinc/96/13/27/530961327.db2.gz QEVVATHAOPRMCY-UHFFFAOYSA-N -1 0 386.411 0.714 20 0 GCADRM CCOC(=O)Cn1cnc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)n1 ZINC000425109489 530938178 /nfs/dbraw/zinc/93/81/78/530938178.db2.gz SPQMFUKWMNQOER-UHFFFAOYSA-N -1 0 387.443 0.405 20 0 GCADRM COC(=O)[C@H](CO)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000511723617 530939546 /nfs/dbraw/zinc/93/95/46/530939546.db2.gz RCVBMLQGGKKWLV-LBPRGKRZSA-N -1 0 384.435 0.813 20 0 GCADRM CN(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])C(=O)c1ccc(Br)o1 ZINC000263262274 530941543 /nfs/dbraw/zinc/94/15/43/530941543.db2.gz GPMNAJDCMCFKPB-VIFPVBQESA-N -1 0 389.202 0.816 20 0 GCADRM CO[C@@H](CS(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)C ZINC000645709343 530941547 /nfs/dbraw/zinc/94/15/47/530941547.db2.gz NFDQFTBHTSRDQV-UWVGGRQHSA-N -1 0 384.442 0.399 20 0 GCADRM CN(CC(=O)N1CCOC[C@H]1CC(=O)[O-])C(=O)c1ccc(Br)o1 ZINC000263262266 530941797 /nfs/dbraw/zinc/94/17/97/530941797.db2.gz GPMNAJDCMCFKPB-SECBINFHSA-N -1 0 389.202 0.816 20 0 GCADRM NC(=O)[C@H](CO)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000512762989 530945420 /nfs/dbraw/zinc/94/54/20/530945420.db2.gz HKQNCDXWJZUOJM-LBPRGKRZSA-N -1 0 383.451 0.054 20 0 GCADRM CCc1nnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)s1 ZINC000564102873 530947972 /nfs/dbraw/zinc/94/79/72/530947972.db2.gz UVUGRSDQKGBEPB-UHFFFAOYSA-N -1 0 392.484 0.172 20 0 GCADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000564106831 530948898 /nfs/dbraw/zinc/94/88/98/530948898.db2.gz FDRUOZIRFPVYGX-UHFFFAOYSA-N -1 0 396.493 0.894 20 0 GCADRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000325394454 530950415 /nfs/dbraw/zinc/95/04/15/530950415.db2.gz NJBKLOZWYVMVMV-SECBINFHSA-N -1 0 397.858 0.608 20 0 GCADRM 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CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000422655202 1194682763 /nfs/dbraw/zinc/68/27/63/1194682763.db2.gz YUMFBLXSRYGOTH-NEPJUHHUSA-N -1 0 399.469 0.822 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)[O-] ZINC000422657160 1194682883 /nfs/dbraw/zinc/68/28/83/1194682883.db2.gz IICMWEUUEJTEQY-NSHDSACASA-N -1 0 399.329 1.450 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)[O-] ZINC000422658868 1194682895 /nfs/dbraw/zinc/68/28/95/1194682895.db2.gz VULHMGQNJWDNQN-AWEZNQCLSA-N -1 0 399.469 0.927 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000422657547 1194682983 /nfs/dbraw/zinc/68/29/83/1194682983.db2.gz ATZYIGBLKRRVGG-KGLIPLIRSA-N -1 0 375.381 0.818 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000422657748 1194683153 /nfs/dbraw/zinc/68/31/53/1194683153.db2.gz AYORCQFBVHBTOH-GFCCVEGCSA-N -1 0 399.400 0.281 20 0 GCADRM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000422679606 1194683333 /nfs/dbraw/zinc/68/33/33/1194683333.db2.gz VMAFWJGRPXKCJN-MRXNPFEDSA-N -1 0 386.788 0.796 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C)n1 ZINC000422679447 1194683336 /nfs/dbraw/zinc/68/33/36/1194683336.db2.gz UKTMGAUCQVVFDS-KGLIPLIRSA-N -1 0 376.413 0.463 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000422658382 1194683341 /nfs/dbraw/zinc/68/33/41/1194683341.db2.gz RGNOVOMTFLOQPL-AWEZNQCLSA-N -1 0 397.453 0.681 20 0 GCADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422680799 1194683355 /nfs/dbraw/zinc/68/33/55/1194683355.db2.gz COUDWUKIBZHUPC-HXPMCKFVSA-N -1 0 389.408 0.593 20 0 GCADRM CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])cc21 ZINC000422664607 1194683377 /nfs/dbraw/zinc/68/33/77/1194683377.db2.gz SIWDZBAHBNOVSI-AWEZNQCLSA-N -1 0 386.408 0.744 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000422658412 1194683534 /nfs/dbraw/zinc/68/35/34/1194683534.db2.gz RSXAHTBZOQEVPM-NSHDSACASA-N -1 0 392.380 0.922 20 0 GCADRM CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000422658450 1194683556 /nfs/dbraw/zinc/68/35/56/1194683556.db2.gz CYNNUROOQUPYPS-ZDUSSCGKSA-N -1 0 383.426 0.387 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccccc1Cn1cncn1)C2 ZINC000422680876 1194683732 /nfs/dbraw/zinc/68/37/32/1194683732.db2.gz DESHCIZKIKGNMB-IFXJQAMLSA-N -1 0 383.408 0.978 20 0 GCADRM COC(=O)c1c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])sc2c1CCCCC2 ZINC000422680476 1194683830 /nfs/dbraw/zinc/68/38/30/1194683830.db2.gz ZDZGMSIXBJQTNW-QGZVFWFLSA-N -1 0 398.437 0.694 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422681727 1194683861 /nfs/dbraw/zinc/68/38/61/1194683861.db2.gz AIXYUVNBRIDZHG-MNOVXSKESA-N -1 0 383.426 0.102 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000422681639 1194683867 /nfs/dbraw/zinc/68/38/67/1194683867.db2.gz ACLAIWYRCKYRIZ-VXGBXAGGSA-N -1 0 377.397 0.449 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1=O ZINC000422680241 1194683910 /nfs/dbraw/zinc/68/39/10/1194683910.db2.gz YOLFNEFBCKGXQX-CABCVRRESA-N -1 0 386.408 0.933 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000422684037 1194684174 /nfs/dbraw/zinc/68/41/74/1194684174.db2.gz FNZQBBCIQOQNSA-LBPRGKRZSA-N -1 0 399.469 0.835 20 0 GCADRM COCCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422683239 1194684205 /nfs/dbraw/zinc/68/42/05/1194684205.db2.gz CHOKGFZQHILCQC-JSGCOSHPSA-N -1 0 391.424 0.571 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422684006 1194684213 /nfs/dbraw/zinc/68/42/13/1194684213.db2.gz NZMJZACIEOYVCT-APPDUMDISA-N -1 0 395.437 0.247 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)C1 ZINC000422684987 1194684227 /nfs/dbraw/zinc/68/42/27/1194684227.db2.gz FZTYZEWMGWFDPP-ZETOZRRWSA-N -1 0 375.381 0.419 20 0 GCADRM COC(=O)Cn1ncc(NC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000422684598 1194684232 /nfs/dbraw/zinc/68/42/32/1194684232.db2.gz PLMPZHMIGGZMIM-NSHDSACASA-N -1 0 382.417 0.699 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000422684036 1194684234 /nfs/dbraw/zinc/68/42/34/1194684234.db2.gz FNZQBBCIQOQNSA-GFCCVEGCSA-N -1 0 399.469 0.835 20 0 GCADRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000422684389 1194684299 /nfs/dbraw/zinc/68/42/99/1194684299.db2.gz GQPJQFFEBRUWCS-VIFPVBQESA-N -1 0 382.369 0.608 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000422683294 1194684307 /nfs/dbraw/zinc/68/43/07/1194684307.db2.gz CJNZFVYKUACRQD-VXGBXAGGSA-N -1 0 397.453 0.445 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000422685650 1194684319 /nfs/dbraw/zinc/68/43/19/1194684319.db2.gz HBZQUTUPNWKMSK-GHMZBOCLSA-N -1 0 398.437 0.606 20 0 GCADRM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)[O-] ZINC000422686257 1194684512 /nfs/dbraw/zinc/68/45/12/1194684512.db2.gz SVNQQZDAMVSBAI-GFCCVEGCSA-N -1 0 389.412 0.996 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1C)C(=O)[O-] ZINC000422666475 1194684918 /nfs/dbraw/zinc/68/49/18/1194684918.db2.gz JAFXLKNIRJGDCO-BONVTDFDSA-N -1 0 379.413 0.674 20 0 GCADRM COC(=O)c1scc(C)c1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422667967 1194684949 /nfs/dbraw/zinc/68/49/49/1194684949.db2.gz BJNCFSCAVITHJJ-VIFPVBQESA-N -1 0 399.425 0.219 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2)C(=O)[O-] ZINC000422667050 1194685030 /nfs/dbraw/zinc/68/50/30/1194685030.db2.gz PJYBPERJWFWQLJ-SDBXPKJASA-N -1 0 380.353 0.756 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000422665991 1194685049 /nfs/dbraw/zinc/68/50/49/1194685049.db2.gz CBAWWDBWGDHMPF-NHYWBVRUSA-N -1 0 379.413 0.708 20 0 GCADRM CCOc1cc(F)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422667944 1194685149 /nfs/dbraw/zinc/68/51/49/1194685149.db2.gz BGSZYONGPUPBRL-JTQLQIEISA-N -1 0 383.376 0.601 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)CCCC2)[C@@H](C)C(=O)[O-] ZINC000422667850 1194685459 /nfs/dbraw/zinc/68/54/59/1194685459.db2.gz ASYQQJDXJABSBJ-VIFPVBQESA-N -1 0 382.442 0.398 20 0 GCADRM CSCCc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000422667812 1194685474 /nfs/dbraw/zinc/68/54/74/1194685474.db2.gz AMPXGPBCMYOQRX-LBPRGKRZSA-N -1 0 395.481 0.968 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc(OC)c1 ZINC000422668058 1194685489 /nfs/dbraw/zinc/68/54/89/1194685489.db2.gz BYUJIJCCFLJXIX-JTQLQIEISA-N -1 0 381.385 0.080 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1)[C@H](C)C(=O)[O-] ZINC000422670748 1194685714 /nfs/dbraw/zinc/68/57/14/1194685714.db2.gz LCJDQMAWGGSVLV-GFCCVEGCSA-N -1 0 387.396 0.249 20 0 GCADRM COc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1Cl ZINC000422669363 1194685787 /nfs/dbraw/zinc/68/57/87/1194685787.db2.gz HIXYUJGAYPXBFY-SECBINFHSA-N -1 0 385.804 0.725 20 0 GCADRM COc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1Cl ZINC000422669364 1194685834 /nfs/dbraw/zinc/68/58/34/1194685834.db2.gz HIXYUJGAYPXBFY-VIFPVBQESA-N -1 0 385.804 0.725 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000422669719 1194685861 /nfs/dbraw/zinc/68/58/61/1194685861.db2.gz FEBWQSCKFQSWCF-LBPRGKRZSA-N -1 0 389.408 0.484 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C(=O)C(C)C)cc1)[C@H](C)C(=O)[O-] ZINC000422670649 1194685869 /nfs/dbraw/zinc/68/58/69/1194685869.db2.gz KWSHWBGVZCEORU-GFCCVEGCSA-N -1 0 391.424 0.902 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@H](C)C(=O)[O-] ZINC000422672056 1194685895 /nfs/dbraw/zinc/68/58/95/1194685895.db2.gz PKKUFXJCTTZGGE-GFCCVEGCSA-N -1 0 387.396 0.249 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000422669233 1194685952 /nfs/dbraw/zinc/68/59/52/1194685952.db2.gz HFVYDFYTIOLXJN-AWEZNQCLSA-N -1 0 397.453 0.925 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OC(F)F)c1)[C@H](C)C(=O)[O-] ZINC000422672477 1194686118 /nfs/dbraw/zinc/68/61/18/1194686118.db2.gz QJUGJQJQJNCZDF-SECBINFHSA-N -1 0 387.339 0.664 20 0 GCADRM CCCCn1ncc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1C ZINC000422671332 1194686308 /nfs/dbraw/zinc/68/63/08/1194686308.db2.gz NABNTDNCGXODLA-GFCCVEGCSA-N -1 0 381.433 0.368 20 0 GCADRM COc1cc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c(C)c1C ZINC000422671983 1194686376 /nfs/dbraw/zinc/68/63/76/1194686376.db2.gz PFLBGXKROVWDIZ-CYBMUJFWSA-N -1 0 393.440 0.997 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1OC ZINC000422673976 1194686552 /nfs/dbraw/zinc/68/65/52/1194686552.db2.gz VDXFRRFDHZUOAT-NSHDSACASA-N -1 0 395.412 0.470 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000422673604 1194686570 /nfs/dbraw/zinc/68/65/70/1194686570.db2.gz UGWPOHIQVCSOLJ-ZDUSSCGKSA-N -1 0 385.442 0.635 20 0 GCADRM CCOC(=O)c1ccccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422673188 1194686605 /nfs/dbraw/zinc/68/66/05/1194686605.db2.gz SMOZDIXSXUEGBF-NSHDSACASA-N -1 0 393.396 0.240 20 0 GCADRM COc1cc(SC)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422673186 1194686638 /nfs/dbraw/zinc/68/66/38/1194686638.db2.gz SMLLJZIRSOJPTQ-SNVBAGLBSA-N -1 0 397.453 0.793 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000422673171 1194686656 /nfs/dbraw/zinc/68/66/56/1194686656.db2.gz SKSLEQDCORIGKI-LBPRGKRZSA-N -1 0 385.442 0.781 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000422674889 1194686681 /nfs/dbraw/zinc/68/66/81/1194686681.db2.gz XLOATKOCKFAORK-NSHDSACASA-N -1 0 389.405 0.432 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc(OC)c1C ZINC000422673951 1194686706 /nfs/dbraw/zinc/68/67/06/1194686706.db2.gz VACVFOOGZXYBIK-LLVKDONJSA-N -1 0 395.412 0.389 20 0 GCADRM CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000422672264 1194686713 /nfs/dbraw/zinc/68/67/13/1194686713.db2.gz MOZCVYXTBJQNET-GFCCVEGCSA-N -1 0 383.426 0.341 20 0 GCADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000422672358 1194686777 /nfs/dbraw/zinc/68/67/77/1194686777.db2.gz BIYXUYIERTYJFJ-SGMGOOAPSA-N -1 0 376.413 0.709 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000422675895 1194687222 /nfs/dbraw/zinc/68/72/22/1194687222.db2.gz CIXROXINIBVLPP-JQWIXIFHSA-N -1 0 382.804 0.500 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(Cl)cc(F)c1F)[C@@H](C)C(=O)[O-] ZINC000422674230 1194687242 /nfs/dbraw/zinc/68/72/42/1194687242.db2.gz WATSCOFCYNLBCL-ZETCQYMHSA-N -1 0 391.758 0.995 20 0 GCADRM 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CNC(=O)c1cccc(CNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001593798788 954840210 /nfs/dbraw/zinc/84/02/10/954840210.db2.gz XPLIJLVDBNSCEU-AWEZNQCLSA-N -1 0 376.413 0.311 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])ccc1OC ZINC001593799069 954845014 /nfs/dbraw/zinc/84/50/14/954845014.db2.gz OHAOJBMGLTUHMH-ZDUSSCGKSA-N -1 0 393.421 0.424 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cn1 ZINC001593801441 954850361 /nfs/dbraw/zinc/85/03/61/954850361.db2.gz BYCMSFJIXZUPAW-CQSZACIVSA-N -1 0 375.406 0.814 20 0 GCADRM CNS(=O)(=O)c1ccc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nc1 ZINC001593801340 954850521 /nfs/dbraw/zinc/85/05/21/954850521.db2.gz NNIVYZZBQIPNHL-GFCCVEGCSA-N -1 0 379.398 0.202 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c1C ZINC001593801778 954854404 /nfs/dbraw/zinc/85/44/04/954854404.db2.gz VPHRCZSDTADXFP-LLVKDONJSA-N -1 0 383.426 0.165 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)CC1 ZINC001594935392 954855270 /nfs/dbraw/zinc/85/52/70/954855270.db2.gz RABIIPCAROCRKR-UHFFFAOYSA-N -1 0 380.488 0.071 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC001594938780 954859703 /nfs/dbraw/zinc/85/97/03/954859703.db2.gz BYFBJXUGETWANR-CQSZACIVSA-N -1 0 379.442 0.568 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001594935799 954860058 /nfs/dbraw/zinc/86/00/58/954860058.db2.gz ZOBDSASOAIIEIH-KRWDZBQOSA-N -1 0 397.497 0.691 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC001594935804 954860486 /nfs/dbraw/zinc/86/04/86/954860486.db2.gz ZRKHDILZICRWSP-UHFFFAOYSA-N -1 0 397.453 0.191 20 0 GCADRM O=C([O-])C1CCN(c2ccc(C[NH2+]C[C@@]34COC(=O)N3CCOC4)o2)CC1 ZINC001594939233 954865133 /nfs/dbraw/zinc/86/51/33/954865133.db2.gz CGEQDWNPIGTOTI-GOSISDBHSA-N -1 0 379.413 0.891 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCO[C@@](COC)(C(=O)[O-])C1 ZINC001589463975 954882746 /nfs/dbraw/zinc/88/27/46/954882746.db2.gz KZOXGHSMEYRZDB-DEYYWGMASA-N -1 0 385.461 0.535 20 0 GCADRM O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000703963393 954918312 /nfs/dbraw/zinc/91/83/12/954918312.db2.gz MFHIHXMNXJWTHU-KGLIPLIRSA-N -1 0 380.422 0.845 20 0 GCADRM COC(=O)[C@@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)Cc1ccc(O)cc1 ZINC001593809119 954921342 /nfs/dbraw/zinc/92/13/42/954921342.db2.gz YPFRSVQDNUZLAG-HIFRSBDPSA-N -1 0 392.408 0.163 20 0 GCADRM CC(C)CC(=O)N1CCCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001603003164 972053296 /nfs/dbraw/zinc/05/32/96/972053296.db2.gz YOHWFSQWHHTEDU-HNNXBMFYSA-N -1 0 396.488 0.742 20 0 GCADRM COC(=O)[C@H](O)C1CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001593810394 954930498 /nfs/dbraw/zinc/93/04/98/954930498.db2.gz FBGNFILHUUSLMB-OOWFEOPPSA-N -1 0 384.429 0.354 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CCO1 ZINC001594947862 954931608 /nfs/dbraw/zinc/93/16/08/954931608.db2.gz YZLHEWPWZGRLOL-CQSZACIVSA-N -1 0 383.426 0.539 20 0 GCADRM COC(=O)[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc2c(c1)CCO2 ZINC001593811033 954939083 /nfs/dbraw/zinc/93/90/83/954939083.db2.gz MBNOFEVKBODJIA-CJNGLKHVSA-N -1 0 390.392 0.275 20 0 GCADRM COC(=O)[C@@]1(N[C@@H]2CCN(CC(=O)[O-])C2=O)CCCN(Cc2ccccc2)C1 ZINC001593813596 954975379 /nfs/dbraw/zinc/97/53/79/954975379.db2.gz GLHGMAWHGWPIPD-OXQOHEQNSA-N -1 0 389.452 0.469 20 0 GCADRM CC(C)C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)[O-] ZINC001603008843 972058387 /nfs/dbraw/zinc/05/83/87/972058387.db2.gz KJHWJIRWYLYPPG-AWEZNQCLSA-N -1 0 377.445 0.759 20 0 GCADRM COC(=O)[C@]1(CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CCOC1 ZINC001593813894 954979894 /nfs/dbraw/zinc/97/98/94/954979894.db2.gz MTOKVNBFBRZUQV-KSSFIOAISA-N -1 0 375.381 0.402 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001594959749 955001963 /nfs/dbraw/zinc/00/19/63/955001963.db2.gz DKYBMFKXFCYUTB-CYBMUJFWSA-N -1 0 397.384 0.019 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001594960067 955007145 /nfs/dbraw/zinc/00/71/45/955007145.db2.gz NYNIDHHTWYGORT-GFCCVEGCSA-N -1 0 386.357 0.106 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CCOCC(F)(F)C(F)(F)F ZINC001594960562 955011970 /nfs/dbraw/zinc/01/19/70/955011970.db2.gz ZKBRVMZEAVZXCT-SSDOTTSWSA-N -1 0 383.291 0.301 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC001594960467 955012443 /nfs/dbraw/zinc/01/24/43/955012443.db2.gz YJMUZUQKWJKKNE-ZDUSSCGKSA-N -1 0 378.406 0.984 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001594960664 955013104 /nfs/dbraw/zinc/01/31/04/955013104.db2.gz AXYNONUIKGEXJM-VXGBXAGGSA-N -1 0 375.349 0.797 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ncc(Br)cn1)C[C@H]2C(=O)[O-] ZINC001593819180 955014438 /nfs/dbraw/zinc/01/44/38/955014438.db2.gz GBDCALUGOJBXCN-VGWYGZTPSA-N -1 0 398.213 0.965 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC001594960840 955015169 /nfs/dbraw/zinc/01/51/69/955015169.db2.gz DVAVHTHMDCSQGI-MRXNPFEDSA-N -1 0 380.466 0.996 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccc(NC(N)=O)cc1)C[C@H]2C(=O)[O-] ZINC001593819430 955017106 /nfs/dbraw/zinc/01/71/06/955017106.db2.gz HUQAYSDGJHMLGC-HLZQHVJHSA-N -1 0 375.381 0.903 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001594961101 955017285 /nfs/dbraw/zinc/01/72/85/955017285.db2.gz IZZNCNCNVMQOOV-SNVBAGLBSA-N -1 0 392.220 0.965 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(F)c(Br)c1 ZINC001594961351 955017369 /nfs/dbraw/zinc/01/73/69/955017369.db2.gz KPKCQIFZESBYQM-QMMMGPOBSA-N -1 0 381.179 0.307 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(Oc2ccccc2)cn1 ZINC001594961885 955020519 /nfs/dbraw/zinc/02/05/19/955020519.db2.gz NWKLSXKPABWMKO-ZDUSSCGKSA-N -1 0 377.378 0.593 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCc3nnn(C)c3C1)C[C@H]2C(=O)[O-] ZINC001593819862 955023258 /nfs/dbraw/zinc/02/32/58/955023258.db2.gz HGMFGUDLBXTXJK-NTSVMDCRSA-N -1 0 376.413 0.032 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC001594962383 955023599 /nfs/dbraw/zinc/02/35/99/955023599.db2.gz RYJMPVGXZOWUDS-OAHLLOKOSA-N -1 0 390.417 0.984 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)/C=C/c1cnc(OC)nc1)C[C@H]2C(=O)[O-] ZINC001593820111 955025554 /nfs/dbraw/zinc/02/55/54/955025554.db2.gz IRZJAKVHYXOZIK-NYSCYVSESA-N -1 0 375.381 0.611 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](OC)[C@@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001593820337 955028998 /nfs/dbraw/zinc/02/89/98/955028998.db2.gz CLBVSOXFWYLHOO-SOUMLHEOSA-N -1 0 384.429 0.333 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC001594963173 955029102 /nfs/dbraw/zinc/02/91/02/955029102.db2.gz YDGOZASKLBRHHP-NWDGAFQWSA-N -1 0 396.234 0.805 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cccc3c1NC(=O)CO3)C[C@H]2C(=O)[O-] ZINC001593820759 955034985 /nfs/dbraw/zinc/03/49/85/955034985.db2.gz SIFYVMGEJCRVPT-DQEFIFTMSA-N -1 0 388.376 0.744 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1nnn(C)c1C(F)(F)F)C[C@@H]2C(=O)[O-] ZINC001593821102 955037913 /nfs/dbraw/zinc/03/79/13/955037913.db2.gz WIMHQLLBWNYDPC-ZLJRZNNWSA-N -1 0 390.318 0.560 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1nnn(C)c1C(F)(F)F)C[C@H]2C(=O)[O-] ZINC001593821099 955038248 /nfs/dbraw/zinc/03/82/48/955038248.db2.gz WIMHQLLBWNYDPC-PSVZYIBISA-N -1 0 390.318 0.560 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cc(OC(F)F)n(C)n1)C[C@@H]2C(=O)[O-] ZINC001593821287 955040697 /nfs/dbraw/zinc/04/06/97/955040697.db2.gz ZFPRQMDNOGCRMH-NBHZZOIYSA-N -1 0 387.339 0.748 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCNC(=O)c1ccco1)C[C@@H]2C(=O)[O-] ZINC001593821530 955042956 /nfs/dbraw/zinc/04/29/56/955042956.db2.gz KIEITBDNEAEBJN-BJCXPLBRSA-N -1 0 393.396 0.305 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCc1cc(C)n(C)n1)C[C@@H]2C(=O)[O-] ZINC001593821604 955045304 /nfs/dbraw/zinc/04/53/04/955045304.db2.gz NDEVBCQVXQVCJQ-HZEYSBKDSA-N -1 0 378.429 0.566 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](c1cncn1C)N(C)C)C[C@@H]2C(=O)[O-] ZINC001593821682 955045377 /nfs/dbraw/zinc/04/53/77/955045377.db2.gz TWTBKOWFIISMHQ-TUWKVJMVSA-N -1 0 378.429 0.135 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](OC)C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593821737 955046464 /nfs/dbraw/zinc/04/64/64/955046464.db2.gz VCAUWWUPUCIJTM-IBBOYCKISA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](OC)C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593821735 955046904 /nfs/dbraw/zinc/04/69/04/955046904.db2.gz VCAUWWUPUCIJTM-CQHYGJOFSA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CCNC(=O)c1ccco1)C[C@H]2C(=O)[O-] ZINC001593821882 955047426 /nfs/dbraw/zinc/04/74/26/955047426.db2.gz WFULSZHJALSAOC-LASWEOPPSA-N -1 0 378.381 0.512 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCCS(C)(=O)=O)C[C@@H]2C(=O)[O-] ZINC001593822012 955049904 /nfs/dbraw/zinc/04/99/04/955049904.db2.gz QZXHTZHEXZYSID-BWBHSNQOSA-N -1 0 390.458 0.107 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001594965781 955051126 /nfs/dbraw/zinc/05/11/26/955051126.db2.gz 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RMTQTJHCDGNTFH-OAHLLOKOSA-N -1 0 383.426 0.943 20 0 GCADRM Cc1ccc(N2C[C@H](C(=O)NCCOCCOCC(=O)[O-])CC2=O)cc1F ZINC001594368433 958511980 /nfs/dbraw/zinc/51/19/80/958511980.db2.gz VJPZVIZYAWXFRQ-CYBMUJFWSA-N -1 0 382.388 0.721 20 0 GCADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594111617 958512145 /nfs/dbraw/zinc/51/21/45/958512145.db2.gz JXCWMYVYQITDQL-VIFPVBQESA-N -1 0 377.440 0.725 20 0 GCADRM CC(=O)N1CCN(c2ccccc2CNC(=O)C2(C(=O)[O-])CCOCC2)CC1 ZINC001573344703 958546010 /nfs/dbraw/zinc/54/60/10/958546010.db2.gz NDFYYKYVOLEHDL-UHFFFAOYSA-N -1 0 389.452 0.853 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)[C@H](C)C(=O)[O-] ZINC001573348456 958553151 /nfs/dbraw/zinc/55/31/51/958553151.db2.gz DNPFNQFRVVQBOI-MFKMUULPSA-N -1 0 389.424 0.629 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)[C@@H](C)C(=O)[O-] ZINC001573348673 958554727 /nfs/dbraw/zinc/55/47/27/958554727.db2.gz HYDVMNQOAQEOEI-LBPRGKRZSA-N -1 0 399.469 0.297 20 0 GCADRM Cc1ccc(NC(=O)c2nnc(CN3CCN(C(=O)C(=O)[O-])CC3)s2)cc1 ZINC001594373510 958566111 /nfs/dbraw/zinc/56/61/11/958566111.db2.gz GMUBQHGIGHVQSQ-UHFFFAOYSA-N -1 0 389.437 0.828 20 0 GCADRM COc1cccc(-n2cc(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)nn2)c1 ZINC001594120651 958595881 /nfs/dbraw/zinc/59/58/81/958595881.db2.gz BYGATHSOUJOPAF-AWEZNQCLSA-N -1 0 387.396 0.471 20 0 GCADRM Cc1ccc(S(=O)(=O)C2CCN(CCS(=O)(=O)CC(=O)[O-])CC2)cc1 ZINC001594377083 958600660 /nfs/dbraw/zinc/60/06/60/958600660.db2.gz ZVFQUXKGDDPNFQ-UHFFFAOYSA-N -1 0 389.495 0.733 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)O)cc1 ZINC001594377089 958601154 /nfs/dbraw/zinc/60/11/54/958601154.db2.gz AEWRMMXDWOZFTK-CFVMTHIKSA-N -1 0 386.470 0.496 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](C)O)cc1 ZINC001594377148 958601292 /nfs/dbraw/zinc/60/12/92/958601292.db2.gz HGLIKEBPNLTRIZ-CXTNEJHOSA-N -1 0 384.454 0.392 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cc(C(=O)[O-])ccn2)[C@@H](C)O)cc1 ZINC001594377278 958604108 /nfs/dbraw/zinc/60/41/08/958604108.db2.gz WKAQSTWBQWKYJN-ABAIWWIYSA-N -1 0 393.421 0.755 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])[C@@H](C)O)cc1 ZINC001594377272 958604444 /nfs/dbraw/zinc/60/44/44/958604444.db2.gz WDHMBGZSRYOQPY-GBOPCIDUSA-N -1 0 384.454 0.487 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[C@@H](C)O)cc1 ZINC001594377329 958605444 /nfs/dbraw/zinc/60/54/44/958605444.db2.gz ZTBAZSUGGURONR-XNISGKROSA-N -1 0 398.481 0.592 20 0 GCADRM C[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001573363507 958606046 /nfs/dbraw/zinc/60/60/46/958606046.db2.gz LFJVEDJPQNFNTL-LLVKDONJSA-N -1 0 395.416 0.374 20 0 GCADRM COc1cccc([C@H](O)CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001594124207 958624785 /nfs/dbraw/zinc/62/47/85/958624785.db2.gz SMBUICFMDJAMHG-HUUCEWRRSA-N -1 0 379.413 0.494 20 0 GCADRM 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ZINC001588506801 958732205 /nfs/dbraw/zinc/73/22/05/958732205.db2.gz RLMZPMAYTOUQTC-GFCCVEGCSA-N -1 0 393.415 0.933 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)[C@@H](C)C(=O)[O-] ZINC001588506837 958734325 /nfs/dbraw/zinc/73/43/25/958734325.db2.gz SNXPTMUGHNWELF-XPTSAGLGSA-N -1 0 383.351 0.896 20 0 GCADRM CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001573406877 958734391 /nfs/dbraw/zinc/73/43/91/958734391.db2.gz HYSNYOUSMHMUOL-UHFFFAOYSA-N -1 0 395.441 0.833 20 0 GCADRM COc1ccccc1[C@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594143273 958737913 /nfs/dbraw/zinc/73/79/13/958737913.db2.gz AYJSGTMPLCLGOD-KBPBESRZSA-N -1 0 379.413 0.494 20 0 GCADRM CC(=O)NCCN(C(=O)c1c(C)nn(Cc2ccccc2)c1N)[C@H](C)C(=O)[O-] ZINC001588507620 958742426 /nfs/dbraw/zinc/74/24/26/958742426.db2.gz MOZYHLKICIXSMD-CYBMUJFWSA-N -1 0 387.440 0.873 20 0 GCADRM CC(=O)NCCN(C(=O)CNC(=O)Nc1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC001588507756 958742442 /nfs/dbraw/zinc/74/24/42/958742442.db2.gz POGVCVPGCNNGMC-SNVBAGLBSA-N -1 0 384.820 0.899 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1c(Br)cnn1C)[C@@H](C)C(=O)[O-] ZINC001588507961 958744608 /nfs/dbraw/zinc/74/46/08/958744608.db2.gz WOGIRCYRRBDHKM-QMMMGPOBSA-N -1 0 375.223 0.163 20 0 GCADRM Cc1oc(C)c(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c1C(=O)[O-] ZINC000391812574 972377482 /nfs/dbraw/zinc/37/74/82/972377482.db2.gz KQAIFLMJXPWTGZ-JTQLQIEISA-N -1 0 380.444 0.297 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)C1 ZINC001573422003 958774597 /nfs/dbraw/zinc/77/45/97/958774597.db2.gz QDKBWCWCPLOYJA-RZAIGCCYSA-N -1 0 384.429 0.308 20 0 GCADRM COc1ccccc1N1CC[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC001594147163 958776052 /nfs/dbraw/zinc/77/60/52/958776052.db2.gz QIRRDYUXWHDVGN-AAEUAGOBSA-N -1 0 383.426 0.184 20 0 GCADRM CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)s1 ZINC001588514526 958777006 /nfs/dbraw/zinc/77/70/06/958777006.db2.gz DLOBVEJMQQMSTJ-NHYWBVRUSA-N -1 0 388.467 0.148 20 0 GCADRM CC(C)(C)OC(=O)NC1(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001573437578 958822305 /nfs/dbraw/zinc/82/23/05/958822305.db2.gz UTUSQUVRFZDMKJ-GFCCVEGCSA-N -1 0 387.433 0.555 20 0 GCADRM Cc1cccc([C@@H](NS(=O)(=O)C[C@H]2CCN(S(C)(=O)=O)C2)C(=O)[O-])c1 ZINC001594399517 958832391 /nfs/dbraw/zinc/83/23/91/958832391.db2.gz LWWAHHBWOLYEQG-GXTWGEPZSA-N -1 0 390.483 0.322 20 0 GCADRM CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCOC[C@@H]3C(=O)[O-])CC2=O)cc1 ZINC001588520559 958834690 /nfs/dbraw/zinc/83/46/90/958834690.db2.gz YZMUORMJYWYEMC-SWLSCSKDSA-N -1 0 375.381 0.310 20 0 GCADRM CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3C(=O)[O-])CC2=O)cc1 ZINC001588520560 958835448 /nfs/dbraw/zinc/83/54/48/958835448.db2.gz YZMUORMJYWYEMC-WFASDCNBSA-N -1 0 375.381 0.310 20 0 GCADRM CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001588520703 958839024 /nfs/dbraw/zinc/83/90/24/958839024.db2.gz NKVQNCNBXWQBSQ-OAHLLOKOSA-N -1 0 376.413 0.910 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCOc2cccnc2)C1 ZINC001573450104 958871061 /nfs/dbraw/zinc/87/10/61/958871061.db2.gz BRDAPNZFADBRHJ-SFHVURJKSA-N -1 0 395.412 0.667 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573451749 958875944 /nfs/dbraw/zinc/87/59/44/958875944.db2.gz JEQMKYNVTOBNHE-NEPJUHHUSA-N -1 0 393.462 0.006 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CC(C)(C)OC2=O)C1 ZINC001573453012 958877878 /nfs/dbraw/zinc/87/78/78/958877878.db2.gz LSLYOZAMXMWWPU-QGHHPUGFSA-N -1 0 386.401 0.287 20 0 GCADRM CC(=O)c1cnccc1NC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001588533607 958908166 /nfs/dbraw/zinc/90/81/66/958908166.db2.gz HBVKSJNYFPOCIJ-SFHVURJKSA-N -1 0 393.396 0.735 20 0 GCADRM CS(=O)(=O)CC1(CNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CCC1 ZINC001594164035 958931143 /nfs/dbraw/zinc/93/11/43/958931143.db2.gz OPGLUKHOHBJCSB-UIORMTCPSA-N -1 0 388.486 0.913 20 0 GCADRM CC(C)(CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)[O-] ZINC001573469533 958942369 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378.472 0.218 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H]2CCCC[C@H]12 ZINC000851617959 979542678 /nfs/dbraw/zinc/54/26/78/979542678.db2.gz GNDZLXZOYSBSKN-RBSFLKMASA-N -1 0 393.465 0.976 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H]2CCCC[C@H]12 ZINC000851617957 979542735 /nfs/dbraw/zinc/54/27/35/979542735.db2.gz GNDZLXZOYSBSKN-KFWWJZLASA-N -1 0 393.465 0.976 20 0 GCADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001595131008 979546148 /nfs/dbraw/zinc/54/61/48/979546148.db2.gz HLHZYIUAZATFSD-OAHLLOKOSA-N -1 0 377.441 0.869 20 0 GCADRM CC[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595131353 979551832 /nfs/dbraw/zinc/55/18/32/979551832.db2.gz REQSWEXMSRLFCY-CYBMUJFWSA-N -1 0 381.404 0.618 20 0 GCADRM O=C([O-])c1cn(C2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)nn1 ZINC000851623276 979557567 /nfs/dbraw/zinc/55/75/67/979557567.db2.gz NIUXSGZWWLGHPU-LBPRGKRZSA-N -1 0 375.429 0.931 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1)C(=O)[O-] ZINC001595133541 979561530 /nfs/dbraw/zinc/56/15/30/979561530.db2.gz KOLHZZSGTSILRD-MRVPVSSYSA-N -1 0 376.818 0.909 20 0 GCADRM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1[C@@H](C(=O)[O-])CCS1(=O)=O ZINC001592832150 979562477 /nfs/dbraw/zinc/56/24/77/979562477.db2.gz MEGCTLZYHGRFLQ-TVQRCGJNSA-N -1 0 376.381 0.501 20 0 GCADRM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001592832147 979562605 /nfs/dbraw/zinc/56/26/05/979562605.db2.gz MCZABRUHJDPNRR-XHDPSFHLSA-N -1 0 383.395 0.677 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)C(=O)[O-] ZINC001595133984 979563368 /nfs/dbraw/zinc/56/33/68/979563368.db2.gz ORPOZNJVAXUNQG-LBPRGKRZSA-N -1 0 379.413 0.628 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O)C(=O)[O-] ZINC001595134477 979565839 /nfs/dbraw/zinc/56/58/39/979565839.db2.gz VRGZYAFKTTTXSU-MRVPVSSYSA-N -1 0 376.818 0.909 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)C(=O)[O-] ZINC001595134856 979569644 /nfs/dbraw/zinc/56/96/44/979569644.db2.gz CWGNORYINLCCCI-DTWKUNHWSA-N -1 0 383.426 0.587 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)[O-] ZINC001595135438 979576194 /nfs/dbraw/zinc/57/61/94/979576194.db2.gz SGJMACFQYFLGPQ-LLVKDONJSA-N -1 0 382.380 0.981 20 0 GCADRM CC[C@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001595138957 979586087 /nfs/dbraw/zinc/58/60/87/979586087.db2.gz UVUFOZWIXNDZTF-MFKMUULPSA-N -1 0 375.381 0.144 20 0 GCADRM O=C([O-])C1(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CCCC1 ZINC000852957979 979591288 /nfs/dbraw/zinc/59/12/88/979591288.db2.gz AMGJKKHHAXVJSR-UHFFFAOYSA-N -1 0 380.426 0.602 20 0 GCADRM CC[C@@H](CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)[O-] ZINC001595139623 979594968 /nfs/dbraw/zinc/59/49/68/979594968.db2.gz UNWTUSVEWYAZPL-QWHCGFSZSA-N -1 0 385.461 0.977 20 0 GCADRM Cn1cc(S(=O)(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C(=O)NCC(F)(F)F ZINC000853069102 979598163 /nfs/dbraw/zinc/59/81/63/979598163.db2.gz LRZPKHXAZCKSFV-VIFPVBQESA-N -1 0 395.359 0.769 20 0 GCADRM CC[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)[O-] ZINC001595144465 979608614 /nfs/dbraw/zinc/60/86/14/979608614.db2.gz OHNDURPTKAKYGO-VOJFVSQTSA-N -1 0 377.397 0.689 20 0 GCADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592846816 979622490 /nfs/dbraw/zinc/62/24/90/979622490.db2.gz CCFKTMBCTKNYKG-SJCJKPOMSA-N -1 0 391.359 0.341 20 0 GCADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001592847053 979624010 /nfs/dbraw/zinc/62/40/10/979624010.db2.gz SFLJKUGTQBHKAR-INIZCTEOSA-N -1 0 387.433 0.243 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)[O-] ZINC001592847055 979624079 /nfs/dbraw/zinc/62/40/79/979624079.db2.gz SFLJKUGTQBHKAR-MRXNPFEDSA-N -1 0 387.433 0.243 20 0 GCADRM CC[C@](CNC(=O)N1CCC[C@H]1CS(N)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC001595148284 979631470 /nfs/dbraw/zinc/63/14/70/979631470.db2.gz YVBBATIHRLHMLB-WMLDXEAASA-N -1 0 383.470 0.882 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1)C(=O)[O-] ZINC001592852612 979636371 /nfs/dbraw/zinc/63/63/71/979636371.db2.gz CEHSBILAMFLZOZ-XJKCOSOUSA-N -1 0 377.441 0.724 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592852741 979637785 /nfs/dbraw/zinc/63/77/85/979637785.db2.gz DSPBKJZMAJPUNF-BBRMVZONSA-N -1 0 375.425 0.431 20 0 GCADRM CC[C@@](CNC(=O)NCCN1CCCS1(=O)=O)(C(=O)[O-])c1ccccc1 ZINC001595150518 979641602 /nfs/dbraw/zinc/64/16/02/979641602.db2.gz VESQADLGLQCQEU-KRWDZBQOSA-N -1 0 383.470 0.754 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1)C(=O)[O-] ZINC001592853155 979642558 /nfs/dbraw/zinc/64/25/58/979642558.db2.gz KFPYSSAZBLHQDI-NEPJUHHUSA-N -1 0 382.438 0.534 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1)C(=O)[O-] ZINC001592855134 979660693 /nfs/dbraw/zinc/66/06/93/979660693.db2.gz ZZILRNKHBLVEHJ-GFCCVEGCSA-N -1 0 382.438 0.535 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858656 979674686 /nfs/dbraw/zinc/67/46/86/979674686.db2.gz SHNJGYMIWKQLGW-KGLIPLIRSA-N -1 0 377.441 0.725 20 0 GCADRM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001595173759 979750052 /nfs/dbraw/zinc/75/00/52/979750052.db2.gz CFTJYBZJVGJHPV-SNVBAGLBSA-N -1 0 385.367 0.517 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864162350 979779620 /nfs/dbraw/zinc/77/96/20/979779620.db2.gz ITQOXSFFCDWLJR-AWEZNQCLSA-N -1 0 394.449 0.919 20 0 GCADRM NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000864162581 979780381 /nfs/dbraw/zinc/78/03/81/979780381.db2.gz LOOFBBHUPSPMGA-LBPRGKRZSA-N -1 0 395.437 0.074 20 0 GCADRM CC[C@@H](COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001595179476 979782684 /nfs/dbraw/zinc/78/26/84/979782684.db2.gz BLUGCUWRQAIIQA-LBPRGKRZSA-N -1 0 386.426 0.920 20 0 GCADRM C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592891527 979784454 /nfs/dbraw/zinc/78/44/54/979784454.db2.gz MXJOOOOCEYQIQV-VIFPVBQESA-N -1 0 385.214 0.154 20 0 GCADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000864169019 979794932 /nfs/dbraw/zinc/79/49/32/979794932.db2.gz FKSMIEVQLUHEKC-UEICXMAYSA-N -1 0 382.438 0.669 20 0 GCADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000864171118 979800109 /nfs/dbraw/zinc/80/01/09/979800109.db2.gz TZIVTFNDGJRSAJ-GOSISDBHSA-N -1 0 396.465 0.861 20 0 GCADRM C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001592900169 979819855 /nfs/dbraw/zinc/81/98/55/979819855.db2.gz QFSAZYHOGQEPAA-RYUDHWBXSA-N -1 0 375.385 0.480 20 0 GCADRM CC[C@@](COC)(NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC001595187394 979842661 /nfs/dbraw/zinc/84/26/61/979842661.db2.gz BSUNMPHZNQYVNO-HNNXBMFYSA-N -1 0 376.406 0.490 20 0 GCADRM CC[C@@](COC)(NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001595188442 979859417 /nfs/dbraw/zinc/85/94/17/979859417.db2.gz OKGZSFBUKFEBKA-AWEZNQCLSA-N -1 0 376.456 0.422 20 0 GCADRM CC[C@@](COC)(NC(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C)C(=O)[O-] ZINC001595188739 979863679 /nfs/dbraw/zinc/86/36/79/979863679.db2.gz SSJCVGCEJCCXKC-SFHVURJKSA-N -1 0 378.429 0.807 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)[O-] ZINC001592915944 979887096 /nfs/dbraw/zinc/88/70/96/979887096.db2.gz ACRBIDKWLJZGND-AWEZNQCLSA-N -1 0 383.202 0.467 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC001592916797 979892366 /nfs/dbraw/zinc/89/23/66/979892366.db2.gz IZMJYAWZURQLBK-KRWDZBQOSA-N -1 0 393.831 0.995 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCOc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592917360 979894344 /nfs/dbraw/zinc/89/43/44/979894344.db2.gz OGDAYKVBAIUKPV-QGZVFWFLSA-N -1 0 395.437 0.715 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592917754 979896268 /nfs/dbraw/zinc/89/62/68/979896268.db2.gz TZTJVKARFCGHRS-KDOFPFPSSA-N -1 0 377.445 0.770 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)[O-] ZINC001592917939 979899104 /nfs/dbraw/zinc/89/91/04/979899104.db2.gz WEYRZUNHZNGAEM-CXUUEIJPSA-N -1 0 395.485 0.568 20 0 GCADRM CC[C@](COC)(NC(=O)c1nccc2c1cccc2S(N)(=O)=O)C(=O)[O-] ZINC001595194344 979899171 /nfs/dbraw/zinc/89/91/71/979899171.db2.gz NTPQOOWLXFMFKQ-MRXNPFEDSA-N -1 0 381.410 0.492 20 0 GCADRM CC[C@@](COC)(NC(=O)c1nccc2c1cccc2S(N)(=O)=O)C(=O)[O-] ZINC001595194342 979899174 /nfs/dbraw/zinc/89/91/74/979899174.db2.gz NTPQOOWLXFMFKQ-INIZCTEOSA-N -1 0 381.410 0.492 20 0 GCADRM CC[C@](COC)(NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC001595194492 979901536 /nfs/dbraw/zinc/90/15/36/979901536.db2.gz HGMLWSMXLJVSEF-OAHLLOKOSA-N -1 0 376.406 0.637 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000864214975 979902510 /nfs/dbraw/zinc/90/25/10/979902510.db2.gz WHVDDKQFEDVECC-RVKKMQEKSA-N -1 0 390.436 0.910 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000864215717 979903086 /nfs/dbraw/zinc/90/30/86/979903086.db2.gz DODSUEQZCCUVOB-RHSMWYFYSA-N -1 0 396.465 0.765 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC001592919120 979914338 /nfs/dbraw/zinc/91/43/38/979914338.db2.gz XQELHPOEBLJEJA-WMLDXEAASA-N -1 0 379.438 0.671 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001595198472 979926089 /nfs/dbraw/zinc/92/60/89/979926089.db2.gz HJGTUZAVMDBWLO-CYBMUJFWSA-N -1 0 383.419 0.387 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1c[nH]nc1I)C(=O)[O-] ZINC001592923829 979927966 /nfs/dbraw/zinc/92/79/66/979927966.db2.gz DQYCIWOZNPNNKO-NSHDSACASA-N -1 0 389.153 0.484 20 0 GCADRM C[C@@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(N)=O ZINC001592924740 979933588 /nfs/dbraw/zinc/93/35/88/979933588.db2.gz XJKBAPNURYXHCI-KRWDZBQOSA-N -1 0 391.453 0.604 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cc(Br)cn2ncnc12)C(=O)[O-] ZINC001592924875 979934890 /nfs/dbraw/zinc/93/48/90/979934890.db2.gz MHIDSDDZLRBSMR-CQSZACIVSA-N -1 0 393.201 0.962 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC001592924849 979934930 /nfs/dbraw/zinc/93/49/30/979934930.db2.gz LJPNSAHBLHWSBE-QGZVFWFLSA-N -1 0 392.437 0.696 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC001592924848 979935147 /nfs/dbraw/zinc/93/51/47/979935147.db2.gz LJPNSAHBLHWSBE-KRWDZBQOSA-N -1 0 392.437 0.696 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592925383 979941767 /nfs/dbraw/zinc/94/17/67/979941767.db2.gz YZGOQZQDNWSYFP-CQSZACIVSA-N -1 0 386.817 0.457 20 0 GCADRM C[C@@H](Cn1cccn1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001592925651 979943869 /nfs/dbraw/zinc/94/38/69/979943869.db2.gz HFDGMHLPJSZVJN-AXFHLTTASA-N -1 0 376.335 0.499 20 0 GCADRM C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592925971 979946698 /nfs/dbraw/zinc/94/66/98/979946698.db2.gz MOBQAXRJROHKSJ-AJAZOQAWSA-N -1 0 384.458 0.381 20 0 GCADRM C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592925972 979946705 /nfs/dbraw/zinc/94/67/05/979946705.db2.gz MOBQAXRJROHKSJ-ISGSLZAZSA-N -1 0 384.458 0.381 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001592926755 979951581 /nfs/dbraw/zinc/95/15/81/979951581.db2.gz YIPQLMZLVTWBRD-SHACYNPGSA-N -1 0 392.503 0.991 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001592929982 979962991 /nfs/dbraw/zinc/96/29/91/979962991.db2.gz GMYXXTMNEIUNDM-KRWDZBQOSA-N -1 0 391.449 0.821 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001592930121 979964876 /nfs/dbraw/zinc/96/48/76/979964876.db2.gz HHRORILDPGAFFT-RHSMWYFYSA-N -1 0 379.438 0.963 20 0 GCADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c1F ZINC000871790894 979968857 /nfs/dbraw/zinc/96/88/57/979968857.db2.gz GAPBZGVPMPYGJS-UHFFFAOYSA-N -1 0 387.433 0.227 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001592930985 979977490 /nfs/dbraw/zinc/97/74/90/979977490.db2.gz POQXOWWQMKBXGI-VOJFVSQTSA-N -1 0 384.396 0.556 20 0 GCADRM CC(F)(F)CCCS(=O)(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001592939784 980009616 /nfs/dbraw/zinc/00/96/16/980009616.db2.gz NYLYTSZFILYTAC-UHFFFAOYSA-N -1 0 377.431 0.763 20 0 GCADRM CC(F)(F)c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001592943741 980016817 /nfs/dbraw/zinc/01/68/17/980016817.db2.gz CDEUJCAFRWUKAK-GFCCVEGCSA-N -1 0 383.351 0.929 20 0 GCADRM CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)OC ZINC001595217075 980021120 /nfs/dbraw/zinc/02/11/20/980021120.db2.gz TWUXBMJIVKPVRZ-BZUAXINKSA-N -1 0 389.456 0.961 20 0 GCADRM C[C@@H](N(C)C(=O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)C(C)(C)O ZINC001592950817 980032276 /nfs/dbraw/zinc/03/22/76/980032276.db2.gz RBUCIUNIFQOIMY-SNVBAGLBSA-N -1 0 375.385 0.522 20 0 GCADRM CC[C@@H](NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1c(C)noc1C ZINC001595228677 980087137 /nfs/dbraw/zinc/08/71/37/980087137.db2.gz HKKCQZCXJAUBNT-VEVIJQCQSA-N -1 0 379.413 0.808 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)NC ZINC001595229194 980091143 /nfs/dbraw/zinc/09/11/43/980091143.db2.gz JYQJVTOZQOGNSV-GFCCVEGCSA-N -1 0 376.413 0.564 20 0 GCADRM C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001592967568 980092208 /nfs/dbraw/zinc/09/22/08/980092208.db2.gz CXKRMUXCBGZEIX-BDAKNGLRSA-N -1 0 384.458 0.780 20 0 GCADRM C[C@@H](N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1)C(F)(F)F ZINC001592969714 980101291 /nfs/dbraw/zinc/10/12/91/980101291.db2.gz XAOAMRRKHKMIMB-SECBINFHSA-N -1 0 376.335 0.757 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(=O)NC ZINC001595231595 980104991 /nfs/dbraw/zinc/10/49/91/980104991.db2.gz WRWZCMLFMZAZFP-VIFPVBQESA-N -1 0 375.303 0.983 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cc(Cl)cc2c1OCC2 ZINC001592970891 980123911 /nfs/dbraw/zinc/12/39/11/980123911.db2.gz 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C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C(=O)NC(C)(C)C ZINC001592987166 980166992 /nfs/dbraw/zinc/16/69/92/980166992.db2.gz PBTBTNOGHDLDQH-SNVBAGLBSA-N -1 0 378.429 0.809 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1nnnn1C ZINC001592987257 980167517 /nfs/dbraw/zinc/16/75/17/980167517.db2.gz RNOBWGSUGGNHJW-JTQLQIEISA-N -1 0 376.373 0.270 20 0 GCADRM C[C@@](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)(C(=O)[O-])C1CC1 ZINC001592989366 980173570 /nfs/dbraw/zinc/17/35/70/980173570.db2.gz FTZDJLKRLHDTPD-UGSOOPFHSA-N -1 0 379.388 0.098 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1nnc2ccccn21 ZINC001592991079 980186054 /nfs/dbraw/zinc/18/60/54/980186054.db2.gz LEDJPKNJOBCTAU-SNVBAGLBSA-N -1 0 385.384 0.561 20 0 GCADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)C1 ZINC000874412722 980186411 /nfs/dbraw/zinc/18/64/11/980186411.db2.gz FWIBYZGMXCZGKQ-FPCVCCKLSA-N -1 0 380.489 0.681 20 0 GCADRM CCN1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1 ZINC000874414504 980188559 /nfs/dbraw/zinc/18/85/59/980188559.db2.gz VMICLEKFZAVNNX-IYBDPMFKSA-N -1 0 380.489 0.825 20 0 GCADRM C[C@H](NC(=O)C1CCCCC1)C(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001593007053 980223084 /nfs/dbraw/zinc/22/30/84/980223084.db2.gz HPRXNAVRAGSPGU-SGMGOOAPSA-N -1 0 399.513 0.952 20 0 GCADRM CN1C(=O)C[C@H](NC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000898868453 980224553 /nfs/dbraw/zinc/22/45/53/980224553.db2.gz VQKZSIVUOFGVRP-KCQAQPDRSA-N -1 0 383.351 0.732 20 0 GCADRM C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593015040 980259480 /nfs/dbraw/zinc/25/94/80/980259480.db2.gz ZUKCLXMKXVTDMM-GXTWGEPZSA-N -1 0 388.486 0.562 20 0 GCADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(=O)N1CCOCC1 ZINC001595264118 980270029 /nfs/dbraw/zinc/27/00/29/980270029.db2.gz VGSKBTUKWLTNAX-AWEZNQCLSA-N -1 0 386.408 0.938 20 0 GCADRM C[C@@H](NC(=O)COC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)N1CCCCC1 ZINC001593031036 980307527 /nfs/dbraw/zinc/30/75/27/980307527.db2.gz PPFJXFJRKYTQME-CYBMUJFWSA-N -1 0 392.408 0.824 20 0 GCADRM C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ncc(C(=O)[O-])s1 ZINC001593031337 980308952 /nfs/dbraw/zinc/30/89/52/980308952.db2.gz WSPKVYCUNWKUDN-SNVBAGLBSA-N -1 0 378.410 0.747 20 0 GCADRM C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ncc(C(=O)[O-])s1 ZINC001593051539 980348833 /nfs/dbraw/zinc/34/88/33/980348833.db2.gz USOVLZMDLIXCKO-SECBINFHSA-N -1 0 390.487 0.968 20 0 GCADRM C[C@H](NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)C(=O)N1c2ccccc2C[C@H]1C ZINC001593054727 980364912 /nfs/dbraw/zinc/36/49/12/980364912.db2.gz ZGRMSBQHUJAYBU-PAPYEOQZSA-N -1 0 375.425 0.830 20 0 GCADRM C[C@H](NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)c1ncc(C(=O)[O-])s1 ZINC001593054865 980366654 /nfs/dbraw/zinc/36/66/54/980366654.db2.gz PGGAWXRNOLTCFO-IUCAKERBSA-N -1 0 376.460 0.483 20 0 GCADRM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC)C(OC)OC 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KWBRPZGSBPXYRT-YKCQCPFCSA-N -1 0 383.470 0.952 20 0 GCADRM CCC1(CC)CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC[S@]1=O ZINC001595375607 980897737 /nfs/dbraw/zinc/89/77/37/980897737.db2.gz SRYMUGGTJISVKV-AREMUKBSSA-N -1 0 384.458 0.364 20 0 GCADRM CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)C1=O ZINC001595376506 980906700 /nfs/dbraw/zinc/90/67/00/980906700.db2.gz AHIQWQGTSSBMFA-CYBMUJFWSA-N -1 0 379.335 0.963 20 0 GCADRM CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)C1=O ZINC001595376802 980908547 /nfs/dbraw/zinc/90/85/47/980908547.db2.gz NDXMFNKSYGDFOZ-MELADBBJSA-N -1 0 395.456 0.968 20 0 GCADRM CC[C@]1(CO)CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC001595379795 980920348 /nfs/dbraw/zinc/92/03/48/980920348.db2.gz WBBAJSLACCMFHR-BEFAXECRSA-N -1 0 376.409 0.876 20 0 GCADRM CCC1(Cn2cc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nn2)COC1 ZINC001595386018 980936535 /nfs/dbraw/zinc/93/65/35/980936535.db2.gz VFYPXPFFXHEODV-LBPRGKRZSA-N -1 0 381.433 0.050 20 0 GCADRM CCC1(N2CCOCC2)CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC001595386845 980937637 /nfs/dbraw/zinc/93/76/37/980937637.db2.gz AGZBBRQOYHSERY-UHFFFAOYSA-N -1 0 386.474 0.233 20 0 GCADRM CC[C@]1(O)CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[nH]2)C1 ZINC001595395834 980958402 /nfs/dbraw/zinc/95/84/02/980958402.db2.gz HPSWCDKJOYQCOY-KRWDZBQOSA-N -1 0 395.437 0.745 20 0 GCADRM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)C1=O ZINC001595397221 980963618 /nfs/dbraw/zinc/96/36/18/980963618.db2.gz GHVIGAJHLIUSSX-JHOTVLKYSA-N -1 0 375.381 0.753 20 0 GCADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC2(C(=O)[O-])CCCCC2)C1=O ZINC001595397291 980963935 /nfs/dbraw/zinc/96/39/35/980963935.db2.gz IUFDUPPCKSJXKG-GOSISDBHSA-N -1 0 391.428 0.481 20 0 GCADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC001595397672 980966137 /nfs/dbraw/zinc/96/61/37/980966137.db2.gz UGIVUFITPQFULE-SFHVURJKSA-N -1 0 385.380 0.914 20 0 GCADRM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001595401066 980975065 /nfs/dbraw/zinc/97/50/65/980975065.db2.gz GZBQXOHWRKVEOQ-VIFPVBQESA-N -1 0 381.410 0.195 20 0 GCADRM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001595401432 980975724 /nfs/dbraw/zinc/97/57/24/980975724.db2.gz KYGZWWJBMFSZEY-LLVKDONJSA-N -1 0 379.369 0.078 20 0 GCADRM CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595402099 980978255 /nfs/dbraw/zinc/97/82/55/980978255.db2.gz SZUSJSURMREOKA-AWEZNQCLSA-N -1 0 379.413 0.714 20 0 GCADRM CCC1CCC(NC(=O)c2nc(N)nc(N3CCOCC3)n2)(C(=O)[O-])CC1 ZINC001595425197 981045260 /nfs/dbraw/zinc/04/52/60/981045260.db2.gz HSWRPLRMDLYNCT-UHFFFAOYSA-N -1 0 378.433 0.444 20 0 GCADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1)C2=O ZINC001595432096 981056149 /nfs/dbraw/zinc/05/61/49/981056149.db2.gz JVNDYRHZMRMVSI-SGJMOYSZSA-N -1 0 395.456 0.731 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CCO1 ZINC000904943072 981085174 /nfs/dbraw/zinc/08/51/74/981085174.db2.gz JFFCCIFYICOCRU-ZFWWWQNUSA-N -1 0 380.372 0.508 20 0 GCADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001595448450 981098899 /nfs/dbraw/zinc/09/88/99/981098899.db2.gz QMYOAQWJEZIOTP-ZOBORPQBSA-N -1 0 381.429 0.578 20 0 GCADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001595448447 981099149 /nfs/dbraw/zinc/09/91/49/981099149.db2.gz QMYOAQWJEZIOTP-RFGFWPKPSA-N -1 0 381.429 0.578 20 0 GCADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000906807357 981171508 /nfs/dbraw/zinc/17/15/08/981171508.db2.gz HQBYSIDAVRNCJV-UHFFFAOYSA-N -1 0 387.433 0.227 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC001595471135 981173044 /nfs/dbraw/zinc/17/30/44/981173044.db2.gz HXCOECVXMSHBFI-CZASGMAJSA-N -1 0 384.458 0.399 20 0 GCADRM CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)[C@@H](CC)CN1C(C)=O ZINC001595472414 981179477 /nfs/dbraw/zinc/17/94/77/981179477.db2.gz UQWFVJMFYGKNKH-OJLVUWQFSA-N -1 0 381.473 0.804 20 0 GCADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000906982058 981180908 /nfs/dbraw/zinc/18/09/08/981180908.db2.gz ONDIOPDGQDMUJA-GXTWGEPZSA-N -1 0 384.454 0.877 20 0 GCADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000906982059 981181120 /nfs/dbraw/zinc/18/11/20/981181120.db2.gz ONDIOPDGQDMUJA-JSGCOSHPSA-N -1 0 384.454 0.877 20 0 GCADRM O=C([O-])[C@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000907723347 981211415 /nfs/dbraw/zinc/21/14/15/981211415.db2.gz FZJDHPXKSJBKPP-CRAIPNDOSA-N -1 0 378.450 0.881 20 0 GCADRM C[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)C[C@@H](C(=O)[O-])O1 ZINC000907732657 981212760 /nfs/dbraw/zinc/21/27/60/981212760.db2.gz RULCYTSZMRAUND-KCJUWKMLSA-N -1 0 377.319 0.675 20 0 GCADRM O=C([O-])[C@]1(C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1c1ccccc1 ZINC000907835789 981229327 /nfs/dbraw/zinc/22/93/27/981229327.db2.gz NAULMQNGPLWQJQ-DYESRHJHSA-N -1 0 395.463 0.973 20 0 GCADRM 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CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)C1 ZINC001596600644 984554937 /nfs/dbraw/zinc/55/49/37/984554937.db2.gz CCOVIQDKYZOGMX-NSHDSACASA-N -1 0 380.401 0.639 20 0 GCADRM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001596619858 984591485 /nfs/dbraw/zinc/59/14/85/984591485.db2.gz IEROLHURLIMNPP-UHFFFAOYSA-N -1 0 378.790 0.077 20 0 GCADRM CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001596625235 984604458 /nfs/dbraw/zinc/60/44/58/984604458.db2.gz XHFZGNHSHJOJSW-UHFFFAOYSA-N -1 0 378.385 0.703 20 0 GCADRM CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1 ZINC001596625220 984604614 /nfs/dbraw/zinc/60/46/14/984604614.db2.gz WNDLPIHHIQJDQF-UONOGXRCSA-N -1 0 384.429 0.317 20 0 GCADRM CCOC(=O)COCCNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001596628523 984607739 /nfs/dbraw/zinc/60/77/39/984607739.db2.gz IUKKVVVAWPYRFQ-UHFFFAOYSA-N -1 0 382.394 0.791 20 0 GCADRM CCOC(=O)COCCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001596629196 984610852 /nfs/dbraw/zinc/61/08/52/984610852.db2.gz NRJVSRAZXVQHBN-UHFFFAOYSA-N -1 0 379.362 0.391 20 0 GCADRM CCOC(=O)CS[C@H](CNC(=O)Cn1cc(C(=O)[O-])cn1)C(F)(F)F ZINC001596629531 984612055 /nfs/dbraw/zinc/61/20/55/984612055.db2.gz UUMBLJOSFIJCFE-SECBINFHSA-N -1 0 383.348 0.925 20 0 GCADRM CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC001596634374 984621214 /nfs/dbraw/zinc/62/12/14/984621214.db2.gz ORFRCSGGXMSSOD-SFHVURJKSA-N -1 0 378.381 0.433 20 0 GCADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC001596642413 984636431 /nfs/dbraw/zinc/63/64/31/984636431.db2.gz ALKCYBDCSOZFST-JSGCOSHPSA-N -1 0 395.412 0.642 20 0 GCADRM CCOC(=O)N1C[C@H](NC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])[C@@H](CO)C1 ZINC001596642474 984637054 /nfs/dbraw/zinc/63/70/54/984637054.db2.gz BPDQWKIGDVAPNW-YPMHNXCESA-N -1 0 395.412 0.332 20 0 GCADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)Nc2nc3n(c2C(=O)[O-])CCC3)C1 ZINC001596643038 984641326 /nfs/dbraw/zinc/64/13/26/984641326.db2.gz NMGOQYCKHDCSDA-UWVGGRQHSA-N -1 0 381.389 0.098 20 0 GCADRM CCOC(=O)N1C[C@H](CO)[C@H](NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC001596643090 984642104 /nfs/dbraw/zinc/64/21/04/984642104.db2.gz PEAVAISQTQINQO-RKDXNWHRSA-N -1 0 378.428 0.174 20 0 GCADRM CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2OC)C1 ZINC001596643241 984642811 /nfs/dbraw/zinc/64/28/11/984642811.db2.gz QIHQAPCQXNTRMU-GWCFXTLKSA-N -1 0 381.385 0.964 20 0 GCADRM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001596643528 984644536 /nfs/dbraw/zinc/64/45/36/984644536.db2.gz XHNQMUSRLQASDY-BXUZGUMPSA-N -1 0 382.417 0.280 20 0 GCADRM CCOC(=O)N1C[C@H](NC(=O)NCc2cc(C(=O)[O-])c(C)n2C)[C@@H](CO)C1 ZINC001596643530 984644647 /nfs/dbraw/zinc/64/46/47/984644647.db2.gz XHNQMUSRLQASDY-RISCZKNCSA-N -1 0 382.417 0.280 20 0 GCADRM CCOC(=O)N1C[C@H](NS(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@H](CO)C1 ZINC001596643459 984644648 /nfs/dbraw/zinc/64/46/48/984644648.db2.gz WCJLJWXGJBTONB-OCCSQVGLSA-N -1 0 386.426 0.041 20 0 GCADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001599886800 984645392 /nfs/dbraw/zinc/64/53/92/984645392.db2.gz KMYJOGPMSHODEJ-LLVKDONJSA-N -1 0 379.479 0.967 20 0 GCADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F ZINC001599886849 984646604 /nfs/dbraw/zinc/64/66/04/984646604.db2.gz YAWSIINEYDZLSS-RXMQYKEDSA-N -1 0 383.195 0.781 20 0 GCADRM CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC001596644076 984648185 /nfs/dbraw/zinc/64/81/85/984648185.db2.gz DMZTYRCDZUQPTO-UHFFFAOYSA-N -1 0 377.397 0.989 20 0 GCADRM CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C(=O)[O-])[nH]2)CC1 ZINC001596644609 984653878 /nfs/dbraw/zinc/65/38/78/984653878.db2.gz RSIXZQHWYFDALV-UHFFFAOYSA-N -1 0 394.428 0.960 20 0 GCADRM CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001596644796 984655271 /nfs/dbraw/zinc/65/52/71/984655271.db2.gz UZEKOISAHIZOPQ-OCCSQVGLSA-N -1 0 383.445 0.825 20 0 GCADRM CCOC(=O)N1CCC(NC(=O)C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001596644979 984656847 /nfs/dbraw/zinc/65/68/47/984656847.db2.gz ZKDNWMWCASLSBF-UHFFFAOYSA-N -1 0 383.426 0.800 20 0 GCADRM CCOC(=O)N1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1 ZINC001596644962 984657205 /nfs/dbraw/zinc/65/72/05/984657205.db2.gz YKRSELGGEFGQFN-STQMWFEESA-N -1 0 383.445 0.683 20 0 GCADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(=O)[O-])CC1 ZINC001596647061 984662471 /nfs/dbraw/zinc/66/24/71/984662471.db2.gz SHBMAPPHJKGTLP-HNNXBMFYSA-N -1 0 388.446 0.267 20 0 GCADRM CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CCCC2)CC1 ZINC001596654567 984689711 /nfs/dbraw/zinc/68/97/11/984689711.db2.gz FOMMDOJGYDACLR-ZDUSSCGKSA-N -1 0 377.463 0.628 20 0 GCADRM CCOC(=O)N1CCN(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001596655440 984693863 /nfs/dbraw/zinc/69/38/63/984693863.db2.gz RVUSVGRTEXVYJH-UHFFFAOYSA-N -1 0 389.405 0.632 20 0 GCADRM CCOC(=O)N[C@H](CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)CC(C)C ZINC001596657199 984697346 /nfs/dbraw/zinc/69/73/46/984697346.db2.gz CNNAOFYOOHHUFI-YNEHKIRRSA-N -1 0 387.433 0.662 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(=O)N(C)C ZINC001599891298 984697531 /nfs/dbraw/zinc/69/75/31/984697531.db2.gz JNDVJNFBSDEUMZ-VHSXEESVSA-N -1 0 382.442 0.140 20 0 GCADRM C[C@H](NC(=O)CCC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])c1ccccc1 ZINC001599892818 984715975 /nfs/dbraw/zinc/71/59/75/984715975.db2.gz DSNPUZQPZYHILG-ZFWWWQNUSA-N -1 0 396.465 0.744 20 0 GCADRM CCOC(=O)NCCCC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)[O-] ZINC001596663239 984719560 /nfs/dbraw/zinc/71/95/60/984719560.db2.gz OUZFZSYXUIWQHX-MNOVXSKESA-N -1 0 375.447 0.394 20 0 GCADRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001599893580 984724932 /nfs/dbraw/zinc/72/49/32/984724932.db2.gz OGLHGGLOQWBYDC-NSHDSACASA-N -1 0 378.406 0.827 20 0 GCADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001599893672 984726692 /nfs/dbraw/zinc/72/66/92/984726692.db2.gz YNXZKROBLAVIRW-JOYOIKCWSA-N -1 0 380.792 0.163 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1)C(=O)[O-] ZINC001599894882 984740884 /nfs/dbraw/zinc/74/08/84/984740884.db2.gz AGIFXBXPDSDVAT-IUCAKERBSA-N -1 0 383.351 0.778 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)COc1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC001599895688 984749579 /nfs/dbraw/zinc/74/95/79/984749579.db2.gz DCCAPLHLCHDXFH-RYUDHWBXSA-N -1 0 377.397 0.286 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CCc1nccc(C(F)(F)F)n1)C(=O)[O-] ZINC001599895663 984749642 /nfs/dbraw/zinc/74/96/42/984749642.db2.gz CDTGHFJCVWIUPG-IUCAKERBSA-N -1 0 391.350 0.657 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001599895791 984751226 /nfs/dbraw/zinc/75/12/26/984751226.db2.gz HUIYVPGEKHSTLY-SDDRHHMPSA-N -1 0 386.449 0.615 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC001599895870 984752308 /nfs/dbraw/zinc/75/23/08/984752308.db2.gz KFOMEJURMQEDGZ-UWVGGRQHSA-N -1 0 384.820 0.233 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)CCn1cc(Br)cn1)C(=O)[O-] ZINC001599896633 984760868 /nfs/dbraw/zinc/76/08/68/984760868.db2.gz YWZPMZTZQCVNNC-IUCAKERBSA-N -1 0 390.238 0.265 20 0 GCADRM CCOC(=O)[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)C[C@H]1C(F)(F)F ZINC001596679615 984763942 /nfs/dbraw/zinc/76/39/42/984763942.db2.gz FUDGSJCFMONVHE-GMTAPVOTSA-N -1 0 394.346 0.510 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001599897124 984767299 /nfs/dbraw/zinc/76/72/99/984767299.db2.gz ACPBZPIUMIEPNL-SDDRHHMPSA-N -1 0 386.449 0.615 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@H](c1c(F)cccc1F)N(C)C)C(=O)[O-] ZINC001599897299 984768762 /nfs/dbraw/zinc/76/87/62/984768762.db2.gz XWIXBWHJSBITKL-OUJBWJOFSA-N -1 0 386.399 0.845 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C(=O)[O-] ZINC001599897244 984769044 /nfs/dbraw/zinc/76/90/44/984769044.db2.gz CGLUOLLRHXABQL-RYUDHWBXSA-N -1 0 392.460 0.481 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCCc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001599898005 984777334 /nfs/dbraw/zinc/77/73/34/984777334.db2.gz RJVBPPJPNHTOEL-RYUDHWBXSA-N -1 0 379.413 0.667 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC2CC1(CNC(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001599897948 984777377 /nfs/dbraw/zinc/77/73/77/984777377.db2.gz QJDMQGQKDIGXHH-PFPSSNGNSA-N -1 0 398.460 0.663 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N(C)Cc1cc(Br)cn1C)C(=O)[O-] ZINC001599898026 984778514 /nfs/dbraw/zinc/77/85/14/984778514.db2.gz RGUFZUNFXRSCOV-IUCAKERBSA-N -1 0 389.250 0.907 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)C(=O)[O-] ZINC001599898699 984786875 /nfs/dbraw/zinc/78/68/75/984786875.db2.gz ZZCODXHKGOASSZ-YDHLFZDLSA-N -1 0 385.461 0.724 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc2ncc(Br)cn2n1)C(=O)[O-] ZINC001599898835 984788521 /nfs/dbraw/zinc/78/85/21/984788521.db2.gz BDRIMJNKTZJGSH-BQBZGAKWSA-N -1 0 384.190 0.199 20 0 GCADRM CCOC(=O)[C@H](COC)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001596687399 984789290 /nfs/dbraw/zinc/78/92/90/984789290.db2.gz GKPYERUHRFTTFG-LBPRGKRZSA-N -1 0 382.394 0.789 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1)C(=O)[O-] ZINC001599899399 984794607 /nfs/dbraw/zinc/79/46/07/984794607.db2.gz LBGWUIFPYXHBHB-UWVGGRQHSA-N -1 0 390.400 0.902 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001599899875 984799150 /nfs/dbraw/zinc/79/91/50/984799150.db2.gz RGDJYQVRYDEEMG-UWVGGRQHSA-N -1 0 386.430 0.036 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC001599899889 984800862 /nfs/dbraw/zinc/80/08/62/984800862.db2.gz RLZTWFSZLVKPHM-QWRGUYRKSA-N -1 0 398.441 0.326 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2)C(=O)[O-] ZINC001599899900 984800911 /nfs/dbraw/zinc/80/09/11/984800911.db2.gz SJFSNODYICXMFK-KSWSHJMHSA-N -1 0 399.444 0.106 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccccc1CN1CCNC1=O)C(=O)[O-] ZINC001599900107 984804713 /nfs/dbraw/zinc/80/47/13/984804713.db2.gz YMJCSWJGPYWSCT-QWRGUYRKSA-N -1 0 377.401 0.311 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccc(-n2cccn2)cc1)C(=O)[O-] ZINC001599900526 984815594 /nfs/dbraw/zinc/81/55/94/984815594.db2.gz WDPUWZCRJNGJEY-RYUDHWBXSA-N -1 0 380.426 0.270 20 0 GCADRM C/C(=C/CNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)[O-] ZINC001588974460 984816163 /nfs/dbraw/zinc/81/61/63/984816163.db2.gz ZVSSJMUUWCWRDF-ACQAZONXSA-N -1 0 375.425 0.787 20 0 GCADRM CCOC(=O)c1c(F)cccc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)[O-] ZINC001596697229 984857180 /nfs/dbraw/zinc/85/71/80/984857180.db2.gz LXSYDXOODFQZTL-DGCLKSJQSA-N -1 0 382.344 0.377 20 0 GCADRM C[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC001599902450 984864361 /nfs/dbraw/zinc/86/43/61/984864361.db2.gz GBVSDDPVBPXGFC-CPFSXVBKSA-N -1 0 386.407 0.970 20 0 GCADRM C[C@H](O)C1CCN(C(=O)C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CC1 ZINC001599903654 984891658 /nfs/dbraw/zinc/89/16/58/984891658.db2.gz XLNPMQGYRULITO-BTTVTARESA-N -1 0 384.498 0.851 20 0 GCADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001596706496 984908827 /nfs/dbraw/zinc/90/88/27/984908827.db2.gz LMWXGKSZTSQCKU-NOZJJQNGSA-N -1 0 375.374 0.770 20 0 GCADRM CCOC(=O)c1cc(NC(=O)N2CC(O)(C(=O)[O-])C2)cc(C(=O)OCC)c1 ZINC001596710230 984923131 /nfs/dbraw/zinc/92/31/31/984923131.db2.gz VPKORYOKTUNQHZ-UHFFFAOYSA-N -1 0 380.353 0.703 20 0 GCADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599906187 984925145 /nfs/dbraw/zinc/92/51/45/984925145.db2.gz UUKZNOMJNTUQQJ-GAFUQQFSSA-N -1 0 395.799 0.713 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)C[C@]1(C)C(=O)[O-] ZINC001599908963 984960312 /nfs/dbraw/zinc/96/03/12/984960312.db2.gz GWZCIEYZISVBEP-DJJJIMSYSA-N -1 0 379.457 0.417 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)Oc2ccccc2O3)C[C@@H](C(=O)[O-])O1 ZINC001599909872 984971270 /nfs/dbraw/zinc/97/12/70/984971270.db2.gz AOMVTTLHNGWDRN-FZMZJTMJSA-N -1 0 376.365 0.087 20 0 GCADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001596723737 984971331 /nfs/dbraw/zinc/97/13/31/984971331.db2.gz OPAATXSAAMATEI-LBPRGKRZSA-N -1 0 388.417 0.639 20 0 GCADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1 ZINC001596723808 984972549 /nfs/dbraw/zinc/97/25/49/984972549.db2.gz RWLARZYRRPRRPR-AAEUAGOBSA-N -1 0 375.374 0.601 20 0 GCADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC001596723988 984974407 /nfs/dbraw/zinc/97/44/07/984974407.db2.gz VTKOMXNNWJLOIG-CQSZACIVSA-N -1 0 389.401 0.849 20 0 GCADRM CCOC(=O)c1ccc(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)OC)c1 ZINC001596724138 984975128 /nfs/dbraw/zinc/97/51/28/984975128.db2.gz YWUQJJWGVFNMFE-UHFFFAOYSA-N -1 0 377.346 0.251 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC[C@H]1C(=O)[O-] ZINC001599910969 984984246 /nfs/dbraw/zinc/98/42/46/984984246.db2.gz MUZPJIIPPDNMLW-RWMBFGLXSA-N -1 0 378.404 0.485 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2CC2CCOCC2)CC[C@H]1C(=O)[O-] ZINC001599911206 984987255 /nfs/dbraw/zinc/98/72/55/984987255.db2.gz VMIGXZSZRIPNCC-CWRNSKLLSA-N -1 0 382.457 0.600 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)NCc2c(C(F)(F)F)cnn2C)C[C@]1(C)C(=O)[O-] ZINC001599911796 984995053 /nfs/dbraw/zinc/99/50/53/984995053.db2.gz KAUJKHFKHJUUTM-RTHLEPHNSA-N -1 0 376.335 0.624 20 0 GCADRM CCOC(=O)c1ccccc1S(=O)(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001596731701 985000655 /nfs/dbraw/zinc/00/06/55/985000655.db2.gz CRYIJIWVJKLPHA-MRXNPFEDSA-N -1 0 381.410 0.882 20 0 GCADRM CCOC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)OC ZINC001596731818 985002768 /nfs/dbraw/zinc/00/27/68/985002768.db2.gz IVXWKTAKIBCKSF-AAEUAGOBSA-N -1 0 399.421 0.890 20 0 GCADRM CCOC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)[O-] ZINC001596731838 985002913 /nfs/dbraw/zinc/00/29/13/985002913.db2.gz JNLWMDGGPXXKNB-AAEUAGOBSA-N -1 0 399.421 0.890 20 0 GCADRM CCOC(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC001596731840 985002983 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GCADRM CC(=O)CCc1ccc(OCC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1 ZINC001589034616 985072491 /nfs/dbraw/zinc/07/24/91/985072491.db2.gz FAJYUIYDLAYICV-OAHLLOKOSA-N -1 0 397.449 0.687 20 0 GCADRM C[C@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCN1S(C)(=O)=O ZINC001599919092 985104539 /nfs/dbraw/zinc/10/45/39/985104539.db2.gz IIKHKZYFOOWWRR-AJAZOQAWSA-N -1 0 389.474 0.074 20 0 GCADRM C[C@H]1CN(C(=O)NCCS(=O)(=O)CCc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599919972 985117926 /nfs/dbraw/zinc/11/79/26/985117926.db2.gz PFNOEQLJUUGLDY-ZFWWWQNUSA-N -1 0 384.454 0.527 20 0 GCADRM CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)c1 ZINC001589046361 985120265 /nfs/dbraw/zinc/12/02/65/985120265.db2.gz SJMFRYOHDPBCCF-GFCCVEGCSA-N -1 0 379.438 0.884 20 0 GCADRM C[C@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599920191 985121012 /nfs/dbraw/zinc/12/10/12/985121012.db2.gz IIVYCTINDACETC-STQMWFEESA-N -1 0 396.444 0.515 20 0 GCADRM CC(=O)N(CC(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001589047342 985130119 /nfs/dbraw/zinc/13/01/19/985130119.db2.gz LGRCDEVIMMOGHM-UHFFFAOYSA-N -1 0 383.408 0.877 20 0 GCADRM CCOC(=O)c1sc(N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)nc1C ZINC001596755741 985130738 /nfs/dbraw/zinc/13/07/38/985130738.db2.gz HLSGDBNNSUQDON-JTQLQIEISA-N -1 0 383.426 0.914 20 0 GCADRM C[C@H]1CN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)C[C@@H](C(=O)[O-])O1 ZINC001599920896 985131784 /nfs/dbraw/zinc/13/17/84/985131784.db2.gz WMVWLLSGJKMIJW-LOWVWBTDSA-N -1 0 384.410 0.105 20 0 GCADRM CC(=O)N(CCc1ccccc1)CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001589050933 985133405 /nfs/dbraw/zinc/13/34/05/985133405.db2.gz BGBUGCGBAIVWFV-INIZCTEOSA-N -1 0 396.465 0.178 20 0 GCADRM CCOC(=O)c1sc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1C ZINC001596756062 985133625 /nfs/dbraw/zinc/13/36/25/985133625.db2.gz MCWGYIAWZNWVOH-MWLCHTKSSA-N -1 0 384.410 0.608 20 0 GCADRM CCOC(=O)c1sc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1C ZINC001596756065 985133713 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CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc(C(=O)[O-])nn3)C[C@@H]2C1 ZINC001590073303 989155033 /nfs/dbraw/zinc/15/50/33/989155033.db2.gz RMNQYJBQCJXWTR-NEPJUHHUSA-N -1 0 379.417 0.692 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001590073280 989155197 /nfs/dbraw/zinc/15/51/97/989155197.db2.gz QAWWWSBAWQUIKI-SNVBAGLBSA-N -1 0 376.431 0.144 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599860181 989155334 /nfs/dbraw/zinc/15/53/34/989155334.db2.gz AKLZMKBVERTUEX-CJNGLKHVSA-N -1 0 390.440 0.780 20 0 GCADRM CCc1noc2ncc(S(=O)(=O)N3CC(n4cc(C(=O)[O-])nn4)C3)cc12 ZINC001597754441 989157725 /nfs/dbraw/zinc/15/77/25/989157725.db2.gz HNPHORIPWZXANG-UHFFFAOYSA-N -1 0 378.370 0.321 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001590073913 989159919 /nfs/dbraw/zinc/15/99/19/989159919.db2.gz XJRIVOHUNZTKDN-GHMZBOCLSA-N -1 0 376.431 0.096 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001590074241 989161288 /nfs/dbraw/zinc/16/12/88/989161288.db2.gz GRHLJWHJWKENAF-VXGBXAGGSA-N -1 0 390.458 0.344 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001590074239 989161384 /nfs/dbraw/zinc/16/13/84/989161384.db2.gz GRHLJWHJWKENAF-NEPJUHHUSA-N -1 0 390.458 0.344 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001590074372 989162466 /nfs/dbraw/zinc/16/24/66/989162466.db2.gz JKPHLWZCSIYDGG-JTQLQIEISA-N -1 0 378.385 0.844 20 0 GCADRM C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1Nc1ncc(C(=O)[O-])cn1 ZINC001599860862 989165947 /nfs/dbraw/zinc/16/59/47/989165947.db2.gz SXUFMTXFBSNGJA-BGNCJLHMSA-N -1 0 376.413 0.485 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)[O-])c2C1 ZINC001590082813 989186735 /nfs/dbraw/zinc/18/67/35/989186735.db2.gz NVHHLJRFLHUIQH-BXKDBHETSA-N -1 0 380.401 0.363 20 0 GCADRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CN1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001599862345 989189938 /nfs/dbraw/zinc/18/99/38/989189938.db2.gz PPGWNAIUZZGJGV-JHJVBQTASA-N -1 0 376.475 0.673 20 0 GCADRM C[C@@H]1CN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C[C@@H](C(=O)[O-])O1 ZINC001599863024 989200142 /nfs/dbraw/zinc/20/01/42/989200142.db2.gz DQBGRVQBSXKMPM-KCJUWKMLSA-N -1 0 396.201 0.739 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001590091548 989206997 /nfs/dbraw/zinc/20/69/97/989206997.db2.gz LSAFYBKPFISRKP-RKDXNWHRSA-N -1 0 376.387 0.236 20 0 GCADRM C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@@H](C(=O)[O-])O1 ZINC001599863796 989210689 /nfs/dbraw/zinc/21/06/89/989210689.db2.gz WPUFEVNKSLCPLV-RNCFNFMXSA-N -1 0 394.405 0.308 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CO1 ZINC001590091971 989214301 /nfs/dbraw/zinc/21/43/01/989214301.db2.gz BVSCLWKLZNVFTM-QLJPJBMISA-N -1 0 384.389 0.552 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCCn2ccc(C(=O)[O-])n2)[C@@H](O)C1 ZINC001590096844 989223276 /nfs/dbraw/zinc/22/32/76/989223276.db2.gz BXHLUCKYWQGSCP-OLZOCXBDSA-N -1 0 382.417 0.458 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ocnc2C(=O)[O-])C1 ZINC001590098391 989230443 /nfs/dbraw/zinc/23/04/43/989230443.db2.gz XUWBESRWEJVYDU-BMLIUANNSA-N -1 0 381.385 0.873 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001590099916 989241763 /nfs/dbraw/zinc/24/17/63/989241763.db2.gz AKEOWQSHPGWWQN-VFVRVIDISA-N -1 0 384.429 0.715 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(CN2CCNC2=O)CC1 ZINC001597777658 989250854 /nfs/dbraw/zinc/25/08/54/989250854.db2.gz DWXHPOYQBHCLJX-UHFFFAOYSA-N -1 0 385.442 0.966 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001590105239 989253626 /nfs/dbraw/zinc/25/36/26/989253626.db2.gz BJCFLUVCMOOGLE-OASPWFOLSA-N -1 0 380.401 0.807 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(O)(c2nccn2C)CC1 ZINC001597778221 989255637 /nfs/dbraw/zinc/25/56/37/989255637.db2.gz QFVXQSFESZINOF-UHFFFAOYSA-N -1 0 383.426 0.946 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC001597778325 989257123 /nfs/dbraw/zinc/25/71/23/989257123.db2.gz BCJWFYYJAGTOKN-SNVBAGLBSA-N -1 0 394.471 0.490 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590105558 989257258 /nfs/dbraw/zinc/25/72/58/989257258.db2.gz KHOICSGSXSKIKZ-GFCCVEGCSA-N -1 0 380.401 0.952 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCc2cnccn2)CC1 ZINC001597778372 989258244 /nfs/dbraw/zinc/25/82/44/989258244.db2.gz BRCVFUXINVKQHE-UHFFFAOYSA-N -1 0 394.453 0.879 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001597779049 989266090 /nfs/dbraw/zinc/26/60/90/989266090.db2.gz LTBRYIURUXKRRT-LBPRGKRZSA-N -1 0 386.426 0.552 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC001597779173 989267153 /nfs/dbraw/zinc/26/71/53/989267153.db2.gz MOWATDXCDFLBQV-UHFFFAOYSA-N -1 0 384.332 0.935 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC001597781418 989282937 /nfs/dbraw/zinc/28/29/37/989282937.db2.gz WYQUMBSEEMAYLF-GASCZTMLSA-N -1 0 391.467 0.986 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599867649 989297172 /nfs/dbraw/zinc/29/71/72/989297172.db2.gz GTXUNUOFBSYDBW-KBMXLJTQSA-N -1 0 396.465 0.795 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])C(F)F ZINC001590113502 989298503 /nfs/dbraw/zinc/29/85/03/989298503.db2.gz SWGILAYMXZKOML-NXEZZACHSA-N -1 0 393.387 0.727 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001590115420 989304220 /nfs/dbraw/zinc/30/42/20/989304220.db2.gz AIPDWDHYAKNYTP-GRYCIOLGSA-N -1 0 385.417 0.701 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@]3(O)CCOC3)n2C[C@@H]2CCOC2)C[C@H]1CC(=O)[O-] ZINC001599869236 989321866 /nfs/dbraw/zinc/32/18/66/989321866.db2.gz BLAAAOYUNOMPBO-KYZVSKTDSA-N -1 0 380.445 0.470 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001590117546 989323157 /nfs/dbraw/zinc/32/31/57/989323157.db2.gz RKXSJNXITBPWEK-UWVGGRQHSA-N -1 0 393.387 0.727 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599869313 989323979 /nfs/dbraw/zinc/32/39/79/989323979.db2.gz BULJXHZXJBDHAE-RTXFEEFZSA-N -1 0 384.458 0.269 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC001590117775 989325896 /nfs/dbraw/zinc/32/58/96/989325896.db2.gz NVEIABOUOPCBMO-GHMZBOCLSA-N -1 0 383.401 0.151 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@H]3CNC(=O)C3)n2Cc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599869751 989329369 /nfs/dbraw/zinc/32/93/69/989329369.db2.gz HEFPNLHLICIWLI-SNPRPXQTSA-N -1 0 385.424 0.608 20 0 GCADRM C[C@@H]1CN(c2nnc([C@]3(O)CCOC3)n2C[C@H]2CCCCO2)C[C@H]1C(=O)[O-] ZINC001599869790 989330347 /nfs/dbraw/zinc/33/03/47/989330347.db2.gz IEJIJWCNBHTPJR-MMQJMDILSA-N -1 0 380.445 0.612 20 0 GCADRM C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001599870144 989335963 /nfs/dbraw/zinc/33/59/63/989335963.db2.gz LXDXHPWARKMHFS-MGPQQGTHSA-N -1 0 377.445 0.736 20 0 GCADRM C[C@@H]1CN(c2nnc(CN3CCC[C@H](O)C3)n2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599870397 989339770 /nfs/dbraw/zinc/33/97/70/989339770.db2.gz QTORWSJKFSVARL-SNPRPXQTSA-N -1 0 379.461 0.323 20 0 GCADRM C[C@@H]1COCCN1C(=O)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001599871709 989359587 /nfs/dbraw/zinc/35/95/87/989359587.db2.gz MITZCWJJPGUFCC-LLVKDONJSA-N -1 0 381.454 0.870 20 0 GCADRM C[C@@H]1CN(c2nnnn2C[C@@H]2CSc3ccccc3O2)C[C@@H](C(=O)[O-])O1 ZINC001599872488 989370955 /nfs/dbraw/zinc/37/09/55/989370955.db2.gz VTKJLBILPDYWPC-WZRBSPASSA-N -1 0 377.426 0.905 20 0 GCADRM C[C@@H]1CN(c2nnnn2CC[C@H]2CC[C@H](C(F)(F)F)O2)C[C@@H](C(=O)[O-])O1 ZINC001599872554 989372216 /nfs/dbraw/zinc/37/22/16/989372216.db2.gz WZTOGIUDVLZIML-CHWFTXMASA-N -1 0 379.339 0.851 20 0 GCADRM C[C@@H]1C[C@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001599874130 989396615 /nfs/dbraw/zinc/39/66/15/989396615.db2.gz WABXJIATONJWNS-UPJWGTAASA-N -1 0 381.433 0.883 20 0 GCADRM C[C@@H]1C[C@H](C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)O[C@H]1C(=O)[O-] ZINC001599875298 989410086 /nfs/dbraw/zinc/41/00/86/989410086.db2.gz SQUHVFWLDOMFGI-DJIMGWMZSA-N -1 0 395.500 0.705 20 0 GCADRM C[C@@H]1C[C@H](C(=O)Nc2cnn(C)c2I)O[C@H]1C(=O)[O-] ZINC001599876667 989427865 /nfs/dbraw/zinc/42/78/65/989427865.db2.gz INBPSLSVQISVNE-LPBLVHEISA-N -1 0 379.154 0.841 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC001590148275 989439465 /nfs/dbraw/zinc/43/94/65/989439465.db2.gz WFIZLARNTNHABD-ACJLOTCBSA-N -1 0 385.461 0.678 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NC[C@H](O)CC(=O)[O-])cc21 ZINC001590148514 989441497 /nfs/dbraw/zinc/44/14/97/989441497.db2.gz RMACNAROOCHRSQ-GHMZBOCLSA-N -1 0 382.417 0.808 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CCc1ccccc1)CC(=O)[O-] 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CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)ccc1C ZINC001598674834 994823505 /nfs/dbraw/zinc/82/35/05/994823505.db2.gz ZAFPJMBPMFOYSM-NSHDSACASA-N -1 0 381.410 0.131 20 0 GCADRM CNS(=O)(=O)c1ccc(N2CCN(c3nccc(C(=O)[O-])n3)CC2)cc1 ZINC001598675303 994832587 /nfs/dbraw/zinc/83/25/87/994832587.db2.gz OOCVRQKXQSBUMU-UHFFFAOYSA-N -1 0 377.426 0.410 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001598675416 994834591 /nfs/dbraw/zinc/83/45/91/994834591.db2.gz UNDQMAAIWZCEJW-UHFFFAOYSA-N -1 0 392.437 0.981 20 0 GCADRM CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C(=O)[O-])[nH]3)CC2)cc1 ZINC001598675503 994835899 /nfs/dbraw/zinc/83/58/99/994835899.db2.gz ZZOMZSYWBRGEEQ-UHFFFAOYSA-N -1 0 392.437 0.583 20 0 GCADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001598675484 994836028 /nfs/dbraw/zinc/83/60/28/994836028.db2.gz YKPCLUZKBIQBET-LBPRGKRZSA-N -1 0 386.817 0.537 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001598675528 994836251 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20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001598675992 994844563 /nfs/dbraw/zinc/84/45/63/994844563.db2.gz UAVRZMLBCZXFDV-NWDGAFQWSA-N -1 0 385.442 0.762 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])c1 ZINC001598676240 994848925 /nfs/dbraw/zinc/84/89/25/994848925.db2.gz BNWJGHLRDHLQJA-WCQYABFASA-N -1 0 384.410 0.073 20 0 GCADRM CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)C2(C(=O)[O-])CCC2)c1 ZINC001598676490 994853174 /nfs/dbraw/zinc/85/31/74/994853174.db2.gz JGRCABNTTNHHSN-JTQLQIEISA-N -1 0 376.456 0.582 20 0 GCADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])nn2C)c1 ZINC001598676778 994858632 /nfs/dbraw/zinc/85/86/32/994858632.db2.gz NMQDPMIBUZVUMD-VIFPVBQESA-N -1 0 381.414 0.909 20 0 GCADRM CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001598676767 994858637 /nfs/dbraw/zinc/85/86/37/994858637.db2.gz MUZXVUKZNUDIFZ-SUHUHFCYSA-N -1 0 390.483 0.828 20 0 GCADRM 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GCADRM COc1cccc(NC(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001599679203 994950990 /nfs/dbraw/zinc/95/09/90/994950990.db2.gz VUSBFVBMUOOQTA-ZDUSSCGKSA-N -1 0 379.413 0.674 20 0 GCADRM COc1cccc(N2CC[C@@H](NC(=O)NCCC(=O)NCCC(=O)[O-])C2)c1 ZINC001599679507 994955295 /nfs/dbraw/zinc/95/52/95/994955295.db2.gz VHMZHEAELKKUPJ-CYBMUJFWSA-N -1 0 378.429 0.554 20 0 GCADRM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C1 ZINC001598683425 994969257 /nfs/dbraw/zinc/96/92/57/994969257.db2.gz VDLDZVYNFWATCX-UPJWGTAASA-N -1 0 384.429 0.125 20 0 GCADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001593353057 994971858 /nfs/dbraw/zinc/97/18/58/994971858.db2.gz LLQZCIFGZWJJKN-XVKPBYJWSA-N -1 0 379.232 0.629 20 0 GCADRM C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC1CC1 ZINC001593353002 994971922 /nfs/dbraw/zinc/97/19/22/994971922.db2.gz JZVKVQVZEDMETK-LLVKDONJSA-N -1 0 385.490 0.989 20 0 GCADRM COc1cccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1F ZINC001599681460 994988820 /nfs/dbraw/zinc/98/88/20/994988820.db2.gz XJNNEVBEDNKQLN-UHFFFAOYSA-N -1 0 376.406 0.242 20 0 GCADRM COc1cccc(OCCCNC(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC001599681892 994995866 /nfs/dbraw/zinc/99/58/66/994995866.db2.gz JYOAJOBXXMOZJA-OAHLLOKOSA-N -1 0 380.397 0.282 20 0 GCADRM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001598688704 995031094 /nfs/dbraw/zinc/03/10/94/995031094.db2.gz HPOLFCMEHKUDGM-VIFPVBQESA-N -1 0 375.399 0.832 20 0 GCADRM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001598689491 995041291 /nfs/dbraw/zinc/04/12/91/995041291.db2.gz ZBKYFPQLWOOZFE-SNVBAGLBSA-N -1 0 376.456 0.707 20 0 GCADRM COC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC001598689943 995049672 /nfs/dbraw/zinc/04/96/72/995049672.db2.gz AMBILWZKGLKSHR-NSHDSACASA-N -1 0 399.421 0.890 20 0 GCADRM COC(=O)[C@H](C)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC001598691155 995067949 /nfs/dbraw/zinc/06/79/49/995067949.db2.gz 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COC(=O)[C@@H]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)[C@H](C(=O)[O-])C1 ZINC001598795340 996106180 /nfs/dbraw/zinc/10/61/80/996106180.db2.gz OGDRGBMDIBQGMK-OCCSQVGLSA-N -1 0 388.376 0.818 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)[C@@H](C(=O)[O-])C1 ZINC001598795793 996109336 /nfs/dbraw/zinc/10/93/36/996109336.db2.gz ZCBQDNVLZJHIHB-OUAUKWLOSA-N -1 0 383.426 0.712 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](C(=O)[O-])C1 ZINC001598797582 996118029 /nfs/dbraw/zinc/11/80/29/996118029.db2.gz FBRXOWDKBUHXCA-BXUZGUMPSA-N -1 0 396.421 0.598 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)[C@H](C(=O)[O-])C1 ZINC001598797583 996118172 /nfs/dbraw/zinc/11/81/72/996118172.db2.gz FBRXOWDKBUHXCA-FZMZJTMJSA-N -1 0 396.421 0.598 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H](C(=O)[O-])C1 ZINC001598797560 996118194 /nfs/dbraw/zinc/11/81/94/996118194.db2.gz DTDIDENWISFULV-JOYOIKCWSA-N -1 0 398.393 0.158 20 0 GCADRM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593685991 996120285 /nfs/dbraw/zinc/12/02/85/996120285.db2.gz IBIAWMZVYAFFCD-LBPRGKRZSA-N -1 0 384.400 0.960 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)[C@H](C(=O)[O-])C1 ZINC001598797762 996120439 /nfs/dbraw/zinc/12/04/39/996120439.db2.gz YPORQUGMANEEOY-DOMZBBRYSA-N -1 0 390.371 0.944 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)[C@@H](C(=O)[O-])C1 ZINC001598798181 996122203 /nfs/dbraw/zinc/12/22/03/996122203.db2.gz HPLZIFJLASHRKX-GXTWGEPZSA-N -1 0 398.437 0.980 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001598798537 996123682 /nfs/dbraw/zinc/12/36/82/996123682.db2.gz JNLMHMNPSRGKKQ-WPRPVWTQSA-N -1 0 381.357 0.175 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)CCOCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC001598798531 996123796 /nfs/dbraw/zinc/12/37/96/996123796.db2.gz JEUUPKXXXZFNDD-GJZGRUSLSA-N -1 0 385.438 0.871 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc3c2OCCCO3)[C@@H](C(=O)[O-])C1 ZINC001598798510 996123840 /nfs/dbraw/zinc/12/38/40/996123840.db2.gz IYLOVTUKYUBTNL-NWDGAFQWSA-N -1 0 399.421 0.875 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]([C@H]2CCCO2)C1 ZINC001598798492 996123922 /nfs/dbraw/zinc/12/39/22/996123922.db2.gz IFILMOFVFVWSNN-ADEWGFFLSA-N -1 0 387.414 0.229 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)[C@@H](C(=O)[O-])C1 ZINC001598798984 996126200 /nfs/dbraw/zinc/12/62/00/996126200.db2.gz KKNARPMTVNVLRZ-WCQYABFASA-N -1 0 395.389 0.820 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])CC1 ZINC001598799495 996129243 /nfs/dbraw/zinc/12/92/43/996129243.db2.gz NLUDHSODLLAMTI-CQSZACIVSA-N -1 0 386.426 0.238 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)CCc2ccc(OC)cc2)[C@H](C(=O)[O-])C1 ZINC001598799947 996131731 /nfs/dbraw/zinc/13/17/31/996131731.db2.gz QLHORUHBRADLSN-ZFWWWQNUSA-N -1 0 385.438 0.906 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)[C@@H](C(=O)[O-])C1 ZINC001598800290 996134077 /nfs/dbraw/zinc/13/40/77/996134077.db2.gz SOKUWTVVHJFXOB-WCBMZHEXSA-N -1 0 385.423 0.718 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C(=O)OC)C1 ZINC001598800517 996135757 /nfs/dbraw/zinc/13/57/57/996135757.db2.gz UTKNRNQVVLOHBY-TZMCWYRMSA-N -1 0 399.421 0.429 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c2ccccc2O1 ZINC001598801928 996145443 /nfs/dbraw/zinc/14/54/43/996145443.db2.gz ACHNPDHFPXQWAE-GYSYKLTISA-N -1 0 376.365 0.275 20 0 GCADRM COC(=O)[C@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801868 996145503 /nfs/dbraw/zinc/14/55/03/996145503.db2.gz VMSXHGIOSPEFJM-SWLSCSKDSA-N -1 0 385.438 0.807 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c2ccccc2O1 ZINC001598801929 996145525 /nfs/dbraw/zinc/14/55/25/996145525.db2.gz ACHNPDHFPXQWAE-MJVIPROJSA-N -1 0 376.365 0.275 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]([C@@H]2CCCO2)C1 ZINC001598802811 996155288 /nfs/dbraw/zinc/15/52/88/996155288.db2.gz IWSYAFGJTRFJRS-AGIUHOORSA-N -1 0 377.459 0.860 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@H](C(=O)[O-])C1 ZINC001598803061 996158311 /nfs/dbraw/zinc/15/83/11/996158311.db2.gz JOKZJSRTESCDRD-ONGXEEELSA-N -1 0 376.456 0.526 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2C)C[C@H]1C(=O)[O-] ZINC001598803189 996158664 /nfs/dbraw/zinc/15/86/64/996158664.db2.gz JMHFPOBJKKWVLS-CABCVRRESA-N -1 0 376.409 0.328 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2c(F)cccc2F)C[C@H]1C(=O)[O-] ZINC001598803131 996158871 /nfs/dbraw/zinc/15/88/71/996158871.db2.gz IWQSGNXFGLXPCQ-ZJUUUORDSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2noc(CNC(=O)OC(C)(C)C)n2)[C@H](C(=O)[O-])C1 ZINC001598803197 996159398 /nfs/dbraw/zinc/15/93/98/996159398.db2.gz KGUWMBBOXZNDAV-QWRGUYRKSA-N -1 0 398.416 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)C[C@H]1C(=O)[O-] ZINC001598804446 996170943 /nfs/dbraw/zinc/17/09/43/996170943.db2.gz WBXSIEOVGCYZKO-UPJWGTAASA-N -1 0 380.422 0.744 20 0 GCADRM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593700035 996174134 /nfs/dbraw/zinc/17/41/34/996174134.db2.gz SWDXESFFVCHEBO-IUODEOHRSA-N -1 0 396.465 0.933 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804985 996177054 /nfs/dbraw/zinc/17/70/54/996177054.db2.gz VGTAJRWABPKLOL-ZFWWWQNUSA-N -1 0 384.454 0.775 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805151 996178193 /nfs/dbraw/zinc/17/81/93/996178193.db2.gz ZFBLNAKEWRZYNW-GJZGRUSLSA-N -1 0 376.409 0.410 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001598805316 996180342 /nfs/dbraw/zinc/18/03/42/996180342.db2.gz WEBXTXLFEFEXIO-ZYHUDNBSSA-N -1 0 390.845 0.826 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)C[C@@H]1C(=O)[O-] ZINC001598805474 996181821 /nfs/dbraw/zinc/18/18/21/996181821.db2.gz CSYITMXOMWKKNR-DSYKOEDSSA-N -1 0 380.279 0.665 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)C[C@H]1C(=O)[O-] ZINC001598805463 996181892 /nfs/dbraw/zinc/18/18/92/996181892.db2.gz CJWZORBJZLVAJE-HKUMRIAESA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598805498 996181899 /nfs/dbraw/zinc/18/18/99/996181899.db2.gz DLACJFABWVLHNT-IACUBPJLSA-N -1 0 392.383 0.819 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(Cn3ccnc3)c2)C[C@H]1C(=O)[O-] ZINC001598806255 996189446 /nfs/dbraw/zinc/18/94/46/996189446.db2.gz COJVFAJLQIBIKI-CVEARBPZSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2cnc3c(Cl)cnn3c2)C[C@H]1C(=O)[O-] ZINC001598806435 996191688 /nfs/dbraw/zinc/19/16/88/996191688.db2.gz CVCYQWYBGHKJLS-GHMZBOCLSA-N -1 0 395.803 0.440 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)C[C@@H]1C(=O)[O-] ZINC001598806654 996193745 /nfs/dbraw/zinc/19/37/45/996193745.db2.gz IFFLITJPPZBUCW-STQMWFEESA-N -1 0 375.377 0.822 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)C[C@@H]1C(=O)[O-] ZINC001598806653 996193792 /nfs/dbraw/zinc/19/37/92/996193792.db2.gz IFFLITJPPZBUCW-QWHCGFSZSA-N -1 0 375.377 0.822 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C[C@H]1C(=O)[O-] ZINC001598807332 996199588 /nfs/dbraw/zinc/19/95/88/996199588.db2.gz LYGQBSBRDIGMAU-ARFHVFGLSA-N -1 0 388.420 0.676 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2Br)C[C@H]1C(=O)[O-] ZINC001598807383 996199630 /nfs/dbraw/zinc/19/96/30/996199630.db2.gz MFBPFQMMUJOADV-FOGDFJRCSA-N -1 0 385.214 0.781 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C[C@H]1C(=O)[O-] ZINC001598807373 996199686 /nfs/dbraw/zinc/19/96/86/996199686.db2.gz MEAXJTVCASZDFJ-IIAWOOMASA-N -1 0 387.392 0.543 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCn2cc(Br)cn2)C[C@H]1C(=O)[O-] ZINC001598807440 996200217 /nfs/dbraw/zinc/20/02/17/996200217.db2.gz IZPBYCFQEMNFBZ-NXEZZACHSA-N -1 0 389.206 0.161 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)C[C@@H]1C(=O)[O-] ZINC001598807486 996201066 /nfs/dbraw/zinc/20/10/66/996201066.db2.gz JZZJLUJSSISDQH-YNEHKIRRSA-N -1 0 377.397 0.278 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@H]1C(=O)[O-] ZINC001598807679 996202878 /nfs/dbraw/zinc/20/28/78/996202878.db2.gz JNIIFFKDNUOVSU-KGLIPLIRSA-N -1 0 391.428 0.400 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)C[C@@H]1C(=O)[O-] ZINC001598807813 996203262 /nfs/dbraw/zinc/20/32/62/996203262.db2.gz LHDWSXVFSRFADJ-GZBLMMOJSA-N -1 0 381.429 0.149 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598807921 996204656 /nfs/dbraw/zinc/20/46/56/996204656.db2.gz LSVCVGNLVCUJRJ-LEWSCRJBSA-N -1 0 389.408 0.782 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC001598807954 996204794 /nfs/dbraw/zinc/20/47/94/996204794.db2.gz LXIUUOWDHAPWFB-BFHYXJOUSA-N -1 0 396.444 0.182 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(Br)cnn2C)C[C@@H]1C(=O)[O-] ZINC001598808456 996209195 /nfs/dbraw/zinc/20/91/95/996209195.db2.gz MBCFRCNMSRYJKY-JGVFFNPUSA-N -1 0 389.206 0.198 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c2ccccc2O1 ZINC001598808991 996213622 /nfs/dbraw/zinc/21/36/22/996213622.db2.gz GMTJFCFKZGFPIE-FZMZJTMJSA-N -1 0 376.365 0.277 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c2ccc(F)cc2O1 ZINC001598809187 996215308 /nfs/dbraw/zinc/21/53/08/996215308.db2.gz GVZNUVPZMZODEE-BXUZGUMPSA-N -1 0 394.355 0.416 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C[C@@H]1C(=O)[O-] ZINC001598809556 996218428 /nfs/dbraw/zinc/21/84/28/996218428.db2.gz SMRZBYWDADHRIJ-FJGURNMVSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001598809565 996219091 /nfs/dbraw/zinc/21/90/91/996219091.db2.gz SMRZBYWDADHRIJ-VIGLNQMMSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598809966 996222307 /nfs/dbraw/zinc/22/23/07/996222307.db2.gz SGCLHHWKTINYRE-STQMWFEESA-N -1 0 385.417 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598809916 996222333 /nfs/dbraw/zinc/22/23/33/996222333.db2.gz VASMIKNLARBYCL-HLHCEBLESA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCOc2cccc(OC)c2)C[C@H]1C(=O)[O-] ZINC001598810216 996224806 /nfs/dbraw/zinc/22/48/06/996224806.db2.gz SOJBCDQJDSBBMR-HUUCEWRRSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598810623 996228649 /nfs/dbraw/zinc/22/86/49/996228649.db2.gz USDWJMUGLLFZFZ-ZDEQEGDKSA-N -1 0 399.444 0.805 20 0 GCADRM C[C@@H](c1ccccc1)N1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001593714224 996228876 /nfs/dbraw/zinc/22/88/76/996228876.db2.gz UTRORDHHWYAECR-ZDUSSCGKSA-N -1 0 385.424 0.962 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)C[C@H]1C(=O)[O-] ZINC001598810706 996229201 /nfs/dbraw/zinc/22/92/01/996229201.db2.gz XFEXDEKMVSMOMR-LPMFXHHGSA-N -1 0 375.377 0.799 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598810846 996230525 /nfs/dbraw/zinc/23/05/25/996230525.db2.gz LXOFWVGTPJGKIY-GJZGRUSLSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C[C@H]1C(=O)[O-] ZINC001598811086 996231890 /nfs/dbraw/zinc/23/18/90/996231890.db2.gz YNZYYNKMZDGYFK-DIABFLQPSA-N -1 0 386.364 0.390 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C[C@H]1C(=O)OC ZINC001598811589 996235952 /nfs/dbraw/zinc/23/59/52/996235952.db2.gz ATXZGFVZYZULKL-PHIMTYICSA-N -1 0 390.352 0.687 20 0 GCADRM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001593717642 996236357 /nfs/dbraw/zinc/23/63/57/996236357.db2.gz OPFHGYRGLXSXHX-BXUZGUMPSA-N -1 0 379.388 0.719 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C[C@@H]1C(=O)[O-] ZINC001598811630 996236812 /nfs/dbraw/zinc/23/68/12/996236812.db2.gz YIKNSGSJDDWIEJ-SDDRHHMPSA-N -1 0 396.831 0.829 20 0 GCADRM C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001593718113 996238698 /nfs/dbraw/zinc/23/86/98/996238698.db2.gz XRQLTPLHORRFGA-SMDDNHRTSA-N -1 0 389.387 0.984 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598811942 996238695 /nfs/dbraw/zinc/23/86/95/996238695.db2.gz OQPHCAYFXMQFKH-OLZOCXBDSA-N -1 0 393.392 0.999 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598811894 996238871 /nfs/dbraw/zinc/23/88/71/996238871.db2.gz XLNBJYFYKYVRFB-CHWSQXEVSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598812268 996242015 /nfs/dbraw/zinc/24/20/15/996242015.db2.gz ZQLUMEVUMKDMIH-QJPTWQEYSA-N -1 0 387.433 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598812420 996242986 /nfs/dbraw/zinc/24/29/86/996242986.db2.gz PIWDFQFYTAVFGE-UONOGXRCSA-N -1 0 383.422 0.355 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C[C@H]1C(=O)[O-] ZINC001598812548 996244325 /nfs/dbraw/zinc/24/43/25/996244325.db2.gz QOCCVUDPVIPCQM-VXGBXAGGSA-N -1 0 380.363 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598814004 996254135 /nfs/dbraw/zinc/25/41/35/996254135.db2.gz BCDLLGPOHCRJNY-GJZGRUSLSA-N -1 0 391.380 0.549 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598814087 996254672 /nfs/dbraw/zinc/25/46/72/996254672.db2.gz XAMZGUREDOJHSV-UWVGGRQHSA-N -1 0 398.318 0.337 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)C[C@@H]1C(=O)[O-] ZINC001598814149 996255038 /nfs/dbraw/zinc/25/50/38/996255038.db2.gz XPCWQKHXEFAFMN-SDDRHHMPSA-N -1 0 388.417 0.248 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598814244 996256552 /nfs/dbraw/zinc/25/65/52/996256552.db2.gz BQGOYRSVXDZWHZ-GHMZBOCLSA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC001598814482 996258388 /nfs/dbraw/zinc/25/83/88/996258388.db2.gz YLLLYYCMJUNVES-HUUCEWRRSA-N -1 0 389.408 0.087 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598814549 996258897 /nfs/dbraw/zinc/25/88/97/996258897.db2.gz ZGHVIEHBFLCBRR-MNOVXSKESA-N -1 0 383.784 0.986 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)C[C@@H]1C(=O)[O-] ZINC001598814548 996259090 /nfs/dbraw/zinc/25/90/90/996259090.db2.gz IYGJKQUPUUANSS-GJZGRUSLSA-N -1 0 375.381 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)C[C@H]1C(=O)[O-] ZINC001598814703 996260271 /nfs/dbraw/zinc/26/02/71/996260271.db2.gz CSTVNCCNVABCFV-NEPJUHHUSA-N -1 0 378.381 0.983 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598815215 996264948 /nfs/dbraw/zinc/26/49/48/996264948.db2.gz LTHXECZOCBFXRZ-GHMZBOCLSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2cncn2)C[C@@H]1C(=O)[O-] ZINC001598815240 996264987 /nfs/dbraw/zinc/26/49/87/996264987.db2.gz GJOAPFDHKDDSMJ-RYUDHWBXSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598815335 996265610 /nfs/dbraw/zinc/26/56/10/996265610.db2.gz OYURTHSIYAZZNT-HAKKBZAZSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C[C@H]1C(=O)[O-] ZINC001598816094 996272314 /nfs/dbraw/zinc/27/23/14/996272314.db2.gz AORHWWUTPWATQY-KGLIPLIRSA-N -1 0 390.371 0.720 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001598816263 996273763 /nfs/dbraw/zinc/27/37/63/996273763.db2.gz QMBRYFJLJVLVDT-KGLIPLIRSA-N -1 0 377.397 0.655 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001598816454 996275919 /nfs/dbraw/zinc/27/59/19/996275919.db2.gz CFBOGCWXDBVFSA-LLVKDONJSA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@@H]1C(=O)[O-] ZINC001598816711 996278186 /nfs/dbraw/zinc/27/81/86/996278186.db2.gz SZVUHCXKMCDEAP-JGVFFNPUSA-N -1 0 386.202 0.995 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598817084 996282141 /nfs/dbraw/zinc/28/21/41/996282141.db2.gz VCIGVJNGWVGPDP-RYUDHWBXSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C[C@@H]1C(=O)[O-] ZINC001598817672 996288902 /nfs/dbraw/zinc/28/89/02/996288902.db2.gz WGSRVJYPBVWLQT-BARDWOONSA-N -1 0 377.397 0.817 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598817892 996291139 /nfs/dbraw/zinc/29/11/39/996291139.db2.gz WTLDRQLWJBQXOD-DCAQKATOSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ncc(Br)s2)C[C@@H]1C(=O)[O-] ZINC001598817993 996292067 /nfs/dbraw/zinc/29/20/67/996292067.db2.gz XDKPYTMLJNHVHH-NKWVEPMBSA-N -1 0 392.231 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)C[C@H]1C(=O)[O-] ZINC001598818265 996294848 /nfs/dbraw/zinc/29/48/48/996294848.db2.gz PYOQCMBLLLEHRF-VXGBXAGGSA-N -1 0 390.371 0.848 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C(=O)[O-] ZINC001598818484 996297372 /nfs/dbraw/zinc/29/73/72/996297372.db2.gz QSUHSOLHFPAFPJ-ZIAGYGMSSA-N -1 0 381.406 0.569 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598818502 996298099 /nfs/dbraw/zinc/29/80/99/996298099.db2.gz QVDMKVYCDLXKKG-ZIAGYGMSSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598818917 996302368 /nfs/dbraw/zinc/30/23/68/996302368.db2.gz ZASTWOXXVKYPTM-LPWJVIDDSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598818965 996303259 /nfs/dbraw/zinc/30/32/59/996303259.db2.gz MVJPGNPIKBNFTO-KGYLQXTDSA-N -1 0 380.397 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001598822741 996347917 /nfs/dbraw/zinc/34/79/17/996347917.db2.gz SRJALQVUIUPSJI-UONOGXRCSA-N -1 0 398.437 0.319 20 0 GCADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001598823299 996354163 /nfs/dbraw/zinc/35/41/63/996354163.db2.gz BNLCCEUXWRTPIO-ZETCQYMHSA-N -1 0 383.831 0.971 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@@H]1C(=O)[O-] ZINC001598823601 996357828 /nfs/dbraw/zinc/35/78/28/996357828.db2.gz WXOKCMULQIGMAP-BQBZGAKWSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598823889 996360209 /nfs/dbraw/zinc/36/02/09/996360209.db2.gz DPASQSYQPWKUFG-BETUJISGSA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C[C@H]1C(=O)OC ZINC001598823877 996360539 /nfs/dbraw/zinc/36/05/39/996360539.db2.gz DOGQTBPOVCIUOW-VXGBXAGGSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598824640 996369274 /nfs/dbraw/zinc/36/92/74/996369274.db2.gz AJKSOVXWSQBSKS-UWVGGRQHSA-N -1 0 393.215 0.338 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598824909 996372022 /nfs/dbraw/zinc/37/20/22/996372022.db2.gz IRTYHBGZUZPXLO-CHWSQXEVSA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@H]1CN(c2nnc(COc3ccccc3F)n2C)C[C@H]1C(=O)[O-] ZINC001598824994 996372610 /nfs/dbraw/zinc/37/26/10/996372610.db2.gz BIOMJMZWPSUWFL-MNOVXSKESA-N -1 0 378.360 0.843 20 0 GCADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598825228 996374820 /nfs/dbraw/zinc/37/48/20/996374820.db2.gz MYRKVGQURSCSBK-GFCCVEGCSA-N -1 0 377.415 0.732 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598825733 996380239 /nfs/dbraw/zinc/38/02/39/996380239.db2.gz LGKHPZRFHRLXDW-IUCAKERBSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)Cc2ccccc21 ZINC001598825735 996380523 /nfs/dbraw/zinc/38/05/23/996380523.db2.gz LGXWQQHUFLKXNU-HNNXBMFYSA-N -1 0 382.438 0.800 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@@H]3C)n2CC2CC2)C[C@H]1C(=O)[O-] ZINC001598826268 996386173 /nfs/dbraw/zinc/38/61/73/996386173.db2.gz HTTUSLAMWWKJEG-FMKGYKFTSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598827490 996399116 /nfs/dbraw/zinc/39/91/16/996399116.db2.gz QZYJPWAAKZAGNI-UONOGXRCSA-N -1 0 384.410 0.164 20 0 GCADRM COC(=O)[C@@H]1CN(c2ccc(I)cn2)C[C@@H]1C(=O)[O-] ZINC001598827557 996399952 /nfs/dbraw/zinc/39/99/52/996399952.db2.gz NLOFTLZKDQXGDZ-DTWKUNHWSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598827725 996401510 /nfs/dbraw/zinc/40/15/10/996401510.db2.gz SBKFNRIDZUGBIX-STQMWFEESA-N -1 0 398.393 0.138 20 0 GCADRM C[C@@]1(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CCC(=O)NC1 ZINC001593756452 996408634 /nfs/dbraw/zinc/40/86/34/996408634.db2.gz RGYFQOTZVDJSCK-QGZVFWFLSA-N -1 0 382.438 0.219 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)C[C@@H]1C(=O)[O-] ZINC001598828585 996412027 /nfs/dbraw/zinc/41/20/27/996412027.db2.gz RINSAJLHOJUANC-UONOGXRCSA-N -1 0 382.438 0.169 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](OC)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001598828735 996413072 /nfs/dbraw/zinc/41/30/72/996413072.db2.gz XMBBTEFXJCOEMP-MGPQQGTHSA-N -1 0 377.459 0.717 20 0 GCADRM COC(=O)[C@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598828821 996414061 /nfs/dbraw/zinc/41/40/61/996414061.db2.gz SNRONYUVYFQJEU-CABCVRRESA-N -1 0 382.438 0.781 20 0 GCADRM COC(=O)[C@@H]1CN(CN2CCN(Cc3cccc(F)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598829939 996425914 /nfs/dbraw/zinc/42/59/14/996425914.db2.gz VKRSJRPHZLRIIZ-LSDHHAIUSA-N -1 0 379.388 0.826 20 0 GCADRM COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001598830368 996430178 /nfs/dbraw/zinc/43/01/78/996430178.db2.gz IFTAILHLPJEQIX-YEZKRMTDSA-N -1 0 391.373 0.591 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC001593762406 996430664 /nfs/dbraw/zinc/43/06/64/996430664.db2.gz LILTULZLOFBXPI-LJQANCHMSA-N -1 0 375.425 0.754 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@H]2CCCN2CC(F)(F)F)C1 ZINC001593762959 996435012 /nfs/dbraw/zinc/43/50/12/996435012.db2.gz XWCKDRGKFAKRTO-ABAIWWIYSA-N -1 0 379.379 0.843 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001598830834 996435124 /nfs/dbraw/zinc/43/51/24/996435124.db2.gz PHNOHEAQXSOHDA-ZACQAIPSSA-N -1 0 390.436 0.677 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC001593764173 996436964 /nfs/dbraw/zinc/43/69/64/996436964.db2.gz AOZRKHDFBLNOSI-SFHVURJKSA-N -1 0 377.397 0.593 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598831202 996438953 /nfs/dbraw/zinc/43/89/53/996438953.db2.gz RGAGHKBRCNFKJR-FUHWJXTLSA-N -1 0 390.436 0.270 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001593765770 996442881 /nfs/dbraw/zinc/44/28/81/996442881.db2.gz WMKLAJHPJJMSHJ-IFXJQAMLSA-N -1 0 393.415 0.442 20 0 GCADRM COC(=O)CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001598833476 996460338 /nfs/dbraw/zinc/46/03/38/996460338.db2.gz HVEXAWIFENZBMZ-UHFFFAOYSA-N -1 0 379.412 0.853 20 0 GCADRM COC(=O)C=Cc1ccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001598833539 996460982 /nfs/dbraw/zinc/46/09/82/996460982.db2.gz BPHJXLRLEJBAAY-GQUPLCJFSA-N -1 0 377.353 0.045 20 0 GCADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cc1 ZINC001598834420 996470064 /nfs/dbraw/zinc/47/00/64/996470064.db2.gz LDRLMRZYEKBONV-ZQNFCJTASA-N -1 0 385.394 0.558 20 0 GCADRM COC(=O)C[C@@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccncc1 ZINC001598835187 996477957 /nfs/dbraw/zinc/47/79/57/996477957.db2.gz DLVDVNNGYXTQPM-OAHLLOKOSA-N -1 0 382.398 0.120 20 0 GCADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1 ZINC001598835395 996479614 /nfs/dbraw/zinc/47/96/14/996479614.db2.gz XKGJKVFRYODDDQ-PXYYCUNGSA-N -1 0 399.421 0.757 20 0 GCADRM COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)[O-] ZINC001598836615 996490362 /nfs/dbraw/zinc/49/03/62/996490362.db2.gz DKORTAVBIRCFJQ-LIBAHTEVSA-N -1 0 397.428 0.256 20 0 GCADRM COC(=O)C[C@H](NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)C(=O)[O-] ZINC001598836664 996491119 /nfs/dbraw/zinc/49/11/19/996491119.db2.gz FNESHPFHCFAVTK-RXNFCKPNSA-N -1 0 376.369 0.451 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(c2nnc([C@H]3CNC(=O)C3)n2C[C@@H]2CCCO2)C1 ZINC001593782981 996491662 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380.353 0.122 20 0 GCADRM COC(=O)CC1=C(C(=O)[O-])[C@H](c2cc(C(F)(F)F)nn2C)NC(=S)N1 ZINC001598845848 996565772 /nfs/dbraw/zinc/56/57/72/996565772.db2.gz KOCFRUGEQRKSBH-JTQLQIEISA-N -1 0 378.332 0.860 20 0 GCADRM COC(=O)C[C@@H]1CN(CN2C[C@H](c3ccccc3)[C@@H](C(=O)[O-])C2=O)CCO1 ZINC001598845980 996566400 /nfs/dbraw/zinc/56/64/00/996566400.db2.gz XLOWGAIZNCOLIH-BFYDXBDKSA-N -1 0 376.409 0.535 20 0 GCADRM COC(=O)C[C@@H]1CN(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCO1 ZINC001598846053 996566665 /nfs/dbraw/zinc/56/66/65/996566665.db2.gz YWDVDQHOHIZRCA-CYBMUJFWSA-N -1 0 389.368 0.761 20 0 GCADRM COC(=O)C[C@H]1CN(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCO1 ZINC001598846054 996566777 /nfs/dbraw/zinc/56/67/77/996566777.db2.gz YWDVDQHOHIZRCA-ZDUSSCGKSA-N -1 0 389.368 0.761 20 0 GCADRM COC(=O)C[C@@H]1CN(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)CCO1 ZINC001598846065 996567647 /nfs/dbraw/zinc/56/76/47/996567647.db2.gz ZBWRPPHMWXQIFI-CQSZACIVSA-N -1 0 380.397 0.909 20 0 GCADRM 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COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1C ZINC001598986467 998699879 /nfs/dbraw/zinc/69/98/79/998699879.db2.gz NZDFKDCUPQYJLO-RISCZKNCSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)OC)cc1C(=O)[O-] ZINC001598986519 998700357 /nfs/dbraw/zinc/70/03/57/998700357.db2.gz PYYPPIXEWXPCFN-INIZCTEOSA-N -1 0 385.394 0.888 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1F ZINC001598986472 998700369 /nfs/dbraw/zinc/70/03/69/998700369.db2.gz OEFBSBIBNLXJTJ-OAHLLOKOSA-N -1 0 386.357 0.606 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC(NC(C)=O)CC2)cc1C(=O)[O-] ZINC001598986473 998700589 /nfs/dbraw/zinc/70/05/89/998700589.db2.gz OELJHDYUNHXBOO-UHFFFAOYSA-N -1 0 384.410 0.461 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001598986584 998700927 /nfs/dbraw/zinc/70/09/27/998700927.db2.gz DCYXFHXONMNWEH-LPEHRKFASA-N -1 0 384.410 0.457 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c(C)c1 ZINC001598986651 998701427 /nfs/dbraw/zinc/70/14/27/998701427.db2.gz RCAJIGYSMWEPHL-GFCCVEGCSA-N -1 0 384.410 0.136 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1C(=O)OC ZINC001598986721 998701894 /nfs/dbraw/zinc/70/18/94/998701894.db2.gz VBVVXKZIHYNPEU-ONGXEEELSA-N -1 0 385.394 0.744 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]23CCOC3=O)cc1C(=O)[O-] ZINC001598986945 998703870 /nfs/dbraw/zinc/70/38/70/998703870.db2.gz YYHNHMGYIMHQOG-INIZCTEOSA-N -1 0 383.378 0.642 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)cc1C(=O)[O-] ZINC001598986960 998704331 /nfs/dbraw/zinc/70/43/31/998704331.db2.gz ZLJKWZJJXIPUCB-UHFFFAOYSA-N -1 0 382.438 0.888 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)cc1C(=O)[O-] ZINC001598987159 998705216 /nfs/dbraw/zinc/70/52/16/998705216.db2.gz UHNXATHTCDWPSG-NSHDSACASA-N -1 0 398.437 0.849 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C(=O)[O-] ZINC001598987101 998705324 /nfs/dbraw/zinc/70/53/24/998705324.db2.gz ROXURNBGAUDLKY-DIFFPNOSSA-N -1 0 399.421 0.740 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C(=O)[O-] ZINC001598987235 998705647 /nfs/dbraw/zinc/70/56/47/998705647.db2.gz YVGZKUPBGMLLBX-UWVGGRQHSA-N -1 0 384.410 0.446 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1C(=O)[O-] ZINC001598987237 998705689 /nfs/dbraw/zinc/70/56/89/998705689.db2.gz YVGZKUPBGMLLBX-ZJUUUORDSA-N -1 0 384.410 0.446 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCSC2)cc1C(=O)[O-] ZINC001598987333 998706880 /nfs/dbraw/zinc/70/68/80/998706880.db2.gz AYAVYPFAYROYME-CQSZACIVSA-N -1 0 375.424 0.318 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])cc1C(F)(F)F ZINC001598987479 998707875 /nfs/dbraw/zinc/70/78/75/998707875.db2.gz AQGFGWTWOQRESJ-LBPRGKRZSA-N -1 0 385.316 0.606 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC)cc1F ZINC001598988142 998712652 /nfs/dbraw/zinc/71/26/52/998712652.db2.gz CSVTWDZQNOGWKW-LLVKDONJSA-N -1 0 377.346 0.297 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)Cn2cccn2)cc1C(=O)[O-] ZINC001598988332 998714351 /nfs/dbraw/zinc/71/43/51/998714351.db2.gz MNPDYBYEPDAXHD-NSHDSACASA-N -1 0 381.410 0.983 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)c(OC)c1 ZINC001598988473 998715643 /nfs/dbraw/zinc/71/56/43/998715643.db2.gz NVQHMGDSEYNOHZ-CQSZACIVSA-N -1 0 375.424 0.720 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(Cl)c1 ZINC001598988698 998717075 /nfs/dbraw/zinc/71/70/75/998717075.db2.gz NUBYPOGPZAZCQY-BXKDBHETSA-N -1 0 377.802 0.895 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c(Cl)c1 ZINC001598988640 998717087 /nfs/dbraw/zinc/71/70/87/998717087.db2.gz QIFYHHYCRLXOGL-JTQLQIEISA-N -1 0 393.801 0.621 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1C(=O)[O-] ZINC001598988898 998718732 /nfs/dbraw/zinc/71/87/32/998718732.db2.gz TYFZGROCURXQLJ-RYUDHWBXSA-N -1 0 398.437 0.313 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC2CC(N3CCOCC3)C2)cc1C(=O)[O-] ZINC001598988876 998718837 /nfs/dbraw/zinc/71/88/37/998718837.db2.gz SMUDPMJLICYOJE-UHFFFAOYSA-N -1 0 398.437 0.313 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001598989090 998720257 /nfs/dbraw/zinc/72/02/57/998720257.db2.gz UGAPBWANKHWBLZ-ZYHUDNBSSA-N -1 0 375.374 0.913 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001598989088 998720470 /nfs/dbraw/zinc/72/04/70/998720470.db2.gz UGAPBWANKHWBLZ-JQWIXIFHSA-N -1 0 375.374 0.913 20 0 GCADRM C[C@@H]1[C@H](CO)CCCN1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001594187881 998728003 /nfs/dbraw/zinc/72/80/03/998728003.db2.gz NHJVCLRHGLJTAJ-CJNGLKHVSA-N -1 0 398.481 0.988 20 0 GCADRM C[C@@H]1[C@@H](CO)CCCN1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC001594187883 998728136 /nfs/dbraw/zinc/72/81/36/998728136.db2.gz NHJVCLRHGLJTAJ-CZUORRHYSA-N -1 0 398.481 0.988 20 0 GCADRM COC(=O)c1cccc(C(=O)NCCN(C)C(=O)c2cccc(C(=O)[O-])n2)n1 ZINC001598992211 998747870 /nfs/dbraw/zinc/74/78/70/998747870.db2.gz MHGMIMHKRGQPTN-UHFFFAOYSA-N -1 0 386.364 0.463 20 0 GCADRM COC(=O)c1cccc(CC(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)[O-])c1 ZINC001598993124 998755068 /nfs/dbraw/zinc/75/50/68/998755068.db2.gz QGYMFLACFMMRCW-SMDDNHRTSA-N -1 0 394.449 0.897 20 0 GCADRM COC(=O)c1cccc(CS(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1 ZINC001598993429 998757660 /nfs/dbraw/zinc/75/76/60/998757660.db2.gz BEIRICCISSGZEQ-WMLDXEAASA-N -1 0 383.422 0.726 20 0 GCADRM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@H](CF)C(=O)[O-] ZINC001594196556 998761466 /nfs/dbraw/zinc/76/14/66/998761466.db2.gz KQSRCBSGAGBKMP-KGDYZURWSA-N -1 0 380.294 0.511 20 0 GCADRM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001594196552 998761714 /nfs/dbraw/zinc/76/17/14/998761714.db2.gz KQSRCBSGAGBKMP-KBDSZGMXSA-N -1 0 380.294 0.511 20 0 GCADRM C[C@@H]1CC(=O)Nc2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc2N1 ZINC001594198330 998767795 /nfs/dbraw/zinc/76/77/95/998767795.db2.gz HUBANHUNAOXUFN-RNCFNFMXSA-N -1 0 381.410 0.153 20 0 GCADRM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001594200278 998772926 /nfs/dbraw/zinc/77/29/26/998772926.db2.gz CPXCUZFALKABIJ-LBPRGKRZSA-N -1 0 399.407 0.804 20 0 GCADRM COC(=O)c1cccc(NC(=O)NCC(=O)NCC(=O)[O-])c1Br ZINC001598997110 998790297 /nfs/dbraw/zinc/79/02/97/998790297.db2.gz CLMPMVMJAJEDFQ-UHFFFAOYSA-N -1 0 388.174 0.558 20 0 GCADRM COC(=O)c1cccc(NC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1OC ZINC001598997285 998791139 /nfs/dbraw/zinc/79/11/39/998791139.db2.gz DQOLFKBYUYONAQ-UHFFFAOYSA-N -1 0 375.341 0.860 20 0 GCADRM COC(=O)c1cccc(NC(=O)CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])n1 ZINC001598998937 998805952 /nfs/dbraw/zinc/80/59/52/998805952.db2.gz FJRIQAHUKXFPSR-CMPLNLGQSA-N -1 0 379.369 0.145 20 0 GCADRM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001594209968 998814923 /nfs/dbraw/zinc/81/49/23/998814923.db2.gz LAYAKKDMJCLHAM-QWHCGFSZSA-N -1 0 385.461 0.977 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)[O-])c1C ZINC001599000707 998821554 /nfs/dbraw/zinc/82/15/54/998821554.db2.gz JONCHGFYAIWZTA-AAEUAGOBSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)c1cccn(CC(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)c1=O ZINC001599001359 998823488 /nfs/dbraw/zinc/82/34/88/998823488.db2.gz AQUXSUPEPFDOLA-JMSVASOKSA-N -1 0 380.397 0.410 20 0 GCADRM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCC[C@H](O)[C@H]1C(=O)[O-])C2=O ZINC001594213889 998824822 /nfs/dbraw/zinc/82/48/22/998824822.db2.gz GZRWKNPILVATRE-XOMVMTSMSA-N -1 0 395.456 0.560 20 0 GCADRM COC(=O)c1ccccc1S(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001599001899 998826444 /nfs/dbraw/zinc/82/64/44/998826444.db2.gz IYFHYMGFHFEJTH-UHFFFAOYSA-N -1 0 399.421 0.938 20 0 GCADRM COC(=O)c1cccn(CC(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c1=O ZINC001599002076 998827662 /nfs/dbraw/zinc/82/76/62/998827662.db2.gz KQEVIXDPBXXTCR-CQSZACIVSA-N -1 0 390.323 0.653 20 0 GCADRM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccnc(C(=O)[O-])n1)C2=O ZINC001594216886 998834586 /nfs/dbraw/zinc/83/45/86/998834586.db2.gz YHPYLXVFYYAGEI-XTZNXHDOSA-N -1 0 389.412 0.672 20 0 GCADRM COC(=O)c1cccc2c1N(C(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H](C)C(=O)N2 ZINC001599003237 998837075 /nfs/dbraw/zinc/83/70/75/998837075.db2.gz NVAAIKUKYVRNLE-JTQLQIEISA-N -1 0 399.359 0.707 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])C2=O ZINC001594220711 998849246 /nfs/dbraw/zinc/84/92/46/998849246.db2.gz DSSYDPRXVXRBEG-NQBHXWOUSA-N -1 0 391.428 0.268 20 0 GCADRM COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3C)C2)nn1 ZINC001599005613 998851301 /nfs/dbraw/zinc/85/13/01/998851301.db2.gz BWSJAVHHLWLINB-GFCCVEGCSA-N -1 0 394.409 0.707 20 0 GCADRM COC(=O)c1cn([C@H]2CCN(C(=O)NCc3cc(C(=O)[O-])c(C)o3)C2)nn1 ZINC001599005579 998851345 /nfs/dbraw/zinc/85/13/45/998851345.db2.gz AZZIHRGGPRFZRZ-JTQLQIEISA-N -1 0 377.357 0.821 20 0 GCADRM 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386.451 0.534 20 0 GCADRM C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)CC(=O)[O-] ZINC000275020161 530304649 /nfs/dbraw/zinc/30/46/49/530304649.db2.gz OOEQNDMEBCLLLA-SECBINFHSA-N -1 0 378.834 0.983 20 0 GCADRM C[C@H](O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000275037554 530304777 /nfs/dbraw/zinc/30/47/77/530304777.db2.gz DIXOIACJAXSENG-BHDSKKPTSA-N -1 0 393.845 0.868 20 0 GCADRM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277286737 530330570 /nfs/dbraw/zinc/33/05/70/530330570.db2.gz QLUKVLBEIOZABM-NSHDSACASA-N -1 0 378.472 0.859 20 0 GCADRM O=C([O-])[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000275048147 530305323 /nfs/dbraw/zinc/30/53/23/530305323.db2.gz GDKFEHBKYWVYPA-LBPRGKRZSA-N -1 0 375.353 0.828 20 0 GCADRM COc1ccc(Cl)c(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000275046842 530305363 /nfs/dbraw/zinc/30/53/63/530305363.db2.gz WKWNINVMIBFKFR-SECBINFHSA-N -1 0 376.818 0.560 20 0 GCADRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 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380.781 0.960 20 0 GCADRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n1 ZINC000067890848 530792621 /nfs/dbraw/zinc/79/26/21/530792621.db2.gz GQQQLPMBAPXAQT-UHFFFAOYSA-N -1 0 387.439 0.569 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])c(OC)c1 ZINC000484604566 530793614 /nfs/dbraw/zinc/79/36/14/530793614.db2.gz KAUCKSDUKCQSFF-JTQLQIEISA-N -1 0 394.471 0.988 20 0 GCADRM CS(=O)(=O)CCCS(=O)(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000484870856 530796005 /nfs/dbraw/zinc/79/60/05/530796005.db2.gz ASTSTIZNYYYCAN-CQSZACIVSA-N -1 0 377.484 0.817 20 0 GCADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1nncn1-c1cccnc1 ZINC000377567505 530827175 /nfs/dbraw/zinc/82/71/75/530827175.db2.gz OVXHXNNQLNUCGJ-UHFFFAOYSA-N -1 0 379.423 0.867 20 0 GCADRM C[C@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000656292358 530831916 /nfs/dbraw/zinc/83/19/16/530831916.db2.gz BKFIQIWPSVPIJH-LBPRGKRZSA-N -1 0 385.467 0.932 20 0 GCADRM Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)nc1 ZINC000656303292 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ROXSNOLEFZVICP-SECBINFHSA-N -1 0 376.818 0.067 20 0 GCADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(F)cc1F ZINC000376446032 530815462 /nfs/dbraw/zinc/81/54/62/530815462.db2.gz FIRDIEGDPVDVHR-CQSZACIVSA-N -1 0 376.337 0.926 20 0 GCADRM O=C(CCNS(=O)(=O)c1ccccc1F)NCC(=O)NCC(F)(F)F ZINC000057007880 530816210 /nfs/dbraw/zinc/81/62/10/530816210.db2.gz KDLPDTZVMILCPI-UHFFFAOYSA-N -1 0 385.339 0.289 20 0 GCADRM Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])nc12 ZINC000655992271 530816516 /nfs/dbraw/zinc/81/65/16/530816516.db2.gz WLHRMWYXNGUAOY-VIFPVBQESA-N -1 0 397.229 0.858 20 0 GCADRM Cc1c(Br)cccc1CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000655998724 530816846 /nfs/dbraw/zinc/81/68/46/530816846.db2.gz WKOOWBYHEUMVQB-GFCCVEGCSA-N -1 0 385.214 0.686 20 0 GCADRM COC(=O)NCCc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)s1 ZINC000376738148 530818005 /nfs/dbraw/zinc/81/80/05/530818005.db2.gz CQXWMYCTWFUDRD-CYBMUJFWSA-N -1 0 378.428 0.169 20 0 GCADRM 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0 386.195 0.975 20 0 GCADRM COC[C@@H](NS(=O)(=O)c1cccc(I)c1)C(=O)[O-] ZINC000548214482 531112237 /nfs/dbraw/zinc/11/22/37/531112237.db2.gz NVLAKYBHMQBBEW-SECBINFHSA-N -1 0 385.179 0.669 20 0 GCADRM CC(C)(CNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000548218787 531112238 /nfs/dbraw/zinc/11/22/38/531112238.db2.gz QBZMXXFPYVAIFW-UHFFFAOYSA-N -1 0 376.456 0.516 20 0 GCADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000548233811 531112401 /nfs/dbraw/zinc/11/24/01/531112401.db2.gz ZFHZACXDWLJOGN-ZDUSSCGKSA-N -1 0 376.456 0.710 20 0 GCADRM Cc1nn2cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])cnc2c1Cl ZINC000548236827 531112488 /nfs/dbraw/zinc/11/24/88/531112488.db2.gz MTPDAMPUJQOJJX-QMMMGPOBSA-N -1 0 376.822 0.537 20 0 GCADRM CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000548242241 531112774 /nfs/dbraw/zinc/11/27/74/531112774.db2.gz XCIOJEWEEOWAKA-VIFPVBQESA-N -1 0 382.435 0.929 20 0 GCADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CCC1 ZINC000548240311 531112848 /nfs/dbraw/zinc/11/28/48/531112848.db2.gz XEGMQRZQXDAEJI-AWEZNQCLSA-N -1 0 388.467 0.758 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000548228458 531112853 /nfs/dbraw/zinc/11/28/53/531112853.db2.gz HQAQXMQJBKHVAE-CQSZACIVSA-N -1 0 390.483 0.859 20 0 GCADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000548242238 531112854 /nfs/dbraw/zinc/11/28/54/531112854.db2.gz XCIOJEWEEOWAKA-SECBINFHSA-N -1 0 382.435 0.929 20 0 GCADRM O=C([O-])[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000548258011 531113032 /nfs/dbraw/zinc/11/30/32/531113032.db2.gz IGPMHEOVBJHISS-LFPIHBKWSA-N -1 0 383.451 0.138 20 0 GCADRM C[C@@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)[C@H]1C(=O)[O-] ZINC000548245449 531113044 /nfs/dbraw/zinc/11/30/44/531113044.db2.gz QHKUUAPODBKSCR-PRHODGIISA-N -1 0 380.419 0.681 20 0 GCADRM Cc1ccc(Br)cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548256875 531113189 /nfs/dbraw/zinc/11/31/89/531113189.db2.gz 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ZMAAEXGGTFTMPN-AWEZNQCLSA-N -1 0 388.468 0.619 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000666527552 600413131 /nfs/dbraw/zinc/41/31/31/600413131.db2.gz MSAIHLRJXMJKPW-AWEZNQCLSA-N -1 0 375.381 0.558 20 0 GCADRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000738646406 600414197 /nfs/dbraw/zinc/41/41/97/600414197.db2.gz BEQIYIGPJAQFBI-UHFFFAOYSA-N -1 0 383.426 0.633 20 0 GCADRM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)C2=O)cn1 ZINC000739033505 600415963 /nfs/dbraw/zinc/41/59/63/600415963.db2.gz IONXLOLUZZJYEA-AWEZNQCLSA-N -1 0 378.410 0.131 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c2ccccc21 ZINC000739356865 600416236 /nfs/dbraw/zinc/41/62/36/600416236.db2.gz QETRFIXFKFJNRE-CQSZACIVSA-N -1 0 397.391 0.315 20 0 GCADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000739814287 600417688 /nfs/dbraw/zinc/41/76/88/600417688.db2.gz UNBRTLOBBPFVBA-AWEZNQCLSA-N -1 0 399.403 0.978 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736936490 600417812 /nfs/dbraw/zinc/41/78/12/600417812.db2.gz ABJDLXIBZHWLIC-SWLSCSKDSA-N -1 0 391.424 0.394 20 0 GCADRM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1 ZINC000737537034 600418124 /nfs/dbraw/zinc/41/81/24/600418124.db2.gz COFRUAGDUJMIHY-LBPRGKRZSA-N -1 0 377.397 0.382 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000262687168 600418781 /nfs/dbraw/zinc/41/87/81/600418781.db2.gz DWCUUNZZERZAIS-HNNXBMFYSA-N -1 0 398.481 0.955 20 0 GCADRM C[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000736674057 600419097 /nfs/dbraw/zinc/41/90/97/600419097.db2.gz FMIFBZBSVDUJFX-GFCCVEGCSA-N -1 0 391.424 0.449 20 0 GCADRM Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000738402869 600419101 /nfs/dbraw/zinc/41/91/01/600419101.db2.gz DNJDBWVOJVIEDU-VXGBXAGGSA-N -1 0 388.515 0.682 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000262505748 600420104 /nfs/dbraw/zinc/42/01/04/600420104.db2.gz ZUHUNNMDXAOUHL-CYBMUJFWSA-N -1 0 390.392 0.635 20 0 GCADRM CCc1nnc2n1CCN(C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc3ccccc31)C2 ZINC000737287392 600420776 /nfs/dbraw/zinc/42/07/76/600420776.db2.gz HJAZYVCAEIKNLN-ZDUSSCGKSA-N -1 0 385.380 0.062 20 0 GCADRM CCN(CC)C(=O)CN1CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737079704 600428826 /nfs/dbraw/zinc/42/88/26/600428826.db2.gz NRMSHSBDSWKRIL-UHFFFAOYSA-N -1 0 382.505 0.376 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)CN1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000736874813 600431345 /nfs/dbraw/zinc/43/13/45/600431345.db2.gz DQYYIVYGIWLYFC-GUYCJALGSA-N -1 0 393.488 0.477 20 0 GCADRM Cn1cc(C(=O)NCC2CCN(Cc3noc(CCCC(=O)[O-])n3)CC2)cn1 ZINC000739022576 600431906 /nfs/dbraw/zinc/43/19/06/600431906.db2.gz LREUJAZNRCCOPQ-UHFFFAOYSA-N -1 0 390.444 0.852 20 0 GCADRM COC(=O)c1cc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000737669005 600433649 /nfs/dbraw/zinc/43/36/49/600433649.db2.gz ZSWURKUTJXZMQG-JTQLQIEISA-N -1 0 384.410 0.229 20 0 GCADRM O=C([O-])[C@H]1CCCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000262085530 600436587 /nfs/dbraw/zinc/43/65/87/600436587.db2.gz GALGKPZFWCSKEI-TZMCWYRMSA-N -1 0 386.495 0.813 20 0 GCADRM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262198054 600436753 /nfs/dbraw/zinc/43/67/53/600436753.db2.gz ZRSBXTRMVVHUKF-HNNXBMFYSA-N -1 0 381.454 0.069 20 0 GCADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N(C)[C@@H]2CCN(C)C2=O)c1 ZINC000737687973 600438239 /nfs/dbraw/zinc/43/82/39/600438239.db2.gz WLLJPSAQLPVKAD-QMTHXVAHSA-N -1 0 377.397 0.661 20 0 GCADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738518010 600439448 /nfs/dbraw/zinc/43/94/48/600439448.db2.gz GKUQIVRJNDHPAX-JTQLQIEISA-N -1 0 387.314 0.911 20 0 GCADRM Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)ccc1C(=O)[O-] ZINC000738410098 600439460 /nfs/dbraw/zinc/43/94/60/600439460.db2.gz CSQLZPMXTKVLRX-NSHDSACASA-N -1 0 387.314 0.911 20 0 GCADRM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cccc1C(=O)[O-] ZINC000738300681 600439491 /nfs/dbraw/zinc/43/94/91/600439491.db2.gz ATINHHVJYLWNHY-LLVKDONJSA-N -1 0 387.314 0.911 20 0 GCADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738518011 600439497 /nfs/dbraw/zinc/43/94/97/600439497.db2.gz GKUQIVRJNDHPAX-SNVBAGLBSA-N -1 0 387.314 0.911 20 0 GCADRM COC(=O)c1cc(NC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc(C(=O)[O-])c1 ZINC000737663762 600440222 /nfs/dbraw/zinc/44/02/22/600440222.db2.gz ZSAJGZSJSPFJKZ-AWEZNQCLSA-N -1 0 379.369 0.540 20 0 GCADRM CN(CC(=O)N(CCN1CCOCC1)CC(=O)[O-])c1nc2ccccc2s1 ZINC000737385150 600441950 /nfs/dbraw/zinc/44/19/50/600441950.db2.gz OUAXKRLNUCGVSA-UHFFFAOYSA-N -1 0 392.481 0.978 20 0 GCADRM Cc1ccc(C(=O)NCCC(=O)N(CCN2CCOCC2)CC(=O)[O-])c(O)c1 ZINC000738515381 600442271 /nfs/dbraw/zinc/44/22/71/600442271.db2.gz XNXXSHXEZQHRPF-UHFFFAOYSA-N -1 0 393.440 0.066 20 0 GCADRM Cc1nc(CN2CCN(CC(=O)Nc3nc(CC(=O)[O-])cs3)CC2)no1 ZINC000738352429 600442885 /nfs/dbraw/zinc/44/28/85/600442885.db2.gz IRYIMAUOXXLKLR-UHFFFAOYSA-N -1 0 380.430 0.218 20 0 GCADRM Cc1nc(CN2CCN(CCCN3C(=O)CS/C3=C\C(=O)[O-])CC2)no1 ZINC000738856763 600442993 /nfs/dbraw/zinc/44/29/93/600442993.db2.gz GOSKYTROQKEHMR-DHDCSXOGSA-N -1 0 381.458 0.387 20 0 GCADRM O=C([O-])CCOc1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)cc1 ZINC000326161965 600444471 /nfs/dbraw/zinc/44/44/71/600444471.db2.gz FBVLDLUUTPNYCT-UHFFFAOYSA-N -1 0 377.440 0.349 20 0 GCADRM NS(=O)(=O)c1cccc(S(=O)(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000739200742 600446802 /nfs/dbraw/zinc/44/68/02/600446802.db2.gz LDZHWYWIKPTZGI-UHFFFAOYSA-N -1 0 399.450 0.945 20 0 GCADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000736375835 600449742 /nfs/dbraw/zinc/44/97/42/600449742.db2.gz KUTIPOZLKKSIHC-AWEZNQCLSA-N -1 0 399.473 0.394 20 0 GCADRM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c1OC ZINC000737873829 600450922 /nfs/dbraw/zinc/45/09/22/600450922.db2.gz SKFYALKXZUWYMJ-KMSCOEIWSA-N -1 0 398.437 0.701 20 0 GCADRM COC(=O)c1cc(NC(=O)COC(=O)c2cnc(OC)nc2)cc(C(=O)[O-])c1 ZINC000737666802 600453793 /nfs/dbraw/zinc/45/37/93/600453793.db2.gz PJOAHNOARZEPEK-UHFFFAOYSA-N -1 0 389.320 0.766 20 0 GCADRM Cc1noc(COc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)n1 ZINC000738951264 600457857 /nfs/dbraw/zinc/45/78/57/600457857.db2.gz SGSLQFFMXWWAKY-ZDUSSCGKSA-N -1 0 390.352 0.208 20 0 GCADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)CS(C)(=O)=O)c1 ZINC000737648330 600464430 /nfs/dbraw/zinc/46/44/30/600464430.db2.gz DSFPNCOEJPEACL-SECBINFHSA-N -1 0 393.439 0.225 20 0 GCADRM C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736607194 600468456 /nfs/dbraw/zinc/46/84/56/600468456.db2.gz NMRRSTFOVAHYGZ-NSHDSACASA-N -1 0 385.442 0.327 20 0 GCADRM CN1CCO[C@H](CNC(=O)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000737529944 600469123 /nfs/dbraw/zinc/46/91/23/600469123.db2.gz OOCGMKVVXOOKKV-CQSZACIVSA-N -1 0 381.454 0.390 20 0 GCADRM Cc1ccc(O[C@H](C)C(=O)N2CCN(CC(=O)NCC(=O)[O-])CC2)c(C)c1 ZINC000512247792 600471139 /nfs/dbraw/zinc/47/11/39/600471139.db2.gz BBPDVGLRZKHHST-OAHLLOKOSA-N -1 0 377.441 0.416 20 0 GCADRM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000736147245 600471672 /nfs/dbraw/zinc/47/16/72/600471672.db2.gz HEQNSGIOCNTQAB-LLVKDONJSA-N -1 0 382.348 0.218 20 0 GCADRM CN(C(=O)CCCS(=O)(=O)N1CCCC1)c1nc(CC(=O)[O-])cs1 ZINC000737319286 600472193 /nfs/dbraw/zinc/47/21/93/600472193.db2.gz YVEUPCPWYICYAV-UHFFFAOYSA-N -1 0 375.472 0.939 20 0 GCADRM O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000739458858 600472276 /nfs/dbraw/zinc/47/22/76/600472276.db2.gz LDGRRRKWCJIEAS-LLVKDONJSA-N -1 0 393.787 0.496 20 0 GCADRM C[C@@H](Sc1nnc(-c2ccccn2)n1N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736716001 600473618 /nfs/dbraw/zinc/47/36/18/600473618.db2.gz XHZKZSZUXMOPID-SNVBAGLBSA-N -1 0 376.442 0.858 20 0 GCADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CCS1(=O)=O ZINC000736813064 600473791 /nfs/dbraw/zinc/47/37/91/600473791.db2.gz SDVAHJHIXUEULG-NSHDSACASA-N -1 0 383.426 0.542 20 0 GCADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)Cn2ncn3nccc3c2=O)c1 ZINC000739358039 600477668 /nfs/dbraw/zinc/47/76/68/600477668.db2.gz GJMBALIMKDUZED-UHFFFAOYSA-N -1 0 382.380 0.828 20 0 GCADRM O=C([O-])c1cc(Br)ccc1OC(=O)Cn1ncn2nccc2c1=O ZINC000739358397 600479253 /nfs/dbraw/zinc/47/92/53/600479253.db2.gz PPMIQXQSORJCIM-UHFFFAOYSA-N -1 0 393.153 0.957 20 0 GCADRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)cc(OC)c1OCC(N)=O ZINC000517021416 600479542 /nfs/dbraw/zinc/47/95/42/600479542.db2.gz BAVYEJPZSFFSDL-UHFFFAOYSA-N -1 0 378.337 0.789 20 0 GCADRM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)o1 ZINC000739439325 600480430 /nfs/dbraw/zinc/48/04/30/600480430.db2.gz QOIRVRURBTVFSR-UHFFFAOYSA-N -1 0 389.349 0.319 20 0 GCADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000262367909 600484560 /nfs/dbraw/zinc/48/45/60/600484560.db2.gz FNRMNXQWSQLNNN-ZDUSSCGKSA-N -1 0 399.469 0.460 20 0 GCADRM 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ZINC000422644789 1194681080 /nfs/dbraw/zinc/68/10/80/1194681080.db2.gz MSRSVWKBPRUEKA-GFCCVEGCSA-N -1 0 395.437 0.350 20 0 GCADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422644862 1194681086 /nfs/dbraw/zinc/68/10/86/1194681086.db2.gz NDNIZQXIQYMJIF-LBPRGKRZSA-N -1 0 389.387 0.981 20 0 GCADRM Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000422642898 1194681122 /nfs/dbraw/zinc/68/11/22/1194681122.db2.gz HMIVBEXLPFULQZ-UHFFFAOYSA-N -1 0 387.371 0.910 20 0 GCADRM CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422644851 1194681193 /nfs/dbraw/zinc/68/11/93/1194681193.db2.gz NAVYOOVKMIOVIW-WCQYABFASA-N -1 0 397.453 0.548 20 0 GCADRM CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCN2C1=O ZINC000422642506 1194681268 /nfs/dbraw/zinc/68/12/68/1194681268.db2.gz GUADQFDPIGZSRZ-CYBMUJFWSA-N -1 0 388.424 0.928 20 0 GCADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000422643207 1194681296 /nfs/dbraw/zinc/68/12/96/1194681296.db2.gz 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C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)C(=O)[O-] ZINC000422651765 1194682159 /nfs/dbraw/zinc/68/21/59/1194682159.db2.gz PLXBEGIDCKFRTM-RYUDHWBXSA-N -1 0 397.453 0.635 20 0 GCADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000422652939 1194682223 /nfs/dbraw/zinc/68/22/23/1194682223.db2.gz IOKOBCCLRFBILL-UHFFFAOYSA-N -1 0 385.442 0.685 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000422650330 1194682258 /nfs/dbraw/zinc/68/22/58/1194682258.db2.gz LLVVVIPOVYAMQB-NSHDSACASA-N -1 0 399.469 0.990 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)C(=O)[O-] ZINC000422656586 1194682448 /nfs/dbraw/zinc/68/24/48/1194682448.db2.gz DRTRWOAHHOPRHU-ZDUSSCGKSA-N -1 0 380.376 0.909 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1-n1cnnn1 ZINC000422656582 1194682558 /nfs/dbraw/zinc/68/25/58/1194682558.db2.gz DQEWCXSJTDEXBP-NSHDSACASA-N -1 0 376.373 0.225 20 0 GCADRM CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000422654243 1194682633 /nfs/dbraw/zinc/68/26/33/1194682633.db2.gz WIBLNEQXVPPIFF-LBPRGKRZSA-N -1 0 399.469 0.862 20 0 GCADRM COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000422655403 1194682714 /nfs/dbraw/zinc/68/27/14/1194682714.db2.gz ZMPVZWFMNXWUQL-LLVKDONJSA-N -1 0 388.380 0.885 20 0 GCADRM CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422657753 1194682936 /nfs/dbraw/zinc/68/29/36/1194682936.db2.gz AZGTZIXOFHINIV-HNNXBMFYSA-N -1 0 391.424 0.857 20 0 GCADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])ccc21 ZINC000422664609 1194683352 /nfs/dbraw/zinc/68/33/52/1194683352.db2.gz SIZORBGXDJESEM-AWEZNQCLSA-N -1 0 375.381 0.236 20 0 GCADRM COCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc21 ZINC000422659973 1194683518 /nfs/dbraw/zinc/68/35/18/1194683518.db2.gz BAXRLHQEGLCESM-MRXNPFEDSA-N -1 0 391.424 0.776 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1S(N)(=O)=O ZINC000422683154 1194683723 /nfs/dbraw/zinc/68/37/23/1194683723.db2.gz LVNKQKGVXRMXPE-GFCCVEGCSA-N -1 0 399.469 0.977 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000422681726 1194683791 /nfs/dbraw/zinc/68/37/91/1194683791.db2.gz AIXYUVNBRIDZHG-GHMZBOCLSA-N -1 0 383.426 0.102 20 0 GCADRM COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422680544 1194683794 /nfs/dbraw/zinc/68/37/94/1194683794.db2.gz ZNMQVVRZAZNZNZ-DOMZBBRYSA-N -1 0 391.424 0.768 20 0 GCADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422682887 1194683798 /nfs/dbraw/zinc/68/37/98/1194683798.db2.gz BRZFIVHZALIPFF-RYUDHWBXSA-N -1 0 382.438 0.988 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000422681637 1194683818 /nfs/dbraw/zinc/68/38/18/1194683818.db2.gz ACLAIWYRCKYRIZ-NWDGAFQWSA-N -1 0 377.397 0.449 20 0 GCADRM COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000422684388 1194684198 /nfs/dbraw/zinc/68/41/98/1194684198.db2.gz GQPJQFFEBRUWCS-SECBINFHSA-N -1 0 382.369 0.608 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000422684932 1194684240 /nfs/dbraw/zinc/68/42/40/1194684240.db2.gz FXNKGUXIDFHUMI-UWVGGRQHSA-N -1 0 376.348 0.309 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000422685661 1194684254 /nfs/dbraw/zinc/68/42/54/1194684254.db2.gz HBZQUTUPNWKMSK-MNOVXSKESA-N -1 0 398.437 0.606 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cc3oc(=O)n(C)c3cc2F)C1 ZINC000422686087 1194684305 /nfs/dbraw/zinc/68/43/05/1194684305.db2.gz HSJJATHSXYPMIB-IUCAKERBSA-N -1 0 379.344 0.778 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000422687047 1194684527 /nfs/dbraw/zinc/68/45/27/1194684527.db2.gz IQQFDBWYSAWRAK-MWLCHTKSSA-N -1 0 383.426 0.150 20 0 GCADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000422664209 1194684695 /nfs/dbraw/zinc/68/46/95/1194684695.db2.gz RHCSQYVIJPWSBI-ZDUSSCGKSA-N -1 0 383.426 0.389 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000422687048 1194684754 /nfs/dbraw/zinc/68/47/54/1194684754.db2.gz IQQFDBWYSAWRAK-ONGXEEELSA-N -1 0 383.426 0.150 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000422665523 1194684932 /nfs/dbraw/zinc/68/49/32/1194684932.db2.gz YBZVFUHCTJSDQH-CQSZACIVSA-N -1 0 385.376 0.707 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccnn1[C@@H](C)CC(C)C)[C@H](C)C(=O)[O-] ZINC000422667938 1194684988 /nfs/dbraw/zinc/68/49/88/1194684988.db2.gz BFEHFBCATMAWHV-QWHCGFSZSA-N -1 0 395.460 0.867 20 0 GCADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cn1 ZINC000422666584 1194685065 /nfs/dbraw/zinc/68/50/65/1194685065.db2.gz KJEXRUNZVGTOMG-JQWIXIFHSA-N -1 0 382.417 0.735 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422665133 1194685070 /nfs/dbraw/zinc/68/50/70/1194685070.db2.gz VFVNTEMGKWPEBZ-LBPRGKRZSA-N -1 0 387.389 0.090 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccnn1[C@@H](C)CC(C)C)[C@@H](C)C(=O)[O-] ZINC000422667939 1194685147 /nfs/dbraw/zinc/68/51/47/1194685147.db2.gz BFEHFBCATMAWHV-STQMWFEESA-N -1 0 395.460 0.867 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc(OC)c1 ZINC000422668059 1194685360 /nfs/dbraw/zinc/68/53/60/1194685360.db2.gz BYUJIJCCFLJXIX-SNVBAGLBSA-N -1 0 381.385 0.080 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000422667832 1194685371 /nfs/dbraw/zinc/68/53/71/1194685371.db2.gz AQGUXRRHCZUUKY-ZETCQYMHSA-N -1 0 375.303 0.480 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000422667831 1194685420 /nfs/dbraw/zinc/68/54/20/1194685420.db2.gz AQGUXRRHCZUUKY-SSDOTTSWSA-N -1 0 375.303 0.480 20 0 GCADRM COc1cc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1F ZINC000422668581 1194685486 /nfs/dbraw/zinc/68/54/86/1194685486.db2.gz DZGZNJPAMYTEIV-JTQLQIEISA-N -1 0 383.376 0.519 20 0 GCADRM COc1c(F)cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1F ZINC000422668984 1194685551 /nfs/dbraw/zinc/68/55/51/1194685551.db2.gz GFUBWQUGKNGAEB-QMMMGPOBSA-N -1 0 387.339 0.350 20 0 GCADRM CCOc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1C ZINC000422670829 1194685725 /nfs/dbraw/zinc/68/57/25/1194685725.db2.gz LGLPAJNQKFBUHE-GFCCVEGCSA-N -1 0 379.413 0.770 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H](C)C(=O)[O-] ZINC000422669824 1194685875 /nfs/dbraw/zinc/68/58/75/1194685875.db2.gz IRYOANNSFUKBDT-VIFPVBQESA-N -1 0 384.458 0.817 20 0 GCADRM CCCC[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)C(=O)[O-] ZINC000422669192 1194685897 /nfs/dbraw/zinc/68/58/97/1194685897.db2.gz GYCTVNHTEQHFOG-CQSZACIVSA-N -1 0 391.424 0.920 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OCC(C)C)nc1)[C@H](C)C(=O)[O-] ZINC000422670734 1194685904 /nfs/dbraw/zinc/68/59/04/1194685904.db2.gz LAHAAVZZQGQYGM-GFCCVEGCSA-N -1 0 394.428 0.493 20 0 GCADRM COc1cc(F)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1F ZINC000422671104 1194685937 /nfs/dbraw/zinc/68/59/37/1194685937.db2.gz MFDJIFUBIJSFFM-MRVPVSSYSA-N -1 0 387.339 0.350 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)cc1Cl)[C@H](C)C(=O)[O-] ZINC000422671432 1194686168 /nfs/dbraw/zinc/68/61/68/1194686168.db2.gz NGJYBTLKTANUFR-SSDOTTSWSA-N -1 0 391.758 0.995 20 0 GCADRM COc1c(F)cc(F)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422671473 1194686205 /nfs/dbraw/zinc/68/62/05/1194686205.db2.gz NIVKAQRTLJYEOQ-MRVPVSSYSA-N -1 0 387.339 0.350 20 0 GCADRM CCCOc1ccccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422672994 1194686303 /nfs/dbraw/zinc/68/63/03/1194686303.db2.gz RTBNKEPCDVXFJN-GFCCVEGCSA-N -1 0 379.413 0.852 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCCO2)[C@@H](C)C(=O)[O-] ZINC000422672492 1194686355 /nfs/dbraw/zinc/68/63/55/1194686355.db2.gz QLEQVZVVTWSKSV-NSHDSACASA-N -1 0 377.397 0.388 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H](C)C(=O)[O-] ZINC000422674853 1194686547 /nfs/dbraw/zinc/68/65/47/1194686547.db2.gz XHJMEXJEQCJNBP-VIFPVBQESA-N -1 0 384.458 0.817 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000422673959 1194686676 /nfs/dbraw/zinc/68/66/76/1194686676.db2.gz VBZHSEDZXRJUED-AWEZNQCLSA-N -1 0 393.444 0.640 20 0 GCADRM CCC(=O)c1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000422674867 1194686685 /nfs/dbraw/zinc/68/66/85/1194686685.db2.gz XJPXISPJFWZPFB-NSHDSACASA-N -1 0 377.397 0.656 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1C)C(=O)[O-] ZINC000422673821 1194686709 /nfs/dbraw/zinc/68/67/09/1194686709.db2.gz UUYXQVKHOPKYRO-AWEZNQCLSA-N -1 0 379.413 0.818 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N2CCCC2)c1)[C@@H](C)C(=O)[O-] ZINC000422673194 1194686804 /nfs/dbraw/zinc/68/68/04/1194686804.db2.gz SNTQEIZSHIMIQB-ZDUSSCGKSA-N -1 0 390.440 0.663 20 0 GCADRM CCOc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1OC ZINC000422673765 1194686818 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SAIYUDNZGZWEHM-CQSZACIVSA-N -1 0 385.417 0.562 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001593802240 954857925 /nfs/dbraw/zinc/85/79/25/954857925.db2.gz TYWZCPFJRQZSRB-ZIAGYGMSSA-N -1 0 384.454 0.523 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NCCc2cc(-c3ccncc3)n[nH]2)CC1 ZINC001594938781 954860103 /nfs/dbraw/zinc/86/01/03/954860103.db2.gz CDSNRMVGRRJQLM-UHFFFAOYSA-N -1 0 379.442 0.645 20 0 GCADRM O=C([O-])C1CCN(c2ccc(C[NH2+]C[C@]34COC(=O)N3CCOC4)o2)CC1 ZINC001594939235 954864945 /nfs/dbraw/zinc/86/49/45/954864945.db2.gz CGEQDWNPIGTOTI-SFHVURJKSA-N -1 0 379.413 0.891 20 0 GCADRM CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001589462893 954866431 /nfs/dbraw/zinc/86/64/31/954866431.db2.gz NFIWSYYYVONKFM-ZDUSSCGKSA-N -1 0 394.476 0.767 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CC1 ZINC001594939260 954867447 /nfs/dbraw/zinc/86/74/47/954867447.db2.gz MWYXDIKNZIVHBF-NSHDSACASA-N -1 0 394.396 0.336 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)CC1 ZINC001594939795 954874240 /nfs/dbraw/zinc/87/42/40/954874240.db2.gz XWZWOGHXNLQYHG-LBPRGKRZSA-N -1 0 392.424 0.747 20 0 GCADRM O=C([O-])C1CCN(c2ccc(CN[C@@H]3C(=O)NCC34CCOCC4)o2)CC1 ZINC001594939874 954876674 /nfs/dbraw/zinc/87/66/74/954876674.db2.gz RLMHOAKFOXGLLG-MRXNPFEDSA-N -1 0 377.441 0.965 20 0 GCADRM COC(=O)[C@@](C)(Cc1ccc(F)cc1)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593804288 954882103 /nfs/dbraw/zinc/88/21/03/954882103.db2.gz PWFLZUWSQWNABG-XJKSGUPXSA-N -1 0 388.417 0.683 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC001589463989 954882286 /nfs/dbraw/zinc/88/22/86/954882286.db2.gz KZOXGHSMEYRZDB-SUNYJGFJSA-N -1 0 385.461 0.535 20 0 GCADRM COC(=O)[C@H](C)CN(C)C(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001593806108 954907465 /nfs/dbraw/zinc/90/74/65/954907465.db2.gz WLHATPMRDXZENT-DIFFPNOSSA-N -1 0 388.417 0.345 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)Cc2ccccc21 ZINC001594943199 954907843 /nfs/dbraw/zinc/90/78/43/954907843.db2.gz SIQYECQRCWOILE-CZUORRHYSA-N -1 0 387.417 0.927 20 0 GCADRM COC(=O)[C@H](CNC(=O)COCC(=O)[O-])Oc1ccc(Br)cc1 ZINC001593806891 954912291 /nfs/dbraw/zinc/91/22/91/954912291.db2.gz MPFABWNCFLJQKW-NSHDSACASA-N -1 0 390.186 0.587 20 0 GCADRM COC(=O)[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(OC)cc1 ZINC001593809980 954925463 /nfs/dbraw/zinc/92/54/63/954925463.db2.gz DJPGYVGVSZUTIR-UKRRQHHQSA-N -1 0 378.381 0.349 20 0 GCADRM COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593810736 954934617 /nfs/dbraw/zinc/93/46/17/954934617.db2.gz JMGKMFZXRFZVDI-QWRGUYRKSA-N -1 0 379.287 0.885 20 0 GCADRM COC(=O)[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccc2c(c1)CCO2 ZINC001593811037 954938827 /nfs/dbraw/zinc/93/88/27/954938827.db2.gz MBNOFEVKBODJIA-XJKSGUPXSA-N -1 0 390.392 0.275 20 0 GCADRM COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC001593812308 954958415 /nfs/dbraw/zinc/95/84/15/954958415.db2.gz BEYZPTKKVBCFEQ-INIZCTEOSA-N -1 0 384.816 0.800 20 0 GCADRM COC(=O)C1([C@]2(O)CCCN(C(=O)C3(CC(=O)[O-])CCOCC3)C2)CCC1 ZINC001593812903 954964631 /nfs/dbraw/zinc/96/46/31/954964631.db2.gz MMENSLJZCYQURM-IBGZPJMESA-N -1 0 383.441 0.955 20 0 GCADRM CCC(CC)(CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)C(=O)[O-] ZINC001589481757 954982187 /nfs/dbraw/zinc/98/21/87/954982187.db2.gz MESBRFVQXNECET-ZYHUDNBSSA-N -1 0 392.499 0.783 20 0 GCADRM COC(=O)[C@@]1(c2ccccc2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001593815520 955000695 /nfs/dbraw/zinc/00/06/95/955000695.db2.gz ICBKDPFAGUJERN-SFHVURJKSA-N -1 0 396.465 0.845 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC001594959753 955002191 /nfs/dbraw/zinc/00/21/91/955002191.db2.gz DNCNCSSBHKIRIR-UONOGXRCSA-N -1 0 377.422 0.642 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(N2CCOC2=O)ccc1F ZINC001594960068 955006447 /nfs/dbraw/zinc/00/64/47/955006447.db2.gz NYNIDHHTWYGORT-LBPRGKRZSA-N -1 0 386.357 0.106 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C1CC(O)(c2cccc(Cl)c2)C1 ZINC001594960130 955008224 /nfs/dbraw/zinc/00/82/24/955008224.db2.gz QCLZUWLJPZKWTK-XNVJVGRKSA-N -1 0 387.841 0.648 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001594960212 955009822 /nfs/dbraw/zinc/00/98/22/955009822.db2.gz SILYTCWJCWBKEA-STQMWFEESA-N -1 0 375.443 0.063 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Br)cnc1Cl ZINC001594960486 955012095 /nfs/dbraw/zinc/01/20/95/955012095.db2.gz YOPVMLFSUKJNBX-QMMMGPOBSA-N -1 0 397.634 0.821 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCc3cnc(C)n3C1)C[C@@H]2C(=O)[O-] ZINC001593819217 955014731 /nfs/dbraw/zinc/01/47/31/955014731.db2.gz AYVSWLMCADZHFF-CECOHMBGSA-N -1 0 375.425 0.866 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCc3cnc(C)n3C1)C[C@H]2C(=O)[O-] ZINC001593819220 955015155 /nfs/dbraw/zinc/01/51/55/955015155.db2.gz AYVSWLMCADZHFF-WTWWAQLFSA-N -1 0 375.425 0.866 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CO3)C[C@@H]2C(=O)[O-] ZINC001593819320 955016030 /nfs/dbraw/zinc/01/60/30/955016030.db2.gz GKVDPICNBWDBFU-ARAINJGVSA-N -1 0 389.364 0.139 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)C[C@H]2C(=O)[O-] ZINC001593819487 955017807 /nfs/dbraw/zinc/01/78/07/955017807.db2.gz CSTXZLYRVWADPT-CZPKSMQSSA-N -1 0 375.443 0.168 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1COc3ccc(O)cc3O1)C[C@H]2C(=O)[O-] ZINC001593819576 955018558 /nfs/dbraw/zinc/01/85/58/955018558.db2.gz FLMIXEDZXFZXIA-RQKOCXACSA-N -1 0 391.376 0.644 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCc3nnn(C)c3C1)C[C@@H]2C(=O)[O-] ZINC001593819864 955023249 /nfs/dbraw/zinc/02/32/49/955023249.db2.gz HGMFGUDLBXTXJK-YQAPOHQSSA-N -1 0 376.413 0.032 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1noc2c1CCc1ccccc1-2 ZINC001594962300 955023734 /nfs/dbraw/zinc/02/37/34/955023734.db2.gz QXXASPXMVQJEPS-ZDUSSCGKSA-N -1 0 376.390 0.764 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cnc(CCC(F)(F)F)s1 ZINC001594962465 955024653 /nfs/dbraw/zinc/02/46/53/955024653.db2.gz SXXCECHYFIMENC-ZETCQYMHSA-N -1 0 386.373 0.962 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)/C=C\COC1CCOCC1)C[C@H]2C(=O)[O-] ZINC001593820429 955030970 /nfs/dbraw/zinc/03/09/70/955030970.db2.gz LAYKUHNJJZPSOS-IRBNPUKOSA-N -1 0 381.425 0.851 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCCN(C(=O)C3CC3)C1)C[C@H]2C(=O)[O-] ZINC001593820682 955033245 /nfs/dbraw/zinc/03/32/45/955033245.db2.gz MHJPMCZFSRNZRR-UAWGMYSWSA-N -1 0 392.452 0.747 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(=O)c1ccsc1)C[C@H]2C(=O)[O-] ZINC001593820851 955036269 /nfs/dbraw/zinc/03/62/69/955036269.db2.gz GJBFMHWUBFKMIQ-JKGQDXBKSA-N -1 0 380.422 0.590 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1c(=O)[nH]c3ccccc31)C[C@H]2C(=O)[O-] ZINC001593821086 955036974 /nfs/dbraw/zinc/03/69/74/955036974.db2.gz HCNXEHZAWPMALU-WZEQGRABSA-N -1 0 387.392 0.854 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1ncc(=O)c3ccccc31)C[C@@H]2C(=O)[O-] ZINC001593821051 955037220 /nfs/dbraw/zinc/03/72/20/955037220.db2.gz GXLMJKNDLOEOQL-HHGQXBFMSA-N -1 0 399.403 0.509 20 0 GCADRM COC(=O)[C@H]1CC12CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)CC2 ZINC001593821113 955038083 /nfs/dbraw/zinc/03/80/83/955038083.db2.gz PCJZHKNZFXLNCX-CHWSQXEVSA-N -1 0 381.429 0.437 20 0 GCADRM O=C([O-])C=Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)co1 ZINC001594964924 955041025 /nfs/dbraw/zinc/04/10/25/955041025.db2.gz BRNVJHHBVKJQFM-UPHRSURJSA-N -1 0 380.382 0.247 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@@H](C)Cn1cccn1)C[C@H]2C(=O)[O-] ZINC001593821507 955041872 /nfs/dbraw/zinc/04/18/72/955041872.db2.gz KESGTHDYIQGVMT-VUULHSHRSA-N -1 0 378.429 0.815 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCOC[C@@H]1CCCO1)C[C@@H]2C(=O)[O-] ZINC001593821496 955042505 /nfs/dbraw/zinc/04/25/05/955042505.db2.gz JZVBSYUCRVRGGN-RYTBJUFESA-N -1 0 384.429 0.477 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CC(=O)N(CC3CC3)C1)C[C@H]2C(=O)[O-] ZINC001593821545 955043670 /nfs/dbraw/zinc/04/36/70/955043670.db2.gz KZNGMNPAZJDFGT-AWTNTWDUSA-N -1 0 393.440 0.293 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCC(=O)NC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593821791 955046064 /nfs/dbraw/zinc/04/60/64/955046064.db2.gz OCRJTXDPBVBSDJ-BJCXPLBRSA-N -1 0 383.445 0.587 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCC1(O)CCOCC1)C[C@@H]2C(=O)[O-] ZINC001593821772 955046610 /nfs/dbraw/zinc/04/66/10/955046610.db2.gz NQNXTGFKBJPEPD-UIORMTCPSA-N -1 0 384.429 0.213 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](C(C)C)N1CCCC1=O)C[C@@H]2C(=O)[O-] ZINC001593821883 955047754 /nfs/dbraw/zinc/04/77/54/955047754.db2.gz WGWWRHGIBXAQKI-GHGJTTARSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCNC(=O)C(C)C)C[C@@H]2C(=O)[O-] ZINC001593821826 955047839 /nfs/dbraw/zinc/04/78/39/955047839.db2.gz OUPDAUPOGCOYLM-YNAXMUEKSA-N -1 0 383.445 0.444 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCOC[C@@H]1CCCO1)C[C@@H]2C(=O)[O-] ZINC001593821821 955047957 /nfs/dbraw/zinc/04/79/57/955047957.db2.gz ORNGRMAQYXXLLU-UARSRXHTSA-N -1 0 398.456 0.868 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C[C@H]2C(=O)[O-] ZINC001593821937 955049229 /nfs/dbraw/zinc/04/92/29/955049229.db2.gz YEWLDYWKQNDCKV-FBWYHRDQSA-N -1 0 387.454 0.455 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCNC(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593822023 955050085 /nfs/dbraw/zinc/05/00/85/955050085.db2.gz RPYSTCOWOIUPBO-BJCXPLBRSA-N -1 0 399.444 0.807 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H](C)Cc1cnn(C)c1)C[C@@H]2C(=O)[O-] ZINC001593822232 955051327 /nfs/dbraw/zinc/05/13/27/955051327.db2.gz UNKMUSKWKDRPRG-ZHKKWPCLSA-N -1 0 378.429 0.647 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H](c1nncn1C)C(C)C)C[C@H]2C(=O)[O-] ZINC001593822459 955054567 /nfs/dbraw/zinc/05/45/67/955054567.db2.gz YMOJJDSDURWHCU-NKXNIHSHSA-N -1 0 393.444 0.808 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H](C)CN1CCOCC1)C[C@@H]2C(=O)[O-] ZINC001593822495 955054990 /nfs/dbraw/zinc/05/49/90/955054990.db2.gz ZFHCPCZJUXCNDS-CZJPOVKDSA-N -1 0 383.445 0.003 20 0 GCADRM 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RDZMMEMLOZQTAJ-UHFFFAOYSA-N -1 0 394.808 0.705 20 0 GCADRM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573776083 960679396 /nfs/dbraw/zinc/67/93/96/960679396.db2.gz GEQNDCCKEKLVOK-YCPHGPKFSA-N -1 0 396.488 0.788 20 0 GCADRM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001573776302 960685244 /nfs/dbraw/zinc/68/52/44/960685244.db2.gz KOMUIOKDGWGKTP-JTQLQIEISA-N -1 0 381.414 0.692 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588688695 960693487 /nfs/dbraw/zinc/69/34/87/960693487.db2.gz GYDIFLPVNYDDQH-CYBMUJFWSA-N -1 0 389.449 0.803 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001603286808 972525808 /nfs/dbraw/zinc/52/58/08/972525808.db2.gz LUWYAELZPWOSBF-NSHDSACASA-N -1 0 393.421 0.414 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC001588690855 960710018 /nfs/dbraw/zinc/71/00/18/960710018.db2.gz NHIRBVAIRFIPIY-CYBMUJFWSA-N -1 0 383.445 0.779 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccc(F)c3)CC2)CCO1 ZINC001261384064 960729398 /nfs/dbraw/zinc/72/93/98/960729398.db2.gz FCMFHNIPUPILFQ-HNNXBMFYSA-N -1 0 379.388 0.223 20 0 GCADRM CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC001261503161 960736358 /nfs/dbraw/zinc/73/63/58/960736358.db2.gz NVBUAXZZSFNITM-JTQLQIEISA-N -1 0 397.453 0.938 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@H](CO)CC2CCC2)C1 ZINC001588693604 960738840 /nfs/dbraw/zinc/73/88/40/960738840.db2.gz CABXVPHWZONEGC-UGSOOPFHSA-N -1 0 386.445 0.744 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001588693552 960738966 /nfs/dbraw/zinc/73/89/66/960738966.db2.gz AWGUCDVLVAJFPT-KZULUSFZSA-N -1 0 394.428 0.474 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)CC1 ZINC001588693677 960740121 /nfs/dbraw/zinc/74/01/21/960740121.db2.gz DTZNGWZTFJTXDJ-UGSOOPFHSA-N -1 0 383.445 0.099 20 0 GCADRM Cc1cc(=O)cc(C)n1CCCC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574306524 960741081 /nfs/dbraw/zinc/74/10/81/960741081.db2.gz MBNSXJIBRAXHOU-MRXNPFEDSA-N -1 0 377.441 0.827 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N(CCO)CC(F)F)C1 ZINC001588693765 960742371 /nfs/dbraw/zinc/74/23/71/960742371.db2.gz GFFFIVMSLBSJNT-OAHLLOKOSA-N -1 0 382.360 0.163 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001588693861 960745221 /nfs/dbraw/zinc/74/52/21/960745221.db2.gz IUFDWDAXCZDUBL-HNNXBMFYSA-N -1 0 377.463 0.581 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC001588693966 960745980 /nfs/dbraw/zinc/74/59/80/960745980.db2.gz LYPKOVCGPABPEX-CSVHQOIRSA-N -1 0 396.440 0.617 20 0 GCADRM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)[O-] ZINC001573790330 960746383 /nfs/dbraw/zinc/74/63/83/960746383.db2.gz LLVMGXLXMAVDEJ-UHFFFAOYSA-N -1 0 386.470 0.920 20 0 GCADRM Cc1c(Cl)c(C(=O)NC2(C(=O)[O-])CCOCC2)sc1S(N)(=O)=O ZINC001574307316 960746638 /nfs/dbraw/zinc/74/66/38/960746638.db2.gz ZFGYPUYLHQLPFD-UHFFFAOYSA-N -1 0 382.847 0.721 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC[C@@](O)(C3CC3)C2)C1 ZINC001588693946 960747392 /nfs/dbraw/zinc/74/73/92/960747392.db2.gz LMLVQLFZRQQWQM-ZWKOTPCHSA-N -1 0 384.429 0.451 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001588694175 960750642 /nfs/dbraw/zinc/75/06/42/960750642.db2.gz PUSPMCGQKKYHFB-KZULUSFZSA-N -1 0 394.428 0.474 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NC[C@@](C)(O)c2ccco2)C1 ZINC001588694210 960750968 /nfs/dbraw/zinc/75/09/68/960750968.db2.gz QGLWEYIAPLXDTA-MSOLQXFVSA-N -1 0 398.412 0.694 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CCn3nccc3C2)C1 ZINC001588694119 960751310 /nfs/dbraw/zinc/75/13/10/960751310.db2.gz OQXJLCBVZRNTRA-QGZVFWFLSA-N -1 0 380.401 0.316 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CCc3c[nH]nc3C2)C1 ZINC001588694524 960752678 /nfs/dbraw/zinc/75/26/78/960752678.db2.gz SPZIDHIVKRFCDW-KRWDZBQOSA-N -1 0 380.401 0.385 20 0 GCADRM COc1cc2c(cc1OC)CN(CC(=O)NC1(C(=O)[O-])CCOCC1)CC2 ZINC001261646881 960754330 /nfs/dbraw/zinc/75/43/30/960754330.db2.gz ZPDDQHCWIUHXAR-UHFFFAOYSA-N -1 0 378.425 0.812 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC001588694984 960754377 /nfs/dbraw/zinc/75/43/77/960754377.db2.gz UXMZSYBTWPKLTC-LXIYXOSZSA-N -1 0 384.429 0.761 20 0 GCADRM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1(C(=O)[O-])CCOCC1 ZINC001261646440 960754694 /nfs/dbraw/zinc/75/46/94/960754694.db2.gz IYEAZSYMZNPVRZ-UHFFFAOYSA-N -1 0 395.437 0.331 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@@H]2CCn3cncc3C2)C1 ZINC001588694549 960755184 /nfs/dbraw/zinc/75/51/84/960755184.db2.gz UMGXYKXYUWQCHA-KZULUSFZSA-N -1 0 394.428 0.405 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N=S2(=O)CCOCC2)C1 ZINC001588694532 960755305 /nfs/dbraw/zinc/75/53/05/960755305.db2.gz TXOKBGGZLSCWCE-OAHLLOKOSA-N -1 0 392.430 0.102 20 0 GCADRM CSC[C@H](C(=O)Nc1cc(C(=O)[O-])n[nH]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001604957331 972531373 /nfs/dbraw/zinc/53/13/73/972531373.db2.gz FCRWUCWHRGOIKI-FXPVBKGRSA-N -1 0 380.426 0.953 20 0 GCADRM CCOc1ccc(S(=O)(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001261834644 960761564 /nfs/dbraw/zinc/76/15/64/960761564.db2.gz QTHGWPBNOORINH-QGZVFWFLSA-N -1 0 384.454 0.635 20 0 GCADRM COc1cc(OC)c(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1OC ZINC001261843331 960763736 /nfs/dbraw/zinc/76/37/36/960763736.db2.gz CQRQVUBHAOMDQW-IBGZPJMESA-N -1 0 394.424 0.714 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001588696387 960766885 /nfs/dbraw/zinc/76/68/85/960766885.db2.gz FFLIZQQAAUJNAA-LLVKDONJSA-N -1 0 390.458 0.392 20 0 GCADRM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC001574312682 960768731 /nfs/dbraw/zinc/76/87/31/960768731.db2.gz SSGUDFWNSISROT-KOLCDFICSA-N -1 0 375.303 0.832 20 0 GCADRM Cc1cn(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)nc1C(F)(F)F ZINC001261843757 960769247 /nfs/dbraw/zinc/76/92/47/960769247.db2.gz QYBZAOHHOSCQBI-OAHLLOKOSA-N -1 0 390.362 0.598 20 0 GCADRM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001261843904 960771104 /nfs/dbraw/zinc/77/11/04/960771104.db2.gz VSDYBTBNRIKVSQ-RDTXWAMCSA-N -1 0 399.513 0.466 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@H](CO)C(F)(F)F)C1 ZINC001588697764 960772032 /nfs/dbraw/zinc/77/20/32/960772032.db2.gz FUKCHKGMRGJEBK-AMIZOPFISA-N -1 0 386.323 0.117 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCc2ccc(=O)[nH]c2)C1 ZINC001588698710 960784490 /nfs/dbraw/zinc/78/44/90/960784490.db2.gz LWJMUAHNHHBRHR-QGZVFWFLSA-N -1 0 381.385 0.494 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NC[C@@H]2CCC[C@@H](O)C2)C1 ZINC001588698700 960785863 /nfs/dbraw/zinc/78/58/63/960785863.db2.gz LTEMYVNLNYRCDL-VFVRVIDISA-N -1 0 386.445 0.744 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CO1 ZINC001588698821 960786701 /nfs/dbraw/zinc/78/67/01/960786701.db2.gz AKWQBKCCQUROJS-LLVKDONJSA-N -1 0 379.435 0.168 20 0 GCADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001262157219 960788701 /nfs/dbraw/zinc/78/87/01/960788701.db2.gz WWIIHVUYUQSZIZ-QWHCGFSZSA-N -1 0 383.488 0.001 20 0 GCADRM O=C([O-])[C@H](CC1CCOCC1)NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001262157220 960789453 /nfs/dbraw/zinc/78/94/53/960789453.db2.gz WWIIHVUYUQSZIZ-STQMWFEESA-N -1 0 383.488 0.001 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588699538 960797995 /nfs/dbraw/zinc/79/79/95/960797995.db2.gz OYBDZBDHAMVNIJ-STQMWFEESA-N -1 0 399.444 0.062 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588703193 960823442 /nfs/dbraw/zinc/82/34/42/960823442.db2.gz KNQFHUGLHURGGT-PCJJGOFDSA-N -1 0 392.412 0.761 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CC1 ZINC001588706692 960848141 /nfs/dbraw/zinc/84/81/41/960848141.db2.gz QJMFFFIFOHTHKJ-RYUDHWBXSA-N -1 0 377.463 0.673 20 0 GCADRM CC[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC001573805614 960855365 /nfs/dbraw/zinc/85/53/65/960855365.db2.gz SDTPENCLVCSSCP-JSGCOSHPSA-N -1 0 384.454 0.985 20 0 GCADRM CC[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C(=O)NCc1cccs1 ZINC001573811431 960902525 /nfs/dbraw/zinc/90/25/25/960902525.db2.gz YLHRZGWPVRYJLF-CYBMUJFWSA-N -1 0 377.422 0.819 20 0 GCADRM Cc1cc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)ccc1S(=O)(=O)N(C)C ZINC001574337953 960915914 /nfs/dbraw/zinc/91/59/14/960915914.db2.gz RVPCMFSUNKFANT-ZDUSSCGKSA-N -1 0 397.453 0.507 20 0 GCADRM CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588715136 960946033 /nfs/dbraw/zinc/94/60/33/960946033.db2.gz OKSTUQDYGTTYND-RSLFNQERSA-N -1 0 384.429 0.476 20 0 GCADRM CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1=O ZINC001588715234 960947563 /nfs/dbraw/zinc/94/75/63/960947563.db2.gz COKUDGZJKVCEST-JHJVBQTASA-N -1 0 383.445 0.729 20 0 GCADRM CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)NCC(=O)[O-])C[C@H]1C(F)(F)F ZINC001588715726 960955979 /nfs/dbraw/zinc/95/59/79/960955979.db2.gz RZKVRVMUZRMGKJ-NXEZZACHSA-N -1 0 383.367 0.822 20 0 GCADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1 ZINC001573821628 960961881 /nfs/dbraw/zinc/96/18/81/960961881.db2.gz UWYHPDSILZLMTJ-LJQANCHMSA-N -1 0 388.424 0.658 20 0 GCADRM O=C([O-])[C@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)Oc1ccc(F)cc1 ZINC001320567835 960979413 /nfs/dbraw/zinc/97/94/13/960979413.db2.gz LQAYRCKIELFEKP-ZDUSSCGKSA-N -1 0 395.430 0.154 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@H](NC(=O)NC[C@@](C)(O)C(=O)[O-])C(F)(F)F ZINC001588717682 960990991 /nfs/dbraw/zinc/99/09/91/960990991.db2.gz XEROITGTTPEZJT-ISVAXAHUSA-N -1 0 387.355 0.967 20 0 GCADRM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001588717943 960999554 /nfs/dbraw/zinc/99/95/54/960999554.db2.gz MYPUOCNQRUWNTB-AULYBMBSSA-N -1 0 391.490 0.921 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001588719689 961012671 /nfs/dbraw/zinc/01/26/71/961012671.db2.gz PUXDXMJFNHVVPO-WOPDTQHZSA-N -1 0 392.474 0.684 20 0 GCADRM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001588724502 961019967 /nfs/dbraw/zinc/01/99/67/961019967.db2.gz DFWRPSNFUJOPEL-XYPYZODXSA-N -1 0 390.458 0.438 20 0 GCADRM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)C1 ZINC001588724831 961026714 /nfs/dbraw/zinc/02/67/14/961026714.db2.gz SAPLQFWYRDXVEX-XQQFMLRXSA-N -1 0 383.445 0.729 20 0 GCADRM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC001325833326 961061612 /nfs/dbraw/zinc/06/16/12/961061612.db2.gz FWOFSZVFNYGNGS-UHFFFAOYSA-N -1 0 381.454 0.742 20 0 GCADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001326013759 961065855 /nfs/dbraw/zinc/06/58/55/961065855.db2.gz MIZDPUHZOQWLKT-UHFFFAOYSA-N -1 0 397.453 0.452 20 0 GCADRM 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C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C1(S(C)(=O)=O)CC1 ZINC001609914526 970604643 /nfs/dbraw/zinc/60/46/43/970604643.db2.gz YECIMWVWYNTMHE-SMDDNHRTSA-N -1 0 379.438 0.788 20 0 GCADRM C[C@@](O)(CNC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001609955993 970619203 /nfs/dbraw/zinc/61/92/03/970619203.db2.gz YWYROZBVLIMMAZ-MEBBXXQBSA-N -1 0 386.430 0.077 20 0 GCADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1ccc(OC)cc1C(=O)OC ZINC001599237045 970634044 /nfs/dbraw/zinc/63/40/44/970634044.db2.gz FSWGHZVXUJVEBZ-UHFFFAOYSA-N -1 0 375.399 0.594 20 0 GCADRM CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001610437900 970745140 /nfs/dbraw/zinc/74/51/40/970745140.db2.gz POIYJDCCPMOIGA-INIZCTEOSA-N -1 0 388.424 0.561 20 0 GCADRM Cc1cc(C(=O)N2CC(C(=O)[O-])C2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001600080432 970756624 /nfs/dbraw/zinc/75/66/24/970756624.db2.gz YWEORRYQLSBAGK-UHFFFAOYSA-N -1 0 391.449 0.957 20 0 GCADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001604155048 972560962 /nfs/dbraw/zinc/56/09/62/972560962.db2.gz CIUJFXJOZFDSJX-LBPRGKRZSA-N -1 0 398.460 0.713 20 0 GCADRM CN(CCCC(=O)[O-])C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC001604155023 972561435 /nfs/dbraw/zinc/56/14/35/972561435.db2.gz ABSXVSBVGRYNBV-UHFFFAOYSA-N -1 0 390.483 0.635 20 0 GCADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001605831382 972566092 /nfs/dbraw/zinc/56/60/92/972566092.db2.gz PBMPVTXEOCIMFS-CTASWTNQSA-N -1 0 378.400 0.700 20 0 GCADRM CSc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001604971914 972568813 /nfs/dbraw/zinc/56/88/13/972568813.db2.gz ZDHSOUJNHJUSBK-FZMZJTMJSA-N -1 0 375.468 0.332 20 0 GCADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC001605837395 972570764 /nfs/dbraw/zinc/57/07/64/972570764.db2.gz GKDIDKWHVTXVCB-AOOOYVTPSA-N -1 0 381.435 0.891 20 0 GCADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC001605839495 972573505 /nfs/dbraw/zinc/57/35/05/972573505.db2.gz HBZIPHUTWCALKX-JOCQHMNTSA-N -1 0 375.381 0.746 20 0 GCADRM C[C@@H](NC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)C(=O)N(C)C ZINC001604988846 972578127 /nfs/dbraw/zinc/57/81/27/972578127.db2.gz CEVKRZGWRKKDQZ-KWCYVHTRSA-N -1 0 376.413 0.189 20 0 GCADRM O=C([O-])[C@@H]1CC(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)=NN1c1ccccc1 ZINC001605840290 972578456 /nfs/dbraw/zinc/57/84/56/972578456.db2.gz OKVDLCXHLKHTPR-ZDUSSCGKSA-N -1 0 397.395 0.699 20 0 GCADRM CC1(C(=O)[O-])CCN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001603301637 972581155 /nfs/dbraw/zinc/58/11/55/972581155.db2.gz AQJVKSUXEBKLHP-UHFFFAOYSA-N -1 0 390.440 0.315 20 0 GCADRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001605851783 972597453 /nfs/dbraw/zinc/59/74/53/972597453.db2.gz QXSMJNSSVDEKDU-HUUCEWRRSA-N -1 0 397.391 0.650 20 0 GCADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)cc21 ZINC001603309858 972599775 /nfs/dbraw/zinc/59/97/75/972599775.db2.gz JGEKSYYZHWWZNA-BTDLBPIBSA-N -1 0 380.422 0.638 20 0 GCADRM C[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)CN1CCOCC1 ZINC001604188764 972618360 /nfs/dbraw/zinc/61/83/60/972618360.db2.gz RAEXQDFLCSSKPL-INIZCTEOSA-N -1 0 381.473 0.706 20 0 GCADRM COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000393663489 972623665 /nfs/dbraw/zinc/62/36/65/972623665.db2.gz ZVXBJEPSFWFMTA-SNVBAGLBSA-N -1 0 387.186 0.311 20 0 GCADRM CN1C(=O)NCC12CCN(C(=O)C1=NN(c3ccccc3)[C@@H](C(=O)[O-])C1)CC2 ZINC001604196570 972639871 /nfs/dbraw/zinc/63/98/71/972639871.db2.gz OBRVBBUXBZUNCO-OAHLLOKOSA-N -1 0 385.424 0.722 20 0 GCADRM O=C([O-])[C@@H]1CC(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)=NN1c1ccccc1 ZINC001605871467 972642554 /nfs/dbraw/zinc/64/25/54/972642554.db2.gz XRAMEEYVBLQGSM-LRDDRELGSA-N -1 0 396.407 0.916 20 0 GCADRM C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC[N@@H+]1C ZINC001605063290 972677852 /nfs/dbraw/zinc/67/78/52/972677852.db2.gz QPFONKGOALQKGU-BJDJZHNGSA-N -1 0 379.379 0.839 20 0 GCADRM Cc1nc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])c(Br)n1C ZINC000394204074 972682780 /nfs/dbraw/zinc/68/27/80/972682780.db2.gz DWMVIBFZTWKNTD-SSDOTTSWSA-N -1 0 384.277 0.682 20 0 GCADRM O=C([O-])[C@@H](C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C1CCCC1 ZINC001605892556 972693290 /nfs/dbraw/zinc/69/32/90/972693290.db2.gz FKAFAGJHJXDCOU-WCQYABFASA-N -1 0 375.468 0.890 20 0 GCADRM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001605067225 972695625 /nfs/dbraw/zinc/69/56/25/972695625.db2.gz QMVURHUFNBZLFN-UHFFFAOYSA-N -1 0 380.445 0.545 20 0 GCADRM CN1CCN(C(=O)C2CCN(C(=O)Nc3ccnc(C(=O)[O-])c3)CC2)CC1 ZINC001604220648 972703294 /nfs/dbraw/zinc/70/32/94/972703294.db2.gz GZCGGTPVXCEECU-UHFFFAOYSA-N -1 0 375.429 0.798 20 0 GCADRM C[C@]1(C2CCN(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)CC2)COC(=O)N1 ZINC001603339400 972719710 /nfs/dbraw/zinc/71/97/10/972719710.db2.gz CKMAYFDLCMEQOQ-SCLBCKFNSA-N -1 0 396.444 0.372 20 0 GCADRM C[C@@]1(C2CCN(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)CC2)COC(=O)N1 ZINC001603339402 972719803 /nfs/dbraw/zinc/71/98/03/972719803.db2.gz CKMAYFDLCMEQOQ-UGSOOPFHSA-N -1 0 396.444 0.372 20 0 GCADRM C[C@@]1(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)COc2ccccc2O1 ZINC001603339442 972720650 /nfs/dbraw/zinc/72/06/50/972720650.db2.gz CVAILBRWGSXMSU-MRXNPFEDSA-N -1 0 383.422 0.612 20 0 GCADRM Cc1c(CNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)cnn1C ZINC001605082169 972721909 /nfs/dbraw/zinc/72/19/09/972721909.db2.gz LTVKCXWDPJYWIG-QGZVFWFLSA-N -1 0 382.417 0.435 20 0 GCADRM CN1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)Cc2cccnc21 ZINC001604221834 972722204 /nfs/dbraw/zinc/72/22/04/972722204.db2.gz XKNNTDREMWEIHG-AWEZNQCLSA-N -1 0 375.429 0.509 20 0 GCADRM CN1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)Cc2cccnc21 ZINC001604221835 972722547 /nfs/dbraw/zinc/72/25/47/972722547.db2.gz XKNNTDREMWEIHG-CQSZACIVSA-N -1 0 375.429 0.509 20 0 GCADRM Cc1c([C@H](C)NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cnn1C ZINC001605082407 972724824 /nfs/dbraw/zinc/72/48/24/972724824.db2.gz NRURRQYFIPFMPL-WCQYABFASA-N 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C[C@]1(c2ccc(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)cc2)NC(=O)NC1=O ZINC001603347750 972760131 /nfs/dbraw/zinc/76/01/31/972760131.db2.gz NXZXNMIBMSUPJS-CRPGXEFLSA-N -1 0 375.381 0.950 20 0 GCADRM C[C@]1(NC(=O)c2cn(CC(=O)[O-])nn2)CCN(C(=O)OCc2ccccc2)C1 ZINC001603348068 972763389 /nfs/dbraw/zinc/76/33/89/972763389.db2.gz WFPXDQSTSOVXOI-SFHVURJKSA-N -1 0 387.396 0.894 20 0 GCADRM CNC(=O)c1ccc(OC)c(NC(=O)N2CCO[C@](COC)(C(=O)[O-])C2)c1 ZINC001604247117 972766172 /nfs/dbraw/zinc/76/61/72/972766172.db2.gz IIGJDGKSCWVNOK-QGZVFWFLSA-N -1 0 381.385 0.389 20 0 GCADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC(=O)N(C3CC3)C2)C1=O ZINC001605910007 972769560 /nfs/dbraw/zinc/76/95/60/972769560.db2.gz MNBMTYFBCVJBFO-GDBMZVCRSA-N -1 0 386.408 0.387 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC001604248476 972769706 /nfs/dbraw/zinc/76/97/06/972769706.db2.gz BLWRKZFXEWWKDG-DOMZBBRYSA-N -1 0 383.470 0.889 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(C)o1 ZINC001604248573 972771579 /nfs/dbraw/zinc/77/15/79/972771579.db2.gz GXQVSWNJWGZBNV-ZDUSSCGKSA-N -1 0 382.394 0.627 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001604248549 972771830 /nfs/dbraw/zinc/77/18/30/972771830.db2.gz DZJGMLKJTPRFEF-SWLSCSKDSA-N -1 0 383.470 0.889 20 0 GCADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1CC(F)(F)F ZINC001605116016 972775944 /nfs/dbraw/zinc/77/59/44/972775944.db2.gz YFBHOSUZXDEXLL-NSHDSACASA-N -1 0 382.360 0.991 20 0 GCADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001604250058 972783428 /nfs/dbraw/zinc/78/34/28/972783428.db2.gz XNJZJTASBNGPIZ-GJZGRUSLSA-N -1 0 381.454 0.592 20 0 GCADRM COC(=O)C(C)(C)CNC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001604253734 972788869 /nfs/dbraw/zinc/78/88/69/972788869.db2.gz PRDJHXFJUUENRP-KBPBESRZSA-N -1 0 391.424 0.912 20 0 GCADRM O=C([O-])C1(C(=O)N2CCOC3(CCOCC3)CC2)CCS(=O)(=O)CC1 ZINC001605916147 972789853 /nfs/dbraw/zinc/78/98/53/972789853.db2.gz 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CC[C@](CNC(=O)CNS(=O)(=O)c1cn(C)cn1)(C(=O)[O-])c1ccccc1 ZINC001595144938 979610571 /nfs/dbraw/zinc/61/05/71/979610571.db2.gz XSKNOKYLILLFNE-QGZVFWFLSA-N -1 0 394.453 0.247 20 0 GCADRM Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000857253628 979626416 /nfs/dbraw/zinc/62/64/16/979626416.db2.gz PSIMCUJXEDWDHK-DZGCQCFKSA-N -1 0 378.429 0.015 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1)C(=O)[O-] ZINC001592852792 979638445 /nfs/dbraw/zinc/63/84/45/979638445.db2.gz FHEDJEQDIRFZFJ-LRDDRELGSA-N -1 0 378.425 0.792 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCC2(S(C)(=O)=O)CC2)cc1)C(=O)[O-] ZINC001592852835 979638685 /nfs/dbraw/zinc/63/86/85/979638685.db2.gz FWSDTVFSRZICFO-LLVKDONJSA-N -1 0 382.438 0.582 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1)C(=O)[O-] ZINC001592854766 979656293 /nfs/dbraw/zinc/65/62/93/979656293.db2.gz WHGKWTCJBZKYJP-CQSZACIVSA-N -1 0 377.441 0.727 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1)C(=O)[O-] ZINC001592858452 979672734 /nfs/dbraw/zinc/67/27/34/979672734.db2.gz GYZYDKINDJOQMA-LLVKDONJSA-N -1 0 399.407 0.336 20 0 GCADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)O1 ZINC000864101064 979684849 /nfs/dbraw/zinc/68/48/49/979684849.db2.gz HWXHXRZPHFHWCI-CABCVRRESA-N -1 0 382.438 0.293 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1)C(=O)[O-] ZINC001592861104 979695523 /nfs/dbraw/zinc/69/55/23/979695523.db2.gz PIDGTSXUHWIMSG-CYBMUJFWSA-N -1 0 398.485 0.388 20 0 GCADRM O=C([O-])[C@H]1COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000864119035 979713293 /nfs/dbraw/zinc/71/32/93/979713293.db2.gz UDTNTAPQCLIMHS-OAHLLOKOSA-N -1 0 382.438 0.471 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595171399 979736694 /nfs/dbraw/zinc/73/66/94/979736694.db2.gz HMNCTLNCDOSALR-HFXYEQLZSA-N -1 0 393.531 0.742 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001595172927 979747598 /nfs/dbraw/zinc/74/75/98/979747598.db2.gz VAMFBWGNOXCCBB-SNVBAGLBSA-N -1 0 382.435 0.438 20 0 GCADRM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001595173841 979751022 /nfs/dbraw/zinc/75/10/22/979751022.db2.gz FNTJSMHJHUHDMS-MRXNPFEDSA-N -1 0 377.441 0.557 20 0 GCADRM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])CC1 ZINC001595174000 979754168 /nfs/dbraw/zinc/75/41/68/979754168.db2.gz KUHKDMCEFZZIBV-CQSZACIVSA-N -1 0 377.441 0.855 20 0 GCADRM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CC1 ZINC001595174008 979754175 /nfs/dbraw/zinc/75/41/75/979754175.db2.gz LCAULJJJOPLERY-CQSZACIVSA-N -1 0 386.470 0.400 20 0 GCADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nn1 ZINC000864150526 979760511 /nfs/dbraw/zinc/76/05/11/979760511.db2.gz FTBMFRMOHBZYGK-GDPRMGEGSA-N -1 0 378.307 0.486 20 0 GCADRM C[C@H](Cc1cccc(O)c1)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592885988 979772413 /nfs/dbraw/zinc/77/24/13/979772413.db2.gz WWIBGCHWKQJWGG-AUUYWEPGSA-N -1 0 377.441 0.894 20 0 GCADRM O=C([O-])C1=CC[C@H](NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000864162401 979780264 /nfs/dbraw/zinc/78/02/64/979780264.db2.gz KYIVRUXZLNJFRS-ZDUSSCGKSA-N -1 0 380.422 0.611 20 0 GCADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000864169017 979795161 /nfs/dbraw/zinc/79/51/61/979795161.db2.gz FKSMIEVQLUHEKC-FWVUHSSSSA-N -1 0 382.438 0.669 20 0 GCADRM Cn1cc(/C=C/C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c(=O)n(C)c1=O ZINC000864170027 979796956 /nfs/dbraw/zinc/79/69/56/979796956.db2.gz UBRUKHFHVBYMJA-ZZXKWVIFSA-N -1 0 387.367 0.519 20 0 GCADRM C[C@@H](Cc1ccccc1F)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592896721 979799057 /nfs/dbraw/zinc/79/90/57/979799057.db2.gz UKZULUDGYMPVRK-JKOKRWQUSA-N -1 0 377.372 0.610 20 0 GCADRM C[C@H](Cc1cccs1)NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001592900084 979817668 /nfs/dbraw/zinc/81/76/68/979817668.db2.gz NXNDVBJAUNWGMX-MNOVXSKESA-N -1 0 377.426 0.559 20 0 GCADRM CC[C@@](COC)(NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001595188844 979865911 /nfs/dbraw/zinc/86/59/11/979865911.db2.gz UVSXHNMDLMYKCT-MRDQGFSESA-N -1 0 385.438 0.952 20 0 GCADRM CC[C@](COC)(NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001595188846 979865920 /nfs/dbraw/zinc/86/59/20/979865920.db2.gz UVSXHNMDLMYKCT-QUGAMOGWSA-N -1 0 385.438 0.952 20 0 GCADRM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864199556 979874215 /nfs/dbraw/zinc/87/42/15/979874215.db2.gz UUAZNWOFNCQRFK-KRWDZBQOSA-N -1 0 384.454 0.985 20 0 GCADRM CC[C@@](COC)(NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)C(=O)[O-] ZINC001595189941 979880141 /nfs/dbraw/zinc/88/01/41/979880141.db2.gz YWBMWLZHOUSHLN-RTHLEPHNSA-N -1 0 375.472 0.648 20 0 GCADRM CC[C@@](COC)(NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)[O-] ZINC001595193130 979884733 /nfs/dbraw/zinc/88/47/33/979884733.db2.gz FROZVRIJYUUDQU-IBGZPJMESA-N -1 0 391.424 0.321 20 0 GCADRM CC[C@](COC)(NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)[O-] ZINC001595193331 979887127 /nfs/dbraw/zinc/88/71/27/979887127.db2.gz IGZAJJDIEHTTMK-QGZVFWFLSA-N -1 0 396.421 0.603 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001592916477 979890261 /nfs/dbraw/zinc/89/02/61/979890261.db2.gz GZYZEMTTXBTOHC-IBGZPJMESA-N -1 0 384.392 0.919 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592917753 979896164 /nfs/dbraw/zinc/89/61/64/979896164.db2.gz TZTJVKARFCGHRS-KBXCAEBGSA-N -1 0 377.445 0.770 20 0 GCADRM C[C@@H](Cn1ccc2ccccc21)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592917846 979898044 /nfs/dbraw/zinc/89/80/44/979898044.db2.gz BHJDIVZFDFCISM-NOLJZWGESA-N -1 0 398.419 0.883 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)[O-] ZINC001592917941 979899026 /nfs/dbraw/zinc/89/90/26/979899026.db2.gz WEYRZUNHZNGAEM-GWIFVGGISA-N -1 0 395.485 0.568 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000864213038 979899429 /nfs/dbraw/zinc/89/94/29/979899429.db2.gz LKKXELHLISXUKR-CXAGYDPISA-N -1 0 396.465 0.666 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000864214206 979901305 /nfs/dbraw/zinc/90/13/05/979901305.db2.gz BFFDRTIRIOOIDA-FAAHXZRKSA-N -1 0 396.440 0.574 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000864214207 979901723 /nfs/dbraw/zinc/90/17/23/979901723.db2.gz BFFDRTIRIOOIDA-NMFUWQPSSA-N -1 0 396.440 0.574 20 0 GCADRM C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001592918367 979904534 /nfs/dbraw/zinc/90/45/34/979904534.db2.gz JFCLKMUIBRKRCE-ZBFHGGJFSA-N -1 0 386.456 0.972 20 0 GCADRM CC[C@@](COC)(NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)OC ZINC001595194804 979905028 /nfs/dbraw/zinc/90/50/28/979905028.db2.gz LBIXGRUZNVYPRD-KXBFYZLASA-N -1 0 378.425 0.582 20 0 GCADRM CC[C@@](COC)(NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C(=O)OC ZINC001595194801 979905326 /nfs/dbraw/zinc/90/53/26/979905326.db2.gz LBIXGRUZNVYPRD-BEFAXECRSA-N -1 0 378.425 0.582 20 0 GCADRM CC[C@](COC)(NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)[O-] ZINC001595195060 979909103 /nfs/dbraw/zinc/90/91/03/979909103.db2.gz OGLOKBHREQXCCT-CQSZACIVSA-N -1 0 393.849 0.395 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC001592923396 979923326 /nfs/dbraw/zinc/92/33/26/979923326.db2.gz ABEAFOGOQMOQER-KRWDZBQOSA-N -1 0 394.453 0.248 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001592923832 979927985 /nfs/dbraw/zinc/92/79/85/979927985.db2.gz DSCXNXAKDWTYOS-KUHUBIRLSA-N -1 0 384.392 0.362 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1c[nH]nc1I)C(=O)[O-] ZINC001592923828 979928116 /nfs/dbraw/zinc/92/81/16/979928116.db2.gz DQYCIWOZNPNNKO-LLVKDONJSA-N -1 0 389.153 0.484 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC001592923845 979928172 /nfs/dbraw/zinc/92/81/72/979928172.db2.gz FBIDJBITAPYZSQ-SFHVURJKSA-N -1 0 388.428 0.412 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(N)=O ZINC001592924741 979933390 /nfs/dbraw/zinc/93/33/90/979933390.db2.gz XJKBAPNURYXHCI-QGZVFWFLSA-N -1 0 391.453 0.604 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)[O-] ZINC001595199167 979935460 /nfs/dbraw/zinc/93/54/60/979935460.db2.gz UXQFOQPGQBIFKB-HNNXBMFYSA-N -1 0 390.483 0.811 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC001592925001 979937248 /nfs/dbraw/zinc/93/72/48/979937248.db2.gz PSFINDLWURQYOS-QGZVFWFLSA-N -1 0 392.437 0.597 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cccc2c1OCCCO2)C(=O)[O-] ZINC001592926517 979948487 /nfs/dbraw/zinc/94/84/87/979948487.db2.gz RUFRAMPNLKGLQH-MRXNPFEDSA-N -1 0 381.410 0.866 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1c(OC)cc(OC)cc1OC)C(=O)[O-] ZINC001595200374 979949795 /nfs/dbraw/zinc/94/97/95/979949795.db2.gz YWGQGQFPSJLOBK-OAHLLOKOSA-N -1 0 377.415 0.871 20 0 GCADRM COc1ccc([C@H]2COCCN2C(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000868349404 979952259 /nfs/dbraw/zinc/95/22/59/979952259.db2.gz ANICMKRBEOIASU-MRXNPFEDSA-N -1 0 376.409 0.918 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ZINC001599899910 984800454 /nfs/dbraw/zinc/80/04/54/984800454.db2.gz SXCRIUYTPQBJDC-QWRGUYRKSA-N -1 0 380.401 0.253 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(Br)c2nccn2c1)C(=O)[O-] ZINC001599900131 984805713 /nfs/dbraw/zinc/80/57/13/984805713.db2.gz YFUBBBDWMAAMLN-YUMQZZPRSA-N -1 0 383.202 0.804 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC001599900496 984812855 /nfs/dbraw/zinc/81/28/55/984812855.db2.gz UMMDHWFBHBTUTK-YUMQZZPRSA-N -1 0 384.332 0.841 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC001599900594 984817457 /nfs/dbraw/zinc/81/74/57/984817457.db2.gz ZNPWZAYYEBFWTO-WDSKDSINSA-N -1 0 385.261 0.767 20 0 GCADRM CCOC(=O)c1nc[nH]c1CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001596694430 984822720 /nfs/dbraw/zinc/82/27/20/984822720.db2.gz NRASPNLZSDRAEA-UHFFFAOYSA-N -1 0 383.382 0.528 20 0 GCADRM CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001596696598 984838399 /nfs/dbraw/zinc/83/83/99/984838399.db2.gz 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CCOC(=O)c1cc(CS(=O)(=O)N(CC(=O)[O-])C2CCOCC2)on1 ZINC001596707321 984915107 /nfs/dbraw/zinc/91/51/07/984915107.db2.gz XEEDIGLZKFMSTE-UHFFFAOYSA-N -1 0 376.387 0.247 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H](COC2CCC2)C(=O)[O-])cn1C ZINC001596712614 984926047 /nfs/dbraw/zinc/92/60/47/984926047.db2.gz JDMCRUUYONQPND-AWEZNQCLSA-N -1 0 388.442 0.845 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)cn1C ZINC001596712619 984927147 /nfs/dbraw/zinc/92/71/47/984927147.db2.gz JQPIVOPUWZXDJD-SNVBAGLBSA-N -1 0 376.456 0.640 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC[C@H]1C(=O)[O-] ZINC001599908925 984959292 /nfs/dbraw/zinc/95/92/92/984959292.db2.gz GAUXKXSYQZYOIV-BFHYXJOUSA-N -1 0 376.409 0.854 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC[C@H]1C(=O)[O-] ZINC001599909136 984961913 /nfs/dbraw/zinc/96/19/13/984961913.db2.gz LAMHSIAVUUEJOU-YFKTTZPYSA-N -1 0 380.363 0.575 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)C[C@]1(C)C(=O)[O-] ZINC001599909103 984962272 /nfs/dbraw/zinc/96/22/72/984962272.db2.gz KESQKRBBLSOBAK-DDIVZENXSA-N -1 0 380.363 0.575 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N(C)CCN2CC3(C2)CCOCC3)C[C@]1(C)C(=O)[O-] ZINC001599909626 984968312 /nfs/dbraw/zinc/96/83/12/984968312.db2.gz VRLDIVYNELLKTJ-KSSFIOAISA-N -1 0 381.473 0.126 20 0 GCADRM CCOC(=O)c1ccc(N2CCCN(C(=O)NC[C@H](F)C(=O)[O-])CC2)nc1 ZINC001596724071 984974289 /nfs/dbraw/zinc/97/42/89/984974289.db2.gz XCJBLEMUMXOSID-ZDUSSCGKSA-N -1 0 382.392 0.903 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)C[C@H](C)N1C ZINC001599910140 984974711 /nfs/dbraw/zinc/97/47/11/984974711.db2.gz LIMOZGGCKCCVIK-TXEJJXNPSA-N -1 0 378.429 0.630 20 0 GCADRM CCOC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)o1 ZINC001596725938 984980679 /nfs/dbraw/zinc/98/06/79/984980679.db2.gz BTEMUFILBDGAOB-SECBINFHSA-N -1 0 384.370 0.382 20 0 GCADRM CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)OC)c(F)c1 ZINC001596725968 984981043 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0.890 20 0 GCADRM CCOC(=O)c1cccc(S(=O)(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)c1 ZINC001596730774 984997955 /nfs/dbraw/zinc/99/79/55/984997955.db2.gz QDEBSNUMYZKGLA-OLZOCXBDSA-N -1 0 385.394 0.358 20 0 GCADRM CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001596732054 985006414 /nfs/dbraw/zinc/00/64/14/985006414.db2.gz ALRBZDGDWRJTQB-LLVKDONJSA-N -1 0 378.385 0.249 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)NCC[C@H]2COc3ccccc3O2)C[C@]1(C)C(=O)[O-] ZINC001599912681 985007151 /nfs/dbraw/zinc/00/71/51/985007151.db2.gz LUMVVWFICORKMS-JMERFSKESA-N -1 0 376.409 0.902 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C[C@]1(C)C(=O)[O-] ZINC001599913208 985015537 /nfs/dbraw/zinc/01/55/37/985015537.db2.gz QEXRPHABOLSFFT-RWSFTLGLSA-N -1 0 379.379 0.556 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)C[C@@H](C(=O)[O-])O1 ZINC001599913209 985015749 /nfs/dbraw/zinc/01/57/49/985015749.db2.gz QFFXSKRCAYLAJF-IHRRRGAJSA-N -1 0 384.429 0.269 20 0 GCADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC001596734464 985017786 /nfs/dbraw/zinc/01/77/86/985017786.db2.gz AOPCDGQYNDGZOC-SNVBAGLBSA-N -1 0 375.403 0.231 20 0 GCADRM C[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)C[C@]1(C)C(=O)[O-] ZINC001599913405 985018734 /nfs/dbraw/zinc/01/87/34/985018734.db2.gz SFTLZFRGBRARAX-PZROIBLQSA-N -1 0 383.445 0.633 20 0 GCADRM CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC001596734724 985019185 /nfs/dbraw/zinc/01/91/85/985019185.db2.gz DEUSPHLQWAJAFI-GXSJLCMTSA-N -1 0 375.403 0.135 20 0 GCADRM CCOC(=O)c1cn(CCNC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])cn1 ZINC001596736443 985027311 /nfs/dbraw/zinc/02/73/11/985027311.db2.gz XGEUHKHGHIQNRO-UHFFFAOYSA-N -1 0 390.396 0.956 20 0 GCADRM CC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])=NN1c1ccccc1 ZINC001589027436 985047600 /nfs/dbraw/zinc/04/76/00/985047600.db2.gz QOEVTXBGJCVIPF-HZPDHXFCSA-N -1 0 386.408 0.402 20 0 GCADRM CCOC(=O)c1cnn(C)c1NC(=O)CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001596740386 985047679 /nfs/dbraw/zinc/04/76/79/985047679.db2.gz HFGYYALPSNNKAY-VZZFWQQMSA-N -1 0 394.428 0.630 20 0 GCADRM CCOC(=O)c1cnn(C2CCN(S(=O)(=O)CC3(C(=O)[O-])CC3)CC2)c1 ZINC001596744852 985061951 /nfs/dbraw/zinc/06/19/51/985061951.db2.gz XQQKYSIOELQFOW-UHFFFAOYSA-N -1 0 385.442 0.891 20 0 GCADRM C[C@H]1CN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)C[C@@H](C(=O)[O-])O1 ZINC001599917012 985072131 /nfs/dbraw/zinc/07/21/31/985072131.db2.gz SELRHHSBHDOFBS-LIUNDIRUSA-N -1 0 383.422 0.656 20 0 GCADRM C[C@H]1CN(C(=O)NCCOCCCNC(=O)OC(C)(C)C)C[C@@H](C(=O)[O-])O1 ZINC001599919923 985116761 /nfs/dbraw/zinc/11/67/61/985116761.db2.gz LUULXDWOKITGQY-STQMWFEESA-N -1 0 389.449 0.801 20 0 GCADRM C[C@H]1CN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599919964 985118024 /nfs/dbraw/zinc/11/80/24/985118024.db2.gz OQZQQXGVQLZPRN-FZMZJTMJSA-N -1 0 386.426 0.352 20 0 GCADRM 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988705185 /nfs/dbraw/zinc/70/51/85/988705185.db2.gz SZXJDFGFHSUSCB-NSHDSACASA-N -1 0 392.412 0.669 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)N2CC(O)(C(=O)[O-])C2)C1 ZINC001589939888 988707886 /nfs/dbraw/zinc/70/78/86/988707886.db2.gz YGDGJMMKLOOBMS-UHFFFAOYSA-N -1 0 381.389 0.338 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001589939971 988709238 /nfs/dbraw/zinc/70/92/38/988709238.db2.gz ZHPOQYZQOWPVBF-PWSUYJOCSA-N -1 0 378.447 0.547 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001589940103 988710138 /nfs/dbraw/zinc/71/01/38/988710138.db2.gz JLAXLOLIWXBOIH-UHFFFAOYSA-N -1 0 386.430 0.874 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001589940927 988720045 /nfs/dbraw/zinc/72/00/45/988720045.db2.gz ZEOADPBEQAMHLW-FHSNZYRGSA-N -1 0 386.445 0.431 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589940930 988720235 /nfs/dbraw/zinc/72/02/35/988720235.db2.gz ZEOADPBEQAMHLW-VFVRVIDISA-N -1 0 386.445 0.431 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(CN1CCOC[C@H]1CC(=O)[O-])C2 ZINC001589941725 988724104 /nfs/dbraw/zinc/72/41/04/988724104.db2.gz LOGDCGGUZGFZLO-CYBMUJFWSA-N -1 0 383.445 0.589 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)=NO2 ZINC001589942121 988728189 /nfs/dbraw/zinc/72/81/89/988728189.db2.gz UDYIPNDFXALBGW-WPRPVWTQSA-N -1 0 389.355 0.834 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC([C@H](O)C(=O)[O-])CC1)=NO2 ZINC001589942141 988728347 /nfs/dbraw/zinc/72/83/47/988728347.db2.gz UJNFVTNKUGXSIE-ZDUSSCGKSA-N -1 0 397.428 0.436 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCOC[C@@H]1CC(=O)[O-])OC2=O ZINC001589942512 988732436 /nfs/dbraw/zinc/73/24/36/988732436.db2.gz ZUSPZSPIFYPJPS-QWHCGFSZSA-N -1 0 384.429 0.715 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NOC[C@@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001589947572 988736145 /nfs/dbraw/zinc/73/61/45/988736145.db2.gz GCSLYUVUXBAZPB-CHWSQXEVSA-N -1 0 399.444 0.918 20 0 GCADRM C[C@@H](CCNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001599835681 988738909 /nfs/dbraw/zinc/73/89/09/988738909.db2.gz MWZGOSGHGUCPOM-RWMBFGLXSA-N -1 0 385.461 0.975 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CCN1CCOCC1)C[C@@H]2C(=O)[O-] ZINC001589948306 988740390 /nfs/dbraw/zinc/74/03/90/988740390.db2.gz KYWJUZFRCVHCFI-CQSZACIVSA-N -1 0 397.472 0.489 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NC[C@@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001589948600 988741175 /nfs/dbraw/zinc/74/11/75/988741175.db2.gz OCCQAZDZIFIKSK-STQMWFEESA-N -1 0 383.445 0.986 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NC[C@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001589948597 988741503 /nfs/dbraw/zinc/74/15/03/988741503.db2.gz OCCQAZDZIFIKSK-CHWSQXEVSA-N -1 0 383.445 0.986 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCCC1=O)C[C@@H]2C(=O)[O-] ZINC001589949588 988746114 /nfs/dbraw/zinc/74/61/14/988746114.db2.gz WPERBVHHQWHDCJ-GFCCVEGCSA-N -1 0 381.429 0.389 20 0 GCADRM CCc1nc(C)ncc1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001597664081 988747237 /nfs/dbraw/zinc/74/72/37/988747237.db2.gz ZECITNKQOCQIRH-UHFFFAOYSA-N -1 0 378.410 0.963 20 0 GCADRM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001599836470 988752143 /nfs/dbraw/zinc/75/21/43/988752143.db2.gz BQAIGYJXJPXTCW-WCFLWFBJSA-N -1 0 383.445 0.585 20 0 GCADRM C[C@@H](NC(=O)CS(=O)(=O)Cc1noc(CCC(=O)[O-])n1)c1ccccc1 ZINC001599838258 988779613 /nfs/dbraw/zinc/77/96/13/988779613.db2.gz KUIIKAOZGUENEO-LLVKDONJSA-N -1 0 381.410 0.879 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001589966566 988783544 /nfs/dbraw/zinc/78/35/44/988783544.db2.gz BEAXNHNZTKTAJU-GMXVVIOVSA-N -1 0 390.408 0.914 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](C(=O)NC[C@H](O)C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001589967949 988793321 /nfs/dbraw/zinc/79/33/21/988793321.db2.gz QBKLOZWZHFTQFX-XDQVBPFNSA-N -1 0 386.445 0.743 20 0 GCADRM C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N(C)C ZINC001599839076 988794022 /nfs/dbraw/zinc/79/40/22/988794022.db2.gz OFJZZFFZPKUONQ-OCCSQVGLSA-N -1 0 379.413 0.739 20 0 GCADRM CCc1nc(NC(=O)CNS(=O)(=O)CCOC(C)C)sc1C(=O)[O-] ZINC001597680154 988804831 /nfs/dbraw/zinc/80/48/31/988804831.db2.gz HBGMXOWENCLPMK-UHFFFAOYSA-N -1 0 379.460 0.687 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001589979300 988838902 /nfs/dbraw/zinc/83/89/02/988838902.db2.gz KKOQSGBJKYUJGU-VIFPVBQESA-N -1 0 379.360 0.196 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])C1 ZINC001589979350 988841268 /nfs/dbraw/zinc/84/12/68/988841268.db2.gz LMQGSZFKHSXROX-DIFFPNOSSA-N -1 0 387.408 0.527 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)NCCc1ccccc1 ZINC001599842302 988863467 /nfs/dbraw/zinc/86/34/67/988863467.db2.gz HZUSSAONKHSDQP-GFCCVEGCSA-N -1 0 379.438 0.749 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001589984585 988873100 /nfs/dbraw/zinc/87/31/00/988873100.db2.gz GDEUKBSARLONOU-SFHVURJKSA-N -1 0 394.428 0.796 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(OCC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC1 ZINC001589984785 988876431 /nfs/dbraw/zinc/87/64/31/988876431.db2.gz IMSLLTZLWSJPRW-OLZOCXBDSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])CC1 ZINC001589984831 988876526 /nfs/dbraw/zinc/87/65/26/988876526.db2.gz JJOJKYZOTBTDHC-JSGCOSHPSA-N -1 0 386.445 0.575 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@@H](O)C1 ZINC001589985168 988880250 /nfs/dbraw/zinc/88/02/50/988880250.db2.gz MMHWHUHIMOOEIA-RYUDHWBXSA-N -1 0 392.474 0.531 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])[C@@H](O)C1 ZINC001589985698 988885652 /nfs/dbraw/zinc/88/56/52/988885652.db2.gz UGWAYSOSNQTKNZ-OLZOCXBDSA-N -1 0 394.490 0.921 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)[O-] ZINC001599843383 988889835 /nfs/dbraw/zinc/88/98/35/988889835.db2.gz DVKIGMQKODXTMJ-BFKBOQTRSA-N -1 0 399.403 0.557 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)NC[C@H](O)CC(=O)[O-])C1 ZINC001589990560 988889865 /nfs/dbraw/zinc/88/98/65/988889865.db2.gz AZGGGITUIPOCBM-WDEREUQCSA-N -1 0 382.417 0.700 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NC[C@](C)(O)C(=O)[O-])nn2)CC1 ZINC001589991753 988900119 /nfs/dbraw/zinc/90/01/19/988900119.db2.gz LGIIZQPJHNWKKR-KRWDZBQOSA-N -1 0 397.432 0.416 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)C(=O)[O-] ZINC001599843845 988900188 /nfs/dbraw/zinc/90/01/88/988900188.db2.gz PEKBLNJSLGZXDM-OQPBUACISA-N -1 0 379.394 0.594 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC001599844629 988910606 /nfs/dbraw/zinc/91/06/06/988910606.db2.gz RQDNAERZLNPQLD-GYSYKLTISA-N -1 0 388.417 0.177 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)[O-] ZINC001599844683 988911581 /nfs/dbraw/zinc/91/15/81/988911581.db2.gz UFJNTVXDMMCVOA-SNPRPXQTSA-N -1 0 384.454 0.179 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(=O)[O-] ZINC001599844799 988913614 /nfs/dbraw/zinc/91/36/14/988913614.db2.gz BJZXJAXELSWFBH-OQPBUACISA-N -1 0 385.373 0.518 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=NO2)C1 ZINC001589995742 988915985 /nfs/dbraw/zinc/91/59/85/988915985.db2.gz UNWRCAUBCJNQJF-BVRBVLIYSA-N -1 0 397.428 0.748 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)[O-] ZINC001599845068 988917927 /nfs/dbraw/zinc/91/79/27/988917927.db2.gz HWWOFPGUOOQAOK-LDWIPMOCSA-N -1 0 380.216 0.416 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)Cn3cc(C(=O)[O-])nn3)C2)C1 ZINC001590003163 988927530 /nfs/dbraw/zinc/92/75/30/988927530.db2.gz IQKSGSUJCDBPPF-KRWDZBQOSA-N -1 0 379.417 0.836 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1 ZINC001590003285 988929916 /nfs/dbraw/zinc/92/99/16/988929916.db2.gz JUXUYYZFHQIMHM-PEBVRCNWSA-N -1 0 379.417 0.495 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cccn2c(I)cnc12)C(=O)[O-] ZINC001599846373 988939010 /nfs/dbraw/zinc/93/90/10/988939010.db2.gz YGUYCGLEICSOTQ-MUWHJKNJSA-N -1 0 389.149 0.503 20 0 GCADRM CCc1nccn1[C@@H](C)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001597703691 988942662 /nfs/dbraw/zinc/94/26/62/988942662.db2.gz VSMZEYSNPSPOBP-SRVKXCTJSA-N -1 0 377.401 0.003 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N(C)Cc2nc3ccccc3s2)C[C@@H](C(=O)[O-])O1 ZINC001599847799 988963264 /nfs/dbraw/zinc/96/32/64/988963264.db2.gz FUBNQDIPUNRWCR-PWSUYJOCSA-N -1 0 377.422 0.955 20 0 GCADRM CCc1ncsc1NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597711765 988971002 /nfs/dbraw/zinc/97/10/02/988971002.db2.gz CJIYEPFPQYFUBF-VIFPVBQESA-N -1 0 378.414 0.797 20 0 GCADRM C[C@@H]1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)C[C@@H]1NC(=O)C(F)(F)F ZINC001599848493 988973764 /nfs/dbraw/zinc/97/37/64/988973764.db2.gz OQBMMDPWZSJENA-KOLCDFICSA-N -1 0 389.330 0.462 20 0 GCADRM CCc1nn(C)c(CC)c1CC(=O)NC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC001597712148 988974591 /nfs/dbraw/zinc/97/45/91/988974591.db2.gz NITJACPGHSWQGM-UHFFFAOYSA-N -1 0 385.486 0.626 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1 ZINC001590014492 988980493 /nfs/dbraw/zinc/98/04/93/988980493.db2.gz BYRFGAGBPBOMKN-SNVBAGLBSA-N -1 0 383.405 0.786 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)C1 ZINC001590014926 988983621 /nfs/dbraw/zinc/98/36/21/988983621.db2.gz IHXRLXBWGGMPQC-GFCCVEGCSA-N -1 0 392.474 0.627 20 0 GCADRM CCc1nn(C)c(CC)c1CNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001597716810 988984088 /nfs/dbraw/zinc/98/40/88/988984088.db2.gz XGLSQEIRLZRIAH-IBGZPJMESA-N -1 0 393.488 0.616 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001590015134 988985050 /nfs/dbraw/zinc/98/50/50/988985050.db2.gz JUVVNIWILXELPX-OLZOCXBDSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCOC[C@H]2CC(=O)[O-])C1 ZINC001590015795 988989282 /nfs/dbraw/zinc/98/92/82/988989282.db2.gz RAOPWIHCGCZHDK-FZKQIMNGSA-N -1 0 386.445 0.841 20 0 GCADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001597717837 988989623 /nfs/dbraw/zinc/98/96/23/988989623.db2.gz JLOGQEOEKMWOCH-UHFFFAOYSA-N -1 0 378.385 0.523 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849743 988992471 /nfs/dbraw/zinc/99/24/71/988992471.db2.gz RKZBEHHYLSUBED-MXWKQRLJSA-N -1 0 382.335 0.257 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)C1 ZINC001590016310 988994024 /nfs/dbraw/zinc/99/40/24/988994024.db2.gz XZDJLXHNIQBXFG-AGIUHOORSA-N -1 0 392.474 0.483 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N[C@H](CO)C(=O)[O-])CCC2)C1 ZINC001590016399 988994962 /nfs/dbraw/zinc/99/49/62/988994962.db2.gz YQVYAIALRBYEJT-KZULUSFZSA-N -1 0 386.445 0.480 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N[C@@H](CO)C(=O)[O-])CCC2)C1 ZINC001590016401 988995051 /nfs/dbraw/zinc/99/50/51/988995051.db2.gz YQVYAIALRBYEJT-SGTLLEGYSA-N -1 0 386.445 0.480 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849959 988995448 /nfs/dbraw/zinc/99/54/48/988995448.db2.gz IABZXWPYGAHOCH-DFBGVHRSSA-N -1 0 380.372 0.426 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849992 988996481 /nfs/dbraw/zinc/99/64/81/988996481.db2.gz IZSCQDYHIUUNHJ-UGFHNGPFSA-N -1 0 380.372 0.506 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001590017743 988996994 /nfs/dbraw/zinc/99/69/94/988996994.db2.gz CPFGIWBISFKFMD-OLZOCXBDSA-N -1 0 399.444 0.204 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=NO[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001590017755 988997330 /nfs/dbraw/zinc/99/73/30/988997330.db2.gz CWHOAFYBVCONPA-NWDGAFQWSA-N -1 0 384.433 0.960 20 0 GCADRM CCc1nn(C)c(OC)c1CNC(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC001597718960 988998055 /nfs/dbraw/zinc/99/80/55/988998055.db2.gz XKHCTVBHAXRKRY-LBPRGKRZSA-N -1 0 384.433 0.975 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599850256 989000732 /nfs/dbraw/zinc/00/07/32/989000732.db2.gz KLCANBQVZJPKGH-ZBFHGGJFSA-N -1 0 375.425 0.031 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NCCCCOc2ccc(F)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599850527 989004294 /nfs/dbraw/zinc/00/42/94/989004294.db2.gz UFORCIGPYLEQJX-DOMZBBRYSA-N -1 0 382.388 0.801 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NOCCCC(=O)[O-] ZINC001590018917 989005896 /nfs/dbraw/zinc/00/58/96/989005896.db2.gz QSPPDTINNDDYGH-LBPRGKRZSA-N -1 0 387.433 0.805 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)C[C@H]1C(=O)[O-] ZINC001599850787 989008810 /nfs/dbraw/zinc/00/88/10/989008810.db2.gz HFNVEHBOWWWWQC-RBSFLKMASA-N -1 0 382.457 0.648 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1CC(=O)[O-] ZINC001599850837 989009627 /nfs/dbraw/zinc/00/96/27/989009627.db2.gz HTCGGUIITQTWGI-IJLUTSLNSA-N -1 0 379.379 0.556 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3nccs3)CC2)C[C@H]1CC(=O)[O-] ZINC001599850854 989009919 /nfs/dbraw/zinc/00/99/19/989009919.db2.gz IIIBEMVZDKSPPF-VXGBXAGGSA-N -1 0 380.470 0.797 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590020071 989010247 /nfs/dbraw/zinc/01/02/47/989010247.db2.gz ZRJRUCNODJOLJC-GFCCVEGCSA-N -1 0 386.449 0.666 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590020072 989010275 /nfs/dbraw/zinc/01/02/75/989010275.db2.gz ZRJRUCNODJOLJC-LBPRGKRZSA-N -1 0 386.449 0.666 20 0 GCADRM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001590025622 989017603 /nfs/dbraw/zinc/01/76/03/989017603.db2.gz JWALUMNYJQEFGJ-QWHCGFSZSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CC(=O)C(C)(C)C(=O)[O-])C2=O ZINC001590026324 989026977 /nfs/dbraw/zinc/02/69/77/989026977.db2.gz VQLGDGZDFKEMDT-GOSISDBHSA-N -1 0 397.428 0.988 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2C(F)(F)F)C[C@@H](C(=O)[O-])O1 ZINC001599852458 989034598 /nfs/dbraw/zinc/03/45/98/989034598.db2.gz WJJOPBBRLSFQRK-HQJQHLMTSA-N -1 0 375.303 0.927 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc3n(n2)CCO3)[C@@H](C(=O)[O-])C1 ZINC001590034291 989044148 /nfs/dbraw/zinc/04/41/48/989044148.db2.gz CVPLJYDXARZUAZ-GFCCVEGCSA-N -1 0 380.401 0.812 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001590034636 989048604 /nfs/dbraw/zinc/04/86/04/989048604.db2.gz IDOTURNADGSVIS-UHFFFAOYSA-N -1 0 386.449 0.620 20 0 GCADRM C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)C[C@@H](C(=O)[O-])O1 ZINC001599853397 989049172 /nfs/dbraw/zinc/04/91/72/989049172.db2.gz LAIVSQYWHMFIBR-SFYZADRCSA-N -1 0 382.847 0.380 20 0 GCADRM C[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C[C@H]1CC(=O)[O-] ZINC001599853833 989056210 /nfs/dbraw/zinc/05/62/10/989056210.db2.gz PIIQLCQAVVEDJQ-CHWSQXEVSA-N -1 0 383.445 0.635 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CSCC(N)=O)[C@@H](C(=O)[O-])C1 ZINC001590035426 989058843 /nfs/dbraw/zinc/05/88/43/989058843.db2.gz SOIMPBWWTXEWNJ-SNVBAGLBSA-N -1 0 375.447 0.128 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001590041769 989068983 /nfs/dbraw/zinc/06/89/83/989068983.db2.gz ADNOJZYVDKKPFF-QFSBIZTOSA-N -1 0 379.417 0.637 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)[C@@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001590036539 989069178 /nfs/dbraw/zinc/06/91/78/989069178.db2.gz YCKWRRNCXWODKR-NEPJUHHUSA-N -1 0 378.447 0.501 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001590041861 989070437 /nfs/dbraw/zinc/07/04/37/989070437.db2.gz BIWDVQPJXWZEPE-XMZIXOGTSA-N -1 0 390.458 0.390 20 0 GCADRM CCc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CCCOC[C@@H]1CCOC1 ZINC001597734756 989070832 /nfs/dbraw/zinc/07/08/32/989070832.db2.gz GMGKSFVXQGMVDZ-RRFJBIMHSA-N -1 0 382.461 0.556 20 0 GCADRM C[C@@H]1CN(C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)C[C@@H](C(=O)[O-])O1 ZINC001599855600 989082465 /nfs/dbraw/zinc/08/24/65/989082465.db2.gz FDDMYPDGGUFYHT-ZLENFMNRSA-N -1 0 389.408 0.998 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C23CC(C(=O)[O-])(C2)C3)CC1 ZINC001590052457 989083850 /nfs/dbraw/zinc/08/38/50/989083850.db2.gz XYAARUYQOYEKHO-UHFFFAOYSA-N -1 0 381.429 0.437 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])C(=O)C1 ZINC001590053710 989085388 /nfs/dbraw/zinc/08/53/88/989085388.db2.gz AZCQRGMCDALZAG-VIFPVBQESA-N -1 0 397.350 0.588 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001597736389 989087105 /nfs/dbraw/zinc/08/71/05/989087105.db2.gz UUHOQERHYWYINV-UHFFFAOYSA-N -1 0 381.389 0.721 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(C(=O)[O-])nc2)C(=O)C1 ZINC001590054212 989087232 /nfs/dbraw/zinc/08/72/32/989087232.db2.gz GXGLUHVMXKGISM-UHFFFAOYSA-N -1 0 392.412 0.475 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001597736489 989088702 /nfs/dbraw/zinc/08/87/02/989088702.db2.gz ZMLKQCRWHMNUSO-UHFFFAOYSA-N -1 0 383.455 0.952 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(=O)C1 ZINC001590055046 989090795 /nfs/dbraw/zinc/09/07/95/989090795.db2.gz NWCBDLSNNVBVBM-CABZTGNLSA-N -1 0 391.371 0.148 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)C(=O)C1 ZINC001590055048 989091483 /nfs/dbraw/zinc/09/14/83/989091483.db2.gz NXOITFFSDLXCCL-CYBMUJFWSA-N -1 0 383.445 0.683 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(=O)C1 ZINC001590055831 989095131 /nfs/dbraw/zinc/09/51/31/989095131.db2.gz WYNWEPDVQDLFEJ-DJJJIMSYSA-N -1 0 395.456 0.779 20 0 GCADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001599856765 989100863 /nfs/dbraw/zinc/10/08/63/989100863.db2.gz OGFSWRIFRATXKH-GHMZBOCLSA-N -1 0 382.421 0.531 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001590059200 989109157 /nfs/dbraw/zinc/10/91/57/989109157.db2.gz ZLYJKJPMHZHRGA-GDNZZTSVSA-N -1 0 375.447 0.046 20 0 GCADRM C[C@@H]1CN(C(=O)NCCn2cc(C(=O)[O-])nn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001599857503 989113229 /nfs/dbraw/zinc/11/32/29/989113229.db2.gz ZFUJFMRVIAISEG-VXGBXAGGSA-N -1 0 396.448 0.779 20 0 GCADRM C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H](C(=O)[O-])O1 ZINC001599858187 989121742 /nfs/dbraw/zinc/12/17/42/989121742.db2.gz YLFOQKSNUABKKL-XUJVJEKNSA-N -1 0 376.413 0.248 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001590065957 989126388 /nfs/dbraw/zinc/12/63/88/989126388.db2.gz AQDJOQBOXRLVAT-NEPJUHHUSA-N -1 0 388.417 0.345 20 0 GCADRM CCc1noc(C[C@]2(O)CCCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)C2)n1 ZINC001597748259 989129603 /nfs/dbraw/zinc/12/96/03/989129603.db2.gz GSEKWRZAIJTDMG-VEVIJQCQSA-N -1 0 381.429 0.798 20 0 GCADRM C[C@@H]1CN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599858799 989132947 /nfs/dbraw/zinc/13/29/47/989132947.db2.gz RUQPYZVPUATHEQ-RISCZKNCSA-N -1 0 375.381 0.556 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001590066552 989133485 /nfs/dbraw/zinc/13/34/85/989133485.db2.gz JCKLHRUSHZXDTG-FRRDWIJNSA-N -1 0 387.433 0.099 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001590067338 989140622 /nfs/dbraw/zinc/14/06/22/989140622.db2.gz RXTYMWOUSVTRBO-NSHDSACASA-N -1 0 378.447 0.407 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001590067455 989140731 /nfs/dbraw/zinc/14/07/31/989140731.db2.gz SPUJZDHBDSHQDP-LLVKDONJSA-N -1 0 395.416 0.386 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)NCCSCC(=O)[O-] ZINC001590067560 989141822 /nfs/dbraw/zinc/14/18/22/989141822.db2.gz ULJPRYLVZADJSD-NSHDSACASA-N -1 0 377.463 0.739 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)CC2(CC(=O)[O-])CC2)C1 ZINC001590067528 989142450 /nfs/dbraw/zinc/14/24/50/989142450.db2.gz UFOPEUXVIHZGGK-LBPRGKRZSA-N -1 0 392.474 0.797 20 0 GCADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CNc1ncc(C(=O)[O-])cn1 ZINC001599860517 989160519 /nfs/dbraw/zinc/16/05/19/989160519.db2.gz KFNVWGUDLFCTKK-NRWUCQMLSA-N -1 0 375.429 0.583 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001590074490 989163959 /nfs/dbraw/zinc/16/39/59/989163959.db2.gz CPZCUTTVNZKFLC-IJLUTSLNSA-N -1 0 390.458 0.248 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001590075416 989177775 /nfs/dbraw/zinc/17/77/75/989177775.db2.gz UEIFOBUIKHWGOH-LLVKDONJSA-N -1 0 392.474 0.638 20 0 GCADRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599862119 989185185 /nfs/dbraw/zinc/18/51/85/989185185.db2.gz IZTTWNQOUSVHNG-JHJVBQTASA-N -1 0 383.445 0.633 20 0 GCADRM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001590091962 989214013 /nfs/dbraw/zinc/21/40/13/989214013.db2.gz BJAYAKMETFYBGF-JTQLQIEISA-N -1 0 375.447 0.394 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2cnn(CC(=O)[O-])c2)C1 ZINC001590098511 989232288 /nfs/dbraw/zinc/23/22/88/989232288.db2.gz ZXUBVWRINSOQSG-PIGZYNQJSA-N -1 0 380.401 0.790 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001590099630 989240587 /nfs/dbraw/zinc/24/05/87/989240587.db2.gz UMRKGTMSRIYEOS-PJXYFTJBSA-N -1 0 383.426 0.923 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](O)C1 ZINC001590100350 989243988 /nfs/dbraw/zinc/24/39/88/989243988.db2.gz HWEDEFSBLWIQKZ-KXNHARMFSA-N -1 0 378.447 0.139 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC001597778305 989256660 /nfs/dbraw/zinc/25/66/60/989256660.db2.gz AYCOFAVSWSQPTD-HSZRJFAPSA-N -1 0 378.472 0.225 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001590105913 989259948 /nfs/dbraw/zinc/25/99/48/989259948.db2.gz PXHVFCTYTOFFJU-GUYCJALGSA-N -1 0 380.401 0.952 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC001597779219 989266769 /nfs/dbraw/zinc/26/67/69/989266769.db2.gz 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CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001590116865 989317522 /nfs/dbraw/zinc/31/75/22/989317522.db2.gz JIKBLYOSMNDHGR-GHMZBOCLSA-N -1 0 378.447 0.438 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001590116866 989317704 /nfs/dbraw/zinc/31/77/04/989317704.db2.gz JIKBLYOSMNDHGR-MNOVXSKESA-N -1 0 378.447 0.438 20 0 GCADRM C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599869391 989325112 /nfs/dbraw/zinc/32/51/12/989325112.db2.gz JDRVQGPHAOIUAU-HZSPNIEDSA-N -1 0 377.445 0.708 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2C)C[C@H]1C(=O)[O-] ZINC001599869823 989330479 /nfs/dbraw/zinc/33/04/79/989330479.db2.gz OIHVSQQPLGSEOB-GHMZBOCLSA-N -1 0 378.458 0.932 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599870128 989336020 /nfs/dbraw/zinc/33/60/20/989336020.db2.gz XJKCJMAUPPYFPR-XBFCOCLRSA-N -1 0 376.417 0.536 20 0 GCADRM 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GCADRM CS(=O)(=O)Nc1ccccc1CN1C(=O)[C@H]2C[C@H](C(=O)[O-])CCN2C1=O ZINC001599762700 992143756 /nfs/dbraw/zinc/14/37/56/992143756.db2.gz XIVGQDUAWCAMKI-ZWNOBZJWSA-N -1 0 381.410 0.686 20 0 GCADRM CS(=O)(=O)[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])nc2)C[C@@H]1C(F)(F)F ZINC001599762772 992144474 /nfs/dbraw/zinc/14/44/74/992144474.db2.gz ODNVOOUSYMFERH-ONGXEEELSA-N -1 0 380.344 0.756 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(-c2cccc(O)c2)on1)C(=O)[O-] ZINC001599762726 992144543 /nfs/dbraw/zinc/14/45/43/992144543.db2.gz JBTKNBODDOLOSX-XJKSGUPXSA-N -1 0 380.378 0.665 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC001599763104 992148864 /nfs/dbraw/zinc/14/88/64/992148864.db2.gz RANPLYDQHQERMI-MPXOCVNLSA-N -1 0 387.376 0.881 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1cc(Br)ccc1O)C(=O)[O-] ZINC001599763159 992149850 /nfs/dbraw/zinc/14/98/50/992149850.db2.gz VAZYXVGHCNWTBU-GXFFZTMASA-N -1 0 392.227 0.772 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1c[nH]c(=O)c(Br)c1)C(=O)[O-] ZINC001599763425 992153313 /nfs/dbraw/zinc/15/33/13/992153313.db2.gz WPSFMJNZZVBKTK-QPUJVOFHSA-N -1 0 393.215 0.167 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Cc1ccccc1N1CCCC1=O)C(=O)[O-] ZINC001599763539 992154257 /nfs/dbraw/zinc/15/42/57/992154257.db2.gz ZJDUFMWAYRHXHT-KBXCAEBGSA-N -1 0 394.449 0.360 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)Nc1ccc2c(c1)COC(=O)N2)C(=O)[O-] ZINC001599763560 992155098 /nfs/dbraw/zinc/15/50/98/992155098.db2.gz ZQXMTQGEZPXYEW-XHDPSFHLSA-N -1 0 383.382 0.758 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1cccc2scnc21)C(=O)[O-] ZINC001599763660 992155713 /nfs/dbraw/zinc/15/57/13/992155713.db2.gz PFZSYCWKNLQEMV-GXFFZTMASA-N -1 0 390.464 0.463 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1cccc2c1CCCC2)C(=O)[O-] ZINC001599763680 992155992 /nfs/dbraw/zinc/15/59/92/992155992.db2.gz QUWLIENHCSWNPS-GOEBONIOSA-N -1 0 387.479 0.732 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)Cc1ccc(Cl)nc1)C(=O)[O-] ZINC001599763876 992158502 /nfs/dbraw/zinc/15/85/02/992158502.db2.gz WGGTUQFAIMKNCJ-JOYOIKCWSA-N -1 0 382.847 0.042 20 0 GCADRM CC(C)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)C1 ZINC001591259951 992165568 /nfs/dbraw/zinc/16/55/68/992165568.db2.gz QMKFNIGUUJBZCJ-FZKQIMNGSA-N -1 0 381.429 0.482 20 0 GCADRM CS(=O)(=O)[C@H]1C[C@]1(CNC(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC001599764738 992168704 /nfs/dbraw/zinc/16/87/04/992168704.db2.gz OYUUFONJBIRVMI-SUMWQHHRSA-N -1 0 380.422 0.579 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)NC2CN(c3ccncn3)C2)cc(C(=O)[O-])c1 ZINC001599764687 992168799 /nfs/dbraw/zinc/16/87/99/992168799.db2.gz DBFBGDDRSBXEHQ-UHFFFAOYSA-N -1 0 391.409 0.589 20 0 GCADRM CC(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])nn1 ZINC001591260756 992169800 /nfs/dbraw/zinc/16/98/00/992169800.db2.gz NAVCTCUWUYPXLT-SMDDNHRTSA-N -1 0 380.401 0.277 20 0 GCADRM CC(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])nn1 ZINC001591260753 992169825 /nfs/dbraw/zinc/16/98/25/992169825.db2.gz NAVCTCUWUYPXLT-BXUZGUMPSA-N -1 0 380.401 0.277 20 0 GCADRM CC(C)CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])nn1 ZINC001591260754 992169858 /nfs/dbraw/zinc/16/98/58/992169858.db2.gz NAVCTCUWUYPXLT-FZMZJTMJSA-N -1 0 380.401 0.277 20 0 GCADRM CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)NC[C@H](F)C(=O)[O-] ZINC001598482139 992170908 /nfs/dbraw/zinc/17/09/08/992170908.db2.gz DMOKCGJZZSCITN-ZDUSSCGKSA-N -1 0 376.406 0.923 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001599764976 992171898 /nfs/dbraw/zinc/17/18/98/992171898.db2.gz IQFMQLDOKKSHAJ-OLZOCXBDSA-N -1 0 386.426 0.840 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N2CCC(CO)(CO)CC2)cc(C(=O)[O-])c1 ZINC001599765257 992175301 /nfs/dbraw/zinc/17/53/01/992175301.db2.gz MZEHIIXXVCVCRO-UHFFFAOYSA-N -1 0 386.426 0.387 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc(C(=O)[O-])c1 ZINC001599765342 992176169 /nfs/dbraw/zinc/17/61/69/992176169.db2.gz PXXBTVIJSUDKCL-YGRLFVJLSA-N -1 0 395.437 0.921 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N2CCCn3nncc3C2)cc(C(=O)[O-])c1 ZINC001599765361 992176290 /nfs/dbraw/zinc/17/62/90/992176290.db2.gz QIOIJFHFRCLKGQ-UHFFFAOYSA-N -1 0 379.398 0.818 20 0 GCADRM CS(=O)(=O)c1cc(N)cc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c1 ZINC001599765470 992177631 /nfs/dbraw/zinc/17/76/31/992177631.db2.gz BQZZZBUSOYWMSM-CYBMUJFWSA-N -1 0 384.410 0.295 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc(C(=O)[O-])c1 ZINC001599765634 992179728 /nfs/dbraw/zinc/17/97/28/992179728.db2.gz UTEYTZHQOJFBDA-MRXNPFEDSA-N -1 0 384.410 0.812 20 0 GCADRM CS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001599766118 992185348 /nfs/dbraw/zinc/18/53/48/992185348.db2.gz WPOXXGSRXQBXHB-JTQLQIEISA-N -1 0 389.451 0.942 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCCOC2)cc(C(=O)[O-])c1 ZINC001599766229 992186872 /nfs/dbraw/zinc/18/68/72/992186872.db2.gz PJUZJQIERCHLRN-JTQLQIEISA-N -1 0 384.410 0.270 20 0 GCADRM CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001598484590 992187816 /nfs/dbraw/zinc/18/78/16/992187816.db2.gz CZRIWXXJEWZDMT-UHFFFAOYSA-N -1 0 381.454 0.484 20 0 GCADRM CC(C)CCn1cc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)[O-])nn1 ZINC001591274573 992196239 /nfs/dbraw/zinc/19/62/39/992196239.db2.gz RPESXBATEHMIER-YPMHNXCESA-N -1 0 383.474 0.819 20 0 GCADRM CS(=O)(=O)c1ccc(-n2nnnc2CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC001599767495 992199770 /nfs/dbraw/zinc/19/97/70/992199770.db2.gz QYNMEOFLZSLOBK-SGIREYDYSA-N -1 0 391.453 0.751 20 0 GCADRM CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(CCC(=O)[O-])C2=O)c(N)c1 ZINC001599767895 992205339 /nfs/dbraw/zinc/20/53/39/992205339.db2.gz PJRPTLVZSNATDU-CYBMUJFWSA-N -1 0 384.410 0.295 20 0 GCADRM CS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])c(N)c1 ZINC001599768025 992207226 /nfs/dbraw/zinc/20/72/26/992207226.db2.gz FSJKGTYPGYAEHK-LBPRGKRZSA-N -1 0 377.422 0.741 20 0 GCADRM CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@H](CO)C(=O)[O-])n2)cc1 ZINC001599768195 992208503 /nfs/dbraw/zinc/20/85/03/992208503.db2.gz RSPWVDYFDMQIRN-LLVKDONJSA-N -1 0 384.435 0.318 20 0 GCADRM CS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)n1 ZINC001599768932 992218609 /nfs/dbraw/zinc/21/86/09/992218609.db2.gz JUXMPFBQQGDOKL-BDAKNGLRSA-N -1 0 376.818 0.606 20 0 GCADRM CN(CCN1CC2(C1)CCOCC2)C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001598487195 992220008 /nfs/dbraw/zinc/22/00/08/992220008.db2.gz DILQJLUGVOSURM-UHFFFAOYSA-N -1 0 381.473 0.317 20 0 GCADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC001599769135 992220500 /nfs/dbraw/zinc/22/05/00/992220500.db2.gz CROADHGYBNUNDV-UHFFFAOYSA-N -1 0 377.378 0.689 20 0 GCADRM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC001599769391 992223754 /nfs/dbraw/zinc/22/37/54/992223754.db2.gz FHXBYKZXKPSARF-UHFFFAOYSA-N -1 0 384.435 0.591 20 0 GCADRM CS(=O)(=O)c1ccc([C@@H]2CN([C@H]3CCN(CCC(=O)[O-])C3=O)CCO2)cc1 ZINC001599770800 992241525 /nfs/dbraw/zinc/24/15/25/992241525.db2.gz WYXPURWSDRWVBD-HOTGVXAUSA-N -1 0 396.465 0.539 20 0 GCADRM CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001599771086 992244899 /nfs/dbraw/zinc/24/48/99/992244899.db2.gz UHBYRFKWVMCVNN-UHFFFAOYSA-N -1 0 378.362 0.979 20 0 GCADRM CS(=O)(=O)c1ccc(OCCC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001599771828 992253389 /nfs/dbraw/zinc/25/33/89/992253389.db2.gz IFHQRVUCPSNZRA-UHFFFAOYSA-N -1 0 394.409 0.232 20 0 GCADRM CC(C)CN(CC(=O)[O-])CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001591304674 992253507 /nfs/dbraw/zinc/25/35/07/992253507.db2.gz CGEUIMWRDSCYAM-HUUCEWRRSA-N -1 0 390.502 0.224 20 0 GCADRM CS(=O)(=O)c1ccc(OCCCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cc1 ZINC001599771915 992254787 /nfs/dbraw/zinc/25/47/87/992254787.db2.gz OVIOYVZVYCXKLB-MLGOLLRUSA-N -1 0 385.438 0.855 20 0 GCADRM CS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599772053 992256349 /nfs/dbraw/zinc/25/63/49/992256349.db2.gz DNTPPWNHWWYUNL-UHFFFAOYSA-N -1 0 376.456 0.221 20 0 GCADRM CS(=O)(=O)c1cccc(CS(=O)(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC001599772400 992261106 /nfs/dbraw/zinc/26/11/06/992261106.db2.gz SCOKAOGDSXXWGP-JSGCOSHPSA-N -1 0 391.467 0.247 20 0 GCADRM CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])c1 ZINC001599772443 992262034 /nfs/dbraw/zinc/26/20/34/992262034.db2.gz UUIXGRIVMFTIDJ-GFCCVEGCSA-N -1 0 379.481 0.422 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2C=O)cn1 ZINC001599772638 992263589 /nfs/dbraw/zinc/26/35/89/992263589.db2.gz GJKNVRGHIASBRP-UHFFFAOYSA-N -1 0 385.375 0.764 20 0 GCADRM CS(=O)(=O)c1cccc(NC(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)c1 ZINC001599772725 992264780 /nfs/dbraw/zinc/26/47/80/992264780.db2.gz FAGAQQJVJWHCTA-SMDDNHRTSA-N -1 0 390.439 0.100 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001599772813 992265942 /nfs/dbraw/zinc/26/59/42/992265942.db2.gz LYQLPUMPUFISLC-LBPRGKRZSA-N -1 0 390.464 0.521 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CCCC2)cn1 ZINC001599773171 992269931 /nfs/dbraw/zinc/26/99/31/992269931.db2.gz YIBVLZXCZVDPQQ-GFCCVEGCSA-N -1 0 376.456 0.797 20 0 GCADRM CS(=O)(=O)c1ccccc1NC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599773352 992272494 /nfs/dbraw/zinc/27/24/94/992272494.db2.gz HHNHYRABXUHEMV-SMDDNHRTSA-N -1 0 390.439 0.100 20 0 GCADRM CS(=O)(=O)c1nc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c2ccccn21 ZINC001599773550 992274239 /nfs/dbraw/zinc/27/42/39/992274239.db2.gz HUWLISDMKKBSFG-NEPJUHHUSA-N -1 0 395.437 0.738 20 0 GCADRM CS(=O)(=O)c1ccccc1CNS(=O)(=O)c1csnc1C(=O)[O-] ZINC001599773597 992274848 /nfs/dbraw/zinc/27/48/48/992274848.db2.gz PDMKMGPHXAZKGX-UHFFFAOYSA-N -1 0 376.437 0.723 20 0 GCADRM CN(CCNC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1ccc(F)cc1 ZINC001598490383 992280554 /nfs/dbraw/zinc/28/05/54/992280554.db2.gz GKKAGWVEIFADOI-BJHJDKERSA-N -1 0 387.433 0.951 20 0 GCADRM C[S@](=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001599774627 992286651 /nfs/dbraw/zinc/28/66/51/992286651.db2.gz 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/nfs/dbraw/zinc/06/50/71/996065071.db2.gz NZYLJZAXWVIYHX-MISXGVKJSA-N -1 0 376.365 0.275 20 0 GCADRM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001598790574 996068909 /nfs/dbraw/zinc/06/89/09/996068909.db2.gz LGRVRAYCVOUDRL-OCCSQVGLSA-N -1 0 378.381 0.855 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)[C@@H]1C ZINC001598791074 996073595 /nfs/dbraw/zinc/07/35/95/996073595.db2.gz VDXMUBLKMCQSJJ-PSASIEDQSA-N -1 0 383.788 0.459 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@H](C(=O)[O-])C1 ZINC001598791518 996077446 /nfs/dbraw/zinc/07/74/46/996077446.db2.gz IOKDLKLTXRPGHL-FZMZJTMJSA-N -1 0 388.376 0.538 20 0 GCADRM C[C@H](Sc1ccccc1C(=O)NCCOCCS(N)(=O)=O)C(=O)[O-] ZINC001593672612 996077705 /nfs/dbraw/zinc/07/77/05/996077705.db2.gz IKSYRGJXIJXVIY-JTQLQIEISA-N -1 0 376.456 0.287 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)[C@@H](C(=O)[O-])C1 ZINC001598792226 996083347 /nfs/dbraw/zinc/08/33/47/996083347.db2.gz MDHLFPGHGAWUOB-GXTWGEPZSA-N -1 0 389.412 0.539 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)[C@H](C(=O)[O-])C1 ZINC001598792237 996083572 /nfs/dbraw/zinc/08/35/72/996083572.db2.gz MDHLFPGHGAWUOB-OCCSQVGLSA-N -1 0 389.412 0.539 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)COCCNC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC001598792343 996083859 /nfs/dbraw/zinc/08/38/59/996083859.db2.gz AJTLZPFTFPELDA-NWDGAFQWSA-N -1 0 388.417 0.393 20 0 GCADRM C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593679448 996100381 /nfs/dbraw/zinc/10/03/81/996100381.db2.gz KERFAOVCTVLXOZ-CMPLNLGQSA-N -1 0 384.458 0.967 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)[C@H](C(=O)[O-])C1 ZINC001598794910 996103193 /nfs/dbraw/zinc/10/31/93/996103193.db2.gz MHTJPPHSLTVJOH-OCCSQVGLSA-N -1 0 388.376 0.818 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)[C@H](C(=O)[O-])C1 ZINC001598794909 996103208 /nfs/dbraw/zinc/10/32/08/996103208.db2.gz MHTJPPHSLTVJOH-JSGCOSHPSA-N -1 0 388.376 0.818 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)[C@H](C(=O)[O-])C1 ZINC001598795381 996106581 /nfs/dbraw/zinc/10/65/81/996106581.db2.gz XXXIGTYLKSKWGY-RYUDHWBXSA-N -1 0 381.381 0.817 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)[C@@H](C(=O)[O-])C1 ZINC001598795401 996106742 /nfs/dbraw/zinc/10/67/42/996106742.db2.gz YJBAYCSPAVKKQZ-MWLCHTKSSA-N -1 0 390.314 0.732 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)[C@H](C(=O)[O-])C1 ZINC001598796445 996112087 /nfs/dbraw/zinc/11/20/87/996112087.db2.gz URBJIOVHLKFQLU-DOMZBBRYSA-N -1 0 389.408 0.796 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)[C@@H](C(=O)[O-])C1 ZINC001598796449 996112173 /nfs/dbraw/zinc/11/21/73/996112173.db2.gz URBJIOVHLKFQLU-IUODEOHRSA-N -1 0 389.408 0.796 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)[C@@H](C(=O)[O-])C1 ZINC001598796685 996113518 /nfs/dbraw/zinc/11/35/18/996113518.db2.gz AZNIDZFVOJPKSY-BXUZGUMPSA-N -1 0 394.405 0.555 20 0 GCADRM C[C@@H](Sc1nnc(N2CCOCC2)n1CC(F)(F)F)C(=O)NCC(=O)[O-] ZINC001593685279 996113764 /nfs/dbraw/zinc/11/37/64/996113764.db2.gz PNQHJUIPIJCZFF-MRVPVSSYSA-N -1 0 397.379 0.358 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)CCOCC2CCCC2)[C@@H](C(=O)[O-])C1 ZINC001598797576 996118162 /nfs/dbraw/zinc/11/81/62/996118162.db2.gz DXRGOTFAXUEWLY-UONOGXRCSA-N -1 0 377.459 0.861 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2c3c(nn2C)CCCC3)[C@@H](C(=O)[O-])C1 ZINC001598797603 996118730 /nfs/dbraw/zinc/11/87/30/996118730.db2.gz FQEKBEHDNTYWON-GXFFZTMASA-N -1 0 385.442 0.326 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001598798117 996121529 /nfs/dbraw/zinc/12/15/29/996121529.db2.gz GSONPQNPXOGDIS-HZPDHXFCSA-N -1 0 396.465 0.916 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)[C@@H](C(=O)[O-])C1 ZINC001598798193 996122232 /nfs/dbraw/zinc/12/22/32/996122232.db2.gz HPLZIFJLASHRKX-TZMCWYRMSA-N -1 0 398.437 0.980 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](C(=O)[O-])C1 ZINC001598799028 996126745 /nfs/dbraw/zinc/12/67/45/996126745.db2.gz LMYGMSCAXOUWOW-BXKDBHETSA-N -1 0 398.393 0.044 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)[C@H](C(=O)OC)C1 ZINC001598799633 996130076 /nfs/dbraw/zinc/13/00/76/996130076.db2.gz OOOOUWKCWCMKKI-AAEUAGOBSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001598799639 996130114 /nfs/dbraw/zinc/13/01/14/996130114.db2.gz OOOOUWKCWCMKKI-WCQYABFASA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)[C@@H](C(=O)[O-])C1 ZINC001598800282 996133909 /nfs/dbraw/zinc/13/39/09/996133909.db2.gz SOKUWTVVHJFXOB-PSASIEDQSA-N -1 0 385.423 0.718 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)[C@H](C(=O)[O-])C1 ZINC001598800889 996137061 /nfs/dbraw/zinc/13/70/61/996137061.db2.gz ANPZPMKEKCJGAD-RDBSUJKOSA-N -1 0 377.459 0.860 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)[C@H]1C ZINC001598801573 996142770 /nfs/dbraw/zinc/14/27/70/996142770.db2.gz ZSCOLNPRWIMMQA-VHSXEESVSA-N -1 0 387.410 0.974 20 0 GCADRM COC(=O)[C@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC001598801870 996145647 /nfs/dbraw/zinc/14/56/47/996145647.db2.gz VMSXHGIOSPEFJM-WFASDCNBSA-N -1 0 385.438 0.807 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC001598801964 996146128 /nfs/dbraw/zinc/14/61/28/996146128.db2.gz ASNKVNMOODQXAL-RISCZKNCSA-N -1 0 378.381 0.289 20 0 GCADRM COC(=O)[C@H]1CCN2C(=O)N(CCOc3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC001598802586 996152874 /nfs/dbraw/zinc/15/28/74/996152874.db2.gz FMVDPXPFNNWLNY-GXTWGEPZSA-N -1 0 376.365 0.979 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2Cc3cc(F)c(F)cc3C2)C[C@@H]1C(=O)[O-] ZINC001598802835 996155452 /nfs/dbraw/zinc/15/54/52/996155452.db2.gz GJAYDYNBZOSKNP-QWRGUYRKSA-N -1 0 382.319 0.139 20 0 GCADRM COC(=O)[C@@H]1CCc2sc(NC(=O)NCCC(=O)NCCC(=O)[O-])nc2C1 ZINC001598802812 996155492 /nfs/dbraw/zinc/15/54/92/996155492.db2.gz GFAYGPACZKGFEI-SECBINFHSA-N -1 0 398.441 0.524 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@@H](C(=O)[O-])C1 ZINC001598803056 996158316 /nfs/dbraw/zinc/15/83/16/996158316.db2.gz JOKZJSRTESCDRD-GXSJLCMTSA-N -1 0 376.456 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001598803123 996158404 /nfs/dbraw/zinc/15/84/04/996158404.db2.gz IVGSCRFLLUOGKW-ZLKJLUDKSA-N -1 0 380.372 0.677 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Cc3ccsc3)C2)C[C@@H]1C(=O)[O-] ZINC001598803252 996159337 /nfs/dbraw/zinc/15/93/37/996159337.db2.gz JWSOBRIAPJCXPP-STQMWFEESA-N -1 0 380.422 0.081 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCc3sccc3C2)C[C@@H]1C(=O)[O-] ZINC001598803837 996165035 /nfs/dbraw/zinc/16/50/35/996165035.db2.gz PWDAILSBXFOHOK-NWDGAFQWSA-N -1 0 380.422 0.355 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCc3sccc3C2)C[C@H]1C(=O)[O-] ZINC001598803839 996165049 /nfs/dbraw/zinc/16/50/49/996165049.db2.gz PWDAILSBXFOHOK-VXGBXAGGSA-N -1 0 380.422 0.355 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCSC[C@@H]2C2CC2)C[C@H]1C(=O)[O-] ZINC001598804254 996169184 /nfs/dbraw/zinc/16/91/84/996169184.db2.gz UQGRWJNLRLPUAN-JHJVBQTASA-N -1 0 384.454 0.063 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598804518 996171869 /nfs/dbraw/zinc/17/18/69/996171869.db2.gz AXNHNAZFKZZURP-RWMBFGLXSA-N -1 0 381.406 0.280 20 0 GCADRM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593700249 996175463 /nfs/dbraw/zinc/17/54/63/996175463.db2.gz ZYCZCSIJVDHVNQ-NSHDSACASA-N -1 0 395.441 0.782 20 0 GCADRM C[C@@H](c1cccc(NC(=O)C(=O)NCCOCC(=O)[O-])c1)N1CCOCC1 ZINC001593703762 996181444 /nfs/dbraw/zinc/18/14/44/996181444.db2.gz UPYQMVOXCNGGCG-ZDUSSCGKSA-N -1 0 379.413 0.236 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@@H]1C(=O)[O-] ZINC001598805925 996186783 /nfs/dbraw/zinc/18/67/83/996186783.db2.gz FVNBDJPSYLQLLV-LSDHHAIUSA-N -1 0 395.481 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598805965 996186863 /nfs/dbraw/zinc/18/68/63/996186863.db2.gz GCVPHSMVYVORSP-ARFHVFGLSA-N -1 0 375.425 0.768 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCc2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598806087 996188051 /nfs/dbraw/zinc/18/80/51/996188051.db2.gz BJUHINWNWPEQAM-KGLIPLIRSA-N -1 0 392.408 0.906 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)[C@H](C(=O)OC)C1 ZINC001598806326 996190142 /nfs/dbraw/zinc/19/01/42/996190142.db2.gz ZUGIFXIGWBYGOV-MVKMKZAISA-N -1 0 391.442 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598806484 996191497 /nfs/dbraw/zinc/19/14/97/996191497.db2.gz GHRNSCUKKRWWRW-UPJWGTAASA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2cnc3c(Cl)cnn3c2)C[C@@H]1C(=O)[O-] ZINC001598806437 996191710 /nfs/dbraw/zinc/19/17/10/996191710.db2.gz CVCYQWYBGHKJLS-QWRGUYRKSA-N -1 0 395.803 0.440 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@H]1C(=O)OC ZINC001598806599 996192899 /nfs/dbraw/zinc/19/28/99/996192899.db2.gz HJGSAFDSXBWCGY-FCLCXHLNSA-N -1 0 398.412 0.002 20 0 GCADRM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593706582 996197428 /nfs/dbraw/zinc/19/74/28/996197428.db2.gz REAZSSWLVUBGPR-ZDUSSCGKSA-N -1 0 388.428 0.837 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])Cc2ccccc21 ZINC001598807381 996199737 /nfs/dbraw/zinc/19/97/37/996199737.db2.gz ITGVMNUOUSNRRV-AWEZNQCLSA-N -1 0 377.397 0.449 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@H]1C(=O)[O-] ZINC001598807512 996201009 /nfs/dbraw/zinc/20/10/09/996201009.db2.gz BDDQRGRDJRNGFC-JLDUMIBSSA-N -1 0 399.469 0.044 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)C[C@@H]1C(=O)[O-] ZINC001598808032 996205592 /nfs/dbraw/zinc/20/55/92/996205592.db2.gz KLFJAJHRDKJCGY-NPDYYCNZSA-N -1 0 384.429 0.474 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)C[C@@H]1C(=O)[O-] ZINC001598808030 996205670 /nfs/dbraw/zinc/20/56/70/996205670.db2.gz KLFJAJHRDKJCGY-DQLCERAXSA-N -1 0 384.429 0.474 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808162 996206381 /nfs/dbraw/zinc/20/63/81/996206381.db2.gz OIFYMFRCVQOSFA-FMKPAKJESA-N -1 0 398.419 0.931 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2COc3cc(OC)ccc3C2)C[C@H]1C(=O)[O-] ZINC001598808668 996211420 /nfs/dbraw/zinc/21/14/20/996211420.db2.gz ODGSXRYTWUYLLU-MRVWCRGKSA-N -1 0 378.381 0.514 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@H]1C(=O)[O-] ZINC001598808917 996213254 /nfs/dbraw/zinc/21/32/54/996213254.db2.gz GKRKKZWIEQHXOL-KFWWJZLASA-N -1 0 390.392 0.902 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c2ccccc2O1 ZINC001598808999 996213659 /nfs/dbraw/zinc/21/36/59/996213659.db2.gz GMTJFCFKZGFPIE-SMDDNHRTSA-N -1 0 376.365 0.277 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C[C@@H]1C(=O)[O-] ZINC001598809094 996214967 /nfs/dbraw/zinc/21/49/67/996214967.db2.gz QQRBDQAYAGZTOF-SOUVJXGZSA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598809078 996214972 /nfs/dbraw/zinc/21/49/72/996214972.db2.gz PHOSKSNMHJSNID-BFHYXJOUSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598809266 996215989 /nfs/dbraw/zinc/21/59/89/996215989.db2.gz HIGXUHQOJZOSDT-DLBZAZTESA-N -1 0 398.415 0.831 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2ccc(CCC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809243 996216090 /nfs/dbraw/zinc/21/60/90/996216090.db2.gz HCAJLJJARKTRBF-HZPDHXFCSA-N -1 0 377.393 0.919 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC001598809262 996216189 /nfs/dbraw/zinc/21/61/89/996216189.db2.gz HCDKHBLBQNPUJB-WDEREUQCSA-N -1 0 396.783 0.398 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C(=O)[O-] ZINC001598809342 996216533 /nfs/dbraw/zinc/21/65/33/996216533.db2.gz PVZXXCDCQJWGBS-GARJFASQSA-N -1 0 381.351 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)C[C@H]1C(=O)[O-] ZINC001598809486 996218124 /nfs/dbraw/zinc/21/81/24/996218124.db2.gz SFLXGIGHHOLPIQ-CHWSQXEVSA-N -1 0 399.440 0.847 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598809597 996218920 /nfs/dbraw/zinc/21/89/20/996218920.db2.gz SPQQCBODPCBOHE-QWHCGFSZSA-N -1 0 382.413 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C[C@H]1C(=O)[O-] ZINC001598809636 996219667 /nfs/dbraw/zinc/21/96/67/996219667.db2.gz QUOITOMGNNJOEW-ZJUUUORDSA-N -1 0 389.330 0.723 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598810172 996224066 /nfs/dbraw/zinc/22/40/66/996224066.db2.gz VHVBXXFXARFHDD-HRCADAONSA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C[C@@H]1C(=O)[O-] ZINC001598810135 996224081 /nfs/dbraw/zinc/22/40/81/996224081.db2.gz RYZZDJMZGXXCCA-QWHCGFSZSA-N -1 0 388.380 0.794 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C[C@@H]1C(=O)[O-] ZINC001598810687 996229256 /nfs/dbraw/zinc/22/92/56/996229256.db2.gz XBRMDLCUSJLTOF-SOUVJXGZSA-N -1 0 389.408 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc3NC2=O)C[C@@H]1C(=O)[O-] ZINC001598811164 996232752 /nfs/dbraw/zinc/23/27/52/996232752.db2.gz XFBKCKPMWMEQEV-OUCADQQQSA-N -1 0 375.381 0.455 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCc3ccccc3NC2=O)C[C@@H]1C(=O)[O-] ZINC001598811166 996232883 /nfs/dbraw/zinc/23/28/83/996232883.db2.gz XFBKCKPMWMEQEV-SCRDCRAPSA-N -1 0 375.381 0.455 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)C[C@@H]1C(=O)[O-] ZINC001598811227 996233325 /nfs/dbraw/zinc/23/33/25/996233325.db2.gz ACHNRNPOEHEEJP-STQMWFEESA-N -1 0 390.396 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C[C@H]1C(=O)[O-] ZINC001598811627 996236798 /nfs/dbraw/zinc/23/67/98/996236798.db2.gz YIKNSGSJDDWIEJ-QJPTWQEYSA-N -1 0 396.831 0.829 20 0 GCADRM C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001593718111 996238638 /nfs/dbraw/zinc/23/86/38/996238638.db2.gz XRQLTPLHORRFGA-FZMZJTMJSA-N -1 0 389.387 0.984 20 0 GCADRM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001593718112 996238995 /nfs/dbraw/zinc/23/89/95/996238995.db2.gz XRQLTPLHORRFGA-RISCZKNCSA-N -1 0 389.387 0.984 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598812418 996242781 /nfs/dbraw/zinc/24/27/81/996242781.db2.gz PIWDFQFYTAVFGE-KGLIPLIRSA-N -1 0 383.422 0.355 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598812663 996244782 /nfs/dbraw/zinc/24/47/82/996244782.db2.gz DAJULTOWJCLMQN-KIJLLGNVSA-N -1 0 382.413 0.574 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598812773 996245903 /nfs/dbraw/zinc/24/59/03/996245903.db2.gz DTOHZLLQQBXCPQ-VXGBXAGGSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C(=O)[O-] ZINC001598813261 996249015 /nfs/dbraw/zinc/24/90/15/996249015.db2.gz UHQRCARVWXXTLD-HUUCEWRRSA-N -1 0 386.408 0.759 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C(=O)[O-] ZINC001598813237 996249234 /nfs/dbraw/zinc/24/92/34/996249234.db2.gz UHQRCARVWXXTLD-CABCVRRESA-N -1 0 386.408 0.759 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598814095 996255432 /nfs/dbraw/zinc/25/54/32/996255432.db2.gz HWRNWLGUAXKILA-NDBYEHHHSA-N -1 0 399.444 0.900 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598814246 996256282 /nfs/dbraw/zinc/25/62/82/996256282.db2.gz BQGOYRSVXDZWHZ-MNOVXSKESA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(C)nn2Cc2ccccn2)C[C@H]1C(=O)[O-] ZINC001598814566 996258954 /nfs/dbraw/zinc/25/89/54/996258954.db2.gz IYGMPDRYHYFJOH-KGLIPLIRSA-N -1 0 387.396 0.972 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)nn2Cc2ccccn2)C[C@H]1C(=O)[O-] ZINC001598814575 996259043 /nfs/dbraw/zinc/25/90/43/996259043.db2.gz IYGMPDRYHYFJOH-ZIAGYGMSSA-N -1 0 387.396 0.972 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)C[C@@H]1C(=O)[O-] ZINC001598815170 996264551 /nfs/dbraw/zinc/26/45/51/996264551.db2.gz KYQQKOUFIGOOPP-QWRGUYRKSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C(=O)[O-] ZINC001598815325 996265653 /nfs/dbraw/zinc/26/56/53/996265653.db2.gz OYKHOEPYGUMZME-KGLIPLIRSA-N -1 0 375.381 0.916 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C[C@H]1C(=O)[O-] ZINC001598815518 996267670 /nfs/dbraw/zinc/26/76/70/996267670.db2.gz NFASXRLUWJAAJP-OLZOCXBDSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C[C@@H]1C(=O)[O-] ZINC001598816096 996272105 /nfs/dbraw/zinc/27/21/05/996272105.db2.gz AORHWWUTPWATQY-UONOGXRCSA-N -1 0 390.371 0.720 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C[C@H]1C(=O)[O-] ZINC001598816208 996272685 /nfs/dbraw/zinc/27/26/85/996272685.db2.gz QFHLFLZPSRUQSW-ZIAGYGMSSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cnc(Br)cn2)C[C@@H]1C(=O)[O-] ZINC001598816751 996278594 /nfs/dbraw/zinc/27/85/94/996278594.db2.gz RMHUSPFWLBXFDV-IUCAKERBSA-N -1 0 387.190 0.254 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C(=O)OC ZINC001598817115 996282672 /nfs/dbraw/zinc/28/26/72/996282672.db2.gz MJNWRSPUKWJKQC-ZIAGYGMSSA-N -1 0 393.392 0.801 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C[C@H]1C(=O)[O-] ZINC001598817675 996288666 /nfs/dbraw/zinc/28/86/66/996288666.db2.gz WGSRVJYPBVWLQT-KBXIAJHMSA-N -1 0 377.397 0.817 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598817906 996290716 /nfs/dbraw/zinc/29/07/16/996290716.db2.gz WTLDRQLWJBQXOD-OUAUKWLOSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccnc2OCC(F)F)C[C@@H]1C(=O)[O-] ZINC001598817941 996291991 /nfs/dbraw/zinc/29/19/91/996291991.db2.gz WXKXMIYKGAXXDE-QWRGUYRKSA-N -1 0 387.339 0.741 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598818493 996297129 /nfs/dbraw/zinc/29/71/29/996297129.db2.gz QVDMKVYCDLXKKG-KGLIPLIRSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598818489 996297302 /nfs/dbraw/zinc/29/73/02/996297302.db2.gz QVDMKVYCDLXKKG-KBPBESRZSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2OC)C[C@H]1C(=O)[O-] ZINC001598819091 996304163 /nfs/dbraw/zinc/30/41/63/996304163.db2.gz ZMIQICJPKYIXDQ-NEPJUHHUSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@@H]1C(=O)[O-] ZINC001598820238 996317451 /nfs/dbraw/zinc/31/74/51/996317451.db2.gz SMUIXPONRZCBPC-JGVFFNPUSA-N -1 0 386.202 0.538 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598820357 996318922 /nfs/dbraw/zinc/31/89/22/996318922.db2.gz WOSFKUPQEQYAGK-QWRGUYRKSA-N -1 0 389.813 0.689 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]c(C(C)(C)CO)nc3c2)C[C@H]1C(=O)[O-] ZINC001598820802 996324310 /nfs/dbraw/zinc/32/43/10/996324310.db2.gz IEFVUIIPJVKFHE-VXGBXAGGSA-N -1 0 389.408 0.779 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001593736484 996325955 /nfs/dbraw/zinc/32/59/55/996325955.db2.gz AOQHIQHOXQIWNR-JHJVBQTASA-N -1 0 380.470 0.527 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001598821482 996332902 /nfs/dbraw/zinc/33/29/02/996332902.db2.gz KAKYDFGNCRISQE-SFYZADRCSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598821718 996335212 /nfs/dbraw/zinc/33/52/12/996335212.db2.gz LTNOJJHMYGQGOK-GJZGRUSLSA-N -1 0 395.433 0.959 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C[C@@H]1C(=O)OC ZINC001598824527 996366998 /nfs/dbraw/zinc/36/69/98/996366998.db2.gz HECVAYOWQYNGFX-RYUDHWBXSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CSCCN1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001598824791 996370245 /nfs/dbraw/zinc/37/02/45/996370245.db2.gz KIZBNOCQXUGLAW-LSDHHAIUSA-N -1 0 378.450 0.615 20 0 GCADRM COC(=O)[C@@H]1CSCCN1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001598824787 996370500 /nfs/dbraw/zinc/37/05/00/996370500.db2.gz KIZBNOCQXUGLAW-GJZGRUSLSA-N -1 0 378.450 0.615 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C[C@H]1C(=O)[O-] ZINC001598824935 996372146 /nfs/dbraw/zinc/37/21/46/996372146.db2.gz IXVLQTDSSIEHCQ-CHWSQXEVSA-N -1 0 384.410 0.448 20 0 GCADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001598825155 996374406 /nfs/dbraw/zinc/37/44/06/996374406.db2.gz MCKSUVBKHKEWNM-LLVKDONJSA-N -1 0 377.802 0.909 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598825230 996374907 /nfs/dbraw/zinc/37/49/07/996374907.db2.gz MYRKVGQURSCSBK-LBPRGKRZSA-N -1 0 377.415 0.732 20 0 GCADRM C[C@]1(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])CCNC1=O ZINC001593749208 996386055 /nfs/dbraw/zinc/38/60/55/996386055.db2.gz JWRBFNJVIUIJDB-NHYWBVRUSA-N -1 0 385.214 0.924 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C)n2CC2CC2)C[C@H]1C(=O)[O-] ZINC001598826270 996386355 /nfs/dbraw/zinc/38/63/55/996386355.db2.gz HTTUSLAMWWKJEG-IGHBBLSQSA-N -1 0 378.429 0.891 20 0 GCADRM C[C@]1(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCS1(=O)=O ZINC001593749320 996387257 /nfs/dbraw/zinc/38/72/57/996387257.db2.gz 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HLDSSBNVPPEZIT-AFCVYNCWSA-N -1 0 387.396 0.906 20 0 GCADRM COC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001599169496 998591517 /nfs/dbraw/zinc/59/15/17/998591517.db2.gz YPSYLJLAKNZEDP-VXGBXAGGSA-N -1 0 387.433 0.108 20 0 GCADRM COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c(OC)c1OC ZINC001599479994 998593195 /nfs/dbraw/zinc/59/31/95/998593195.db2.gz LYSJDWRIPWMHKF-JTQLQIEISA-N -1 0 387.410 0.426 20 0 GCADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC001594160219 998596859 /nfs/dbraw/zinc/59/68/59/998596859.db2.gz ZYOGVRRECZWOSS-SMDDNHRTSA-N -1 0 382.438 0.484 20 0 GCADRM COc1ccc(C(=O)N2CCN(C(=O)NC[C@H](F)C(=O)[O-])CC2)c(OC)c1 ZINC001599480345 998597633 /nfs/dbraw/zinc/59/76/33/998597633.db2.gz UONKMWAOAAJFQE-ZDUSSCGKSA-N -1 0 383.376 0.594 20 0 GCADRM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001599480413 998597727 /nfs/dbraw/zinc/59/77/27/998597727.db2.gz YUZTXQPIHXTIRM-CABCVRRESA-N -1 0 378.381 0.738 20 0 GCADRM COC[C@@H](NC(=O)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@H]1CCCO1 ZINC001599170522 998604651 /nfs/dbraw/zinc/60/46/51/998604651.db2.gz XSPKGAZIJDVNRR-HZPDHXFCSA-N -1 0 376.409 0.580 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001598977084 998612008 /nfs/dbraw/zinc/61/20/08/998612008.db2.gz ZKOUZDYBFDWBFY-PSASIEDQSA-N -1 0 377.802 0.583 20 0 GCADRM COC(=O)c1ccc(N2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)s1 ZINC001598977567 998618644 /nfs/dbraw/zinc/61/86/44/998618644.db2.gz JEBJQQIJVSMZRC-JTQLQIEISA-N -1 0 376.456 0.707 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC001598977663 998619412 /nfs/dbraw/zinc/61/94/12/998619412.db2.gz NTPIYSYZSNLLNS-AWEZNQCLSA-N -1 0 378.381 0.993 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CCO)cc1C(=O)[O-] ZINC001598977877 998622403 /nfs/dbraw/zinc/62/24/03/998622403.db2.gz YWTODKHDFAMXBW-HZMBPMFUSA-N -1 0 378.381 0.777 20 0 GCADRM COC(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1C(=O)OC 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/nfs/dbraw/zinc/67/24/38/998672438.db2.gz XRCHIYNKHCILBV-USXUVBGUSA-N -1 0 378.347 0.735 20 0 GCADRM C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CCN1C ZINC001594176009 998676387 /nfs/dbraw/zinc/67/63/87/998676387.db2.gz CZXRFESMSLXSFT-VWYCJHECSA-N -1 0 380.470 0.822 20 0 GCADRM C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001594176534 998679086 /nfs/dbraw/zinc/67/90/86/998679086.db2.gz HXBGXLGRBKZDRE-IJLUTSLNSA-N -1 0 376.413 0.972 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OC)cc1C(=O)[O-] ZINC001598986060 998697142 /nfs/dbraw/zinc/69/71/42/998697142.db2.gz BCNPFTNOWCADFW-CYBMUJFWSA-N -1 0 385.394 0.888 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC(CO)(OC)CC2)cc1C(=O)[O-] ZINC001598986189 998698317 /nfs/dbraw/zinc/69/83/17/998698317.db2.gz GLLKNMBKHPAIHP-UHFFFAOYSA-N -1 0 387.410 0.333 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1F ZINC001598986216 998698429 /nfs/dbraw/zinc/69/84/29/998698429.db2.gz HLJRSKKQBVJXEB-LLVKDONJSA-N -1 0 388.417 0.782 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1 ZINC001598986348 998699503 /nfs/dbraw/zinc/69/95/03/998699503.db2.gz MMYGAGPYBDCSIP-LBPRGKRZSA-N -1 0 394.409 0.707 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)OC)C2)cc1C(=O)[O-] ZINC001598986457 998699988 /nfs/dbraw/zinc/69/99/88/998699988.db2.gz NSLWIJNCIJSBHM-OAHLLOKOSA-N -1 0 389.357 0.447 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1C(=O)[O-] ZINC001598986614 998701456 /nfs/dbraw/zinc/70/14/56/998701456.db2.gz QFPBQPHJXGYTLH-IINYFYTJSA-N -1 0 396.421 0.461 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1C(=O)OC ZINC001598986718 998701875 /nfs/dbraw/zinc/70/18/75/998701875.db2.gz VBVVXKZIHYNPEU-GXSJLCMTSA-N -1 0 385.394 0.744 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCSC[C@@H]2CCO)cc1C(=O)[O-] ZINC001598986683 998702041 /nfs/dbraw/zinc/70/20/41/998702041.db2.gz SLEBRTBPPWYUNS-JTQLQIEISA-N -1 0 389.451 0.660 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)c(OC)c1 ZINC001598986771 998702619 /nfs/dbraw/zinc/70/26/19/998702619.db2.gz HZWFJJFIYMVLAD-UHFFFAOYSA-N -1 0 387.410 0.736 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)cc1C(=O)[O-] ZINC001598986938 998703861 /nfs/dbraw/zinc/70/38/61/998703861.db2.gz YQQCNHIGQLNIBU-IINYFYTJSA-N -1 0 396.421 0.461 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(OC)OC)c(F)c1 ZINC001598987008 998704379 /nfs/dbraw/zinc/70/43/79/998704379.db2.gz MQVIQUDIHQXRMH-UHFFFAOYSA-N -1 0 393.389 0.697 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(C)C2CCN(OC)CC2)cc1C(=O)[O-] ZINC001598987042 998704653 /nfs/dbraw/zinc/70/46/53/998704653.db2.gz ONODLPNXBKOSSN-UHFFFAOYSA-N -1 0 386.426 0.818 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(C)CCc2cnccn2)cc1C(=O)[O-] ZINC001598987171 998705698 /nfs/dbraw/zinc/70/56/98/998705698.db2.gz VFWWSWGSZFLVJC-UHFFFAOYSA-N -1 0 379.394 0.825 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cc1 ZINC001598987255 998706197 /nfs/dbraw/zinc/70/61/97/998706197.db2.gz ZOSLVTGQGVPREQ-DGCLKSJQSA-N -1 0 385.394 0.500 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC001598987360 998706848 /nfs/dbraw/zinc/70/68/48/998706848.db2.gz BMWQHHAQXNLQHP-UHFFFAOYSA-N -1 0 386.426 0.755 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCN(C(C)=O)C2)cc1C(=O)[O-] ZINC001598987707 998709664 /nfs/dbraw/zinc/70/96/64/998709664.db2.gz GLSJQXPBHBZDAG-GFCCVEGCSA-N -1 0 398.437 0.708 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2cnn(C)c2)cc1C(=O)[O-] ZINC001598988152 998713443 /nfs/dbraw/zinc/71/34/43/998713443.db2.gz KQSJRNNDYGSYJY-SNVBAGLBSA-N -1 0 381.410 0.814 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCF)C(=O)OC)cc1C(=O)[O-] ZINC001598988277 998713875 /nfs/dbraw/zinc/71/38/75/998713875.db2.gz NCABDQBIDQFMLL-NSHDSACASA-N -1 0 377.346 0.351 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1OC ZINC001598988227 998713943 /nfs/dbraw/zinc/71/39/43/998713943.db2.gz KZNJEGOQGFMFJI-GXFFZTMASA-N -1 0 387.410 0.497 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1F ZINC001598988307 998714494 /nfs/dbraw/zinc/71/44/94/998714494.db2.gz NRXBYNNUXYXGNT-ZANVPECISA-N -1 0 375.374 0.913 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC2CCN(C(C)=O)CC2)cc1C(=O)[O-] ZINC001598988387 998715196 /nfs/dbraw/zinc/71/51/96/998715196.db2.gz NOZOCJMJXYRFFP-UHFFFAOYSA-N -1 0 384.410 0.461 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCSC2)c(OC)c1 ZINC001598988472 998715686 /nfs/dbraw/zinc/71/56/86/998715686.db2.gz NVQHMGDSEYNOHZ-AWEZNQCLSA-N -1 0 375.424 0.720 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1F ZINC001598988570 998716717 /nfs/dbraw/zinc/71/67/17/998716717.db2.gz PUPZCYCHFOIZJJ-HNNXBMFYSA-N -1 0 375.374 0.915 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(CC(F)F)C2)cc1C(=O)[O-] ZINC001598988875 998718853 /nfs/dbraw/zinc/71/88/53/998718853.db2.gz SLIPOTCZOXSCIF-VIFPVBQESA-N -1 0 392.380 0.789 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001598989089 998720393 /nfs/dbraw/zinc/72/03/93/998720393.db2.gz UGAPBWANKHWBLZ-PWSUYJOCSA-N -1 0 375.374 0.913 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1C(=O)[O-] ZINC001598989203 998721055 /nfs/dbraw/zinc/72/10/55/998721055.db2.gz XBBPATVLTVSOFD-APPDUMDISA-N -1 0 399.421 0.788 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)cc1C(=O)[O-] ZINC001598989218 998721121 /nfs/dbraw/zinc/72/11/21/998721121.db2.gz XINYBEUNKNMABT-JTQLQIEISA-N -1 0 391.423 0.027 20 0 GCADRM COC(=O)c1ccc2c(c1)nc(CN1CC[C@H](n3cc(C(=O)[O-])nn3)C1)[nH]c2=O ZINC001598989837 998726542 /nfs/dbraw/zinc/72/65/42/998726542.db2.gz NJSICLAPZRTLPA-NSHDSACASA-N -1 0 398.379 0.859 20 0 GCADRM COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C(=O)N2 ZINC001598989875 998727156 /nfs/dbraw/zinc/72/71/56/998727156.db2.gz OBYDWCPKYIDMNC-MCIONIFRSA-N -1 0 376.365 0.475 20 0 GCADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)CC(=O)N1Cc1ccccc1 ZINC001594190008 998737156 /nfs/dbraw/zinc/73/71/56/998737156.db2.gz DUYBZTFBCPXBNB-DMRZNYOFSA-N -1 0 375.425 0.653 20 0 GCADRM COC(=O)c1ccc2c(c1)CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C2 ZINC001598990989 998737227 /nfs/dbraw/zinc/73/72/27/998737227.db2.gz ALUIRPXXNOYVFO-QWRGUYRKSA-N -1 0 377.397 0.519 20 0 GCADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC(=O)N1Cc1ccccc1 ZINC001594190010 998737399 /nfs/dbraw/zinc/73/73/99/998737399.db2.gz DUYBZTFBCPXBNB-DTZQCDIJSA-N -1 0 375.425 0.653 20 0 GCADRM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001594195666 998759033 /nfs/dbraw/zinc/75/90/33/998759033.db2.gz AVTISSZJKFRAGY-HAVMIZHYSA-N -1 0 388.342 0.951 20 0 GCADRM COC(=O)c1cccc(CS(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)c1 ZINC001598994338 998765544 /nfs/dbraw/zinc/76/55/44/998765544.db2.gz PNYRLHHASILOBR-STQMWFEESA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)c1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)n1 ZINC001598998766 998804499 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JWRWJSPDTYGZRO-KNQLMXMPSA-N -1 0 381.429 0.482 20 0 GCADRM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@@](O)(C(=O)[O-])C1)C2=O ZINC001594215281 998829148 /nfs/dbraw/zinc/82/91/48/998829148.db2.gz ROYCEAMAKISUQL-AFBMGJRZSA-N -1 0 381.429 0.171 20 0 GCADRM COC(=O)c1ccccc1S(=O)(=O)N(CCC(=O)[O-])CC(OC)OC ZINC001599003199 998836308 /nfs/dbraw/zinc/83/63/08/998836308.db2.gz YSLTZTWYSBWVCX-UHFFFAOYSA-N -1 0 375.399 0.558 20 0 GCADRM COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001599003523 998839318 /nfs/dbraw/zinc/83/93/18/998839318.db2.gz URGOHJOOBXSZIB-KRWDZBQOSA-N -1 0 377.353 0.587 20 0 GCADRM COC(=O)c1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)OC ZINC001599003666 998840857 /nfs/dbraw/zinc/84/08/57/998840857.db2.gz XTFNUEKRMXQCNE-BXUZGUMPSA-N -1 0 378.381 0.750 20 0 GCADRM COC(=O)c1ccnc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001599004263 998844938 /nfs/dbraw/zinc/84/49/38/998844938.db2.gz GFTYNOXFCKLPNN-ZDUSSCGKSA-N -1 0 382.369 0.982 20 0 GCADRM COC(=O)c1cccn(CC(=O)NCCc2ccc(C(=O)[O-])cc2OC)c1=O ZINC001599004809 998847586 /nfs/dbraw/zinc/84/75/86/998847586.db2.gz OMVNVWRLDKPKHN-UHFFFAOYSA-N -1 0 388.376 0.701 20 0 GCADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-])C2=O ZINC001594220710 998848636 /nfs/dbraw/zinc/84/86/36/998848636.db2.gz DSSYDPRXVXRBEG-GMXVVIOVSA-N -1 0 391.428 0.268 20 0 GCADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-])C2=O ZINC001594220755 998849673 /nfs/dbraw/zinc/84/96/73/998849673.db2.gz FSKSNBSAPYIVFH-SNOGYCHESA-N -1 0 381.429 0.170 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])C2=O ZINC001594220822 998850210 /nfs/dbraw/zinc/85/02/10/998850210.db2.gz GTJFXEQUFNFRHK-UPJWGTAASA-N -1 0 381.429 0.435 20 0 GCADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(C(=O)[O-])nn1)C2=O ZINC001594220842 998850280 /nfs/dbraw/zinc/85/02/80/998850280.db2.gz HPUPRDPOOHMHCB-PCCFMPIBSA-N -1 0 375.385 0.860 20 0 GCADRM COC(=O)c1cn(C2CN(C(=O)Nc3ccc(C(=O)[O-])c(OC)c3)C2)nn1 ZINC001599005626 998851391 /nfs/dbraw/zinc/85/13/91/998851391.db2.gz CMWBVZSBTMPSOT-UHFFFAOYSA-N -1 0 375.341 0.860 20 0 GCADRM COC(=O)c1cn(C2CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3F)C2)nn1 ZINC001599005587 998851643 /nfs/dbraw/zinc/85/16/43/998851643.db2.gz BGWPQSLKUKHJSS-UHFFFAOYSA-N -1 0 384.345 0.148 20 0 GCADRM COC(=O)c1cn(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c2ccccc12 ZINC001599005746 998852612 /nfs/dbraw/zinc/85/26/12/998852612.db2.gz DVMCKGZUUBGJTA-CQSZACIVSA-N -1 0 394.405 0.138 20 0 GCADRM COC(=O)c1cn([C@H]2CCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)nn1 ZINC001599006204 998856731 /nfs/dbraw/zinc/85/67/31/998856731.db2.gz MWHADEMRFWVIHL-STQMWFEESA-N -1 0 381.433 0.317 20 0 GCADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CN1CC(n3cc(C(=O)[O-])nn3)C1)C2=O ZINC001594222581 998857182 /nfs/dbraw/zinc/85/71/82/998857182.db2.gz YKEYWGDMUDIGQJ-QWRGUYRKSA-N -1 0 376.417 0.537 20 0 GCADRM COC(=O)c1cn(C2CN(C(=O)Nc3nc(CCC(=O)[O-])cs3)C2)nn1 ZINC001599006568 998859915 /nfs/dbraw/zinc/85/99/15/998859915.db2.gz SKAFVKOOROINDZ-UHFFFAOYSA-N -1 0 380.386 0.627 20 0 GCADRM COC(=O)c1cn(C2CN(S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])C2)nn1 ZINC001599006685 998860992 /nfs/dbraw/zinc/86/09/92/998860992.db2.gz VSEIIXIHCUXYGN-UHFFFAOYSA-N -1 0 384.370 0.218 20 0 GCADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc2)C1 ZINC001594232161 998882677 /nfs/dbraw/zinc/88/26/77/998882677.db2.gz YRFGYTLEOBAFQW-IOASZLSFSA-N -1 0 398.481 0.919 20 0 GCADRM C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001594233619 998890537 /nfs/dbraw/zinc/89/05/37/998890537.db2.gz XWDXSUKFRDCQNE-FRRDWIJNSA-N -1 0 379.417 0.071 20 0 GCADRM COC(=O)c1cncc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001599010839 998896895 /nfs/dbraw/zinc/89/68/95/998896895.db2.gz IKTUAINCVXEETM-LBPRGKRZSA-N -1 0 382.316 0.896 20 0 GCADRM COC(=O)c1n[nH]c2c1CN(S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)CC2 ZINC001599014724 998928573 /nfs/dbraw/zinc/92/85/73/998928573.db2.gz 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COc1ccccc1S([O-])=CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000268657106 530230848 /nfs/dbraw/zinc/23/08/48/530230848.db2.gz RFNNIZHYFXMRNY-DEOSSOPVSA-N -1 0 390.527 0.979 20 0 GCADRM COc1ccccc1S([O-])=CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000268657110 530230968 /nfs/dbraw/zinc/23/09/68/530230968.db2.gz RFNNIZHYFXMRNY-XMMPIXPASA-N -1 0 390.527 0.979 20 0 GCADRM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cn1C ZINC000268655378 530231040 /nfs/dbraw/zinc/23/10/40/530231040.db2.gz VPFHAIYFUUKKEY-UHFFFAOYSA-N -1 0 383.451 0.515 20 0 GCADRM CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000518461702 530231778 /nfs/dbraw/zinc/23/17/78/530231778.db2.gz WMAVHGSAJCQDSO-CYBMUJFWSA-N -1 0 376.456 0.613 20 0 GCADRM O=C(NCCNS(=O)(=O)Cc1ccon1)c1cc(F)c(F)c([O-])c1F ZINC000569410904 530233845 /nfs/dbraw/zinc/23/38/45/530233845.db2.gz NHBHZECXZQPOTN-UHFFFAOYSA-N -1 0 379.316 0.647 20 0 GCADRM CON(C)S(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000268967692 530234135 /nfs/dbraw/zinc/23/41/35/530234135.db2.gz DMUYTXGSJHDFPG-LBPRGKRZSA-N -1 0 388.467 0.901 20 0 GCADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c1 ZINC000268987878 530234596 /nfs/dbraw/zinc/23/45/96/530234596.db2.gz QMNMANUATVLZBZ-GFCCVEGCSA-N -1 0 388.467 0.901 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](Cc1ccc(C)c(C)c1)C(=O)[O-] ZINC000572698020 530234869 /nfs/dbraw/zinc/23/48/69/530234869.db2.gz QUNSEICMBYVLOP-CQSZACIVSA-N -1 0 392.499 0.158 20 0 GCADRM CC(C)[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC000269093784 530235288 /nfs/dbraw/zinc/23/52/88/530235288.db2.gz XYAQXBJYLWCTGF-VIFPVBQESA-N -1 0 386.206 0.118 20 0 GCADRM Cc1oc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C(=O)[O-] ZINC000569453151 530235365 /nfs/dbraw/zinc/23/53/65/530235365.db2.gz SJQMOUODKHYJSD-WDEREUQCSA-N -1 0 380.444 0.425 20 0 GCADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000269088401 530235400 /nfs/dbraw/zinc/23/54/00/530235400.db2.gz OMLOAIOXVFZVGH-JTQLQIEISA-N -1 0 390.845 0.906 20 0 GCADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CC(O)(C(F)F)C1 ZINC000425005419 530235602 /nfs/dbraw/zinc/23/56/02/530235602.db2.gz AXJHNTOPJRQHCR-UHFFFAOYSA-N -1 0 376.381 0.629 20 0 GCADRM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269136428 530235773 /nfs/dbraw/zinc/23/57/73/530235773.db2.gz DKZYDSKTUCYDGC-JTQLQIEISA-N -1 0 390.845 0.811 20 0 GCADRM COc1cc(C(=O)N[C@@H](C)[C@@H](CO)SC)cc([N-]S(C)(=O)=O)c1OC ZINC000269164804 530235953 /nfs/dbraw/zinc/23/59/53/530235953.db2.gz PRZKWXWTUNKGJN-TVQRCGJNSA-N -1 0 392.499 0.918 20 0 GCADRM COCCOCCS(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(=O)OC ZINC000269182291 530236494 /nfs/dbraw/zinc/23/64/94/530236494.db2.gz YATQIIFBWHQFQU-UHFFFAOYSA-N -1 0 377.415 0.895 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)F ZINC000569502318 530237175 /nfs/dbraw/zinc/23/71/75/530237175.db2.gz JWFRWWKEQQGJFP-QMMMGPOBSA-N -1 0 376.378 0.186 20 0 GCADRM NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000518661791 530237615 /nfs/dbraw/zinc/23/76/15/530237615.db2.gz WYBLTSIVTGRGOT-UHFFFAOYSA-N -1 0 389.842 0.887 20 0 GCADRM COCCn1ccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)n1 ZINC000269306401 530237672 /nfs/dbraw/zinc/23/76/72/530237672.db2.gz ANGLEORYPBHMKY-UHFFFAOYSA-N -1 0 392.434 0.841 20 0 GCADRM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1 ZINC000410361582 530237728 /nfs/dbraw/zinc/23/77/28/530237728.db2.gz SLTWXMDXODUNGK-UHFFFAOYSA-N -1 0 389.842 0.887 20 0 GCADRM O=c1[n-]c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n[nH]1 ZINC000092616881 530238321 /nfs/dbraw/zinc/23/83/21/530238321.db2.gz MEVALLFWQSQGQS-UHFFFAOYSA-N -1 0 392.268 0.911 20 0 GCADRM CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269331115 530238466 /nfs/dbraw/zinc/23/84/66/530238466.db2.gz MPKFFPFFYOZZGN-UHFFFAOYSA-N -1 0 382.435 0.817 20 0 GCADRM CS[C@@H]1CCCCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000269349029 530239093 /nfs/dbraw/zinc/23/90/93/530239093.db2.gz JIKCFHXDGYDWJF-SNVBAGLBSA-N -1 0 384.483 0.940 20 0 GCADRM COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269363714 530239619 /nfs/dbraw/zinc/23/96/19/530239619.db2.gz QEIJIVKAJTWLCV-LBPRGKRZSA-N -1 0 380.419 0.523 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cnc1C ZINC000427126444 530240563 /nfs/dbraw/zinc/24/05/63/530240563.db2.gz OMBIMFGLNOYNBP-UHFFFAOYSA-N -1 0 385.423 0.625 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])ccc1OC ZINC000600656756 530240819 /nfs/dbraw/zinc/24/08/19/530240819.db2.gz LLGJESZQDQHSBB-JTQLQIEISA-N -1 0 379.337 0.965 20 0 GCADRM CCS(=O)(=O)c1ccc(C(=O)[O-])c(NS(=O)(=O)C[C@H](C)C(=O)OC)c1 ZINC000269433133 530240833 /nfs/dbraw/zinc/24/08/33/530240833.db2.gz QENLBHTWZHXBKP-VIFPVBQESA-N -1 0 393.439 0.729 20 0 GCADRM COC(=O)c1cc(F)cc(S(=O)(=O)NC2(C(=O)[O-])CCOCC2)c1F ZINC000600654513 530241191 /nfs/dbraw/zinc/24/11/91/530241191.db2.gz YCBCAJIJKJIDBE-UHFFFAOYSA-N -1 0 379.337 0.664 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)n1 ZINC000600668562 530241721 /nfs/dbraw/zinc/24/17/21/530241721.db2.gz MTAXDKOPWWHECD-UHFFFAOYSA-N -1 0 382.324 0.394 20 0 GCADRM CCCC[C@@H](NC(=O)NCC)C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000269505684 530241815 /nfs/dbraw/zinc/24/18/15/530241815.db2.gz ZZJZUDBAYGRYNH-MRVPVSSYSA-N -1 0 378.480 0.726 20 0 GCADRM Cc1cc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)sc1C(=O)[O-] ZINC000400143686 530242740 /nfs/dbraw/zinc/24/27/40/530242740.db2.gz AKXLDPRZOSUHLX-VIFPVBQESA-N -1 0 382.485 0.457 20 0 GCADRM CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000427248499 530243559 /nfs/dbraw/zinc/24/35/59/530243559.db2.gz GMIZOQSXASHIFA-NSHDSACASA-N -1 0 377.440 0.205 20 0 GCADRM CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000647232960 530247013 /nfs/dbraw/zinc/24/70/13/530247013.db2.gz KQDGGTMDWIGBIK-IUODEOHRSA-N -1 0 376.406 0.080 20 0 GCADRM CC[C@H](CCO)NS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)CC ZINC000536426937 530249729 /nfs/dbraw/zinc/24/97/29/530249729.db2.gz NTXCZUJBDDSWCV-LLVKDONJSA-N -1 0 380.488 0.896 20 0 GCADRM Cn1ccc(N2CCC[C@H](NC(=O)CSc3n[n-]c(=S)s3)C2=O)n1 ZINC000267051676 530207910 /nfs/dbraw/zinc/20/79/10/530207910.db2.gz GEVQPVZAKUIWRR-QMMMGPOBSA-N -1 0 384.512 0.964 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000558472973 530209951 /nfs/dbraw/zinc/20/99/51/530209951.db2.gz HVCGFBGTNFDOOM-JTQLQIEISA-N -1 0 380.216 0.885 20 0 GCADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](COC)C(=O)[O-])cc1 ZINC000558474070 530210089 /nfs/dbraw/zinc/21/00/89/530210089.db2.gz JKGIPSHQPQEPLR-ZDUSSCGKSA-N -1 0 394.471 0.095 20 0 GCADRM CN(C)C(=O)CN1CCC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000068945354 530210315 /nfs/dbraw/zinc/21/03/15/530210315.db2.gz VETLOTWNADKUHZ-UHFFFAOYSA-N -1 0 379.404 0.935 20 0 GCADRM CNC(=O)Cn1cc([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)cn1 ZINC000267277151 530210828 /nfs/dbraw/zinc/21/08/28/530210828.db2.gz GGKPBDQWSXHROG-UHFFFAOYSA-N -1 0 388.427 0.287 20 0 GCADRM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)s1 ZINC000267365006 530211776 /nfs/dbraw/zinc/21/17/76/530211776.db2.gz SMIGSZBPPABMAK-UHFFFAOYSA-N -1 0 388.427 0.416 20 0 GCADRM NC(=O)c1cc(Br)cc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC000650413575 530212103 /nfs/dbraw/zinc/21/21/03/530212103.db2.gz IDSJQPYBPAXEEB-VIFPVBQESA-N -1 0 395.256 0.696 20 0 GCADRM Cn1nncc1S(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccc(F)cc1F ZINC000650415335 530212188 /nfs/dbraw/zinc/21/21/88/530212188.db2.gz GBLIEIZJIRXBLT-PWSUYJOCSA-N -1 0 390.393 0.983 20 0 GCADRM Cn1nncc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(F)cc1F ZINC000650415334 530212224 /nfs/dbraw/zinc/21/22/24/530212224.db2.gz GBLIEIZJIRXBLT-JQWIXIFHSA-N -1 0 390.393 0.983 20 0 GCADRM CN([C@H](C(=O)[O-])c1ccccc1OC(F)F)S(=O)(=O)c1cnnn1C ZINC000650418421 530212371 /nfs/dbraw/zinc/21/23/71/530212371.db2.gz IXJKKLJRZDWOOC-NSHDSACASA-N -1 0 376.341 0.863 20 0 GCADRM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000650426183 530212384 /nfs/dbraw/zinc/21/23/84/530212384.db2.gz CUHWIIKEJLKENF-SNVBAGLBSA-N -1 0 376.456 0.469 20 0 GCADRM Cn1nncc1S(=O)(=O)N[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000650418339 530212562 /nfs/dbraw/zinc/21/25/62/530212562.db2.gz XHMKZDAYXMARKZ-SNVBAGLBSA-N -1 0 389.231 0.552 20 0 GCADRM C[C@@H]1CN(C(=O)CSCc2cc(=O)n3ccsc3n2)C[C@@H](C(=O)[O-])O1 ZINC000262273141 530212709 /nfs/dbraw/zinc/21/27/09/530212709.db2.gz WUXWUSRVTSROQM-KOLCDFICSA-N -1 0 383.451 0.690 20 0 GCADRM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])c1 ZINC000558692604 530213709 /nfs/dbraw/zinc/21/37/09/530213709.db2.gz PUHTUAAKXUQQMU-CYBMUJFWSA-N -1 0 394.471 0.095 20 0 GCADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 ZINC000267563458 530213907 /nfs/dbraw/zinc/21/39/07/530213907.db2.gz QTBPZJRISHTQAD-GFCCVEGCSA-N -1 0 387.487 0.896 20 0 GCADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCS(=O)(=O)C2)c1 ZINC000267563469 530213998 /nfs/dbraw/zinc/21/39/98/530213998.db2.gz QTBPZJRISHTQAD-LBPRGKRZSA-N -1 0 387.487 0.896 20 0 GCADRM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cn1 ZINC000624556895 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383.426 0.172 20 0 GCADRM O=C([O-])Nc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000833291571 601374026 /nfs/dbraw/zinc/37/40/26/601374026.db2.gz MCRWEILHUGRYHE-CYBMUJFWSA-N -1 0 376.413 0.896 20 0 GCADRM COC(=O)c1nn(CN2CCO[C@H](CC(=O)[O-])C2)c(C)c1Br ZINC000831469978 601374868 /nfs/dbraw/zinc/37/48/68/601374868.db2.gz AQYMJIKSKXRLGJ-SECBINFHSA-N -1 0 376.207 0.874 20 0 GCADRM CCOc1ccccc1N1C(=O)C(=O)N(CN2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000830109991 601375471 /nfs/dbraw/zinc/37/54/71/601375471.db2.gz VTINYFPPAVTKGO-GFCCVEGCSA-N -1 0 391.380 0.514 20 0 GCADRM COc1ccc(CCN2C(=O)C(=O)N(CN(CC(=O)[O-])C3CC3)C2=O)cc1 ZINC000832299395 601377316 /nfs/dbraw/zinc/37/73/16/601377316.db2.gz CTYXJCXFLJOLEC-UHFFFAOYSA-N -1 0 375.381 0.535 20 0 GCADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000831028865 601378912 /nfs/dbraw/zinc/37/89/12/601378912.db2.gz BOCPHKMQSGQPJH-SNVBAGLBSA-N -1 0 396.874 0.741 20 0 GCADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000831024689 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602222390 /nfs/dbraw/zinc/22/23/90/602222390.db2.gz TYUAABXZEGDDBM-QMMMGPOBSA-N -1 0 382.485 0.866 20 0 GCADRM C[C@@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828438789 602222849 /nfs/dbraw/zinc/22/28/49/602222849.db2.gz FPFHDXZRHZYWEJ-PSASIEDQSA-N -1 0 375.834 0.578 20 0 GCADRM CS(=O)(=O)NCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000832694143 602222952 /nfs/dbraw/zinc/22/29/52/602222952.db2.gz AECMAAAWNNPNPE-UHFFFAOYSA-N -1 0 381.410 0.974 20 0 GCADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCC[C@H](C)[S@](C)=O)c1 ZINC000831242665 602228448 /nfs/dbraw/zinc/22/84/48/602228448.db2.gz NOGVIDJLZVHRDV-KLVQOETNSA-N -1 0 377.440 0.607 20 0 GCADRM CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-])cc1 ZINC000830140337 602230265 /nfs/dbraw/zinc/23/02/65/602230265.db2.gz MNNKRVMCADGMDN-CQSZACIVSA-N -1 0 393.483 0.979 20 0 GCADRM CC(=O)NCCc1ccc(S(=O)(=O)N(C)[C@H](COC(C)C)C(=O)[O-])s1 ZINC000825876164 602230886 /nfs/dbraw/zinc/23/08/86/602230886.db2.gz RIKLPMGFHPZSAH-CYBMUJFWSA-N -1 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/nfs/dbraw/zinc/49/47/17/604494717.db2.gz KMMZNWXLIBCBTR-AWEZNQCLSA-N -1 0 392.437 0.701 20 0 GCADRM C[C@@H](CNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)S(C)(=O)=O ZINC000833517023 604495339 /nfs/dbraw/zinc/49/53/39/604495339.db2.gz DVSSZCKWTFJEAC-QMMMGPOBSA-N -1 0 388.467 0.813 20 0 GCADRM C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)S(C)(=O)=O ZINC000833517137 604495555 /nfs/dbraw/zinc/49/55/55/604495555.db2.gz HUIYYXAHPIGVLK-ZETCQYMHSA-N -1 0 394.352 0.474 20 0 GCADRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000833532982 604500006 /nfs/dbraw/zinc/50/00/06/604500006.db2.gz VAHACVIDSDMOCS-WCQYABFASA-N -1 0 383.422 0.505 20 0 GCADRM CC(C)C[C@H](NC(=O)COC(=O)c1cc(S(C)(=O)=O)cs1)C(=O)[O-] ZINC000833481338 604501583 /nfs/dbraw/zinc/50/15/83/604501583.db2.gz MECJHILNLJGBSI-JTQLQIEISA-N -1 0 377.440 0.924 20 0 GCADRM CN1CCN(C(=O)[C@H]2CCc3ccccc3N2Cn2cnc(C(=O)[O-])n2)CC1 ZINC000833698191 604502677 /nfs/dbraw/zinc/50/26/77/604502677.db2.gz ZZLREFNUPYQJPA-MRXNPFEDSA-N -1 0 384.440 0.529 20 0 GCADRM CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833698066 604503055 /nfs/dbraw/zinc/50/30/55/604503055.db2.gz XWFBKSSHDNGYMR-KRWDZBQOSA-N -1 0 384.440 0.529 20 0 GCADRM Cc1cc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C)s1 ZINC000832903282 604504485 /nfs/dbraw/zinc/50/44/85/604504485.db2.gz BRFYGWFEVCBMGT-MRVPVSSYSA-N -1 0 384.501 0.283 20 0 GCADRM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000832695189 604505015 /nfs/dbraw/zinc/50/50/15/604505015.db2.gz NFFPRHJPDIFENT-VIFPVBQESA-N -1 0 389.455 0.173 20 0 GCADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])oc3C)CCO2)n1 ZINC000517366217 604507580 /nfs/dbraw/zinc/50/75/80/604507580.db2.gz XVESIRFKLCTYCV-GFCCVEGCSA-N -1 0 384.414 0.584 20 0 GCADRM CS(=O)(=O)N1CCN(CCNC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000832688074 604507739 /nfs/dbraw/zinc/50/77/39/604507739.db2.gz XDADWENSSPVCAJ-UHFFFAOYSA-N -1 0 376.460 0.145 20 0 GCADRM CC(=O)N1CCN([C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])oc3C)C[C@H]2C)CC1 ZINC000833391147 604508745 /nfs/dbraw/zinc/50/87/45/604508745.db2.gz OELYVXJKOOQKOW-RISCZKNCSA-N -1 0 399.469 0.459 20 0 GCADRM Cc1nc(S(=O)(=O)N2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cn1C ZINC000833003894 604510876 /nfs/dbraw/zinc/51/08/76/604510876.db2.gz XLRPMNOQCXUKOA-INIZCTEOSA-N -1 0 396.444 1.000 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N(C)CC2CCOCC2)cc1C(=O)[O-] ZINC000833715505 604512156 /nfs/dbraw/zinc/51/21/56/604512156.db2.gz ALVNHXXYZIQOMM-UHFFFAOYSA-N -1 0 378.381 0.995 20 0 GCADRM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC000831144756 604516026 /nfs/dbraw/zinc/51/60/26/604516026.db2.gz SGODJKFUUYQQHB-MRVPVSSYSA-N -1 0 391.423 0.949 20 0 GCADRM COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000831753827 604520501 /nfs/dbraw/zinc/52/05/01/604520501.db2.gz YSIBSKODCRPYGI-CQSZACIVSA-N -1 0 399.469 0.760 20 0 GCADRM C[C@@H](Oc1ccc(CN2CCN(C(=O)CN3CCOCC3)CC2)cc1)C(=O)[O-] ZINC000833539026 604525454 /nfs/dbraw/zinc/52/54/54/604525454.db2.gz FYCLECXRQOEOAQ-MRXNPFEDSA-N -1 0 391.468 0.515 20 0 GCADRM O=C([O-])c1ccc(OC[C@H](O)Cn2c(=O)c(F)cn([C@H]3CCCO3)c2=O)cc1 ZINC000833781700 604530271 /nfs/dbraw/zinc/53/02/71/604530271.db2.gz HFSAAHNELSMNNR-IUODEOHRSA-N -1 0 394.355 0.596 20 0 GCADRM O=C([O-])C[C@@H]1CCCN1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000833212422 604531119 /nfs/dbraw/zinc/53/11/19/604531119.db2.gz YRZYMDAFFBHFCK-JTQLQIEISA-N -1 0 387.380 0.949 20 0 GCADRM COC(=O)c1csc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000831466791 604547286 /nfs/dbraw/zinc/54/72/86/604547286.db2.gz GNMPVLMIVPAFLY-SNVBAGLBSA-N -1 0 383.426 0.481 20 0 GCADRM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000826001813 604547869 /nfs/dbraw/zinc/54/78/69/604547869.db2.gz ZTDXMEPKTRVLRI-SNVBAGLBSA-N -1 0 394.453 0.196 20 0 GCADRM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000826001812 604547985 /nfs/dbraw/zinc/54/79/85/604547985.db2.gz ZTDXMEPKTRVLRI-JTQLQIEISA-N -1 0 394.453 0.196 20 0 GCADRM O=C([O-])C[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000455861491 604559911 /nfs/dbraw/zinc/55/99/11/604559911.db2.gz CARYKNGUOMGZSN-ACJLOTCBSA-N -1 0 385.420 0.928 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000827609119 604560937 /nfs/dbraw/zinc/56/09/37/604560937.db2.gz FKXNHETXAQAKDD-XJKSGUPXSA-N -1 0 393.440 0.704 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000827616539 604562375 /nfs/dbraw/zinc/56/23/75/604562375.db2.gz UDQVXDCECGISGN-IUODEOHRSA-N -1 0 395.481 0.778 20 0 GCADRM CS(=O)(=O)CCN1CCC(NC(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC000833738283 604562733 /nfs/dbraw/zinc/56/27/33/604562733.db2.gz UVQZZJWDOHGWJZ-UHFFFAOYSA-N -1 0 397.497 0.736 20 0 GCADRM COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000832265244 604563388 /nfs/dbraw/zinc/56/33/88/604563388.db2.gz MDBKDGXBBYAILU-ORAYPTAESA-N -1 0 389.408 0.928 20 0 GCADRM COc1cc(OC)cc([C@H](OC(=O)CN2CCS(=O)(=O)CC2)C(=O)[O-])c1 ZINC000832073098 604563720 /nfs/dbraw/zinc/56/37/20/604563720.db2.gz GOWSVSALYPVBDD-HNNXBMFYSA-N -1 0 387.410 0.103 20 0 GCADRM O=C([O-])N1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000831484788 604565429 /nfs/dbraw/zinc/56/54/29/604565429.db2.gz KXRDWIFGAJHUPX-UHFFFAOYSA-N -1 0 389.391 0.913 20 0 GCADRM CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NC1CN(C(=O)[O-])C1 ZINC000824382980 604569026 /nfs/dbraw/zinc/56/90/26/604569026.db2.gz WEXOMSWNHHGRGN-UHFFFAOYSA-N -1 0 384.458 0.676 20 0 GCADRM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)NC2CCN(C(=O)[O-])CC2)C1 ZINC000825823160 604576086 /nfs/dbraw/zinc/57/60/86/604576086.db2.gz OASLYNXSJQRIDQ-CQSZACIVSA-N -1 0 394.432 0.653 20 0 GCADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833001468 604593342 /nfs/dbraw/zinc/59/33/42/604593342.db2.gz GNLYDTDGWZFYHH-CYBMUJFWSA-N -1 0 378.429 0.726 20 0 GCADRM COC(=O)N1CC(NC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000831198232 604595174 /nfs/dbraw/zinc/59/51/74/604595174.db2.gz BSWOFKTUZZLTIV-SNVBAGLBSA-N -1 0 382.398 0.301 20 0 GCADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC000833502912 604598597 /nfs/dbraw/zinc/59/85/97/604598597.db2.gz XQGNASMEFCHNNL-UHFFFAOYSA-N -1 0 390.440 0.306 20 0 GCADRM COCCN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1=O ZINC000833725043 604599896 /nfs/dbraw/zinc/59/98/96/604599896.db2.gz YGOFHGPKDUVQST-UHFFFAOYSA-N -1 0 383.788 0.294 20 0 GCADRM COc1cc(C(=O)N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)ccc1C ZINC000829080920 604604360 /nfs/dbraw/zinc/60/43/60/604604360.db2.gz MJPUABNRHXAQDA-UHFFFAOYSA-N -1 0 376.413 0.833 20 0 GCADRM O=C([O-])N1CC(NC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)C1 ZINC000831847619 604606167 /nfs/dbraw/zinc/60/61/67/604606167.db2.gz VHFZUNMUJWNTTI-UHFFFAOYSA-N -1 0 386.412 0.525 20 0 GCADRM CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)NC1CN(C(=O)[O-])C1 ZINC000828305233 604611119 /nfs/dbraw/zinc/61/11/19/604611119.db2.gz GLHJTVQCUFGJNN-UHFFFAOYSA-N -1 0 385.442 0.863 20 0 GCADRM CCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000827603972 604611378 /nfs/dbraw/zinc/61/13/78/604611378.db2.gz BPCZITUUFJEISJ-UHFFFAOYSA-N -1 0 389.456 0.877 20 0 GCADRM COCCN1C[C@H](C(=O)Nc2cc(F)ccc2C(=O)N[C@H](C)C(=O)[O-])CC1=O ZINC000833724056 604614498 /nfs/dbraw/zinc/61/44/98/604614498.db2.gz FJAQQVPGJPTVSZ-GHMZBOCLSA-N -1 0 395.387 0.462 20 0 GCADRM CC1CCC(NC(=O)CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)CC1 ZINC000828225773 604621202 /nfs/dbraw/zinc/62/12/02/604621202.db2.gz JJXPKAWEWNYKOO-UHFFFAOYSA-N -1 0 381.477 0.371 20 0 GCADRM O=C([O-])c1csc(S(=O)(=O)N2CCN(C(=O)c3ccnnc3)CC2)c1 ZINC000262066695 604621848 /nfs/dbraw/zinc/62/18/48/604621848.db2.gz CKWVOYDBOOILSL-UHFFFAOYSA-N -1 0 382.423 0.383 20 0 GCADRM CCO[C@H](C)c1noc(CN2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)n1 ZINC000827371813 604622800 /nfs/dbraw/zinc/62/28/00/604622800.db2.gz LQLNRZDLNAYIGG-LLVKDONJSA-N -1 0 382.421 0.357 20 0 GCADRM COc1cccc(C(=O)N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)c1OC ZINC000829537561 604623518 /nfs/dbraw/zinc/62/35/18/604623518.db2.gz QSILTGUYTPKWHX-UHFFFAOYSA-N -1 0 392.412 0.533 20 0 GCADRM COc1cccc(CC(=O)N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)c1 ZINC000829551041 604624020 /nfs/dbraw/zinc/62/40/20/604624020.db2.gz WXOMKXKYGJSEAD-UHFFFAOYSA-N -1 0 376.413 0.454 20 0 GCADRM CCOC(=O)CNC(=O)C1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000829852754 604634852 /nfs/dbraw/zinc/63/48/52/604634852.db2.gz LZVXZCQJWWZGMW-UHFFFAOYSA-N -1 0 380.401 0.647 20 0 GCADRM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000833666170 604637298 /nfs/dbraw/zinc/63/72/98/604637298.db2.gz SDUPYYQSYAZCLQ-SSDOTTSWSA-N -1 0 399.468 0.334 20 0 GCADRM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1n[nH]c(CC(=O)[O-])n1)C2=O ZINC000833595538 604641414 /nfs/dbraw/zinc/64/14/14/604641414.db2.gz WHZFBQBSAVSFFT-PHSVNERMSA-N -1 0 378.389 0.117 20 0 GCADRM Cc1c(NC(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1-c1ccccc1F ZINC000832854815 604644648 /nfs/dbraw/zinc/64/46/48/604644648.db2.gz IHHAUJIQFDCLSD-LBPRGKRZSA-N 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ZINC000422662277 1194680813 /nfs/dbraw/zinc/68/08/13/1194680813.db2.gz PMLNXOUVDVPACU-OAHLLOKOSA-N -1 0 377.397 0.986 20 0 GCADRM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422663415 1194680818 /nfs/dbraw/zinc/68/08/18/1194680818.db2.gz PNZUPNOUWHVHSI-RISCZKNCSA-N -1 0 397.453 0.778 20 0 GCADRM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000422644797 1194681017 /nfs/dbraw/zinc/68/10/17/1194681017.db2.gz MSRSVWKBPRUEKA-LBPRGKRZSA-N -1 0 395.437 0.350 20 0 GCADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000422663163 1194681102 /nfs/dbraw/zinc/68/11/02/1194681102.db2.gz PEIDLHSFTFFNAC-LBPRGKRZSA-N -1 0 397.815 0.821 20 0 GCADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCC(=O)[O-])c2ccccc2O1 ZINC000422643945 1194681274 /nfs/dbraw/zinc/68/12/74/1194681274.db2.gz LUFKXLSTONNVQS-OAHLLOKOSA-N -1 0 391.424 0.630 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C(=O)[O-] ZINC000422649980 1194681529 /nfs/dbraw/zinc/68/15/29/1194681529.db2.gz KBPUYENYGPVEEU-GFCCVEGCSA-N -1 0 397.453 0.635 20 0 GCADRM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000422648948 1194681557 /nfs/dbraw/zinc/68/15/57/1194681557.db2.gz GIVFESWHROQXJW-NSHDSACASA-N -1 0 385.442 0.434 20 0 GCADRM CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC000422649505 1194681612 /nfs/dbraw/zinc/68/16/12/1194681612.db2.gz IQIXDVPMHSAIBX-LBPRGKRZSA-N -1 0 399.469 0.929 20 0 GCADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000422645417 1194681618 /nfs/dbraw/zinc/68/16/18/1194681618.db2.gz UBRVHZMBMKXITJ-LJQANCHMSA-N -1 0 392.408 0.680 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC000422649514 1194681765 /nfs/dbraw/zinc/68/17/65/1194681765.db2.gz IRFMOZFCQKUIAY-NSHDSACASA-N -1 0 385.442 0.635 20 0 GCADRM Cc1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cccc1S(=O)(=O)N(C)C ZINC000422664957 1194681989 /nfs/dbraw/zinc/68/19/89/1194681989.db2.gz ZSHJDEGEMRYWOO-CYBMUJFWSA-N -1 0 399.469 0.799 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1N1CCCC1=O ZINC000422652133 1194682264 /nfs/dbraw/zinc/68/22/64/1194682264.db2.gz GBRLXFFONPGYLP-LLVKDONJSA-N -1 0 375.381 0.694 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000422650329 1194682279 /nfs/dbraw/zinc/68/22/79/1194682279.db2.gz LLVVVIPOVYAMQB-LLVKDONJSA-N -1 0 399.469 0.990 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c(OCC(F)(F)F)c1 ZINC000422654834 1194682299 /nfs/dbraw/zinc/68/22/99/1194682299.db2.gz XSLBXJPITTUZEA-ZETCQYMHSA-N -1 0 392.286 0.942 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000422656457 1194682899 /nfs/dbraw/zinc/68/28/99/1194682899.db2.gz DHOYUZITOYXWPG-ZDUSSCGKSA-N -1 0 397.453 0.563 20 0 GCADRM CCc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1S(N)(=O)=O ZINC000422657156 1194683050 /nfs/dbraw/zinc/68/30/50/1194683050.db2.gz IHWFCHCGKDYFBV-LBPRGKRZSA-N -1 0 385.442 0.450 20 0 GCADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000422657610 1194683093 /nfs/dbraw/zinc/68/30/93/1194683093.db2.gz MENWUQGFLMEEQO-ZDUSSCGKSA-N -1 0 397.453 0.099 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000422658291 1194683319 /nfs/dbraw/zinc/68/33/19/1194683319.db2.gz QJPSGURPFBYMIV-ZDUSSCGKSA-N -1 0 385.442 0.491 20 0 GCADRM Cc1cc(Cl)cnc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422679346 1194683329 /nfs/dbraw/zinc/68/33/29/1194683329.db2.gz TXVMMZCRCOFVAW-RYUDHWBXSA-N -1 0 396.831 0.808 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000422679380 1194683438 /nfs/dbraw/zinc/68/34/38/1194683438.db2.gz UCAINVOZUGABAU-STQMWFEESA-N -1 0 383.351 0.730 20 0 GCADRM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000422681366 1194683748 /nfs/dbraw/zinc/68/37/48/1194683748.db2.gz HPTGOCSMMHSNNX-LLVKDONJSA-N -1 0 385.442 0.819 20 0 GCADRM COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000422684438 1194684135 /nfs/dbraw/zinc/68/41/35/1194684135.db2.gz DZTJYWFZGOURKG-VXGBXAGGSA-N -1 0 378.381 0.746 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000422685130 1194684155 /nfs/dbraw/zinc/68/41/55/1194684155.db2.gz GHOARLFTVJBGTP-VXGBXAGGSA-N -1 0 382.438 0.906 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000422683291 1194684158 /nfs/dbraw/zinc/68/41/58/1194684158.db2.gz CJNZFVYKUACRQD-NWDGAFQWSA-N -1 0 397.453 0.445 20 0 GCADRM COC(=O)Cn1ncc(NC(=O)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000422684597 1194684177 /nfs/dbraw/zinc/68/41/77/1194684177.db2.gz PLMPZHMIGGZMIM-LLVKDONJSA-N -1 0 382.417 0.699 20 0 GCADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422683968 1194684203 /nfs/dbraw/zinc/68/42/03/1194684203.db2.gz NRACEHJEWDEXGB-BBATYDOGSA-N -1 0 375.381 0.446 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 ZINC000422683852 1194684246 /nfs/dbraw/zinc/68/42/46/1194684246.db2.gz DFFVSEUMBKCPKG-OCCSQVGLSA-N -1 0 375.425 0.825 20 0 GCADRM CCCCN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC000422664536 1194684565 /nfs/dbraw/zinc/68/45/65/1194684565.db2.gz WOZRYNPKMGNTBS-UHFFFAOYSA-N -1 0 399.469 0.979 20 0 GCADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC000422664235 1194684673 /nfs/dbraw/zinc/68/46/73/1194684673.db2.gz UTWFADXSOSSLPY-UHFFFAOYSA-N -1 0 385.442 0.637 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422665132 1194684721 /nfs/dbraw/zinc/68/47/21/1194684721.db2.gz VFVNTEMGKWPEBZ-GFCCVEGCSA-N -1 0 387.389 0.090 20 0 GCADRM COc1ccc(OC)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000422667931 1194684944 /nfs/dbraw/zinc/68/49/44/1194684944.db2.gz BEMCVPKWWWEZSV-SNVBAGLBSA-N -1 0 381.385 0.080 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000422665712 1194684962 /nfs/dbraw/zinc/68/49/62/1194684962.db2.gz ZQLBQVIYKPXIDO-LLVKDONJSA-N -1 0 387.314 0.993 20 0 GCADRM COC(=O)c1scc(C)c1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422667966 1194685069 /nfs/dbraw/zinc/68/50/69/1194685069.db2.gz BJNCFSCAVITHJJ-SECBINFHSA-N -1 0 399.425 0.219 20 0 GCADRM CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)C(=O)[O-] ZINC000422668013 1194685088 /nfs/dbraw/zinc/68/50/88/1194685088.db2.gz BRHAWJJDXOBQJZ-CYBMUJFWSA-N -1 0 377.397 0.530 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)[O-] ZINC000422667314 1194685363 /nfs/dbraw/zinc/68/53/63/1194685363.db2.gz UAJRILHQYFNUTA-NHYWBVRUSA-N -1 0 379.413 0.708 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C)C(=O)[O-] ZINC000422667401 1194685396 /nfs/dbraw/zinc/68/53/96/1194685396.db2.gz VGONUFXPUKICJC-HZMBPMFUSA-N -1 0 399.469 0.799 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1CCc2c1cccc2Cl)[C@@H](C)C(=O)[O-] ZINC000422668853 1194685443 /nfs/dbraw/zinc/68/54/43/1194685443.db2.gz FXZXZRZDFJFLSX-JTQLQIEISA-N -1 0 381.816 0.667 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC000422671101 1194685745 /nfs/dbraw/zinc/68/57/45/1194685745.db2.gz MEYSEHXQUFNESP-LBPRGKRZSA-N -1 0 379.413 0.850 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)nc1)[C@@H](C)C(=O)[O-] ZINC000422670609 1194685789 /nfs/dbraw/zinc/68/57/89/1194685789.db2.gz KVDJKMNRHGCWLL-NSHDSACASA-N -1 0 380.401 0.245 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)[C@@H](C)C(=O)[O-] ZINC000422670591 1194685916 /nfs/dbraw/zinc/68/59/16/1194685916.db2.gz KSPCQBOIQOTFDL-NSHDSACASA-N -1 0 389.408 0.582 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OC(C)C)c1)[C@@H](C)C(=O)[O-] ZINC000422671982 1194686259 /nfs/dbraw/zinc/68/62/59/1194686259.db2.gz PEFZAOJKGPXJFD-LBPRGKRZSA-N -1 0 379.413 0.850 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OC(C)C)[C@@H](C)C(=O)[O-] ZINC000422671955 1194686381 /nfs/dbraw/zinc/68/63/81/1194686381.db2.gz PECCJCYQCNOGQD-LBPRGKRZSA-N -1 0 379.413 0.850 20 0 GCADRM CCOC(=O)c1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1 ZINC000422673032 1194686384 /nfs/dbraw/zinc/68/63/84/1194686384.db2.gz RWKVILNCBVNNJX-NSHDSACASA-N -1 0 393.396 0.240 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000422671810 1194686390 /nfs/dbraw/zinc/68/63/90/1194686390.db2.gz OMPMNQGGHDCYFT-VIFPVBQESA-N -1 0 385.804 0.725 20 0 GCADRM COc1cc(OC)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1F ZINC000422674656 1194686594 /nfs/dbraw/zinc/68/65/94/1194686594.db2.gz WSEBBOUFHUPRJS-SECBINFHSA-N -1 0 399.375 0.219 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(-n2cccn2)c1)[C@@H](C)C(=O)[O-] ZINC000422673192 1194686662 /nfs/dbraw/zinc/68/66/62/1194686662.db2.gz SNGVTISEWVVMSN-LBPRGKRZSA-N -1 0 387.396 0.249 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1N1CCCC1)[C@H](C)C(=O)[O-] ZINC000422673748 1194686665 /nfs/dbraw/zinc/68/66/65/1194686665.db2.gz UKFVBVWJDVTZSW-CYBMUJFWSA-N -1 0 390.440 0.663 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1OCCC2)[C@H](C)C(=O)[O-] ZINC000422674170 1194686737 /nfs/dbraw/zinc/68/67/37/1194686737.db2.gz VQNSDIWQELHMNY-LLVKDONJSA-N -1 0 377.397 0.388 20 0 GCADRM CCCOc1cc(F)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422673810 1194686774 /nfs/dbraw/zinc/68/67/74/1194686774.db2.gz UTIVAMAVJLLQRN-NSHDSACASA-N -1 0 397.403 0.991 20 0 GCADRM CCCn1ncc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1C1CC1 ZINC000422674351 1194687033 /nfs/dbraw/zinc/68/70/33/1194687033.db2.gz WCRYPCRALYLEHN-LLVKDONJSA-N -1 0 393.444 0.547 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000422675897 1194687071 /nfs/dbraw/zinc/68/70/71/1194687071.db2.gz CIXROXINIBVLPP-ZYHUDNBSSA-N -1 0 382.804 0.500 20 0 GCADRM CCCc1csc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000422674524 1194687084 /nfs/dbraw/zinc/68/70/84/1194687084.db2.gz AEYHVOXSGCNFRB-RYUDHWBXSA-N -1 0 396.469 0.860 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C)C(=O)[O-] ZINC000422675665 1194687116 /nfs/dbraw/zinc/68/71/16/1194687116.db2.gz ZAAPISLVFZZSTB-AWEZNQCLSA-N -1 0 378.429 0.925 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(C)cc2cccnc21)[C@H](C)C(=O)[O-] ZINC000422675218 1194687144 /nfs/dbraw/zinc/68/71/44/1194687144.db2.gz YDYOVCWFUMGOLV-GFCCVEGCSA-N -1 0 386.408 0.920 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@@H](C)C(=O)[O-] ZINC000422675201 1194687180 /nfs/dbraw/zinc/68/71/80/1194687180.db2.gz YBRUJTBUCHZHDU-LBPRGKRZSA-N -1 0 387.396 0.249 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000422675436 1194687253 /nfs/dbraw/zinc/68/72/53/1194687253.db2.gz YLYCIBXWVQGFNI-LBPRGKRZSA-N -1 0 385.442 0.601 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)CCCCC2)[C@H](C)C(=O)[O-] ZINC000422675961 1194687256 /nfs/dbraw/zinc/68/72/56/1194687256.db2.gz ZPVLEJJFLMJESY-SNVBAGLBSA-N -1 0 396.469 0.788 20 0 GCADRM CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422675489 1194687276 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CC[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC001595133562 979561378 /nfs/dbraw/zinc/56/13/78/979561378.db2.gz KVQDPMCVUDWYHJ-NSHDSACASA-N -1 0 383.426 0.392 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001595134580 979567051 /nfs/dbraw/zinc/56/70/51/979567051.db2.gz YBOVEENUYKWEIU-NWDGAFQWSA-N -1 0 375.381 0.057 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001595134579 979567059 /nfs/dbraw/zinc/56/70/59/979567059.db2.gz YBOVEENUYKWEIU-NEPJUHHUSA-N -1 0 375.381 0.057 20 0 GCADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC000852944511 979587338 /nfs/dbraw/zinc/58/73/38/979587338.db2.gz HOWBJQJIBRFEOP-CQSZACIVSA-N -1 0 380.426 0.151 20 0 GCADRM CC[C@H](CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)[O-] ZINC001595139621 979594835 /nfs/dbraw/zinc/59/48/35/979594835.db2.gz UNWTUSVEWYAZPL-CHWSQXEVSA-N -1 0 385.461 0.977 20 0 GCADRM 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ZINC001592854765 979656232 /nfs/dbraw/zinc/65/62/32/979656232.db2.gz WHGKWTCJBZKYJP-AWEZNQCLSA-N -1 0 377.441 0.727 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCO[C@@H]2C)cc1)C(=O)[O-] ZINC001592854923 979658776 /nfs/dbraw/zinc/65/87/76/979658776.db2.gz XQZMIIHGFBLPAT-IOASZLSFSA-N -1 0 378.425 0.887 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1)C(=O)[O-] ZINC001592855135 979660905 /nfs/dbraw/zinc/66/09/05/979660905.db2.gz ZZILRNKHBLVEHJ-LBPRGKRZSA-N -1 0 382.438 0.535 20 0 GCADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)o1 ZINC000864105055 979691160 /nfs/dbraw/zinc/69/11/60/979691160.db2.gz HXEFCUJCLFLOGL-XQRVVYSFSA-N -1 0 375.381 0.284 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(=O)[O-] ZINC001592860619 979692163 /nfs/dbraw/zinc/69/21/63/979692163.db2.gz KIPNMNKLOBTYBX-ZDUSSCGKSA-N -1 0 398.485 0.906 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1)C(=O)[O-] ZINC001592861105 979695739 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GCADRM C[C@@H](Cc1cccc(O)c1)NC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592885989 979772362 /nfs/dbraw/zinc/77/23/62/979772362.db2.gz WWIBGCHWKQJWGG-IFXJQAMLSA-N -1 0 377.441 0.894 20 0 GCADRM C[C@@H]1CN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC000864172240 979803479 /nfs/dbraw/zinc/80/34/79/979803479.db2.gz LASPDLTVUZTVHE-PNTFSDHLSA-N -1 0 382.438 0.667 20 0 GCADRM CC[C@@](COC)(NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC001595188446 979859058 /nfs/dbraw/zinc/85/90/58/979859058.db2.gz ONJWHUCTQDCBEG-RBUKOAKNSA-N -1 0 389.408 0.376 20 0 GCADRM CC[C@@](COC)(NC(=O)c1[nH]nc(C)c1I)C(=O)[O-] ZINC001595189690 979877862 /nfs/dbraw/zinc/87/78/62/979877862.db2.gz UUDFOJTZATUTKG-NSHDSACASA-N -1 0 381.170 0.932 20 0 GCADRM CC[C@](COC)(NC(=O)c1[nH]nc(C)c1I)C(=O)[O-] ZINC001595189689 979878289 /nfs/dbraw/zinc/87/82/89/979878289.db2.gz UUDFOJTZATUTKG-LLVKDONJSA-N -1 0 381.170 0.932 20 0 GCADRM CC[C@@](COC)(NC(=O)c1cc(I)nn1C)C(=O)[O-] ZINC001595192951 979881145 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20 0 GCADRM CC[C@@](COC)(NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)[O-] ZINC001595195056 979909135 /nfs/dbraw/zinc/90/91/35/979909135.db2.gz OGLOKBHREQXCCT-AWEZNQCLSA-N -1 0 393.849 0.395 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC001592919121 979914426 /nfs/dbraw/zinc/91/44/26/979914426.db2.gz XQELHPOEBLJEJA-YOEHRIQHSA-N -1 0 379.438 0.671 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(OC)cc1C(=O)OC)C(=O)[O-] ZINC001595198947 979932515 /nfs/dbraw/zinc/93/25/15/979932515.db2.gz RVHBWCRQIZWXJJ-OAHLLOKOSA-N -1 0 375.399 0.640 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)C(=O)[O-] ZINC001592924773 979934023 /nfs/dbraw/zinc/93/40/23/979934023.db2.gz YHIDARYMAMBPEC-CQSZACIVSA-N -1 0 386.817 0.608 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC001592925000 979937127 /nfs/dbraw/zinc/93/71/27/979937127.db2.gz PSFINDLWURQYOS-KRWDZBQOSA-N -1 0 392.437 0.597 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1cc(C(=O)OC)ccc1COC)C(=O)[O-] ZINC001595199434 979939708 /nfs/dbraw/zinc/93/97/08/979939708.db2.gz GMIDTBWNBSJZGB-INIZCTEOSA-N -1 0 389.426 0.778 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001592925381 979941716 /nfs/dbraw/zinc/94/17/16/979941716.db2.gz YZGOQZQDNWSYFP-AWEZNQCLSA-N -1 0 386.817 0.457 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199575 979941948 /nfs/dbraw/zinc/94/19/48/979941948.db2.gz KUAXPXFZYBLKDS-JBEBIEQOSA-N -1 0 393.487 0.704 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199576 979942194 /nfs/dbraw/zinc/94/21/94/979942194.db2.gz KUAXPXFZYBLKDS-LFPIHBKWSA-N -1 0 393.487 0.704 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(N)=O ZINC001592925448 979942365 /nfs/dbraw/zinc/94/23/65/979942365.db2.gz ZYGFMVCDAHJXDJ-GOSISDBHSA-N -1 0 382.380 0.441 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC001592925984 979946456 /nfs/dbraw/zinc/94/64/56/979946456.db2.gz MRWRFKGEMGMIRZ-NSHDSACASA-N -1 0 381.336 0.464 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001592926753 979951562 /nfs/dbraw/zinc/95/15/62/979951562.db2.gz YIPQLMZLVTWBRD-JBEBIEQOSA-N -1 0 392.503 0.991 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001592929359 979956452 /nfs/dbraw/zinc/95/64/52/979956452.db2.gz HOWZHMSQUOVMKA-CWTRNNRKSA-N -1 0 399.407 0.800 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001592929646 979959060 /nfs/dbraw/zinc/95/90/60/979959060.db2.gz LDZROCYZFHDMJQ-LLVKDONJSA-N -1 0 390.421 0.800 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001592929647 979959432 /nfs/dbraw/zinc/95/94/32/979959432.db2.gz LDZROCYZFHDMJQ-NSHDSACASA-N -1 0 390.421 0.800 20 0 GCADRM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595203326 979963078 /nfs/dbraw/zinc/96/30/78/979963078.db2.gz QFRZJNNHZHQKIE-ZDUSSCGKSA-N -1 0 392.433 0.915 20 0 GCADRM 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C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599853418 989050426 /nfs/dbraw/zinc/05/04/26/989050426.db2.gz RJFHXRDNJNQCGQ-RISCZKNCSA-N -1 0 388.417 0.585 20 0 GCADRM C[C@@H]1CN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599853874 989057359 /nfs/dbraw/zinc/05/73/59/989057359.db2.gz SIOBOKDGPNMSFX-WBMJQRKESA-N -1 0 384.392 0.529 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cnc3n2CCOC3)[C@@H](C(=O)[O-])C1 ZINC001590035439 989059230 /nfs/dbraw/zinc/05/92/30/989059230.db2.gz SQXMSKRPMGRTKH-CYBMUJFWSA-N -1 0 394.428 0.950 20 0 GCADRM CCc1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CCCOC[C@H]1CCOC1 ZINC001597734755 989070497 /nfs/dbraw/zinc/07/04/97/989070497.db2.gz GMGKSFVXQGMVDZ-RBSFLKMASA-N -1 0 382.461 0.556 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001590049970 989076858 /nfs/dbraw/zinc/07/68/58/989076858.db2.gz AQMXXZYOXZJDHK-ZDUSSCGKSA-N -1 0 396.444 0.538 20 0 GCADRM 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RCANHDZSUCLKAB-NSHDSACASA-N -1 0 380.463 0.653 20 0 GCADRM CCc1noc(CCCC(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)[O-])n1 ZINC001597749093 989140863 /nfs/dbraw/zinc/14/08/63/989140863.db2.gz VMDZWQHUTDIRRS-WDEREUQCSA-N -1 0 384.458 0.836 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C[C@@H](C(=O)[O-])O1 ZINC001599859386 989141905 /nfs/dbraw/zinc/14/19/05/989141905.db2.gz CYIWUSWXQGKLAH-DOMZBBRYSA-N -1 0 377.397 0.865 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)NCCSCC(=O)[O-] ZINC001590067558 989142471 /nfs/dbraw/zinc/14/24/71/989142471.db2.gz ULJPRYLVZADJSD-LLVKDONJSA-N -1 0 377.463 0.739 20 0 GCADRM CCc1noc(C[C@@]2(O)CCCN(C(=O)Nc3ccn(CC(=O)[O-])n3)C2)n1 ZINC001597749313 989143726 /nfs/dbraw/zinc/14/37/26/989143726.db2.gz YKFQKEUCSIAKLM-INIZCTEOSA-N -1 0 378.389 0.515 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N(CC(=O)[O-])C2CC2)C1 ZINC001590067695 989143761 /nfs/dbraw/zinc/14/37/61/989143761.db2.gz VNYFOEJYSPXREE-LBPRGKRZSA-N -1 0 378.447 0.501 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(Cc3cn(CC(=O)[O-])nn3)C2)C1 ZINC001590067912 989146442 /nfs/dbraw/zinc/14/64/42/989146442.db2.gz YGVDGHXNJISAEL-QGZVFWFLSA-N -1 0 381.433 0.575 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CCN(Cc3cn(CC(=O)[O-])nn3)C2)C1 ZINC001590067911 989146807 /nfs/dbraw/zinc/14/68/07/989146807.db2.gz YGVDGHXNJISAEL-KRWDZBQOSA-N -1 0 381.433 0.575 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@@H](Cn1cncn1)C(=O)[O-] ZINC001590072716 989151743 /nfs/dbraw/zinc/15/17/43/989151743.db2.gz KNKPYIOTPRCKAA-QNWHQSFQSA-N -1 0 379.417 0.351 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C[C@@H](C(=O)[O-])O1 ZINC001599860313 989157519 /nfs/dbraw/zinc/15/75/19/989157519.db2.gz GLHQWWQVWYOBJX-YGRLFVJLSA-N -1 0 383.426 0.833 20 0 GCADRM CCc1noc2ncc(C(=O)NC3(CC(=O)[O-])CCS(=O)(=O)CC3)cc12 ZINC001597754468 989157840 /nfs/dbraw/zinc/15/78/40/989157840.db2.gz IWHSSDRCWQTVPT-UHFFFAOYSA-N -1 0 381.410 0.937 20 0 GCADRM CCc1noc2ncc(S(=O)(=O)N(CCN3CCOCC3)CC(=O)[O-])cc12 ZINC001597754475 989158902 /nfs/dbraw/zinc/15/89/02/989158902.db2.gz IZDPZMZCFVSPSK-UHFFFAOYSA-N -1 0 398.441 0.193 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001590073920 989160104 /nfs/dbraw/zinc/16/01/04/989160104.db2.gz XJRIVOHUNZTKDN-WDEREUQCSA-N -1 0 376.431 0.096 20 0 GCADRM CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NC[C@H](O)C(=O)[O-])ccc2C1 ZINC001590074430 989162450 /nfs/dbraw/zinc/16/24/50/989162450.db2.gz AIEIOYCXRXVJEU-ZDUSSCGKSA-N -1 0 380.397 0.991 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001590074967 989170629 /nfs/dbraw/zinc/17/06/29/989170629.db2.gz UKLNRAZALRLEAH-NSHDSACASA-N -1 0 378.385 0.844 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2ccccc2CN2C(=O)CNC2=O)C[C@@H](C(=O)[O-])O1 ZINC001599861339 989171823 /nfs/dbraw/zinc/17/18/23/989171823.db2.gz XCRZSKNUIGDANO-MFKMUULPSA-N -1 0 376.369 0.444 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC(C)(C)C(=O)[O-])C1 ZINC001590075550 989179506 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DPHJZCLMVBSKSW-WCQYABFASA-N -1 0 394.432 0.627 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)CCCCCC(=O)[O-])C1 ZINC001590091278 989205957 /nfs/dbraw/zinc/20/59/57/989205957.db2.gz GXSOBGQWNKHEBK-VXGBXAGGSA-N -1 0 380.463 0.531 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001590091647 989210337 /nfs/dbraw/zinc/21/03/37/989210337.db2.gz QMIJVMZTFPHTHZ-RRUGBERISA-N -1 0 394.428 0.548 20 0 GCADRM CC(C)(C)OC(=O)N1CCn2nc(NC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1 ZINC001590092208 989216313 /nfs/dbraw/zinc/21/63/13/989216313.db2.gz KSKIASWMRAWYPA-LBPRGKRZSA-N -1 0 395.416 0.951 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001590097535 989225701 /nfs/dbraw/zinc/22/57/01/989225701.db2.gz KFRFDCQQXCDZCO-QWRGUYRKSA-N -1 0 380.405 0.380 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001590098499 989231848 /nfs/dbraw/zinc/23/18/48/989231848.db2.gz ZKKBXUJGFVMFJI-FHSNZYRGSA-N -1 0 384.429 0.572 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC(O)(COCCO)CC1 ZINC001597777664 989250475 /nfs/dbraw/zinc/25/04/75/989250475.db2.gz FCFQOIDGZXLSHW-UHFFFAOYSA-N -1 0 377.415 0.065 20 0 GCADRM C[C@@H]1CN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C[C@@H](C(=O)[O-])O1 ZINC001599865837 989254353 /nfs/dbraw/zinc/25/43/53/989254353.db2.gz SWFFTCWAYBJGCZ-OCCSQVGLSA-N -1 0 379.413 0.799 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(=O)OCc1ccccc1 ZINC001597779740 989273650 /nfs/dbraw/zinc/27/36/50/989273650.db2.gz HZEUJNYFMMCZIT-GFCCVEGCSA-N -1 0 397.405 0.923 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CCOCCOC)CC1 ZINC001597779859 989274848 /nfs/dbraw/zinc/27/48/48/989274848.db2.gz SYWXBPHAQCPFEH-UHFFFAOYSA-N -1 0 390.458 0.510 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1)C(F)F ZINC001590113019 989295125 /nfs/dbraw/zinc/29/51/25/989295125.db2.gz NTNPCKKQXNIVGZ-VIFPVBQESA-N -1 0 389.359 0.908 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])C(F)F 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/nfs/dbraw/zinc/30/65/10/989306510.db2.gz CSLRQPHMXBSJKL-NSHDSACASA-N -1 0 385.417 0.846 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1CC(=O)[O-] ZINC001599868377 989308038 /nfs/dbraw/zinc/30/80/38/989308038.db2.gz JYUYJXKEZZTXTR-UKRRQHHQSA-N -1 0 396.465 0.890 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001599868397 989308411 /nfs/dbraw/zinc/30/84/11/989308411.db2.gz MOIFTHKQIRBIIY-SECBINFHSA-N -1 0 396.874 0.693 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C[C@H]1CC(=O)[O-] ZINC001599868402 989309149 /nfs/dbraw/zinc/30/91/49/989309149.db2.gz MUSMTGZCMJDASP-NXEZZACHSA-N -1 0 394.446 0.929 20 0 GCADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cn2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001599868643 989312726 /nfs/dbraw/zinc/31/27/26/989312726.db2.gz DHGPYJZGXQTQCD-NRWUCQMLSA-N -1 0 375.429 0.265 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001590116869 989317544 /nfs/dbraw/zinc/31/75/44/989317544.db2.gz JIKBLYOSMNDHGR-WDEREUQCSA-N -1 0 378.447 0.438 20 0 GCADRM C[C@@H]1CN(c2nnc([C@]3(O)CCOC3)n2C[C@@H]2CCOC2)C[C@H]1CC(=O)[O-] ZINC001599869242 989322866 /nfs/dbraw/zinc/32/28/66/989322866.db2.gz BLAAAOYUNOMPBO-NPSOMJIGSA-N -1 0 380.445 0.470 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)NCCn1cc(C(=O)[O-])nn1)C(F)F ZINC001590117462 989323095 /nfs/dbraw/zinc/32/30/95/989323095.db2.gz QUYHWDDLZOZTNU-MRVPVSSYSA-N -1 0 377.348 0.641 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001590117452 989323111 /nfs/dbraw/zinc/32/31/11/989323111.db2.gz MGTKJZHCWLEIRK-KBPBESRZSA-N -1 0 385.461 0.678 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001590117457 989323229 /nfs/dbraw/zinc/32/32/29/989323229.db2.gz MGTKJZHCWLEIRK-UONOGXRCSA-N -1 0 385.461 0.678 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@]3(O)CCOC3)n2C[C@@H]2CCCCO2)C[C@H]1C(=O)[O-] ZINC001599869789 989330443 /nfs/dbraw/zinc/33/04/43/989330443.db2.gz IEJIJWCNBHTPJR-KYZVSKTDSA-N -1 0 380.445 0.612 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H](CC1OCCO1)C(=O)[O-])C(F)F ZINC001590118673 989331251 /nfs/dbraw/zinc/33/12/51/989331251.db2.gz WCCBBQKTFBYJQJ-BDAKNGLRSA-N -1 0 382.360 0.867 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001590118769 989332699 /nfs/dbraw/zinc/33/26/99/989332699.db2.gz RPWXKMCFXIFHIT-MNOVXSKESA-N -1 0 378.447 0.390 20 0 GCADRM C[C@@H]1CN(c2nnc(CCCCCO)n2C[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599870001 989333640 /nfs/dbraw/zinc/33/36/40/989333640.db2.gz KOLQOHRUKZOWCE-KFWWJZLASA-N -1 0 382.461 0.698 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3ccnn3C)n2C[C@@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599870049 989333750 /nfs/dbraw/zinc/33/37/50/989333750.db2.gz UXWXRZHFNLCDPI-DYEKYZERSA-N -1 0 376.417 0.393 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@H]3C[C@@H](O)CN3C)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599870442 989341249 /nfs/dbraw/zinc/34/12/49/989341249.db2.gz SAZWDUGFNUKEIJ-KHMAMNHCSA-N -1 0 379.461 0.209 20 0 GCADRM C[C@@H]1CN(c2nnc([C@]3(C)CCC(=O)NC3)n2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599870510 989342081 /nfs/dbraw/zinc/34/20/81/989342081.db2.gz UJIZGVUAXAPBMK-SUFBMKPHSA-N -1 0 377.445 0.534 20 0 GCADRM C[C@@H]1CN(c2nnc(C3(O)CCOCC3)n2C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599871018 989350355 /nfs/dbraw/zinc/35/03/55/989350355.db2.gz ZXZMMLBLURLUGP-MGPQQGTHSA-N -1 0 380.445 0.470 20 0 GCADRM C[C@@H]1C[C@H](C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001599871915 989362509 /nfs/dbraw/zinc/36/25/09/989362509.db2.gz IDIIHONSCFYGTC-JHJVBQTASA-N -1 0 383.445 0.776 20 0 GCADRM CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)CCCC1 ZINC001590133203 989377313 /nfs/dbraw/zinc/37/73/13/989377313.db2.gz CNWXNMWGTUXKPJ-LBPRGKRZSA-N -1 0 383.445 0.873 20 0 GCADRM C[C@@H]1C[C@H](C(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)O[C@H]1C(=O)[O-] ZINC001599875420 989411941 /nfs/dbraw/zinc/41/19/41/989411941.db2.gz XDHQGNOZKGVLNB-FTLITQJKSA-N -1 0 379.291 0.006 20 0 GCADRM C[C@@H]1C[C@H](C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)O[C@H]1C(=O)[O-] ZINC001599876525 989426387 /nfs/dbraw/zinc/42/63/87/989426387.db2.gz ZCXXWDUOMWFEOX-KCPJHIHWSA-N -1 0 382.438 0.738 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](CN2CCOC[C@@H]2C(=O)[O-])C1 ZINC001590148045 989436911 /nfs/dbraw/zinc/43/69/11/989436911.db2.gz UTPKNPQNJUTJDT-ZIAGYGMSSA-N -1 0 385.461 0.535 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](CN2CCOC[C@H]2C(=O)[O-])C1 ZINC001590148041 989437381 /nfs/dbraw/zinc/43/73/81/989437381.db2.gz UTPKNPQNJUTJDT-KBPBESRZSA-N -1 0 385.461 0.535 20 0 GCADRM CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NC[C@@H](O)CC(=O)[O-])cc21 ZINC001590148516 989441655 /nfs/dbraw/zinc/44/16/55/989441655.db2.gz RMACNAROOCHRSQ-QWRGUYRKSA-N -1 0 382.417 0.808 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001590149046 989445767 /nfs/dbraw/zinc/44/57/67/989445767.db2.gz XXRDQJZUFNHEHU-WUHRBBMRSA-N -1 0 383.445 0.918 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001590150258 989448890 /nfs/dbraw/zinc/44/88/90/989448890.db2.gz GQRCJFNVDCRZGM-CYBMUJFWSA-N -1 0 395.412 0.276 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001590151047 989452985 /nfs/dbraw/zinc/45/29/85/989452985.db2.gz XDKMGGGUAHWWQL-AVGNSLFASA-N -1 0 383.445 0.729 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001599879207 989461169 /nfs/dbraw/zinc/46/11/69/989461169.db2.gz TZYOFFAOPUEZIU-CHWSQXEVSA-N -1 0 391.490 0.969 20 0 GCADRM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001590163003 989471980 /nfs/dbraw/zinc/47/19/80/989471980.db2.gz PFMPCKZABQPFDC-NKXNIHSHSA-N -1 0 386.445 0.791 20 0 GCADRM CC(C)(C)OC(=O)NC[C@]1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CCCOC1 ZINC001590163478 989473038 /nfs/dbraw/zinc/47/30/38/989473038.db2.gz TWGPXPXSNWVDMM-SCLBCKFNSA-N -1 0 396.444 0.843 20 0 GCADRM 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CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC001598612405 993803701 /nfs/dbraw/zinc/80/37/01/993803701.db2.gz UZKGGBYPCBGXGA-KBPBESRZSA-N -1 0 385.461 0.534 20 0 GCADRM C[C@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(=O)NC(C)(C)C ZINC001593116577 993811449 /nfs/dbraw/zinc/81/14/49/993811449.db2.gz GFCQIXVKCUVWPS-NSHDSACASA-N -1 0 378.429 0.855 20 0 GCADRM COc1ccc(OC)c(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001599601823 993826927 /nfs/dbraw/zinc/82/69/27/993826927.db2.gz DNNLYDDQYPWUBD-GFCCVEGCSA-N -1 0 379.413 0.650 20 0 GCADRM CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCC(=O)[O-])CC3)CC1 ZINC001598613405 993828094 /nfs/dbraw/zinc/82/80/94/993828094.db2.gz SFCLFSGXPHPVKJ-AWEZNQCLSA-N -1 0 391.472 0.204 20 0 GCADRM COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCC(=O)NCCC(=O)[O-])C2)c1 ZINC001599602986 993843426 /nfs/dbraw/zinc/84/34/26/993843426.db2.gz DEQCSHKCTZKEOG-OAHLLOKOSA-N -1 0 393.396 0.294 20 0 GCADRM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001593124792 993856898 /nfs/dbraw/zinc/85/68/98/993856898.db2.gz MBGMDOSYGAOQTJ-KBPBESRZSA-N -1 0 387.477 0.781 20 0 GCADRM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001599604278 993862215 /nfs/dbraw/zinc/86/22/15/993862215.db2.gz REPWOFZIBVSZLM-UBHSHLNASA-N -1 0 383.422 0.518 20 0 GCADRM COc1ccc(OC)c(NC(=O)C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1 ZINC001599604334 993863038 /nfs/dbraw/zinc/86/30/38/993863038.db2.gz FFLPGEHHPVWJMZ-NSHDSACASA-N -1 0 382.369 0.365 20 0 GCADRM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001593134479 993897761 /nfs/dbraw/zinc/89/77/61/993897761.db2.gz JDTGVELUDPQYTR-GWCFXTLKSA-N -1 0 382.417 0.873 20 0 GCADRM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc(C(=O)[O-])nn2C)CCO1 ZINC001593134481 993897801 /nfs/dbraw/zinc/89/78/01/993897801.db2.gz JDTGVELUDPQYTR-GXFFZTMASA-N -1 0 382.417 0.873 20 0 GCADRM COc1ccc(OC)c2c1CN(S(=O)(=O)c1cc(C(=O)[O-])no1)C[C@H]2O ZINC001599607194 993902632 /nfs/dbraw/zinc/90/26/32/993902632.db2.gz 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ZINC001598676732 994857211 /nfs/dbraw/zinc/85/72/11/994857211.db2.gz LBRVCWSQQNCXSG-AAEUAGOBSA-N -1 0 381.410 0.222 20 0 GCADRM CNS(=O)(=O)c1cccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001598676731 994857360 /nfs/dbraw/zinc/85/73/60/994857360.db2.gz KVJCTGGHBSCPHL-LSDHHAIUSA-N -1 0 381.454 0.847 20 0 GCADRM COc1cccc(CN2CCN(S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])CC2)c1 ZINC001599673749 994859009 /nfs/dbraw/zinc/85/90/09/994859009.db2.gz SZNAAEINUDYGAB-UHFFFAOYSA-N -1 0 394.453 0.931 20 0 GCADRM CNS(=O)(=O)c1csc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])c1 ZINC001598676879 994860753 /nfs/dbraw/zinc/86/07/53/994860753.db2.gz DJILUKSRXSYJHO-LLVKDONJSA-N -1 0 384.435 0.788 20 0 GCADRM COc1cccc(CN2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)CC2)c1 ZINC001599673844 994861613 /nfs/dbraw/zinc/86/16/13/994861613.db2.gz XKUDRIMXGCZDOW-QGZVFWFLSA-N -1 0 389.452 0.663 20 0 GCADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001598676997 994861951 /nfs/dbraw/zinc/86/19/51/994861951.db2.gz 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C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001593326734 994881270 /nfs/dbraw/zinc/88/12/70/994881270.db2.gz ZBHFMZQZERUBCF-SWLSCSKDSA-N -1 0 394.453 0.676 20 0 GCADRM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001593326732 994881583 /nfs/dbraw/zinc/88/15/83/994881583.db2.gz ZBHFMZQZERUBCF-DOMZBBRYSA-N -1 0 394.453 0.676 20 0 GCADRM COc1cccc(CO[C@@H](C)C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC001599675581 994891175 /nfs/dbraw/zinc/89/11/75/994891175.db2.gz MUFWIWZGLGZJLB-GXTWGEPZSA-N -1 0 385.438 0.701 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001593330772 994897332 /nfs/dbraw/zinc/89/73/32/994897332.db2.gz NXMAZRXYBHAAHQ-YGRLFVJLSA-N -1 0 375.878 0.951 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593331264 994900832 /nfs/dbraw/zinc/90/08/32/994900832.db2.gz WBCAQKVERQJSOK-UWVGGRQHSA-N -1 0 378.410 0.753 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nnc2c(=O)[nH]ccn21 ZINC001593334074 994908381 /nfs/dbraw/zinc/90/83/81/994908381.db2.gz JLOUDWLDLNBFRB-SSDOTTSWSA-N -1 0 397.800 0.809 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1nnc2c(=O)[nH]ccn21 ZINC001593334077 994908795 /nfs/dbraw/zinc/90/87/95/994908795.db2.gz JMFLCWOFHNOYTL-ZETCQYMHSA-N -1 0 381.345 0.294 20 0 GCADRM COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)C2)c1 ZINC001599678072 994931508 /nfs/dbraw/zinc/93/15/08/994931508.db2.gz RXWJPKHLSAZKMM-XEZPLFJOSA-N -1 0 375.425 0.712 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC001593339427 994933771 /nfs/dbraw/zinc/93/37/71/994933771.db2.gz NUDLRNZPUGSBGN-BBRMVZONSA-N -1 0 385.486 0.453 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC001593339432 994933965 /nfs/dbraw/zinc/93/39/65/994933965.db2.gz NUDLRNZPUGSBGN-XJKSGUPXSA-N -1 0 385.486 0.453 20 0 GCADRM 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0.279 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001598695270 995127249 /nfs/dbraw/zinc/12/72/49/995127249.db2.gz SEMSBEXOTVUSAD-PELKAZGASA-N -1 0 386.763 0.965 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC001598695381 995128133 /nfs/dbraw/zinc/12/81/33/995128133.db2.gz RYERIWCPSXHZAZ-VXNVDRBHSA-N -1 0 378.428 0.240 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1cncc(I)c1 ZINC001598695770 995134731 /nfs/dbraw/zinc/13/47/31/995134731.db2.gz ZISFAMLPADONHU-MRVPVSSYSA-N -1 0 378.122 0.432 20 0 GCADRM C[C@](O)(CNC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC001593396033 995135902 /nfs/dbraw/zinc/13/59/02/995135902.db2.gz FJLIFFIOMKXJKD-INIZCTEOSA-N -1 0 384.410 0.004 20 0 GCADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593396252 995139619 /nfs/dbraw/zinc/13/96/19/995139619.db2.gz JPUADWLCGWQCBH-SFHVURJKSA-N -1 0 376.409 0.391 20 0 GCADRM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001593396512 995142314 /nfs/dbraw/zinc/14/23/14/995142314.db2.gz OBEDMQKOKKTMPS-OALUTQOASA-N -1 0 387.392 0.225 20 0 GCADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001593396612 995143332 /nfs/dbraw/zinc/14/33/32/995143332.db2.gz RGVHUYMOEZUOBE-LJQANCHMSA-N -1 0 384.392 0.400 20 0 GCADRM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001593396820 995146532 /nfs/dbraw/zinc/14/65/32/995146532.db2.gz WOYMMSGBWDLRFU-ORAYPTAESA-N -1 0 399.407 0.157 20 0 GCADRM C[C@@](O)(CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)C(F)F ZINC001593396928 995148267 /nfs/dbraw/zinc/14/82/67/995148267.db2.gz ZASFHFZZYFIMBN-CYBMUJFWSA-N -1 0 384.426 0.769 20 0 GCADRM COC(=O)[C@H](CCC(=O)[O-])N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC001598697020 995156830 /nfs/dbraw/zinc/15/68/30/995156830.db2.gz CXRGKEXRKIXWER-GJZGRUSLSA-N -1 0 385.438 0.870 20 0 GCADRM COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001598697152 995159212 /nfs/dbraw/zinc/15/92/12/995159212.db2.gz MWYVYMPGZOVUJC-JTQLQIEISA-N -1 0 377.346 0.107 20 0 GCADRM COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598697473 995164131 /nfs/dbraw/zinc/16/41/31/995164131.db2.gz OKECSTFBGBDVLC-LLVKDONJSA-N -1 0 377.346 0.107 20 0 GCADRM COC(=O)[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001598697876 995171376 /nfs/dbraw/zinc/17/13/76/995171376.db2.gz QHXBHUCSOHFEFP-UKRRQHHQSA-N -1 0 385.438 0.950 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC001598698502 995182434 /nfs/dbraw/zinc/18/24/34/995182434.db2.gz KPKLLDRVSOAEJR-CYBMUJFWSA-N -1 0 378.381 0.580 20 0 GCADRM COC(=O)[C@H](CCC1OCCO1)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598699449 995197571 /nfs/dbraw/zinc/19/75/71/995197571.db2.gz QCVHCQHDMGYROK-GRYCIOLGSA-N -1 0 379.431 0.244 20 0 GCADRM COC(=O)[C@H](CCC1OCCO1)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001598699456 995197886 /nfs/dbraw/zinc/19/78/86/995197886.db2.gz QCVHCQHDMGYROK-WOPDTQHZSA-N -1 0 379.431 0.244 20 0 GCADRM COC(=O)[C@@H](CCC1OCCO1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001598700179 995209453 /nfs/dbraw/zinc/20/94/53/995209453.db2.gz WNQJHBDUNUVHGZ-GFCCVEGCSA-N -1 0 387.410 0.666 20 0 GCADRM COC(=O)[C@H](CCC(=O)[O-])N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001598700258 995211232 /nfs/dbraw/zinc/21/12/32/995211232.db2.gz UUDQQHPNPGSONI-HNNXBMFYSA-N -1 0 381.404 0.788 20 0 GCADRM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCSCC(=O)[O-] ZINC001593420471 995217440 /nfs/dbraw/zinc/21/74/40/995217440.db2.gz VIYYGMGMKOLLPD-ZDUSSCGKSA-N -1 0 382.360 0.552 20 0 GCADRM C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCSCC(=O)[O-] ZINC001593420470 995217541 /nfs/dbraw/zinc/21/75/41/995217541.db2.gz VIYYGMGMKOLLPD-CYBMUJFWSA-N -1 0 382.360 0.552 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001593424620 995219650 /nfs/dbraw/zinc/21/96/50/995219650.db2.gz ANAUMDJJIGOEQI-NXYFWLRCSA-N -1 0 396.390 0.867 20 0 GCADRM COC(=O)[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@H]1CCC[C@@H](OC)C1 ZINC001598701025 995223419 /nfs/dbraw/zinc/22/34/19/995223419.db2.gz BEURQRDOWNCLAA-SFDCQRBFSA-N -1 0 384.429 0.173 20 0 GCADRM COC(=O)[C@H](Cc1cncs1)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001598701071 995223905 /nfs/dbraw/zinc/22/39/05/995223905.db2.gz CLTFLZJVDSBGLO-ZDUSSCGKSA-N -1 0 384.435 0.833 20 0 GCADRM COC(=O)[C@H](CNS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1ccc(C)cc1 ZINC001598701963 995235291 /nfs/dbraw/zinc/23/52/91/995235291.db2.gz HKINLCFVCVOUSL-GFCCVEGCSA-N -1 0 381.410 0.960 20 0 GCADRM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001593427688 995239358 /nfs/dbraw/zinc/23/93/58/995239358.db2.gz NXAOGWHUVBQIJC-GFCCVEGCSA-N -1 0 384.454 0.263 20 0 GCADRM C[C@@H](O)C(C)(C)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001593427931 995240825 /nfs/dbraw/zinc/24/08/25/995240825.db2.gz QKMMXSYTWROFLP-ZWRZFFQRSA-N -1 0 376.475 0.503 20 0 GCADRM C[C@@H](O)C(C)(C)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001593427930 995241059 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COC(=O)[C@H]1CCN(S(=O)(=O)CCCC2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001598800630 996136422 /nfs/dbraw/zinc/13/64/22/996136422.db2.gz VOYQUIMXUPEORJ-UONOGXRCSA-N -1 0 377.459 0.861 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CC3(CCC3)CO2)[C@@H](C(=O)[O-])C1 ZINC001598801048 996138779 /nfs/dbraw/zinc/13/87/79/996138779.db2.gz XGGUBVXINITFKA-FRRDWIJNSA-N -1 0 375.443 0.614 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@@H](C(=O)[O-])C1 ZINC001598801490 996141943 /nfs/dbraw/zinc/14/19/43/996141943.db2.gz ZEAUGQQQHXOBDG-GHMZBOCLSA-N -1 0 376.818 0.903 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)[C@@H]1C ZINC001598801569 996142880 /nfs/dbraw/zinc/14/28/80/996142880.db2.gz ZSCOLNPRWIMMQA-NXEZZACHSA-N -1 0 387.410 0.974 20 0 GCADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593693288 996143694 /nfs/dbraw/zinc/14/36/94/996143694.db2.gz LXIHRYISFRUGMS-JTQLQIEISA-N -1 0 385.367 0.581 20 0 GCADRM COC(=O)[C@@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC001598801864 996145001 /nfs/dbraw/zinc/14/50/01/996145001.db2.gz VMSXHGIOSPEFJM-DOMZBBRYSA-N -1 0 385.438 0.807 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3C)[C@@H](C(=O)[O-])C1 ZINC001598802728 996154698 /nfs/dbraw/zinc/15/46/98/996154698.db2.gz HSJCLIPBKIRGEB-BXUZGUMPSA-N -1 0 399.407 0.419 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@@H](C(=O)[O-])C1 ZINC001598803059 996158420 /nfs/dbraw/zinc/15/84/20/996158420.db2.gz JOKZJSRTESCDRD-MWLCHTKSSA-N -1 0 376.456 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Cc3ccsc3)C2)C[C@H]1C(=O)[O-] ZINC001598803246 996159349 /nfs/dbraw/zinc/15/93/49/996159349.db2.gz JWSOBRIAPJCXPP-CHWSQXEVSA-N -1 0 380.422 0.081 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001593698176 996162037 /nfs/dbraw/zinc/16/20/37/996162037.db2.gz BAZGFXACIDMJNW-SNVBAGLBSA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CCCc3sccc3C2)C[C@@H]1C(=O)[O-] ZINC001598803838 996165400 /nfs/dbraw/zinc/16/54/00/996165400.db2.gz PWDAILSBXFOHOK-RYUDHWBXSA-N -1 0 380.422 0.355 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593698993 996168146 /nfs/dbraw/zinc/16/81/46/996168146.db2.gz JVIWBLQVUBMCTQ-XWIASGKRSA-N -1 0 376.456 0.520 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598804192 996168487 /nfs/dbraw/zinc/16/84/87/996168487.db2.gz SUJZMOKGGPBHHQ-GHMZBOCLSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@H]1CCc2sc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)nc2C1 ZINC001598804182 996168661 /nfs/dbraw/zinc/16/86/61/996168661.db2.gz SSSDZSQNYRYTEO-VHSXEESVSA-N -1 0 395.437 0.683 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593699014 996168756 /nfs/dbraw/zinc/16/87/56/996168756.db2.gz KSWBQGICTULZJX-RISCZKNCSA-N -1 0 397.453 0.177 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCSC[C@@H]2C2CC2)C[C@@H]1C(=O)[O-] ZINC001598804357 996170382 /nfs/dbraw/zinc/17/03/82/996170382.db2.gz UQGRWJNLRLPUAN-YNEHKIRRSA-N -1 0 384.454 0.063 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C[C@H]1C(=O)[O-] ZINC001598804499 996171670 /nfs/dbraw/zinc/17/16/70/996171670.db2.gz ANXYXARHKNZSGF-ZLKJLUDKSA-N -1 0 378.356 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598804788 996174497 /nfs/dbraw/zinc/17/44/97/996174497.db2.gz BNRABLBJWKLLQW-FDYHWXHSSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598805361 996180476 /nfs/dbraw/zinc/18/04/76/996180476.db2.gz BLHNAXSMNFRDOW-SDDRHHMPSA-N -1 0 387.433 0.662 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)C[C@H]1C(=O)[O-] ZINC001598805366 996181095 /nfs/dbraw/zinc/18/10/95/996181095.db2.gz DEERBWYUWXMIOD-CHWSQXEVSA-N -1 0 391.355 0.641 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)C[C@H]1C(=O)[O-] ZINC001598805369 996181231 /nfs/dbraw/zinc/18/12/31/996181231.db2.gz DEERBWYUWXMIOD-OLZOCXBDSA-N -1 0 391.355 0.641 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598805499 996181907 /nfs/dbraw/zinc/18/19/07/996181907.db2.gz DLACJFABWVLHNT-KWCYVHTRSA-N -1 0 392.383 0.819 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598805500 996181911 /nfs/dbraw/zinc/18/19/11/996181911.db2.gz DLACJFABWVLHNT-MRVWCRGKSA-N -1 0 392.383 0.819 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593703778 996181985 /nfs/dbraw/zinc/18/19/85/996181985.db2.gz VETHSXXGZCQMHD-SNVBAGLBSA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H]1C(=O)[O-] ZINC001598805622 996183248 /nfs/dbraw/zinc/18/32/48/996183248.db2.gz FFZRTTBPPPCOFZ-UTUOFQBUSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805598 996183351 /nfs/dbraw/zinc/18/33/51/996183351.db2.gz FDNBOVJUJUTHFH-XHSDSOJGSA-N -1 0 388.420 0.552 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@@H]1C(=O)[O-] ZINC001598805620 996183370 /nfs/dbraw/zinc/18/33/70/996183370.db2.gz FFZRTTBPPPCOFZ-TUAOUCFPSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598805969 996186768 /nfs/dbraw/zinc/18/67/68/996186768.db2.gz GCVPHSMVYVORSP-OAGGEKHMSA-N -1 0 375.425 0.768 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(Cn3ccnc3)c2)C[C@@H]1C(=O)[O-] ZINC001598806257 996189558 /nfs/dbraw/zinc/18/95/58/996189558.db2.gz COJVFAJLQIBIKI-HOTGVXAUSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C[C@@H]1C(=O)[O-] ZINC001598806374 996190876 /nfs/dbraw/zinc/19/08/76/996190876.db2.gz HDIGAQHKTXGXAS-WDMOLILDSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806684 996193579 /nfs/dbraw/zinc/19/35/79/996193579.db2.gz INMVLQHBNRTVQN-NWDGAFQWSA-N -1 0 385.413 0.457 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806646 996193633 /nfs/dbraw/zinc/19/36/33/996193633.db2.gz IEAZYIALVLAWOD-XHSDSOJGSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598806692 996193674 /nfs/dbraw/zinc/19/36/74/996193674.db2.gz ISXFKNIZSVBHAT-QLFBSQMISA-N -1 0 397.449 0.537 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598806713 996194107 /nfs/dbraw/zinc/19/41/07/996194107.db2.gz FIDUMIPDLLTZEJ-CHWSQXEVSA-N -1 0 394.380 0.497 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)C[C@@H]1C(=O)[O-] ZINC001598806949 996196219 /nfs/dbraw/zinc/19/62/19/996196219.db2.gz JHPHUEUGBGPEMO-TUAOUCFPSA-N -1 0 398.437 0.463 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598807223 996198685 /nfs/dbraw/zinc/19/86/85/996198685.db2.gz HUBUHQMBSTZXPZ-ABZJQCSKSA-N -1 0 385.417 0.583 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCn2cc(Br)cn2)C[C@@H]1C(=O)[O-] ZINC001598807444 996200291 /nfs/dbraw/zinc/20/02/91/996200291.db2.gz IZPBYCFQEMNFBZ-UWVGGRQHSA-N -1 0 389.206 0.161 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@@H]1C(=O)[O-] ZINC001598807515 996200939 /nfs/dbraw/zinc/20/09/39/996200939.db2.gz BDDQRGRDJRNGFC-ZUDIRPEPSA-N -1 0 399.469 0.044 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)C[C@@H]1C(=O)[O-] ZINC001598807514 996200951 /nfs/dbraw/zinc/20/09/51/996200951.db2.gz BDDQRGRDJRNGFC-XJBAAKRRSA-N -1 0 399.469 0.044 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598807640 996202110 /nfs/dbraw/zinc/20/21/10/996202110.db2.gz MLKYBXZIQZCHKE-AGKHESDQSA-N -1 0 388.392 0.668 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCOc2ccccc2OC)C[C@@H]1C(=O)[O-] ZINC001598807620 996202361 /nfs/dbraw/zinc/20/23/61/996202361.db2.gz JCGJEJOUKPITDG-QWHCGFSZSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)C[C@H]1C(=O)[O-] ZINC001598807852 996203835 /nfs/dbraw/zinc/20/38/35/996203835.db2.gz NPAOXZFCSNLJIY-ZACQAIPSSA-N -1 0 389.452 0.307 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC001598807828 996204039 /nfs/dbraw/zinc/20/40/39/996204039.db2.gz BVCCPHJCZJNHAB-NEPJUHHUSA-N -1 0 375.381 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC001598807961 996205102 /nfs/dbraw/zinc/20/51/02/996205102.db2.gz LXIUUOWDHAPWFB-MGPQQGTHSA-N -1 0 396.444 0.182 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598808080 996205437 /nfs/dbraw/zinc/20/54/37/996205437.db2.gz KXOSOVPMPIUGKZ-YFONVMMFSA-N -1 0 382.438 0.451 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCN2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808082 996205817 /nfs/dbraw/zinc/20/58/17/996205817.db2.gz KYCQJKOCHNNWRU-CABCVRRESA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc3c([nH]c2=O)CCCC3)C[C@H]1C(=O)[O-] ZINC001598808051 996205873 /nfs/dbraw/zinc/20/58/73/996205873.db2.gz KPPBOZCZNOIWCU-OLZOCXBDSA-N -1 0 377.397 0.681 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808969 996213758 /nfs/dbraw/zinc/21/37/58/996213758.db2.gz QKNGYRIOXACAKS-XHSDSOJGSA-N -1 0 388.420 0.818 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C[C@H]1C(=O)[O-] ZINC001598809086 996214785 /nfs/dbraw/zinc/21/47/85/996214785.db2.gz QQRBDQAYAGZTOF-RBSFLKMASA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)C[C@H]1C(=O)[O-] ZINC001598809090 996214835 /nfs/dbraw/zinc/21/48/35/996214835.db2.gz QQRBDQAYAGZTOF-RRFJBIMHSA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C3(C)OCCO3)cc2)C[C@H]1C(=O)[O-] ZINC001598809358 996217366 /nfs/dbraw/zinc/21/73/66/996217366.db2.gz PZCYPUUEWRHAPA-HUUCEWRRSA-N -1 0 392.408 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598809578 996219242 /nfs/dbraw/zinc/21/92/42/996219242.db2.gz SOHBACOMKUEEAP-TYUFSLCMSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)C[C@H]1C(=O)[O-] ZINC001598809722 996220534 /nfs/dbraw/zinc/22/05/34/996220534.db2.gz QTSYKEHBRBRHRO-NEPJUHHUSA-N -1 0 381.360 0.071 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598809947 996222115 /nfs/dbraw/zinc/22/21/15/996222115.db2.gz RRWIADDYTPDPFK-FRRDWIJNSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598809948 996222217 /nfs/dbraw/zinc/22/22/17/996222217.db2.gz RRWIADDYTPDPFK-JHJVBQTASA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598810000 996223172 /nfs/dbraw/zinc/22/31/72/996223172.db2.gz JKAPRIHACHADDL-NWANDNLSSA-N -1 0 376.409 0.976 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C[C@@H]1C(=O)[O-] ZINC001598810137 996224597 /nfs/dbraw/zinc/22/45/97/996224597.db2.gz RYZZDJMZGXXCCA-STQMWFEESA-N -1 0 388.380 0.794 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598810498 996227206 /nfs/dbraw/zinc/22/72/06/996227206.db2.gz LJEFRJJKQQCGRP-OLZOCXBDSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598810500 996227484 /nfs/dbraw/zinc/22/74/84/996227484.db2.gz LJEFRJJKQQCGRP-STQMWFEESA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598810552 996227885 /nfs/dbraw/zinc/22/78/85/996227885.db2.gz WHNDJZZLFMCKKP-ZMLRMANQSA-N -1 0 388.380 0.013 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598810621 996228748 /nfs/dbraw/zinc/22/87/48/996228748.db2.gz USDWJMUGLLFZFZ-LPWJVIDDSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C[C@@H]1C(=O)[O-] ZINC001598810684 996228816 /nfs/dbraw/zinc/22/88/16/996228816.db2.gz XBRMDLCUSJLTOF-QLFBSQMISA-N -1 0 389.408 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)C[C@H]1C(=O)[O-] ZINC001598810707 996229144 /nfs/dbraw/zinc/22/91/44/996229144.db2.gz XFEXDEKMVSMOMR-PJIJBLCYSA-N -1 0 375.377 0.799 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598810845 996230231 /nfs/dbraw/zinc/23/02/31/996230231.db2.gz LXOFWVGTPJGKIY-CABCVRRESA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C[C@H]1C(=O)[O-] ZINC001598811087 996232027 /nfs/dbraw/zinc/23/20/27/996232027.db2.gz YNZYYNKMZDGYFK-IJWDBEHRSA-N -1 0 386.364 0.390 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598811041 996232234 /nfs/dbraw/zinc/23/22/34/996232234.db2.gz XTTKXUAPFNLNLD-QJPTWQEYSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C[C@@H]1C(=O)[O-] ZINC001598811114 996232736 /nfs/dbraw/zinc/23/27/36/996232736.db2.gz WMGGMGGJRNMUHM-UWVGGRQHSA-N -1 0 381.335 0.955 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598811690 996237280 /nfs/dbraw/zinc/23/72/80/996237280.db2.gz BHXUFWKIMHWLOB-VXGBXAGGSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598811832 996238425 /nfs/dbraw/zinc/23/84/25/996238425.db2.gz ZVFYGGQMYZHLCA-STQMWFEESA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598811938 996239048 /nfs/dbraw/zinc/23/90/48/996239048.db2.gz OQPHCAYFXMQFKH-CHWSQXEVSA-N -1 0 393.392 0.999 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598812017 996240127 /nfs/dbraw/zinc/24/01/27/996240127.db2.gz YAEALEAJVYUELQ-OPRDCNLKSA-N -1 0 378.307 0.502 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598812423 996242860 /nfs/dbraw/zinc/24/28/60/996242860.db2.gz ZFLFDKVPDUJKHF-UONOGXRCSA-N -1 0 377.397 0.404 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C[C@H]1C(=O)[O-] ZINC001598812545 996244231 /nfs/dbraw/zinc/24/42/31/996244231.db2.gz QOCCVUDPVIPCQM-NEPJUHHUSA-N -1 0 380.363 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598813071 996247936 /nfs/dbraw/zinc/24/79/36/996247936.db2.gz RZKDPPHPCAMOLU-RYUDHWBXSA-N -1 0 388.380 0.015 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598813113 996248318 /nfs/dbraw/zinc/24/83/18/996248318.db2.gz SKCKAMBUHDNJJO-UWVGGRQHSA-N -1 0 394.371 0.869 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598813112 996248402 /nfs/dbraw/zinc/24/84/02/996248402.db2.gz SKCKAMBUHDNJJO-NXEZZACHSA-N -1 0 394.371 0.869 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598813117 996248447 /nfs/dbraw/zinc/24/84/47/996248447.db2.gz SKCKAMBUHDNJJO-ZJUUUORDSA-N -1 0 394.371 0.869 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001598813205 996248993 /nfs/dbraw/zinc/24/89/93/996248993.db2.gz TZWJNZUDMWOEFJ-OLZOCXBDSA-N -1 0 387.392 0.620 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2OC)C[C@H]1C(=O)[O-] ZINC001598813632 996251173 /nfs/dbraw/zinc/25/11/73/996251173.db2.gz VYCLKBQVKBCQQK-OLZOCXBDSA-N -1 0 395.408 0.977 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2c(Br)nc3n2CCC3)C[C@H]1C(=O)[O-] ZINC001598814988 996262241 /nfs/dbraw/zinc/26/22/41/996262241.db2.gz NYMWAEUDMJLZRL-HTQZYQBOSA-N -1 0 386.202 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)C[C@@H]1C(=O)[O-] ZINC001598816210 996272605 /nfs/dbraw/zinc/27/26/05/996272605.db2.gz QSMAABISFKWNHO-BFHYXJOUSA-N -1 0 375.381 0.975 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C[C@H]1C(=O)[O-] ZINC001598816203 996273146 /nfs/dbraw/zinc/27/31/46/996273146.db2.gz QFHLFLZPSRUQSW-KGLIPLIRSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598816688 996277915 /nfs/dbraw/zinc/27/79/15/996277915.db2.gz SXHBLUWPGLKREM-KXNHARMFSA-N -1 0 386.401 0.001 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1Cc1cc(C(=O)[O-])ccc1Br ZINC001598816928 996280525 /nfs/dbraw/zinc/28/05/25/996280525.db2.gz FFRWPZWVOLOYTA-GFCCVEGCSA-N -1 0 385.214 0.963 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001598817579 996286875 /nfs/dbraw/zinc/28/68/75/996286875.db2.gz GYNVQIWXOPXQAX-JTQLQIEISA-N -1 0 383.426 0.256 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598817909 996290793 /nfs/dbraw/zinc/29/07/93/996290793.db2.gz WTLDRQLWJBQXOD-VWYCJHECSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccn(-c3ncccc3F)n2)C[C@H]1C(=O)[O-] ZINC001598818352 996295827 /nfs/dbraw/zinc/29/58/27/996295827.db2.gz YTDOVOROIRVYMS-ZJUUUORDSA-N -1 0 377.332 0.744 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598818648 996299372 /nfs/dbraw/zinc/29/93/72/996299372.db2.gz YUQCEJRLQXVDFF-LSDHHAIUSA-N -1 0 391.424 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@@H]1C(=O)[O-] ZINC001598819775 996312535 /nfs/dbraw/zinc/31/25/35/996312535.db2.gz UXPHYHREDJNXNG-DTWKUNHWSA-N -1 0 390.801 0.084 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001598819787 996312598 /nfs/dbraw/zinc/31/25/98/996312598.db2.gz PZCDMQRGDQJHDE-SNVBAGLBSA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H](C)c2nc(C)cc(N3CCO[C@@H](C(=O)[O-])C3)n2)CCO1 ZINC001598819891 996313518 /nfs/dbraw/zinc/31/35/18/996313518.db2.gz QKKJCRDPSUEFDY-MJBXVCDLSA-N -1 0 394.428 0.010 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001598820138 996316323 /nfs/dbraw/zinc/31/63/23/996316323.db2.gz RSRKJLFYBWURQI-LBPRGKRZSA-N -1 0 388.417 0.178 20 0 GCADRM COC(=O)[C@@H]1CN([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598820852 996324751 /nfs/dbraw/zinc/32/47/51/996324751.db2.gz VDTQVWIAMTYOAU-CWSCBRNRSA-N -1 0 382.319 0.402 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC001598821249 996329857 /nfs/dbraw/zinc/32/98/57/996329857.db2.gz ZNKKWGRJFYKVBG-NEPJUHHUSA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001598821302 996330334 /nfs/dbraw/zinc/33/03/34/996330334.db2.gz XWMADOBSZWBKRT-ZDUSSCGKSA-N -1 0 376.475 0.388 20 0 GCADRM C[C@H](c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C[C@H]1CCOC1)C(C)(C)O ZINC001593737396 996335017 /nfs/dbraw/zinc/33/50/17/996335017.db2.gz GRXSOLIONZGYLK-MCIONIFRSA-N -1 0 382.461 0.869 20 0 GCADRM COC(=O)[C@H]1CN(CN2C(=O)C(=O)c3c2c(F)ccc3Cl)C[C@@H]1C(=O)[O-] ZINC001598821723 996335802 /nfs/dbraw/zinc/33/58/02/996335802.db2.gz LXAIYBALNFVAMC-YUMQZZPRSA-N -1 0 384.747 0.772 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1C(=O)[O-] ZINC001598822283 996341690 /nfs/dbraw/zinc/34/16/90/996341690.db2.gz PFBHDLFKPHTMGB-HTQZYQBOSA-N -1 0 397.185 0.438 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccccc2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598822266 996341920 /nfs/dbraw/zinc/34/19/20/996341920.db2.gz PBGLIODPBYSFKY-JKSUJKDBSA-N -1 0 376.409 0.465 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](Cc2ccccc2)OC)C[C@H]1C(=O)[O-] ZINC001598822958 996350088 /nfs/dbraw/zinc/35/00/88/996350088.db2.gz ANYNHSJRDRBLIN-RBSFLKMASA-N -1 0 385.438 0.380 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@H]1C(=O)[O-] ZINC001598823366 996355258 /nfs/dbraw/zinc/35/52/58/996355258.db2.gz CFAMJGPEBDWYSN-CHWSQXEVSA-N -1 0 394.405 0.331 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C[C@@H]1C(=O)OC ZINC001598823868 996360332 /nfs/dbraw/zinc/36/03/32/996360332.db2.gz DOGQTBPOVCIUOW-RYUDHWBXSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@H]1C(=O)[O-] ZINC001598824347 996365739 /nfs/dbraw/zinc/36/57/39/996365739.db2.gz GORLIGOUZTWJDV-VXGBXAGGSA-N -1 0 377.426 0.776 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001598824767 996370413 /nfs/dbraw/zinc/37/04/13/996370413.db2.gz JQTVAKBDPBTLJE-QMMMGPOBSA-N -1 0 381.378 0.942 20 0 GCADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001598825480 996377250 /nfs/dbraw/zinc/37/72/50/996377250.db2.gz NUENFZWEFPDBOB-JTQLQIEISA-N -1 0 377.346 0.095 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)Cc2ccccc21 ZINC001598825736 996380338 /nfs/dbraw/zinc/38/03/38/996380338.db2.gz LGXWQQHUFLKXNU-OAHLLOKOSA-N -1 0 382.438 0.800 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC001598825716 996380345 /nfs/dbraw/zinc/38/03/45/996380345.db2.gz KVYGTOUTVQAFBW-NSHDSACASA-N -1 0 397.327 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598826594 996389403 /nfs/dbraw/zinc/38/94/03/996389403.db2.gz JKVSRTJFHNCYEU-HTQZYQBOSA-N -1 0 383.209 0.883 20 0 GCADRM C[C@]1(C(=O)NC[C@@H](O)CC(=O)[O-])C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001593749704 996390096 /nfs/dbraw/zinc/39/00/96/996390096.db2.gz SSTJBYCAZMOWEW-SUNYJGFJSA-N -1 0 380.397 0.100 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598827055 996394251 /nfs/dbraw/zinc/39/42/51/996394251.db2.gz PDXREZDRYXBJSJ-QWRGUYRKSA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(CN2CCN(Cc3ccccc3F)C2=O)C[C@H]1C(=O)[O-] ZINC001598827254 996395789 /nfs/dbraw/zinc/39/57/89/996395789.db2.gz JUUPNHDQQHQSBL-ZIAGYGMSSA-N -1 0 379.388 0.826 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598827496 996399084 /nfs/dbraw/zinc/39/90/84/996399084.db2.gz RFNHSKUWMJOUHT-DNLDONJPSA-N -1 0 390.439 0.194 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@H]1C(=O)[O-] ZINC001598828030 996405956 /nfs/dbraw/zinc/40/59/56/996405956.db2.gz USOANWDZLVPUTI-NEPJUHHUSA-N -1 0 385.394 0.342 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C[C@H]1C(=O)[O-] ZINC001598828096 996406427 /nfs/dbraw/zinc/40/64/27/996406427.db2.gz VRACGOLBVXLIJR-GHMZBOCLSA-N -1 0 388.373 0.278 20 0 GCADRM C[C@@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001593756233 996406907 /nfs/dbraw/zinc/40/69/07/996406907.db2.gz JIENPCPDWDLWKB-GJRWTSMGSA-N -1 0 376.409 0.985 20 0 GCADRM C[C@@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001593756234 996406913 /nfs/dbraw/zinc/40/69/13/996406913.db2.gz JIENPCPDWDLWKB-GPINWOSQSA-N -1 0 376.409 0.985 20 0 GCADRM COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598828412 996409606 /nfs/dbraw/zinc/40/96/06/996409606.db2.gz CECVGRRXAFWMDU-INIZCTEOSA-N -1 0 386.360 0.682 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)C[C@H]1C(=O)[O-] ZINC001598828586 996411848 /nfs/dbraw/zinc/41/18/48/996411848.db2.gz RINSAJLHOJUANC-ZIAGYGMSSA-N -1 0 382.438 0.169 20 0 GCADRM COC(=O)[C@H]1CN(c2nnc(C(C)(C)c3nccs3)n2C)C[C@H]1C(=O)[O-] ZINC001598828789 996413181 /nfs/dbraw/zinc/41/31/81/996413181.db2.gz SJZWDFBLODXGFD-ZJUUUORDSA-N -1 0 379.442 0.908 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598829737 996423282 /nfs/dbraw/zinc/42/32/82/996423282.db2.gz KOIRCKQJDIEZSS-WQVCFCJDSA-N -1 0 376.409 0.287 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@H]1C(=O)[O-] ZINC001598830026 996426420 /nfs/dbraw/zinc/42/64/20/996426420.db2.gz WUNPKJUMFRKFGW-RKDXNWHRSA-N -1 0 394.352 0.220 20 0 GCADRM COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001598830366 996430183 /nfs/dbraw/zinc/43/01/83/996430183.db2.gz IFTAILHLPJEQIX-ORAHPGNNSA-N -1 0 391.373 0.591 20 0 GCADRM COC(=O)[C@@H]1CN(c2cc(C)nc([C@@H](C)N3CCO[C@H](C(=O)[O-])C3)n2)CCO1 ZINC001598830514 996431374 /nfs/dbraw/zinc/43/13/74/996431374.db2.gz YGBMWOSBXQVSAF-RDBSUJKOSA-N -1 0 394.428 0.010 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001593762775 996434019 /nfs/dbraw/zinc/43/40/19/996434019.db2.gz SPUOIWVNFGSHRA-GOSISDBHSA-N -1 0 380.445 0.060 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001598830833 996434950 /nfs/dbraw/zinc/43/49/50/996434950.db2.gz PHNOHEAQXSOHDA-ULQDDVLXSA-N -1 0 390.436 0.677 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3ccnc(F)c3)CC2)C1 ZINC001593763078 996436296 /nfs/dbraw/zinc/43/62/96/996436296.db2.gz ZKVRJMWRGRLQLN-GOSISDBHSA-N -1 0 378.404 0.583 20 0 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CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])c1 ZINC000547901198 531106403 /nfs/dbraw/zinc/10/64/03/531106403.db2.gz PNCHHINDUGDOME-LLVKDONJSA-N -1 0 378.472 0.907 20 0 GCADRM COC(=O)CCN(C)S(=O)(=O)N(Cc1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000547901942 531106425 /nfs/dbraw/zinc/10/64/25/531106425.db2.gz LKKXVOBBPJYTFL-LLVKDONJSA-N -1 0 376.406 0.841 20 0 GCADRM NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000547911170 531106753 /nfs/dbraw/zinc/10/67/53/531106753.db2.gz IHRBXXZGNKVAAX-ZDUSSCGKSA-N -1 0 388.398 0.577 20 0 GCADRM CCCSC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000547918352 531106777 /nfs/dbraw/zinc/10/67/77/531106777.db2.gz TXYRUGNUPNODNJ-NSHDSACASA-N -1 0 382.485 0.209 20 0 GCADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000547911909 531106813 /nfs/dbraw/zinc/10/68/13/531106813.db2.gz ZCKGQAMQNMNRNM-ZDUSSCGKSA-N -1 0 390.845 0.526 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1F ZINC000547913222 531106865 /nfs/dbraw/zinc/10/68/65/531106865.db2.gz KUMOQIXIHUNVNJ-GFCCVEGCSA-N -1 0 382.435 0.200 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H]1C(=O)[O-] ZINC000547916947 531107001 /nfs/dbraw/zinc/10/70/01/531107001.db2.gz PUMHTAPCNLSBBY-GXFFZTMASA-N -1 0 376.456 0.421 20 0 GCADRM CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667755701 531107170 /nfs/dbraw/zinc/10/71/70/531107170.db2.gz AUELCUWLQSVOEK-LBPRGKRZSA-N -1 0 387.483 0.423 20 0 GCADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1 ZINC000667701430 531107220 /nfs/dbraw/zinc/10/72/20/531107220.db2.gz YNYPSTLXQGDPBD-LBPRGKRZSA-N -1 0 385.467 0.177 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000547930767 531107261 /nfs/dbraw/zinc/10/72/61/531107261.db2.gz MERFTBNJQMNAGP-KBPBESRZSA-N -1 0 390.483 0.198 20 0 GCADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)cc1 ZINC000547931133 531107432 /nfs/dbraw/zinc/10/74/32/531107432.db2.gz YMYJMBFLPPNYBF-UHFFFAOYSA-N -1 0 380.411 0.111 20 0 GCADRM COc1cc(F)c(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])cc1OC ZINC000547930110 531107458 /nfs/dbraw/zinc/10/74/58/531107458.db2.gz YQXBRPXFYHBDHN-WBNWAKSLSA-N -1 0 381.403 0.049 20 0 GCADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000547928924 531107470 /nfs/dbraw/zinc/10/74/70/531107470.db2.gz HLXJAGKZHXNMOY-RZFZLAGVSA-N -1 0 386.451 0.168 20 0 GCADRM O=C([O-])[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1sccc1Br ZINC000547928998 531107492 /nfs/dbraw/zinc/10/74/92/531107492.db2.gz ONYSWBFBHXZEKA-MDTSDYNXSA-N -1 0 388.286 0.717 20 0 GCADRM Cn1cc(S(=O)(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1C(N)=O ZINC000547936886 531107896 /nfs/dbraw/zinc/10/78/96/531107896.db2.gz PLHWAIAYWKRRTN-LBPRGKRZSA-N -1 0 385.829 0.752 20 0 GCADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CCC2)c1 ZINC000547939175 531108013 /nfs/dbraw/zinc/10/80/13/531108013.db2.gz ZVXAMDOSOTVBDY-ZDUSSCGKSA-N -1 0 376.456 0.469 20 0 GCADRM COC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000429481648 531108343 /nfs/dbraw/zinc/10/83/43/531108343.db2.gz QJDDETSFFVHYRT-NSHDSACASA-N -1 0 385.423 0.208 20 0 GCADRM Cc1nn2cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cnc2c1Cl ZINC000548028556 531108467 /nfs/dbraw/zinc/10/84/67/531108467.db2.gz BDTOSFPORFTPDO-CYBMUJFWSA-N -1 0 376.822 0.443 20 0 GCADRM O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N[C@@H]1CNC(=O)C1 ZINC000429776736 531109929 /nfs/dbraw/zinc/10/99/29/531109929.db2.gz SQTRLBFQNPWHRW-JTQLQIEISA-N -1 0 381.439 0.954 20 0 GCADRM CC1CCN(S(=O)(=O)N[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])CC1 ZINC000548209664 531111624 /nfs/dbraw/zinc/11/16/24/531111624.db2.gz UBLNFBBANNFCLF-SNVBAGLBSA-N -1 0 384.380 0.921 20 0 GCADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000548220129 531111775 /nfs/dbraw/zinc/11/17/75/531111775.db2.gz ZLLNMOWMDOYLJZ-BXKDBHETSA-N -1 0 394.496 0.474 20 0 GCADRM CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](Cc2ccco2)C(=O)[O-])s1 ZINC000548222610 531111789 /nfs/dbraw/zinc/11/17/89/531111789.db2.gz MQRNGYRCMGOTTB-CYBMUJFWSA-N -1 0 386.451 0.994 20 0 GCADRM COC[C@H](NS(=O)(=O)c1cccc(I)c1)C(=O)[O-] ZINC000548214483 531111808 /nfs/dbraw/zinc/11/18/08/531111808.db2.gz NVLAKYBHMQBBEW-VIFPVBQESA-N -1 0 385.179 0.669 20 0 GCADRM COC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC000548223685 531111934 /nfs/dbraw/zinc/11/19/34/531111934.db2.gz PXGWVPKTQREBMV-SNVBAGLBSA-N -1 0 384.332 0.357 20 0 GCADRM Cn1cc(C[C@@H](CNS(=O)(=O)c2cccc3nsnc32)C(=O)[O-])cn1 ZINC000548216072 531111940 /nfs/dbraw/zinc/11/19/40/531111940.db2.gz CXTATKCBKCWDQH-JTQLQIEISA-N -1 0 381.439 0.647 20 0 GCADRM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N[C@@H](COC)C(=O)[O-])c1 ZINC000548215405 531111944 /nfs/dbraw/zinc/11/19/44/531111944.db2.gz MXBTXMQOWPKWER-JTQLQIEISA-N -1 0 379.362 0.389 20 0 GCADRM NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000548214626 531112154 /nfs/dbraw/zinc/11/21/54/531112154.db2.gz PLFSSXHAACRHDW-ZDUSSCGKSA-N -1 0 388.398 0.577 20 0 GCADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000548219387 531112160 /nfs/dbraw/zinc/11/21/60/531112160.db2.gz MQHBXABCCMFFSN-NSHDSACASA-N -1 0 378.472 0.809 20 0 GCADRM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(F)(F)F ZINC000551997195 531140705 /nfs/dbraw/zinc/14/07/05/531140705.db2.gz UKTKTCSZHNMABZ-VIFPVBQESA-N -1 0 380.344 0.904 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1Br ZINC000548242066 531112435 /nfs/dbraw/zinc/11/24/35/531112435.db2.gz YGVICSKIYYXTRI-JTQLQIEISA-N -1 0 379.232 0.755 20 0 GCADRM C[C@H]1CC[C@](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)(CC(=O)[O-])C1 ZINC000548229041 531112521 /nfs/dbraw/zinc/11/25/21/531112521.db2.gz PDYUVFUZZVRKGC-XHDPSFHLSA-N -1 0 390.483 0.893 20 0 GCADRM COC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)[O-] ZINC000548227569 531112615 /nfs/dbraw/zinc/11/26/15/531112615.db2.gz QZDHHSQPELDSCV-SNVBAGLBSA-N -1 0 384.332 0.357 20 0 GCADRM C[C@@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)[C@@H]1C(=O)[O-] ZINC000548245448 531113139 /nfs/dbraw/zinc/11/31/39/531113139.db2.gz QHKUUAPODBKSCR-PELKAZGASA-N -1 0 380.419 0.681 20 0 GCADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000548253071 531113336 /nfs/dbraw/zinc/11/33/36/531113336.db2.gz BTWAGVFYSVVOKG-MGPQQGTHSA-N -1 0 394.515 0.317 20 0 GCADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000548247848 531113364 /nfs/dbraw/zinc/11/33/64/531113364.db2.gz ANIMWGYGXOATOU-SSDOTTSWSA-N -1 0 378.790 0.885 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000548262555 531113751 /nfs/dbraw/zinc/11/37/51/531113751.db2.gz JBKFFINAVYEYFL-ZDUSSCGKSA-N -1 0 378.472 0.288 20 0 GCADRM CCn1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C(N)=O)n1 ZINC000430979012 531113990 /nfs/dbraw/zinc/11/39/90/531113990.db2.gz MTACYKJWTQFKTL-UHFFFAOYSA-N -1 0 383.817 0.951 20 0 GCADRM CCC[C@H](O)[C@@H](NS(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)[O-] ZINC000548265685 531114234 /nfs/dbraw/zinc/11/42/34/531114234.db2.gz GZXOPNHNWCKDIH-CMPLNLGQSA-N -1 0 376.431 0.701 20 0 GCADRM CCC[C@@H](O)[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(=O)[O-] ZINC000548266134 531114441 /nfs/dbraw/zinc/11/44/41/531114441.db2.gz QQJQNJIQPSXFOO-MFKMUULPSA-N -1 0 375.399 0.374 20 0 GCADRM O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000548526133 531117135 /nfs/dbraw/zinc/11/71/35/531117135.db2.gz UELCLWRWXOSYOZ-UHFFFAOYSA-N -1 0 391.652 0.643 20 0 GCADRM CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1 ZINC000673465154 531117402 /nfs/dbraw/zinc/11/74/02/531117402.db2.gz OWPUPGMKQZUHHM-UHFFFAOYSA-N -1 0 388.471 0.365 20 0 GCADRM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1n[nH]cc1C(N)=O ZINC000673481071 531117672 /nfs/dbraw/zinc/11/76/72/531117672.db2.gz HOHCVGGZRWTEAV-UHFFFAOYSA-N -1 0 387.805 0.930 20 0 GCADRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548536796 531117837 /nfs/dbraw/zinc/11/78/37/531117837.db2.gz UTALYPMYUTZCAQ-FZMZJTMJSA-N -1 0 391.467 0.475 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)oc1C ZINC000431831792 531118134 /nfs/dbraw/zinc/11/81/34/531118134.db2.gz HPNWFHGRKSSRNK-UHFFFAOYSA-N -1 0 389.411 0.791 20 0 GCADRM O=C([O-])c1csc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)n1 ZINC000548535013 531118234 /nfs/dbraw/zinc/11/82/34/531118234.db2.gz QUHKUHHTYODDIJ-UHFFFAOYSA-N -1 0 382.379 0.674 20 0 GCADRM CCC[C@](C)(NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000572479746 531118326 /nfs/dbraw/zinc/11/83/26/531118326.db2.gz HKXDBQUWHJMGHP-AWEZNQCLSA-N -1 0 378.472 0.859 20 0 GCADRM Cn1cc(S(=O)(=O)NCC(C)(C)C(=O)[O-])cc1C(=O)NCC(F)(F)F ZINC000548554413 531118408 /nfs/dbraw/zinc/11/84/08/531118408.db2.gz NQLWVMUXGCXMNX-UHFFFAOYSA-N -1 0 385.364 0.706 20 0 GCADRM COC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000548551326 531118497 /nfs/dbraw/zinc/11/84/97/531118497.db2.gz PWAMXOQYIUKQPR-QMMMGPOBSA-N -1 0 386.195 0.975 20 0 GCADRM CC(C)CCS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000548545325 531118590 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1194474952 /nfs/dbraw/zinc/47/49/52/1194474952.db2.gz DGYROVQGQZWHEV-UHFFFAOYSA-N -1 0 387.440 0.608 20 0 GCADRM COc1cc(C(=O)N(C)CC(C)(CO)CO)cc([N-]S(C)(=O)=O)c1OC ZINC000272729862 1194492819 /nfs/dbraw/zinc/49/28/19/1194492819.db2.gz JUVYJRVOKSPJRG-UHFFFAOYSA-N -1 0 390.458 0.138 20 0 GCADRM O=Cc1ccc(OCCn2cc(C(=O)[N-]N3CCCNC3=O)nn2)c(Cl)c1 ZINC000272986720 1194527544 /nfs/dbraw/zinc/52/75/44/1194527544.db2.gz VYCGDLDNJQMREU-UHFFFAOYSA-N -1 0 392.803 0.883 20 0 GCADRM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000272994475 1194528502 /nfs/dbraw/zinc/52/85/02/1194528502.db2.gz YCKYZOYRZYKFTB-UHFFFAOYSA-N -1 0 383.382 0.890 20 0 GCADRM CNC(=O)[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCO1 ZINC000273076996 1194537069 /nfs/dbraw/zinc/53/70/69/1194537069.db2.gz GSKQTZCGGPYPHB-ZDUSSCGKSA-N -1 0 376.438 0.049 20 0 GCADRM CCN1CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)CC1=O ZINC000273333018 1194555355 /nfs/dbraw/zinc/55/53/55/1194555355.db2.gz UQOKAKAKROQLMC-UHFFFAOYSA-N -1 0 385.442 0.380 20 0 GCADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(CO)CO)ccc1C ZINC000273357527 1194557391 /nfs/dbraw/zinc/55/73/91/1194557391.db2.gz VJFQFDFANYIYRH-UHFFFAOYSA-N -1 0 394.449 0.887 20 0 GCADRM COC(=O)[C@H](CO)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000273449467 1194565039 /nfs/dbraw/zinc/56/50/39/1194565039.db2.gz BSNVBHBRIIZESI-ZDUSSCGKSA-N -1 0 398.462 0.742 20 0 GCADRM Cc1nccc(N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)CC2)n1 ZINC000273454850 1194565245 /nfs/dbraw/zinc/56/52/45/1194565245.db2.gz DKBBOTCQEATNEY-INIZCTEOSA-N -1 0 395.419 0.937 20 0 GCADRM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](C)c3nnn[n-]3)C2=O)cc1 ZINC000273511085 1194567592 /nfs/dbraw/zinc/56/75/92/1194567592.db2.gz NRTDASUWKHQYNC-SGTLLEGYSA-N -1 0 385.428 0.537 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@@H](C)c2nnn[n-]2)s1 ZINC000273515773 1194568547 /nfs/dbraw/zinc/56/85/47/1194568547.db2.gz ONRUIUSHQRRMGM-ZYHUDNBSSA-N -1 0 398.514 0.985 20 0 GCADRM C[C@@H](CN(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1nnn[n-]1 ZINC000273573981 1194573357 /nfs/dbraw/zinc/57/33/57/1194573357.db2.gz ZWMMHICWBNTUOA-NSHDSACASA-N -1 0 398.514 0.850 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)NC3CC3)c2)cn1C ZINC000273618308 1194577425 /nfs/dbraw/zinc/57/74/25/1194577425.db2.gz OAAZFTWONXFUJI-UHFFFAOYSA-N -1 0 395.441 0.478 20 0 GCADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@@]12CCCO2 ZINC000273672996 1194582611 /nfs/dbraw/zinc/58/26/11/1194582611.db2.gz ZMTXFMZASBKDOC-HSMVNMDESA-N -1 0 396.425 0.441 20 0 GCADRM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273715991 1194585431 /nfs/dbraw/zinc/58/54/31/1194585431.db2.gz LTPYUPZXHVYNKO-LBPRGKRZSA-N -1 0 384.389 0.943 20 0 GCADRM CCOCCS(=O)(=O)NCc1nc(-c2cccnc2-n2cccn2)no1 ZINC000273759558 1194587860 /nfs/dbraw/zinc/58/78/60/1194587860.db2.gz OLLREEQPPPXGTF-UHFFFAOYSA-N -1 0 378.414 0.773 20 0 GCADRM Cn1c(=O)nc([O-])c2cc(S(=O)(=O)NCc3cn4ccsc4n3)cnc21 ZINC000503205717 1194592467 /nfs/dbraw/zinc/59/24/67/1194592467.db2.gz CUBRBLNPHTUBEE-UHFFFAOYSA-N -1 0 392.422 0.222 20 0 GCADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CCO1 ZINC000422606248 1194673987 /nfs/dbraw/zinc/67/39/87/1194673987.db2.gz RTJGMBKYJBIMOV-CQSZACIVSA-N -1 0 378.381 0.433 20 0 GCADRM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422641801 1194677116 /nfs/dbraw/zinc/67/71/16/1194677116.db2.gz FHFUCHCCFGBYIE-DTWKUNHWSA-N -1 0 397.359 0.035 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000422633930 1194678822 /nfs/dbraw/zinc/67/88/22/1194678822.db2.gz KBGNPFIZFQAWIL-AWEZNQCLSA-N -1 0 377.397 0.323 20 0 GCADRM COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422637474 1194679608 /nfs/dbraw/zinc/67/96/08/1194679608.db2.gz RJMWIYXGUCMZQG-CHWSQXEVSA-N -1 0 391.424 0.713 20 0 GCADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000422660390 1194680057 /nfs/dbraw/zinc/68/00/57/1194680057.db2.gz DHOYUZITOYXWPG-CYBMUJFWSA-N -1 0 397.453 0.563 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C(=O)[O-] ZINC000422660544 1194680276 /nfs/dbraw/zinc/68/02/76/1194680276.db2.gz FFALZXZWZJWEOZ-CQSZACIVSA-N -1 0 385.367 0.965 20 0 GCADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])OCO2 ZINC000422660201 1194680361 /nfs/dbraw/zinc/68/03/61/1194680361.db2.gz CHJLWZUDBKHWPJ-LLVKDONJSA-N -1 0 380.353 0.756 20 0 GCADRM CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000422662614 1194680494 /nfs/dbraw/zinc/68/04/94/1194680494.db2.gz MNTSCIWEBRHLIJ-CQSZACIVSA-N -1 0 379.413 0.756 20 0 GCADRM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)S1(=O)=O ZINC000422643165 1194681043 /nfs/dbraw/zinc/68/10/43/1194681043.db2.gz IMCSMJDKHRYXES-ONGXEEELSA-N -1 0 386.401 0.887 20 0 GCADRM CN(CCCC(=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000422643610 1194681105 /nfs/dbraw/zinc/68/11/05/1194681105.db2.gz JRXVQVSLCRLVHR-UHFFFAOYSA-N -1 0 387.392 0.954 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)N(C)CCC(=O)[O-])cc(OC)cc1OC ZINC000422663224 1194681186 /nfs/dbraw/zinc/68/11/86/1194681186.db2.gz OTUVOHJECFUHKG-UHFFFAOYSA-N -1 0 382.369 0.752 20 0 GCADRM CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422644852 1194681275 /nfs/dbraw/zinc/68/12/75/1194681275.db2.gz NAVYOOVKMIOVIW-YPMHNXCESA-N -1 0 397.453 0.548 20 0 GCADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc21 ZINC000422663268 1194681280 /nfs/dbraw/zinc/68/12/80/1194681280.db2.gz PJDINDGIZMUQDJ-CQSZACIVSA-N -1 0 391.424 0.776 20 0 GCADRM CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000422645442 1194681486 /nfs/dbraw/zinc/68/14/86/1194681486.db2.gz UJEDZHITIKERBC-HNNXBMFYSA-N -1 0 390.440 0.905 20 0 GCADRM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000422648945 1194681522 /nfs/dbraw/zinc/68/15/22/1194681522.db2.gz GIVFESWHROQXJW-LLVKDONJSA-N -1 0 385.442 0.434 20 0 GCADRM CC1(C)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CCS1(=O)=O ZINC000422646656 1194681683 /nfs/dbraw/zinc/68/16/83/1194681683.db2.gz SZUUSDUKYLEURQ-UHFFFAOYSA-N -1 0 386.401 0.888 20 0 GCADRM Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000422654021 1194681981 /nfs/dbraw/zinc/68/19/81/1194681981.db2.gz VVUQZVSMLXXGCF-LBPRGKRZSA-N -1 0 399.469 0.942 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])c(OCC(F)(F)F)c1 ZINC000422650780 1194682287 /nfs/dbraw/zinc/68/22/87/1194682287.db2.gz PAYWVJILFQJRSK-UHFFFAOYSA-N -1 0 392.286 0.944 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)C(=O)[O-] ZINC000422656038 1194682538 /nfs/dbraw/zinc/68/25/38/1194682538.db2.gz AQQKHJXTVRFMMA-LBPRGKRZSA-N -1 0 387.339 0.593 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)C(=O)[O-] ZINC000422654446 1194682731 /nfs/dbraw/zinc/68/27/31/1194682731.db2.gz WTACDHNCSRYNSP-SNVBAGLBSA-N -1 0 377.397 0.986 20 0 GCADRM COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000422659033 1194682952 /nfs/dbraw/zinc/68/29/52/1194682952.db2.gz WOIWHESYHUJACI-ZDUSSCGKSA-N -1 0 379.413 0.951 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000422657749 1194682976 /nfs/dbraw/zinc/68/29/76/1194682976.db2.gz AYORCQFBVHBTOH-LBPRGKRZSA-N -1 0 399.400 0.281 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)C(=O)[O-] ZINC000422657715 1194683038 /nfs/dbraw/zinc/68/30/38/1194683038.db2.gz NJFDPVYBDKQZHX-AWEZNQCLSA-N -1 0 376.413 0.766 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1NS(C)(=O)=O ZINC000422658914 1194683111 /nfs/dbraw/zinc/68/31/11/1194683111.db2.gz WEPDZNUBKGILGX-ZDUSSCGKSA-N -1 0 385.442 0.921 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000422679379 1194683323 /nfs/dbraw/zinc/68/33/23/1194683323.db2.gz UCAINVOZUGABAU-QWHCGFSZSA-N -1 0 383.351 0.730 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000422679440 1194683325 /nfs/dbraw/zinc/68/33/25/1194683325.db2.gz UKIVAWUGHVYVOX-HUUCEWRRSA-N -1 0 391.424 0.850 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000422660015 1194683326 /nfs/dbraw/zinc/68/33/26/1194683326.db2.gz JGGYTTMMCJITHA-ZDUSSCGKSA-N -1 0 383.351 0.816 20 0 GCADRM COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679450 1194683369 /nfs/dbraw/zinc/68/33/69/1194683369.db2.gz UKXJUSQMCJJWIN-GXTWGEPZSA-N -1 0 395.387 0.599 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1=O ZINC000422679428 1194683451 /nfs/dbraw/zinc/68/34/51/1194683451.db2.gz UJNFQOKTDQOCSC-CVEARBPZSA-N -1 0 398.419 1.000 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000422660014 1194683500 /nfs/dbraw/zinc/68/35/00/1194683500.db2.gz JGGYTTMMCJITHA-CYBMUJFWSA-N -1 0 383.351 0.816 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2scnc2C2CC2)C1=O ZINC000422679212 1194683571 /nfs/dbraw/zinc/68/35/71/1194683571.db2.gz SHBMGEJNQOJVON-PWSUYJOCSA-N -1 0 394.453 0.785 20 0 GCADRM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC(N)=O)c1)C(=O)[O-] ZINC000422681512 1194683796 /nfs/dbraw/zinc/68/37/96/1194683796.db2.gz IBDIXGMXYXCSPI-CYBMUJFWSA-N -1 0 379.413 0.885 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422682241 1194683857 /nfs/dbraw/zinc/68/38/57/1194683857.db2.gz ASQYLPIBBWRMOD-CMPLNLGQSA-N -1 0 397.453 0.411 20 0 GCADRM COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422684435 1194684170 /nfs/dbraw/zinc/68/41/70/1194684170.db2.gz DZTJYWFZGOURKG-NEPJUHHUSA-N -1 0 378.381 0.746 20 0 GCADRM CN1C(=O)c2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cc2C1=O ZINC000422683704 1194684208 /nfs/dbraw/zinc/68/42/08/1194684208.db2.gz NGWSAQFGUNNHCU-APBUJDDRSA-N -1 0 385.376 0.564 20 0 GCADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cn1 ZINC000422686079 1194684260 /nfs/dbraw/zinc/68/42/60/1194684260.db2.gz HREFHWSNUUOZCV-NWDGAFQWSA-N -1 0 394.428 0.689 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(O[C@@H]3CC(=O)N3)cc1)C2 ZINC000422686275 1194684585 /nfs/dbraw/zinc/68/45/85/1194684585.db2.gz SXCBIFQQVPYHHI-SVBQJQNYSA-N -1 0 387.392 0.563 20 0 GCADRM Cc1c(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cccc1S(=O)(=O)N(C)C ZINC000422686308 1194684616 /nfs/dbraw/zinc/68/46/16/1194684616.db2.gz TVKNAIUKCDGDCD-KRWDZBQOSA-N -1 0 397.453 0.507 20 0 GCADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422687073 1194684655 /nfs/dbraw/zinc/68/46/55/1194684655.db2.gz IUFHLXRLALQRRA-NEPJUHHUSA-N -1 0 397.453 0.956 20 0 GCADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000422665768 1194684941 /nfs/dbraw/zinc/68/49/41/1194684941.db2.gz BIYXUYIERTYJFJ-OBJOEFQTSA-N -1 0 376.413 0.709 20 0 GCADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2O1 ZINC000422664852 1194684975 /nfs/dbraw/zinc/68/49/75/1194684975.db2.gz UCQYNSGGTJBEGI-DZGCQCFKSA-N -1 0 389.408 0.382 20 0 GCADRM Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])nn1-c1ccc(F)cc1F ZINC000422665190 1194684994 /nfs/dbraw/zinc/68/49/94/1194684994.db2.gz VOVCTJONLRDLIQ-ZDUSSCGKSA-N -1 0 378.335 1.473 20 0 GCADRM COC(=O)c1cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c(OC)c(OC)c1 ZINC000422665544 1194684998 /nfs/dbraw/zinc/68/49/98/1194684998.db2.gz YEVIEUIZISNZHZ-LBPRGKRZSA-N -1 0 382.369 0.654 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC000422665150 1194685031 /nfs/dbraw/zinc/68/50/31/1194685031.db2.gz VIDBYUASCOKEFM-CYBMUJFWSA-N -1 0 395.437 0.450 20 0 GCADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2O1 ZINC000422664853 1194685047 /nfs/dbraw/zinc/68/50/47/1194685047.db2.gz UCQYNSGGTJBEGI-HIFRSBDPSA-N -1 0 389.408 0.382 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000422666802 1194685059 /nfs/dbraw/zinc/68/50/59/1194685059.db2.gz MKOQLZISVBSMSU-HZMBPMFUSA-N -1 0 397.453 0.563 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000422667248 1194685403 /nfs/dbraw/zinc/68/54/03/1194685403.db2.gz SIRDIDBNHQXFGU-LRDDRELGSA-N -1 0 388.424 1.494 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000422667371 1194685467 /nfs/dbraw/zinc/68/54/67/1194685467.db2.gz URYZHFYAMDTOPW-HZMBPMFUSA-N -1 0 397.453 0.681 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(N(C)C)cc1C)[C@@H](C)C(=O)[O-] ZINC000422668406 1194685470 /nfs/dbraw/zinc/68/54/70/1194685470.db2.gz DLJZMHNPSMDBTB-LBPRGKRZSA-N -1 0 378.429 0.437 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)C(=O)[O-] ZINC000422667372 1194685544 /nfs/dbraw/zinc/68/55/44/1194685544.db2.gz USFXNALXRCUAFQ-HZMBPMFUSA-N -1 0 393.396 0.143 20 0 GCADRM COc1c(Cl)cccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422671085 1194685793 /nfs/dbraw/zinc/68/57/93/1194685793.db2.gz MBOOCVNGJGABID-VIFPVBQESA-N -1 0 385.804 0.725 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1CCCc2ccc(F)cc21)[C@H](C)C(=O)[O-] ZINC000422672513 1194686156 /nfs/dbraw/zinc/68/61/56/1194686156.db2.gz QNHJBCFMQWUJLD-LLVKDONJSA-N -1 0 379.388 0.543 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N(C)C)c1C)[C@@H](C)C(=O)[O-] ZINC000422671700 1194686265 /nfs/dbraw/zinc/68/62/65/1194686265.db2.gz ODDVCAGZMYHIMT-LBPRGKRZSA-N -1 0 378.429 0.437 20 0 GCADRM CCn1ncc2ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc21 ZINC000422671678 1194686313 /nfs/dbraw/zinc/68/63/13/1194686313.db2.gz OADSOSZXHGIUJF-NSHDSACASA-N -1 0 389.412 0.433 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)cc1F)[C@H](C)C(=O)[O-] ZINC000422671705 1194686325 /nfs/dbraw/zinc/68/63/25/1194686325.db2.gz OEFBXIHYJDWETP-SSDOTTSWSA-N -1 0 375.303 0.480 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OCC2CC2)cc1)[C@H](C)C(=O)[O-] ZINC000422671326 1194686343 /nfs/dbraw/zinc/68/63/43/1194686343.db2.gz MYMHWRIWBJVKOA-GFCCVEGCSA-N -1 0 391.424 0.852 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(CCC(C)C)c1C)[C@H](C)C(=O)[O-] ZINC000422673569 1194686538 /nfs/dbraw/zinc/68/65/38/1194686538.db2.gz UDXJQACVBMGMSV-CYBMUJFWSA-N -1 0 395.460 0.614 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C)C(=O)[O-] ZINC000422673312 1194686563 /nfs/dbraw/zinc/68/65/63/1194686563.db2.gz SVIDAESQDKZRRM-LBPRGKRZSA-N -1 0 385.442 0.601 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(-n2cccn2)c1)[C@H](C)C(=O)[O-] ZINC000422673191 1194686591 /nfs/dbraw/zinc/68/65/91/1194686591.db2.gz SNGVTISEWVVMSN-GFCCVEGCSA-N -1 0 387.396 0.249 20 0 GCADRM CCOC(=O)c1ccccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422673187 1194686851 /nfs/dbraw/zinc/68/68/51/1194686851.db2.gz SMOZDIXSXUEGBF-LLVKDONJSA-N -1 0 393.396 0.240 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)cc1F)[C@@H](C)C(=O)[O-] ZINC000422674399 1194686999 /nfs/dbraw/zinc/68/69/99/1194686999.db2.gz WJCAFVXUDLSULJ-NSHDSACASA-N -1 0 397.403 0.989 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(F)c(F)c1F)[C@@H](C)C(=O)[O-] ZINC000422675443 1194687038 /nfs/dbraw/zinc/68/70/38/1194687038.db2.gz YMJSZQRZYLRCJE-ZETCQYMHSA-N -1 0 375.303 0.480 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2)[C@H](C)C(=O)[O-] ZINC000422674689 1194687172 /nfs/dbraw/zinc/68/71/72/1194687172.db2.gz WXZKUIAYWFPOSX-NXEZZACHSA-N -1 0 396.469 0.644 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000422674693 1194687238 /nfs/dbraw/zinc/68/72/38/1194687238.db2.gz WZESBBXZFLRZPB-AWEZNQCLSA-N -1 0 397.453 0.825 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OC(F)F)[C@H](C)C(=O)[O-] ZINC000422675192 1194687262 /nfs/dbraw/zinc/68/72/62/1194687262.db2.gz YAZYQZGTUWDIPQ-SECBINFHSA-N -1 0 387.339 0.664 20 0 GCADRM CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422675490 1194687266 /nfs/dbraw/zinc/68/72/66/1194687266.db2.gz BUJBDSQNLFLOPB-GJZGRUSLSA-N -1 0 391.424 0.850 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000422676270 1194687522 /nfs/dbraw/zinc/68/75/22/1194687522.db2.gz CWTLSQOTVDSYLS-OCCSQVGLSA-N -1 0 395.387 0.599 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3cnccc3c2)C1=O ZINC000422675343 1194687603 /nfs/dbraw/zinc/68/76/03/1194687603.db2.gz BIWUCUNTSNWDSZ-HOTGVXAUSA-N -1 0 398.419 1.000 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cc(-n3cnnn3)ccc1F)C2 ZINC000422678096 1194687867 /nfs/dbraw/zinc/68/78/67/1194687867.db2.gz QYOGQPAEKZJIFB-DYZYQPBXSA-N -1 0 388.359 0.453 20 0 GCADRM CCc1nc(C)c(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000422677864 1194687876 /nfs/dbraw/zinc/68/78/76/1194687876.db2.gz LCYZWTSKHNCOJW-PWSUYJOCSA-N -1 0 396.469 0.779 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3ncccc3c2)C1=O ZINC000422677465 1194687911 /nfs/dbraw/zinc/68/79/11/1194687911.db2.gz JCDBUZNWZDJGGU-HZPDHXFCSA-N -1 0 398.419 1.000 20 0 GCADRM COc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422678047 1194687941 /nfs/dbraw/zinc/68/79/41/1194687941.db2.gz MAHSUWKKQKHEHN-DOMZBBRYSA-N -1 0 391.424 0.768 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])scc1C(C)C ZINC000422677936 1194687987 /nfs/dbraw/zinc/68/79/87/1194687987.db2.gz LRZLMJFUSLVPFJ-INIZCTEOSA-N -1 0 386.426 0.939 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3ncccc3c2)C1=O ZINC000422677466 1194688017 /nfs/dbraw/zinc/68/80/17/1194688017.db2.gz JCDBUZNWZDJGGU-JKSUJKDBSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2F)C1=O ZINC000422679061 1194688259 /nfs/dbraw/zinc/68/82/59/1194688259.db2.gz RECHOQJPHXXTLR-YPMHNXCESA-N -1 0 383.351 0.730 20 0 GCADRM NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cc21 ZINC000422678231 1194688390 /nfs/dbraw/zinc/68/83/90/1194688390.db2.gz SPAHHCSPIYOISD-NIVTXAMTSA-N -1 0 385.380 0.314 20 0 GCADRM Cc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422679894 1194688605 /nfs/dbraw/zinc/68/86/05/1194688605.db2.gz XCYUGWDYJRBMNB-GXTWGEPZSA-N -1 0 379.388 0.899 20 0 GCADRM Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422679615 1194688703 /nfs/dbraw/zinc/68/87/03/1194688703.db2.gz VNFZNVDYTJJPHU-KBPBESRZSA-N -1 0 379.388 0.899 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000422695612 1194689189 /nfs/dbraw/zinc/68/91/89/1194689189.db2.gz QBZBMQPYAFICOR-WZRBSPASSA-N -1 0 397.453 0.080 20 0 GCADRM C[C@@H](CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC000422694573 1194689277 /nfs/dbraw/zinc/68/92/77/1194689277.db2.gz XWYFIGISOVOYMK-NSHDSACASA-N -1 0 399.469 0.881 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422700419 1194689500 /nfs/dbraw/zinc/68/95/00/1194689500.db2.gz GZAKSYIJUGMMKF-MCIONIFRSA-N -1 0 377.445 0.074 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 ZINC000422697854 1194689575 /nfs/dbraw/zinc/68/95/75/1194689575.db2.gz WLVFXUDOPCKDMT-WFASDCNBSA-N -1 0 375.425 0.574 20 0 GCADRM CNC(=O)c1cccc(CCNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422699644 1194689610 /nfs/dbraw/zinc/68/96/10/1194689610.db2.gz AWNSTOXWQKRPTB-DOMZBBRYSA-N -1 0 375.425 0.274 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1 ZINC000422700418 1194689686 /nfs/dbraw/zinc/68/96/86/1194689686.db2.gz GZAKSYIJUGMMKF-HZSPNIEDSA-N -1 0 377.445 0.074 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000422700502 1194689707 /nfs/dbraw/zinc/68/97/07/1194689707.db2.gz CBTYWBLGZDEFNR-JSGCOSHPSA-N -1 0 393.415 0.170 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000422703920 1194689967 /nfs/dbraw/zinc/68/99/67/1194689967.db2.gz ODMOULOPMHTCSX-HZSPNIEDSA-N -1 0 379.457 0.605 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCC(=O)N2CCCc3ccccc32)C1 ZINC000422701617 1194689978 /nfs/dbraw/zinc/68/99/78/1194689978.db2.gz DLZBWCCTPUQCGY-UKRRQHHQSA-N -1 0 387.436 0.651 20 0 GCADRM COc1cc(OC)c(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(OC)c1 ZINC000422700447 1194690113 /nfs/dbraw/zinc/69/01/13/1194690113.db2.gz BVXCQQGZMLXCGA-NWDGAFQWSA-N -1 0 394.424 0.898 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000422703922 1194690145 /nfs/dbraw/zinc/69/01/45/1194690145.db2.gz ODMOULOPMHTCSX-MGPQQGTHSA-N -1 0 379.457 0.605 20 0 GCADRM COc1cccc(COCCNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422706773 1194690348 /nfs/dbraw/zinc/69/03/48/1194690348.db2.gz VCFSMOCSJYPRST-DZGCQCFKSA-N -1 0 378.425 0.897 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccnc2OCC(F)F)C1 ZINC000422708151 1194690522 /nfs/dbraw/zinc/69/05/22/1194690522.db2.gz XDYOHXWRDZPJPY-CMPLNLGQSA-N -1 0 385.367 0.911 20 0 GCADRM CC[C@H](C)CNC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000422707065 1194690541 /nfs/dbraw/zinc/69/05/41/1194690541.db2.gz VQRVIFULCLSEHI-QEJZJMRPSA-N -1 0 375.425 0.692 20 0 GCADRM C[C@H](NC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(=O)N1Cc2ccccc2C1 ZINC000422705313 1194690616 /nfs/dbraw/zinc/69/06/16/1194690616.db2.gz REGAUXVLMOFULI-XEZPLFJOSA-N -1 0 387.436 0.603 20 0 GCADRM CCc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1CC ZINC000422709533 1194691078 /nfs/dbraw/zinc/69/10/78/1194691078.db2.gz ZILTUPOPSZFTOY-GHMZBOCLSA-N -1 0 378.429 0.492 20 0 GCADRM CCc1n[nH]c(=O)c(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1CC ZINC000422709534 1194691104 /nfs/dbraw/zinc/69/11/04/1194691104.db2.gz ZILTUPOPSZFTOY-MNOVXSKESA-N -1 0 378.429 0.492 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)C[C@H]1C(=O)[O-] ZINC000422711932 1194691394 /nfs/dbraw/zinc/69/13/94/1194691394.db2.gz HUQJZNOTNUGEIV-VXGBXAGGSA-N -1 0 379.438 0.212 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000422712010 1194691472 /nfs/dbraw/zinc/69/14/72/1194691472.db2.gz NRIFFECUKFSIBX-KBPBESRZSA-N -1 0 375.425 0.610 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000422712016 1194691654 /nfs/dbraw/zinc/69/16/54/1194691654.db2.gz NRIFFECUKFSIBX-ZIAGYGMSSA-N -1 0 375.425 0.610 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1 ZINC000422690270 1194691767 /nfs/dbraw/zinc/69/17/67/1194691767.db2.gz ZIEIIZHZYNLUKG-KRWDZBQOSA-N -1 0 399.350 0.691 20 0 GCADRM C[C@H](CN(C)C(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C(=O)[O-] ZINC000422690252 1194691846 /nfs/dbraw/zinc/69/18/46/1194691846.db2.gz PLPMTVFHKCEXJS-SNVBAGLBSA-N -1 0 385.367 0.919 20 0 GCADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422690357 1194691870 /nfs/dbraw/zinc/69/18/70/1194691870.db2.gz MSGQCEGIAKLREU-CMPLNLGQSA-N -1 0 377.397 0.563 20 0 GCADRM CCOC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000422689313 1194691886 /nfs/dbraw/zinc/69/18/86/1194691886.db2.gz YBVMNNQURGSPNN-GOSISDBHSA-N -1 0 378.381 0.890 20 0 GCADRM 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389.393 0.242 20 0 GCADRM CC(C)C[C@H](CNC(=O)C(=O)NCCCc1nnc2ccccn21)C(=O)[O-] ZINC000424516977 1194821070 /nfs/dbraw/zinc/82/10/70/1194821070.db2.gz KKTLVKXLHCYRHR-CYBMUJFWSA-N -1 0 375.429 0.641 20 0 GCADRM C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cn2)CCO1 ZINC000424519806 1194821354 /nfs/dbraw/zinc/82/13/54/1194821354.db2.gz OZSXQTZVTKKACH-CYBMUJFWSA-N -1 0 392.456 0.540 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000424543970 1194822924 /nfs/dbraw/zinc/82/29/24/1194822924.db2.gz OZFFMJSKHHPIEK-SANMLTNESA-N -1 0 379.482 0.226 20 0 GCADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424599731 1194825628 /nfs/dbraw/zinc/82/56/28/1194825628.db2.gz NAQDCBBGZVHPCJ-CYBMUJFWSA-N -1 0 380.426 0.940 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(CCn3cncn3)CC2)c1 ZINC000424690565 1194827940 /nfs/dbraw/zinc/82/79/40/1194827940.db2.gz UQRNRLAWJQIABA-SANMLTNESA-N -1 0 377.470 0.239 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 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384.366 0.975 20 0 GCADRM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573708726 948457660 /nfs/dbraw/zinc/45/76/60/948457660.db2.gz XOFYXAHXZXMUDI-LBPRGKRZSA-N -1 0 382.432 0.235 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1nc(C)n(C)c1Br)C(=O)[O-] ZINC000328495056 971482623 /nfs/dbraw/zinc/48/26/23/971482623.db2.gz PNYGCVOJVDNAEM-LLVKDONJSA-N -1 0 384.252 0.649 20 0 GCADRM C[C@H](C(=O)NCCc1ccc2c(c1)OCCCO2)n1cnc(-c2nnn[n-]2)n1 ZINC001573717317 948506873 /nfs/dbraw/zinc/50/68/73/948506873.db2.gz LFFCELPFYODCTO-LLVKDONJSA-N -1 0 384.400 0.539 20 0 GCADRM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001602760732 971485081 /nfs/dbraw/zinc/48/50/81/971485081.db2.gz QTUSDBXCCOHGPC-ZDUSSCGKSA-N -1 0 397.432 0.375 20 0 GCADRM C[C@@H](C(=O)NCCN(c1ccnc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573717512 948511086 /nfs/dbraw/zinc/51/10/86/948511086.db2.gz DSLLZHPZTFWOHS-GFCCVEGCSA-N -1 0 379.428 0.940 20 0 GCADRM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nnn[n-]2)n1 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382.428 0.405 20 0 GCADRM C[C@@H](C(=O)Nc1cc(Cl)cc(F)c1C(N)=O)n1cnc(-c2nnn[n-]2)n1 ZINC001573755772 948784051 /nfs/dbraw/zinc/78/40/51/948784051.db2.gz HYBXIVNBGISKFN-YFKPBYRVSA-N -1 0 379.743 0.549 20 0 GCADRM CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001602773825 971507927 /nfs/dbraw/zinc/50/79/27/971507927.db2.gz GZGQRTQFRGVMOT-UHFFFAOYSA-N -1 0 377.378 0.899 20 0 GCADRM C[C@H](C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756068 948797252 /nfs/dbraw/zinc/79/72/52/948797252.db2.gz LTWPINBSIBPCPM-SECBINFHSA-N -1 0 395.383 0.178 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000332303113 971513052 /nfs/dbraw/zinc/51/30/52/971513052.db2.gz LPAYDROUZTZZRZ-IBGZPJMESA-N -1 0 379.457 0.561 20 0 GCADRM CC(C)(C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)[C@H]1CCCCO1 ZINC001573761100 948834756 /nfs/dbraw/zinc/83/47/56/948834756.db2.gz BIIWGMPJQGOGNZ-GFCCVEGCSA-N -1 0 389.416 0.108 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C[C@H]1C(=O)[O-] ZINC000332339067 971512652 /nfs/dbraw/zinc/51/26/52/971512652.db2.gz SHYNDRKXGKAMMO-UKRRQHHQSA-N -1 0 379.457 0.417 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000330686596 971512713 /nfs/dbraw/zinc/51/27/13/971512713.db2.gz BBLAKYRILVIMCQ-ZDUSSCGKSA-N -1 0 384.454 0.809 20 0 GCADRM CC[C@@H](NC(=O)N(CCOC)CCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC001589565335 948860652 /nfs/dbraw/zinc/86/06/52/948860652.db2.gz UXSUOAQJDCNQRH-CQSZACIVSA-N -1 0 387.458 0.918 20 0 GCADRM C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684488 948872926 /nfs/dbraw/zinc/87/29/26/948872926.db2.gz HIJCNLVDXBKPOR-ZCFIWIBFSA-N -1 0 382.841 0.726 20 0 GCADRM C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684487 948874695 /nfs/dbraw/zinc/87/46/95/948874695.db2.gz HIJCNLVDXBKPOR-LURJTMIESA-N -1 0 382.841 0.726 20 0 GCADRM C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1COCCO1 ZINC001574684653 948875936 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382.432 0.308 20 0 GCADRM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001574433340 948952902 /nfs/dbraw/zinc/95/29/02/948952902.db2.gz VJHWTCPWCCTREV-GFCCVEGCSA-N -1 0 382.432 0.372 20 0 GCADRM CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575239416 948960578 /nfs/dbraw/zinc/96/05/78/948960578.db2.gz RPNZLVURGGDSGD-JTQLQIEISA-N -1 0 382.375 0.414 20 0 GCADRM CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001574433611 948960907 /nfs/dbraw/zinc/96/09/07/948960907.db2.gz YXYZNRKLLKTSKT-NSHDSACASA-N -1 0 380.416 0.579 20 0 GCADRM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574433759 948964516 /nfs/dbraw/zinc/96/45/16/948964516.db2.gz PILIERLOPSJSCB-MNOVXSKESA-N -1 0 384.448 0.554 20 0 GCADRM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574433845 948966149 /nfs/dbraw/zinc/96/61/49/948966149.db2.gz SHVPTARPYFLSHJ-NSHDSACASA-N -1 0 384.448 0.508 20 0 GCADRM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccnc(-c2nnn[n-]2)n1 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ZINC001593821548 955043030 /nfs/dbraw/zinc/04/30/30/955043030.db2.gz KZNGMNPAZJDFGT-UWCWSIQASA-N -1 0 393.440 0.293 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCNC(=O)c1ccco1)C[C@H]2C(=O)[O-] ZINC001593821532 955044007 /nfs/dbraw/zinc/04/40/07/955044007.db2.gz KIEITBDNEAEBJN-LASWEOPPSA-N -1 0 393.396 0.305 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCC(=O)N1CCCCC1)C[C@H]2C(=O)[O-] ZINC001593821539 955044139 /nfs/dbraw/zinc/04/41/39/955044139.db2.gz KSCJYSBFXIYOSA-BIWSTMPVSA-N -1 0 395.456 0.684 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCn1ccnc1C)C[C@H]2C(=O)[O-] ZINC001593821777 955046552 /nfs/dbraw/zinc/04/65/52/955046552.db2.gz NTBIREITWCOLJI-FVRSWCFKSA-N -1 0 378.429 0.877 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](C(C)C)N1CCCC1=O)C[C@@H]2C(=O)[O-] ZINC001593821884 955048024 /nfs/dbraw/zinc/04/80/24/955048024.db2.gz WGWWRHGIBXAQKI-GXJBLNRDSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCNC(=O)OC(C)(C)C)C[C@H]2C(=O)[O-] ZINC001593822024 955050260 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ZINC000738139785 955234056 /nfs/dbraw/zinc/23/40/56/955234056.db2.gz GQOMRBIANDUUSR-AWEZNQCLSA-N -1 0 393.465 0.294 20 0 GCADRM Cc1ccc(C)c(N2N=C(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)CCC2=O)c1 ZINC000738262409 955236108 /nfs/dbraw/zinc/23/61/08/955236108.db2.gz NQPZPFVDXFFTMJ-UHFFFAOYSA-N -1 0 386.408 0.542 20 0 GCADRM Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2=O)cc1F ZINC000738280738 955237426 /nfs/dbraw/zinc/23/74/26/955237426.db2.gz SNELPIPEVFDLMS-GFCCVEGCSA-N -1 0 377.372 0.242 20 0 GCADRM Cc1cccc([C@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])N2CCOCC2)c1 ZINC000738306121 955237535 /nfs/dbraw/zinc/23/75/35/955237535.db2.gz DRMTYUNFAPNYNG-IRXDYDNUSA-N -1 0 397.497 0.752 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000738516655 955245240 /nfs/dbraw/zinc/24/52/40/955245240.db2.gz GZBQMRQSMJFVJD-CYBMUJFWSA-N -1 0 379.800 0.448 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000738516562 955245251 /nfs/dbraw/zinc/24/52/51/955245251.db2.gz IUGVJANSDSTVSP-UHFFFAOYSA-N -1 0 394.449 0.095 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000738518212 955246818 /nfs/dbraw/zinc/24/68/18/955246818.db2.gz RHPTVFWTJMWRSS-SSZFMOIBSA-N -1 0 397.387 0.806 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000738517962 955246998 /nfs/dbraw/zinc/24/69/98/955246998.db2.gz VRZRXJGYJULQTO-UHFFFAOYSA-N -1 0 386.383 0.869 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000738540189 955247310 /nfs/dbraw/zinc/24/73/10/955247310.db2.gz BFORULRDIHSJKL-HOTGVXAUSA-N -1 0 395.481 0.604 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000738541714 955248404 /nfs/dbraw/zinc/24/84/04/955248404.db2.gz VIJSQRBWJQWHCX-HNNXBMFYSA-N -1 0 381.454 0.167 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000738545252 955249325 /nfs/dbraw/zinc/24/93/25/955249325.db2.gz NYISJMCYRFWXKR-VIFPVBQESA-N -1 0 393.347 0.632 20 0 GCADRM 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381.454 0.804 20 0 GCADRM CS(=O)(=O)N1CCC(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001594169898 958982912 /nfs/dbraw/zinc/98/29/12/958982912.db2.gz LWHQIQLPFDTEHH-HNNXBMFYSA-N -1 0 381.454 0.804 20 0 GCADRM CS(=O)(=O)N1CCC[C@@H](NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001594170036 958986810 /nfs/dbraw/zinc/98/68/10/958986810.db2.gz QDBSIGBPLKRJHG-LGESCRJUSA-N -1 0 389.474 0.122 20 0 GCADRM C[C@H](C(=O)N(CC(=O)[O-])CC1CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001588545020 958990805 /nfs/dbraw/zinc/99/08/05/958990805.db2.gz HCWIOTHFOXPMOI-GFCCVEGCSA-N -1 0 383.445 0.777 20 0 GCADRM Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)NC(N)=O ZINC001594415378 958992586 /nfs/dbraw/zinc/99/25/86/958992586.db2.gz IXTRVQRSEDGNAL-HUUCEWRRSA-N -1 0 390.440 0.676 20 0 GCADRM C[C@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)N(C)CC(F)(F)F ZINC001588547585 959003080 /nfs/dbraw/zinc/00/30/80/959003080.db2.gz IEDOVRZUYIXKPL-MNOVXSKESA-N -1 0 379.379 0.793 20 0 GCADRM 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BUQBHUGWQOCSNE-HNNXBMFYSA-N -1 0 391.449 0.354 20 0 GCADRM CC(C)(NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C(=O)[O-] ZINC000737600107 978422492 /nfs/dbraw/zinc/42/24/92/978422492.db2.gz SCTOOVNJTVNZLI-SFHVURJKSA-N -1 0 376.413 0.414 20 0 GCADRM C[C@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000737705920 978434003 /nfs/dbraw/zinc/43/40/03/978434003.db2.gz OTQBHMULDINKEP-NSHDSACASA-N -1 0 398.437 0.344 20 0 GCADRM C[C@H](OC(=O)COc1ccccc1C(N)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000737708493 978435577 /nfs/dbraw/zinc/43/55/77/978435577.db2.gz VGUJRQMSSGLUPF-NSHDSACASA-N -1 0 378.381 0.419 20 0 GCADRM C[C@@H](OC(=O)COc1ccccc1C(N)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000737708485 978435681 /nfs/dbraw/zinc/43/56/81/978435681.db2.gz VGUJRQMSSGLUPF-LLVKDONJSA-N -1 0 378.381 0.419 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000737721424 978438942 /nfs/dbraw/zinc/43/89/42/978438942.db2.gz PTFITNRWSDHLQR-LBPRGKRZSA-N -1 0 383.470 0.650 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCSC[C@H]1C(=O)[O-] ZINC000738035304 978468525 /nfs/dbraw/zinc/46/85/25/978468525.db2.gz BKNQWXXSZWRIKT-GJZGRUSLSA-N -1 0 378.450 0.615 20 0 GCADRM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000738148844 978486880 /nfs/dbraw/zinc/48/68/80/978486880.db2.gz AMBXPPVNCLFDKX-ZIAGYGMSSA-N -1 0 382.438 0.724 20 0 GCADRM C[C@@H](C(=O)OCc1noc(CCC(=O)[O-])n1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000738216119 978501584 /nfs/dbraw/zinc/50/15/84/978501584.db2.gz SUDMDONZNHFSQT-GARJFASQSA-N -1 0 379.369 0.694 20 0 GCADRM C[C@H](CN(C1CC1)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F)C(=O)[O-] ZINC001592593398 978526046 /nfs/dbraw/zinc/52/60/46/978526046.db2.gz FNKFVIWTEVJVEU-MRVPVSSYSA-N -1 0 381.394 0.826 20 0 GCADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000738455914 978541465 /nfs/dbraw/zinc/54/14/65/978541465.db2.gz YKGADFJQMBYIJZ-UHFFFAOYSA-N -1 0 384.458 0.958 20 0 GCADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000738474154 978544506 /nfs/dbraw/zinc/54/45/06/978544506.db2.gz XUEMDRYCERAYRJ-ZDUSSCGKSA-N -1 0 379.413 0.234 20 0 GCADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001592615652 978575938 /nfs/dbraw/zinc/57/59/38/978575938.db2.gz LFUPDNPRQCNKIN-OWCLPIDISA-N -1 0 391.472 0.069 20 0 GCADRM C[C@@H](CN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001592616765 978581611 /nfs/dbraw/zinc/58/16/11/978581611.db2.gz ZHIUCVCMWRZCFQ-ZDUSSCGKSA-N -1 0 393.469 0.597 20 0 GCADRM C[C@H](CN1CCOCC1)N(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001592623281 978593447 /nfs/dbraw/zinc/59/34/47/978593447.db2.gz FXLDZAQKYIIPNL-CQSZACIVSA-N -1 0 390.440 0.763 20 0 GCADRM C[C@H](CNC(=O)C(=O)NC1CC(CC(=O)[O-])C1)N1CCc2sccc2C1 ZINC001592629683 978609740 /nfs/dbraw/zinc/60/97/40/978609740.db2.gz KGKZTFJEFPFTLB-LKSINWNRSA-N -1 0 379.482 0.980 20 0 GCADRM C[C@H](CNC(=O)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)N1CCc2sccc2C1 ZINC001592629982 978610037 /nfs/dbraw/zinc/61/00/37/978610037.db2.gz NBLHDWKYTYSTPI-BXUZGUMPSA-N -1 0 377.466 0.901 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1nccs1 ZINC001592629800 978610076 /nfs/dbraw/zinc/61/00/76/978610076.db2.gz NACNPJGJRQKQQC-NXEZZACHSA-N -1 0 378.414 0.126 20 0 GCADRM C[C@H](CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)CN1CCOCC1 ZINC001592630433 978611358 /nfs/dbraw/zinc/61/13/58/978611358.db2.gz QXYYQQSHRZYKLS-CQSZACIVSA-N -1 0 377.441 0.128 20 0 GCADRM NC(=O)[C@@H]1CC(C(=O)OCc2noc(CCC(=O)[O-])n2)=NN1c1ccccc1 ZINC000739154540 978619225 /nfs/dbraw/zinc/61/92/25/978619225.db2.gz SGUNBJBIUXDBFA-LBPRGKRZSA-N -1 0 387.352 0.250 20 0 GCADRM NS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cc1 ZINC000739190075 978620040 /nfs/dbraw/zinc/62/00/40/978620040.db2.gz MOWQAKVAJFMPKP-UHFFFAOYSA-N -1 0 391.405 0.330 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c2ccccc2O1 ZINC000739403849 978633405 /nfs/dbraw/zinc/63/34/05/978633405.db2.gz HDSRRZNQJPQJFY-WMLDXEAASA-N -1 0 384.388 0.585 20 0 GCADRM C[C@H](CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1)CN1CCOCC1 ZINC001592659403 978641226 /nfs/dbraw/zinc/64/12/26/978641226.db2.gz CMOCDWTUZJCEEV-DNVCBOLYSA-N -1 0 383.489 0.746 20 0 GCADRM O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000739813520 978654921 /nfs/dbraw/zinc/65/49/21/978654921.db2.gz UZKGGZBGLCTBHV-JSGCOSHPSA-N -1 0 377.397 0.107 20 0 GCADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000748807489 978687964 /nfs/dbraw/zinc/68/79/64/978687964.db2.gz GJNCQLKIDGTYNF-UHFFFAOYSA-N -1 0 395.481 0.622 20 0 GCADRM CN(CC(=O)N1CCc2cc(C(=O)[O-])ccc21)S(=O)(=O)c1cccnc1 ZINC000761420465 978710657 /nfs/dbraw/zinc/71/06/57/978710657.db2.gz NWBHISYDGGCYST-UHFFFAOYSA-N -1 0 375.406 0.990 20 0 GCADRM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000761988716 978717063 /nfs/dbraw/zinc/71/70/63/978717063.db2.gz YUXQTWSNQWJUQL-UHFFFAOYSA-N -1 0 386.334 0.978 20 0 GCADRM COc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1N1CCNC1=O ZINC000761992757 978717594 /nfs/dbraw/zinc/71/75/94/978717594.db2.gz HOOPXIRODAKISY-UHFFFAOYSA-N -1 0 386.368 0.212 20 0 GCADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000766898616 978728294 /nfs/dbraw/zinc/72/82/94/978728294.db2.gz DAQKNZNVTDYAQR-ATWMFIQVSA-N -1 0 385.420 0.847 20 0 GCADRM COc1cccc(/C=C(/C(=O)N2CCC(O)(C(=O)[O-])CC2)n2nnnc2C)c1 ZINC000767185352 978736031 /nfs/dbraw/zinc/73/60/31/978736031.db2.gz QXEIFVLJRBKVBT-PTNGSMBKSA-N -1 0 387.396 0.426 20 0 GCADRM COc1cccc(/C=C(\C(=O)N2CCC(O)(C(=O)[O-])CC2)n2nnnc2C)c1 ZINC000767185354 978736050 /nfs/dbraw/zinc/73/60/50/978736050.db2.gz QXEIFVLJRBKVBT-RVDMUPIBSA-N -1 0 387.396 0.426 20 0 GCADRM O=C([O-])c1ccccc1OCCN1CCN(C(=O)CN2CCOCC2)CC1 ZINC000768782076 978739683 /nfs/dbraw/zinc/73/96/83/978739683.db2.gz UIVCXGVLECWOSM-UHFFFAOYSA-N -1 0 377.441 0.240 20 0 GCADRM COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])cc1 ZINC000776598670 978755900 /nfs/dbraw/zinc/75/59/00/978755900.db2.gz CXXWWINECBJBKA-OAHLLOKOSA-N -1 0 385.438 0.950 20 0 GCADRM O=C([O-])[C@@H](CC1CCOCC1)NS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000776599934 978756092 /nfs/dbraw/zinc/75/60/92/978756092.db2.gz JDRPAHRGWHGMAN-OAHLLOKOSA-N -1 0 394.453 0.875 20 0 GCADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])C1 ZINC000776601241 978756394 /nfs/dbraw/zinc/75/63/94/978756394.db2.gz OCFARWGPKJHUEF-KGLIPLIRSA-N -1 0 392.474 0.366 20 0 GCADRM CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])CC1 ZINC000776603559 978757417 /nfs/dbraw/zinc/75/74/17/978757417.db2.gz WVJRGKNTTOUKTB-CQSZACIVSA-N -1 0 392.474 0.797 20 0 GCADRM CC(=O)N1CCCc2cc(S(=O)(=O)N3CCOC[C@@H]3CC(=O)[O-])ccc21 ZINC000776689691 978771801 /nfs/dbraw/zinc/77/18/01/978771801.db2.gz DERJIYVKLOEIRX-AWEZNQCLSA-N -1 0 382.438 0.850 20 0 GCADRM COC(=O)Cn1cc(S(=O)(=O)N2CCc3c(cccc3C(=O)[O-])C2)cn1 ZINC000776704116 978772681 /nfs/dbraw/zinc/77/26/81/978772681.db2.gz FWGWQKRWBZQFIZ-UHFFFAOYSA-N -1 0 379.394 0.501 20 0 GCADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC000776714548 978774095 /nfs/dbraw/zinc/77/40/95/978774095.db2.gz GVRMMOPCKKTOEE-UHFFFAOYSA-N -1 0 395.393 0.402 20 0 GCADRM CCn1c(=O)[nH]c2cc(C(=O)N3CC(n4cc(C(=O)[O-])nn4)C3)ccc2c1=O ZINC000780313442 978786267 /nfs/dbraw/zinc/78/62/67/978786267.db2.gz IRMJSUMLJZXUSI-UHFFFAOYSA-N -1 0 384.352 0.109 20 0 GCADRM O=C([O-])c1cn(C2CN(C(=O)c3cc(N4CCNC4=O)ccc3Cl)C2)nn1 ZINC000780318132 978789033 /nfs/dbraw/zinc/78/90/33/978789033.db2.gz SMXFKCUHJZVDAJ-UHFFFAOYSA-N -1 0 390.787 0.856 20 0 GCADRM Cc1ccc(C2N=NC(=S)N2CC(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000780319770 978789690 /nfs/dbraw/zinc/78/96/90/978789690.db2.gz VQPCYMLONRYDKT-UHFFFAOYSA-N -1 0 399.436 0.915 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)C[C@H]1C(=O)[O-] ZINC000817108829 978900979 /nfs/dbraw/zinc/90/09/79/978900979.db2.gz NKAHQWMYKZRYIA-BXUZGUMPSA-N -1 0 375.381 0.439 20 0 GCADRM CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000817111498 978901639 /nfs/dbraw/zinc/90/16/39/978901639.db2.gz DIIAHKZGAMOPPG-YIYPIFLZSA-N -1 0 383.445 0.539 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CCO1 ZINC000817116304 978903095 /nfs/dbraw/zinc/90/30/95/978903095.db2.gz SFKIEYZCNWSKMH-JKSUJKDBSA-N -1 0 376.409 0.583 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)CCO1 ZINC000817116300 978903147 /nfs/dbraw/zinc/90/31/47/978903147.db2.gz SFKIEYZCNWSKMH-HZPDHXFCSA-N -1 0 376.409 0.583 20 0 GCADRM Cc1cc(NC(=O)C(=O)N2CC[C@@H](CN3CCOC3=O)C2)ccc1C(=O)[O-] ZINC000817881821 978905741 /nfs/dbraw/zinc/90/57/41/978905741.db2.gz VZOQDIKJFGZOAZ-GFCCVEGCSA-N -1 0 375.381 0.932 20 0 GCADRM CC1(C)CN=C(N2CCN(C(=O)C(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)S1 ZINC000817896856 978906543 /nfs/dbraw/zinc/90/65/43/978906543.db2.gz XBCPRDNOFNYOOO-LBPRGKRZSA-N -1 0 382.486 0.335 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000817903197 978906900 /nfs/dbraw/zinc/90/69/00/978906900.db2.gz JYMGWHSPGSGLJJ-BZUAXINKSA-N -1 0 376.409 0.271 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000818311320 978909569 /nfs/dbraw/zinc/90/95/69/978909569.db2.gz NHGPHSRTVCITBC-GOSISDBHSA-N -1 0 375.381 0.550 20 0 GCADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000818313921 978910184 /nfs/dbraw/zinc/91/01/84/978910184.db2.gz YUANIVKMYDNGPL-KRWDZBQOSA-N -1 0 385.438 0.951 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000818314444 978910239 /nfs/dbraw/zinc/91/02/39/978910239.db2.gz XJLRXEDUGBMOKA-MRXNPFEDSA-N -1 0 386.426 0.574 20 0 GCADRM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC000818315256 978910439 /nfs/dbraw/zinc/91/04/39/978910439.db2.gz FHSBRVIITPTKDH-KBPBESRZSA-N -1 0 392.460 0.827 20 0 GCADRM CCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000818315842 978911290 /nfs/dbraw/zinc/91/12/90/978911290.db2.gz BKMJIRJJXGGTNN-LBPRGKRZSA-N -1 0 378.410 0.857 20 0 GCADRM CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000818316155 978911659 /nfs/dbraw/zinc/91/16/59/978911659.db2.gz CLBOUVGBRHBKFN-CYBMUJFWSA-N -1 0 392.437 0.786 20 0 GCADRM CN(C)c1ncnc2c1cc(C(=O)N1CC[C@@H](n3cc(C(=O)[O-])nn3)C1)n2C ZINC000818317665 978913284 /nfs/dbraw/zinc/91/32/84/978913284.db2.gz OLABIVZIEUHJJR-SNVBAGLBSA-N -1 0 384.400 0.411 20 0 GCADRM C[C@H](C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC000818318797 978915237 /nfs/dbraw/zinc/91/52/37/978915237.db2.gz ASWHAMWWFSJJKZ-PWSUYJOCSA-N -1 0 396.400 0.751 20 0 GCADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818319088 978915767 /nfs/dbraw/zinc/91/57/67/978915767.db2.gz CDXJSXMXRLZKPO-SNVBAGLBSA-N -1 0 379.398 0.019 20 0 GCADRM COc1ccccc1N1C[C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC000818319299 978916108 /nfs/dbraw/zinc/91/61/08/978916108.db2.gz DEQBDFAYRXPCDL-OLZOCXBDSA-N -1 0 399.407 0.811 20 0 GCADRM CCn1c2ccccc2n(CC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1=O ZINC000818319539 978916583 /nfs/dbraw/zinc/91/65/83/978916583.db2.gz GRJKMYZKWIXFEZ-GFCCVEGCSA-N -1 0 384.396 0.586 20 0 GCADRM C[C@@H]1Oc2ccccc2N(CCC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC000818320132 978917709 /nfs/dbraw/zinc/91/77/09/978917709.db2.gz MSCHWGVKBOOEEK-STQMWFEESA-N -1 0 399.407 0.954 20 0 GCADRM CCCCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321034 978918364 /nfs/dbraw/zinc/91/83/64/978918364.db2.gz VMBOIRLIJVDWRR-AAEUAGOBSA-N -1 0 381.458 0.841 20 0 GCADRM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321379 978918405 /nfs/dbraw/zinc/91/84/05/978918405.db2.gz WHOOOIDWFMMTHZ-TZMCWYRMSA-N -1 0 399.473 0.344 20 0 GCADRM CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000818321038 978918406 /nfs/dbraw/zinc/91/84/06/978918406.db2.gz VMBOIRLIJVDWRR-WCQYABFASA-N -1 0 381.458 0.841 20 0 GCADRM O=C([O-])c1cn([C@@H]2CCN(C(=O)COc3ccc4c(c3)CCC(=O)N4)C2)nn1 ZINC000818321540 978918749 /nfs/dbraw/zinc/91/87/49/978918749.db2.gz XMOUUQZKWIVNDG-GFCCVEGCSA-N -1 0 385.380 0.713 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000818328995 978919687 /nfs/dbraw/zinc/91/96/87/978919687.db2.gz ZRXZCKXHUWNOAM-HXUWFJFHSA-N -1 0 389.452 0.995 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c(F)cc1C ZINC000819089949 978923957 /nfs/dbraw/zinc/92/39/57/978923957.db2.gz QJXSXFZIHFLHIB-CYBMUJFWSA-N -1 0 385.373 0.758 20 0 GCADRM Cc1c(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)cnn1-c1ccccn1 ZINC000819107597 978924196 /nfs/dbraw/zinc/92/41/96/978924196.db2.gz LIXJFPSGJAHMLB-INIZCTEOSA-N -1 0 380.426 0.878 20 0 GCADRM O=C([O-])C[C@]1(NS(=O)(=O)c2ccccc2Cn2cncn2)CCCOC1 ZINC000819107919 978924289 /nfs/dbraw/zinc/92/42/89/978924289.db2.gz QXUCYXNUBLVGBK-MRXNPFEDSA-N -1 0 380.426 0.629 20 0 GCADRM COC[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)[O-] ZINC000823338786 978930235 /nfs/dbraw/zinc/93/02/35/978930235.db2.gz WBXJUVMEHFZIDX-YHVDPYDOSA-N -1 0 396.465 0.915 20 0 GCADRM O=C([O-])C[C@@]1(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCCOC1 ZINC000823343385 978934079 /nfs/dbraw/zinc/93/40/79/978934079.db2.gz VMEZSZJCUWENBU-KRWDZBQOSA-N -1 0 382.438 0.881 20 0 GCADRM CCCCS(=O)(=O)N1CCC(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)CC1 ZINC000823344767 978934673 /nfs/dbraw/zinc/93/46/73/978934673.db2.gz JZYOVHCNHJSXQB-KRWDZBQOSA-N -1 0 390.502 0.968 20 0 GCADRM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827422695 978959747 /nfs/dbraw/zinc/95/97/47/978959747.db2.gz SLDMMMMONIJRSP-NSHDSACASA-N -1 0 384.454 0.927 20 0 GCADRM COc1ccc(OC)c2c1CN(S(=O)(=O)c1n[nH]cc1C(=O)[O-])C[C@@H]2O ZINC000828859933 978989006 /nfs/dbraw/zinc/98/90/06/978989006.db2.gz GHKHSKSCHBCEHO-JTQLQIEISA-N -1 0 383.382 0.363 20 0 GCADRM CCOC(=O)[C@]1(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CCc2ccccc21 ZINC000829827833 979007901 /nfs/dbraw/zinc/00/79/01/979007901.db2.gz RXQPRAMDBBCKMA-KRWDZBQOSA-N -1 0 393.421 0.651 20 0 GCADRM CCOc1cccc(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)n1 ZINC000830104835 979013278 /nfs/dbraw/zinc/01/32/78/979013278.db2.gz VSPXZYXFDWCGFP-UHFFFAOYSA-N -1 0 395.441 0.272 20 0 GCADRM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)C[C@@H]21 ZINC000830963292 979024018 /nfs/dbraw/zinc/02/40/18/979024018.db2.gz BTCNSRHNDYLNAY-GJZGRUSLSA-N -1 0 375.425 0.529 20 0 GCADRM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)C[C@H]21 ZINC000830963293 979024285 /nfs/dbraw/zinc/02/42/85/979024285.db2.gz BTCNSRHNDYLNAY-HUUCEWRRSA-N -1 0 375.425 0.529 20 0 GCADRM COC(=O)[C@@H](C)CN(Cc1ccccc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831060229 979025783 /nfs/dbraw/zinc/02/57/83/979025783.db2.gz RBQIKURSOSNHDR-ZDUSSCGKSA-N -1 0 395.437 0.968 20 0 GCADRM COC(=O)CN(CC(=O)[O-])C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000831169960 979028315 /nfs/dbraw/zinc/02/83/15/979028315.db2.gz CBHQRNLSIJDGIW-UHFFFAOYSA-N -1 0 398.828 0.973 20 0 GCADRM COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)ccn1 ZINC000831236331 979028586 /nfs/dbraw/zinc/02/85/86/979028586.db2.gz LZXQUDQKOFKTOC-UHFFFAOYSA-N -1 0 393.377 0.483 20 0 GCADRM COCC(=O)NC1CCN(C(=O)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC000831541069 979032927 /nfs/dbraw/zinc/03/29/27/979032927.db2.gz KLGYSLYBMWATBC-UHFFFAOYSA-N -1 0 397.453 0.755 20 0 GCADRM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000832694801 979048206 /nfs/dbraw/zinc/04/82/06/979048206.db2.gz JJVXUPWSFSVSRO-FZMZJTMJSA-N -1 0 385.442 0.989 20 0 GCADRM Cc1ccc(S(=O)(=O)NCCN(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000832955719 979059927 /nfs/dbraw/zinc/05/99/27/979059927.db2.gz ORBCGIPKOUBOHM-UHFFFAOYSA-N -1 0 397.497 0.528 20 0 GCADRM Cc1oc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C(=O)[O-] ZINC000833028446 979070412 /nfs/dbraw/zinc/07/04/12/979070412.db2.gz OVUNFAVIBIYULJ-LBPRGKRZSA-N -1 0 386.426 0.546 20 0 GCADRM Cn1cc(S(=O)(=O)NCC(=O)N2CCCc3ccccc32)cc1C(=O)[O-] ZINC000833052751 979074328 /nfs/dbraw/zinc/07/43/28/979074328.db2.gz ILXJTIPKWHJBKC-UHFFFAOYSA-N -1 0 377.422 0.981 20 0 GCADRM Cn1cc(S(=O)(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1C(=O)[O-] ZINC000833053400 979075167 /nfs/dbraw/zinc/07/51/67/979075167.db2.gz KGYRVDUKTSECPB-UHFFFAOYSA-N -1 0 397.375 0.803 20 0 GCADRM CC[C@@H](C)c1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001595017081 979077001 /nfs/dbraw/zinc/07/70/01/979077001.db2.gz CBBSGWPTJWINGU-SYQHCUMBSA-N -1 0 393.488 0.978 20 0 GCADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000833172539 979107743 /nfs/dbraw/zinc/10/77/43/979107743.db2.gz IXVNWOVSCNWMCP-HNNXBMFYSA-N -1 0 380.832 0.635 20 0 GCADRM O=C([O-])Cn1cc(CCS(=O)(=O)Cc2nc(-c3ccc(F)cc3)no2)nn1 ZINC000833270934 979135534 /nfs/dbraw/zinc/13/55/34/979135534.db2.gz DOSMZSHIWDXDHX-UHFFFAOYSA-N -1 0 395.372 0.709 20 0 GCADRM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592689040 979135911 /nfs/dbraw/zinc/13/59/11/979135911.db2.gz YLCKDOKHWZZNAF-RWMBFGLXSA-N -1 0 385.461 0.927 20 0 GCADRM O=C([O-])Cn1cc(CCS(=O)(=O)Cc2ccc(-n3cccn3)cc2)nn1 ZINC000833272410 979135993 /nfs/dbraw/zinc/13/59/93/979135993.db2.gz YJVVQSVUSRBUBS-UHFFFAOYSA-N -1 0 375.410 0.706 20 0 GCADRM C[C@H](CNS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001592712218 979203758 /nfs/dbraw/zinc/20/37/58/979203758.db2.gz INUGCUQOOFUUPG-LLVKDONJSA-N -1 0 375.468 0.978 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)Cc2nnn(-c3ccccc3)c2C)[C@H](C(=O)[O-])C1 ZINC000833711423 979228833 /nfs/dbraw/zinc/22/88/33/979228833.db2.gz XHINTQJRPJNZFC-BBRMVZONSA-N -1 0 386.408 0.983 20 0 GCADRM CC(CO)(CO)CNS(=O)(=O)c1ccc(Br)cc1CC(=O)[O-] ZINC001592734522 979262519 /nfs/dbraw/zinc/26/25/19/979262519.db2.gz XFRQHBMNULGZBE-UHFFFAOYSA-N -1 0 396.259 0.345 20 0 GCADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001595050333 979278244 /nfs/dbraw/zinc/27/82/44/979278244.db2.gz PIPSJLFXFNADJZ-UHFFFAOYSA-N -1 0 381.433 0.897 20 0 GCADRM CC[C@](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)(C(=O)[O-])c1ccccc1 ZINC000840947607 979286338 /nfs/dbraw/zinc/28/63/38/979286338.db2.gz ZWWDHPKEHLOTJC-CTDFXDFQSA-N -1 0 385.420 0.646 20 0 GCADRM COc1ccc(C2=NO[C@@H](CNC(=O)N3CCO[C@H](C(=O)[O-])C3)C2)cc1C ZINC000840990944 979289098 /nfs/dbraw/zinc/28/90/98/979289098.db2.gz ZQSANMRWWCXEEF-CJNGLKHVSA-N -1 0 377.397 0.992 20 0 GCADRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000841771760 979308262 /nfs/dbraw/zinc/30/82/62/979308262.db2.gz XNUJPRYFUFDFPS-UHFFFAOYSA-N -1 0 393.421 0.841 20 0 GCADRM CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC000842050498 979317958 /nfs/dbraw/zinc/31/79/58/979317958.db2.gz YJRJYXDKKLLDRR-HNNXBMFYSA-N -1 0 384.454 0.815 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)SC ZINC001595062966 979321267 /nfs/dbraw/zinc/32/12/67/979321267.db2.gz IHPZVJUZZKBZES-LLVKDONJSA-N -1 0 383.474 0.788 20 0 GCADRM CCC(CC)(CNC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)[O-] ZINC001595064635 979327075 /nfs/dbraw/zinc/32/70/75/979327075.db2.gz YLPAIQYTEIOFNW-CYBMUJFWSA-N -1 0 380.445 0.890 20 0 GCADRM C[C@](CO)(NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[O-] ZINC001592755363 979329995 /nfs/dbraw/zinc/32/99/95/979329995.db2.gz FNBFODSJYDVZCO-GFCCVEGCSA-N -1 0 384.332 0.093 20 0 GCADRM COC(=O)Nc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000843047569 979332515 /nfs/dbraw/zinc/33/25/15/979332515.db2.gz XIMMFFDTLRLHQO-UHFFFAOYSA-N -1 0 379.369 0.801 20 0 GCADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000843331858 979340471 /nfs/dbraw/zinc/34/04/71/979340471.db2.gz BJVMOOXQXUWIIF-KRWDZBQOSA-N -1 0 398.437 0.260 20 0 GCADRM CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC000844157750 979347695 /nfs/dbraw/zinc/34/76/95/979347695.db2.gz QRTHAWWJKWERLX-CYBMUJFWSA-N -1 0 393.425 0.825 20 0 GCADRM Cc1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1-n1cnnn1 ZINC000844158099 979348676 /nfs/dbraw/zinc/34/86/76/979348676.db2.gz TZSACIVWRDDALH-CYBMUJFWSA-N -1 0 382.384 0.738 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])cc1 ZINC001592762001 979354240 /nfs/dbraw/zinc/35/42/40/979354240.db2.gz NGFDMFZDPFTZMO-MEBBXXQBSA-N -1 0 376.406 0.278 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001592762996 979360962 /nfs/dbraw/zinc/36/09/62/979360962.db2.gz YHQCVLSCYQZATK-LBPRGKRZSA-N -1 0 392.433 0.974 20 0 GCADRM NS(=O)(=O)c1ccc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C(=O)[O-])c1 ZINC000844214025 979374001 /nfs/dbraw/zinc/37/40/01/979374001.db2.gz NIXYZIDCTWPHAN-AWEZNQCLSA-N -1 0 380.426 0.705 20 0 GCADRM CCC(CC)(CO)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001595088754 979380900 /nfs/dbraw/zinc/38/09/00/979380900.db2.gz VBVNNQJLNZJZNI-UIORMTCPSA-N -1 0 390.502 0.895 20 0 GCADRM CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000844243754 979388647 /nfs/dbraw/zinc/38/86/47/979388647.db2.gz HPLZZGKHICMMKM-AWEZNQCLSA-N -1 0 378.425 0.788 20 0 GCADRM CCC(CC)(NC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C)C(=O)[O-] ZINC001595093343 979391117 /nfs/dbraw/zinc/39/11/17/979391117.db2.gz RTVYITCRXJLMSE-UHFFFAOYSA-N -1 0 386.416 0.624 20 0 GCADRM CCC(CC)C(=O)N1CCC(NC(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)CC1 ZINC001595101746 979411512 /nfs/dbraw/zinc/41/15/12/979411512.db2.gz BWXJJVCINLQKTA-GJZGRUSLSA-N -1 0 397.472 0.929 20 0 GCADRM C[C@H](CS(=O)(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C(=O)[O-] ZINC001592806475 979469545 /nfs/dbraw/zinc/46/95/45/979469545.db2.gz HUZLAXYZHLFWEF-MUWHJKNJSA-N -1 0 392.231 0.347 20 0 GCADRM C[C@H](CS(=O)(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)C(=O)[O-] ZINC001592808322 979481861 /nfs/dbraw/zinc/48/18/61/979481861.db2.gz RFZPRNXFJWHAJA-OAHLLOKOSA-N -1 0 381.498 0.981 20 0 GCADRM COc1cc2c(cc1S(=O)(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)NCCC2 ZINC000849218521 979488018 /nfs/dbraw/zinc/48/80/18/979488018.db2.gz YEZKDQWATMVYTM-QGZVFWFLSA-N -1 0 382.438 0.857 20 0 GCADRM C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001592822410 979528087 /nfs/dbraw/zinc/52/80/87/979528087.db2.gz MANWFSRCTIGYJK-FTALCUKOSA-N -1 0 378.353 0.808 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H]2CCCC[C@@H]12 ZINC000851617961 979542918 /nfs/dbraw/zinc/54/29/18/979542918.db2.gz GNDZLXZOYSBSKN-RRFJBIMHSA-N -1 0 393.465 0.976 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1)Oc1cccc(F)c1 ZINC001595131054 979547614 /nfs/dbraw/zinc/54/76/14/979547614.db2.gz IUWAIIIMIVYJRF-UGSOOPFHSA-N -1 0 382.388 0.801 20 0 GCADRM CO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)[C@@H](C(=O)[O-])C1 ZINC000851622974 979556947 /nfs/dbraw/zinc/55/69/47/979556947.db2.gz WJXHFFVRQSKIEQ-GXTWGEPZSA-N -1 0 386.426 0.573 20 0 GCADRM O=C([O-])c1cn(C2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)nn1 ZINC000851623087 979556995 /nfs/dbraw/zinc/55/69/95/979556995.db2.gz KPNVTFIXLUAODU-UHFFFAOYSA-N -1 0 382.384 0.494 20 0 GCADRM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN(CCN1CCOCC1)CC(=O)[O-] ZINC001592832879 979566034 /nfs/dbraw/zinc/56/60/34/979566034.db2.gz XERIOESJDAJJBL-AWEZNQCLSA-N -1 0 399.438 0.731 20 0 GCADRM CC[C@H](CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)[O-] ZINC001595139622 979594725 /nfs/dbraw/zinc/59/47/25/979594725.db2.gz UNWTUSVEWYAZPL-OLZOCXBDSA-N -1 0 385.461 0.977 20 0 GCADRM O=C([O-])c1cccc2c1CCN(C(=O)C1=CN3CCS(=O)(=O)N=C3C=C1)C2 ZINC000856968917 979616227 /nfs/dbraw/zinc/61/62/27/979616227.db2.gz WAQGWLXWDKLPJX-UHFFFAOYSA-N -1 0 387.417 0.767 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cc1)C(=O)[O-] ZINC001592852650 979637175 /nfs/dbraw/zinc/63/71/75/979637175.db2.gz CPGHAUZIAVCWDL-KGLIPLIRSA-N -1 0 377.441 0.413 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NCC2(S(C)(=O)=O)CC2)cc1)C(=O)[O-] ZINC001592852836 979638598 /nfs/dbraw/zinc/63/85/98/979638598.db2.gz FWSDTVFSRZICFO-NSHDSACASA-N -1 0 382.438 0.582 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC001592852863 979639410 /nfs/dbraw/zinc/63/94/10/979639410.db2.gz GNIAGQMVIWRRGQ-BXUZGUMPSA-N -1 0 382.438 0.582 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCCC2CS(=O)(=O)C2)cc1)C(=O)[O-] ZINC001592854071 979648164 /nfs/dbraw/zinc/64/81/64/979648164.db2.gz QGRFLIPMICCLKU-LLVKDONJSA-N -1 0 382.438 0.439 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NC[C@]2(CCO)CCOC2)cc1)C(=O)[O-] ZINC001592854901 979657906 /nfs/dbraw/zinc/65/79/06/979657906.db2.gz XNUWXISWUYRNJF-DJJJIMSYSA-N -1 0 378.425 0.794 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC[C@H]1C(=O)[O-] ZINC000863748249 979676624 /nfs/dbraw/zinc/67/66/24/979676624.db2.gz NPYCHUHMZFGVSL-XJKSGUPXSA-N -1 0 385.424 0.795 20 0 GCADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)o1 ZINC000864105054 979691015 /nfs/dbraw/zinc/69/10/15/979691015.db2.gz HXEFCUJCLFLOGL-GQCTYLIASA-N -1 0 375.381 0.284 20 0 GCADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 ZINC000864121584 979717882 /nfs/dbraw/zinc/71/78/82/979717882.db2.gz KPCSYMKZDCGKPL-KGLIPLIRSA-N -1 0 390.314 0.715 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595172019 979739488 /nfs/dbraw/zinc/73/94/88/979739488.db2.gz URDVHRBYPMTCQZ-WBMJQRKESA-N -1 0 391.490 0.106 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595172017 979739607 /nfs/dbraw/zinc/73/96/07/979739607.db2.gz URDVHRBYPMTCQZ-LRDDRELGSA-N -1 0 391.490 0.106 20 0 GCADRM CC[C@H](CO)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001595175844 979761580 /nfs/dbraw/zinc/76/15/80/979761580.db2.gz HFXNHPIXRGIJNH-GFCCVEGCSA-N -1 0 379.413 0.389 20 0 GCADRM COCCCS(=O)(=O)N1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864157599 979769101 /nfs/dbraw/zinc/76/91/01/979769101.db2.gz OOWXBVKKIYGUQM-ARJAWSKDSA-N -1 0 386.426 0.502 20 0 GCADRM CC[C@H](CO)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC001595176722 979770282 /nfs/dbraw/zinc/77/02/82/979770282.db2.gz YHSSONFPQKQZMJ-SNVBAGLBSA-N -1 0 376.456 0.298 20 0 GCADRM C[C@@H](Cc1cccs1)NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001592900085 979817377 /nfs/dbraw/zinc/81/73/77/979817377.db2.gz NXNDVBJAUNWGMX-QWRGUYRKSA-N -1 0 377.426 0.559 20 0 GCADRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001592906085 979842016 /nfs/dbraw/zinc/84/20/16/979842016.db2.gz KKUGRVMPUDJAFY-NHYWBVRUSA-N -1 0 377.422 0.519 20 0 GCADRM COCCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC000864191311 979845272 /nfs/dbraw/zinc/84/52/72/979845272.db2.gz DNQSNXJNMKHBKV-UHFFFAOYSA-N -1 0 382.394 0.833 20 0 GCADRM CC[C@@](COC)(NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001595188845 979865598 /nfs/dbraw/zinc/86/55/98/979865598.db2.gz UVSXHNMDLMYKCT-QLXKLKPCSA-N -1 0 385.438 0.952 20 0 GCADRM CC[C@](COC)(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)OC ZINC001595189658 979876947 /nfs/dbraw/zinc/87/69/47/979876947.db2.gz SZXSKNBLBOBLSU-PIGZYNQJSA-N -1 0 390.433 0.829 20 0 GCADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)C2 ZINC000864210098 979894497 /nfs/dbraw/zinc/89/44/97/979894497.db2.gz JURVVGJJEZHVIC-GLJUWKHASA-N -1 0 393.465 0.852 20 0 GCADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 ZINC000864210487 979895328 /nfs/dbraw/zinc/89/53/28/979895328.db2.gz XQXYNTKFLIRKAA-GDLVEWKHSA-N -1 0 384.410 0.284 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC001592917761 979897104 /nfs/dbraw/zinc/89/71/04/979897104.db2.gz UGYISPWKNHLXHU-INIZCTEOSA-N -1 0 377.401 0.097 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)[O-] ZINC001592917942 979898825 /nfs/dbraw/zinc/89/88/25/979898825.db2.gz WEYRZUNHZNGAEM-MYLCLEHYSA-N -1 0 395.485 0.568 20 0 GCADRM C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC001592918364 979904379 /nfs/dbraw/zinc/90/43/79/979904379.db2.gz JFCLKMUIBRKRCE-GDBMZVCRSA-N -1 0 386.456 0.972 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001592918455 979905573 /nfs/dbraw/zinc/90/55/73/979905573.db2.gz KWSIBPGGDJHLIN-KDOFPFPSSA-N -1 0 390.396 0.130 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)[O-] ZINC001592923397 979923393 /nfs/dbraw/zinc/92/33/93/979923393.db2.gz ABEAFOGOQMOQER-QGZVFWFLSA-N -1 0 394.453 0.248 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)[O-] ZINC001595198896 979932826 /nfs/dbraw/zinc/93/28/26/979932826.db2.gz QEWMFYQHNQJJPP-CYBMUJFWSA-N -1 0 376.822 0.849 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC001595199170 979935522 /nfs/dbraw/zinc/93/55/22/979935522.db2.gz UYEUKGIUQDFRQU-ZDUSSCGKSA-N -1 0 398.434 0.355 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(OCC(=O)OC)cc1)C(=O)[O-] ZINC001595199270 979938110 /nfs/dbraw/zinc/93/81/10/979938110.db2.gz ZILCJBMYDLEVIG-HNNXBMFYSA-N -1 0 375.399 0.397 20 0 GCADRM C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592925973 979946247 /nfs/dbraw/zinc/94/62/47/979946247.db2.gz MOBQAXRJROHKSJ-OPXGVBIBSA-N -1 0 384.458 0.381 20 0 GCADRM COc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000868351085 979952515 /nfs/dbraw/zinc/95/25/15/979952515.db2.gz QXQJSHFISDMRNU-KXBFYZLASA-N -1 0 376.409 0.918 20 0 GCADRM CC[C@H](CS(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)OC ZINC001595203376 979964165 /nfs/dbraw/zinc/96/41/65/979964165.db2.gz QVFQFYYQLRDVTO-MWLCHTKSSA-N -1 0 376.456 0.896 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001592931383 979981548 /nfs/dbraw/zinc/98/15/48/979981548.db2.gz VUNORQPARKQWPK-PXAZEXFGSA-N -1 0 379.438 0.821 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)Cc1ccc(C(N)=O)nc1)C(=O)[O-] ZINC001592932320 979989602 /nfs/dbraw/zinc/98/96/02/979989602.db2.gz YWYNBELYIODEFG-IBGZPJMESA-N -1 0 381.392 0.732 20 0 GCADRM CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595213643 980008292 /nfs/dbraw/zinc/00/82/92/980008292.db2.gz ULFWKXHBKYQVLU-CABCVRRESA-N -1 0 385.424 0.887 20 0 GCADRM CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001595221365 980051872 /nfs/dbraw/zinc/05/18/72/980051872.db2.gz DMARMRFKTQIZPF-SNVBAGLBSA-N -1 0 391.458 0.961 20 0 GCADRM C[C@H](N1CCN(CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)CC1)C(F)(F)F ZINC001592968930 980098284 /nfs/dbraw/zinc/09/82/84/980098284.db2.gz PZXUWEZUVQTYSH-HZMBPMFUSA-N -1 0 380.367 0.688 20 0 GCADRM C[C@H](N1CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1)C(F)(F)F ZINC001592969199 980098842 /nfs/dbraw/zinc/09/88/42/980098842.db2.gz RKBXEMKCMIJHBS-JQWIXIFHSA-N -1 0 379.379 0.699 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(F)F)CC1)c1ncc(C(=O)[O-])s1 ZINC001592970768 980123647 /nfs/dbraw/zinc/12/36/47/980123647.db2.gz KLFJDNOQGREBHN-HTQZYQBOSA-N -1 0 377.369 0.901 20 0 GCADRM CC[C@H](NC(=O)[C@@H]1[C@H](C)CC(=O)C[C@H]1C(=O)N[C@@H](CC)C(=O)OC)C(=O)[O-] ZINC001595236499 980135745 /nfs/dbraw/zinc/13/57/45/980135745.db2.gz FYDJSHBQTSAUIM-QKGWFMCXSA-N -1 0 384.429 0.265 20 0 GCADRM C[C@H](NC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001592978542 980141262 /nfs/dbraw/zinc/14/12/62/980141262.db2.gz FGUFTRUFXPDUKX-WVQJBOLRSA-N -1 0 376.417 0.289 20 0 GCADRM C[C@H](NC(=O)C(=O)NCCN1CCOCC1(C)C)c1ncc(C(=O)[O-])s1 ZINC001592978763 980142013 /nfs/dbraw/zinc/14/20/13/980142013.db2.gz LYXOUMWRCOYTNX-JTQLQIEISA-N -1 0 384.458 0.246 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)c1nnc2ccccn21 ZINC001592980715 980152574 /nfs/dbraw/zinc/15/25/74/980152574.db2.gz YJNPLFDHGLINPT-GFCCVEGCSA-N -1 0 381.392 0.964 20 0 GCADRM C[C@@H](NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)c1ncc(C(=O)[O-])s1 ZINC001592981387 980157208 /nfs/dbraw/zinc/15/72/08/980157208.db2.gz RVSAFLMBCIDRCZ-JGVFFNPUSA-N -1 0 378.414 0.434 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[C@H](C)N1CCOCC1 ZINC001592981594 980159862 /nfs/dbraw/zinc/15/98/62/980159862.db2.gz WOMQWQFFCVQOQA-OLZOCXBDSA-N -1 0 375.425 0.452 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)C(=O)NCC(F)(F)F ZINC001592986858 980163597 /nfs/dbraw/zinc/16/35/97/980163597.db2.gz GSCVHPLOAAJGFX-LURJTMIESA-N -1 0 379.266 0.646 20 0 GCADRM 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Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001599941673 985462296 /nfs/dbraw/zinc/46/22/96/985462296.db2.gz WZZUGSRKRBCCIR-UHFFFAOYSA-N -1 0 388.380 0.912 20 0 GCADRM CC(=O)NCc1ccc(S(=O)(=O)N2CCSC[C@@H](C(=O)[O-])C2)s1 ZINC001589149750 985466027 /nfs/dbraw/zinc/46/60/27/985466027.db2.gz MLBTXEXIDCCFER-JTQLQIEISA-N -1 0 378.497 0.823 20 0 GCADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])C(N)=O ZINC001589152559 985473937 /nfs/dbraw/zinc/47/39/37/985473937.db2.gz BGLOUJXCADORNG-BPUTZDHNSA-N -1 0 375.425 0.446 20 0 GCADRM CC(=O)N[C@@H](CC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)C(N)=O ZINC001589153176 985476481 /nfs/dbraw/zinc/47/64/81/985476481.db2.gz RBPLJBZKTBTTTN-VIFPVBQESA-N -1 0 390.165 0.605 20 0 GCADRM CC(=O)N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C(N)=O ZINC001589153429 985477245 /nfs/dbraw/zinc/47/72/45/985477245.db2.gz XFYLUYRGUNMARI-JQWIXIFHSA-N -1 0 375.303 0.327 20 0 GCADRM CC(=O)N[C@@H](C[S@](=O)Cc1c(Cl)n(C)nc1C(F)(F)F)C(=O)[O-] ZINC001589155057 985477952 /nfs/dbraw/zinc/47/79/52/985477952.db2.gz BJTCNFNMBJIOKT-SYDQRWKJSA-N -1 0 375.756 0.930 20 0 GCADRM CC(=O)N[C@@H](C[S@@](=O)CC(=O)Nc1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC001589155071 985478011 /nfs/dbraw/zinc/47/80/11/985478011.db2.gz BQRSQHGFGORCDA-PGGUUEOZSA-N -1 0 395.437 0.090 20 0 GCADRM CC(=O)N[C@@H](CS(=O)(=O)CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001589155118 985478066 /nfs/dbraw/zinc/47/80/66/985478066.db2.gz CZAXBXLDGWYXGJ-JTQLQIEISA-N -1 0 397.236 0.936 20 0 GCADRM CC(=O)N[C@@H](CS(=O)(=O)CC(=O)N(Cc1ccc(C)cc1)C1CC1)C(=O)[O-] ZINC001589155381 985478802 /nfs/dbraw/zinc/47/88/02/985478802.db2.gz FYGNIJRCXQASPM-INIZCTEOSA-N -1 0 396.465 0.490 20 0 GCADRM CC(=O)N[C@@H](CS(=O)(=O)Cc1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001589155772 985480757 /nfs/dbraw/zinc/48/07/57/985480757.db2.gz KZGHPVZBLJTJFG-ZDUSSCGKSA-N -1 0 387.364 0.655 20 0 GCADRM CC(=O)N[C@@H](C[S@](=O)CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001589155834 985480759 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CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1 ZINC001589985933 988888754 /nfs/dbraw/zinc/88/87/54/988888754.db2.gz YBIMZBSXITWJKB-UHFFFAOYSA-N -1 0 386.445 0.841 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCCOCC(=O)[O-])[nH]n2)C1 ZINC001589990618 988892112 /nfs/dbraw/zinc/89/21/12/988892112.db2.gz CMBNUAOEJDKEDC-NSHDSACASA-N -1 0 382.417 0.965 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC001589991044 988892268 /nfs/dbraw/zinc/89/22/68/988892268.db2.gz CXQZRTJGWDSSIR-GFCCVEGCSA-N -1 0 392.474 0.891 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])n[nH]2)C1 ZINC001589991082 988893458 /nfs/dbraw/zinc/89/34/58/988893458.db2.gz FCPFQIJAMJPIIP-WDMOLILDSA-N -1 0 394.428 0.794 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)[O-] ZINC001599843613 988894697 /nfs/dbraw/zinc/89/46/97/988894697.db2.gz LYUNMZHNGSMTIQ-PSLIRLAXSA-N -1 0 398.462 0.706 20 0 GCADRM 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CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001590067331 989140384 /nfs/dbraw/zinc/14/03/84/989140384.db2.gz RSYQUWZSMVKLSJ-GFCCVEGCSA-N -1 0 395.412 0.299 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599859272 989141088 /nfs/dbraw/zinc/14/10/88/989141088.db2.gz BFPCYIHJPVCTFB-DOMZBBRYSA-N -1 0 377.397 0.865 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC001590067607 989142462 /nfs/dbraw/zinc/14/24/62/989142462.db2.gz USMUKGYZRTXZKJ-GFCCVEGCSA-N -1 0 392.474 0.939 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N(CC(=O)[O-])C2CC2)C1 ZINC001590067694 989143551 /nfs/dbraw/zinc/14/35/51/989143551.db2.gz VNYFOEJYSPXREE-GFCCVEGCSA-N -1 0 378.447 0.501 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])[nH]n2)C1 ZINC001590067945 989146754 /nfs/dbraw/zinc/14/67/54/989146754.db2.gz ZEDDTXPRYNTYGV-VIFPVBQESA-N -1 0 390.418 0.022 20 0 GCADRM 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CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001590074656 989165434 /nfs/dbraw/zinc/16/54/34/989165434.db2.gz PCVPSHCKDCCYSP-RYUDHWBXSA-N -1 0 394.432 0.942 20 0 GCADRM CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N[C@H](CO)C(=O)[O-])C1 ZINC001590074906 989169713 /nfs/dbraw/zinc/16/97/13/989169713.db2.gz JWHPCSPIMBFGDC-CYBMUJFWSA-N -1 0 380.397 0.991 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC[C@@H]2C(=O)[O-])C1 ZINC001590075177 989173558 /nfs/dbraw/zinc/17/35/58/989173558.db2.gz OEFCNNAJUUREAE-GHMZBOCLSA-N -1 0 376.431 0.096 20 0 GCADRM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NCC(=O)NCC(=O)[O-] ZINC001590075324 989176188 /nfs/dbraw/zinc/17/61/88/989176188.db2.gz PTSDSNJORKWYLU-JTQLQIEISA-N -1 0 375.447 0.046 20 0 GCADRM CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N[C@H](CO)C(=O)[O-])ccc2C1 ZINC001590075383 989176523 /nfs/dbraw/zinc/17/65/23/989176523.db2.gz SKIRUTGEPUIKJM-CYBMUJFWSA-N -1 0 380.397 0.991 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC2(CC(=O)[O-])CC2)C1 ZINC001590075597 989179392 /nfs/dbraw/zinc/17/93/92/989179392.db2.gz YFHJHTBDYRUPLP-LLVKDONJSA-N -1 0 390.458 0.534 20 0 GCADRM CCc1nsc(N2CCN(CN3C(=O)N[C@](C)(CCC(=O)[O-])C3=O)CC2)n1 ZINC001597760656 989181725 /nfs/dbraw/zinc/18/17/25/989181725.db2.gz GFIVAAJSGHKNEY-MRXNPFEDSA-N -1 0 396.473 0.355 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC[C@@]3(C(=O)[O-])CCOC3)c2C1 ZINC001590082427 989183628 /nfs/dbraw/zinc/18/36/28/989183628.db2.gz GUZRCFZYKPIQEI-SFHVURJKSA-N -1 0 394.428 0.924 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590084877 989197875 /nfs/dbraw/zinc/19/78/75/989197875.db2.gz LJEITXJWEYKWIN-MRXNPFEDSA-N -1 0 391.424 0.838 20 0 GCADRM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)C[C@H]1CC(=O)[O-] ZINC001599863402 989205812 /nfs/dbraw/zinc/20/58/12/989205812.db2.gz OHEDXRQIYPKBIY-TZMCWYRMSA-N -1 0 384.454 0.482 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001590091171 989205974 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GCADRM C[C@@H]1CN(c2nnc([C@]3(O)CCOC3)n2C[C@@H]2CCCCO2)C[C@H]1C(=O)[O-] ZINC001599869791 989330491 /nfs/dbraw/zinc/33/04/91/989330491.db2.gz IEJIJWCNBHTPJR-NPSOMJIGSA-N -1 0 380.445 0.612 20 0 GCADRM C[C@@H]1CN(c2nnc([C@]3(O)CCOC3)n2C[C@@H]2CCCO2)C[C@H]1CC(=O)[O-] ZINC001599870160 989335807 /nfs/dbraw/zinc/33/58/07/989335807.db2.gz MIZNJYYHYGVECO-ZXTQRBJTSA-N -1 0 380.445 0.612 20 0 GCADRM C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N[C@@H]3C(F)(F)F)n2C)C[C@H]1C(=O)[O-] ZINC001599870197 989337657 /nfs/dbraw/zinc/33/76/57/989337657.db2.gz NKRGXIHSVPPMFF-LOKLDPHHSA-N -1 0 375.351 0.897 20 0 GCADRM C[C@@H]1CN(c2nnc(C[C@H]3CCNC(=O)C3)n2CC2CC2)C[C@@H](C(=O)[O-])O1 ZINC001599870332 989340005 /nfs/dbraw/zinc/34/00/05/989340005.db2.gz PKVGNXFXULSSJL-BNOWGMLFSA-N -1 0 377.445 0.435 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCCS(=O)(=O)CC1 ZINC001590119815 989340307 /nfs/dbraw/zinc/34/03/07/989340307.db2.gz XLDQZCWATHKKQM-LLVKDONJSA-N -1 0 378.447 0.392 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC001590124220 989347170 /nfs/dbraw/zinc/34/71/70/989347170.db2.gz IJZRPVNLTCGEFE-CYBMUJFWSA-N -1 0 383.445 0.729 20 0 GCADRM C[C@@H]1C[C@H](C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)O[C@H]1C(=O)[O-] ZINC001599871273 989353667 /nfs/dbraw/zinc/35/36/67/989353667.db2.gz WSSBBKCTMODLIX-LERXQTSPSA-N -1 0 386.426 0.049 20 0 GCADRM CC(C)(C)OC(=O)N[C@]1(C(=O)NC[C@H](O)C(=O)[O-])[C@@H]2CCCO[C@@H]2C1(C)C ZINC001590126050 989367541 /nfs/dbraw/zinc/36/75/41/989367541.db2.gz ZVZNGSVAEDCCRX-LEGQTRPTSA-N -1 0 386.445 0.647 20 0 GCADRM CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])COC1 ZINC001590127762 989372692 /nfs/dbraw/zinc/37/26/92/989372692.db2.gz OQKNNWFNQKJHAU-ZDUSSCGKSA-N -1 0 379.413 0.877 20 0 GCADRM C[C@@H]1CN(c2nnnn2CCCn2cc(Br)cn2)C[C@H]1C(=O)[O-] ZINC001599872599 989373198 /nfs/dbraw/zinc/37/31/98/989373198.db2.gz ZFMAKPQAQAIGPS-MWLCHTKSSA-N -1 0 384.238 0.879 20 0 GCADRM CC(C)(C)OC(=O)NC1(CNS(=O)(=O)CCCC(=O)[O-])CCOCC1 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UTPKNPQNJUTJDT-KGLIPLIRSA-N -1 0 385.461 0.535 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCN(CC(=O)[O-])CC2)C1 ZINC001590148276 989439185 /nfs/dbraw/zinc/43/91/85/989439185.db2.gz WFIZLARNTNHABD-FZKQIMNGSA-N -1 0 385.461 0.678 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001590149044 989445644 /nfs/dbraw/zinc/44/56/44/989445644.db2.gz XXRDQJZUFNHEHU-LPWJVIDDSA-N -1 0 383.445 0.918 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001590150506 989451005 /nfs/dbraw/zinc/45/10/05/989451005.db2.gz MTBOEFNAEQHJEJ-CYBMUJFWSA-N -1 0 397.403 0.751 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001590151050 989452660 /nfs/dbraw/zinc/45/26/60/989452660.db2.gz XDKMGGGUAHWWQL-RWMBFGLXSA-N -1 0 383.445 0.729 20 0 GCADRM CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001590153566 989455792 /nfs/dbraw/zinc/45/57/92/989455792.db2.gz DNNJKUXVDXPDOH-SECBINFHSA-N -1 0 377.348 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383.489 0.704 20 0 GCADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC001598471468 992032952 /nfs/dbraw/zinc/03/29/52/992032952.db2.gz OPZCXDYPXVNZGX-ZDUSSCGKSA-N -1 0 397.432 0.640 20 0 GCADRM CS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001599754427 992033404 /nfs/dbraw/zinc/03/34/04/992033404.db2.gz VFXWKGGNQIIMMI-OAHLLOKOSA-N -1 0 395.481 0.995 20 0 GCADRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC001598471562 992033995 /nfs/dbraw/zinc/03/39/95/992033995.db2.gz UJIKPXXBJNWMMZ-LLVKDONJSA-N -1 0 381.248 0.723 20 0 GCADRM CS(=O)(=O)N1CC(CNC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1 ZINC001599754471 992034651 /nfs/dbraw/zinc/03/46/51/992034651.db2.gz XANSLFRPVTYFDG-QGZVFWFLSA-N -1 0 381.454 0.316 20 0 GCADRM CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001599754751 992038084 /nfs/dbraw/zinc/03/80/84/992038084.db2.gz CFDGLBZKXQIFCW-LLVKDONJSA-N -1 0 394.446 0.616 20 0 GCADRM 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LKWUNTPLZHLBJL-MNOVXSKESA-N -1 0 385.446 0.139 20 0 GCADRM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC001598669565 994732137 /nfs/dbraw/zinc/73/21/37/994732137.db2.gz OEKITYKURAUFBS-NSHDSACASA-N -1 0 394.446 0.535 20 0 GCADRM COc1cccc([C@@H]2CN(C(=O)NCCC(=O)NCCC(=O)[O-])CCO2)c1 ZINC001599666309 994735475 /nfs/dbraw/zinc/73/54/75/994735475.db2.gz PPZFAQIHNYORPR-HNNXBMFYSA-N -1 0 379.413 0.759 20 0 GCADRM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001598670107 994741824 /nfs/dbraw/zinc/74/18/24/994741824.db2.gz YQEQZZXDBCYKMJ-QMMMGPOBSA-N -1 0 377.448 0.101 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001598670761 994752767 /nfs/dbraw/zinc/75/27/67/994752767.db2.gz HWHRPQCNBSEHQK-NSHDSACASA-N -1 0 383.426 0.172 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001598670833 994753581 /nfs/dbraw/zinc/75/35/81/994753581.db2.gz JRJYVLMAXOBGHQ-SNVBAGLBSA-N -1 0 375.472 0.917 20 0 GCADRM CNS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001598671058 994757725 /nfs/dbraw/zinc/75/77/25/994757725.db2.gz IYFJOVDKGHQXQN-GFCCVEGCSA-N -1 0 399.469 0.503 20 0 GCADRM CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC001598671069 994757846 /nfs/dbraw/zinc/75/78/46/994757846.db2.gz JAVRTLQUXFEJJL-RISCZKNCSA-N -1 0 385.442 0.119 20 0 GCADRM CNS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC001598671146 994758699 /nfs/dbraw/zinc/75/86/99/994758699.db2.gz NANXBQIJCGXEDP-HIFPTAJRSA-N -1 0 382.504 0.221 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC001598671149 994759076 /nfs/dbraw/zinc/75/90/76/994759076.db2.gz NANXBQIJCGXEDP-PNESKVBLSA-N -1 0 382.504 0.221 20 0 GCADRM COc1cccc([C@@H]2CC(=O)N(CN(CCN3CCOCC3)CC(=O)[O-])C2)c1 ZINC001599667882 994760976 /nfs/dbraw/zinc/76/09/76/994760976.db2.gz VEFXEFBIZXQGLI-QGZVFWFLSA-N -1 0 391.468 0.687 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001598671302 994762039 /nfs/dbraw/zinc/76/20/39/994762039.db2.gz PASIUVNSSXLTDV-CYBMUJFWSA-N -1 0 390.483 0.476 20 0 GCADRM CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001598671436 994763985 /nfs/dbraw/zinc/76/39/85/994763985.db2.gz LQMBGZJIWXSVFY-LBPRGKRZSA-N -1 0 399.498 0.391 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598671525 994765377 /nfs/dbraw/zinc/76/53/77/994765377.db2.gz QBMBGLMAIFQPMA-JTQLQIEISA-N -1 0 396.874 0.741 20 0 GCADRM COc1cccc(C[C@@H](NC(=O)c2cc(S(N)(=O)=O)oc2C)C(=O)[O-])c1 ZINC001599668221 994766167 /nfs/dbraw/zinc/76/61/67/994766167.db2.gz FAENIMRVFHLKHR-CYBMUJFWSA-N -1 0 382.394 0.670 20 0 GCADRM CNS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC001598671707 994768248 /nfs/dbraw/zinc/76/82/48/994768248.db2.gz OPUMZMCNEKIYOG-CYBMUJFWSA-N -1 0 375.491 0.512 20 0 GCADRM COc1cccc([C@@H]2[C@@H](C(=O)N3CC[C@@](O)(C(=O)[O-])C3)CC(=O)N2C2CC2)c1 ZINC001599668470 994769526 /nfs/dbraw/zinc/76/95/26/994769526.db2.gz 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CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC001598673168 994793556 /nfs/dbraw/zinc/79/35/56/994793556.db2.gz SFHBEKSOJYEUBP-NSHDSACASA-N -1 0 390.483 0.830 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)ccc1F ZINC001598673190 994795002 /nfs/dbraw/zinc/79/50/02/994795002.db2.gz IKOFQVMTQUVNRF-CQSZACIVSA-N -1 0 382.369 0.995 20 0 GCADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)Nc2c(C(=O)[O-])cnn2C)cc1 ZINC001598673370 994797165 /nfs/dbraw/zinc/79/71/65/994797165.db2.gz XXOBRMUAXUFRHS-SECBINFHSA-N -1 0 381.414 0.909 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)ccc1OC ZINC001598673492 994800501 /nfs/dbraw/zinc/80/05/01/994800501.db2.gz QOEAHPLRWAKIMC-HNNXBMFYSA-N -1 0 394.405 0.865 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC001598673696 994803792 /nfs/dbraw/zinc/80/37/92/994803792.db2.gz FEEHANDWAFBMIR-NEPJUHHUSA-N -1 0 383.426 0.211 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])co1 ZINC001598673712 994804047 /nfs/dbraw/zinc/80/40/47/994804047.db2.gz XDSZNZOPRCSOHW-LBPRGKRZSA-N -1 0 386.357 0.589 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)ccc1OC ZINC001598673748 994805131 /nfs/dbraw/zinc/80/51/31/994805131.db2.gz YVTRQXGUTMQSED-OAHLLOKOSA-N -1 0 394.405 0.865 20 0 GCADRM C[C@H](NCc1nccn1S(=O)(=O)N(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593315824 994806740 /nfs/dbraw/zinc/80/67/40/994806740.db2.gz CWVBYRXMZNKEOD-DZGCQCFKSA-N -1 0 380.470 0.959 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1 ZINC001598673974 994809821 /nfs/dbraw/zinc/80/98/21/994809821.db2.gz LEOMSUMTAVTXPL-OCCSQVGLSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])cc1 ZINC001598674057 994809844 /nfs/dbraw/zinc/80/98/44/994809844.db2.gz NSPKNLUQBUGESU-GXTWGEPZSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1ccc(Br)c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC001598674327 994814230 /nfs/dbraw/zinc/81/42/30/994814230.db2.gz BSTJCWKDRXOWNA-ZETCQYMHSA-N -1 0 379.232 0.902 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cn1 ZINC001598674407 994815921 /nfs/dbraw/zinc/81/59/21/994815921.db2.gz HULBJKQXHGBOOP-UHFFFAOYSA-N -1 0 375.406 0.886 20 0 GCADRM CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])nc2)cc1 ZINC001598674715 994822107 /nfs/dbraw/zinc/82/21/07/994822107.db2.gz YGFADQJFTKMLAX-UHFFFAOYSA-N -1 0 377.422 0.937 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cn1 ZINC001598674940 994825874 /nfs/dbraw/zinc/82/58/74/994825874.db2.gz SLNIIZHZIIKNNQ-UHFFFAOYSA-N -1 0 378.410 0.502 20 0 GCADRM CNS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC001598675078 994828611 /nfs/dbraw/zinc/82/86/11/994828611.db2.gz CJEQHDQURRLYCE-ZDUSSCGKSA-N -1 0 383.470 0.744 20 0 GCADRM C[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC001593318485 994833677 /nfs/dbraw/zinc/83/36/77/994833677.db2.gz ANIPAWNULKFKCZ-LLVKDONJSA-N -1 0 378.472 0.959 20 0 GCADRM CNS(=O)(=O)c1ccc(CNC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)s1 ZINC001598675450 994834880 /nfs/dbraw/zinc/83/48/80/994834880.db2.gz WHNRVNTYHGREIB-WPRPVWTQSA-N -1 0 377.444 0.040 20 0 GCADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001598675483 994835849 /nfs/dbraw/zinc/83/58/49/994835849.db2.gz YKPCLUZKBIQBET-GFCCVEGCSA-N -1 0 386.817 0.537 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001598675572 994837474 /nfs/dbraw/zinc/83/74/74/994837474.db2.gz DRCUYDKRYDGZOC-GFCCVEGCSA-N -1 0 390.464 0.760 20 0 GCADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C2 ZINC001598675741 994839597 /nfs/dbraw/zinc/83/95/97/994839597.db2.gz IGBVEPYRVVBDGE-WDBKCZKBSA-N -1 0 382.438 0.358 20 0 GCADRM CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CC[C@H](C(=O)[O-])C2)c1 ZINC001598675802 994840564 /nfs/dbraw/zinc/84/05/64/994840564.db2.gz MOCYFVHKUVHTRC-ZDUSSCGKSA-N -1 0 379.442 0.454 20 0 GCADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)Cc1ccc(C(=O)[O-])nc1)C2 ZINC001598676002 994844473 /nfs/dbraw/zinc/84/44/73/994844473.db2.gz UMALHFLTQLDBEQ-UHFFFAOYSA-N -1 0 389.433 0.815 20 0 GCADRM CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C2 ZINC001598676003 994844639 /nfs/dbraw/zinc/84/46/39/994844639.db2.gz UMAPHSQUBJHBAA-UHFFFAOYSA-N -1 0 399.450 0.368 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)c1C ZINC001598675993 994844921 /nfs/dbraw/zinc/84/49/21/994844921.db2.gz UAVRZMLBCZXFDV-RYUDHWBXSA-N -1 0 385.442 0.762 20 0 GCADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001598676091 994845562 /nfs/dbraw/zinc/84/55/62/994845562.db2.gz WVOZCABHEXEXDJ-UHFFFAOYSA-N -1 0 388.423 0.673 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])c1 ZINC001598676228 994848028 /nfs/dbraw/zinc/84/80/28/994848028.db2.gz BFJFHFZKVGIWMR-INIZCTEOSA-N -1 0 390.417 0.952 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)c1 ZINC001598676495 994853249 /nfs/dbraw/zinc/85/32/49/994853249.db2.gz 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0.289 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC001598803129 996158884 /nfs/dbraw/zinc/15/88/84/996158884.db2.gz IWQSGNXFGLXPCQ-UWVGGRQHSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Cc3ccsc3)C2)C[C@@H]1C(=O)[O-] ZINC001598803250 996159380 /nfs/dbraw/zinc/15/93/80/996159380.db2.gz JWSOBRIAPJCXPP-QWHCGFSZSA-N -1 0 380.422 0.081 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593698715 996166836 /nfs/dbraw/zinc/16/68/36/996166836.db2.gz IFRTZTFQPZEZOX-JTQLQIEISA-N -1 0 376.456 0.521 20 0 GCADRM COC(=O)[C@@H]1CCS(=O)(=O)N1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001598804040 996167177 /nfs/dbraw/zinc/16/71/77/996167177.db2.gz RTTDWEQMDGVGBC-NSHDSACASA-N -1 0 377.802 0.994 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593698989 996167773 /nfs/dbraw/zinc/16/77/73/996167773.db2.gz JVIWBLQVUBMCTQ-XHVZSJERSA-N -1 0 376.456 0.520 20 0 GCADRM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001593698986 996167998 /nfs/dbraw/zinc/16/79/98/996167998.db2.gz JTUMSCPHFFZYBD-VIFPVBQESA-N -1 0 387.439 0.893 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593700033 996173549 /nfs/dbraw/zinc/17/35/49/996173549.db2.gz SVKGDKBKSHQJCE-SUHUHFCYSA-N -1 0 390.483 0.910 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)C[C@H]1C(=O)[O-] ZINC001598804794 996174599 /nfs/dbraw/zinc/17/45/99/996174599.db2.gz BNRABLBJWKLLQW-UMSGYPCISA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598804956 996176772 /nfs/dbraw/zinc/17/67/72/996176772.db2.gz CBPDAPCSMSVWNH-KBPBESRZSA-N -1 0 384.429 0.823 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001593702886 996177832 /nfs/dbraw/zinc/17/78/32/996177832.db2.gz GQJAFTBRBLFNES-SNVBAGLBSA-N -1 0 378.472 0.767 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001593703169 996179140 /nfs/dbraw/zinc/17/91/40/996179140.db2.gz LBCPNVKCSRZRBQ-SNVBAGLBSA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598805358 996180521 /nfs/dbraw/zinc/18/05/21/996180521.db2.gz BLHNAXSMNFRDOW-QJPTWQEYSA-N -1 0 387.433 0.662 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)C[C@H]1C(=O)[O-] ZINC001598805475 996181918 /nfs/dbraw/zinc/18/19/18/996181918.db2.gz CSYITMXOMWKKNR-FSDSQADBSA-N -1 0 380.279 0.665 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805591 996183250 /nfs/dbraw/zinc/18/32/50/996183250.db2.gz FDNBOVJUJUTHFH-ARFHVFGLSA-N -1 0 388.420 0.552 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@@H]1C(=O)[O-] ZINC001598805923 996186045 /nfs/dbraw/zinc/18/60/45/996186045.db2.gz FVNBDJPSYLQLLV-GJZGRUSLSA-N -1 0 395.481 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC001598805946 996186778 /nfs/dbraw/zinc/18/67/78/996186778.db2.gz GBMXGYCRTYACOB-AEGPPILISA-N -1 0 395.456 0.683 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598806153 996189163 /nfs/dbraw/zinc/18/91/63/996189163.db2.gz BQZBTENNQYAGDE-RQJHMYQMSA-N -1 0 378.250 0.673 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@H]1C(=O)[O-] ZINC001598806223 996189421 /nfs/dbraw/zinc/18/94/21/996189421.db2.gz FUBGIDANWYNSLC-ZIAGYGMSSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Cn3ccnc3)c2)C[C@@H]1C(=O)[O-] ZINC001598806261 996189550 /nfs/dbraw/zinc/18/95/50/996189550.db2.gz COJVFAJLQIBIKI-JKSUJKDBSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C[C@H]1C(=O)[O-] ZINC001598806372 996190704 /nfs/dbraw/zinc/19/07/04/996190704.db2.gz HDIGAQHKTXGXAS-JTNHKYCSSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806683 996193737 /nfs/dbraw/zinc/19/37/37/996193737.db2.gz INMVLQHBNRTVQN-NEPJUHHUSA-N -1 0 385.413 0.457 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806643 996193776 /nfs/dbraw/zinc/19/37/76/996193776.db2.gz IEAZYIALVLAWOD-ARFHVFGLSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C[C@H]1C(=O)[O-] ZINC001598807185 996198351 /nfs/dbraw/zinc/19/83/51/996198351.db2.gz JMGCEBOYBLNRTH-JHJVBQTASA-N -1 0 375.381 0.089 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598807227 996198760 /nfs/dbraw/zinc/19/87/60/996198760.db2.gz HVRYZVGWTCURQX-GHMZBOCLSA-N -1 0 385.417 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC001598807323 996199200 /nfs/dbraw/zinc/19/92/00/996199200.db2.gz LXFORSBWMRPOIP-CHWSQXEVSA-N -1 0 381.406 0.325 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC001598807310 996199296 /nfs/dbraw/zinc/19/92/96/996199296.db2.gz LWNCFDXMZGLFJL-JIMOISOXSA-N -1 0 382.800 0.791 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])Cc2ccccc21 ZINC001598807384 996199705 /nfs/dbraw/zinc/19/97/05/996199705.db2.gz ITGVMNUOUSNRRV-CQSZACIVSA-N -1 0 377.397 0.449 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1C(=O)[O-] ZINC001598807834 996203928 /nfs/dbraw/zinc/20/39/28/996203928.db2.gz BVCCPHJCZJNHAB-RYUDHWBXSA-N -1 0 375.381 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC001598807959 996205196 /nfs/dbraw/zinc/20/51/96/996205196.db2.gz LXIUUOWDHAPWFB-MELADBBJSA-N -1 0 396.444 0.182 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCN2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808084 996205762 /nfs/dbraw/zinc/20/57/62/996205762.db2.gz KYCQJKOCHNNWRU-HUUCEWRRSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598808284 996207312 /nfs/dbraw/zinc/20/73/12/996207312.db2.gz DORYQTSCTDNZQS-STQMWFEESA-N -1 0 391.376 0.753 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)C[C@H]1C(=O)[O-] ZINC001598808369 996208007 /nfs/dbraw/zinc/20/80/07/996208007.db2.gz OVYYQQZYNCWKOM-RRFJBIMHSA-N -1 0 398.419 0.840 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C(=O)[O-] ZINC001598808404 996208900 /nfs/dbraw/zinc/20/89/00/996208900.db2.gz NMOQMTJAPJLJJL-QWHCGFSZSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(CNC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598808495 996209475 /nfs/dbraw/zinc/20/94/75/996209475.db2.gz MNWMOYUGXIRPDU-CABCVRRESA-N -1 0 377.397 0.338 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808779 996211810 /nfs/dbraw/zinc/21/18/10/996211810.db2.gz FZINHBUMJYSJLF-KBPBESRZSA-N -1 0 377.397 0.126 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1C(=O)[O-] ZINC001598809236 996216072 /nfs/dbraw/zinc/21/60/72/996216072.db2.gz PPEKRTAVIRIRQP-BDAKNGLRSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1C(=O)[O-] ZINC001598809238 996216103 /nfs/dbraw/zinc/21/61/03/996216103.db2.gz PPEKRTAVIRIRQP-DTWKUNHWSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598809271 996216118 /nfs/dbraw/zinc/21/61/18/996216118.db2.gz HIGXUHQOJZOSDT-IAGOWNOFSA-N -1 0 398.415 0.831 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C(F)(F)F)n(C)n2)C[C@@H]1C(=O)[O-] ZINC001598809744 996220129 /nfs/dbraw/zinc/22/01/29/996220129.db2.gz RBQIMXDUHYGMEH-IUCAKERBSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)C[C@H]1C(=O)[O-] ZINC001598810279 996225342 /nfs/dbraw/zinc/22/53/42/996225342.db2.gz SUSASZGKKUFPAY-VXGBXAGGSA-N -1 0 390.458 0.249 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598810321 996225618 /nfs/dbraw/zinc/22/56/18/996225618.db2.gz SXBONOLIAVRQIM-MGPQQGTHSA-N -1 0 375.381 0.307 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(N3CCCC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598811503 996235351 /nfs/dbraw/zinc/23/53/51/996235351.db2.gz XCLPWSXKAYKSLX-GJZGRUSLSA-N -1 0 389.408 0.829 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598811876 996238887 /nfs/dbraw/zinc/23/88/87/996238887.db2.gz ZZITVHNWIQEZPE-LOWVWBTDSA-N -1 0 382.438 0.835 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598812419 996243274 /nfs/dbraw/zinc/24/32/74/996243274.db2.gz ZFLFDKVPDUJKHF-KBPBESRZSA-N -1 0 377.397 0.404 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)C[C@H]1C(=O)[O-] ZINC001598812513 996244136 /nfs/dbraw/zinc/24/41/36/996244136.db2.gz QHNSRNLUBSXBRW-MNOVXSKESA-N -1 0 386.401 0.002 20 0 GCADRM C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719609 996244612 /nfs/dbraw/zinc/24/46/12/996244612.db2.gz PUEFYWPITLZYKB-MLGOLLRUSA-N -1 0 398.423 0.897 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598812661 996244841 /nfs/dbraw/zinc/24/48/41/996244841.db2.gz DAJULTOWJCLMQN-IEECTRCBSA-N -1 0 382.413 0.574 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598813204 996249222 /nfs/dbraw/zinc/24/92/22/996249222.db2.gz FPFCKMHXOVSPSU-QWHCGFSZSA-N -1 0 376.369 0.554 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccccc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598813322 996249729 /nfs/dbraw/zinc/24/97/29/996249729.db2.gz UOOAKVOCBRLRIT-CVEARBPZSA-N -1 0 390.436 0.788 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@@H]1C(=O)[O-] ZINC001598814138 996255152 /nfs/dbraw/zinc/25/51/52/996255152.db2.gz XMXIIHRKXJQYAM-KBPBESRZSA-N -1 0 394.449 0.999 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2C)C[C@@H]1C(=O)[O-] ZINC001598814263 996256614 /nfs/dbraw/zinc/25/66/14/996256614.db2.gz JZOLWOVRZFSWJQ-RYUDHWBXSA-N -1 0 390.396 0.862 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)C[C@@H]1C(=O)[O-] ZINC001598815186 996264138 /nfs/dbraw/zinc/26/41/38/996264138.db2.gz LNSAFIFKAHNHBL-YUMQZZPRSA-N -1 0 376.291 0.511 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C(=O)[O-] ZINC001598815323 996265643 /nfs/dbraw/zinc/26/56/43/996265643.db2.gz OYKHOEPYGUMZME-KBPBESRZSA-N -1 0 375.381 0.916 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C1 ZINC001598816034 996271156 /nfs/dbraw/zinc/27/11/56/996271156.db2.gz ADRGIBYZAXFROQ-GFCCVEGCSA-N -1 0 379.413 0.330 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@@H]1C(=O)[O-] ZINC001598816625 996277634 /nfs/dbraw/zinc/27/76/34/996277634.db2.gz SPPROFMPVWQLPS-UONOGXRCSA-N -1 0 387.396 0.858 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598817496 996286515 /nfs/dbraw/zinc/28/65/15/996286515.db2.gz USOYEQZDONEYQS-NWDGAFQWSA-N -1 0 399.425 0.704 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598817500 996286596 /nfs/dbraw/zinc/28/65/96/996286596.db2.gz USOYEQZDONEYQS-RYUDHWBXSA-N -1 0 399.425 0.704 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598817657 996287566 /nfs/dbraw/zinc/28/75/66/996287566.db2.gz WFFBWIRTNSWPOI-VXGBXAGGSA-N -1 0 393.396 0.735 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598817652 996287950 /nfs/dbraw/zinc/28/79/50/996287950.db2.gz WFFBWIRTNSWPOI-NWDGAFQWSA-N -1 0 393.396 0.735 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ncc(Br)s2)C[C@H]1C(=O)[O-] ZINC001598817995 996291596 /nfs/dbraw/zinc/29/15/96/996291596.db2.gz XDKPYTMLJNHVHH-RNFRBKRXSA-N -1 0 392.231 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001598818073 996292498 /nfs/dbraw/zinc/29/24/98/996292498.db2.gz JKQKULOHROSVSH-JTQLQIEISA-N -1 0 385.446 0.514 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598818973 996302875 /nfs/dbraw/zinc/30/28/75/996302875.db2.gz MVJPGNPIKBNFTO-WCFLWFBJSA-N -1 0 380.397 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598818921 996303180 /nfs/dbraw/zinc/30/31/80/996303180.db2.gz ZASTWOXXVKYPTM-ZDEQEGDKSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598819139 996304938 /nfs/dbraw/zinc/30/49/38/996304938.db2.gz ZRXOIAYEYJAZQO-NEPJUHHUSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598819141 996305191 /nfs/dbraw/zinc/30/51/91/996305191.db2.gz ZRXOIAYEYJAZQO-RYUDHWBXSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001598819782 996312688 /nfs/dbraw/zinc/31/26/88/996312688.db2.gz PZCDMQRGDQJHDE-JTQLQIEISA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H](C)c2nc(C)cc(N3CCO[C@H](C(=O)[O-])C3)n2)CCO1 ZINC001598819879 996313505 /nfs/dbraw/zinc/31/35/05/996313505.db2.gz QKKJCRDPSUEFDY-IHRRRGAJSA-N -1 0 394.428 0.010 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC001598820352 996319199 /nfs/dbraw/zinc/31/91/99/996319199.db2.gz WOSFKUPQEQYAGK-GHMZBOCLSA-N -1 0 389.813 0.689 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)[O-] ZINC001598820744 996324017 /nfs/dbraw/zinc/32/40/17/996324017.db2.gz HRCLACPERCDDIV-RYUDHWBXSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598820861 996324965 /nfs/dbraw/zinc/32/49/65/996324965.db2.gz IOGOZDHOYAGYAX-UONOGXRCSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC001598821256 996329628 /nfs/dbraw/zinc/32/96/28/996329628.db2.gz ZNKKWGRJFYKVBG-VXGBXAGGSA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598821716 996335423 /nfs/dbraw/zinc/33/54/23/996335423.db2.gz LTNOJJHMYGQGOK-CABCVRRESA-N -1 0 395.433 0.959 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1C(=O)[O-] ZINC001598822284 996341907 /nfs/dbraw/zinc/34/19/07/996341907.db2.gz PFBHDLFKPHTMGB-JGVFFNPUSA-N -1 0 397.185 0.438 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001598822740 996347680 /nfs/dbraw/zinc/34/76/80/996347680.db2.gz SRJALQVUIUPSJI-KGLIPLIRSA-N -1 0 398.437 0.319 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](Cc2ccccc2)OC)C[C@@H]1C(=O)[O-] ZINC001598822957 996350401 /nfs/dbraw/zinc/35/04/01/996350401.db2.gz ANYNHSJRDRBLIN-QLFBSQMISA-N -1 0 385.438 0.380 20 0 GCADRM COC(=O)[C@@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C(=O)[O-] ZINC001598823139 996351959 /nfs/dbraw/zinc/35/19/59/996351959.db2.gz VIJAVOMRXRTYKV-VXGBXAGGSA-N -1 0 389.408 0.556 20 0 GCADRM COC(=O)[C@@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H]1C(=O)[O-] ZINC001598823137 996352073 /nfs/dbraw/zinc/35/20/73/996352073.db2.gz VIJAVOMRXRTYKV-NWDGAFQWSA-N -1 0 389.408 0.556 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@@H]1C(=O)[O-] ZINC001598824027 996361815 /nfs/dbraw/zinc/36/18/15/996361815.db2.gz FTJIYUHCUSPHEA-QWHCGFSZSA-N -1 0 396.421 0.456 20 0 GCADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001598824723 996369926 /nfs/dbraw/zinc/36/99/26/996369926.db2.gz IUXDSOTUHRITTJ-AWEZNQCLSA-N -1 0 378.406 0.705 20 0 GCADRM COC(=O)[C@@H]1CSCCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001598825979 996382695 /nfs/dbraw/zinc/38/26/95/996382695.db2.gz QVWBLBMINDTONK-JTQLQIEISA-N -1 0 384.385 0.827 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CCO1 ZINC001598826142 996384785 /nfs/dbraw/zinc/38/47/85/996384785.db2.gz MOYQUXLFZHKZLF-NSHDSACASA-N -1 0 377.802 0.909 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598826600 996389218 /nfs/dbraw/zinc/38/92/18/996389218.db2.gz JKVSRTJFHNCYEU-YUMQZZPRSA-N -1 0 383.209 0.883 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598826947 996392818 /nfs/dbraw/zinc/39/28/18/996392818.db2.gz KYIQCPLLJIALNA-MNOVXSKESA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC001598827048 996394192 /nfs/dbraw/zinc/39/41/92/996394192.db2.gz PBFFRMSGRXBPRO-MNOVXSKESA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598827056 996394616 /nfs/dbraw/zinc/39/46/16/996394616.db2.gz PDXREZDRYXBJSJ-WDEREUQCSA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001598827161 996395027 /nfs/dbraw/zinc/39/50/27/996395027.db2.gz YPDBSVZSZNYXNR-SNVBAGLBSA-N -1 0 375.424 0.673 20 0 GCADRM C[C@@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001593753896 996396277 /nfs/dbraw/zinc/39/62/77/996396277.db2.gz KMTUBXMUMRYUEF-IBGZPJMESA-N -1 0 375.425 0.779 20 0 GCADRM C[C@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1(Br)Br ZINC001593754207 996397616 /nfs/dbraw/zinc/39/76/16/996397616.db2.gz RQOKBUPLTJNUOW-SECBINFHSA-N -1 0 396.039 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598827499 996398711 /nfs/dbraw/zinc/39/87/11/996398711.db2.gz RFNHSKUWMJOUHT-ZBWQRKBMSA-N -1 0 390.439 0.194 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc2O1 ZINC001598827674 996400846 /nfs/dbraw/zinc/40/08/46/996400846.db2.gz NXGTWVVAJLFGAR-ZDUSSCGKSA-N -1 0 381.366 0.097 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C[C@@H]1C(=O)[O-] ZINC001598828099 996406418 /nfs/dbraw/zinc/40/64/18/996406418.db2.gz VRACGOLBVXLIJR-WDEREUQCSA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598828829 996413777 /nfs/dbraw/zinc/41/37/77/996413777.db2.gz SNRONYUVYFQJEU-LSDHHAIUSA-N -1 0 382.438 0.781 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC001593761622 996422961 /nfs/dbraw/zinc/42/29/61/996422961.db2.gz BWYXXIQICJGYNT-HZMBPMFUSA-N -1 0 376.335 0.816 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598829731 996423100 /nfs/dbraw/zinc/42/31/00/996423100.db2.gz KOIRCKQJDIEZSS-MAZHCROVSA-N -1 0 376.409 0.287 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC001593761625 996423176 /nfs/dbraw/zinc/42/31/76/996423176.db2.gz BWYXXIQICJGYNT-YGRLFVJLSA-N -1 0 376.335 0.816 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCN3C)n2CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598829966 996425797 /nfs/dbraw/zinc/42/57/97/996425797.db2.gz WEZOPCMNMRWYLE-MJBXVCDLSA-N -1 0 377.445 0.765 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C(=O)[O-] ZINC001598830022 996426188 /nfs/dbraw/zinc/42/61/88/996426188.db2.gz WUNPKJUMFRKFGW-DTWKUNHWSA-N -1 0 394.352 0.220 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)C1 ZINC001593762405 996430497 /nfs/dbraw/zinc/43/04/97/996430497.db2.gz LILTULZLOFBXPI-IBGZPJMESA-N -1 0 375.425 0.754 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC001593764601 996438851 /nfs/dbraw/zinc/43/88/51/996438851.db2.gz JRMLZYOOCJYUAF-KDOFPFPSSA-N -1 0 376.388 0.959 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)C1 ZINC001593765461 996441168 /nfs/dbraw/zinc/44/11/68/996441168.db2.gz RPLINPGAQKARIA-AWEZNQCLSA-N -1 0 376.335 0.775 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C1 ZINC001593765326 996441196 /nfs/dbraw/zinc/44/11/96/996441196.db2.gz QPQDGLADCQJLPQ-UGSOOPFHSA-N -1 0 379.388 0.513 20 0 GCADRM COC(=O)C=Cc1ccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])o1 ZINC001598833540 996461179 /nfs/dbraw/zinc/46/11/79/996461179.db2.gz BPHJXLRLEJBAAY-OXRXFNFQSA-N -1 0 377.353 0.045 20 0 GCADRM COC(=O)C[C@H](NC(=O)Cc1ccc(I)cc1)C(=O)[O-] ZINC001598837492 996497806 /nfs/dbraw/zinc/49/78/06/996497806.db2.gz OWXSKIDEISMWGD-JTQLQIEISA-N -1 0 391.161 0.966 20 0 GCADRM COC(=O)C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(=O)[O-] ZINC001598836623 996490509 /nfs/dbraw/zinc/49/05/09/996490509.db2.gz DULNJSBILZBDOO-VIFPVBQESA-N -1 0 393.421 0.951 20 0 GCADRM COC(=O)C[C@@H](NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)C(=O)[O-] ZINC001598836665 996491137 /nfs/dbraw/zinc/49/11/37/996491137.db2.gz FNESHPFHCFAVTK-ZYOFXKKJSA-N -1 0 376.369 0.451 20 0 GCADRM COC(=O)C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC001598837131 996495169 /nfs/dbraw/zinc/49/51/69/996495169.db2.gz MNFXUTBQTNHHST-GFCCVEGCSA-N -1 0 379.365 0.943 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(=O)[O-] ZINC001598838718 996507126 /nfs/dbraw/zinc/50/71/26/996507126.db2.gz CQVMLNMBRKNYFU-APPZFPTMSA-N -1 0 378.428 0.240 20 0 GCADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(=O)[O-] ZINC001598838720 996507165 /nfs/dbraw/zinc/50/71/65/996507165.db2.gz CQVMLNMBRKNYFU-IONNQARKSA-N -1 0 378.428 0.240 20 0 GCADRM COC(=O)C[C@@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)OC ZINC001598839227 996511166 /nfs/dbraw/zinc/51/11/66/996511166.db2.gz IMCKBUVEUQMKIF-LLVKDONJSA-N -1 0 396.377 0.316 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)nc1F)C(=O)[O-] ZINC001598839249 996511395 /nfs/dbraw/zinc/51/13/95/996511395.db2.gz JHGCDSCZOIBLPF-YFKPBYRVSA-N -1 0 385.167 0.278 20 0 GCADRM COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598839947 996517017 /nfs/dbraw/zinc/51/70/17/996517017.db2.gz LYHKPXWMBVZWNY-ZETCQYMHSA-N -1 0 376.724 0.156 20 0 GCADRM COC(=O)CC1(CS(=O)(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1 ZINC001598842193 996534972 /nfs/dbraw/zinc/53/49/72/996534972.db2.gz CCHWLWRTEREWMT-BWBHSNQOSA-N -1 0 375.443 0.662 20 0 GCADRM 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ZINC001598952515 998180365 /nfs/dbraw/zinc/18/03/65/998180365.db2.gz XKJDYCXUGKQCGP-JTQLQIEISA-N -1 0 394.409 0.776 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)c(C(=O)[O-])s1 ZINC001598952604 998182010 /nfs/dbraw/zinc/18/20/10/998182010.db2.gz ZSDYZWHANXAMFP-ZETCQYMHSA-N -1 0 376.412 0.119 20 0 GCADRM COCCO[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCc1n[nH]c(C)n1 ZINC001599248252 998182888 /nfs/dbraw/zinc/18/28/88/998182888.db2.gz NKTWHWNWTNGFOA-DGCLKSJQSA-N -1 0 393.448 0.582 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)n(C)c1 ZINC001598952675 998182978 /nfs/dbraw/zinc/18/29/78/998182978.db2.gz MUVNVYZTIVLXPV-IXOXFDKPSA-N -1 0 386.426 0.595 20 0 GCADRM COc1cc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@@H](C)[C@@H](O)C2)c(OC)c1OC ZINC001599356281 998184511 /nfs/dbraw/zinc/18/45/11/998184511.db2.gz FDBWUPUKGQOQCI-SCZZXKLOSA-N -1 0 382.369 0.188 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)ccc1C(=O)[O-] ZINC001598952734 998184731 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/nfs/dbraw/zinc/22/95/01/530229501.db2.gz BRMYWVYWWHLRAO-QFIPXVFZSA-N -1 0 381.545 0.735 20 0 GCADRM COc1cccc(S([O-])=CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c1 ZINC000268669241 530231312 /nfs/dbraw/zinc/23/13/12/530231312.db2.gz UJBXXHPCCFJCQP-DEOSSOPVSA-N -1 0 390.527 0.979 20 0 GCADRM C[C@@H](C(=O)NCc1nnn[n-]1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000600500995 530233098 /nfs/dbraw/zinc/23/30/98/530233098.db2.gz JBIJTVGQWFPBNK-LURJTMIESA-N -1 0 379.174 0.263 20 0 GCADRM CC[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(=O)[O-] ZINC000564658685 530251681 /nfs/dbraw/zinc/25/16/81/530251681.db2.gz KBJSZSVEGGUAMH-SECBINFHSA-N -1 0 382.485 0.540 20 0 GCADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1C ZINC000518526354 530233481 /nfs/dbraw/zinc/23/34/81/530233481.db2.gz YEKUZDUFOMJQKH-LBPRGKRZSA-N -1 0 390.483 0.561 20 0 GCADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H](CO)[C@H]1CCOC1 ZINC000569415973 530233850 /nfs/dbraw/zinc/23/38/50/530233850.db2.gz FYZRYHCBJBLMSD-WDEREUQCSA-N -1 0 378.397 0.004 20 0 GCADRM C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CCS1(=O)=O ZINC000569399022 530233969 /nfs/dbraw/zinc/23/39/69/530233969.db2.gz ABJZXIIHMXQOMT-SNVBAGLBSA-N -1 0 396.437 0.279 20 0 GCADRM CON(C)S(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000268987891 530234417 /nfs/dbraw/zinc/23/44/17/530234417.db2.gz QMNMANUATVLZBZ-LBPRGKRZSA-N -1 0 388.467 0.901 20 0 GCADRM NS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)sc1Br ZINC000268977071 530234437 /nfs/dbraw/zinc/23/44/37/530234437.db2.gz KDISIKVGQAWTRW-ZETCQYMHSA-N -1 0 383.245 0.751 20 0 GCADRM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)cc(Cl)c1[O-] ZINC000269086953 530235205 /nfs/dbraw/zinc/23/52/05/530235205.db2.gz BAVCHJNZSVZISE-OLZOCXBDSA-N -1 0 392.836 0.412 20 0 GCADRM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000569453586 530235224 /nfs/dbraw/zinc/23/52/24/530235224.db2.gz ZSMLDEABPVJCIP-SECBINFHSA-N -1 0 396.874 0.741 20 0 GCADRM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000269092135 530235309 /nfs/dbraw/zinc/23/53/09/530235309.db2.gz VUKGUESDRLHUTB-VIFPVBQESA-N -1 0 378.834 0.810 20 0 GCADRM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269136431 530235552 /nfs/dbraw/zinc/23/55/52/530235552.db2.gz DKZYDSKTUCYDGC-SNVBAGLBSA-N -1 0 390.845 0.811 20 0 GCADRM O=C([O-])CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000269148345 530235769 /nfs/dbraw/zinc/23/57/69/530235769.db2.gz QUOVZRJZOJBYAZ-JTQLQIEISA-N -1 0 376.818 0.612 20 0 GCADRM COC(=O)c1cncc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)c1 ZINC000559433562 530251805 /nfs/dbraw/zinc/25/18/05/530251805.db2.gz DQYWFTFGPWLLHL-UHFFFAOYSA-N -1 0 389.386 0.456 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)N2CCc3sccc3[C@H]2C(=O)[O-])CC1 ZINC000278668929 530236058 /nfs/dbraw/zinc/23/60/58/530236058.db2.gz LAPWMFMQXBVEMQ-ZDUSSCGKSA-N -1 0 388.467 0.862 20 0 GCADRM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O ZINC000569491234 530236822 /nfs/dbraw/zinc/23/68/22/530236822.db2.gz QMUXOENFGQEWSN-UHFFFAOYSA-N -1 0 384.501 0.571 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000269328807 530238391 /nfs/dbraw/zinc/23/83/91/530238391.db2.gz BBYOVBLFCWKTAW-QMMMGPOBSA-N -1 0 376.378 0.186 20 0 GCADRM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000269333616 530238479 /nfs/dbraw/zinc/23/84/79/530238479.db2.gz ITBLFQDGFRHXBW-SECBINFHSA-N -1 0 382.435 0.627 20 0 GCADRM Cc1conc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000269353138 530239151 /nfs/dbraw/zinc/23/91/51/530239151.db2.gz GTQNBTMBBQYDLB-UHFFFAOYSA-N -1 0 387.439 0.805 20 0 GCADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1F ZINC000269348991 530239161 /nfs/dbraw/zinc/23/91/61/530239161.db2.gz MIYWOMQEOIKKEI-UHFFFAOYSA-N -1 0 394.446 0.725 20 0 GCADRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c1 ZINC000427124475 530240575 /nfs/dbraw/zinc/24/05/75/530240575.db2.gz SADKHQCPRZPPKJ-UHFFFAOYSA-N -1 0 386.817 0.999 20 0 GCADRM COC(=O)c1ccc(F)cc1S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C(=O)[O-] ZINC000600659316 530240827 /nfs/dbraw/zinc/24/08/27/530240827.db2.gz OEGGXPOOXRCZKX-ZUZCIYMTSA-N -1 0 375.374 0.865 20 0 GCADRM COC(=O)c1cc(F)cc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])c1F ZINC000600652888 530241286 /nfs/dbraw/zinc/24/12/86/530241286.db2.gz BOJGZAHQTSSHRX-CQSZACIVSA-N -1 0 381.353 0.503 20 0 GCADRM O=C([O-])CN(C(=O)CCNS(=O)(=O)c1cccs1)C1CCOCC1 ZINC000573609217 530243506 /nfs/dbraw/zinc/24/35/06/530243506.db2.gz YGHZTOSLHARESU-UHFFFAOYSA-N -1 0 376.456 0.509 20 0 GCADRM Cc1c(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC3CC3)ccc2O)cnn1C ZINC000427262142 530243940 /nfs/dbraw/zinc/24/39/40/530243940.db2.gz FCXOGXVEOFDRLQ-UHFFFAOYSA-N -1 0 386.455 0.676 20 0 GCADRM Cc1c(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2O)cnn1C ZINC000427274203 530244301 /nfs/dbraw/zinc/24/43/01/530244301.db2.gz IJWFSJULALDGOV-UHFFFAOYSA-N -1 0 386.455 0.775 20 0 GCADRM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1cnn([C@@H]2CCOC2)c1 ZINC000269671317 530244788 /nfs/dbraw/zinc/24/47/88/530244788.db2.gz BFYGTIRMCIEVJY-CYBMUJFWSA-N -1 0 383.451 0.975 20 0 GCADRM CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000647232959 530246765 /nfs/dbraw/zinc/24/67/65/530246765.db2.gz KQDGGTMDWIGBIK-DOMZBBRYSA-N -1 0 376.406 0.080 20 0 GCADRM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(S(=O)(=O)NC)cs2)s1 ZINC000269798044 530250177 /nfs/dbraw/zinc/25/01/77/530250177.db2.gz MZDRXTKGBNVOHI-UHFFFAOYSA-N -1 0 390.468 0.866 20 0 GCADRM O=C([O-])[C@@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccccc1Br ZINC000558474040 530209943 /nfs/dbraw/zinc/20/99/43/530209943.db2.gz GJRKMSOGSSCZMW-YBTHPKLGSA-N -1 0 396.284 0.796 20 0 GCADRM CO[C@@H](C)c1nc(=NC(=O)NCCNS(=O)(=O)c2cccnc2)s[n-]1 ZINC000558459683 530210199 /nfs/dbraw/zinc/21/01/99/530210199.db2.gz NKNHDEYEHMGALM-VIFPVBQESA-N -1 0 386.459 0.162 20 0 GCADRM Cn1nncc1S(=O)(=O)N1[C@@H](CCc2ccccc2)SC[C@H]1C(=O)[O-] ZINC000650416809 530211975 /nfs/dbraw/zinc/21/19/75/530211975.db2.gz AUYGWGWIMWIKHR-QWHCGFSZSA-N -1 0 382.467 0.965 20 0 GCADRM O=C([O-])C1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CCC1 ZINC000558588924 530212072 /nfs/dbraw/zinc/21/20/72/530212072.db2.gz PZXRTMFKQDGFEK-UHFFFAOYSA-N -1 0 388.467 0.757 20 0 GCADRM O=C([O-])C1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000558590542 530212206 /nfs/dbraw/zinc/21/22/06/530212206.db2.gz OYSSTZLBEGGYHA-UHFFFAOYSA-N -1 0 388.467 0.757 20 0 GCADRM Cn1nncc1S(=O)(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC000650420765 530212585 /nfs/dbraw/zinc/21/25/85/530212585.db2.gz PXDRZNCQYUSLMR-JTQLQIEISA-N -1 0 389.231 0.552 20 0 GCADRM COc1ccc(F)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000650417725 530212649 /nfs/dbraw/zinc/21/26/49/530212649.db2.gz XPQSCXNHNIEHIQ-JTQLQIEISA-N -1 0 381.403 0.097 20 0 GCADRM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](OC)C(=O)[O-])c1 ZINC000558692605 530213476 /nfs/dbraw/zinc/21/34/76/530213476.db2.gz PUHTUAAKXUQQMU-ZDUSSCGKSA-N -1 0 394.471 0.095 20 0 GCADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CC(=O)CC)C(=O)[O-] ZINC000558736745 530213971 /nfs/dbraw/zinc/21/39/71/530213971.db2.gz WJPJLTNYISRPOL-LLVKDONJSA-N -1 0 392.455 0.086 20 0 GCADRM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000650430527 530214000 /nfs/dbraw/zinc/21/40/00/530214000.db2.gz QAYFWCJYIXEOSZ-LLVKDONJSA-N -1 0 391.467 0.878 20 0 GCADRM CSC1(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCOCC1 ZINC000267593729 530214338 /nfs/dbraw/zinc/21/43/38/530214338.db2.gz BIEQGUCJCSIYOP-UHFFFAOYSA-N -1 0 386.455 0.627 20 0 GCADRM COC1(C[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C(=O)[O-])CCC1 ZINC000650431978 530214884 /nfs/dbraw/zinc/21/48/84/530214884.db2.gz IVQWBDRNTCMJNX-GFCCVEGCSA-N -1 0 392.455 0.025 20 0 GCADRM O=C([O-])C1(CNS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)CCOCC1 ZINC000558871218 530217360 /nfs/dbraw/zinc/21/73/60/530217360.db2.gz XSDTUZDJARPLKL-UHFFFAOYSA-N -1 0 390.801 0.934 20 0 GCADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N[C@@H]1CO[C@H](C)C1 ZINC000564906667 530219804 /nfs/dbraw/zinc/21/98/04/530219804.db2.gz NPNWWGUCCDIPDN-MNOVXSKESA-N -1 0 378.472 0.913 20 0 GCADRM CCN(C(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1)[C@H](C)CS(=O)(=O)CC ZINC000566089644 530220058 /nfs/dbraw/zinc/22/00/58/530220058.db2.gz BZQOQTVSXNWACQ-CHWSQXEVSA-N -1 0 376.475 0.371 20 0 GCADRM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cn1 ZINC000625770462 530220166 /nfs/dbraw/zinc/22/01/66/530220166.db2.gz KBZNJLIDKCMZRU-RYUDHWBXSA-N -1 0 375.472 0.539 20 0 GCADRM CS(=O)(=O)Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000650448482 530220476 /nfs/dbraw/zinc/22/04/76/530220476.db2.gz ABZXFGBEEZJKQN-LSDHHAIUSA-N -1 0 387.479 0.963 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)C[C@H](C(=O)[O-])O1 ZINC000650446061 530220586 /nfs/dbraw/zinc/22/05/86/530220586.db2.gz HSYAZANSERLVEK-ZWNOBZJWSA-N -1 0 377.440 0.094 20 0 GCADRM CN(C)CCN(C(=O)CSc1n[n-]c(=S)s1)[C@H]1CCS(=O)(=O)C1 ZINC000268136030 530222133 /nfs/dbraw/zinc/22/21/33/530222133.db2.gz CLONIIPHPWKELK-VIFPVBQESA-N -1 0 396.585 0.496 20 0 GCADRM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000271327863 530271083 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398.890 0.194 20 0 GCADRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccccc2Br)C1 ZINC000275036915 530304972 /nfs/dbraw/zinc/30/49/72/530304972.db2.gz UYEKKFXBAAHUOG-VIFPVBQESA-N -1 0 391.243 0.661 20 0 GCADRM Cn1cnc(S(=O)(=O)N[C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000275037386 530304987 /nfs/dbraw/zinc/30/49/87/530304987.db2.gz QRSZIKZUTJRFRW-ZDUSSCGKSA-N -1 0 385.467 0.964 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2c(Cl)ccnc2Cl)C1 ZINC000275056049 530305181 /nfs/dbraw/zinc/30/51/81/530305181.db2.gz YBCUUXSJFBPPNA-SSDOTTSWSA-N -1 0 382.225 0.600 20 0 GCADRM Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C(=O)[O-] ZINC000275053950 530305245 /nfs/dbraw/zinc/30/52/45/530305245.db2.gz IFGOKIOZXXGWJT-QMMMGPOBSA-N -1 0 383.348 0.412 20 0 GCADRM COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-] ZINC000275047139 530305404 /nfs/dbraw/zinc/30/54/04/530305404.db2.gz HPHJAPWPVZBQAP-NSHDSACASA-N -1 0 381.834 0.869 20 0 GCADRM CC(C)[C@H](CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000275056755 530305407 /nfs/dbraw/zinc/30/54/07/530305407.db2.gz TZHPZNPLNJVMLT-ZDUSSCGKSA-N -1 0 378.472 0.572 20 0 GCADRM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000275048669 530305410 /nfs/dbraw/zinc/30/54/10/530305410.db2.gz SDMPCPMWYVIJJL-ZDUSSCGKSA-N -1 0 378.472 0.384 20 0 GCADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000275066553 530305485 /nfs/dbraw/zinc/30/54/85/530305485.db2.gz GFUAMDVOFGBGMK-VIFPVBQESA-N -1 0 383.419 0.339 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N(Cc1ccncc1)S(=O)(=O)CCS(C)(=O)=O ZINC000275071587 530305718 /nfs/dbraw/zinc/30/57/18/530305718.db2.gz BMXMOSJZFGKCOU-ZDUSSCGKSA-N -1 0 378.472 0.367 20 0 GCADRM C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)CC(=O)[O-] ZINC000275082339 530305898 /nfs/dbraw/zinc/30/58/98/530305898.db2.gz YWPISWZLBCIUKF-JTQLQIEISA-N -1 0 376.456 0.516 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)C2)C1 ZINC000275084445 530305929 /nfs/dbraw/zinc/30/59/29/530305929.db2.gz JDZFHUBTSWXROC-VXGBXAGGSA-N -1 0 387.845 0.572 20 0 GCADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc2ncsc2c1 ZINC000275080030 530305994 /nfs/dbraw/zinc/30/59/94/530305994.db2.gz ILMQJDHAMORFFS-VIFPVBQESA-N -1 0 390.464 0.559 20 0 GCADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])CCC[C@@H]2C)cc1 ZINC000275094542 530306204 /nfs/dbraw/zinc/30/62/04/530306204.db2.gz KSNHIBCXNYFQHV-GXFFZTMASA-N -1 0 376.456 0.611 20 0 GCADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000275095578 530306212 /nfs/dbraw/zinc/30/62/12/530306212.db2.gz KUZDTYBGHHAAHN-VIFPVBQESA-N -1 0 399.874 0.854 20 0 GCADRM CS(=O)(=O)CCS(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC000275096212 530306346 /nfs/dbraw/zinc/30/63/46/530306346.db2.gz IAQUFKLPOJKGIQ-NEPJUHHUSA-N -1 0 379.481 0.562 20 0 GCADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000275100404 530306348 /nfs/dbraw/zinc/30/63/48/530306348.db2.gz LMDLSHVALMTHGZ-VIFPVBQESA-N -1 0 388.833 0.588 20 0 GCADRM CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1F ZINC000275100252 530306352 /nfs/dbraw/zinc/30/63/52/530306352.db2.gz IPHHFSGXMMBUEK-UHFFFAOYSA-N -1 0 380.419 0.681 20 0 GCADRM COCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1 ZINC000275111682 530306500 /nfs/dbraw/zinc/30/65/00/530306500.db2.gz MZKSSTQVZXBZJV-ZDUSSCGKSA-N -1 0 391.467 0.138 20 0 GCADRM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277286733 530330673 /nfs/dbraw/zinc/33/06/73/530330673.db2.gz QLUKVLBEIOZABM-LLVKDONJSA-N -1 0 378.472 0.859 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000275110493 530306682 /nfs/dbraw/zinc/30/66/82/530306682.db2.gz MVKXDNOLPBRMLB-GXTWGEPZSA-N -1 0 390.483 0.480 20 0 GCADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000275114744 530306696 /nfs/dbraw/zinc/30/66/96/530306696.db2.gz SMCWTQXHXDPNJL-LDWIPMOCSA-N -1 0 380.216 0.496 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c(C)c1 ZINC000275117650 530306727 /nfs/dbraw/zinc/30/67/27/530306727.db2.gz NRXVWLIRVGAGAR-NSHDSACASA-N -1 0 377.440 0.266 20 0 GCADRM O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000275112320 530306728 /nfs/dbraw/zinc/30/67/28/530306728.db2.gz KQSYBPFFEKVNPQ-SNVBAGLBSA-N -1 0 385.808 0.904 20 0 GCADRM CC(C)Oc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC000275120379 530306736 /nfs/dbraw/zinc/30/67/36/530306736.db2.gz NZFQZVRPWNYCMO-CYBMUJFWSA-N -1 0 377.440 0.346 20 0 GCADRM COc1cc(Cl)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1Cl ZINC000275147537 530307194 /nfs/dbraw/zinc/30/71/94/530307194.db2.gz XZTXTBZIMBPZAZ-MRVPVSSYSA-N -1 0 385.225 0.999 20 0 GCADRM CCN([C@@H](C(=O)[O-])c1ccc(F)c(F)c1)S(=O)(=O)CCS(C)(=O)=O ZINC000275142570 530307251 /nfs/dbraw/zinc/30/72/51/530307251.db2.gz PYBRLPXAUGJSDG-GFCCVEGCSA-N -1 0 385.410 0.787 20 0 GCADRM C[C@@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000275150675 530307327 /nfs/dbraw/zinc/30/73/27/530307327.db2.gz ROCMCCXNGZDHOT-OCCSQVGLSA-N -1 0 390.483 0.622 20 0 GCADRM COC(=O)CC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000275159905 530307653 /nfs/dbraw/zinc/30/76/53/530307653.db2.gz AICQMQRIFYQNDI-MRVPVSSYSA-N -1 0 375.790 0.672 20 0 GCADRM COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000275185601 530307902 /nfs/dbraw/zinc/30/79/02/530307902.db2.gz XDYRZFWIYKMTAP-LLVKDONJSA-N -1 0 394.471 0.047 20 0 GCADRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000275179320 530307946 /nfs/dbraw/zinc/30/79/46/530307946.db2.gz WITFOGOXRLUJSJ-GXFFZTMASA-N -1 0 378.472 0.715 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N(Cc1ccccn1)S(=O)(=O)CCS(C)(=O)=O ZINC000275171481 530307989 /nfs/dbraw/zinc/30/79/89/530307989.db2.gz WMZQGBLMQFXMSK-CYBMUJFWSA-N -1 0 378.472 0.367 20 0 GCADRM O=C(NOCCC(F)(F)F)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2 ZINC000275198568 530308172 /nfs/dbraw/zinc/30/81/72/530308172.db2.gz GFZMFHXQRAQFIU-UHFFFAOYSA-N -1 0 377.304 0.995 20 0 GCADRM CS(=O)(=O)CCS(=O)(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000275189621 530308186 /nfs/dbraw/zinc/30/81/86/530308186.db2.gz ZGELAARBVRYKLD-SNVBAGLBSA-N -1 0 379.481 0.816 20 0 GCADRM COC(=O)c1cc(Br)c(S(=O)(=O)[N-]CCNC(C)=O)s1 ZINC000275198103 530308188 /nfs/dbraw/zinc/30/81/88/530308188.db2.gz NJWGNKLOBVOCOA-UHFFFAOYSA-N -1 0 385.261 0.712 20 0 GCADRM COc1cc(Br)c(S(=O)(=O)NC[C@H](O)C(=O)[O-])cc1Cl ZINC000275191515 530308252 /nfs/dbraw/zinc/30/82/52/530308252.db2.gz FPGQJFYYMIQVBQ-ZETCQYMHSA-N -1 0 388.623 0.835 20 0 GCADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000275186822 530308302 /nfs/dbraw/zinc/30/83/02/530308302.db2.gz XHJMRDRPMFXALH-IYNGYCSASA-N -1 0 377.415 0.700 20 0 GCADRM Cc1ccc(Cl)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC000275193772 530308311 /nfs/dbraw/zinc/30/83/11/530308311.db2.gz YDYAVZCFTMJMAB-SNVBAGLBSA-N -1 0 381.859 0.911 20 0 GCADRM CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000275195033 530308319 /nfs/dbraw/zinc/30/83/19/530308319.db2.gz FZYJVHDQWZRDDC-SECBINFHSA-N -1 0 375.346 0.774 20 0 GCADRM COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)C(=O)[O-] ZINC000275214915 530308760 /nfs/dbraw/zinc/30/87/60/530308760.db2.gz HZPWOCORKRKJMS-GFCCVEGCSA-N -1 0 392.817 0.983 20 0 GCADRM COc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1Br ZINC000275208137 530308772 /nfs/dbraw/zinc/30/87/72/530308772.db2.gz BXEDSBBTDOUZER-GMSGAONNSA-N -1 0 380.216 0.666 20 0 GCADRM COc1cc(Br)c(F)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000275215258 530308778 /nfs/dbraw/zinc/30/87/78/530308778.db2.gz CTHNMIMXRCMFEG-HZGVNTEJSA-N -1 0 398.206 0.805 20 0 GCADRM O=C([O-])CN(CCO)S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000275233973 530309017 /nfs/dbraw/zinc/30/90/17/530309017.db2.gz FUWZATPNPXLBOE-UHFFFAOYSA-N -1 0 396.215 0.288 20 0 GCADRM Cn1c2ccc(S(=O)(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc2n(C)c1=O ZINC000275223110 530309025 /nfs/dbraw/zinc/30/90/25/530309025.db2.gz ISRULGSFOQVFHL-MRVPVSSYSA-N -1 0 381.332 0.561 20 0 GCADRM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(F)c(Br)cc1F 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C[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2noc(CCC(=O)[O-])n2)[C@H]1C ZINC000736777864 600373750 /nfs/dbraw/zinc/37/37/50/600373750.db2.gz ZEUWEAITZXPGBD-WOPDTQHZSA-N -1 0 387.458 0.943 20 0 GCADRM CNS(=O)(=O)C1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000737552091 600374965 /nfs/dbraw/zinc/37/49/65/600374965.db2.gz FZCIXERIHZWIKM-INIZCTEOSA-N -1 0 395.481 0.038 20 0 GCADRM COCCN1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@@H]1C ZINC000737808673 600375796 /nfs/dbraw/zinc/37/57/96/600375796.db2.gz DJGVOXAXIXZVSQ-ZDUSSCGKSA-N -1 0 378.429 0.918 20 0 GCADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000738332068 600377621 /nfs/dbraw/zinc/37/76/21/600377621.db2.gz MSEMXLSWLZBDLM-GFCCVEGCSA-N -1 0 388.405 0.558 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000737770263 600381932 /nfs/dbraw/zinc/38/19/32/600381932.db2.gz WRNOVLJULOGEFQ-SFHVURJKSA-N -1 0 393.396 0.022 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 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ZINC000655977346 1184913433 /nfs/dbraw/zinc/91/34/33/1184913433.db2.gz FEZDETALHQECIB-ZDUSSCGKSA-N -1 0 379.413 0.473 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000655978691 1184914101 /nfs/dbraw/zinc/91/41/01/1184914101.db2.gz UNEWCUKVLJSFHK-CYBMUJFWSA-N -1 0 399.469 0.026 20 0 GCADRM Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655978653 1184914225 /nfs/dbraw/zinc/91/42/25/1184914225.db2.gz UMBCFLCKWQCFBI-ZBFHGGJFSA-N -1 0 377.441 0.321 20 0 GCADRM Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655978651 1184914326 /nfs/dbraw/zinc/91/43/26/1184914326.db2.gz UMBCFLCKWQCFBI-HOCLYGCPSA-N -1 0 377.441 0.321 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1)C(=O)[O-] ZINC000655978233 1184915269 /nfs/dbraw/zinc/91/52/69/1184915269.db2.gz PITLDIZTDOFZIO-IAGOWNOFSA-N -1 0 391.468 0.649 20 0 GCADRM C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)C(=O)[O-] ZINC000655979902 1184915282 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381.404 0.074 20 0 GCADRM C[C@H](CNC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000655982952 1184919599 /nfs/dbraw/zinc/91/95/99/1184919599.db2.gz BRDJHRZOBIQZHH-IUODEOHRSA-N -1 0 391.424 0.049 20 0 GCADRM C[C@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)[O-] ZINC000655984785 1184920365 /nfs/dbraw/zinc/92/03/65/1184920365.db2.gz SJULLFPZQMCNEQ-IUODEOHRSA-N -1 0 397.859 0.666 20 0 GCADRM COc1ccc(-c2nnc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)[nH]2)cc1 ZINC000655984498 1184920871 /nfs/dbraw/zinc/92/08/71/1184920871.db2.gz OXMQYYCQBGPCHH-ZDUSSCGKSA-N -1 0 389.412 0.570 20 0 GCADRM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655987699 1184921327 /nfs/dbraw/zinc/92/13/27/1184921327.db2.gz MVMKDTLUELWGTH-UKRRQHHQSA-N -1 0 398.481 0.746 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)C(=O)[O-] ZINC000655985323 1184921657 /nfs/dbraw/zinc/92/16/57/1184921657.db2.gz XEAVQBMDAUPOBL-LLVKDONJSA-N -1 0 395.378 0.519 20 0 GCADRM 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382.446 0.084 20 0 GCADRM O=C([O-])[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000582461235 1186539831 /nfs/dbraw/zinc/53/98/31/1186539831.db2.gz NSNQEXZAQKTHTA-LRDDRELGSA-N -1 0 382.438 0.660 20 0 GCADRM Cc1[nH]nc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4cncn4C)[C@@H]3C2)c1[O-] ZINC001022748205 1186543816 /nfs/dbraw/zinc/54/38/16/1186543816.db2.gz NXSCDCLLRBDRML-KYEXWDHISA-N -1 0 384.440 0.634 20 0 GCADRM C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1c1nccn2cnnc12 ZINC000277634968 1186546312 /nfs/dbraw/zinc/54/63/12/1186546312.db2.gz LGUJFSAUDGIJIS-SNVBAGLBSA-N -1 0 399.377 0.619 20 0 GCADRM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001022753630 1186550103 /nfs/dbraw/zinc/55/01/03/1186550103.db2.gz YSEKTDNICKWNOL-DSJMHWKBSA-N -1 0 388.468 0.841 20 0 GCADRM C[C@]1(C(=O)NCCC(=O)[N-]S(C)(=O)=O)CCCN(C(=O)c2ccccc2)C1 ZINC000277652540 1186551849 /nfs/dbraw/zinc/55/18/49/1186551849.db2.gz OJEWLEFVCANQRH-SFHVURJKSA-N -1 0 395.481 0.511 20 0 GCADRM 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/nfs/dbraw/zinc/68/58/63/1194685863.db2.gz GRGFOIPRHDELPM-LBPRGKRZSA-N -1 0 399.425 0.471 20 0 GCADRM COc1cc(F)c(F)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422671354 1194686273 /nfs/dbraw/zinc/68/62/73/1194686273.db2.gz NEVHOYVUFRQEFX-MRVPVSSYSA-N -1 0 387.339 0.350 20 0 GCADRM COC(=O)c1c(C)csc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422672662 1194686393 /nfs/dbraw/zinc/68/63/93/1194686393.db2.gz QZDZVRUIVCAFTJ-VIFPVBQESA-N -1 0 399.425 0.219 20 0 GCADRM CCc1nc2cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc2o1 ZINC000422674193 1194686688 /nfs/dbraw/zinc/68/66/88/1194686688.db2.gz VVPCPCNAVXGITM-JTQLQIEISA-N -1 0 390.396 0.767 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N2CCCC2)c1)[C@H](C)C(=O)[O-] ZINC000422673193 1194686781 /nfs/dbraw/zinc/68/67/81/1194686781.db2.gz SNTQEIZSHIMIQB-CYBMUJFWSA-N -1 0 390.440 0.663 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(CCC(C)C)c1C)[C@@H](C)C(=O)[O-] ZINC000422673572 1194686800 /nfs/dbraw/zinc/68/68/00/1194686800.db2.gz UDXJQACVBMGMSV-ZDUSSCGKSA-N -1 0 395.460 0.614 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000422675942 1194687052 /nfs/dbraw/zinc/68/70/52/1194687052.db2.gz ZLYNHXJIIMRJAG-VIFPVBQESA-N -1 0 387.339 0.664 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(C)cc2cccnc21)[C@@H](C)C(=O)[O-] ZINC000422675219 1194687068 /nfs/dbraw/zinc/68/70/68/1194687068.db2.gz YDYOVCWFUMGOLV-LBPRGKRZSA-N -1 0 386.408 0.920 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OC(F)F)[C@@H](C)C(=O)[O-] ZINC000422675193 1194687096 /nfs/dbraw/zinc/68/70/96/1194687096.db2.gz YAZYQZGTUWDIPQ-VIFPVBQESA-N -1 0 387.339 0.664 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000422675177 1194687106 /nfs/dbraw/zinc/68/71/06/1194687106.db2.gz XZJNLXPIYSSHBT-ZDUSSCGKSA-N -1 0 386.426 0.797 20 0 GCADRM CCCOc1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000422675679 1194687204 /nfs/dbraw/zinc/68/72/04/1194687204.db2.gz ZBDQPYZGYDQFPP-GFCCVEGCSA-N -1 0 379.413 0.852 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)cc1F)[C@H](C)C(=O)[O-] ZINC000422674398 1194687226 /nfs/dbraw/zinc/68/72/26/1194687226.db2.gz WJCAFVXUDLSULJ-LLVKDONJSA-N -1 0 397.403 0.989 20 0 GCADRM CCCC[C@@H](NC(=O)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000422675176 1194687248 /nfs/dbraw/zinc/68/72/48/1194687248.db2.gz XZJNLXPIYSSHBT-CYBMUJFWSA-N -1 0 386.426 0.797 20 0 GCADRM COCCn1nc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1C ZINC000422676873 1194687461 /nfs/dbraw/zinc/68/74/61/1194687461.db2.gz AKGDFKJCPXMHEW-SCLBCKFNSA-N -1 0 378.429 0.798 20 0 GCADRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000422676675 1194687515 /nfs/dbraw/zinc/68/75/15/1194687515.db2.gz DXPWZZDFWYGKRX-AWEZNQCLSA-N -1 0 377.319 0.662 20 0 GCADRM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1F ZINC000422676669 1194687551 /nfs/dbraw/zinc/68/75/51/1194687551.db2.gz DWZBHPLWKCKKSE-OCCSQVGLSA-N -1 0 379.388 0.899 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000422676272 1194687561 /nfs/dbraw/zinc/68/75/61/1194687561.db2.gz CWTLSQOTVDSYLS-TZMCWYRMSA-N -1 0 395.387 0.599 20 0 GCADRM Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000422677088 1194687610 /nfs/dbraw/zinc/68/76/10/1194687610.db2.gz GZSJPMGJPQAWQW-LBPRGKRZSA-N -1 0 382.438 0.969 20 0 GCADRM COc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422676432 1194687622 /nfs/dbraw/zinc/68/76/22/1194687622.db2.gz DFDIBRDJEGSJDU-JSGCOSHPSA-N -1 0 395.387 0.599 20 0 GCADRM COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422677912 1194688028 /nfs/dbraw/zinc/68/80/28/1194688028.db2.gz LKXRSXFCTWHBON-FZMZJTMJSA-N -1 0 395.387 0.599 20 0 GCADRM COc1c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cccc1C(N)=O ZINC000422677957 1194688043 /nfs/dbraw/zinc/68/80/43/1194688043.db2.gz PODILCVCSOQBCM-XTZNXHDOSA-N -1 0 375.381 0.446 20 0 GCADRM 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CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc(C3CC3)n2)C1=O ZINC000422678655 1194688285 /nfs/dbraw/zinc/68/82/85/1194688285.db2.gz ORZGONZFMBXRRS-ZFWWWQNUSA-N -1 0 388.424 0.724 20 0 GCADRM Cc1cccc(F)c1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422678590 1194688310 /nfs/dbraw/zinc/68/83/10/1194688310.db2.gz OODDYBFCDWXOLO-JSGCOSHPSA-N -1 0 379.388 0.899 20 0 GCADRM CCOC(=O)c1cc2cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])ccc2s1 ZINC000422678845 1194688341 /nfs/dbraw/zinc/68/83/41/1194688341.db2.gz PWHSXFICSKTZHH-KRWDZBQOSA-N -1 0 394.405 0.968 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1=O ZINC000422678804 1194688410 /nfs/dbraw/zinc/68/84/10/1194688410.db2.gz PQANNSSNQUVVSB-KBPBESRZSA-N -1 0 387.396 0.328 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c(C(F)(F)F)c1 ZINC000422680133 1194688735 /nfs/dbraw/zinc/68/87/35/1194688735.db2.gz YFWHTOLJSKRWHX-AWEZNQCLSA-N -1 0 378.303 0.994 20 0 GCADRM 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C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2c(c1)NC(=O)CO2 ZINC000422712195 1194691512 /nfs/dbraw/zinc/69/15/12/1194691512.db2.gz GRHIYOOSXQQOPN-WZRBSPASSA-N -1 0 389.408 0.764 20 0 GCADRM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000422688274 1194691556 /nfs/dbraw/zinc/69/15/56/1194691556.db2.gz MLVLAYDRFXZAEE-NEPJUHHUSA-N -1 0 399.469 0.881 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1NS(C)(=O)=O ZINC000422688427 1194691663 /nfs/dbraw/zinc/69/16/63/1194691663.db2.gz CXXUOAPOBGUWQI-JQWIXIFHSA-N -1 0 397.453 0.874 20 0 GCADRM COc1c(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(Cl)cc1C(N)=O ZINC000422692056 1194691798 /nfs/dbraw/zinc/69/17/98/1194691798.db2.gz OWCHNFROVOOTCY-IUCAKERBSA-N -1 0 397.815 0.955 20 0 GCADRM CNC(=O)COc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000422689708 1194691878 /nfs/dbraw/zinc/69/18/78/1194691878.db2.gz YVMBZSQUWNROSY-HXPMCKFVSA-N -1 0 389.408 0.463 20 0 GCADRM 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1194769203 /nfs/dbraw/zinc/76/92/03/1194769203.db2.gz NPMBJSVJEFIFEI-UHFFFAOYSA-N -1 0 382.442 0.764 20 0 GCADRM CNC(=O)Cn1nc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)cc1C ZINC000504274816 1194773007 /nfs/dbraw/zinc/77/30/07/1194773007.db2.gz OBQGUAVPGFDWNC-UHFFFAOYSA-N -1 0 396.425 0.534 20 0 GCADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000504297452 1194776474 /nfs/dbraw/zinc/77/64/74/1194776474.db2.gz IDKGKPYNZZWAOL-UHFFFAOYSA-N -1 0 375.414 0.691 20 0 GCADRM CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC000504668006 1194803048 /nfs/dbraw/zinc/80/30/48/1194803048.db2.gz FDFMCFPMTDJFMY-UHFFFAOYSA-N -1 0 399.367 0.128 20 0 GCADRM COC(=O)c1c2c(sc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1)CCCCC2 ZINC000504670325 1194803064 /nfs/dbraw/zinc/80/30/64/1194803064.db2.gz RJCQLFXEMWOHNY-UHFFFAOYSA-N -1 0 393.425 0.882 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)n1 ZINC000424223651 1194805554 /nfs/dbraw/zinc/80/55/54/1194805554.db2.gz PVWNDSICAGSXOE-UHFFFAOYSA-N -1 0 386.361 0.568 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)n1 ZINC000424223068 1194805564 /nfs/dbraw/zinc/80/55/64/1194805564.db2.gz OFGYHNCLRMDBEJ-UHFFFAOYSA-N -1 0 383.386 0.132 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000424219244 1194805631 /nfs/dbraw/zinc/80/56/31/1194805631.db2.gz CSTMSAOSGBRJTB-UHFFFAOYSA-N -1 0 393.425 0.917 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)OCC)n(C)c2)n1 ZINC000424220163 1194805726 /nfs/dbraw/zinc/80/57/26/1194805726.db2.gz GWNYKXWYAGXMPS-UHFFFAOYSA-N -1 0 385.402 0.157 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(COC)ccc2OC)n1 ZINC000424225978 1194805997 /nfs/dbraw/zinc/80/59/97/1194805997.db2.gz WKXZBJJCZOPGKD-UHFFFAOYSA-N -1 0 384.414 0.797 20 0 GCADRM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)OCC)n2)c1 ZINC000424226119 1194806120 /nfs/dbraw/zinc/80/61/20/1194806120.db2.gz WRIHBUXUAQRFBV-UHFFFAOYSA-N -1 0 396.425 0.748 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccccc2Cn2cncn2)n1 ZINC000424226696 1194806167 /nfs/dbraw/zinc/80/61/67/1194806167.db2.gz YDXWUNCEJLDZLP-UHFFFAOYSA-N -1 0 391.413 0.282 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2ccc(-n3cnnc3)cc2)C1=O ZINC000424237218 1194806454 /nfs/dbraw/zinc/80/64/54/1194806454.db2.gz GCDQEVLETPUCOZ-NVXWUHKLSA-N -1 0 385.424 0.636 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)Cc2ccc(-n3cnnc3)cc2)C1=O ZINC000424237220 1194806456 /nfs/dbraw/zinc/80/64/56/1194806456.db2.gz GCDQEVLETPUCOZ-WBVHZDCISA-N -1 0 385.424 0.636 20 0 GCADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000424233816 1194806474 /nfs/dbraw/zinc/80/64/74/1194806474.db2.gz QGCDAOYOVSLVNT-LBPRGKRZSA-N -1 0 386.368 0.013 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424239292 1194806573 /nfs/dbraw/zinc/80/65/73/1194806573.db2.gz WJYVOCBOQFXORZ-UHFFFAOYSA-N -1 0 399.469 0.883 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000424216296 1194806721 /nfs/dbraw/zinc/80/67/21/1194806721.db2.gz ASNRGHYZUHNRBH-UHFFFAOYSA-N -1 0 390.425 0.887 20 0 GCADRM CCOC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)n1 ZINC000424216921 1194806739 /nfs/dbraw/zinc/80/67/39/1194806739.db2.gz BWVAHEMHEUINMJ-UHFFFAOYSA-N -1 0 393.425 0.551 20 0 GCADRM CSc1cc(C(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])ccc1NC(C)=O ZINC000424241006 1194807152 /nfs/dbraw/zinc/80/71/52/1194807152.db2.gz YHJWPDZIAVKAJI-LLVKDONJSA-N -1 0 391.409 0.773 20 0 GCADRM COC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc2[nH]ccc21 ZINC000424393183 1194809489 /nfs/dbraw/zinc/80/94/89/1194809489.db2.gz VUKRULHFOXTNKM-CYBMUJFWSA-N -1 0 395.393 0.670 20 0 GCADRM COC(=O)c1c(F)ccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1F ZINC000424394584 1194809578 /nfs/dbraw/zinc/80/95/78/1194809578.db2.gz YDUBPBHCQVBVRD-VIFPVBQESA-N -1 0 392.336 0.467 20 0 GCADRM COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1 ZINC000424382598 1194809959 /nfs/dbraw/zinc/80/99/59/1194809959.db2.gz OGMUERNIUKCTCR-FZMZJTMJSA-N -1 0 398.437 0.754 20 0 GCADRM CC(C)(C)c1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424385400 1194810021 /nfs/dbraw/zinc/81/00/21/1194810021.db2.gz CZYGNWHDTNRUEL-LLVKDONJSA-N -1 0 380.426 0.939 20 0 GCADRM CCCOc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1 ZINC000424386148 1194810251 /nfs/dbraw/zinc/81/02/51/1194810251.db2.gz DGPLSPJJRSCKDQ-LBPRGKRZSA-N -1 0 382.398 0.430 20 0 GCADRM COC(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(N(C)C)c1 ZINC000424382041 1194810259 /nfs/dbraw/zinc/81/02/59/1194810259.db2.gz APRFNRMKRSQYOO-CYBMUJFWSA-N -1 0 399.425 0.255 20 0 GCADRM CC(C)(C)c1ccccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424385402 1194810281 /nfs/dbraw/zinc/81/02/81/1194810281.db2.gz CZYGNWHDTNRUEL-NSHDSACASA-N -1 0 380.426 0.939 20 0 GCADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000424383826 1194810287 /nfs/dbraw/zinc/81/02/87/1194810287.db2.gz BLZGVULEUZRFDW-VIFPVBQESA-N -1 0 392.315 0.660 20 0 GCADRM COc1cc(C)cc(C)c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390088 1194810477 /nfs/dbraw/zinc/81/04/77/1194810477.db2.gz JFZVZXBGFGGZDP-SNVBAGLBSA-N -1 0 382.398 0.267 20 0 GCADRM COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424418374 1194810513 /nfs/dbraw/zinc/81/05/13/1194810513.db2.gz NFLGPXHWDGDPBL-AWEZNQCLSA-N -1 0 397.405 0.912 20 0 GCADRM CCOC(=O)c1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1 ZINC000424395896 1194810670 /nfs/dbraw/zinc/81/06/70/1194810670.db2.gz POQYZZZLNLJSHL-CYBMUJFWSA-N -1 0 384.410 0.257 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424437229 1194811402 /nfs/dbraw/zinc/81/14/02/1194811402.db2.gz NCQBIYMZWAVZTM-UHFFFAOYSA-N -1 0 391.424 0.778 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000424439304 1194811403 /nfs/dbraw/zinc/81/14/03/1194811403.db2.gz NPHSYZVZBRAISJ-UHFFFAOYSA-N -1 0 389.405 0.419 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21)C(=O)[O-] ZINC000424436971 1194811455 /nfs/dbraw/zinc/81/14/55/1194811455.db2.gz MSXLOWVRHLUJMW-CQSZACIVSA-N -1 0 391.424 0.534 20 0 GCADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424443836 1194811767 /nfs/dbraw/zinc/81/17/67/1194811767.db2.gz LMWVQLMXOKRDCL-UHFFFAOYSA-N -1 0 379.413 0.709 20 0 GCADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424448455 1194812325 /nfs/dbraw/zinc/81/23/25/1194812325.db2.gz XYEGSDSONYTORQ-UHFFFAOYSA-N -1 0 399.469 0.931 20 0 GCADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000424447648 1194812438 /nfs/dbraw/zinc/81/24/38/1194812438.db2.gz WGIPNEDUJOFYFY-UHFFFAOYSA-N -1 0 385.442 0.506 20 0 GCADRM CC(C)(CCNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C(=O)[O-] ZINC000424432774 1194812855 /nfs/dbraw/zinc/81/28/55/1194812855.db2.gz CJABLHXQNAKJJB-UHFFFAOYSA-N -1 0 388.417 0.926 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000424433430 1194813052 /nfs/dbraw/zinc/81/30/52/1194813052.db2.gz GZSQBIAUMURAEF-UHFFFAOYSA-N -1 0 399.469 0.849 20 0 GCADRM CC(C)(CCNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000424432831 1194813099 /nfs/dbraw/zinc/81/30/99/1194813099.db2.gz CQVJVPSFXAQBRZ-UHFFFAOYSA-N -1 0 392.380 0.924 20 0 GCADRM CCc1nsc(N2CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2)n1 ZINC000424476226 1194814162 /nfs/dbraw/zinc/81/41/62/1194814162.db2.gz CJDYFPXSSKWMPY-UHFFFAOYSA-N -1 0 383.474 0.366 20 0 GCADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1F ZINC000424476722 1194814300 /nfs/dbraw/zinc/81/43/00/1194814300.db2.gz ARWAWUCQZCQUKI-UHFFFAOYSA-N -1 0 381.404 0.597 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1)C(=O)[O-] ZINC000424479243 1194814520 /nfs/dbraw/zinc/81/45/20/1194814520.db2.gz HJJNAYNWDOKTOW-UHFFFAOYSA-N -1 0 381.454 0.650 20 0 GCADRM CC(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC12CCCCC2 ZINC000424480783 1194814919 /nfs/dbraw/zinc/81/49/19/1194814919.db2.gz IYMMFFRDQATGAK-UHFFFAOYSA-N -1 0 381.473 0.997 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1)C(=O)[O-] ZINC000424484297 1194815655 /nfs/dbraw/zinc/81/56/55/1194815655.db2.gz TXXWKORWAXPPSN-UHFFFAOYSA-N -1 0 397.457 0.332 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1)C(=O)[O-] ZINC000424486746 1194815843 /nfs/dbraw/zinc/81/58/43/1194815843.db2.gz IXLFXGFJYYQPLD-STQMWFEESA-N -1 0 380.445 0.764 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCCN(c2nc(C)ns2)CC1)C(=O)[O-] ZINC000424486857 1194815876 /nfs/dbraw/zinc/81/58/76/1194815876.db2.gz GUMCPCZAMIVBCZ-UHFFFAOYSA-N -1 0 397.501 0.892 20 0 GCADRM CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000424489303 1194816282 /nfs/dbraw/zinc/81/62/82/1194816282.db2.gz PXCBPGLEUWKJBL-GFCCVEGCSA-N -1 0 393.444 0.132 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCN(CCc2ccccc2)CC1)C(=O)[O-] ZINC000424488707 1194816389 /nfs/dbraw/zinc/81/63/89/1194816389.db2.gz NAKJLQIPKYYJSU-UHFFFAOYSA-N -1 0 375.469 0.990 20 0 GCADRM C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000424491786 1194816629 /nfs/dbraw/zinc/81/66/29/1194816629.db2.gz YWJBFNBNFCEMBL-LBPRGKRZSA-N -1 0 375.425 0.651 20 0 GCADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-] ZINC000424490195 1194816751 /nfs/dbraw/zinc/81/67/51/1194816751.db2.gz UQYPYZKLRRGZIO-UONOGXRCSA-N -1 0 381.473 0.899 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NCC(=O)N1Cc2ccccc2C1)C(=O)[O-] ZINC000424492115 1194817009 /nfs/dbraw/zinc/81/70/09/1194817009.db2.gz ZPWFMONJJPXFSJ-UHFFFAOYSA-N -1 0 375.425 0.652 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000424492988 1194817335 /nfs/dbraw/zinc/81/73/35/1194817335.db2.gz BRMSRQFBOBOOSU-GFCCVEGCSA-N -1 0 397.378 0.803 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2ncccc2F)CC1)C(=O)[O-] ZINC000424495740 1194817567 /nfs/dbraw/zinc/81/75/67/1194817567.db2.gz RRWOMEKXNICAGT-UHFFFAOYSA-N -1 0 380.420 0.877 20 0 GCADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C(=O)[O-] ZINC000424497250 1194818335 /nfs/dbraw/zinc/81/83/35/1194818335.db2.gz ICMSIJNWOISELC-STQMWFEESA-N -1 0 388.428 0.703 20 0 GCADRM C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1c1ccccc1 ZINC000424500819 1194818640 /nfs/dbraw/zinc/81/86/40/1194818640.db2.gz LWEPCQKYIWAAFH-GXTWGEPZSA-N -1 0 375.425 0.914 20 0 GCADRM CCN(CC)C(=O)N1CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000424505036 1194818854 /nfs/dbraw/zinc/81/88/54/1194818854.db2.gz KMRAOAARPKYTKT-UHFFFAOYSA-N -1 0 384.477 0.600 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000424503271 1194818936 /nfs/dbraw/zinc/81/89/36/1194818936.db2.gz ORZUCJRSHOTHAY-CQSZACIVSA-N -1 0 390.440 0.306 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C)C(=O)[O-] ZINC000424507371 1194819124 /nfs/dbraw/zinc/81/91/24/1194819124.db2.gz NCOWRXUPMWQGKF-ZDUSSCGKSA-N -1 0 385.461 0.089 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000424508493 1194819266 /nfs/dbraw/zinc/81/92/66/1194819266.db2.gz VUQGJPCQNDBWFL-UHFFFAOYSA-N -1 0 399.394 0.818 20 0 GCADRM CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000424513291 1194820644 /nfs/dbraw/zinc/82/06/44/1194820644.db2.gz CUHUBJHBIDNUDR-CYBMUJFWSA-N -1 0 399.469 0.074 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCc1ccccc1N1CCOCC1)C(=O)[O-] ZINC000424517419 1194820934 /nfs/dbraw/zinc/82/09/34/1194820934.db2.gz LCEWUUWKKAPPID-UHFFFAOYSA-N -1 0 377.441 0.757 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC000424522182 1194821586 /nfs/dbraw/zinc/82/15/86/1194821586.db2.gz RNXKUDYRKUHOMI-OAHLLOKOSA-N -1 0 389.452 0.911 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424521330 1194821649 /nfs/dbraw/zinc/82/16/49/1194821649.db2.gz QRWIEXICIUBZEX-UHFFFAOYSA-N -1 0 399.469 0.170 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000424523828 1194822039 /nfs/dbraw/zinc/82/20/39/1194822039.db2.gz URKSNUBLJWLMIV-UHFFFAOYSA-N -1 0 389.408 0.406 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCCNC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000424523275 1194822087 /nfs/dbraw/zinc/82/20/87/1194822087.db2.gz SXHAUSYBBKCUGT-UHFFFAOYSA-N -1 0 383.832 0.803 20 0 GCADRM CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424526281 1194822222 /nfs/dbraw/zinc/82/22/22/1194822222.db2.gz WTXAJZAMTRUEDX-UHFFFAOYSA-N -1 0 393.440 0.387 20 0 GCADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)cc2c1OCCO2 ZINC000424606752 1194825616 /nfs/dbraw/zinc/82/56/16/1194825616.db2.gz YRYUDPYDPZKSNW-LLVKDONJSA-N -1 0 394.409 0.773 20 0 GCADRM COCC(C)(C)N1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000424605538 1194825642 /nfs/dbraw/zinc/82/56/42/1194825642.db2.gz WIFONNJKSPVGTL-UHFFFAOYSA-N -1 0 386.470 0.881 20 0 GCADRM COc1ccnc(CNS(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)n1 ZINC000424598870 1194825744 /nfs/dbraw/zinc/82/57/44/1194825744.db2.gz MEAKGEBIUMFGQQ-UHFFFAOYSA-N -1 0 383.382 0.679 20 0 GCADRM COc1cccc(S([O-])=CC(=O)NCCCn2nc3n(c2=O)CCCC3)c1 ZINC000424607772 1194825982 /nfs/dbraw/zinc/82/59/82/1194825982.db2.gz RLEROWMYQLLGGT-HHHXNRCGSA-N -1 0 392.481 0.704 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(Cc3nc(C)no3)CC2)c1 ZINC000424639340 1194827011 /nfs/dbraw/zinc/82/70/11/1194827011.db2.gz MEAWPWALXSLHBI-AREMUKBSSA-N -1 0 378.454 0.839 20 0 GCADRM COc1cccc(S([O-])=CC(=O)NC2CCN(c3nnnn3C)CC2)c1 ZINC000424648615 1194827309 /nfs/dbraw/zinc/82/73/09/1194827309.db2.gz WGHBFMWDTKHTQW-AREMUKBSSA-N -1 0 378.458 0.112 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC000424686981 1194827757 /nfs/dbraw/zinc/82/77/57/1194827757.db2.gz BNFIQXMDHCOUHB-DNOBIOAJSA-N -1 0 393.465 0.640 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 ZINC000424692603 1194827771 /nfs/dbraw/zinc/82/77/71/1194827771.db2.gz NZGVYFYWNVRUKL-YVORESIASA-N -1 0 390.465 0.848 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000424692505 1194828003 /nfs/dbraw/zinc/82/80/03/1194828003.db2.gz HZGSROBIALYMPQ-JWIGPWBQSA-N -1 0 392.481 0.939 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000424673424 1194828141 /nfs/dbraw/zinc/82/81/41/1194828141.db2.gz JOMQGTHWONJXRL-AREMUKBSSA-N -1 0 377.470 0.574 20 0 GCADRM COc1cccc(S([O-])=CC(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 ZINC000424669434 1194828342 /nfs/dbraw/zinc/82/83/42/1194828342.db2.gz URAMEDUVNZHKBH-SANMLTNESA-N -1 0 381.498 0.472 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1c1ccc(F)cc1F ZINC000425023622 1194836339 /nfs/dbraw/zinc/83/63/39/1194836339.db2.gz NPWUECMZRXOUTJ-QWHCGFSZSA-N -1 0 393.346 0.793 20 0 GCADRM COC(=O)c1coc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(N)=O)c1 ZINC000513820710 1194837608 /nfs/dbraw/zinc/83/76/08/1194837608.db2.gz VBYLQCGOCZRQAS-UHFFFAOYSA-N -1 0 384.366 0.983 20 0 GCADRM CCOC[C@@H](O)CNC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1 ZINC000434444630 1194844798 /nfs/dbraw/zinc/84/47/98/1194844798.db2.gz DUUZQLBGWUQJLH-HNNXBMFYSA-N -1 0 377.397 0.008 20 0 GCADRM Cc1cc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000434681745 1194860754 /nfs/dbraw/zinc/86/07/54/1194860754.db2.gz RJLIDQPYXHKTCC-SNVBAGLBSA-N -1 0 395.441 0.287 20 0 GCADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CC(C)(C(=O)OC)C3)cc2)[n-]1 ZINC000425155907 1194863090 /nfs/dbraw/zinc/86/30/90/1194863090.db2.gz WWVLABPJMLGBCL-UHFFFAOYSA-N -1 0 387.392 0.516 20 0 GCADRM CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1nnn[n-]1 ZINC000434786611 1194869864 /nfs/dbraw/zinc/86/98/64/1194869864.db2.gz SRHZPOYVSGHLNN-LLVKDONJSA-N -1 0 399.502 0.537 20 0 GCADRM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@H](n4ccnn4)C3)cc-2c(=O)[n-]1 ZINC000425209121 1194872953 /nfs/dbraw/zinc/87/29/53/1194872953.db2.gz UACYCODMDQZGMV-VIFPVBQESA-N -1 0 377.386 0.053 20 0 GCADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366620847 1194884963 /nfs/dbraw/zinc/88/49/63/1194884963.db2.gz KGAJIALGVSVNEV-TZMCWYRMSA-N -1 0 376.800 0.961 20 0 GCADRM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000514613597 1194887998 /nfs/dbraw/zinc/88/79/98/1194887998.db2.gz KOTTVLFUPVNTFG-UHFFFAOYSA-N -1 0 385.342 0.974 20 0 GCADRM COc1cccc(-c2nc(=NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)s[n-]2)c1 ZINC000435204570 1194900538 /nfs/dbraw/zinc/90/05/38/1194900538.db2.gz ATBPDBMVKRAICV-LLVKDONJSA-N -1 0 389.437 0.359 20 0 GCADRM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425305160 1194903228 /nfs/dbraw/zinc/90/32/28/1194903228.db2.gz QQYIGGPVNLAKKD-GXTWGEPZSA-N -1 0 390.444 0.978 20 0 GCADRM CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425305162 1194903362 /nfs/dbraw/zinc/90/33/62/1194903362.db2.gz QQYIGGPVNLAKKD-OCCSQVGLSA-N -1 0 390.444 0.978 20 0 GCADRM O=c1c2sccc2nc(SCc2nnn[n-]2)n1CCCN1CCOCC1 ZINC000435237055 1194904674 /nfs/dbraw/zinc/90/46/74/1194904674.db2.gz VXLNTDKCSIJQQI-UHFFFAOYSA-N -1 0 393.498 0.986 20 0 GCADRM Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000514786392 1194908398 /nfs/dbraw/zinc/90/83/98/1194908398.db2.gz BTYDWOXFIPUPJT-KBPBESRZSA-N -1 0 377.445 0.218 20 0 GCADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(NC(=O)NCC(N)=O)c2)c1 ZINC000435503280 1194939507 /nfs/dbraw/zinc/93/95/07/1194939507.db2.gz CIXQNTYHABCNGA-UHFFFAOYSA-N -1 0 380.430 0.872 20 0 GCADRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)s[n-]1 ZINC000515254639 1194963775 /nfs/dbraw/zinc/96/37/75/1194963775.db2.gz FEURJQXEWFLSQW-VHSXEESVSA-N -1 0 379.446 0.718 20 0 GCADRM COC(=O)c1csc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1 ZINC000515287353 1194964907 /nfs/dbraw/zinc/96/49/07/1194964907.db2.gz JHKFZOYLQHTZRY-TZMCWYRMSA-N -1 0 399.446 0.870 20 0 GCADRM O=C([O-])c1coc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 ZINC000515302011 1194966489 /nfs/dbraw/zinc/96/64/89/1194966489.db2.gz GTSBPWLAVAXLNX-UHFFFAOYSA-N -1 0 377.382 0.760 20 0 GCADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000435921178 1194973333 /nfs/dbraw/zinc/97/33/33/1194973333.db2.gz BZCOSZMAIOVZHG-OLZOCXBDSA-N -1 0 399.469 0.391 20 0 GCADRM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1 ZINC000435921054 1194973348 /nfs/dbraw/zinc/97/33/48/1194973348.db2.gz BZCOSZMAIOVZHG-CHWSQXEVSA-N -1 0 399.469 0.391 20 0 GCADRM CCCN(C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H](COC)C(=O)[O-] ZINC000515427464 1194974807 /nfs/dbraw/zinc/97/48/07/1194974807.db2.gz ADBDRCVQQQKNTA-RISCZKNCSA-N -1 0 387.458 0.916 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000515631089 1194987944 /nfs/dbraw/zinc/98/79/44/1194987944.db2.gz URFAJKMBOBYLRS-UHFFFAOYSA-N -1 0 378.406 0.996 20 0 GCADRM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000515636036 1194988442 /nfs/dbraw/zinc/98/84/42/1194988442.db2.gz ZMCZYXMVCTUXBO-UHFFFAOYSA-N -1 0 394.438 0.371 20 0 GCADRM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cn1C ZINC000515643470 1194989101 /nfs/dbraw/zinc/98/91/01/1194989101.db2.gz UMAGBYRTQUKTRI-HNNXBMFYSA-N -1 0 393.421 0.424 20 0 GCADRM COc1cc(NC(=O)c2c(C)[n-]n([C@H]3CCS(=O)(=O)C3)c2=O)cc(OC)c1 ZINC000505771538 1194990317 /nfs/dbraw/zinc/99/03/17/1194990317.db2.gz NPXGQKXDEOVLEY-WFASDCNBSA-N -1 0 395.437 0.664 20 0 GCADRM COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000436522204 1195013313 /nfs/dbraw/zinc/01/33/13/1195013313.db2.gz KPBWHYWTORPTRQ-LBPRGKRZSA-N -1 0 385.411 0.969 20 0 GCADRM CCOC(=O)CCCS(=O)(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000436629122 1195019993 /nfs/dbraw/zinc/01/99/93/1195019993.db2.gz IMPOUUQIBODGSN-UHFFFAOYSA-N -1 0 384.454 0.823 20 0 GCADRM CNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000287172243 1195021176 /nfs/dbraw/zinc/02/11/76/1195021176.db2.gz DNSUZEGVSLLSSC-VIFPVBQESA-N -1 0 397.413 0.335 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NC[C@H]3CCCOC3)cc2)C1 ZINC000516106152 1195021453 /nfs/dbraw/zinc/02/14/53/1195021453.db2.gz FTBOSMBVUQCLTD-CHWSQXEVSA-N -1 0 382.438 0.829 20 0 GCADRM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NC[C@H]3CCCOC3)cc2)C1 ZINC000516106153 1195021605 /nfs/dbraw/zinc/02/16/05/1195021605.db2.gz FTBOSMBVUQCLTD-OLZOCXBDSA-N -1 0 382.438 0.829 20 0 GCADRM COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000436667114 1195023598 /nfs/dbraw/zinc/02/35/98/1195023598.db2.gz SUYXVKPRQRRGAE-UHFFFAOYSA-N -1 0 375.366 0.955 20 0 GCADRM CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C[C@H]1OC ZINC000436742525 1195030950 /nfs/dbraw/zinc/03/09/50/1195030950.db2.gz XPWPLEDJQCESJB-HZPDHXFCSA-N -1 0 384.454 0.663 20 0 GCADRM COCCc1noc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])n1 ZINC000436771614 1195034172 /nfs/dbraw/zinc/03/41/72/1195034172.db2.gz AESMQIMIAFMQHD-UHFFFAOYSA-N -1 0 398.441 0.487 20 0 GCADRM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])C1 ZINC000436771473 1195034243 /nfs/dbraw/zinc/03/42/43/1195034243.db2.gz VVIDLMJJNNMZCP-ZDUSSCGKSA-N -1 0 383.470 0.631 20 0 GCADRM O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000436777041 1195035235 /nfs/dbraw/zinc/03/52/35/1195035235.db2.gz XIYNNJUTFSYIIN-UHFFFAOYSA-N -1 0 395.375 0.740 20 0 GCADRM CC[C@H]1CN(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CCO1 ZINC000436816916 1195038041 /nfs/dbraw/zinc/03/80/41/1195038041.db2.gz QHDXDSSVUDBOOM-ZDUSSCGKSA-N -1 0 385.486 0.483 20 0 GCADRM O=C(N[C@@H](CO)[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436812270 1195039085 /nfs/dbraw/zinc/03/90/85/1195039085.db2.gz LGQLVJKUFLBERO-HOCLYGCPSA-N -1 0 384.454 0.446 20 0 GCADRM O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1[O-])N1CCc2n[nH]nc2C1 ZINC000436835058 1195039736 /nfs/dbraw/zinc/03/97/36/1195039736.db2.gz SWCYAADQFPXFDI-UHFFFAOYSA-N -1 0 377.426 0.493 20 0 GCADRM CC(C)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1=O ZINC000436832765 1195039792 /nfs/dbraw/zinc/03/97/92/1195039792.db2.gz IKPKQMGJDMBTMA-UHFFFAOYSA-N -1 0 383.470 0.583 20 0 GCADRM C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436830630 1195039879 /nfs/dbraw/zinc/03/98/79/1195039879.db2.gz DFJBZNGCUYWKOZ-LBPRGKRZSA-N -1 0 381.454 0.479 20 0 GCADRM O=C(c1ccc2ccccc2c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000436823164 1195040684 /nfs/dbraw/zinc/04/06/84/1195040684.db2.gz ZRKLYRWBXGPABC-UHFFFAOYSA-N 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CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000436999008 1195056839 /nfs/dbraw/zinc/05/68/39/1195056839.db2.gz DKQZXQKSSQDKEO-UHFFFAOYSA-N -1 0 375.362 0.925 20 0 GCADRM COc1cccc(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000437228559 1195083553 /nfs/dbraw/zinc/08/35/53/1195083553.db2.gz PPRNWHLXGVPJDK-UHFFFAOYSA-N -1 0 376.394 0.966 20 0 GCADRM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000437220956 1195085068 /nfs/dbraw/zinc/08/50/68/1195085068.db2.gz RYGADYADNRQQFL-VIFPVBQESA-N -1 0 381.414 0.102 20 0 GCADRM CN(C)c1ncccc1CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000437252871 1195086817 /nfs/dbraw/zinc/08/68/17/1195086817.db2.gz GPUKUFCAAIRPJU-UHFFFAOYSA-N -1 0 376.398 0.376 20 0 GCADRM O=c1nc2[nH]cc(S(=O)(=O)NCc3cccc4c3OCO4)cc-2c(=O)[n-]1 ZINC000437256881 1195087258 /nfs/dbraw/zinc/08/72/58/1195087258.db2.gz MRGZITWIADRSGJ-UHFFFAOYSA-N -1 0 376.350 0.643 20 0 GCADRM Cc1ccn2cc(CNS(=O)(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)nc2c1 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C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145274 952181563 /nfs/dbraw/zinc/18/15/63/952181563.db2.gz UVZHCYYHLKEOMD-NSHDSACASA-N -1 0 380.412 0.586 20 0 GCADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145273 952181651 /nfs/dbraw/zinc/18/16/51/952181651.db2.gz UVZHCYYHLKEOMD-LLVKDONJSA-N -1 0 380.412 0.586 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575145390 952183059 /nfs/dbraw/zinc/18/30/59/952183059.db2.gz WXYZBHWXENFMHW-NSHDSACASA-N -1 0 382.432 0.184 20 0 GCADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575145370 952183747 /nfs/dbraw/zinc/18/37/47/952183747.db2.gz WOUUNZGAGAMQLR-SNVBAGLBSA-N -1 0 382.432 0.262 20 0 GCADRM O=C([O-])Cn1cnc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC001595160581 952192250 /nfs/dbraw/zinc/19/22/50/952192250.db2.gz QNJNFOYPCNJOPE-UHFFFAOYSA-N -1 0 378.288 0.909 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCCCCn1cc(Br)cn1 ZINC001595169118 952217267 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CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001602902795 971827999 /nfs/dbraw/zinc/82/79/99/971827999.db2.gz HQGUKOBQTYKGTM-UHFFFAOYSA-N -1 0 381.433 0.827 20 0 GCADRM C[C@H](COCC1CCCCC1)NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001575176502 952394038 /nfs/dbraw/zinc/39/40/38/952394038.db2.gz HPVCCFISJVTWNF-LLVKDONJSA-N -1 0 391.432 0.231 20 0 GCADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c[nH]nc1-c1nnn[n-]1 ZINC001575184924 952425629 /nfs/dbraw/zinc/42/56/29/952425629.db2.gz HLXQWBRWLGULQF-QMMMGPOBSA-N -1 0 379.377 0.777 20 0 GCADRM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001575187602 952441984 /nfs/dbraw/zinc/44/19/84/952441984.db2.gz DIYWBJGGWZSMAT-CORIIIEPSA-N -1 0 392.485 0.619 20 0 GCADRM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001571115210 952464418 /nfs/dbraw/zinc/46/44/18/952464418.db2.gz RYOCWUQZQYXOPL-GHMZBOCLSA-N -1 0 375.357 0.227 20 0 GCADRM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccnc(-c2nnn[n-]2)n1 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ZINC001594111283 958508192 /nfs/dbraw/zinc/50/81/92/958508192.db2.gz RMTQTJHCDGNTFH-HNNXBMFYSA-N -1 0 383.426 0.943 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)cc1C(N)=O ZINC001594111531 958510049 /nfs/dbraw/zinc/51/00/49/958510049.db2.gz DISHEWRYJFJEQN-GCULGPDHSA-N -1 0 398.437 0.485 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC001594111745 958513530 /nfs/dbraw/zinc/51/35/30/958513530.db2.gz QTLCYJIONHCQKU-HUBLWGQQSA-N -1 0 384.454 0.931 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001594111746 958513539 /nfs/dbraw/zinc/51/35/39/958513539.db2.gz QTLCYJIONHCQKU-SLEUVZQESA-N -1 0 384.454 0.931 20 0 GCADRM Cc1ccc(NC(=O)CN(C)C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001594369092 958525875 /nfs/dbraw/zinc/52/58/75/958525875.db2.gz ROVVGHNMTFFVNW-UHFFFAOYSA-N -1 0 382.438 0.672 20 0 GCADRM COc1ccc([C@@]2(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)C[C@@H](O)C2)cc1 ZINC001594112486 958528538 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386.474 0.678 20 0 GCADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)CC[C@H]1CC1(Cl)Cl ZINC001588508853 958756447 /nfs/dbraw/zinc/75/64/47/958756447.db2.gz TUKJOOZXHYMMFK-WPRPVWTQSA-N -1 0 375.274 0.811 20 0 GCADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)CC[C@@H]1CC1(Cl)Cl ZINC001588508849 958756909 /nfs/dbraw/zinc/75/69/09/958756909.db2.gz TUKJOOZXHYMMFK-PSASIEDQSA-N -1 0 375.274 0.811 20 0 GCADRM CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)C1=O ZINC001573414575 958757564 /nfs/dbraw/zinc/75/75/64/958757564.db2.gz UFQGSAQMYSYSBY-CYBMUJFWSA-N -1 0 398.456 0.564 20 0 GCADRM COc1ccccc1O[C@@H](C)CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594146043 958762050 /nfs/dbraw/zinc/76/20/50/958762050.db2.gz MADQGEMKYDHFLE-LBPRGKRZSA-N -1 0 385.438 0.858 20 0 GCADRM CC(=O)NCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)C(=O)[O-] ZINC001588512934 958762653 /nfs/dbraw/zinc/76/26/53/958762653.db2.gz FNXVXIKSRRJQEN-LBPRGKRZSA-N -1 0 378.429 0.238 20 0 GCADRM 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AIKSGYNHAZBZMI-HOTGVXAUSA-N -1 0 398.481 0.834 20 0 GCADRM C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000262248286 961591766 /nfs/dbraw/zinc/59/17/66/961591766.db2.gz BWMACRCSUVHWQU-JSGCOSHPSA-N -1 0 384.454 0.937 20 0 GCADRM CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1 ZINC001332590786 961596081 /nfs/dbraw/zinc/59/60/81/961596081.db2.gz MJDVDVRXWHPORN-ZDUSSCGKSA-N -1 0 378.410 0.608 20 0 GCADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccccc2OCCN2CCOCC2)O1 ZINC001332597886 961597369 /nfs/dbraw/zinc/59/73/69/961597369.db2.gz QHXUBLZMCFRTTH-SJORKVTESA-N -1 0 378.425 0.646 20 0 GCADRM CC(C)[C@@H](CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)[O-] ZINC001588817037 961599693 /nfs/dbraw/zinc/59/96/93/961599693.db2.gz TZTABFSRFBQEES-QWHCGFSZSA-N -1 0 385.461 0.927 20 0 GCADRM Cn1nccc1[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)[O-] ZINC001574471713 961599960 /nfs/dbraw/zinc/59/99/60/961599960.db2.gz CZOQANYYGSSUCX-KDOFPFPSSA-N -1 0 385.380 0.129 20 0 GCADRM Cn1nccc1[C@@H](NC(=O)c1ccc(I)cn1)C(=O)[O-] ZINC001574472827 961613713 /nfs/dbraw/zinc/61/37/13/961613713.db2.gz PZHNHYGGERUSGD-SNVBAGLBSA-N -1 0 386.149 0.975 20 0 GCADRM CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)[O-] ZINC000262291137 961623717 /nfs/dbraw/zinc/62/37/17/961623717.db2.gz NPLASGPVNVTDCY-LBPRGKRZSA-N -1 0 384.410 0.461 20 0 GCADRM Cn1nccc1[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CCO1 ZINC001574473749 961630672 /nfs/dbraw/zinc/63/06/72/961630672.db2.gz ATAKGNXBHIWJDO-DGCLKSJQSA-N -1 0 385.442 0.036 20 0 GCADRM CC(C)[C@@H](CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)C(=O)[O-] ZINC001588823233 961645060 /nfs/dbraw/zinc/64/50/60/961645060.db2.gz RMMCZDKJCHFJBY-HZPDHXFCSA-N -1 0 376.457 0.897 20 0 GCADRM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000262324394 961645723 /nfs/dbraw/zinc/64/57/23/961645723.db2.gz SSTHXCHTCFEPJF-UHFFFAOYSA-N -1 0 397.453 0.501 20 0 GCADRM C[C@](O)(CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(=O)[O-] ZINC000262335133 961651929 /nfs/dbraw/zinc/65/19/29/961651929.db2.gz BQORICIRTYOKCN-INIZCTEOSA-N -1 0 398.462 0.792 20 0 GCADRM C[C@@](O)(CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(=O)[O-] ZINC000262335137 961652052 /nfs/dbraw/zinc/65/20/52/961652052.db2.gz BQORICIRTYOKCN-MRXNPFEDSA-N -1 0 398.462 0.792 20 0 GCADRM C[C@@]1(c2cccc(C(=O)N3C[C@H]4COCC[C@@]4(C(=O)[O-])C3)c2)NC(=O)NC1=O ZINC000262352570 961664362 /nfs/dbraw/zinc/66/43/62/961664362.db2.gz HOTYFXOPAKZGJN-FASAQXTFSA-N -1 0 387.392 0.305 20 0 GCADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573956345 961670002 /nfs/dbraw/zinc/67/00/02/961670002.db2.gz CHOAOBOTEVLELS-HNNXBMFYSA-N -1 0 396.465 0.848 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000262376681 961680693 /nfs/dbraw/zinc/68/06/93/961680693.db2.gz GINJCXFVWQOEBL-UHFFFAOYSA-N -1 0 380.422 0.799 20 0 GCADRM COc1ccc(S(=O)(=O)N(C)C[C@H](C)C(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000262378774 961682690 /nfs/dbraw/zinc/68/26/90/961682690.db2.gz GRGREXMFSCEXTD-FVMDXXJSSA-N -1 0 399.425 0.091 20 0 GCADRM COc1ccccc1N1C[C@H](C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1=O ZINC000262390705 961690674 /nfs/dbraw/zinc/69/06/74/961690674.db2.gz MUBHLAAWPTZKAF-LAPQFRIASA-N -1 0 388.420 0.998 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCC(=O)[O-])c1 ZINC000262388922 961690760 /nfs/dbraw/zinc/69/07/60/961690760.db2.gz ADKBZVCLEAQISL-UHFFFAOYSA-N -1 0 399.469 0.368 20 0 GCADRM Cc1oc(CN(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1C(=O)[O-] ZINC000262431682 961716145 /nfs/dbraw/zinc/71/61/45/961716145.db2.gz DWWVSMWCIZETGM-UHFFFAOYSA-N -1 0 379.394 0.742 20 0 GCADRM COCCOc1ccc(-n2nc(C)c(C(=O)NC[C@@](C)(O)C(=O)[O-])n2)cc1 ZINC000262432257 961716347 /nfs/dbraw/zinc/71/63/47/961716347.db2.gz SQILXDHPKHHLLL-QGZVFWFLSA-N -1 0 378.385 0.166 20 0 GCADRM C[C@](O)(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000262433977 961718357 /nfs/dbraw/zinc/71/83/57/961718357.db2.gz SVYFZGLRTLJXDI-KRWDZBQOSA-N -1 0 397.453 0.237 20 0 GCADRM CC[C@@](C)(NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000262438359 961721761 /nfs/dbraw/zinc/72/17/61/961721761.db2.gz NMOBTIDSTWFILY-MRXNPFEDSA-N -1 0 388.442 0.742 20 0 GCADRM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000262439160 961721787 /nfs/dbraw/zinc/72/17/87/961721787.db2.gz FYLOYZMHKPPALK-CYBMUJFWSA-N -1 0 397.453 0.501 20 0 GCADRM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000262459072 961731692 /nfs/dbraw/zinc/73/16/92/961731692.db2.gz IGAGGXDZYGKHNZ-LBPRGKRZSA-N -1 0 384.454 0.815 20 0 GCADRM Cn1c2ncn(CCC(=O)Nc3cccc(CCC(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000262457056 961731891 /nfs/dbraw/zinc/73/18/91/961731891.db2.gz FJKLZLYMYBKAFL-UHFFFAOYSA-N -1 0 399.407 0.480 20 0 GCADRM NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001574496223 961732355 /nfs/dbraw/zinc/73/23/55/961732355.db2.gz IPHPXGFDJDHOKO-IUODEOHRSA-N -1 0 393.415 0.903 20 0 GCADRM NC(=O)CCNC(=O)c1cccc(NC(=O)C2(CC(=O)[O-])CCOCC2)c1 ZINC001574497227 961738397 /nfs/dbraw/zinc/73/83/97/961738397.db2.gz SZEZXTGSNPHFFZ-UHFFFAOYSA-N -1 0 377.397 0.502 20 0 GCADRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc(C(=O)[O-])nn3C)CC2)C1 ZINC001334026102 961750607 /nfs/dbraw/zinc/75/06/07/961750607.db2.gz UDXJZWKMCBIFSC-ZIAGYGMSSA-N -1 0 391.472 0.381 20 0 GCADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1 ZINC000262516979 961757514 /nfs/dbraw/zinc/75/75/14/961757514.db2.gz CUWOJEKZGSKBIF-CYBMUJFWSA-N -1 0 383.426 0.046 20 0 GCADRM C[C@](O)(CNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)[O-] ZINC000262521840 961758903 /nfs/dbraw/zinc/75/89/03/961758903.db2.gz NYODRZNCDVMEEU-ZMZPIMSZSA-N -1 0 376.365 0.027 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262529508 961760717 /nfs/dbraw/zinc/76/07/17/961760717.db2.gz PHKCCKOKHVLFGE-LLVKDONJSA-N -1 0 380.426 0.743 20 0 GCADRM O=C([O-])[C@@]1(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccn3)CC2)CCOC1 ZINC001334164113 961763209 /nfs/dbraw/zinc/76/32/09/961763209.db2.gz JXDKJCGMWDZNDB-FXAWDEMLSA-N -1 0 388.468 0.434 20 0 GCADRM C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C(=O)[O-] ZINC000262541190 961764144 /nfs/dbraw/zinc/76/41/44/961764144.db2.gz RBYOYIXQFZBWSB-MRXNPFEDSA-N -1 0 398.462 0.792 20 0 GCADRM C[C@](O)(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000262542020 961765260 /nfs/dbraw/zinc/76/52/60/961765260.db2.gz RGEOODRVGYVUCS-BZNIZROVSA-N -1 0 388.417 0.178 20 0 GCADRM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262543502 961765282 /nfs/dbraw/zinc/76/52/82/961765282.db2.gz VLBOGLZEEZARAP-AWEZNQCLSA-N -1 0 377.376 0.343 20 0 GCADRM Cn1c2ncn(CC(=O)Nc3cccc(CCC(=O)[O-])c3)c2c(=O)n(C)c1=O ZINC000262567500 961774169 /nfs/dbraw/zinc/77/41/69/961774169.db2.gz YETHEYCEUYEMTH-UHFFFAOYSA-N -1 0 385.380 0.090 20 0 GCADRM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001574503243 961774123 /nfs/dbraw/zinc/77/41/23/961774123.db2.gz WOFUQYAIBDCZGH-MAADDNGKSA-N -1 0 385.420 0.769 20 0 GCADRM NS(=O)(=O)c1ccc(NCC(=O)NCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC001574508499 961797326 /nfs/dbraw/zinc/79/73/26/961797326.db2.gz XOVVGOIQQXXVGM-UHFFFAOYSA-N -1 0 381.385 0.900 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC000262662532 961798037 /nfs/dbraw/zinc/79/80/37/961798037.db2.gz YYNWZGPKXYMGHZ-AWEZNQCLSA-N -1 0 380.422 0.942 20 0 GCADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)C1(CC(=O)[O-])CCOCC1)C(F)(F)F ZINC001573990367 961817807 /nfs/dbraw/zinc/81/78/07/961817807.db2.gz HTJZOHNIHVLEID-SECBINFHSA-N -1 0 390.380 0.196 20 0 GCADRM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ccc1F ZINC001573991444 961832667 /nfs/dbraw/zinc/83/26/67/961832667.db2.gz ITLZIJVGSDHVEG-CYBMUJFWSA-N -1 0 384.389 0.365 20 0 GCADRM CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)C(=O)[O-])c2)CC1 ZINC000262735559 961838377 /nfs/dbraw/zinc/83/83/77/961838377.db2.gz DEMXZQCEMDVBHV-GFCCVEGCSA-N -1 0 397.453 0.085 20 0 GCADRM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588843268 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C[C@H](CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)CC1(C)OCCO1 ZINC000846124395 969249330 /nfs/dbraw/zinc/24/93/30/969249330.db2.gz HKBVRGKGTIDKTC-KBPBESRZSA-N -1 0 397.472 0.883 20 0 GCADRM CC(C)(C)[S@@](=O)CCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000846124503 969250028 /nfs/dbraw/zinc/25/00/28/969250028.db2.gz IZZFNPXLASJCLK-QDXKXIGTSA-N -1 0 387.502 0.641 20 0 GCADRM CC(C)(C)[S@](=O)CCNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000846124501 969250609 /nfs/dbraw/zinc/25/06/09/969250609.db2.gz IZZFNPXLASJCLK-MZHQLVBMSA-N -1 0 387.502 0.641 20 0 GCADRM Cc1cc2nc(C)cc(C(=O)N3CCC(N4C[C@@H](C(=O)[O-])CC4=O)CC3)n2n1 ZINC000846711359 969255618 /nfs/dbraw/zinc/25/56/18/969255618.db2.gz LRDBIEPBJUWTAH-ZDUSSCGKSA-N -1 0 385.424 0.884 20 0 GCADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116661847 969661832 /nfs/dbraw/zinc/66/18/32/969661832.db2.gz CBZIVKUMDMUJTC-SSDOTTSWSA-N -1 0 384.241 0.988 20 0 GCADRM O=C([O-])c1cnc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC001118169956 969663686 /nfs/dbraw/zinc/66/36/86/969663686.db2.gz GGQFBJAQUSDHCF-UHFFFAOYSA-N -1 0 387.371 0.710 20 0 GCADRM O=C([O-])CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C1CCC1 ZINC001118325640 969665981 /nfs/dbraw/zinc/66/59/81/969665981.db2.gz KIYXTVSYRHTKLO-UHFFFAOYSA-N -1 0 389.452 0.714 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CCN(CC(F)F)C1)C[C@@H]2C(=O)[O-] ZINC001263073369 969697265 /nfs/dbraw/zinc/69/72/65/969697265.db2.gz ZNEGHVZFRIYWIQ-GHUZCMCYSA-N -1 0 389.399 0.621 20 0 GCADRM CC(=O)Nc1nc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cs1 ZINC001326654501 969704207 /nfs/dbraw/zinc/70/42/07/969704207.db2.gz MYSOODVSXDCIJS-JTQLQIEISA-N -1 0 380.426 0.639 20 0 GCADRM CCn1c2ccc(NC(=O)CCC(=O)N[C@@H](C)CC(=O)[O-])nc2n(CC)c1=O ZINC001328389355 969709752 /nfs/dbraw/zinc/70/97/52/969709752.db2.gz YYTAITITWNFBCG-NSHDSACASA-N -1 0 391.428 0.936 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCN1CCSCC1)C[C@H]2C(=O)[O-] ZINC001332363269 969721953 /nfs/dbraw/zinc/72/19/53/969721953.db2.gz 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CO[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001574103880 969845769 /nfs/dbraw/zinc/84/57/69/969845769.db2.gz CVJHQHNBWILNFD-WDMOLILDSA-N -1 0 386.426 0.523 20 0 GCADRM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(C)c(N3CCOCC3)c2)CCO1 ZINC001593980990 970168479 /nfs/dbraw/zinc/16/84/79/970168479.db2.gz USXAFYDYNMYHPH-IBGZPJMESA-N -1 0 378.425 0.774 20 0 GCADRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000275164237 970315249 /nfs/dbraw/zinc/31/52/49/970315249.db2.gz UMYUXBGFDXBFAO-CYBMUJFWSA-N -1 0 399.450 0.135 20 0 GCADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000275164241 970315264 /nfs/dbraw/zinc/31/52/64/970315264.db2.gz UMYUXBGFDXBFAO-ZDUSSCGKSA-N -1 0 399.450 0.135 20 0 GCADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cn1C ZINC000287676660 970319435 /nfs/dbraw/zinc/31/94/35/970319435.db2.gz WHJOYPRCAKBPIM-GXFFZTMASA-N -1 0 386.426 0.645 20 0 GCADRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1c[nH]nc1I)C2 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386.430 0.077 20 0 GCADRM C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)CCS(=O)(=O)CC(=O)[O-] ZINC001610019110 970643114 /nfs/dbraw/zinc/64/31/14/970643114.db2.gz ZPPCOXKPHWFEJU-SNVBAGLBSA-N -1 0 388.423 0.712 20 0 GCADRM CC[C@H](OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)[O-] ZINC001610152060 970686065 /nfs/dbraw/zinc/68/60/65/970686065.db2.gz NINUYCJDSYJCCM-JFUSQASVSA-N -1 0 379.818 0.774 20 0 GCADRM Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000392851708 972534515 /nfs/dbraw/zinc/53/45/15/972534515.db2.gz QUKBVZLEQRBVEJ-LLVKDONJSA-N -1 0 376.456 0.348 20 0 GCADRM O=C([O-])[C@H]1CC(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)=NN1c1ccccc1 ZINC001605814756 972538157 /nfs/dbraw/zinc/53/81/57/972538157.db2.gz RFFGVTCDTVQMJX-CQSZACIVSA-N -1 0 399.407 0.992 20 0 GCADRM C[C@]1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CC(c2ccccc2Cl)=NO1 ZINC001603290892 972550089 /nfs/dbraw/zinc/55/00/89/972550089.db2.gz XSGJGWSLHHYQAY-QGZVFWFLSA-N -1 0 379.800 0.979 20 0 GCADRM 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CCn1c(=O)c2ccccc2n(CC(=O)NCC2(C(=O)[O-])CCOCC2)c1=O ZINC000843336870 979341016 /nfs/dbraw/zinc/34/10/16/979341016.db2.gz DPVMZTPMSFTNEE-UHFFFAOYSA-N -1 0 389.408 0.181 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC001592761507 979350495 /nfs/dbraw/zinc/35/04/95/979350495.db2.gz CPPFHQNLZZAXMG-ZUZCIYMTSA-N -1 0 388.467 0.036 20 0 GCADRM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001592771202 979385648 /nfs/dbraw/zinc/38/56/48/979385648.db2.gz BQGQNZIAFIEWCH-XPKDYRNWSA-N -1 0 376.409 0.507 20 0 GCADRM O=C([O-])[C@@H](CO)NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000844785673 979398645 /nfs/dbraw/zinc/39/86/45/979398645.db2.gz NYHUWIQMGOJCOI-UONOGXRCSA-N -1 0 386.426 0.010 20 0 GCADRM CCC(CC)C(=O)N1CCC(NC(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)CC1 ZINC001595101745 979411549 /nfs/dbraw/zinc/41/15/49/979411549.db2.gz BWXJJVCINLQKTA-CABCVRRESA-N -1 0 397.472 0.929 20 0 GCADRM C[C@@](O)(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C(=O)[O-] ZINC000846229229 979415290 /nfs/dbraw/zinc/41/52/90/979415290.db2.gz ZGWCEFUMFNQBHW-CQSZACIVSA-N -1 0 396.387 0.847 20 0 GCADRM CCN(CC)S(=O)(=O)N1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC000846234962 979416358 /nfs/dbraw/zinc/41/63/58/979416358.db2.gz NQBVDMCBFOEXKB-UHFFFAOYSA-N -1 0 385.486 0.968 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1)C(=O)[O-] ZINC001592799842 979455771 /nfs/dbraw/zinc/45/57/71/979455771.db2.gz GKMGAEHCEJXZDS-LLVKDONJSA-N -1 0 378.447 0.359 20 0 GCADRM C[C@H](CS(=O)(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)C(=O)[O-] ZINC001592806471 979469813 /nfs/dbraw/zinc/46/98/13/979469813.db2.gz HUZLAXYZHLFWEF-HZGVNTEJSA-N -1 0 392.231 0.347 20 0 GCADRM C[C@@H](CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)[O-] ZINC001592806995 979472591 /nfs/dbraw/zinc/47/25/91/979472591.db2.gz BPHDVSNXNSIFRX-RYUDHWBXSA-N -1 0 392.474 0.795 20 0 GCADRM CCC(CC)N(C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001595115995 979473240 /nfs/dbraw/zinc/47/32/40/979473240.db2.gz JRNWUSKTLNZGSL-IBGZPJMESA-N -1 0 381.473 0.554 20 0 GCADRM CCC(CC)N1C[C@H](C(=O)N2[C@@H](C)SC[C@@H]2C(=O)NCCC(=O)[O-])CC1=O ZINC001595117302 979482216 /nfs/dbraw/zinc/48/22/16/979482216.db2.gz XFFREHIHCHQAAD-YRGRVCCFSA-N -1 0 399.513 0.904 20 0 GCADRM CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1Cc1cnnn1C ZINC001595121198 979487399 /nfs/dbraw/zinc/48/73/99/979487399.db2.gz HOMIVWGPWDJTOU-LLVKDONJSA-N -1 0 390.448 0.284 20 0 GCADRM C[C@@H](CS(=O)(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001592810103 979492546 /nfs/dbraw/zinc/49/25/46/979492546.db2.gz VDAHDRJAZLGFOI-JTQLQIEISA-N -1 0 382.435 0.086 20 0 GCADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CCC(N3CCOC3=O)CC2)c(F)c1 ZINC000850798960 979501872 /nfs/dbraw/zinc/50/18/72/979501872.db2.gz KMDTWBYLUBMMNS-UHFFFAOYSA-N -1 0 379.344 0.906 20 0 GCADRM C[C@@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC001592815141 979507458 /nfs/dbraw/zinc/50/74/58/979507458.db2.gz CMXLNHRNEMZJKR-NSHDSACASA-N -1 0 382.438 0.676 20 0 GCADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592815894 979512519 /nfs/dbraw/zinc/51/25/19/979512519.db2.gz KJFLOFRYWYSJLH-SECBINFHSA-N -1 0 381.410 0.696 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1)Oc1cccc(F)c1 ZINC001595131053 979547250 /nfs/dbraw/zinc/54/72/50/979547250.db2.gz IUWAIIIMIVYJRF-SCLBCKFNSA-N -1 0 382.388 0.801 20 0 GCADRM CO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)OC)c2)[C@@H](C(=O)[O-])C1 ZINC000851621985 979553521 /nfs/dbraw/zinc/55/35/21/979553521.db2.gz FVEPGXPAPBXEAX-GXTWGEPZSA-N -1 0 386.426 0.573 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC001595133207 979560024 /nfs/dbraw/zinc/56/00/24/979560024.db2.gz HKHUDEIUVUFRSM-JTQLQIEISA-N -1 0 383.426 0.174 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC001595133209 979560031 /nfs/dbraw/zinc/56/00/31/979560031.db2.gz HKHUDEIUVUFRSM-SNVBAGLBSA-N -1 0 383.426 0.174 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC)C(=O)[O-] ZINC001595133878 979563202 /nfs/dbraw/zinc/56/32/02/979563202.db2.gz OLSYLLMWINLXIB-NSHDSACASA-N -1 0 377.397 0.735 20 0 GCADRM COC(=O)c1nc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1Cl ZINC000851683881 979564735 /nfs/dbraw/zinc/56/47/35/979564735.db2.gz QUJAEPFSXRADAH-INIZCTEOSA-N -1 0 383.788 0.461 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)C(=O)[O-] ZINC001595134398 979565231 /nfs/dbraw/zinc/56/52/31/979565231.db2.gz UJWPNTMCKCNWIB-LLVKDONJSA-N -1 0 377.397 0.988 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)C(=O)[O-] ZINC001595134551 979566769 /nfs/dbraw/zinc/56/67/69/979566769.db2.gz XKVHCDXLPRESSC-LLVKDONJSA-N -1 0 375.381 0.896 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C(=O)[O-] ZINC001595135028 979571138 /nfs/dbraw/zinc/57/11/38/979571138.db2.gz IKJPRSCKODOEMS-LLVKDONJSA-N -1 0 375.381 0.501 20 0 GCADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001592838057 979585087 /nfs/dbraw/zinc/58/50/87/979585087.db2.gz IBRJZVPJHAGMQM-QGZVFWFLSA-N -1 0 379.800 0.782 20 0 GCADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1 ZINC000852915158 979585666 /nfs/dbraw/zinc/58/56/66/979585666.db2.gz RRUCWRBKJWJYBQ-ZDUSSCGKSA-N -1 0 381.429 0.533 20 0 GCADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CC1 ZINC000852915497 979585671 /nfs/dbraw/zinc/58/56/71/979585671.db2.gz HGJCQPSPOZBFKP-UHFFFAOYSA-N -1 0 381.429 0.533 20 0 GCADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C1=NN(CCO)C(=O)CC1)C(=O)[O-] ZINC001592838161 979585812 /nfs/dbraw/zinc/58/58/12/979585812.db2.gz JPEVZWGHBAJMFN-QGZVFWFLSA-N -1 0 381.816 0.813 20 0 GCADRM COc1cc2c(cc1S(=O)(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(=O)NCCC2 ZINC000853068780 979598600 /nfs/dbraw/zinc/59/86/00/979598600.db2.gz DNIOOMOTGXGAHN-LBPRGKRZSA-N -1 0 380.422 0.823 20 0 GCADRM CC[C@@](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595144472 979608584 /nfs/dbraw/zinc/60/85/84/979608584.db2.gz OZWYSWDCPFGJBL-KRWDZBQOSA-N -1 0 394.453 0.247 20 0 GCADRM CC[C@@](CNC(=O)CNS(=O)(=O)c1cccnc1)(C(=O)[O-])c1ccccc1 ZINC001595144529 979609627 /nfs/dbraw/zinc/60/96/27/979609627.db2.gz RBLIHOWSGPDFAL-SFHVURJKSA-N -1 0 391.449 0.909 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)C(=O)[O-] ZINC001592846818 979622734 /nfs/dbraw/zinc/62/27/34/979622734.db2.gz CCFKTMBCTKNYKG-SJKOYZFVSA-N -1 0 391.359 0.341 20 0 GCADRM CC[C@](CNC(=O)NCCN1CCCS1(=O)=O)(C(=O)[O-])c1ccccc1 ZINC001595150519 979641747 /nfs/dbraw/zinc/64/17/47/979641747.db2.gz VESQADLGLQCQEU-QGZVFWFLSA-N -1 0 383.470 0.754 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H]2C)cc1)C(=O)[O-] ZINC001592853158 979642205 /nfs/dbraw/zinc/64/22/05/979642205.db2.gz KFPYSSAZBLHQDI-VXGBXAGGSA-N -1 0 382.438 0.534 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1)C(=O)[O-] ZINC001592853157 979642424 /nfs/dbraw/zinc/64/24/24/979642424.db2.gz KFPYSSAZBLHQDI-RYUDHWBXSA-N -1 0 382.438 0.534 20 0 GCADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cn1C 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AJXQQKXRRDJBDR-SECBINFHSA-N -1 0 384.863 0.644 20 0 GCADRM CC(C)C[C@H](NC(=O)CNC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)C(=O)[O-] ZINC000864138161 979741445 /nfs/dbraw/zinc/74/14/45/979741445.db2.gz XJXGLTHZJZQWCE-RNZFLTOJSA-N -1 0 386.426 0.428 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001595172558 979743672 /nfs/dbraw/zinc/74/36/72/979743672.db2.gz HVJYWJQNNOTIIM-LZGFCCKTSA-N -1 0 376.456 0.391 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001595172926 979747595 /nfs/dbraw/zinc/74/75/95/979747595.db2.gz VAMFBWGNOXCCBB-JTQLQIEISA-N -1 0 382.435 0.438 20 0 GCADRM C[C@@H](Cc1cccc(O)c1)NC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001592885991 979772477 /nfs/dbraw/zinc/77/24/77/979772477.db2.gz WWIBGCHWKQJWGG-LIRRHRJNSA-N -1 0 377.441 0.894 20 0 GCADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])c1 ZINC000864181226 979829079 /nfs/dbraw/zinc/82/90/79/979829079.db2.gz MIKZNDMWUJCVQG-QLJPJBMISA-N -1 0 388.417 0.828 20 0 GCADRM C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001592906083 979842276 /nfs/dbraw/zinc/84/22/76/979842276.db2.gz KKUGRVMPUDJAFY-ABAIWWIYSA-N -1 0 377.422 0.519 20 0 GCADRM CC[C@@](COC)(NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)[O-] ZINC001595188445 979859084 /nfs/dbraw/zinc/85/90/84/979859084.db2.gz ONJWHUCTQDCBEG-OALUTQOASA-N -1 0 389.408 0.376 20 0 GCADRM CC(=O)NCCNC(=O)CCC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864196200 979859754 /nfs/dbraw/zinc/85/97/54/979859754.db2.gz NNIUNKHYGOSBRR-SFHVURJKSA-N -1 0 397.859 0.875 20 0 GCADRM CC[C@@](COC)(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)OC ZINC001595189657 979877111 /nfs/dbraw/zinc/87/71/11/979877111.db2.gz SZXSKNBLBOBLSU-DIFFPNOSSA-N -1 0 390.433 0.829 20 0 GCADRM C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1 ZINC001592912887 979881979 /nfs/dbraw/zinc/88/19/79/979881979.db2.gz OOGIEEPZNJJZIB-GFCCVEGCSA-N -1 0 383.408 0.887 20 0 GCADRM CC[C@](COC)(NC(=O)c1nc(N(C)C)ncc1Br)C(=O)[O-] ZINC001595193024 979882658 /nfs/dbraw/zinc/88/26/58/979882658.db2.gz AGMVJURLSCFJBQ-CYBMUJFWSA-N -1 0 375.223 0.915 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC001592917708 979896319 /nfs/dbraw/zinc/89/63/19/979896319.db2.gz RQPPPNBOENUBBA-SFHVURJKSA-N -1 0 384.396 0.539 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000864212949 979899806 /nfs/dbraw/zinc/89/98/06/979899806.db2.gz WBFUKGIOTUSPPU-FVQBIDKESA-N -1 0 396.465 0.836 20 0 GCADRM CC[C@@](COC)(NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C(=O)[O-] ZINC001595194460 979900936 /nfs/dbraw/zinc/90/09/36/979900936.db2.gz GBMGTGIJUVUATB-KXBFYZLASA-N -1 0 378.425 0.582 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000864214661 979901673 /nfs/dbraw/zinc/90/16/73/979901673.db2.gz NSUPSNVIZQUJPT-MLGOLLRUSA-N -1 0 378.429 0.552 20 0 GCADRM CC[C@@](COC)(NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC001595195283 979912208 /nfs/dbraw/zinc/91/22/08/979912208.db2.gz ZRNVFIIJWJSFNS-KUHUBIRLSA-N -1 0 377.441 0.998 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@H](CS(C)(=O)=O)c1ccccc1)C(=O)[O-] ZINC001592919118 979914328 /nfs/dbraw/zinc/91/43/28/979914328.db2.gz XQELHPOEBLJEJA-PBHICJAKSA-N -1 0 379.438 0.671 20 0 GCADRM CC[C@](COC)(NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C(=O)[O-] ZINC001595195564 979914940 /nfs/dbraw/zinc/91/49/40/979914940.db2.gz SMCQQLKYMVRQSO-OAHLLOKOSA-N -1 0 382.808 0.724 20 0 GCADRM CC[C@@](COC)(NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC001595195683 979916020 /nfs/dbraw/zinc/91/60/20/979916020.db2.gz VXFSGZDVLUZBTD-QRWLVFNGSA-N -1 0 397.516 0.953 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001595198198 979924103 /nfs/dbraw/zinc/92/41/03/979924103.db2.gz CUJUJTOTPKPZOJ-AWEZNQCLSA-N -1 0 377.440 0.273 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)OC ZINC001595198581 979927734 /nfs/dbraw/zinc/92/77/34/979927734.db2.gz JOXTZFDWVARXLS-HNNXBMFYSA-N -1 0 375.399 0.397 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC001592923844 979927897 /nfs/dbraw/zinc/92/78/97/979927897.db2.gz FBIDJBITAPYZSQ-GOSISDBHSA-N -1 0 388.428 0.412 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(OC)cc1C(=O)OC)C(=O)[O-] ZINC001595198946 979932523 /nfs/dbraw/zinc/93/25/23/979932523.db2.gz RVHBWCRQIZWXJJ-HNNXBMFYSA-N -1 0 375.399 0.640 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)OC ZINC001595199199 979936761 /nfs/dbraw/zinc/93/67/61/979936761.db2.gz VYKSJTOEQCPTPR-HNNXBMFYSA-N -1 0 375.399 0.640 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1)C(=O)[O-] ZINC001592925799 979943578 /nfs/dbraw/zinc/94/35/78/979943578.db2.gz HMCJRLUPQRDQMB-JFGNBEQYSA-N -1 0 385.364 0.756 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC)C(=O)OC ZINC001595199833 979944469 /nfs/dbraw/zinc/94/44/69/979944469.db2.gz OBOQSJJXBNAHMD-MRXNPFEDSA-N -1 0 389.426 0.778 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(N)=O ZINC001592925977 979946300 /nfs/dbraw/zinc/94/63/00/979946300.db2.gz MPICWCFPGLECJA-AWEZNQCLSA-N -1 0 386.817 0.457 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC001592925966 979946634 /nfs/dbraw/zinc/94/66/34/979946634.db2.gz MGHQMYFZCAQLIG-LBPRGKRZSA-N -1 0 389.231 0.862 20 0 GCADRM COc1ccccc1[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCO1 ZINC000868341730 979951119 /nfs/dbraw/zinc/95/11/19/979951119.db2.gz DISDNVCVSRNVFY-BEFAXECRSA-N -1 0 376.409 0.918 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592929060 979953252 /nfs/dbraw/zinc/95/32/52/979953252.db2.gz ANQHHJZXLBURNF-SRVKXCTJSA-N -1 0 389.412 0.062 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001592929644 979959392 /nfs/dbraw/zinc/95/93/92/979959392.db2.gz LDYZZCWUYGDIGA-LLVKDONJSA-N -1 0 385.384 0.074 20 0 GCADRM CC[C@@H](CS(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)OC ZINC001595203378 979964146 /nfs/dbraw/zinc/96/41/46/979964146.db2.gz QVFQFYYQLRDVTO-ONGXEEELSA-N -1 0 376.456 0.896 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C(=O)[O-] ZINC001592930135 979965899 /nfs/dbraw/zinc/96/58/99/979965899.db2.gz HLNAUFAZAXZVES-HXPMCKFVSA-N -1 0 396.407 0.772 20 0 GCADRM C[C@@H](N1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1)C(F)(F)F ZINC001592969201 980099010 /nfs/dbraw/zinc/09/90/10/980099010.db2.gz RKBXEMKCMIJHBS-ZYHUDNBSSA-N -1 0 379.379 0.699 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001595230833 980099844 /nfs/dbraw/zinc/09/98/44/980099844.db2.gz OIJXCTWZNLEUIU-BDAKNGLRSA-N -1 0 380.323 0.459 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1)c1ncc(C(=O)[O-])s1 ZINC001592970652 980120138 /nfs/dbraw/zinc/12/01/38/980120138.db2.gz IKGXKBLJHTYZDU-IUCAKERBSA-N -1 0 382.398 0.072 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1)c1ccccc1 ZINC001592970682 980122702 /nfs/dbraw/zinc/12/27/02/980122702.db2.gz IVHNUAYCSVCQDW-KUHUBIRLSA-N -1 0 375.425 0.252 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCO[C@H](C(F)F)CC1)c1ncc(C(=O)[O-])s1 ZINC001592970771 980123548 /nfs/dbraw/zinc/12/35/48/980123548.db2.gz KLFJDNOQGREBHN-YUMQZZPRSA-N -1 0 377.369 0.901 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1)c1ncc(C(=O)[O-])s1 ZINC001592972186 980130046 /nfs/dbraw/zinc/13/00/46/980130046.db2.gz UWRJOUTUAWVOKC-UWVGGRQHSA-N -1 0 383.426 0.630 20 0 GCADRM CC[C@@H](NC(=O)[C@@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)N[C@@H](CC)C(=O)[O-])C(=O)OC ZINC001595236500 980135921 /nfs/dbraw/zinc/13/59/21/980135921.db2.gz FYDJSHBQTSAUIM-RGCYKPLRSA-N -1 0 384.429 0.265 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1nnnn1C1CC1 ZINC001592978541 980140934 /nfs/dbraw/zinc/14/09/34/980140934.db2.gz FGUFTRUFXPDUKX-CZIZLABSSA-N -1 0 376.417 0.289 20 0 GCADRM CC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)[O-] ZINC001595238064 980152347 /nfs/dbraw/zinc/15/23/47/980152347.db2.gz AHAGKHIGSNRGEW-GHMZBOCLSA-N -1 0 378.447 0.390 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001592980738 980152762 /nfs/dbraw/zinc/15/27/62/980152762.db2.gz ZCNLCAYZJUKFAH-KFKUIPHHSA-N -1 0 375.472 0.682 20 0 GCADRM C[C@H](NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCC2)c1ncc(C(=O)[O-])s1 ZINC001592981389 980157247 /nfs/dbraw/zinc/15/72/47/980157247.db2.gz RVSAFLMBCIDRCZ-YUMQZZPRSA-N -1 0 378.414 0.434 20 0 GCADRM C[C@@H](NC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC001592981470 980157975 /nfs/dbraw/zinc/15/79/75/980157975.db2.gz UGVJOBCOTXKZKH-VWYCJHECSA-N -1 0 384.458 0.244 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1nnnn1C ZINC001592986435 980162029 /nfs/dbraw/zinc/16/20/29/980162029.db2.gz BBVOREYOQTYDPO-SSDOTTSWSA-N -1 0 382.764 0.143 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](C)N1CCOCC1 ZINC001592986948 980164513 /nfs/dbraw/zinc/16/45/13/980164513.db2.gz JDJKEKXRHRDWTM-NXEZZACHSA-N -1 0 385.367 0.827 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC001592987023 980165481 /nfs/dbraw/zinc/16/54/81/980165481.db2.gz LHLRZSNXHSADQW-DANNLKNASA-N -1 0 375.425 0.649 20 0 GCADRM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cccc(S(N)(=O)=O)c1 ZINC001595242493 980166192 /nfs/dbraw/zinc/16/61/92/980166192.db2.gz IUYOKFOTDVHKML-UONOGXRCSA-N -1 0 397.453 0.225 20 0 GCADRM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1cccc(S(N)(=O)=O)c1 ZINC001595242491 980166223 /nfs/dbraw/zinc/16/62/23/980166223.db2.gz IUYOKFOTDVHKML-KBPBESRZSA-N -1 0 397.453 0.225 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H](C)N1CCOCC1 ZINC001592987284 980168596 /nfs/dbraw/zinc/16/85/96/980168596.db2.gz SDUJJCWJJRIOHB-UWVGGRQHSA-N -1 0 385.367 0.827 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1nnnn1C ZINC001592987396 980169191 /nfs/dbraw/zinc/16/91/91/980169191.db2.gz WQDIETOMWSBZEI-LURJTMIESA-N -1 0 384.299 0.326 20 0 GCADRM C[C@@](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)(C(=O)[O-])C1CC1 ZINC001592990196 980177021 /nfs/dbraw/zinc/17/70/21/980177021.db2.gz NIGJXEYFXPMGMV-PXAZEXFGSA-N -1 0 381.816 0.683 20 0 GCADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(=O)N1CCOCC1 ZINC001595264119 980270016 /nfs/dbraw/zinc/27/00/16/980270016.db2.gz VGSKBTUKWLTNAX-CQSZACIVSA-N -1 0 386.408 0.938 20 0 GCADRM O=C([O-])COc1ccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000901438503 980287349 /nfs/dbraw/zinc/28/73/49/980287349.db2.gz IYRTXZQOKBXNLO-QGZVFWFLSA-N -1 0 398.481 0.776 20 0 GCADRM C[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593027436 980291951 /nfs/dbraw/zinc/29/19/51/980291951.db2.gz BWLWULHBLGFQPB-MRVPVSSYSA-N -1 0 386.430 0.659 20 0 GCADRM C[C@H](NC(=O)CNC(=O)CN1C[C@H](C)O[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001593028152 980294420 /nfs/dbraw/zinc/29/44/20/980294420.db2.gz KONLDQNJIKJJKE-HUBLWGQQSA-N -1 0 381.404 0.293 20 0 GCADRM C[C@H](NC(=O)CNC(=O)Cn1nc(C(=O)[O-])nc1Cl)c1ccc(F)cc1 ZINC001593028207 980295209 /nfs/dbraw/zinc/29/52/09/980295209.db2.gz LJWCLCOFWDWMMY-QMMMGPOBSA-N -1 0 383.767 0.762 20 0 GCADRM C[C@H](NC(=O)CNC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-])c1ccc(F)cc1 ZINC001593028869 980297682 /nfs/dbraw/zinc/29/76/82/980297682.db2.gz ROZCYDPUWGRCEK-RCBQFDQVSA-N -1 0 395.431 0.731 20 0 GCADRM C[C@H](NC(=O)COC(=O)c1cccc(CC(=O)[O-])c1)C(=O)N1CCCCC1 ZINC001593029774 980302107 /nfs/dbraw/zinc/30/21/07/980302107.db2.gz FDZRJKGFCDUFBW-ZDUSSCGKSA-N -1 0 376.409 0.988 20 0 GCADRM C[C@H](NC(=O)COC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)N1CCCCC1 ZINC001593031038 980307418 /nfs/dbraw/zinc/30/74/18/980307418.db2.gz PPFJXFJRKYTQME-ZDUSSCGKSA-N -1 0 392.408 0.824 20 0 GCADRM C[C@@H](NC(=O)C[S@@](=O)Cc1cccc(C(=O)[O-])n1)C(=O)N1CCCCC1 ZINC001593036062 980312068 /nfs/dbraw/zinc/31/20/68/980312068.db2.gz GBXOTKRVNFNGDB-RYZVSIALSA-N -1 0 381.454 0.546 20 0 GCADRM C[C@H](NC(=O)CS(=O)(=O)c1ncccc1C(=O)[O-])C(=O)N1CCCCC1 ZINC001593036350 980313761 /nfs/dbraw/zinc/31/37/61/980313761.db2.gz MGXMONZDDHZNKK-NSHDSACASA-N -1 0 383.426 0.071 20 0 GCADRM CC[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001595279538 980320278 /nfs/dbraw/zinc/32/02/78/980320278.db2.gz RNWMTXCCYHQJRG-OLZOCXBDSA-N -1 0 383.445 0.681 20 0 GCADRM C[C@@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001593050568 980342334 /nfs/dbraw/zinc/34/23/34/980342334.db2.gz MZKGNBSYFZXXLN-QAPCUYQASA-N -1 0 399.447 0.952 20 0 GCADRM CC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595313135 980477267 /nfs/dbraw/zinc/47/72/67/980477267.db2.gz NLQFCIKUODYMQO-VIFPVBQESA-N -1 0 391.833 0.349 20 0 GCADRM CCC(O)(CC)CN(C)C(=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001595322989 980518909 /nfs/dbraw/zinc/51/89/09/980518909.db2.gz BODOLBMDELVVLI-UHFFFAOYSA-N -1 0 381.433 0.149 20 0 GCADRM CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001595323498 980524275 /nfs/dbraw/zinc/52/42/75/980524275.db2.gz VRALYAMOOIQPME-XHSDSOJGSA-N -1 0 384.440 0.844 20 0 GCADRM CC[C@@H](O)[C@H](C)c1nnc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1CCOC ZINC001595327857 980552195 /nfs/dbraw/zinc/55/21/95/980552195.db2.gz XWLOXHYEJWKDCD-UYAYXHRUSA-N -1 0 382.461 0.726 20 0 GCADRM CC[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[C@H](C)C(=O)[O-] ZINC001595352340 980667556 /nfs/dbraw/zinc/66/75/56/980667556.db2.gz XMCHJRKJVMATFZ-QWRGUYRKSA-N -1 0 375.399 0.957 20 0 GCADRM CC[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(=O)[O-] ZINC001595352427 980669201 /nfs/dbraw/zinc/66/92/01/980669201.db2.gz ZIEUFERHUHIREQ-OAHLLOKOSA-N -1 0 398.437 0.559 20 0 GCADRM CC[C@@]1(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC001595366095 980811259 /nfs/dbraw/zinc/81/12/59/980811259.db2.gz SBDJDSZBERVMLD-SJKOYZFVSA-N -1 0 381.433 0.885 20 0 GCADRM CC[C@]1(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC001595366094 980811437 /nfs/dbraw/zinc/81/14/37/980811437.db2.gz SBDJDSZBERVMLD-SJCJKPOMSA-N -1 0 381.433 0.885 20 0 GCADRM CC[C@]1(C)NC(=O)N(CC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)C1=O ZINC001595371395 980850793 /nfs/dbraw/zinc/85/07/93/980850793.db2.gz CJZCZMBCDJJTKA-SFHVURJKSA-N -1 0 377.397 0.829 20 0 GCADRM CC[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)C1=O ZINC001595371695 980853833 /nfs/dbraw/zinc/85/38/33/980853833.db2.gz KWBRPZGSBPXYRT-KJUHHORVSA-N -1 0 383.470 0.952 20 0 GCADRM CC[C@]1(C)NC(=O)N(CC(=O)N(C)[C@H](C(=O)[O-])c2cccc(OC)c2)C1=O ZINC001595371865 980855624 /nfs/dbraw/zinc/85/56/24/980855624.db2.gz QFLGTJHNSFPZDT-KSSFIOAISA-N -1 0 377.397 1.000 20 0 GCADRM O=C([O-])c1ccccc1CNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000902371097 980858079 /nfs/dbraw/zinc/85/80/79/980858079.db2.gz XFVNGMNFLIITKP-KRWDZBQOSA-N -1 0 389.452 0.714 20 0 GCADRM CCC1(CC)CN(C(=O)C(=O)Nc2cnn(CC(=O)[O-])c2C)CC[S@@]1=O ZINC001595375606 980897758 /nfs/dbraw/zinc/89/77/58/980897758.db2.gz SRYMUGGTJISVKV-SANMLTNESA-N -1 0 384.458 0.364 20 0 GCADRM CCC1(CC)CNC(=O)[C@H]1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC ZINC001595376028 980902242 /nfs/dbraw/zinc/90/22/42/980902242.db2.gz JCRWXPSYPFVLKE-CYBMUJFWSA-N -1 0 398.437 0.755 20 0 GCADRM CCC1(CC)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)[O-])C1=O ZINC001595376625 980907191 /nfs/dbraw/zinc/90/71/91/980907191.db2.gz FHIZDOHBSYQTRW-LBPRGKRZSA-N -1 0 377.397 0.615 20 0 GCADRM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2noc(CCCC(=O)[O-])n2)C1=O ZINC001595397161 980962923 /nfs/dbraw/zinc/96/29/23/980962923.db2.gz DKSAHEBYYPCIEI-MRXNPFEDSA-N -1 0 376.373 0.568 20 0 GCADRM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CC(=O)NC2(C(=O)[O-])CCCCC2)C1=O ZINC001595397292 980963838 /nfs/dbraw/zinc/96/38/38/980963838.db2.gz IUFDUPPCKSJXKG-SFHVURJKSA-N -1 0 391.428 0.481 20 0 GCADRM CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)C2(C(=O)[O-])CCC2)C1=O ZINC001595397465 980965805 /nfs/dbraw/zinc/96/58/05/980965805.db2.gz POXKVJPGFGJTHV-INIZCTEOSA-N -1 0 381.410 0.685 20 0 GCADRM O=C([O-])c1cccc2c1OCCN(S(=O)(=O)CCCN1CCOCC1)C2 ZINC000903516494 980966650 /nfs/dbraw/zinc/96/66/50/980966650.db2.gz QFJMAYXGBCNIRD-UHFFFAOYSA-N -1 0 384.454 0.631 20 0 GCADRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595401877 980977452 /nfs/dbraw/zinc/97/74/52/980977452.db2.gz QHVUVUMEPNVQNF-CYBMUJFWSA-N -1 0 377.397 0.801 20 0 GCADRM CC[C@H]1[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001595408655 981000823 /nfs/dbraw/zinc/00/08/23/981000823.db2.gz RWOWWTMAWFIDPD-HZMBPMFUSA-N -1 0 378.381 0.729 20 0 GCADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1)C2=O ZINC001595432095 981056082 /nfs/dbraw/zinc/05/60/82/981056082.db2.gz JVNDYRHZMRMVSI-IXVUQVCVSA-N -1 0 395.456 0.731 20 0 GCADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](OC)C[C@H]1C(=O)[O-])C2=O ZINC001595432759 981058809 /nfs/dbraw/zinc/05/88/09/981058809.db2.gz XTTNMZOAMCRMCD-SGJMOYSZSA-N -1 0 395.456 0.968 20 0 GCADRM CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-])C2=O ZINC001595432757 981058867 /nfs/dbraw/zinc/05/88/67/981058867.db2.gz XTTNMZOAMCRMCD-AWTNTWDUSA-N -1 0 395.456 0.968 20 0 GCADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)CC1 ZINC000904944021 981084909 /nfs/dbraw/zinc/08/49/09/981084909.db2.gz UNJOSXIINUSWKA-JKSUJKDBSA-N -1 0 382.457 0.744 20 0 GCADRM Cn1cc([C@H]2CSCCCN2C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000904943512 981085102 /nfs/dbraw/zinc/08/51/02/981085102.db2.gz PDFRDEHKVPIHKP-CXAGYDPISA-N -1 0 380.470 0.750 20 0 GCADRM Cn1cc([C@@H]2CSCCCN2C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000904943515 981085252 /nfs/dbraw/zinc/08/52/52/981085252.db2.gz PDFRDEHKVPIHKP-SUMWQHHRSA-N -1 0 380.470 0.750 20 0 GCADRM CC[C@@H]1CCCCCN1C(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001595448000 981096608 /nfs/dbraw/zinc/09/66/08/981096608.db2.gz KIUZHCMOXVPLCX-BEFAXECRSA-N -1 0 381.473 0.556 20 0 GCADRM CC[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@@]2(CCOC2)O1 ZINC001595470411 981168378 /nfs/dbraw/zinc/16/83/78/981168378.db2.gz HWUMPTOGBJQXPI-XTDOFWJNSA-N -1 0 380.441 0.352 20 0 GCADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCc2c1cnn2CCO ZINC000906874678 981173029 /nfs/dbraw/zinc/17/30/29/981173029.db2.gz CXVRXQIWQQOSLK-ZDUSSCGKSA-N -1 0 395.437 0.938 20 0 GCADRM C[C@H]1C[C@@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000906982574 981181139 /nfs/dbraw/zinc/18/11/39/981181139.db2.gz RJIIEFWFZRNPRU-UONOGXRCSA-N -1 0 384.454 0.634 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@@H](CC)O1 ZINC001595473706 981184098 /nfs/dbraw/zinc/18/40/98/981184098.db2.gz ZXLVIMFWYPUVAO-HCHPWLPISA-N -1 0 382.457 0.931 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@H](CC)O1 ZINC001595473708 981184122 /nfs/dbraw/zinc/18/41/22/981184122.db2.gz ZXLVIMFWYPUVAO-LVJNFOORSA-N -1 0 382.457 0.931 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@@H](CC)O1 ZINC001595473707 981184171 /nfs/dbraw/zinc/18/41/71/981184171.db2.gz ZXLVIMFWYPUVAO-LMMISXJQSA-N -1 0 382.457 0.931 20 0 GCADRM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C[C@H](C)S1(=O)=O ZINC001595474650 981187996 /nfs/dbraw/zinc/18/79/96/981187996.db2.gz GHMNYBACDJUWQQ-FZMZJTMJSA-N -1 0 397.453 0.930 20 0 GCADRM O=C([O-])[C@@]1(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000907723355 981211346 /nfs/dbraw/zinc/21/13/46/981211346.db2.gz FZJDHPXKSJBKPP-YJBOKZPZSA-N -1 0 378.450 0.881 20 0 GCADRM CC[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595500170 981270166 /nfs/dbraw/zinc/27/01/66/981270166.db2.gz JKUIEPCRWVKPIJ-SNVBAGLBSA-N -1 0 385.367 0.829 20 0 GCADRM CC[C@H]1COCCN1CCNS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001595500465 981272653 /nfs/dbraw/zinc/27/26/53/981272653.db2.gz MNABUAZBELNALC-AWEZNQCLSA-N -1 0 386.470 0.929 20 0 GCADRM CC[C@@H]1COCCN1CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001595501144 981275383 /nfs/dbraw/zinc/27/53/83/981275383.db2.gz WIZBAJWOSYNTCJ-LLVKDONJSA-N -1 0 390.433 0.922 20 0 GCADRM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001595506282 981287027 /nfs/dbraw/zinc/28/70/27/981287027.db2.gz VDZGJASTZPFYDG-KDDCRIGOSA-N -1 0 384.454 0.576 20 0 GCADRM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001595506283 981287036 /nfs/dbraw/zinc/28/70/36/981287036.db2.gz VDZGJASTZPFYDG-WVZIHWCRSA-N -1 0 384.454 0.576 20 0 GCADRM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C1 ZINC001595527999 981359944 /nfs/dbraw/zinc/35/99/44/981359944.db2.gz VVCUGWJQVBMZMV-KFWWJZLASA-N -1 0 381.473 0.711 20 0 GCADRM CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NC[C@H](O)CC(=O)[O-])c1 ZINC001595529571 981364843 /nfs/dbraw/zinc/36/48/43/981364843.db2.gz YXSNZLOPIWQYMD-SNVBAGLBSA-N -1 0 385.804 0.969 20 0 GCADRM CCC[C@@](C)(NC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C)C(=O)[O-] ZINC001595547754 981423147 /nfs/dbraw/zinc/42/31/47/981423147.db2.gz YRXSNMOFMXAKSE-QGZVFWFLSA-N -1 0 386.416 0.624 20 0 GCADRM CCC[C@H](C)N1C[C@H](C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC1=O ZINC001595579780 981510560 /nfs/dbraw/zinc/51/05/60/981510560.db2.gz WZNSONIEDCBQOK-KHYOSLBOSA-N -1 0 381.473 0.411 20 0 GCADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001594740934 981608025 /nfs/dbraw/zinc/60/80/25/981608025.db2.gz SZYQNKPHKCZUQL-AWEZNQCLSA-N -1 0 397.453 0.622 20 0 GCADRM CCC[C@H](O)CCNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001595609159 981618077 /nfs/dbraw/zinc/61/80/77/981618077.db2.gz PQWBASNVCDLLQQ-BTJONVMOSA-N -1 0 376.475 0.647 20 0 GCADRM CC[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC001594745849 981633931 /nfs/dbraw/zinc/63/39/31/981633931.db2.gz YCDRPQNDBIWERG-NSHDSACASA-N -1 0 376.381 0.909 20 0 GCADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001594763972 981703399 /nfs/dbraw/zinc/70/33/99/981703399.db2.gz BPCXPOROKWDATK-OAHLLOKOSA-N -1 0 392.408 0.429 20 0 GCADRM CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001595623030 981716462 /nfs/dbraw/zinc/71/64/62/981716462.db2.gz ABZLKXJNZWQEBE-CHWSQXEVSA-N -1 0 379.417 0.167 20 0 GCADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC001594788189 981833700 /nfs/dbraw/zinc/83/37/00/981833700.db2.gz UJRAXMDIVJCQGH-KRWDZBQOSA-N -1 0 395.437 0.870 20 0 GCADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC001594790137 981841121 /nfs/dbraw/zinc/84/11/21/981841121.db2.gz COHSDJJARSDPNO-IBGZPJMESA-N -1 0 388.424 0.738 20 0 GCADRM CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001595634115 981882829 /nfs/dbraw/zinc/88/28/29/981882829.db2.gz HHPWPXDSCMVMQO-PZROIBLQSA-N -1 0 387.477 0.164 20 0 GCADRM CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])n(C)c1 ZINC000910427332 981928286 /nfs/dbraw/zinc/92/82/86/981928286.db2.gz CRWORDXRNKFBQB-LBPRGKRZSA-N -1 0 393.412 0.990 20 0 GCADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001594817568 981956771 /nfs/dbraw/zinc/95/67/71/981956771.db2.gz QAQUAFCKMDBLSH-SCLBCKFNSA-N -1 0 381.404 0.488 20 0 GCADRM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000910590493 982006623 /nfs/dbraw/zinc/00/66/23/982006623.db2.gz MCTYAIIGKKKAJX-ROUUACIJSA-N -1 0 375.469 0.943 20 0 GCADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)C[C@@H]21 ZINC000910791530 982117370 /nfs/dbraw/zinc/11/73/70/982117370.db2.gz WSQZMOQEMUUTGF-FONWIUJUSA-N -1 0 378.425 0.757 20 0 GCADRM CC[C@@](C)(O)CNC(=O)C(=O)Nc1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC001594859485 982130142 /nfs/dbraw/zinc/13/01/42/982130142.db2.gz PWUAOEHORFIJGS-QGZVFWFLSA-N -1 0 384.385 0.626 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)C(F)(F)F ZINC001594884194 982260700 /nfs/dbraw/zinc/26/07/00/982260700.db2.gz KYVUOSIWFRMRKH-QEVYDEPDSA-N -1 0 379.335 0.912 20 0 GCADRM CCCCCC[C@@](O)(CN1CCS(=O)(=O)C[C@@H]1CC(=O)OC)C(=O)[O-] ZINC001595703246 982268403 /nfs/dbraw/zinc/26/84/03/982268403.db2.gz QVIHCPSHUCWHCY-XJKSGUPXSA-N -1 0 379.475 0.435 20 0 GCADRM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)C(=O)OC ZINC001594891764 982292241 /nfs/dbraw/zinc/29/22/41/982292241.db2.gz MLZBQWNSEFCBJU-SLEUVZQESA-N -1 0 381.433 0.317 20 0 GCADRM CC[C@@H](C)[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC001594893376 982304405 /nfs/dbraw/zinc/30/44/05/982304405.db2.gz HVHGOFAVKBKPDL-QAPCUYQASA-N -1 0 382.505 0.232 20 0 GCADRM CCCCCNC(=O)C1CCN(C(=O)C(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001595716661 982324178 /nfs/dbraw/zinc/32/41/78/982324178.db2.gz HTCKEUGNVRVGNI-HNNXBMFYSA-N -1 0 381.473 0.997 20 0 GCADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C(=O)[O-] ZINC001594895219 982330106 /nfs/dbraw/zinc/33/01/06/982330106.db2.gz BKUTVWPGMPBBJG-OUCADQQQSA-N -1 0 392.474 0.207 20 0 GCADRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000911315720 982336834 /nfs/dbraw/zinc/33/68/34/982336834.db2.gz CGKGQWFHNYEGPJ-CJNGLKHVSA-N -1 0 395.481 0.846 20 0 GCADRM 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ZINC001596739935 985040888 /nfs/dbraw/zinc/04/08/88/985040888.db2.gz ZOBCLKZOXYHQIN-KRWDZBQOSA-N -1 0 379.369 0.255 20 0 GCADRM C[C@@H](CN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001589028520 985050595 /nfs/dbraw/zinc/05/05/95/985050595.db2.gz HUMMVNGZGZCQRN-JSGCOSHPSA-N -1 0 379.413 0.726 20 0 GCADRM CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])cc2)c1C ZINC001596740680 985051900 /nfs/dbraw/zinc/05/19/00/985051900.db2.gz WAVXGEQFQKMORC-SFHVURJKSA-N -1 0 375.381 0.923 20 0 GCADRM CCOC(=O)c1cnn(C)c1C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001596740713 985053522 /nfs/dbraw/zinc/05/35/22/985053522.db2.gz YOLPMXOMGNHZRT-UHFFFAOYSA-N -1 0 381.385 0.657 20 0 GCADRM CCOC(=O)c1cnn2c1nccc2C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC001596745089 985063215 /nfs/dbraw/zinc/06/32/15/985063215.db2.gz YXYGBQFMBWHGOL-JTQLQIEISA-N -1 0 378.410 0.938 20 0 GCADRM C[C@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[C@H]1C(=O)[O-] ZINC001599916815 985069440 /nfs/dbraw/zinc/06/94/40/985069440.db2.gz 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COC(=O)[C@H]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)[C@@H](C(=O)[O-])C1 ZINC001598795338 996106341 /nfs/dbraw/zinc/10/63/41/996106341.db2.gz OGDRGBMDIBQGMK-GXTWGEPZSA-N -1 0 388.376 0.818 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC001598798265 996122857 /nfs/dbraw/zinc/12/28/57/996122857.db2.gz IESPDGJRMWLDHJ-JSGCOSHPSA-N -1 0 398.437 0.415 20 0 GCADRM COC(=O)C1CCN(CCS(=O)(=O)CCN2CCC(C(=O)[O-])CC2)CC1 ZINC001598798560 996124670 /nfs/dbraw/zinc/12/46/70/996124670.db2.gz FHONIFCNSZWMCY-UHFFFAOYSA-N -1 0 390.502 0.083 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CC[C@H](C3CC3)O2)[C@@H](C(=O)[O-])C1 ZINC001598799404 996128532 /nfs/dbraw/zinc/12/85/32/996128532.db2.gz NIPRLXHYHNWHRL-XJFOESAGSA-N -1 0 375.443 0.612 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H](C(=O)[O-])C1 ZINC001598799399 996128618 /nfs/dbraw/zinc/12/86/18/996128618.db2.gz NIPRLXHYHNWHRL-RQJABVFESA-N -1 0 375.443 0.612 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCc2ccc(OC)cc2)[C@H](C(=O)[O-])C1 ZINC001598799942 996131590 /nfs/dbraw/zinc/13/15/90/996131590.db2.gz QLHORUHBRADLSN-HIFRSBDPSA-N -1 0 385.438 0.906 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCc2ccc(OC)cc2)[C@@H](C(=O)[O-])C1 ZINC001598799944 996131761 /nfs/dbraw/zinc/13/17/61/996131761.db2.gz QLHORUHBRADLSN-UKRRQHHQSA-N -1 0 385.438 0.906 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)[C@H](C(=O)[O-])C1 ZINC001598800294 996134030 /nfs/dbraw/zinc/13/40/30/996134030.db2.gz SOKUWTVVHJFXOB-WPRPVWTQSA-N -1 0 385.423 0.718 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cn(C)nc2C(C)(C)C)[C@H](C(=O)[O-])C1 ZINC001598800496 996135724 /nfs/dbraw/zinc/13/57/24/996135724.db2.gz UPGAUMKFFXNHAY-QWRGUYRKSA-N -1 0 387.458 0.745 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H](OC)C2CCCC2)[C@H](C(=O)[O-])C1 ZINC001598800886 996137084 /nfs/dbraw/zinc/13/70/84/996137084.db2.gz ANPZPMKEKCJGAD-HZSPNIEDSA-N -1 0 377.459 0.860 20 0 GCADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001593691074 996137544 /nfs/dbraw/zinc/13/75/44/996137544.db2.gz YPKDQWORFGDVKW-JTQLQIEISA-N -1 0 379.460 0.629 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@@H](C(=O)OC)C1 ZINC001598801375 996141160 /nfs/dbraw/zinc/14/11/60/996141160.db2.gz YIAXZIOOHCQUNA-DGCLKSJQSA-N -1 0 385.394 0.500 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCO1 ZINC001598801963 996146010 /nfs/dbraw/zinc/14/60/10/996146010.db2.gz ASNKVNMOODQXAL-FZMZJTMJSA-N -1 0 378.381 0.289 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Cc3cccs3)C2)C[C@@H]1C(=O)[O-] ZINC001598802273 996148942 /nfs/dbraw/zinc/14/89/42/996148942.db2.gz CDUXXGQXMATETR-QWHCGFSZSA-N -1 0 380.422 0.081 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC001598802227 996149108 /nfs/dbraw/zinc/14/91/08/996149108.db2.gz BMXYLBWDPONDJH-NEPJUHHUSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2csc(CS(C)(=O)=O)n2)[C@H](C(=O)[O-])C1 ZINC001598803058 996158349 /nfs/dbraw/zinc/15/83/49/996158349.db2.gz JOKZJSRTESCDRD-KOLCDFICSA-N -1 0 376.456 0.526 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2C)C[C@@H]1C(=O)[O-] ZINC001598803192 996158804 /nfs/dbraw/zinc/15/88/04/996158804.db2.gz JMHFPOBJKKWVLS-GJZGRUSLSA-N -1 0 376.409 0.328 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001593700173 996174980 /nfs/dbraw/zinc/17/49/80/996174980.db2.gz XOEKPPCOVRMHJA-VIFPVBQESA-N -1 0 381.414 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)C[C@@H]1C(=O)[O-] ZINC001598805375 996181213 /nfs/dbraw/zinc/18/12/13/996181213.db2.gz DEERBWYUWXMIOD-STQMWFEESA-N -1 0 391.355 0.641 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2CCC(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001598805775 996184731 /nfs/dbraw/zinc/18/47/31/996184731.db2.gz ANXSBNCYDJMSLI-TYUFSLCMSA-N -1 0 390.458 0.105 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCc2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598806088 996188430 /nfs/dbraw/zinc/18/84/30/996188430.db2.gz BJUHINWNWPEQAM-UONOGXRCSA-N -1 0 392.408 0.906 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598806162 996189042 /nfs/dbraw/zinc/18/90/42/996189042.db2.gz BVPCNQGYOWBYNW-CHWSQXEVSA-N -1 0 380.397 0.762 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001598806245 996189344 /nfs/dbraw/zinc/18/93/44/996189344.db2.gz CJGVVMPQHOCUHN-ZIAGYGMSSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598806482 996191723 /nfs/dbraw/zinc/19/17/23/996191723.db2.gz GHRNSCUKKRWWRW-JHJVBQTASA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCN2CCCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598806489 996192322 /nfs/dbraw/zinc/19/23/22/996192322.db2.gz DEAKNQGUSDWJED-CABCVRRESA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C[C@@H]1C(=O)[O-] ZINC001598806935 996195962 /nfs/dbraw/zinc/19/59/62/996195962.db2.gz JBIYKLXIYRJZLZ-IGJMFERPSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806969 996196433 /nfs/dbraw/zinc/19/64/33/996196433.db2.gz JSQQPQLZUJXHFX-LZWOXQAQSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)C[C@@H]1C(=O)[O-] ZINC001598807378 996199734 /nfs/dbraw/zinc/19/97/34/996199734.db2.gz MEAXJTVCASZDFJ-SQWLQELKSA-N -1 0 387.392 0.543 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)C[C@H]1C(=O)[O-] ZINC001598807513 996200907 /nfs/dbraw/zinc/20/09/07/996200907.db2.gz BDDQRGRDJRNGFC-VXUPGSCNSA-N -1 0 399.469 0.044 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)C[C@H]1C(=O)[O-] ZINC001598807594 996201550 /nfs/dbraw/zinc/20/15/50/996201550.db2.gz BNJRIPPJGLYMCD-KFWWJZLASA-N -1 0 389.408 0.475 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC001598807837 996203922 /nfs/dbraw/zinc/20/39/22/996203922.db2.gz BVCCPHJCZJNHAB-VXGBXAGGSA-N -1 0 375.381 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc3c([nH]c2=O)CCCC3)C[C@H]1C(=O)[O-] ZINC001598808050 996205721 /nfs/dbraw/zinc/20/57/21/996205721.db2.gz KPPBOZCZNOIWCU-CHWSQXEVSA-N -1 0 377.397 0.681 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598808152 996206151 /nfs/dbraw/zinc/20/61/51/996206151.db2.gz OCCNXNMHMNXSFA-IVZWLZJFSA-N -1 0 396.318 0.482 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598808343 996208122 /nfs/dbraw/zinc/20/81/22/996208122.db2.gz NACJEYKHACPFDJ-CHWSQXEVSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)C[C@H]1C(=O)[O-] ZINC001598808680 996211410 /nfs/dbraw/zinc/21/14/10/996211410.db2.gz NVUMSBCQQMEQAV-CVEARBPZSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC001598809258 996216209 /nfs/dbraw/zinc/21/62/09/996216209.db2.gz HCDKHBLBQNPUJB-QWRGUYRKSA-N -1 0 396.783 0.398 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2ccc(CCC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809241 996216268 /nfs/dbraw/zinc/21/62/68/996216268.db2.gz HCAJLJJARKTRBF-HOTGVXAUSA-N -1 0 377.393 0.919 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C[C@H]1C(=O)[O-] ZINC001598810133 996224178 /nfs/dbraw/zinc/22/41/78/996224178.db2.gz RYZZDJMZGXXCCA-CHWSQXEVSA-N -1 0 388.380 0.794 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598810312 996225548 /nfs/dbraw/zinc/22/55/48/996225548.db2.gz WBEBMHSQRJRTSY-YUSALJHKSA-N -1 0 396.346 0.650 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598810320 996225841 /nfs/dbraw/zinc/22/58/41/996225841.db2.gz SXBONOLIAVRQIM-MCIONIFRSA-N -1 0 375.381 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598810499 996227357 /nfs/dbraw/zinc/22/73/57/996227357.db2.gz LJEFRJJKQQCGRP-QWHCGFSZSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H]2COc3ccccc3O2)C[C@@H]1C(=O)[O-] ZINC001598810644 996228704 /nfs/dbraw/zinc/22/87/04/996228704.db2.gz UVQDHNHFTMAVGK-RWMBFGLXSA-N -1 0 378.381 0.732 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C[C@@H]1C(=O)[O-] ZINC001598810735 996229181 /nfs/dbraw/zinc/22/91/81/996229181.db2.gz VCXMGTPUMARANV-SDDRHHMPSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)C[C@@H]1C(=O)[O-] ZINC001598810740 996229188 /nfs/dbraw/zinc/22/91/88/996229188.db2.gz VFSRKRNMLSICKF-GRYCIOLGSA-N -1 0 384.335 0.784 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C[C@H]1C(=O)[O-] ZINC001598810734 996229321 /nfs/dbraw/zinc/22/93/21/996229321.db2.gz VCXMGTPUMARANV-QJPTWQEYSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C[C@H]1C(=O)[O-] ZINC001598811116 996232563 /nfs/dbraw/zinc/23/25/63/996232563.db2.gz WMGGMGGJRNMUHM-ZJUUUORDSA-N -1 0 381.335 0.955 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C[C@H]1C(=O)[O-] ZINC001598811113 996232807 /nfs/dbraw/zinc/23/28/07/996232807.db2.gz WMGGMGGJRNMUHM-NXEZZACHSA-N -1 0 381.335 0.955 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)C[C@H]1C(=O)[O-] ZINC001598811223 996233316 /nfs/dbraw/zinc/23/33/16/996233316.db2.gz ACHNRNPOEHEEJP-CHWSQXEVSA-N -1 0 390.396 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001598811270 996233640 /nfs/dbraw/zinc/23/36/40/996233640.db2.gz APOOYZRGKWMCBT-TUAOUCFPSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2cccc(N3CCCC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598811378 996234372 /nfs/dbraw/zinc/23/43/72/996234372.db2.gz NRESWMKATQIZIW-LSDHHAIUSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2cccc(N3CCCC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598811367 996234501 /nfs/dbraw/zinc/23/45/01/996234501.db2.gz NRESWMKATQIZIW-CABCVRRESA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2cccc(N3CCCC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598811375 996234554 /nfs/dbraw/zinc/23/45/54/996234554.db2.gz NRESWMKATQIZIW-HUUCEWRRSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccc(NC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598811518 996235501 /nfs/dbraw/zinc/23/55/01/996235501.db2.gz XFSICNIOXYCULL-CABCVRRESA-N -1 0 377.397 0.703 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccccc2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598811497 996235628 /nfs/dbraw/zinc/23/56/28/996235628.db2.gz XAJCMSVCTYQMQB-STQMWFEESA-N -1 0 398.437 0.148 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C[C@@H]1C(=O)OC ZINC001598811592 996236117 /nfs/dbraw/zinc/23/61/17/996236117.db2.gz ATXZGFVZYZULKL-QWRGUYRKSA-N -1 0 390.352 0.687 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598811684 996237357 /nfs/dbraw/zinc/23/73/57/996237357.db2.gz BHXUFWKIMHWLOB-NWDGAFQWSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598811817 996238193 /nfs/dbraw/zinc/23/81/93/996238193.db2.gz ZVFYGGQMYZHLCA-CHWSQXEVSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C[C@@H]1C(=O)[O-] ZINC001598811870 996238243 /nfs/dbraw/zinc/23/82/43/996238243.db2.gz ZZCNVQJKJNWVLI-UONOGXRCSA-N -1 0 381.429 0.246 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccc(NC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598811863 996238248 /nfs/dbraw/zinc/23/82/48/996238248.db2.gz XFSICNIOXYCULL-GJZGRUSLSA-N -1 0 377.397 0.703 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598812267 996241947 /nfs/dbraw/zinc/24/19/47/996241947.db2.gz ZQLUMEVUMKDMIH-IJLUTSLNSA-N -1 0 387.433 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)C[C@@H]1C(=O)[O-] ZINC001598812515 996244165 /nfs/dbraw/zinc/24/41/65/996244165.db2.gz QHNSRNLUBSXBRW-QWRGUYRKSA-N -1 0 386.401 0.002 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C(=O)[O-] ZINC001598812546 996244178 /nfs/dbraw/zinc/24/41/78/996244178.db2.gz QOCCVUDPVIPCQM-NWDGAFQWSA-N -1 0 380.363 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598812665 996244986 /nfs/dbraw/zinc/24/49/86/996244986.db2.gz DAJULTOWJCLMQN-PJSNJIKXSA-N -1 0 382.413 0.574 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598813066 996247971 /nfs/dbraw/zinc/24/79/71/996247971.db2.gz RZKDPPHPCAMOLU-NEPJUHHUSA-N -1 0 388.380 0.015 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598813197 996248614 /nfs/dbraw/zinc/24/86/14/996248614.db2.gz FPFCKMHXOVSPSU-CHWSQXEVSA-N -1 0 376.369 0.554 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H]1C(=O)[O-] ZINC001598813206 996248893 /nfs/dbraw/zinc/24/88/93/996248893.db2.gz TZWJNZUDMWOEFJ-QWHCGFSZSA-N -1 0 387.392 0.620 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccccc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598813326 996249774 /nfs/dbraw/zinc/24/97/74/996249774.db2.gz UOOAKVOCBRLRIT-HOTGVXAUSA-N -1 0 390.436 0.788 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NCCC(=O)[O-] ZINC001598813577 996251183 /nfs/dbraw/zinc/25/11/83/996251183.db2.gz HOTHCIILZROLKZ-GFCCVEGCSA-N -1 0 387.433 0.062 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C(=O)[O-] ZINC001598813634 996251186 /nfs/dbraw/zinc/25/11/86/996251186.db2.gz VYCLKBQVKBCQQK-STQMWFEESA-N -1 0 395.408 0.977 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C[C@H]1C(=O)[O-] ZINC001598814006 996253777 /nfs/dbraw/zinc/25/37/77/996253777.db2.gz BCDLLGPOHCRJNY-HUUCEWRRSA-N -1 0 391.380 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@H]1C(=O)[O-] ZINC001598814268 996256396 /nfs/dbraw/zinc/25/63/96/996256396.db2.gz KAPKBBLAPCZMHA-CHWSQXEVSA-N -1 0 376.340 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2C)C[C@@H]1C(=O)[O-] ZINC001598814261 996256547 /nfs/dbraw/zinc/25/65/47/996256547.db2.gz JZOLWOVRZFSWJQ-NWDGAFQWSA-N -1 0 390.396 0.862 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)C[C@@H]1C(=O)[O-] ZINC001598815184 996264432 /nfs/dbraw/zinc/26/44/32/996264432.db2.gz LNSAFIFKAHNHBL-JGVFFNPUSA-N -1 0 376.291 0.511 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC001598815238 996264919 /nfs/dbraw/zinc/26/49/19/996264919.db2.gz GJOAPFDHKDDSMJ-NEPJUHHUSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598815481 996266881 /nfs/dbraw/zinc/26/68/81/996266881.db2.gz MTGRIPBMVJUEBB-CHWSQXEVSA-N -1 0 380.353 0.576 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598815523 996267602 /nfs/dbraw/zinc/26/76/02/996267602.db2.gz NFWBNMTZCBERGR-QWHCGFSZSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001598815914 996269837 /nfs/dbraw/zinc/26/98/37/996269837.db2.gz OYTPEABGPFGMIC-KBPBESRZSA-N -1 0 394.380 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598815874 996269886 /nfs/dbraw/zinc/26/98/86/996269886.db2.gz PWOFBRSVRKLXSU-KGLIPLIRSA-N -1 0 391.380 0.976 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C[C@H]1C(=O)[O-] ZINC001598816098 996272206 /nfs/dbraw/zinc/27/22/06/996272206.db2.gz AORHWWUTPWATQY-ZIAGYGMSSA-N -1 0 390.371 0.720 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598817083 996281973 /nfs/dbraw/zinc/28/19/73/996281973.db2.gz VCIGVJNGWVGPDP-NWDGAFQWSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598817197 996283228 /nfs/dbraw/zinc/28/32/28/996283228.db2.gz TUESUFCOFNVUIA-OLZOCXBDSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ncc(Br)s2)C[C@@H]1C(=O)[O-] ZINC001598817991 996291610 /nfs/dbraw/zinc/29/16/10/996291610.db2.gz XDKPYTMLJNHVHH-BQBZGAKWSA-N -1 0 392.231 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C(=O)[O-] ZINC001598818475 996297517 /nfs/dbraw/zinc/29/75/17/996297517.db2.gz QSUHSOLHFPAFPJ-KGLIPLIRSA-N -1 0 381.406 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598818634 996298629 /nfs/dbraw/zinc/29/86/29/996298629.db2.gz YUQCEJRLQXVDFF-CABCVRRESA-N -1 0 391.424 0.538 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598818912 996302029 /nfs/dbraw/zinc/30/20/29/996302029.db2.gz MRRVEMJCFNLLMW-KBPBESRZSA-N -1 0 387.392 0.923 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001598818914 996302381 /nfs/dbraw/zinc/30/23/81/996302381.db2.gz MRRVEMJCFNLLMW-KGLIPLIRSA-N -1 0 387.392 0.923 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598819096 996304492 /nfs/dbraw/zinc/30/44/92/996304492.db2.gz ZMIQICJPKYIXDQ-RYUDHWBXSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598819138 996304892 /nfs/dbraw/zinc/30/48/92/996304892.db2.gz ZRMJHADZZHDMRY-WRWGMCAJSA-N -1 0 385.417 0.557 20 0 GCADRM COC(=O)[C@@H]1CN([C@H](C)c2nc(C)cc(N3CCO[C@H](C(=O)[O-])C3)n2)CCO1 ZINC001598819895 996313547 /nfs/dbraw/zinc/31/35/47/996313547.db2.gz QKKJCRDPSUEFDY-RDBSUJKOSA-N -1 0 394.428 0.010 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@@H]1C(=O)[O-] ZINC001598819951 996313852 /nfs/dbraw/zinc/31/38/52/996313852.db2.gz VOZYDCDOHZZQCF-DTWKUNHWSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1C(=O)[O-] ZINC001598820236 996317024 /nfs/dbraw/zinc/31/70/24/996317024.db2.gz SMUIXPONRZCBPC-HTQZYQBOSA-N -1 0 386.202 0.538 20 0 GCADRM C[C@@H](c1ncc(Br)cn1)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001593734440 996324624 /nfs/dbraw/zinc/32/46/24/996324624.db2.gz VSJCZPLVTYYIQW-WCBMZHEXSA-N -1 0 378.248 0.874 20 0 GCADRM COC(=O)[C@H]1CN(CN2C(=O)C(=O)c3c2c(F)ccc3Cl)C[C@H]1C(=O)[O-] ZINC001598821721 996335716 /nfs/dbraw/zinc/33/57/16/996335716.db2.gz LXAIYBALNFVAMC-SFYZADRCSA-N -1 0 384.747 0.772 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2coc3c2C(=O)NCC(C)(C)C3)C[C@H]1C(=O)[O-] ZINC001598821768 996335917 /nfs/dbraw/zinc/33/59/17/996335917.db2.gz LXXUFMAQDFJQKJ-NXEZZACHSA-N -1 0 378.381 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](Cc2ccccc2)OC)C[C@H]1C(=O)[O-] ZINC001598822959 996350154 /nfs/dbraw/zinc/35/01/54/996350154.db2.gz ANYNHSJRDRBLIN-RRFJBIMHSA-N -1 0 385.438 0.380 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@H]1C(=O)[O-] ZINC001598823368 996354747 /nfs/dbraw/zinc/35/47/47/996354747.db2.gz CFAMJGPEBDWYSN-OLZOCXBDSA-N -1 0 394.405 0.331 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)C[C@@H]1C(=O)[O-] ZINC001598823455 996356091 /nfs/dbraw/zinc/35/60/91/996356091.db2.gz CTPKKKUIWZSENK-FZKCQIBNSA-N -1 0 397.449 0.824 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)C[C@H]1C(=O)[O-] ZINC001598823943 996360862 /nfs/dbraw/zinc/36/08/62/996360862.db2.gz DWHWUTLPKGGLDI-NXEZZACHSA-N -1 0 377.802 0.843 20 0 GCADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001598824415 996366492 /nfs/dbraw/zinc/36/64/92/996366492.db2.gz HKBBHROIOSDKBB-GFCCVEGCSA-N -1 0 389.451 0.601 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001598824911 996372200 /nfs/dbraw/zinc/37/22/00/996372200.db2.gz IRTYHBGZUZPXLO-STQMWFEESA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001598825483 996377312 /nfs/dbraw/zinc/37/73/12/996377312.db2.gz NUENFZWEFPDBOB-SNVBAGLBSA-N -1 0 377.346 0.095 20 0 GCADRM C[C@]1(C(=O)NC[C@H](O)CC(=O)[O-])C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC001593749703 996390015 /nfs/dbraw/zinc/39/00/15/996390015.db2.gz SSTJBYCAZMOWEW-QWQRMKEZSA-N -1 0 380.397 0.100 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC001598826703 996390566 /nfs/dbraw/zinc/39/05/66/996390566.db2.gz ONGVIIYVSTYJPE-ZDUSSCGKSA-N -1 0 384.341 0.981 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@H]1C(=O)[O-] ZINC001598827230 996395970 /nfs/dbraw/zinc/39/59/70/996395970.db2.gz LSPFCRDCOJOGMS-NEPJUHHUSA-N -1 0 380.378 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC001598828744 996413064 /nfs/dbraw/zinc/41/30/64/996413064.db2.gz XMUXWDKESHBBIE-DTWKUNHWSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C(C)(C)c3nccs3)n2C)C[C@H]1C(=O)[O-] ZINC001598828779 996413175 /nfs/dbraw/zinc/41/31/75/996413175.db2.gz SJZWDFBLODXGFD-NXEZZACHSA-N -1 0 379.442 0.908 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)C1 ZINC001593761405 996421238 /nfs/dbraw/zinc/42/12/38/996421238.db2.gz ACRQXGPZZIDNHR-RBUKOAKNSA-N -1 0 378.400 0.959 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)C1 ZINC001593761403 996421340 /nfs/dbraw/zinc/42/13/40/996421340.db2.gz ACRQXGPZZIDNHR-MOPGFXCFSA-N -1 0 378.400 0.959 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C(=O)[O-] ZINC001598830024 996426320 /nfs/dbraw/zinc/42/63/20/996426320.db2.gz WUNPKJUMFRKFGW-IUCAKERBSA-N -1 0 394.352 0.220 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC001593762637 996432467 /nfs/dbraw/zinc/43/24/67/996432467.db2.gz PTKUXVUTRFKGSO-BEFAXECRSA-N -1 0 381.473 0.413 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001593762788 996433942 /nfs/dbraw/zinc/43/39/42/996433942.db2.gz 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ZINC001599271908 998556094 /nfs/dbraw/zinc/55/60/94/998556094.db2.gz REQRYNRPSVTPGF-OAHLLOKOSA-N -1 0 386.408 0.897 20 0 GCADRM COCCn1cc(N2C[C@@H](C(=O)NC[C@H](CC(=O)[O-])C3CC3)CC2=O)cn1 ZINC001599271947 998556172 /nfs/dbraw/zinc/55/61/72/998556172.db2.gz RTUJRPAJTKJOKO-KBPBESRZSA-N -1 0 378.429 0.500 20 0 GCADRM COCCn1cc(NC(=O)C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cn1 ZINC001599271889 998556314 /nfs/dbraw/zinc/55/63/14/998556314.db2.gz QUWCHJFFINCOFN-UHFFFAOYSA-N -1 0 381.776 0.531 20 0 GCADRM COCCn1cc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)CC2=O)cn1 ZINC001599272062 998557727 /nfs/dbraw/zinc/55/77/27/998557727.db2.gz UCJPIYHHAFRDJS-IPYPFGDCSA-N -1 0 378.429 0.452 20 0 GCADRM COC[C@H](NC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C(=O)[O-] ZINC001599168135 998572543 /nfs/dbraw/zinc/57/25/43/998572543.db2.gz ZRKFBPXTRLLBDI-YPMHNXCESA-N -1 0 384.816 0.783 20 0 GCADRM COC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC001599168496 998577789 /nfs/dbraw/zinc/57/77/89/998577789.db2.gz 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COC(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001598984469 998687911 /nfs/dbraw/zinc/68/79/11/998687911.db2.gz MWOLCIGWFZITRM-ZDUSSCGKSA-N -1 0 394.405 0.851 20 0 GCADRM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001594179742 998696146 /nfs/dbraw/zinc/69/61/46/998696146.db2.gz PCCQHFICJMMQCB-YUMQZZPRSA-N -1 0 383.394 0.859 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cn1 ZINC001598986135 998697868 /nfs/dbraw/zinc/69/78/68/998697868.db2.gz DKGFUINEDIAQQJ-QGZVFWFLSA-N -1 0 398.437 0.639 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1F ZINC001598986217 998698379 /nfs/dbraw/zinc/69/83/79/998698379.db2.gz HLJRSKKQBVJXEB-NSHDSACASA-N -1 0 388.417 0.782 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC(OC(C)=O)CC2)cc1C(=O)[O-] ZINC001598986201 998698410 /nfs/dbraw/zinc/69/84/10/998698410.db2.gz GWXCMTFCORWQKG-UHFFFAOYSA-N -1 0 385.394 0.888 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C)c1 ZINC001598986347 998699367 /nfs/dbraw/zinc/69/93/67/998699367.db2.gz MMYGAGPYBDCSIP-GFCCVEGCSA-N -1 0 394.409 0.707 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(CC(F)F)CC2)cc1C(=O)[O-] ZINC001598986462 998700094 /nfs/dbraw/zinc/70/00/94/998700094.db2.gz NWDASGUHFXTXJA-UHFFFAOYSA-N -1 0 392.380 0.743 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1C ZINC001598986485 998700613 /nfs/dbraw/zinc/70/06/13/998700613.db2.gz OJYDWQIUTOTRQU-ZDUSSCGKSA-N -1 0 384.454 0.951 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cc1C(=O)[O-] ZINC001598986583 998700878 /nfs/dbraw/zinc/70/08/78/998700878.db2.gz DCYXFHXONMNWEH-KXUCPTDWSA-N -1 0 384.410 0.457 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1C(=O)OC ZINC001598986749 998702512 /nfs/dbraw/zinc/70/25/12/998702512.db2.gz VFTRVJANMBEDFE-INIZCTEOSA-N -1 0 385.394 0.888 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)cc1F ZINC001598986883 998703137 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530833060 /nfs/dbraw/zinc/83/30/60/530833060.db2.gz SPFKWTZLBIJAAV-LBPRGKRZSA-N -1 0 390.483 0.676 20 0 GCADRM CCc1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)o1 ZINC000656303250 530833138 /nfs/dbraw/zinc/83/31/38/530833138.db2.gz ZMPFFDMIQXVVHF-SNVBAGLBSA-N -1 0 389.455 0.697 20 0 GCADRM Cc1nc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCCF)cc2)no1 ZINC000656364999 530835303 /nfs/dbraw/zinc/83/53/03/530835303.db2.gz ODGYETSYHOXSGE-UHFFFAOYSA-N -1 0 378.407 0.817 20 0 GCADRM CCOC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c[nH]cn2)cc1 ZINC000656363567 530835395 /nfs/dbraw/zinc/83/53/95/530835395.db2.gz HTHKSXDEKAHLJJ-NSHDSACASA-N -1 0 388.471 0.914 20 0 GCADRM Cc1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCOC3)cc2)o1 ZINC000656364966 530835427 /nfs/dbraw/zinc/83/54/27/530835427.db2.gz GIODFWDUCMYURW-LLVKDONJSA-N -1 0 387.439 0.851 20 0 GCADRM CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCCN2C2CCOCC2)s1 ZINC000378189825 530835627 /nfs/dbraw/zinc/83/56/27/530835627.db2.gz JOCOMIUGUMFUFU-SNVBAGLBSA-N -1 0 375.476 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375.399 0.697 20 0 GCADRM CCn1ccnc1C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000487365620 530812112 /nfs/dbraw/zinc/81/21/12/530812112.db2.gz INHOSUSDLDVRDF-UHFFFAOYSA-N -1 0 383.396 0.494 20 0 GCADRM CCOc1ccc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400198600 530812515 /nfs/dbraw/zinc/81/25/15/530812515.db2.gz CXMQPNUCBHDIKW-SNVBAGLBSA-N -1 0 392.455 0.096 20 0 GCADRM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904919 530812560 /nfs/dbraw/zinc/81/25/60/530812560.db2.gz NWHUBZDCFVDOCF-MROQNXINSA-N -1 0 375.491 0.845 20 0 GCADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000400302690 530813122 /nfs/dbraw/zinc/81/31/22/530813122.db2.gz SVFOZZWAKDXHFE-JTQLQIEISA-N -1 0 396.874 0.741 20 0 GCADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000400305449 530813309 /nfs/dbraw/zinc/81/33/09/530813309.db2.gz UTBOXRGGDYCPGN-CYBMUJFWSA-N -1 0 376.456 0.228 20 0 GCADRM C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655943008 530813863 /nfs/dbraw/zinc/81/38/63/530813863.db2.gz BXIKWACWRNAFSL-MRVPVSSYSA-N -1 0 391.833 0.366 20 0 GCADRM CC[C@H](C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)[O-] ZINC000400605813 530813969 /nfs/dbraw/zinc/81/39/69/530813969.db2.gz DXNQVEJVFHODSQ-GWCFXTLKSA-N -1 0 378.472 0.762 20 0 GCADRM C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(=O)[O-] ZINC000655985171 530816229 /nfs/dbraw/zinc/81/62/29/530816229.db2.gz UWIZPCWTNYPXMO-PWSUYJOCSA-N -1 0 398.257 0.981 20 0 GCADRM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000488233514 530816369 /nfs/dbraw/zinc/81/63/69/530816369.db2.gz REQYSJUOECJISL-UHFFFAOYSA-N -1 0 383.451 0.885 20 0 GCADRM CCS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000655995233 530816574 /nfs/dbraw/zinc/81/65/74/530816574.db2.gz AOQYWAYTIHHQJV-LLVKDONJSA-N -1 0 390.483 0.631 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21)C(=O)[O-] ZINC000656001355 530816734 /nfs/dbraw/zinc/81/67/34/530816734.db2.gz FTSWQJNGIOPQPH-KWQFWETISA-N -1 0 388.829 0.464 20 0 GCADRM Cc1c(Br)cccc1CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000655998729 530816818 /nfs/dbraw/zinc/81/68/18/530816818.db2.gz WKOOWBYHEUMVQB-LBPRGKRZSA-N -1 0 385.214 0.686 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cn1 ZINC000376648680 530817255 /nfs/dbraw/zinc/81/72/55/530817255.db2.gz KXENHKHVUGSWAV-UHFFFAOYSA-N -1 0 382.419 0.935 20 0 GCADRM O=S(=O)([N-]c1nnc[nH]1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000656051701 530818331 /nfs/dbraw/zinc/81/83/31/530818331.db2.gz CHBHAXPPFDPUQT-UHFFFAOYSA-N -1 0 387.443 0.063 20 0 GCADRM CC(C)[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O)C(=O)[O-] ZINC000656092355 530820696 /nfs/dbraw/zinc/82/06/96/530820696.db2.gz KBJXIJGJVBUSPX-NSHDSACASA-N -1 0 393.487 0.353 20 0 GCADRM C[C@H](CCCO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000656103494 530821811 /nfs/dbraw/zinc/82/18/11/530821811.db2.gz 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CC(=O)NCCc1ccc(S(=O)(=O)N2[C@H](C)SC[C@@H]2C(=O)[O-])s1 ZINC000547576746 531099877 /nfs/dbraw/zinc/09/98/77/531099877.db2.gz VHIZRZFAPNVHKO-GXSJLCMTSA-N -1 0 378.497 0.963 20 0 GCADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1F ZINC000547578507 531099884 /nfs/dbraw/zinc/09/98/84/531099884.db2.gz QCYGEQHBZVVURP-LBPRGKRZSA-N -1 0 380.419 0.729 20 0 GCADRM COCCN(CCC(=O)[O-])S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000547583910 531099922 /nfs/dbraw/zinc/09/99/22/531099922.db2.gz QOGVRJQIEWCKEG-UHFFFAOYSA-N -1 0 379.456 0.510 20 0 GCADRM CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000547585736 531100346 /nfs/dbraw/zinc/10/03/46/531100346.db2.gz BJUHCIXVXYYYQN-RKDXNWHRSA-N -1 0 378.403 0.505 20 0 GCADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000547596517 531100384 /nfs/dbraw/zinc/10/03/84/531100384.db2.gz ILNGHXHGAOTFEV-NSHDSACASA-N -1 0 379.456 0.341 20 0 GCADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000547589884 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375.878 0.850 20 0 GCADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)c2ccccn2)no1 ZINC000349573239 531069587 /nfs/dbraw/zinc/06/95/87/531069587.db2.gz WVHAEPMQKCUHNB-JTQLQIEISA-N -1 0 389.459 0.585 20 0 GCADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCCO2)c1C ZINC000349572508 531070014 /nfs/dbraw/zinc/07/00/14/531070014.db2.gz UVZCZJRTLXBZOB-CYBMUJFWSA-N -1 0 395.503 0.912 20 0 GCADRM O=S(=O)(CCCCS(=O)(=O)NC1CC2(CCC2)C1)[N-]c1nc[nH]n1 ZINC000349578227 531070274 /nfs/dbraw/zinc/07/02/74/531070274.db2.gz BFKXRSZDHSDQEF-UHFFFAOYSA-N -1 0 377.492 0.579 20 0 GCADRM CC(C)c1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)s1 ZINC000349577367 531070321 /nfs/dbraw/zinc/07/03/21/531070321.db2.gz QRIYPICOGUURNQ-JTQLQIEISA-N -1 0 398.532 0.502 20 0 GCADRM CCC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(OC)n2)C1 ZINC000348341970 531070530 /nfs/dbraw/zinc/07/05/30/531070530.db2.gz ITKNGFYFCSNARH-UHFFFAOYSA-N -1 0 392.503 0.679 20 0 GCADRM COc1ccc(C)nc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 ZINC000349578535 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0.939 20 0 GCADRM C[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000547918497 531106862 /nfs/dbraw/zinc/10/68/62/531106862.db2.gz YQRGMJJYLLSUQQ-RISCZKNCSA-N -1 0 390.483 0.811 20 0 GCADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000547927571 531106892 /nfs/dbraw/zinc/10/68/92/531106892.db2.gz VRSDIBRNJXVMFM-MCFWBGNESA-N -1 0 386.451 0.123 20 0 GCADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])cc21 ZINC000547927574 531106912 /nfs/dbraw/zinc/10/69/12/531106912.db2.gz VRSDIBRNJXVMFM-YYUOZPCZSA-N -1 0 386.451 0.123 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc1C(=O)N(C)C ZINC000547916754 531107010 /nfs/dbraw/zinc/10/70/10/531107010.db2.gz MVNUNBZEKITNRN-LBPRGKRZSA-N -1 0 390.483 0.882 20 0 GCADRM CN(C(=O)[C@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CC1 ZINC000667702085 531107155 /nfs/dbraw/zinc/10/71/55/531107155.db2.gz NQKVSXHEZIIHQS-GFCCVEGCSA-N -1 0 385.467 0.176 20 0 GCADRM O=C([O-])[C@H]1[C@H](c2ccccc2)CCN1S(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000547929511 531107265 /nfs/dbraw/zinc/10/72/65/531107265.db2.gz LMJLTJUUXLDRQG-LSDHHAIUSA-N -1 0 387.479 0.836 20 0 GCADRM CNS(=O)(=O)c1cccc(S(=O)(=O)NCC2(CC(=O)[O-])CCC2)c1 ZINC000547933033 531107274 /nfs/dbraw/zinc/10/72/74/531107274.db2.gz MKRLYYARBJLOFU-UHFFFAOYSA-N -1 0 376.456 0.518 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000547930320 531107429 /nfs/dbraw/zinc/10/74/29/531107429.db2.gz VYRBQHNTHNDWHU-JTQLQIEISA-N -1 0 388.250 0.866 20 0 GCADRM CCOc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])cc1OCC ZINC000547930616 531107490 /nfs/dbraw/zinc/10/74/90/531107490.db2.gz WLRWVVSZJIOENH-MCFWBGNESA-N -1 0 391.467 0.690 20 0 GCADRM COC(=O)CCN(C)S(=O)(=O)N(CCC(=O)[O-])Cc1cccc(F)c1 ZINC000547930241 531107521 /nfs/dbraw/zinc/10/75/21/531107521.db2.gz UEKOBLDWGBBNAZ-UHFFFAOYSA-N -1 0 376.406 0.842 20 0 GCADRM O=C([O-])[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000547963359 531107779 /nfs/dbraw/zinc/10/77/79/531107779.db2.gz CRHRLKNRBBSYCR-KOLCDFICSA-N -1 0 379.818 0.479 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000547936690 531108065 /nfs/dbraw/zinc/10/80/65/531108065.db2.gz LSCJEDWUZJUPIJ-UHFFFAOYSA-N -1 0 388.423 0.707 20 0 GCADRM CCC(=O)C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000547936496 531108082 /nfs/dbraw/zinc/10/80/82/531108082.db2.gz ISDFVUZFISHCPH-ZDUSSCGKSA-N -1 0 377.440 0.332 20 0 GCADRM Cc1nn2cc(S(=O)(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])cnc2c1Cl ZINC000548197864 531110625 /nfs/dbraw/zinc/11/06/25/531110625.db2.gz TXZRYFHKOXGPHN-SNVBAGLBSA-N -1 0 384.805 0.388 20 0 GCADRM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000548198115 531110766 /nfs/dbraw/zinc/11/07/66/531110766.db2.gz DRDJKBRIBGBSLM-NSHDSACASA-N -1 0 376.456 0.613 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)[O-])c(OC)c1 ZINC000548209319 531111358 /nfs/dbraw/zinc/11/13/58/531111358.db2.gz GIMBDOYOCULOMV-UHFFFAOYSA-N -1 0 380.444 0.552 20 0 GCADRM O=C([O-])C1CN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000548225583 531111842 /nfs/dbraw/zinc/11/18/42/531111842.db2.gz WRFGPTDXUZKDDD-UHFFFAOYSA-N -1 0 391.199 0.485 20 0 GCADRM COC[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)[O-] ZINC000548222510 531111869 /nfs/dbraw/zinc/11/18/69/531111869.db2.gz DPHJARKGZNQMIP-JTQLQIEISA-N -1 0 396.215 0.614 20 0 GCADRM COC(=O)c1nscc1S(=O)(=O)N(Cc1cccnc1)[C@@H](C)C(=O)[O-] ZINC000548220211 531111881 /nfs/dbraw/zinc/11/18/81/531111881.db2.gz YDJMCKOYQXIRPH-VIFPVBQESA-N -1 0 385.423 0.989 20 0 GCADRM Cn1cc(C[C@H](CNS(=O)(=O)c2cccc3nsnc32)C(=O)[O-])cn1 ZINC000548216073 531111971 /nfs/dbraw/zinc/11/19/71/531111971.db2.gz CXTATKCBKCWDQH-SNVBAGLBSA-N -1 0 381.439 0.647 20 0 GCADRM CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1 ZINC000548228437 531112408 /nfs/dbraw/zinc/11/24/08/531112408.db2.gz GPOMZDXERGXSPF-LLVKDONJSA-N -1 0 378.472 0.907 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)cc1Cl ZINC000548241927 531112425 /nfs/dbraw/zinc/11/24/25/531112425.db2.gz VDAYDZMKHGIYPH-UHFFFAOYSA-N -1 0 388.789 0.281 20 0 GCADRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CCOC)CCC(=O)[O-])c1C ZINC000548243309 531112647 /nfs/dbraw/zinc/11/26/47/531112647.db2.gz PZTWTRPUYPLMMR-UHFFFAOYSA-N -1 0 376.431 0.920 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000548257897 531113038 /nfs/dbraw/zinc/11/30/38/531113038.db2.gz FGKAGBICXYPDIL-NSHDSACASA-N -1 0 385.822 0.493 20 0 GCADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000548247614 531113150 /nfs/dbraw/zinc/11/31/50/531113150.db2.gz RWJGAGXXKAEHFW-CYBMUJFWSA-N -1 0 388.829 0.280 20 0 GCADRM O=C([O-])[C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc3c(c1)S(=O)(=O)CC3)C2 ZINC000548249759 531113183 /nfs/dbraw/zinc/11/31/83/531113183.db2.gz QTQFATBNKMDMBP-WBMJQRKESA-N -1 0 385.463 0.892 20 0 GCADRM O=C([O-])[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc3c(c1)S(=O)(=O)CC3)C2 ZINC000548249757 531113299 /nfs/dbraw/zinc/11/32/99/531113299.db2.gz QTQFATBNKMDMBP-LRDDRELGSA-N -1 0 385.463 0.892 20 0 GCADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC000548248285 531113398 /nfs/dbraw/zinc/11/33/98/531113398.db2.gz WRIWLSXPLFXDOJ-LBPRGKRZSA-N -1 0 393.487 0.343 20 0 GCADRM CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)[O-] ZINC000548256908 531113410 /nfs/dbraw/zinc/11/34/10/531113410.db2.gz GKNQXSANEUWVCD-SFDCACGMSA-N -1 0 398.865 0.673 20 0 GCADRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CCC1 ZINC000548264955 531113556 /nfs/dbraw/zinc/11/35/56/531113556.db2.gz YKKYJJQUBQAUOY-CYBMUJFWSA-N -1 0 376.818 0.736 20 0 GCADRM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCCOCC(=O)[O-] ZINC000548260416 531113730 /nfs/dbraw/zinc/11/37/30/531113730.db2.gz WYYNKTLDXPWSHM-UHFFFAOYSA-N -1 0 385.316 0.872 20 0 GCADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548258184 531113782 /nfs/dbraw/zinc/11/37/82/531113782.db2.gz PLCWMEWNAURAQR-RULNZOCKSA-N -1 0 395.842 0.333 20 0 GCADRM CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)c1 ZINC000548258046 531113854 /nfs/dbraw/zinc/11/38/54/531113854.db2.gz PLZLSKMLNIDCQE-LBPRGKRZSA-N -1 0 377.440 0.266 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000548262552 531113884 /nfs/dbraw/zinc/11/38/84/531113884.db2.gz JBKFFINAVYEYFL-CYBMUJFWSA-N -1 0 378.472 0.288 20 0 GCADRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1 ZINC000548280443 531114609 /nfs/dbraw/zinc/11/46/09/531114609.db2.gz SYQBBHNMNAWGDW-UHFFFAOYSA-N -1 0 381.395 0.706 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cn1 ZINC000431177813 531114731 /nfs/dbraw/zinc/11/47/31/531114731.db2.gz GVHPKERQNWPYFR-UHFFFAOYSA-N -1 0 388.402 0.916 20 0 GCADRM NC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1F ZINC000431182400 531115126 /nfs/dbraw/zinc/11/51/26/531115126.db2.gz ONQQCZGNUSZQNV-UHFFFAOYSA-N -1 0 388.402 0.765 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC)C(=O)[O-])c(OC)c1 ZINC000548526236 531117210 /nfs/dbraw/zinc/11/72/10/531117210.db2.gz LAKVEMNGHNWXRD-NSHDSACASA-N -1 0 394.471 0.988 20 0 GCADRM CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000673479714 531117677 /nfs/dbraw/zinc/11/76/77/531117677.db2.gz VPBVXCWYRCOORQ-UHFFFAOYSA-N -1 0 387.443 0.113 20 0 GCADRM CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000548532287 531117798 /nfs/dbraw/zinc/11/77/98/531117798.db2.gz ONBRNHQVNWNYIP-NSHDSACASA-N -1 0 391.471 0.390 20 0 GCADRM Cn1cc([C@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)C(=O)[O-])cn1 ZINC000548536220 531117849 /nfs/dbraw/zinc/11/78/49/531117849.db2.gz DXPWLMGIEOAFFV-NSHDSACASA-N -1 0 386.773 0.612 20 0 GCADRM COC(=O)c1nscc1S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000548533622 531117987 /nfs/dbraw/zinc/11/79/87/531117987.db2.gz LPTCNAIAJKPCRT-SECBINFHSA-N -1 0 385.423 0.547 20 0 GCADRM COC(=O)Cn1cc(S(=O)(=O)NCCc2nc(C)c(C(=O)[O-])s2)cn1 ZINC000548535263 531118146 /nfs/dbraw/zinc/11/81/46/531118146.db2.gz XWBMJHNUFPLGAL-UHFFFAOYSA-N -1 0 388.427 0.040 20 0 GCADRM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NC[C@@]1(O)CCOC1 ZINC000673571245 531118235 /nfs/dbraw/zinc/11/82/35/531118235.db2.gz FJRZXQLUTAHSOP-AWEZNQCLSA-N -1 0 378.834 0.737 20 0 GCADRM COCCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](O)C(=O)[O-] ZINC000548549699 531118465 /nfs/dbraw/zinc/11/84/65/531118465.db2.gz VZPXFEWKNARCMR-VIFPVBQESA-N -1 0 398.231 0.198 20 0 GCADRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548547531 531118554 /nfs/dbraw/zinc/11/85/54/531118554.db2.gz HYECXOAGKYDXQU-NSHDSACASA-N -1 0 390.483 1.000 20 0 GCADRM CO[C@H](CNS(=O)(=O)c1cccc(I)c1)C(=O)[O-] ZINC000548540591 531118730 /nfs/dbraw/zinc/11/87/30/531118730.db2.gz SNQJGBHIVULUSV-SECBINFHSA-N -1 0 385.179 0.669 20 0 GCADRM CC[C@](C)(CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548541961 531118778 /nfs/dbraw/zinc/11/87/78/531118778.db2.gz FPVCHRXTJADKDY-CYBMUJFWSA-N -1 0 382.435 0.976 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)[O-])s1 ZINC000548538502 531118783 /nfs/dbraw/zinc/11/87/83/531118783.db2.gz POITVQYOAJJYNF-JTQLQIEISA-N -1 0 387.439 0.780 20 0 GCADRM COC(=O)c1cc(Br)ccc1S(=O)(=O)NC[C@@H](OC)C(=O)[O-] ZINC000548542637 531118795 /nfs/dbraw/zinc/11/87/95/531118795.db2.gz JMIICZKMPGBEPD-SECBINFHSA-N -1 0 396.215 0.614 20 0 GCADRM CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])cc1F ZINC000548566620 531119108 /nfs/dbraw/zinc/11/91/08/531119108.db2.gz XIMMGLOSURYXCO-GFCCVEGCSA-N -1 0 398.434 0.307 20 0 GCADRM Cc1cc(C)n(C[C@@H](NS(=O)(=O)c2cccc3nsnc32)C(=O)[O-])n1 ZINC000548555422 531119124 /nfs/dbraw/zinc/11/91/24/531119124.db2.gz QNWGGRUXZIJPAZ-LLVKDONJSA-N -1 0 381.439 0.936 20 0 GCADRM COC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000548562348 531119264 /nfs/dbraw/zinc/11/92/64/531119264.db2.gz QPZHTTQSQVXQEB-NSHDSACASA-N -1 0 379.456 0.427 20 0 GCADRM C[C@]1(C(=O)[O-])CCCC[C@@H]1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548557180 531119311 /nfs/dbraw/zinc/11/93/11/531119311.db2.gz OFEQOZCQCCBYJF-JSGCOSHPSA-N -1 0 376.456 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QXKYUVSWXVXYQL-ZDUSSCGKSA-N -1 0 389.408 0.803 20 0 GCADRM O=C([O-])[C@H]1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000819281153 597531314 /nfs/dbraw/zinc/53/13/14/597531314.db2.gz LQOZPSHEMPFHCV-QWHCGFSZSA-N -1 0 386.495 0.670 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000261682222 597532850 /nfs/dbraw/zinc/53/28/50/597532850.db2.gz LTZLRIRDGAPPRA-LBPRGKRZSA-N -1 0 390.483 0.812 20 0 GCADRM CC(=O)NCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](C)C(=O)[O-] ZINC000819780833 597679974 /nfs/dbraw/zinc/67/99/74/597679974.db2.gz MPYGIHDLEYYNGB-LBPRGKRZSA-N -1 0 387.458 0.475 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)[C@@H](C)C(=O)[O-] ZINC000262206765 597682860 /nfs/dbraw/zinc/68/28/60/597682860.db2.gz JEJDARZJFOPHBP-NILFDRSVSA-N -1 0 376.409 0.999 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[C@@H](C)C(=O)[O-] ZINC000819744309 597684813 /nfs/dbraw/zinc/68/48/13/597684813.db2.gz FSYDUVGATQWGMB-WPRPVWTQSA-N -1 0 390.362 0.971 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[C@@H](C)C(=O)[O-] ZINC000819744308 597684847 /nfs/dbraw/zinc/68/48/47/597684847.db2.gz FSYDUVGATQWGMB-WCBMZHEXSA-N -1 0 390.362 0.971 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C)[C@H](C)C(=O)[O-] ZINC000262149149 597685547 /nfs/dbraw/zinc/68/55/47/597685547.db2.gz AJIIUXKLVJCTBB-GHMZBOCLSA-N -1 0 376.413 0.515 20 0 GCADRM COc1ccc(-n2nnc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c2C)cc1 ZINC000262266340 597686691 /nfs/dbraw/zinc/68/66/91/597686691.db2.gz TYZPPWJEPPCSFD-GFCCVEGCSA-N -1 0 389.412 0.636 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000262190372 597687533 /nfs/dbraw/zinc/68/75/33/597687533.db2.gz GQYZDAFFBUIYID-WDEREUQCSA-N -1 0 383.832 0.896 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@H](C)C(=O)[O-] ZINC000262151028 597688090 /nfs/dbraw/zinc/68/80/90/597688090.db2.gz AUUYYGHDDWFLRM-ABAIWWIYSA-N -1 0 379.388 0.616 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)[C@@H](C)C(=O)[O-] ZINC000262217809 597688343 /nfs/dbraw/zinc/68/83/43/597688343.db2.gz KWJOFDNEIUAXON-BBRMVZONSA-N -1 0 390.440 0.372 20 0 GCADRM CC(=O)NCCN(C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O)[C@H](C)C(=O)[O-] ZINC000368008023 597689725 /nfs/dbraw/zinc/68/97/25/597689725.db2.gz RNTVZMMCBZZBHC-FZKQIMNGSA-N -1 0 389.452 0.960 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc(CN2CCCC2=O)cc1)[C@H](C)C(=O)[O-] ZINC000262263725 597691494 /nfs/dbraw/zinc/69/14/94/597691494.db2.gz SUHCLYOYDJQNSN-CYBMUJFWSA-N -1 0 375.425 0.860 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)[C@H](C)C(=O)[O-] ZINC000819744467 597691754 /nfs/dbraw/zinc/69/17/54/597691754.db2.gz NRKNEJHQYMQUED-RFAUZJTJSA-N -1 0 383.351 0.896 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)C(=O)[O-] ZINC000819744396 597692830 /nfs/dbraw/zinc/69/28/30/597692830.db2.gz KRSLTKTYDPRKSM-APPDUMDISA-N -1 0 389.424 0.773 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H](C)C(=O)[O-] ZINC000781134703 597693219 /nfs/dbraw/zinc/69/32/19/597693219.db2.gz FHRILCRSVYMNIE-DGCLKSJQSA-N -1 0 379.388 0.616 20 0 GCADRM CCn1c2ccccc2n(CC(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1=O ZINC000262223834 597693634 /nfs/dbraw/zinc/69/36/34/597693634.db2.gz LVLFVOROQMWMGJ-LBPRGKRZSA-N -1 0 376.413 0.261 20 0 GCADRM CC(=O)NCCN(C(=O)CN1C(=O)c2ccc(C)cc2C1=O)[C@H](C)C(=O)[O-] ZINC000262238252 597693656 /nfs/dbraw/zinc/69/36/56/597693656.db2.gz OKKNRFJYROWXFL-LLVKDONJSA-N -1 0 375.381 0.029 20 0 GCADRM CC(=O)NCCN(C(=O)CN1C(=O)c2ccc(C)cc2C1=O)[C@@H](C)C(=O)[O-] ZINC000262238254 597693658 /nfs/dbraw/zinc/69/36/58/597693658.db2.gz OKKNRFJYROWXFL-NSHDSACASA-N -1 0 375.381 0.029 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)[C@@H](C)C(=O)[O-] ZINC000262287473 597693758 /nfs/dbraw/zinc/69/37/58/597693758.db2.gz XZCBYQOWOARMQQ-NSHDSACASA-N -1 0 385.442 0.002 20 0 GCADRM 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392.433 0.868 20 0 GCADRM COc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])c(C(=O)N(C)C)cc1OC ZINC000832016924 601767466 /nfs/dbraw/zinc/76/74/66/601767466.db2.gz JPUCDZSVCAAERV-UHFFFAOYSA-N -1 0 395.412 0.571 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000830626573 601767864 /nfs/dbraw/zinc/76/78/64/601767864.db2.gz HFOMZWDPNVGSBZ-CYBMUJFWSA-N -1 0 385.442 0.322 20 0 GCADRM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CCOC1 ZINC000663132130 601768295 /nfs/dbraw/zinc/76/82/95/601768295.db2.gz VMWBPEDZTHGMNC-ORAYPTAESA-N -1 0 386.408 0.775 20 0 GCADRM CC1(C)CN(C(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCS1(=O)=O ZINC000828069223 601768801 /nfs/dbraw/zinc/76/88/01/601768801.db2.gz PYPKHAGJEOYEDE-UHFFFAOYSA-N -1 0 384.410 0.124 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)N2CCC(OCCCO)CC2)c2ccccc2O1 ZINC000833191923 601768899 /nfs/dbraw/zinc/76/88/99/601768899.db2.gz NCEQWYNHFPNFNP-INIZCTEOSA-N -1 0 392.408 0.255 20 0 GCADRM 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C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000827280238 602159357 /nfs/dbraw/zinc/15/93/57/602159357.db2.gz KTHDZVATPPDOFZ-KGLIPLIRSA-N -1 0 377.445 0.509 20 0 GCADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000827280241 602159439 /nfs/dbraw/zinc/15/94/39/602159439.db2.gz KTHDZVATPPDOFZ-UONOGXRCSA-N -1 0 377.445 0.509 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c(Br)o1 ZINC000831343176 602160827 /nfs/dbraw/zinc/16/08/27/602160827.db2.gz CUBJBQRRKMDTAC-QMMMGPOBSA-N -1 0 382.188 0.970 20 0 GCADRM O=C([O-])c1cc(S(=O)(=O)N2CCN(C3CC3)C(=O)C2)c(Br)o1 ZINC000761296086 602161617 /nfs/dbraw/zinc/16/16/17/602161617.db2.gz BQJOANHBORGGCS-UHFFFAOYSA-N -1 0 393.215 0.736 20 0 GCADRM C[C@H](CC(=O)[O-])C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000827263658 602163158 /nfs/dbraw/zinc/16/31/58/602163158.db2.gz SFLNTWHHVXCXBJ-GFCCVEGCSA-N -1 0 382.438 0.485 20 0 GCADRM O=C([O-])N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC000738643335 602164448 /nfs/dbraw/zinc/16/44/48/602164448.db2.gz APEDQBNXOZVLFZ-CABCVRRESA-N -1 0 377.397 0.581 20 0 GCADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000827295968 602164921 /nfs/dbraw/zinc/16/49/21/602164921.db2.gz QEJIEBYGZOKBST-CYBMUJFWSA-N -1 0 383.470 0.350 20 0 GCADRM O=C([O-])c1csc(S(=O)(=O)NCC2(O)CCC3(CC2)OCCO3)c1 ZINC000833344675 602166684 /nfs/dbraw/zinc/16/66/84/602166684.db2.gz YYLYBYXHDIMZNF-UHFFFAOYSA-N -1 0 377.440 0.773 20 0 GCADRM CC[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000828989120 602174798 /nfs/dbraw/zinc/17/47/98/602174798.db2.gz QGDOREUMHQMSOT-IRXDYDNUSA-N -1 0 399.513 0.907 20 0 GCADRM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC000827687029 602175327 /nfs/dbraw/zinc/17/53/27/602175327.db2.gz ILKBFTWMRUJNCA-NWDGAFQWSA-N -1 0 380.463 0.795 20 0 GCADRM CN1CCO[C@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])oc3Br)C[C@H]21 ZINC000830963274 602176193 /nfs/dbraw/zinc/17/61/93/602176193.db2.gz BGYWKPITJIFZTF-APPZFPTMSA-N -1 0 395.231 0.444 20 0 GCADRM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)CCO2)cn1 ZINC000645992493 602176450 /nfs/dbraw/zinc/17/64/50/602176450.db2.gz RLSXDNFRCSBIGE-QGZVFWFLSA-N -1 0 395.437 0.820 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000827767592 602176895 /nfs/dbraw/zinc/17/68/95/602176895.db2.gz DUVWQFQBEWEPNK-NSHDSACASA-N -1 0 376.398 0.588 20 0 GCADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000832869188 602177274 /nfs/dbraw/zinc/17/72/74/602177274.db2.gz IDUHZLPVNPRBKF-UHFFFAOYSA-N -1 0 383.470 0.478 20 0 GCADRM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000831832053 602177324 /nfs/dbraw/zinc/17/73/24/602177324.db2.gz URGLZUQSFJYDKP-NSHDSACASA-N -1 0 396.425 0.945 20 0 GCADRM Cc1ccc(-c2nc(SCC(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])n[nH]2)cc1 ZINC000832907777 602185730 /nfs/dbraw/zinc/18/57/30/602185730.db2.gz MAQUDQDAVXUDIQ-LBPRGKRZSA-N -1 0 389.437 0.674 20 0 GCADRM C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])NS(=O)(=O)c1cccnc1Cl ZINC000823846006 602191898 /nfs/dbraw/zinc/19/18/98/602191898.db2.gz FZQNVUJSILEDTR-UWVGGRQHSA-N -1 0 391.833 0.104 20 0 GCADRM C[C@@H](CC(=O)[O-])C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000827348285 602193455 /nfs/dbraw/zinc/19/34/55/602193455.db2.gz CGJSUXKPTDAQCG-LBPRGKRZSA-N -1 0 398.437 0.420 20 0 GCADRM COC[C@](C)(NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000831602845 602196177 /nfs/dbraw/zinc/19/61/77/602196177.db2.gz RIMFVUHMNVIJJX-OTYXRUKQSA-N -1 0 393.849 0.398 20 0 GCADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NS(=O)(=O)N2CCOCC2)c1 ZINC000833186100 602200329 /nfs/dbraw/zinc/20/03/29/602200329.db2.gz ANIORFUNZZGSIQ-HNNXBMFYSA-N -1 0 397.453 0.755 20 0 GCADRM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000833108935 602204633 /nfs/dbraw/zinc/20/46/33/602204633.db2.gz WLMRIMJHJRGLPE-RISCZKNCSA-N -1 0 390.375 0.137 20 0 GCADRM Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000833019579 602206205 /nfs/dbraw/zinc/20/62/05/602206205.db2.gz QBFJYZJUTRANQB-GFCCVEGCSA-N -1 0 378.364 0.224 20 0 GCADRM NC(=O)NC(=O)CCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000833083629 602210874 /nfs/dbraw/zinc/21/08/74/602210874.db2.gz GNCAJCXYZGQCDB-UHFFFAOYSA-N -1 0 384.197 0.555 20 0 GCADRM CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000825871911 602211437 /nfs/dbraw/zinc/21/14/37/602211437.db2.gz ZHFGRODMVOCAHM-GFCCVEGCSA-N -1 0 383.426 0.921 20 0 GCADRM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000829160733 602212745 /nfs/dbraw/zinc/21/27/45/602212745.db2.gz JVPWAQIDYVVGIX-FZMZJTMJSA-N -1 0 390.483 0.723 20 0 GCADRM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000829163633 602212900 /nfs/dbraw/zinc/21/29/00/602212900.db2.gz ZCWUHRHQXIOEPU-KOLCDFICSA-N -1 0 396.512 0.785 20 0 GCADRM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NS(=O)(=O)N(C)CCC(=O)[O-] ZINC000829151443 602212956 /nfs/dbraw/zinc/21/29/56/602212956.db2.gz RJACRJZXOFYMSC-STQMWFEESA-N -1 0 399.535 0.066 20 0 GCADRM C[C@]1([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])s3)C2)NC(=O)NC1=O ZINC000828089164 602214121 /nfs/dbraw/zinc/21/41/21/602214121.db2.gz STQVUHICRBXNHY-XLKFXECMSA-N -1 0 387.439 0.445 20 0 GCADRM C[C@@]1([C@@H]2CCCN(S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)C2)NC(=O)NC1=O ZINC000828088975 602214420 /nfs/dbraw/zinc/21/44/20/602214420.db2.gz QGKQUQZXBKPKEA-DYVFJYSZSA-N -1 0 395.437 0.525 20 0 GCADRM Cc1oc(S(=O)(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)cc1C(=O)[O-] ZINC000833027705 602214923 /nfs/dbraw/zinc/21/49/23/602214923.db2.gz AFMGPBRTGSDPSW-BJOHPYRUSA-N -1 0 385.398 0.285 20 0 GCADRM Cn1cc(S(=O)(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(=O)n(C)c1=O ZINC000833054311 602217128 /nfs/dbraw/zinc/21/71/28/602217128.db2.gz XGDWYOXMOJEZAE-ZDUSSCGKSA-N -1 0 395.437 0.214 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)NC[C@@H](O)C2CCOCC2)cc(C(=O)[O-])c1 ZINC000832713525 602217310 /nfs/dbraw/zinc/21/73/10/602217310.db2.gz FWBVRNSIBNYYPN-CQSZACIVSA-N -1 0 386.426 0.697 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830136696 602217828 /nfs/dbraw/zinc/21/78/28/602217828.db2.gz FXCMMQJCNLAYSQ-CYBMUJFWSA-N -1 0 392.499 0.697 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830136697 602217991 /nfs/dbraw/zinc/21/79/91/602217991.db2.gz FXCMMQJCNLAYSQ-ZDUSSCGKSA-N -1 0 392.499 0.697 20 0 GCADRM CC1N=NC(=S)N1CCNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833020834 602218959 /nfs/dbraw/zinc/21/89/59/602218959.db2.gz CWSODGOKTBIBAZ-UHFFFAOYSA-N -1 0 399.454 0.799 20 0 GCADRM O=C([O-])NCCOC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000739972991 602219654 /nfs/dbraw/zinc/21/96/54/602219654.db2.gz RYBVNTYENWPLIM-UHFFFAOYSA-N -1 0 381.410 0.658 20 0 GCADRM COC(=O)N1CCN(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000831204130 602221001 /nfs/dbraw/zinc/22/10/01/602221001.db2.gz OIRZIYVXETVXBM-UHFFFAOYSA-N -1 0 385.398 0.704 20 0 GCADRM CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000831836239 602221647 /nfs/dbraw/zinc/22/16/47/602221647.db2.gz BVIXIRDBUGZFLR-NSHDSACASA-N -1 0 394.446 0.944 20 0 GCADRM CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000831836288 602221867 /nfs/dbraw/zinc/22/18/67/602221867.db2.gz DTFLWNNMMUZNND-ZDUSSCGKSA-N -1 0 390.483 0.946 20 0 GCADRM C[C@H]1CN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828438792 602222843 /nfs/dbraw/zinc/22/28/43/602222843.db2.gz FPFHDXZRHZYWEJ-WCBMZHEXSA-N -1 0 375.834 0.578 20 0 GCADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)c1 ZINC000831242632 602223267 /nfs/dbraw/zinc/22/32/67/602223267.db2.gz MBJYKZJLRLMRCR-NSHDSACASA-N -1 0 391.423 0.027 20 0 GCADRM CC(C)OC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000827021928 602231241 /nfs/dbraw/zinc/23/12/41/602231241.db2.gz NBQQOSSEEIKMSE-CYBMUJFWSA-N -1 0 384.410 0.411 20 0 GCADRM CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])C1 ZINC000829832283 602231347 /nfs/dbraw/zinc/23/13/47/602231347.db2.gz BAEMZRPCSFSKIH-STQMWFEESA-N -1 0 380.463 0.316 20 0 GCADRM CC(C)OC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000827021829 602231440 /nfs/dbraw/zinc/23/14/40/602231440.db2.gz KLVPNQGXUBRFSJ-ZDUSSCGKSA-N -1 0 391.467 0.515 20 0 GCADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC(S(C)(=O)=O)CC1 ZINC000831919629 602233596 /nfs/dbraw/zinc/23/35/96/602233596.db2.gz YSKLWYKSKGTHQN-CYBMUJFWSA-N -1 0 387.454 0.642 20 0 GCADRM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000827686505 602235578 /nfs/dbraw/zinc/23/55/78/602235578.db2.gz CFJXGKBQOHQXGQ-UKRRQHHQSA-N -1 0 399.488 0.924 20 0 GCADRM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CCO1 ZINC000827686503 602235581 /nfs/dbraw/zinc/23/55/81/602235581.db2.gz CFJXGKBQOHQXGQ-DZGCQCFKSA-N -1 0 399.488 0.924 20 0 GCADRM Cn1cc([C@@]2(C)CN(CC(=O)Nc3nc(CC(=O)[O-])cs3)CCO2)cn1 ZINC000833043499 602238563 /nfs/dbraw/zinc/23/85/63/602238563.db2.gz RRLIXZAUKPCGGT-MRXNPFEDSA-N -1 0 379.442 0.690 20 0 GCADRM Cc1[nH]c(C(=O)[C@@H](C)N2CCN(CCC(=O)N(C)C)CC2)c(C)c1C(=O)[O-] ZINC000832843615 602238796 /nfs/dbraw/zinc/23/87/96/602238796.db2.gz YLJCNHRRXDXZAC-CQSZACIVSA-N -1 0 378.473 0.997 20 0 GCADRM C[C@@H](CN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1)C(=O)[O-] ZINC000827432376 602244174 /nfs/dbraw/zinc/24/41/74/602244174.db2.gz KLJCUCAFOQTIGE-AWEZNQCLSA-N -1 0 389.456 0.617 20 0 GCADRM O=C([O-])[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000833188666 602245330 /nfs/dbraw/zinc/24/53/30/602245330.db2.gz DRSARGPUDIJGEM-CQSZACIVSA-N -1 0 375.429 0.229 20 0 GCADRM C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)[O-] ZINC000262725769 602245458 /nfs/dbraw/zinc/24/54/58/602245458.db2.gz ZCLLOHPTEGZSSJ-MWLCHTKSSA-N -1 0 382.394 0.213 20 0 GCADRM C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000262707149 602250199 /nfs/dbraw/zinc/25/01/99/602250199.db2.gz NJIRSHHOYNZOLM-MRVPVSSYSA-N -1 0 379.232 0.707 20 0 GCADRM COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000581428967 602251229 /nfs/dbraw/zinc/25/12/29/602251229.db2.gz NEIRXGSULOKTRG-LLVKDONJSA-N -1 0 398.437 0.463 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)c2ccc(S(N)(=O)=O)o2)cc(C(=O)[O-])c1 ZINC000832714089 602252834 /nfs/dbraw/zinc/25/28/34/602252834.db2.gz XSKJIWQMDNEUCD-UHFFFAOYSA-N -1 0 388.379 0.281 20 0 GCADRM COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831852261 602254683 /nfs/dbraw/zinc/25/46/83/602254683.db2.gz UUEYALWBWVDZTE-JTQLQIEISA-N -1 0 385.367 0.919 20 0 GCADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000833114860 602255101 /nfs/dbraw/zinc/25/51/01/602255101.db2.gz YZPFEMOXOTZOFA-MNOVXSKESA-N -1 0 389.343 0.881 20 0 GCADRM Cn1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(=O)n(C)c1=O ZINC000833041035 602259891 /nfs/dbraw/zinc/25/98/91/602259891.db2.gz ARBHQWISMUSOOB-UHFFFAOYSA-N -1 0 383.360 0.953 20 0 GCADRM O=C([O-])N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000738511769 602260827 /nfs/dbraw/zinc/26/08/27/602260827.db2.gz OJUZADOUEPWVAX-UHFFFAOYSA-N -1 0 380.376 0.423 20 0 GCADRM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000829794514 602264994 /nfs/dbraw/zinc/26/49/94/602264994.db2.gz GJQMDWWPTGYVDN-CQSZACIVSA-N -1 0 376.413 0.562 20 0 GCADRM CS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000832659692 602266833 /nfs/dbraw/zinc/26/68/33/602266833.db2.gz KPLSMWJLOONPRR-UHFFFAOYSA-N -1 0 382.438 0.678 20 0 GCADRM Cc1ccc(NC(=O)COC(=O)[C@H](C)CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000832943981 602270263 /nfs/dbraw/zinc/27/02/63/602270263.db2.gz PSRFKXHLHHFUIK-LLVKDONJSA-N -1 0 386.426 0.838 20 0 GCADRM Cc1ccc(NC(=O)COC(=O)[C@@H](C)CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000832943982 602270400 /nfs/dbraw/zinc/27/04/00/602270400.db2.gz PSRFKXHLHHFUIK-NSHDSACASA-N -1 0 386.426 0.838 20 0 GCADRM Cn1cc([C@]2(C)CN(C(=O)C(=O)Nc3cc(C(=O)[O-])ccc3F)CCO2)cn1 ZINC000833043331 602270962 /nfs/dbraw/zinc/27/09/62/602270962.db2.gz NJTNPFUJIQPPOO-SFHVURJKSA-N -1 0 390.371 0.970 20 0 GCADRM Cc1c(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)cccc1C(=O)[O-] ZINC000832855715 602271053 /nfs/dbraw/zinc/27/10/53/602271053.db2.gz QTZJKFPVCZFMBF-UHFFFAOYSA-N -1 0 390.440 0.254 20 0 GCADRM C[C@H](CC(=O)[O-])C(=O)OCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000827333007 602271544 /nfs/dbraw/zinc/27/15/44/602271544.db2.gz GNZSTFIEQCYPDR-CQSZACIVSA-N -1 0 390.436 0.920 20 0 GCADRM CCNC(=O)N1CC[C@H](NC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000829794613 602274051 /nfs/dbraw/zinc/27/40/51/602274051.db2.gz IJPDPQYTKLMVGM-AWEZNQCLSA-N -1 0 391.428 0.816 20 0 GCADRM CS(=O)(=O)C1CCN(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000832660018 602274118 /nfs/dbraw/zinc/27/41/18/602274118.db2.gz RZWMABJCFSZTPR-UHFFFAOYSA-N -1 0 397.453 0.932 20 0 GCADRM O=C([O-])CNC(=O)Cc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000833252244 602275523 /nfs/dbraw/zinc/27/55/23/602275523.db2.gz KKHFXSCGIAIAPV-CABCVRRESA-N -1 0 388.424 0.705 20 0 GCADRM NC(=O)C[C@H](NC(=O)Nc1nnc(CCCC(=O)[O-])s1)C1CCOCC1 ZINC000833080075 602279812 /nfs/dbraw/zinc/27/98/12/602279812.db2.gz LCRULBSFHLEVOT-JTQLQIEISA-N -1 0 385.446 0.738 20 0 GCADRM COC(=O)c1ccc(NC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1C(=O)[O-] ZINC000831411133 602280902 /nfs/dbraw/zinc/28/09/02/602280902.db2.gz SWEMNUYPWDKJAX-CQSZACIVSA-N -1 0 393.396 0.964 20 0 GCADRM COC(=O)c1ccc(NC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1C(=O)[O-] ZINC000831411131 602281154 /nfs/dbraw/zinc/28/11/54/602281154.db2.gz SWEMNUYPWDKJAX-AWEZNQCLSA-N -1 0 393.396 0.964 20 0 GCADRM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000831917075 602284172 /nfs/dbraw/zinc/28/41/72/602284172.db2.gz DEGZIVKKBIWQFE-QLFBSQMISA-N -1 0 378.425 0.876 20 0 GCADRM O=C([O-])COc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)c2ccccc12 ZINC000833254672 602284658 /nfs/dbraw/zinc/28/46/58/602284658.db2.gz SOSNPKBWHREDFI-UHFFFAOYSA-N -1 0 385.376 0.637 20 0 GCADRM O=C([O-])c1ccccc1NC(=O)CN(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000833103724 602284677 /nfs/dbraw/zinc/28/46/77/602284677.db2.gz CQYJOOIDJSDSFC-KGLIPLIRSA-N -1 0 396.465 0.991 20 0 GCADRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)N1CCN(c2ncccn2)CC1 ZINC000827867417 602286187 /nfs/dbraw/zinc/28/61/87/602286187.db2.gz ODFLVYWCNUHBKX-GFCCVEGCSA-N -1 0 385.380 0.464 20 0 GCADRM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1=O ZINC000830923274 602286802 /nfs/dbraw/zinc/28/68/02/602286802.db2.gz DYOMTDIMFSKZES-CQSZACIVSA-N -1 0 385.376 0.589 20 0 GCADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(=O)Nc1ccn(Cc3ccccn3)n1)CC2 ZINC000833162474 602286811 /nfs/dbraw/zinc/28/68/11/602286811.db2.gz XIRFJNOULUCLSV-CQSZACIVSA-N -1 0 383.408 0.978 20 0 GCADRM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000832730330 602286912 /nfs/dbraw/zinc/28/69/12/602286912.db2.gz OTNNCMYQTKAWIU-AREMUKBSSA-N -1 0 378.406 0.736 20 0 GCADRM O=C([O-])c1csc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000833341955 602291481 /nfs/dbraw/zinc/29/14/81/602291481.db2.gz BHASQEPCOFFWFY-UHFFFAOYSA-N -1 0 380.426 0.745 20 0 GCADRM COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000831558286 602294317 /nfs/dbraw/zinc/29/43/17/602294317.db2.gz GDOZQUUGUVOMHT-MRXNPFEDSA-N -1 0 378.389 0.981 20 0 GCADRM CCOC[C@H](C(=O)[O-])N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000829954253 602295223 /nfs/dbraw/zinc/29/52/23/602295223.db2.gz DYLQHIUYFHCVLF-ACJLOTCBSA-N -1 0 377.397 0.402 20 0 GCADRM COC(C)(C)CN(C)C(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000831484555 602295283 /nfs/dbraw/zinc/29/52/83/602295283.db2.gz NJMMTJFDLJNPOX-UHFFFAOYSA-N -1 0 379.413 0.713 20 0 GCADRM CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1=O ZINC000826956653 602301054 /nfs/dbraw/zinc/30/10/54/602301054.db2.gz XQGJPCNCFGDPTO-CYBMUJFWSA-N -1 0 390.396 0.549 20 0 GCADRM CC(C)N1C(=O)C[C@@H](NC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1=O ZINC000826956454 602301155 /nfs/dbraw/zinc/30/11/55/602301155.db2.gz PWPCFIQCLYNKAW-CYBMUJFWSA-N -1 0 390.396 0.087 20 0 GCADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)c12 ZINC000833001553 602323513 /nfs/dbraw/zinc/32/35/13/602323513.db2.gz IAIPKUZVPIVJKD-SECBINFHSA-N -1 0 375.410 0.153 20 0 GCADRM CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])CC1 ZINC000832688065 602349844 /nfs/dbraw/zinc/34/98/44/602349844.db2.gz WRZQERCXIFJJNW-KBPBESRZSA-N -1 0 375.491 0.103 20 0 GCADRM COC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2)CC1 ZINC000737624040 602357574 /nfs/dbraw/zinc/35/75/74/602357574.db2.gz XXLJQPGPCOFITM-UHFFFAOYSA-N -1 0 378.429 0.966 20 0 GCADRM O=C([O-])C[NH+]1CCN(c2ccc(NC(=O)NCc3n[nH]c(=O)[n-]3)cc2)CC1 ZINC000833249965 602364913 /nfs/dbraw/zinc/36/49/13/602364913.db2.gz YIPSBSPCLJXJGG-UHFFFAOYSA-N -1 0 375.389 0.039 20 0 GCADRM CS(=O)(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc(C(=O)[O-])c1 ZINC000832709490 602367163 /nfs/dbraw/zinc/36/71/63/602367163.db2.gz PFXGYAVRHNBTNY-STQMWFEESA-N -1 0 383.426 0.954 20 0 GCADRM CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832687420 602374660 /nfs/dbraw/zinc/37/46/60/602374660.db2.gz BCOYDMZKIOOSCZ-UHFFFAOYSA-N -1 0 388.421 0.223 20 0 GCADRM Cn1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C(=O)[O-] ZINC000833049585 602376555 /nfs/dbraw/zinc/37/65/55/602376555.db2.gz WLSSLVBSIHYOEI-UHFFFAOYSA-N -1 0 397.413 0.391 20 0 GCADRM CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000818645724 602379997 /nfs/dbraw/zinc/37/99/97/602379997.db2.gz RFXRRGJIJYDWKP-UHFFFAOYSA-N -1 0 386.401 0.632 20 0 GCADRM COc1ccc(CNC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000832324478 602385367 /nfs/dbraw/zinc/38/53/67/602385367.db2.gz XEHLVVCMDDCQLO-UHFFFAOYSA-N -1 0 399.469 0.959 20 0 GCADRM O=C([O-])c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1F ZINC000833319548 602386133 /nfs/dbraw/zinc/38/61/33/602386133.db2.gz LLPXQURTBJQHNH-UHFFFAOYSA-N -1 0 394.403 0.532 20 0 GCADRM C[C@](CO)(NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)C1CC1 ZINC000827512425 602398070 /nfs/dbraw/zinc/39/80/70/602398070.db2.gz NYTIJWWEUZRAIN-QGZVFWFLSA-N -1 0 384.454 0.646 20 0 GCADRM CSCC[C@@H](NC(=O)CNC(=O)[O-])C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000738192037 602473582 /nfs/dbraw/zinc/47/35/82/602473582.db2.gz UAXORUJJELDUBM-SECBINFHSA-N -1 0 382.398 0.977 20 0 GCADRM O=C([O-])Nc1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000738660280 602489432 /nfs/dbraw/zinc/48/94/32/602489432.db2.gz HSHQHRRCLNNPFQ-AWEZNQCLSA-N -1 0 385.442 0.995 20 0 GCADRM CCOC(=O)c1c(C)n[n-]c1S(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000825553409 607571456 /nfs/dbraw/zinc/57/14/56/607571456.db2.gz PUAWEBQXJKJKLJ-UHFFFAOYSA-N -1 0 378.370 0.843 20 0 GCADRM CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738157444 602603370 /nfs/dbraw/zinc/60/33/70/602603370.db2.gz KEXTZRSKLLWPFZ-UHFFFAOYSA-N -1 0 385.446 0.475 20 0 GCADRM O=C([O-])N1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 ZINC000738645772 602665132 /nfs/dbraw/zinc/66/51/32/602665132.db2.gz WJEPPZDMSFLSJJ-UHFFFAOYSA-N -1 0 389.380 0.841 20 0 GCADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736699651 602672513 /nfs/dbraw/zinc/67/25/13/602672513.db2.gz TUHUMJAUYGCTPP-GXFFZTMASA-N -1 0 384.410 0.967 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[O-])c1 ZINC000737557309 602676384 /nfs/dbraw/zinc/67/63/84/602676384.db2.gz HVJKMDPNSWIDBL-SNVBAGLBSA-N -1 0 386.430 0.086 20 0 GCADRM C[S@@](=O)Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)ccc1Cl ZINC000738141794 602856288 /nfs/dbraw/zinc/85/62/88/602856288.db2.gz GHYYNDKDENNXIT-RUZDIDTESA-N -1 0 387.845 0.979 20 0 GCADRM CC(C)(NC(=O)[O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000736324844 602856336 /nfs/dbraw/zinc/85/63/36/602856336.db2.gz IUMKHOZWVASDDA-UHFFFAOYSA-N -1 0 378.433 0.008 20 0 GCADRM COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000737631803 603003042 /nfs/dbraw/zinc/00/30/42/603003042.db2.gz QSEFWMPXSKVLRA-UHFFFAOYSA-N -1 0 378.385 0.646 20 0 GCADRM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736584723 603024852 /nfs/dbraw/zinc/02/48/52/603024852.db2.gz 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COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c(OC)c(OC)c1 ZINC000422662177 1194680698 /nfs/dbraw/zinc/68/06/98/1194680698.db2.gz NFEIAQCMEYNRLN-NSHDSACASA-N -1 0 380.353 0.505 20 0 GCADRM Cc1c(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)nnn1Cc1ccccc1F ZINC000422661219 1194680740 /nfs/dbraw/zinc/68/07/40/1194680740.db2.gz ILYBYYPJSYAJHO-CYBMUJFWSA-N -1 0 377.376 0.938 20 0 GCADRM CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])cc1F ZINC000422647388 1194681624 /nfs/dbraw/zinc/68/16/24/1194681624.db2.gz ARDBNDUAVHLGPR-VIFPVBQESA-N -1 0 378.364 0.978 20 0 GCADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000422646198 1194681648 /nfs/dbraw/zinc/68/16/48/1194681648.db2.gz YDIMFFGYDBBHQJ-UHFFFAOYSA-N -1 0 387.314 0.833 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)[O-] ZINC000422647662 1194681829 /nfs/dbraw/zinc/68/18/29/1194681829.db2.gz BGXJOPGVKUXJLK-LBPRGKRZSA-N -1 0 397.453 0.697 20 0 GCADRM Cc1cc(NC(=O)C(=O)NCCC(=O)[O-])nn1CCCOc1ccc(F)cc1 ZINC000422651293 1194681992 /nfs/dbraw/zinc/68/19/92/1194681992.db2.gz QUICJDVNSCOMSJ-UHFFFAOYSA-N -1 0 392.387 1.329 20 0 GCADRM Cc1nnnn1-c1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1F ZINC000422656040 1194682641 /nfs/dbraw/zinc/68/26/41/1194682641.db2.gz ARBPJDXUEQIBTM-LBPRGKRZSA-N -1 0 378.364 0.664 20 0 GCADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000422657530 1194682980 /nfs/dbraw/zinc/68/29/80/1194682980.db2.gz LLTIDDNPIKGCBR-AWEZNQCLSA-N -1 0 399.469 0.929 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c(OCC(=O)N(C)C)c1 ZINC000422657732 1194683190 /nfs/dbraw/zinc/68/31/90/1194683190.db2.gz AWFOWGWHNCYWPB-ZDUSSCGKSA-N -1 0 377.397 0.476 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1=O ZINC000422679429 1194683366 /nfs/dbraw/zinc/68/33/66/1194683366.db2.gz UJNFQOKTDQOCSC-HOTGVXAUSA-N -1 0 398.419 1.000 20 0 GCADRM Cc1cc(Cl)cnc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422679345 1194683396 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HSJJATHSXYPMIB-BDAKNGLRSA-N -1 0 379.344 0.778 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422682243 1194684180 /nfs/dbraw/zinc/68/41/80/1194684180.db2.gz ASQYLPIBBWRMOD-PWSUYJOCSA-N -1 0 397.453 0.411 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)C1 ZINC000422684984 1194684264 /nfs/dbraw/zinc/68/42/64/1194684264.db2.gz FZTYZEWMGWFDPP-JRPNMDOOSA-N -1 0 375.381 0.419 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1 ZINC000422683293 1194684278 /nfs/dbraw/zinc/68/42/78/1194684278.db2.gz CJNZFVYKUACRQD-RYUDHWBXSA-N -1 0 397.453 0.445 20 0 GCADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cn1 ZINC000422686080 1194684285 /nfs/dbraw/zinc/68/42/85/1194684285.db2.gz HREFHWSNUUOZCV-RYUDHWBXSA-N -1 0 394.428 0.689 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C1 ZINC000422683851 1194684294 /nfs/dbraw/zinc/68/42/94/1194684294.db2.gz 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0.150 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(S(C)(=O)=O)c1 ZINC000422685665 1194684685 /nfs/dbraw/zinc/68/46/85/1194684685.db2.gz HBZQUTUPNWKMSK-WDEREUQCSA-N -1 0 398.437 0.606 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422685447 1194684742 /nfs/dbraw/zinc/68/47/42/1194684742.db2.gz RIDFLMZIRLOOPY-LJQANCHMSA-N -1 0 389.408 0.484 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000422665960 1194684946 /nfs/dbraw/zinc/68/49/46/1194684946.db2.gz BPWLKALPDIYNTD-UFBFGSQYSA-N -1 0 389.405 0.288 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000422665605 1194685009 /nfs/dbraw/zinc/68/50/09/1194685009.db2.gz YUHOIMMDBIDMRY-AWEZNQCLSA-N -1 0 397.453 0.731 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000422665359 1194685095 /nfs/dbraw/zinc/68/50/95/1194685095.db2.gz WULDZGJBILSVQQ-LBPRGKRZSA-N -1 0 377.788 0.994 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1N1CCCC1=O ZINC000422665514 1194685103 /nfs/dbraw/zinc/68/51/03/1194685103.db2.gz YAZXPTGHYAWNRC-LBPRGKRZSA-N -1 0 375.381 0.836 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(C)cnc1OC(C)C)[C@@H](C)C(=O)[O-] ZINC000422668396 1194685433 /nfs/dbraw/zinc/68/54/33/1194685433.db2.gz DJZBYZXZRNVTDP-LBPRGKRZSA-N -1 0 394.428 0.554 20 0 GCADRM COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000422668560 1194685451 /nfs/dbraw/zinc/68/54/51/1194685451.db2.gz DWSNXNXLLGBFKM-NSHDSACASA-N -1 0 393.396 0.158 20 0 GCADRM COc1c(F)cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1F ZINC000422668983 1194685519 /nfs/dbraw/zinc/68/55/19/1194685519.db2.gz GFUBWQUGKNGAEB-MRVPVSSYSA-N -1 0 387.339 0.350 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c(C)cc1C ZINC000422667830 1194685559 /nfs/dbraw/zinc/68/55/59/1194685559.db2.gz APWINVVMERRZBN-LBPRGKRZSA-N -1 0 379.413 0.688 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)cc1)[C@H](C)C(=O)[O-] ZINC000422671100 1194685890 /nfs/dbraw/zinc/68/58/90/1194685890.db2.gz MEYSEHXQUFNESP-GFCCVEGCSA-N -1 0 379.413 0.850 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(=O)[O-] ZINC000422672746 1194686111 /nfs/dbraw/zinc/68/61/11/1194686111.db2.gz RIWSSAJIPNMNAN-LBPRGKRZSA-N -1 0 385.442 0.649 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1CCCc2ccc(F)cc21)[C@@H](C)C(=O)[O-] ZINC000422672514 1194686143 /nfs/dbraw/zinc/68/61/43/1194686143.db2.gz QNHJBCFMQWUJLD-NSHDSACASA-N -1 0 379.388 0.543 20 0 GCADRM CCn1ncc2ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc21 ZINC000422671677 1194686208 /nfs/dbraw/zinc/68/62/08/1194686208.db2.gz OADSOSZXHGIUJF-LLVKDONJSA-N -1 0 389.412 0.433 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCCC2=O)[C@H](C)C(=O)[O-] ZINC000422672651 1194686218 /nfs/dbraw/zinc/68/62/18/1194686218.db2.gz QXEGLZLQXQBXNG-LLVKDONJSA-N -1 0 389.408 0.582 20 0 GCADRM COC(=O)c1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc1C ZINC000422672009 1194686347 /nfs/dbraw/zinc/68/63/47/1194686347.db2.gz PHEHXXZMDVBQLE-LLVKDONJSA-N -1 0 393.396 0.158 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000422671508 1194686382 /nfs/dbraw/zinc/68/63/82/1194686382.db2.gz NODLOCVUZNGHKE-ZDUSSCGKSA-N -1 0 399.469 0.943 20 0 GCADRM CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000422672265 1194686597 /nfs/dbraw/zinc/68/65/97/1194686597.db2.gz MOZCVYXTBJQNET-LBPRGKRZSA-N -1 0 383.426 0.341 20 0 GCADRM CCC(=O)c1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000422674866 1194686602 /nfs/dbraw/zinc/68/66/02/1194686602.db2.gz XJPXISPJFWZPFB-LLVKDONJSA-N -1 0 377.397 0.656 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1C[C@H](C)Oc2ccccc21)[C@H](C)C(=O)[O-] ZINC000422673966 1194686651 /nfs/dbraw/zinc/68/66/51/1194686651.db2.gz VCQZPDRACWWEGP-NWDGAFQWSA-N -1 0 377.397 0.238 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2)[C@@H](C)C(=O)[O-] ZINC000422674019 1194686719 /nfs/dbraw/zinc/68/67/19/1194686719.db2.gz VJZNXSKLEJTPGP-QMMMGPOBSA-N -1 0 399.787 0.445 20 0 GCADRM CCCc1csc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000422674512 1194687050 /nfs/dbraw/zinc/68/70/50/1194687050.db2.gz AEYHVOXSGCNFRB-NEPJUHHUSA-N -1 0 396.469 0.860 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(F)c(F)c1F)[C@H](C)C(=O)[O-] ZINC000422675442 1194687168 /nfs/dbraw/zinc/68/71/68/1194687168.db2.gz YMJSZQRZYLRCJE-SSDOTTSWSA-N -1 0 375.303 0.480 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000422675896 1194687273 /nfs/dbraw/zinc/68/72/73/1194687273.db2.gz CIXROXINIBVLPP-PWSUYJOCSA-N -1 0 382.804 0.500 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1)[C@H](C)C(=O)[O-] ZINC000422675235 1194687494 /nfs/dbraw/zinc/68/74/94/1194687494.db2.gz YFSQLUKYNARISK-CYBMUJFWSA-N -1 0 392.456 0.908 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2OCO3)C1=O ZINC000422676848 1194687544 /nfs/dbraw/zinc/68/75/44/1194687544.db2.gz FYYLPNWJUZGXCW-DGCLKSJQSA-N -1 0 391.380 0.180 20 0 GCADRM COc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422676431 1194687559 /nfs/dbraw/zinc/68/75/59/1194687559.db2.gz DFDIBRDJEGSJDU-GXTWGEPZSA-N -1 0 395.387 0.599 20 0 GCADRM CCCCn1nccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422676479 1194687571 /nfs/dbraw/zinc/68/75/71/1194687571.db2.gz DNDZQKSWYRLMJI-TZMCWYRMSA-N -1 0 393.444 0.448 20 0 GCADRM COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000422676464 1194687592 /nfs/dbraw/zinc/68/75/92/1194687592.db2.gz DLKJXBXCJQYRIX-MRXNPFEDSA-N -1 0 386.426 0.624 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2OCO3)C1=O ZINC000422676850 1194687612 /nfs/dbraw/zinc/68/76/12/1194687612.db2.gz FYYLPNWJUZGXCW-YPMHNXCESA-N -1 0 391.380 0.180 20 0 GCADRM Cc1cccc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1F ZINC000422676667 1194687653 /nfs/dbraw/zinc/68/76/53/1194687653.db2.gz DWZBHPLWKCKKSE-GXTWGEPZSA-N -1 0 379.388 0.899 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1=O ZINC000422678030 1194687936 /nfs/dbraw/zinc/68/79/36/1194687936.db2.gz LYWYNGOHZIABAA-DGCLKSJQSA-N -1 0 393.444 0.403 20 0 GCADRM C[C@](O)(CNC(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000422677421 1194688049 /nfs/dbraw/zinc/68/80/49/1194688049.db2.gz IRWRFWCCTZMTNO-IBGZPJMESA-N -1 0 386.408 0.715 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3ncccc3c2)C1=O ZINC000422677463 1194688071 /nfs/dbraw/zinc/68/80/71/1194688071.db2.gz JCDBUZNWZDJGGU-CVEARBPZSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc(F)c2F)C1=O ZINC000422679058 1194688085 /nfs/dbraw/zinc/68/80/85/1194688085.db2.gz RECHOQJPHXXTLR-AAEUAGOBSA-N -1 0 383.351 0.730 20 0 GCADRM CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422677567 1194688133 /nfs/dbraw/zinc/68/81/33/1194688133.db2.gz JTVIWLHTLMVTQI-RISCZKNCSA-N -1 0 393.444 0.308 20 0 GCADRM CCc1nc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)sc1C ZINC000422678728 1194688249 /nfs/dbraw/zinc/68/82/49/1194688249.db2.gz PDZDCQWLQUHPFY-VXGBXAGGSA-N -1 0 396.469 0.779 20 0 GCADRM Cc1cc(C)nc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679078 1194688272 /nfs/dbraw/zinc/68/82/72/1194688272.db2.gz RISPEPZLESYMRX-JSGCOSHPSA-N -1 0 376.413 0.463 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(F)c1 ZINC000422678546 1194688316 /nfs/dbraw/zinc/68/83/16/1194688316.db2.gz OJQNWEHNDFPZKY-UONOGXRCSA-N -1 0 379.388 0.899 20 0 GCADRM CCOC(=O)c1cc2cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])ccc2s1 ZINC000422678846 1194688372 /nfs/dbraw/zinc/68/83/72/1194688372.db2.gz PWHSXFICSKTZHH-QGZVFWFLSA-N -1 0 394.405 0.968 20 0 GCADRM CCc1nc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)sc1C ZINC000422678727 1194688378 /nfs/dbraw/zinc/68/83/78/1194688378.db2.gz PDZDCQWLQUHPFY-RYUDHWBXSA-N -1 0 396.469 0.779 20 0 GCADRM Cc1c(Cl)cncc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422678304 1194688395 /nfs/dbraw/zinc/68/83/95/1194688395.db2.gz NEUJYNPPMXEKNL-AAEUAGOBSA-N -1 0 396.831 0.808 20 0 GCADRM Cc1c(F)cccc1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422679919 1194688635 /nfs/dbraw/zinc/68/86/35/1194688635.db2.gz XGYNZEKQIGPBSB-KGLIPLIRSA-N -1 0 379.388 0.899 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3[nH]ccc32)C1=O ZINC000422679795 1194688722 /nfs/dbraw/zinc/68/87/22/1194688722.db2.gz WOPHXOFHRCPSLH-CABCVRRESA-N -1 0 386.408 0.933 20 0 GCADRM Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1OCC(F)(F)F ZINC000422679952 1194688725 /nfs/dbraw/zinc/68/87/25/1194688725.db2.gz XIZSAJUHKQGFQM-CQSZACIVSA-N -1 0 378.303 0.826 20 0 GCADRM Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422679617 1194688784 /nfs/dbraw/zinc/68/87/84/1194688784.db2.gz VNFZNVDYTJJPHU-UONOGXRCSA-N -1 0 379.388 0.899 20 0 GCADRM 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ZINC000424393888 1194809847 /nfs/dbraw/zinc/80/98/47/1194809847.db2.gz RVLLRSHJDQCWOY-NSHDSACASA-N -1 0 394.409 0.355 20 0 GCADRM CCOC(=O)Cc1cccc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424375511 1194809870 /nfs/dbraw/zinc/80/98/70/1194809870.db2.gz AAXJINSCCRZGER-ZDUSSCGKSA-N -1 0 384.410 0.508 20 0 GCADRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1cccc2cccnc21 ZINC000424388334 1194810206 /nfs/dbraw/zinc/81/02/06/1194810206.db2.gz GZZOXAKRSBGFDO-LBPRGKRZSA-N -1 0 389.393 0.331 20 0 GCADRM COC(=O)c1cc(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(C)cc1C ZINC000424386052 1194810215 /nfs/dbraw/zinc/81/02/15/1194810215.db2.gz HFDAWQWAVQFSRL-ZDUSSCGKSA-N -1 0 384.410 0.806 20 0 GCADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccccc1OC(F)F ZINC000424389316 1194810522 /nfs/dbraw/zinc/81/05/22/1194810522.db2.gz HTDMZLBKLZPIAX-SSDOTTSWSA-N -1 0 390.324 0.243 20 0 GCADRM COC(=O)c1c(C)c(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1F ZINC000424390461 1194810530 /nfs/dbraw/zinc/81/05/30/1194810530.db2.gz NMSIJZMXMKIYHW-NSHDSACASA-N -1 0 388.373 0.636 20 0 GCADRM CCC(=O)c1cccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424389337 1194810540 /nfs/dbraw/zinc/81/05/40/1194810540.db2.gz HWJHVEUYJQFSRR-NSHDSACASA-N -1 0 380.382 0.234 20 0 GCADRM C[C@@H](COC1CCCC1)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424397656 1194810672 /nfs/dbraw/zinc/81/06/72/1194810672.db2.gz ZTAGQORCDFBARX-CMPLNLGQSA-N -1 0 388.446 0.178 20 0 GCADRM C[C@H](COC1CCCC1)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424397663 1194810686 /nfs/dbraw/zinc/81/06/86/1194810686.db2.gz ZTAGQORCDFBARX-ZYHUDNBSSA-N -1 0 388.446 0.178 20 0 GCADRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000424395230 1194810705 /nfs/dbraw/zinc/81/07/05/1194810705.db2.gz UXGKJGZNDBGBEO-GFCCVEGCSA-N -1 0 392.393 0.160 20 0 GCADRM CCC(CC)(CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(=O)[O-] ZINC000424419172 1194810706 /nfs/dbraw/zinc/81/07/06/1194810706.db2.gz ZWZMIRJDMDJUIO-UHFFFAOYSA-N -1 0 384.477 0.063 20 0 GCADRM C[C@@H](COC1CCCC1)CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424397658 1194810751 /nfs/dbraw/zinc/81/07/51/1194810751.db2.gz ZTAGQORCDFBARX-JQWIXIFHSA-N -1 0 388.446 0.178 20 0 GCADRM CC(C)(CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000424404097 1194811027 /nfs/dbraw/zinc/81/10/27/1194811027.db2.gz LHRWWJJYIJQLSA-CYBMUJFWSA-N -1 0 391.490 0.323 20 0 GCADRM CC(C)(CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000424404098 1194811114 /nfs/dbraw/zinc/81/11/14/1194811114.db2.gz LHRWWJJYIJQLSA-ZDUSSCGKSA-N -1 0 391.490 0.323 20 0 GCADRM COc1ccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1OCC(N)=O ZINC000424445748 1194812000 /nfs/dbraw/zinc/81/20/00/1194812000.db2.gz PCGBRZHQHPXWOH-UHFFFAOYSA-N -1 0 381.385 0.115 20 0 GCADRM CC(C)(CCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000424445277 1194812041 /nfs/dbraw/zinc/81/20/41/1194812041.db2.gz OIGKCOMHARSOJI-GFCCVEGCSA-N -1 0 389.408 0.447 20 0 GCADRM CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc21 ZINC000424447213 1194812281 /nfs/dbraw/zinc/81/22/81/1194812281.db2.gz UVGLXKSSDQQCQS-UHFFFAOYSA-N -1 0 388.424 0.943 20 0 GCADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424447617 1194812380 /nfs/dbraw/zinc/81/23/80/1194812380.db2.gz VWYSQPZIVCWDCT-UHFFFAOYSA-N -1 0 379.413 0.757 20 0 GCADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])c2ccccc2O1 ZINC000424432804 1194813055 /nfs/dbraw/zinc/81/30/55/1194813055.db2.gz CMFAJSAUMWQHDM-ZDUSSCGKSA-N -1 0 377.397 0.144 20 0 GCADRM CCOC(=O)c1nc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc(C(C)(C)C)n1 ZINC000424468625 1194814006 /nfs/dbraw/zinc/81/40/06/1194814006.db2.gz JVGITVJRKWBKDP-JTQLQIEISA-N -1 0 385.442 0.639 20 0 GCADRM Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C2=O)cc1 ZINC000424477338 1194814544 /nfs/dbraw/zinc/81/45/44/1194814544.db2.gz AZKWYKBZHSYAHH-OAHLLOKOSA-N -1 0 389.452 0.829 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C(=O)[O-] ZINC000424510258 1194815213 /nfs/dbraw/zinc/81/52/13/1194815213.db2.gz RQQWAMNOPUVJCZ-UHFFFAOYSA-N -1 0 380.420 0.877 20 0 GCADRM COc1ccccc1N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424482983 1194815574 /nfs/dbraw/zinc/81/55/74/1194815574.db2.gz OXNZZHQSPOUZDI-UHFFFAOYSA-N -1 0 377.441 0.961 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000424486166 1194816107 /nfs/dbraw/zinc/81/61/07/1194816107.db2.gz DYMUMBUJKDEWGS-UHFFFAOYSA-N -1 0 381.473 0.855 20 0 GCADRM COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCC2 ZINC000424489746 1194816409 /nfs/dbraw/zinc/81/64/09/1194816409.db2.gz RTRLBHZLDRQYSG-LSDHHAIUSA-N -1 0 394.472 0.886 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)CC1)C(=O)[O-] ZINC000424487226 1194816416 /nfs/dbraw/zinc/81/64/16/1194816416.db2.gz HJPGEZDKVJROLO-AWEZNQCLSA-N -1 0 381.473 0.997 20 0 GCADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)C(=O)[O-] ZINC000424490193 1194816627 /nfs/dbraw/zinc/81/66/27/1194816627.db2.gz UQYPYZKLRRGZIO-KBPBESRZSA-N -1 0 381.473 0.899 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000424492135 1194816808 /nfs/dbraw/zinc/81/68/08/1194816808.db2.gz ZSGMZDRORJUVKV-ZDUSSCGKSA-N -1 0 379.388 0.664 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1)C(=O)[O-] ZINC000424495737 1194817564 /nfs/dbraw/zinc/81/75/64/1194817564.db2.gz RRWLXZPDDJENBS-UHFFFAOYSA-N -1 0 375.425 0.869 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000424495286 1194817657 /nfs/dbraw/zinc/81/76/57/1194817657.db2.gz FZVYBTPPCGZDJA-UHFFFAOYSA-N -1 0 381.404 0.679 20 0 GCADRM C[C@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1c1ccccc1 ZINC000424500820 1194818531 /nfs/dbraw/zinc/81/85/31/1194818531.db2.gz LWEPCQKYIWAAFH-JSGCOSHPSA-N -1 0 375.425 0.914 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1)C(=O)[O-] ZINC000424502355 1194818626 /nfs/dbraw/zinc/81/86/26/1194818626.db2.gz NRHVMICAJLLMBU-LBPRGKRZSA-N -1 0 388.428 0.847 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1)C(=O)[O-] ZINC000424499700 1194818627 /nfs/dbraw/zinc/81/86/27/1194818627.db2.gz YQXHEKYMGZOWOH-UHFFFAOYSA-N -1 0 376.457 0.733 20 0 GCADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O ZINC000424505983 1194818701 /nfs/dbraw/zinc/81/87/01/1194818701.db2.gz SKHUYQHIDNKWNV-GFCCVEGCSA-N -1 0 391.424 0.534 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000424503270 1194818704 /nfs/dbraw/zinc/81/87/04/1194818704.db2.gz ORZUCJRSHOTHAY-AWEZNQCLSA-N -1 0 390.440 0.306 20 0 GCADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000424513841 1194820277 /nfs/dbraw/zinc/82/02/77/1194820277.db2.gz FCXPIOZOKLPIGC-ZIAGYGMSSA-N -1 0 375.425 0.771 20 0 GCADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000424513839 1194820511 /nfs/dbraw/zinc/82/05/11/1194820511.db2.gz FCXPIOZOKLPIGC-UONOGXRCSA-N -1 0 375.425 0.771 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC000424517775 1194821072 /nfs/dbraw/zinc/82/10/72/1194821072.db2.gz LUFBQEDEJXZWEJ-UHFFFAOYSA-N -1 0 384.454 0.714 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000424543145 1194822818 /nfs/dbraw/zinc/82/28/18/1194822818.db2.gz MCERDMGQTLKBRG-DXPJPUQTSA-N -1 0 380.466 0.653 20 0 GCADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000424607314 1194825973 /nfs/dbraw/zinc/82/59/73/1194825973.db2.gz ZYNRGBSXYAMQQT-LLVKDONJSA-N -1 0 384.389 0.906 20 0 GCADRM O=C([O-])COc1ccc(S(=O)(=O)N2CCC[C@H](n3ccnn3)C2)cc1F ZINC000424607316 1194826074 /nfs/dbraw/zinc/82/60/74/1194826074.db2.gz ZYNRGBSXYAMQQT-NSHDSACASA-N -1 0 384.389 0.906 20 0 GCADRM COc1cccc(S([O-])=CC(=O)NCCCn2nc3n(c2=O)CCCC3)c1 ZINC000424607774 1194826106 /nfs/dbraw/zinc/82/61/06/1194826106.db2.gz RLEROWMYQLLGGT-MHZLTWQESA-N -1 0 392.481 0.704 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(Cc3nnc(C)[nH]3)CC2)c1 ZINC000424673428 1194828284 /nfs/dbraw/zinc/82/82/84/1194828284.db2.gz JOMQGTHWONJXRL-SANMLTNESA-N -1 0 377.470 0.574 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC000424705802 1194828637 /nfs/dbraw/zinc/82/86/37/1194828637.db2.gz JXXGXAOFGQEAIG-AREMUKBSSA-N -1 0 376.438 0.412 20 0 GCADRM COc1ccc(NS(=O)(=O)c2ccc([O-])c(C(=O)NCC(N)=O)c2)cc1 ZINC000505380800 1194836448 /nfs/dbraw/zinc/83/64/48/1194836448.db2.gz BKICGTSGNRKTNW-UHFFFAOYSA-N -1 0 379.394 0.417 20 0 GCADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000434239747 1194838601 /nfs/dbraw/zinc/83/86/01/1194838601.db2.gz MOEAAJHDDNRNNK-UHFFFAOYSA-N -1 0 380.430 0.122 20 0 GCADRM C[C@](O)(CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)CN1CCOCC1 ZINC000434313739 1194839864 /nfs/dbraw/zinc/83/98/64/1194839864.db2.gz BASHTUOJTOJCBH-INIZCTEOSA-N -1 0 389.449 0.010 20 0 GCADRM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000434373774 1194842671 /nfs/dbraw/zinc/84/26/71/1194842671.db2.gz POTCRUATDZNQCP-LLVKDONJSA-N -1 0 394.391 0.784 20 0 GCADRM O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000434382472 1194842848 /nfs/dbraw/zinc/84/28/48/1194842848.db2.gz HPYGCQWLBOWVFJ-LLVKDONJSA-N -1 0 380.364 0.476 20 0 GCADRM Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1 ZINC000425094478 1194851990 /nfs/dbraw/zinc/85/19/90/1194851990.db2.gz UOUJQQRVEWSNSR-ZDUSSCGKSA-N -1 0 386.364 0.818 20 0 GCADRM COC(=O)C1(C)CN(C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000425162636 1194865654 /nfs/dbraw/zinc/86/56/54/1194865654.db2.gz NSFYWSDJFLGOLR-UHFFFAOYSA-N -1 0 386.426 0.710 20 0 GCADRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2OC)cn1 ZINC000435139723 1194893117 /nfs/dbraw/zinc/89/31/17/1194893117.db2.gz FKDHLTPOARNYGR-UHFFFAOYSA-N -1 0 382.398 0.824 20 0 GCADRM Cc1nc(C)n(C2CN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3[O-])C2)n1 ZINC000425295873 1194897725 /nfs/dbraw/zinc/89/77/25/1194897725.db2.gz QPOSJPHXXVOXBT-UHFFFAOYSA-N -1 0 379.442 0.548 20 0 GCADRM Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3C(=O)[O-])CCO2)n1 ZINC000514726074 1194898363 /nfs/dbraw/zinc/89/83/63/1194898363.db2.gz XOCYOLCFJUYXGT-CQSZACIVSA-N -1 0 394.453 0.991 20 0 GCADRM CNC(=O)[C@]1(C)CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000435263557 1194908371 /nfs/dbraw/zinc/90/83/71/1194908371.db2.gz QPKFJVVSKKYYGI-QGZVFWFLSA-N -1 0 399.469 0.674 20 0 GCADRM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C)o1 ZINC000514863913 1194922847 /nfs/dbraw/zinc/92/28/47/1194922847.db2.gz YBHHETQVZWIFJN-SNVBAGLBSA-N -1 0 397.413 0.263 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C[C@@H](C)S1(=O)=O ZINC000515053302 1194942334 /nfs/dbraw/zinc/94/23/34/1194942334.db2.gz KZJVEJOZJOCWSK-IPJQOSJUSA-N -1 0 386.470 0.124 20 0 GCADRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)[nH]n1 ZINC000515109571 1194946687 /nfs/dbraw/zinc/94/66/87/1194946687.db2.gz JFULRWYXERPYHV-UHFFFAOYSA-N -1 0 396.381 0.727 20 0 GCADRM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)CC1 ZINC000435703377 1194957648 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COc1ccccc1/C=C/C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001180528386 1205825692 /nfs/dbraw/zinc/82/56/92/1205825692.db2.gz DYPWYHLRHRHWEO-ZTVUPKSFSA-N -1 0 381.370 0.071 20 0 GCADRM Cc1ccccc1O[C@@H](C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001180526709 1205825764 /nfs/dbraw/zinc/82/57/64/1205825764.db2.gz OMKDQXCQXONOIM-ZFWWWQNUSA-N -1 0 388.424 0.804 20 0 GCADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)CCn1ccc2ccccc21 ZINC001180664874 1205829671 /nfs/dbraw/zinc/82/96/71/1205829671.db2.gz CPOAVLIRZDNCLV-UHFFFAOYSA-N -1 0 392.397 0.394 20 0 GCADRM COCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]C(=O)OC)cc2)CC1=O ZINC001180891196 1205833968 /nfs/dbraw/zinc/83/39/68/1205833968.db2.gz KKXFXQWLJVFBSO-LLVKDONJSA-N -1 0 399.425 0.165 20 0 GCADRM CC(C)(C)OC(=O)NCCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000773885269 1205834991 /nfs/dbraw/zinc/83/49/91/1205834991.db2.gz QUWSVWRTLNCNAD-UHFFFAOYSA-N -1 0 393.412 0.884 20 0 GCADRM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCS(=O)(=O)[O-] ZINC001180984760 1205837032 /nfs/dbraw/zinc/83/70/32/1205837032.db2.gz UALSRFXMXKEHIE-JTQLQIEISA-N -1 0 381.451 0.004 20 0 GCADRM CCOC(=O)c1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)c[nH]1 ZINC001181039954 1205837347 /nfs/dbraw/zinc/83/73/47/1205837347.db2.gz MUGPNCVCCMZGHX-SNVBAGLBSA-N -1 0 384.389 0.981 20 0 GCADRM CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[P@@](=O)([O-])O ZINC001181047045 1205837867 /nfs/dbraw/zinc/83/78/67/1205837867.db2.gz XIHDWFCQVYUGIZ-SNVBAGLBSA-N -1 0 382.350 0.517 20 0 GCADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CCc1c[nH]c2ncccc12 ZINC001181037482 1205838215 /nfs/dbraw/zinc/83/82/15/1205838215.db2.gz RJWYOSRZRRKSFB-HNNXBMFYSA-N -1 0 398.423 0.537 20 0 GCADRM CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001181170784 1205839853 /nfs/dbraw/zinc/83/98/53/1205839853.db2.gz SJEPDMZQGBSEPB-UBHSHLNASA-N -1 0 397.453 0.349 20 0 GCADRM CC(C)(C)OC(=O)NCCOCCOCC(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001181149225 1205839979 /nfs/dbraw/zinc/83/99/79/1205839979.db2.gz OZQKBNFOSMFLDA-UHFFFAOYSA-N -1 0 395.416 0.457 20 0 GCADRM NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000773905045 1205840175 /nfs/dbraw/zinc/84/01/75/1205840175.db2.gz YRGCZSABGAGFIE-UHFFFAOYSA-N -1 0 390.417 0.994 20 0 GCADRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)Cc2nc3ncccn3n2)cc1 ZINC000773922109 1205844113 /nfs/dbraw/zinc/84/41/13/1205844113.db2.gz RGLWREHUYKXKOU-UHFFFAOYSA-N -1 0 375.410 0.959 20 0 GCADRM C[C@H]1[C@H](NC(=O)C23CC(C2)CCN3Cc2ccccc2)C(=O)N1S(=O)(=O)[O-] ZINC001181491989 1205845054 /nfs/dbraw/zinc/84/50/54/1205845054.db2.gz QJBKLXKYARJPGV-MNSPSGFLSA-N -1 0 393.465 0.559 20 0 GCADRM N=C(NC(=O)[C@H]1CN(Cc2ccccc2)CC1=O)SCCS(=O)(=O)[O-] ZINC001181571299 1205846844 /nfs/dbraw/zinc/84/68/44/1205846844.db2.gz KGSRNNKUTQEOHM-LBPRGKRZSA-N -1 0 385.467 0.359 20 0 GCADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c(C)c1 ZINC000773934938 1205847928 /nfs/dbraw/zinc/84/79/28/1205847928.db2.gz DRVPBVSCQOMCTO-UHFFFAOYSA-N -1 0 388.405 0.770 20 0 GCADRM CCCn1c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CCN(C)C3=O)cc2[nH]c1=O ZINC000773942314 1205849320 /nfs/dbraw/zinc/84/93/20/1205849320.db2.gz DESWPNUJQRKPCE-NSHDSACASA-N -1 0 380.426 0.435 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](F)C1 ZINC001181770338 1205849609 /nfs/dbraw/zinc/84/96/09/1205849609.db2.gz ICKKVZYXJCCFLU-QWRGUYRKSA-N -1 0 387.412 0.933 20 0 GCADRM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001181863445 1205851371 /nfs/dbraw/zinc/85/13/71/1205851371.db2.gz UTYUSUBHHXVJCP-QMMMGPOBSA-N -1 0 395.459 0.584 20 0 GCADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC001182099611 1205857221 /nfs/dbraw/zinc/85/72/21/1205857221.db2.gz BZPPYASGLLZFMV-AAEUAGOBSA-N -1 0 386.426 0.364 20 0 GCADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC2CC(=O)NC(=O)C2)cc1 ZINC001182172774 1205857554 /nfs/dbraw/zinc/85/75/54/1205857554.db2.gz YYRMYLSNMNULKU-UHFFFAOYSA-N -1 0 383.382 0.113 20 0 GCADRM C[C@]1(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])CC1(Cl)Cl ZINC001182144477 1205857995 /nfs/dbraw/zinc/85/79/95/1205857995.db2.gz VZFLKIQQDUCTLW-TVQRCGJNSA-N -1 0 377.228 0.612 20 0 GCADRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000773997748 1205859180 /nfs/dbraw/zinc/85/91/80/1205859180.db2.gz GSUINUPGILFAAU-AAEUAGOBSA-N -1 0 397.480 0.427 20 0 GCADRM C[C@@H](CN(C)C(=O)CCNS(=O)(=O)C=Cc1ccccc1)c1nnn[n-]1 ZINC000773998958 1205859351 /nfs/dbraw/zinc/85/93/51/1205859351.db2.gz DOZSQEQNRLQZNR-STRFDMGBSA-N -1 0 378.458 0.742 20 0 GCADRM CCOC(=O)[C@](C)(O)CNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000774018364 1205859967 /nfs/dbraw/zinc/85/99/67/1205859967.db2.gz SZMFYBDBIGAFCE-CYBMUJFWSA-N -1 0 398.359 0.992 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H]1CO[N-]C1=O)C1CCC2(CC1)OCCO2 ZINC001182195584 1205860133 /nfs/dbraw/zinc/86/01/33/1205860133.db2.gz MBJRGLZYKOEQRL-CHWSQXEVSA-N -1 0 399.444 0.359 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)/C=C/c2cnc(OC)nc2)c1 ZINC000774030719 1205860351 /nfs/dbraw/zinc/86/03/51/1205860351.db2.gz NRPIKWJCZMRCSE-VOTSOKGWSA-N -1 0 377.378 0.790 20 0 GCADRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)Cn2ccc(C)cc2=O)cc1 ZINC000774068961 1205861556 /nfs/dbraw/zinc/86/15/56/1205861556.db2.gz WCRODVDOCIKAOM-UHFFFAOYSA-N -1 0 378.406 0.590 20 0 GCADRM COc1ncc(/C=C/C(=O)[N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cn1 ZINC000774092755 1205861894 /nfs/dbraw/zinc/86/18/94/1205861894.db2.gz CMOCFJGWFRVSDF-BQYQJAHWSA-N -1 0 390.421 0.705 20 0 GCADRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000774097921 1205862109 /nfs/dbraw/zinc/86/21/09/1205862109.db2.gz UQPXISOMHUBOSZ-LSDHHAIUSA-N -1 0 382.438 0.880 20 0 GCADRM COc1ncc(/C=C\C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000774102297 1205862139 /nfs/dbraw/zinc/86/21/39/1205862139.db2.gz VJSFKOWGJYPHTI-BAQGIRSFSA-N -1 0 397.434 0.407 20 0 GCADRM COCCOCCS(=O)(=O)[N-]C(=O)Cn1cc(-c2ccccc2)c(C)n1 ZINC000774142678 1205862646 /nfs/dbraw/zinc/86/26/46/1205862646.db2.gz NPECQRISFSEBIO-UHFFFAOYSA-N -1 0 381.454 0.968 20 0 GCADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001182279791 1205862711 /nfs/dbraw/zinc/86/27/11/1205862711.db2.gz JOHLHNJLYLNUDM-JGVFFNPUSA-N -1 0 383.361 0.292 20 0 GCADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1C[C@H]1c1ccccc1F ZINC001182279793 1205863051 /nfs/dbraw/zinc/86/30/51/1205863051.db2.gz JOHLHNJLYLNUDM-YUMQZZPRSA-N -1 0 383.361 0.292 20 0 GCADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccnn2C)nnn1Cc1ccc(F)cc1 ZINC000774212392 1205865258 /nfs/dbraw/zinc/86/52/58/1205865258.db2.gz WVBKBIGVMYSKEO-UHFFFAOYSA-N -1 0 378.389 0.626 20 0 GCADRM COc1c(S(=O)(=O)[N-]C(=O)c2ccc(NC(C)=O)c(F)c2)c(C)nn1C ZINC000774226656 1205866536 /nfs/dbraw/zinc/86/65/36/1205866536.db2.gz RFIHORMIBYVWGB-UHFFFAOYSA-N -1 0 384.389 0.953 20 0 GCADRM C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)[N-]S(=O)(=O)C2CCC2)C1=O ZINC000774287741 1205869112 /nfs/dbraw/zinc/86/91/12/1205869112.db2.gz HNCXMZFMTVOLFK-MRXNPFEDSA-N -1 0 383.401 0.591 20 0 GCADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC001182459872 1205872993 /nfs/dbraw/zinc/87/29/93/1205872993.db2.gz WERGIBNCFOPLLU-LBPRGKRZSA-N -1 0 395.437 0.928 20 0 GCADRM CS(=O)(=O)c1nc(NC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)n[n-]1 ZINC001182511036 1205875075 /nfs/dbraw/zinc/87/50/75/1205875075.db2.gz VAFCMEATONONTJ-NSHDSACASA-N -1 0 387.425 0.668 20 0 GCADRM O=C(COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)N[C@H](CO)C(F)(F)F ZINC001182551338 1205875430 /nfs/dbraw/zinc/87/54/30/1205875430.db2.gz HMDBXCGRDPSXCH-GHMZBOCLSA-N -1 0 392.355 0.999 20 0 GCADRM O=C(COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)N[C@@H](CO)C(F)(F)F ZINC001182551340 1205875495 /nfs/dbraw/zinc/87/54/95/1205875495.db2.gz HMDBXCGRDPSXCH-QWRGUYRKSA-N -1 0 392.355 0.999 20 0 GCADRM CN1C[C@H](CNC(=O)COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)CC1=O ZINC001182550451 1205875586 /nfs/dbraw/zinc/87/55/86/1205875586.db2.gz QNKHCDOFZWFEQB-GXTWGEPZSA-N -1 0 391.449 0.554 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1nnn[n-]1 ZINC001182527058 1205875656 /nfs/dbraw/zinc/87/56/56/1205875656.db2.gz FRRDNLPBOIKDKP-RYUDHWBXSA-N -1 0 393.448 0.206 20 0 GCADRM COCCOC1CN(C(=O)COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)C1 ZINC001182547890 1205876377 /nfs/dbraw/zinc/87/63/77/1205876377.db2.gz KIQWIGQABOYLQN-HNNXBMFYSA-N -1 0 394.449 0.833 20 0 GCADRM O=C(COc1ccc(C[C@H]2SC(=O)NC2=O)cc1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001182545887 1205876434 /nfs/dbraw/zinc/87/64/34/1205876434.db2.gz CAOCDGWJZBSGQA-DZGCQCFKSA-N -1 0 375.450 0.876 20 0 GCADRM CO[C@@H]1COCC[C@H]1NC(=O)COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001182549071 1205876778 /nfs/dbraw/zinc/87/67/78/1205876778.db2.gz CALZYWFWLQCBEA-KFWWJZLASA-N -1 0 394.449 0.880 20 0 GCADRM Cc1[nH]c2ncccc2c1CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001182617212 1205877879 /nfs/dbraw/zinc/87/78/79/1205877879.db2.gz AZUVSLFJVVRRDN-HNNXBMFYSA-N -1 0 398.423 0.455 20 0 GCADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000774546381 1205879770 /nfs/dbraw/zinc/87/97/70/1205879770.db2.gz UPXFYGHHMCFFQS-GOSISDBHSA-N -1 0 393.465 0.916 20 0 GCADRM CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1 ZINC000774552968 1205881764 /nfs/dbraw/zinc/88/17/64/1205881764.db2.gz LGRIHBXWVPFQIR-MRXNPFEDSA-N -1 0 395.481 0.322 20 0 GCADRM O=C(CC[C@@H]1NC(=S)N(c2ccccc2)C1=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001182858247 1205881913 /nfs/dbraw/zinc/88/19/13/1205881913.db2.gz RMWLLEDKDXPIEZ-JOYOIKCWSA-N -1 0 378.435 0.482 20 0 GCADRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C(=O)c1ccc(Cl)cc1 ZINC001182897708 1205882911 /nfs/dbraw/zinc/88/29/11/1205882911.db2.gz BRUPKTUIDRLOGE-ZDUSSCGKSA-N -1 0 392.799 0.564 20 0 GCADRM CN(C)c1nc(NC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C)c(N=O)c(=O)[nH]1 ZINC001182946446 1205883334 /nfs/dbraw/zinc/88/33/34/1205883334.db2.gz QDMHPXBIEYCTBQ-QMMMGPOBSA-N -1 0 384.393 0.812 20 0 GCADRM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)CC1 ZINC000774620967 1205891556 /nfs/dbraw/zinc/89/15/56/1205891556.db2.gz IGWPADPNJQMZGZ-UHFFFAOYSA-N -1 0 380.430 0.698 20 0 GCADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001183350847 1205891648 /nfs/dbraw/zinc/89/16/48/1205891648.db2.gz BXHBBVKNTPPLSJ-UHFFFAOYSA-N -1 0 396.360 0.212 20 0 GCADRM CS(=O)(=O)CCNC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183423780 1205892154 /nfs/dbraw/zinc/89/21/54/1205892154.db2.gz WWSQZURHQAWGPM-UHFFFAOYSA-N -1 0 385.829 0.484 20 0 GCADRM CCNC(=O)CN(C)C(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183423168 1205892159 /nfs/dbraw/zinc/89/21/59/1205892159.db2.gz OSFHJUSKTZGGTQ-UHFFFAOYSA-N -1 0 378.816 0.918 20 0 GCADRM O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])NC[C@@H]1CNC(=O)C1 ZINC001183425544 1205892297 /nfs/dbraw/zinc/89/22/97/1205892297.db2.gz JLHTVLGAJHXECO-VIFPVBQESA-N -1 0 376.800 0.576 20 0 GCADRM C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1nc(Cl)c2ccccc2c1[O-] ZINC001183426835 1205892301 /nfs/dbraw/zinc/89/23/01/1205892301.db2.gz XQBLQJKIXVPIGO-VIFPVBQESA-N -1 0 376.800 0.671 20 0 GCADRM O=C(CNC(=O)c1nc(Cl)c2ccccc2c1[O-])N1CC[C@@H](O)[C@H](CO)C1 ZINC001183425566 1205892365 /nfs/dbraw/zinc/89/23/65/1205892365.db2.gz QTNDDBBYCUITJI-GXFFZTMASA-N -1 0 393.827 0.525 20 0 GCADRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cnn(-c4ccccc4)n3)cnc21 ZINC000774627471 1205892416 /nfs/dbraw/zinc/89/24/16/1205892416.db2.gz QLVGLUZHYQLBFF-UHFFFAOYSA-N -1 0 399.392 0.416 20 0 GCADRM COC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2=C[C@](C)(O)C=C[C@@H]2O)cc1 ZINC001183542988 1205894664 /nfs/dbraw/zinc/89/46/64/1205894664.db2.gz SKXZOTJZIYKAJZ-XJKSGUPXSA-N -1 0 382.394 0.278 20 0 GCADRM N=C(NC(=O)CCN1C(=O)Cc2ccccc2C1=O)SCCS(=O)(=O)[O-] ZINC001183530595 1205894970 /nfs/dbraw/zinc/89/49/70/1205894970.db2.gz UTHQQUPVLIHAMZ-UHFFFAOYSA-N -1 0 399.450 0.274 20 0 GCADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)NCc1cc(-c2ccc3c(c2)OCO3)no1 ZINC001183666362 1205897047 /nfs/dbraw/zinc/89/70/47/1205897047.db2.gz PUVSYYDRJRLBHK-UHFFFAOYSA-N -1 0 388.311 0.788 20 0 GCADRM O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001183656732 1205897869 /nfs/dbraw/zinc/89/78/69/1205897869.db2.gz JXQOZSVKOZWPCC-WCQYABFASA-N -1 0 393.444 0.668 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)n1[n-]c2ccnc(=O)c-2c1N ZINC001183858628 1205901607 /nfs/dbraw/zinc/90/16/07/1205901607.db2.gz IOBWFRIRLUQRQP-SNVBAGLBSA-N -1 0 377.401 0.925 20 0 GCADRM O=C([O-])COc1ccc(OCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC001183903082 1205902143 /nfs/dbraw/zinc/90/21/43/1205902143.db2.gz LTVQOBMSELGWSK-INIZCTEOSA-N -1 0 392.408 0.379 20 0 GCADRM CN1C(=O)CC[C@@H]2CN(C(=O)COc3ccc(OCC(=O)[O-])cc3)CC[C@H]21 ZINC001183906477 1205902607 /nfs/dbraw/zinc/90/26/07/1205902607.db2.gz NKLRRLZNEPXYHL-CZUORRHYSA-N -1 0 376.409 0.998 20 0 GCADRM Cc1ccnc(N2CCN(C(=O)COc3ccc(OCC(=O)[O-])cc3)CC2)n1 ZINC001183905986 1205902625 /nfs/dbraw/zinc/90/26/25/1205902625.db2.gz LIZWMOGKFZIXHH-UHFFFAOYSA-N -1 0 386.408 0.976 20 0 GCADRM C[C@@H]1CN(C2CN(C(=O)COc3ccc(OCC(=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC001183907013 1205902650 /nfs/dbraw/zinc/90/26/50/1205902650.db2.gz RMZLSQVVQTYHBH-ZIAGYGMSSA-N -1 0 378.425 0.849 20 0 GCADRM NC(=O)c1ccccc1OCCNC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183911043 1205902905 /nfs/dbraw/zinc/90/29/05/1205902905.db2.gz CVNBMQCOERISJQ-UHFFFAOYSA-N -1 0 388.376 0.823 20 0 GCADRM Cc1cccc2ccn(CC(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)c21 ZINC001184193861 1205906241 /nfs/dbraw/zinc/90/62/41/1205906241.db2.gz PMHXAXFERZVUDW-UHFFFAOYSA-N -1 0 392.397 0.312 20 0 GCADRM CN(C)c1cccc2c1cccc2S(=O)(=O)NCC(=O)NCc1nnn[n-]1 ZINC001184235200 1205906822 /nfs/dbraw/zinc/90/68/22/1205906822.db2.gz BDKBUGPMWIJWEP-UHFFFAOYSA-N -1 0 389.441 0.014 20 0 GCADRM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001184414824 1205909758 /nfs/dbraw/zinc/90/97/58/1205909758.db2.gz OJTBKAAMJLMKEI-OCCSQVGLSA-N -1 0 378.772 0.523 20 0 GCADRM O=C(Cn1c(=O)[nH]c2cc(F)ccc21)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001184518355 1205911214 /nfs/dbraw/zinc/91/12/14/1205911214.db2.gz PFZMZZVYGHJTCC-UHFFFAOYSA-N -1 0 390.352 0.952 20 0 GCADRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1oc(I)nc1C ZINC001184654446 1205912599 /nfs/dbraw/zinc/91/25/99/1205912599.db2.gz MQYDRZIRWKIOHT-LURJTMIESA-N -1 0 396.137 0.724 20 0 GCADRM Cc1ccc(S(=O)(=O)NCc2ccc(S(C)(=O)=O)cn2)cc1C(=O)[O-] ZINC001184709850 1205912835 /nfs/dbraw/zinc/91/28/35/1205912835.db2.gz YWGHNQPCJWBSRF-UHFFFAOYSA-N -1 0 384.435 0.970 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1C(=O)[O-] ZINC001184717679 1205912947 /nfs/dbraw/zinc/91/29/47/1205912947.db2.gz PYZUSPRHNXNTRA-HNNXBMFYSA-N -1 0 384.454 0.855 20 0 GCADRM Cc1ccc(S(=O)(=O)NCCOCCOCCOCCO)cc1C(=O)[O-] ZINC001184710975 1205912955 /nfs/dbraw/zinc/91/29/55/1205912955.db2.gz LKKQHZALLCBLEL-UHFFFAOYSA-N -1 0 391.442 0.014 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)CCN3C)cc1C(=O)[O-] ZINC001184678570 1205913023 /nfs/dbraw/zinc/91/30/23/1205913023.db2.gz VGKGNHVLZSSOLG-UHFFFAOYSA-N -1 0 395.481 0.620 20 0 GCADRM Cc1ccc(S(=O)(=O)N2Cc3cn(S(C)(=O)=O)nc3C2)cc1C(=O)[O-] ZINC001184687485 1205913254 /nfs/dbraw/zinc/91/32/54/1205913254.db2.gz URQIUXGLRNXFQQ-UHFFFAOYSA-N -1 0 385.423 0.402 20 0 GCADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CCCN2CCOCC2)nc1C ZINC001184914049 1205914627 /nfs/dbraw/zinc/91/46/27/1205914627.db2.gz IPTVGWMTJOKWBT-UHFFFAOYSA-N -1 0 377.488 0.629 20 0 GCADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CC2(C(N)=O)CCOCC2)nc1C ZINC001184966426 1205915052 /nfs/dbraw/zinc/91/50/52/1205915052.db2.gz QAFHCDVDCQVUOM-UHFFFAOYSA-N -1 0 391.471 0.189 20 0 GCADRM CCOC(=O)c1sc(S(=O)(=O)[N-]CC2(N3CCCC3)COC2)nc1C ZINC001184978144 1205915287 /nfs/dbraw/zinc/91/52/87/1205915287.db2.gz PRTLXEBBZYLOCU-UHFFFAOYSA-N -1 0 389.499 0.771 20 0 GCADRM C[C@@H](Cc1ccccc1)c1cc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)[nH]n1 ZINC001185016274 1205915494 /nfs/dbraw/zinc/91/54/94/1205915494.db2.gz TZPBHNXJGFEUDT-PGUXBMHVSA-N -1 0 392.437 0.888 20 0 GCADRM CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cnc(Cl)nc2)c1 ZINC001185050618 1205915809 /nfs/dbraw/zinc/91/58/09/1205915809.db2.gz KHGMWJRDWQRZBS-UHFFFAOYSA-N -1 0 392.846 0.887 20 0 GCADRM CCOC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCN(C(=O)C3CC3)C2)nc1C ZINC001184987081 1205915834 /nfs/dbraw/zinc/91/58/34/1205915834.db2.gz SJPAJMNOIMFAIY-NSHDSACASA-N -1 0 387.483 0.917 20 0 GCADRM CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)c1nc(SC)ncc1[O-])CC2 ZINC001185165755 1205917393 /nfs/dbraw/zinc/91/73/93/1205917393.db2.gz BJGXRAWRLPQIPR-NSHDSACASA-N -1 0 396.469 0.430 20 0 GCADRM CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)c1nc(SC)ncc1[O-])CC2 ZINC001185165752 1205917440 /nfs/dbraw/zinc/91/74/40/1205917440.db2.gz BJGXRAWRLPQIPR-LLVKDONJSA-N -1 0 396.469 0.430 20 0 GCADRM CSc1ncc([O-])c(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)n1 ZINC001185166866 1205917448 /nfs/dbraw/zinc/91/74/48/1205917448.db2.gz KRACMWPZTGJASN-NQBHXWOUSA-N -1 0 380.470 0.860 20 0 GCADRM CCOC(=O)c1cnc2n1CCN(C(=O)c1nc(SC)ncc1[O-])CC2 ZINC001185177461 1205917547 /nfs/dbraw/zinc/91/75/47/1205917547.db2.gz WQLSHAVASGNDOY-UHFFFAOYSA-N -1 0 377.426 0.976 20 0 GCADRM CSc1ncc([O-])c(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)n1 ZINC001185187884 1205917599 /nfs/dbraw/zinc/91/75/99/1205917599.db2.gz NCLJKSMJLIPFIF-UHFFFAOYSA-N -1 0 390.421 0.494 20 0 GCADRM COCCOCCOCCOCCNC(=O)c1nc(SC)ncc1[O-] ZINC001185188198 1205917626 /nfs/dbraw/zinc/91/76/26/1205917626.db2.gz VVEZGOHIQAQXNN-UHFFFAOYSA-N -1 0 375.447 0.330 20 0 GCADRM CSc1ncc([O-])c(C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)n1 ZINC001185176168 1205917688 /nfs/dbraw/zinc/91/76/88/1205917688.db2.gz FWDAAOGPNRJBRK-IJLUTSLNSA-N -1 0 378.454 0.660 20 0 GCADRM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC001185240312 1205918685 /nfs/dbraw/zinc/91/86/85/1205918685.db2.gz GUZRIZOUGFHAPD-UHFFFAOYSA-N -1 0 383.879 0.908 20 0 GCADRM COC(=O)C1(CNS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CCOCC1 ZINC001185260359 1205919753 /nfs/dbraw/zinc/91/97/53/1205919753.db2.gz ACDBWJXEDJVWKR-UHFFFAOYSA-N -1 0 387.410 0.642 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)F)CC2)cc1C(=O)[O-] ZINC001185277812 1205920393 /nfs/dbraw/zinc/92/03/93/1205920393.db2.gz JUZSBJQQNDMEGY-UHFFFAOYSA-N -1 0 396.343 0.789 20 0 GCADRM COC(=O)[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)C2 ZINC001185282873 1205920595 /nfs/dbraw/zinc/92/05/95/1205920595.db2.gz NMKOMDVHMVTGJQ-QFYYESIMSA-N -1 0 385.394 0.204 20 0 GCADRM COc1ccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2CO)cc1C(=O)[O-] ZINC001185300687 1205920905 /nfs/dbraw/zinc/92/09/05/1205920905.db2.gz VSQNOUQQRRMSEI-GFCCVEGCSA-N -1 0 381.410 0.545 20 0 GCADRM COc1ccc(S(=O)(=O)N2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC001185304405 1205920992 /nfs/dbraw/zinc/92/09/92/1205920992.db2.gz YZDVFBFRFBUICH-TXEJJXNPSA-N -1 0 384.454 0.876 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccncn3)C2)cc1C(=O)[O-] ZINC001185332777 1205921597 /nfs/dbraw/zinc/92/15/97/1205921597.db2.gz UYYRWIBSENMVLP-LLVKDONJSA-N -1 0 378.410 0.741 20 0 GCADRM O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCc1n[nH]c(=O)[n-]1 ZINC000774876148 1205922204 /nfs/dbraw/zinc/92/22/04/1205922204.db2.gz QQJDYCLKSKDHEO-UHFFFAOYSA-N -1 0 398.397 0.083 20 0 GCADRM O=S(=O)([N-]c1nccnc1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185566531 1205924161 /nfs/dbraw/zinc/92/41/61/1205924161.db2.gz PNMBOYJQCPLCAU-UHFFFAOYSA-N -1 0 388.413 0.294 20 0 GCADRM NC(=O)c1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185565531 1205924195 /nfs/dbraw/zinc/92/41/95/1205924195.db2.gz BZLVVDMZTZCSID-UHFFFAOYSA-N -1 0 379.789 0.815 20 0 GCADRM O=C(OCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000774909699 1205926240 /nfs/dbraw/zinc/92/62/40/1205926240.db2.gz UJBKJIZTPQCNOO-SNVBAGLBSA-N -1 0 384.389 0.794 20 0 GCADRM CN(CC(=O)Nc1cn2cc(C(F)(F)F)ccc2n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652798 1205926561 /nfs/dbraw/zinc/92/65/61/1205926561.db2.gz BVZKFTURFDPJAO-UHFFFAOYSA-N -1 0 394.250 0.840 20 0 GCADRM COc1ccc(Br)c(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])n1 ZINC001185654476 1205926563 /nfs/dbraw/zinc/92/65/63/1205926563.db2.gz PLNWHOHXDAVNSC-UHFFFAOYSA-N -1 0 396.138 0.340 20 0 GCADRM CCOc1ccccc1N1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185653419 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COC(=O)[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc2c(c1)CCO2 ZINC001593811035 954938580 /nfs/dbraw/zinc/93/85/80/954938580.db2.gz MBNOFEVKBODJIA-CZUORRHYSA-N -1 0 390.392 0.275 20 0 GCADRM COC(=O)C1(C2(O)CCN(C(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)CC2)CCC1 ZINC001593813366 954969850 /nfs/dbraw/zinc/96/98/50/954969850.db2.gz FPCGZCJOOPVQAQ-KGLIPLIRSA-N -1 0 383.441 0.953 20 0 GCADRM COC(=O)[C@]1(N2CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)CCOC1 ZINC001593813605 954974629 /nfs/dbraw/zinc/97/46/29/954974629.db2.gz GSHUEIAYQMKLOA-IBGZPJMESA-N -1 0 376.409 0.404 20 0 GCADRM COC(=O)C1([C@@]2(O)CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)CCC1 ZINC001593814350 954985913 /nfs/dbraw/zinc/98/59/13/954985913.db2.gz QZGFDYPRJDWMLR-LJQANCHMSA-N -1 0 398.456 0.748 20 0 GCADRM COC(=O)[C@]1(N2CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC2)CCOC1 ZINC001593814492 954986556 /nfs/dbraw/zinc/98/65/56/954986556.db2.gz OAVGTAALHZEGLQ-KDOFPFPSSA-N -1 0 385.461 0.393 20 0 GCADRM O=C([O-])[C@@H]1COCCN1C(=O)Cn1nc(Br)c(Br)n1 ZINC001594957838 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O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(CNc2ccncn2)c1 ZINC001594962332 955023859 /nfs/dbraw/zinc/02/38/59/955023859.db2.gz RIVAFYXFEXLSHN-CQSZACIVSA-N -1 0 390.421 0.413 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC001594962790 955026327 /nfs/dbraw/zinc/02/63/27/955026327.db2.gz VWDUKVOTRXIEET-ZDUSSCGKSA-N -1 0 385.348 0.474 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)/C=C/c1cnc(OC)nc1)C[C@@H]2C(=O)[O-] ZINC001593820112 955026388 /nfs/dbraw/zinc/02/63/88/955026388.db2.gz IRZJAKVHYXOZIK-WEMPYVNHSA-N -1 0 375.381 0.611 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1C[C@H]3CCCCN3C1=O)C[C@H]2C(=O)[O-] ZINC001593820273 955028562 /nfs/dbraw/zinc/02/85/62/955028562.db2.gz BHAMKYLLGARONI-IIBOHBAJSA-N -1 0 393.440 0.435 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC001594963215 955029111 /nfs/dbraw/zinc/02/91/11/955029111.db2.gz ZAMUNGRZDQWEIZ-ZDUSSCGKSA-N -1 0 376.394 0.544 20 0 GCADRM CCC(CC)(CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C(=O)[O-] ZINC001589500358 955029995 /nfs/dbraw/zinc/02/99/95/955029995.db2.gz LUZACABNJWPIBS-GFCCVEGCSA-N -1 0 386.470 0.967 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(=O)C3CC3)C1)C[C@@H]2C(=O)[O-] ZINC001593820678 955032291 /nfs/dbraw/zinc/03/22/91/955032291.db2.gz MHJPMCZFSRNZRR-MGVZARIASA-N -1 0 392.452 0.747 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cnc3ccc(C)cn3c1=O)C[C@H]2C(=O)[O-] ZINC001593820746 955033764 /nfs/dbraw/zinc/03/37/64/955033764.db2.gz SDCPOKLJLNEACF-JGOZLAPISA-N -1 0 399.403 0.729 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](OC)C(=O)[O-])C[C@@H]2C(=O)OC(C)(C)C ZINC001593820692 955034014 /nfs/dbraw/zinc/03/40/14/955034014.db2.gz MJKFZEPZPAFUDM-CQHYGJOFSA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(=O)c1ccsc1)C[C@@H]2C(=O)[O-] ZINC001593820853 955036052 /nfs/dbraw/zinc/03/60/52/955036052.db2.gz GJBFMHWUBFKMIQ-VMBJYNEYSA-N -1 0 380.422 0.590 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1ncc(=O)c3ccccc31)C[C@H]2C(=O)[O-] ZINC001593821054 955036880 /nfs/dbraw/zinc/03/68/80/955036880.db2.gz GXLMJKNDLOEOQL-JGOZLAPISA-N -1 0 399.403 0.509 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cc(OC(F)F)n(C)n1)C[C@H]2C(=O)[O-] ZINC001593821288 955040827 /nfs/dbraw/zinc/04/08/27/955040827.db2.gz ZFPRQMDNOGCRMH-OYNLBEDRSA-N -1 0 387.339 0.748 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](C)N(C)CC(F)(F)F)C[C@@H]2C(=O)[O-] ZINC001593821478 955041857 /nfs/dbraw/zinc/04/18/57/955041857.db2.gz SAGOTCKKFPRRMQ-GPZIFOQPSA-N -1 0 380.363 0.981 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](C)Cn1cccn1)C[C@H]2C(=O)[O-] ZINC001593821505 955041912 /nfs/dbraw/zinc/04/19/12/955041912.db2.gz KESGTHDYIQGVMT-FMHYQEOESA-N -1 0 378.429 0.815 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(=O)NC1CCCCC1)C[C@H]2C(=O)[O-] ZINC001593821564 955043016 /nfs/dbraw/zinc/04/30/16/955043016.db2.gz LUBYPFYURUYYMR-MMSRSVNZSA-N -1 0 395.456 0.731 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CNC(=O)OCC(F)(F)F)C[C@H]2C(=O)[O-] ZINC001593821781 955046853 /nfs/dbraw/zinc/04/68/53/955046853.db2.gz 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ZINC001574049174 962149407 /nfs/dbraw/zinc/14/94/07/962149407.db2.gz VTVNUDKBXVKYJD-LFBZESBLSA-N -1 0 390.392 0.682 20 0 GCADRM O=C([O-])C1=NOC2(C1)CCN(S(=O)(=O)c1cnn([C@H]3CCOC3)c1)CC2 ZINC001343014167 962150817 /nfs/dbraw/zinc/15/08/17/962150817.db2.gz UYUNTNVPCZWKFH-NSHDSACASA-N -1 0 384.414 0.229 20 0 GCADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)CCS2(=O)=O ZINC001574049668 962151693 /nfs/dbraw/zinc/15/16/93/962151693.db2.gz XISWAYOLQXICDD-JKGQDXBKSA-N -1 0 387.454 0.647 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC001574055694 962177943 /nfs/dbraw/zinc/17/79/43/962177943.db2.gz PFRLBCOBRJLSDS-UHFFFAOYSA-N -1 0 379.365 0.897 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2N(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001574056419 962189389 /nfs/dbraw/zinc/18/93/89/962189389.db2.gz UENHWEKRGFIUEB-ZDUSSCGKSA-N -1 0 395.433 0.645 20 0 GCADRM COC(=O)[C@H]1CCc2sc(NC(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)nc2C1 ZINC001574056437 962189533 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396.400 0.724 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)[O-] ZINC001574063015 962217396 /nfs/dbraw/zinc/21/73/96/962217396.db2.gz IQZYYLLGTCPHAE-OLZOCXBDSA-N -1 0 392.408 0.879 20 0 GCADRM NS(=O)(=O)N1CCC(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000263080073 962223404 /nfs/dbraw/zinc/22/34/04/962223404.db2.gz GVLQHTLYFRAKLI-HNNXBMFYSA-N -1 0 383.470 0.494 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1)C(=O)[O-] ZINC001574063561 962224750 /nfs/dbraw/zinc/22/47/50/962224750.db2.gz SGGXPAKFBMWDDU-NEPJUHHUSA-N -1 0 378.381 0.571 20 0 GCADRM COC(=O)COc1ccc(CN(C)C(=O)c2cccn(CC(=O)[O-])c2=O)cc1 ZINC001574065687 962229280 /nfs/dbraw/zinc/22/92/80/962229280.db2.gz CJPZDBAFEOHINO-UHFFFAOYSA-N -1 0 388.376 0.757 20 0 GCADRM CC(C)C[C@H](CNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1)CC(=O)[O-] ZINC001588894684 962230890 /nfs/dbraw/zinc/23/08/90/962230890.db2.gz URXAZRBYVZFDNL-AEAUEXCSSA-N -1 0 380.445 0.164 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1ccc(OC)c(Br)n1)C(=O)[O-] ZINC001574066330 962234144 /nfs/dbraw/zinc/23/41/44/962234144.db2.gz NAXDOJBTRSQPBL-QMMMGPOBSA-N -1 0 375.175 0.989 20 0 GCADRM COC(=O)N1CCC([C@@H](C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001574075341 962257208 /nfs/dbraw/zinc/25/72/08/962257208.db2.gz HGOIJULNOVSAIZ-LLVKDONJSA-N -1 0 377.463 0.484 20 0 GCADRM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001574076090 962262664 /nfs/dbraw/zinc/26/26/64/962262664.db2.gz RTGHZHBVMQQXJR-VHDGCEQUSA-N -1 0 380.441 0.890 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001574077099 962277119 /nfs/dbraw/zinc/27/71/19/962277119.db2.gz IAAYVVQUWXLMIE-RGOKHQFPSA-N -1 0 380.319 0.308 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC001574077103 962278091 /nfs/dbraw/zinc/27/80/91/962278091.db2.gz IECIULYQAXJERD-AEJSXWLSSA-N -1 0 388.364 0.454 20 0 GCADRM 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CCC(CC)(CNC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)[O-] ZINC001595064636 979327244 /nfs/dbraw/zinc/32/72/44/979327244.db2.gz YLPAIQYTEIOFNW-ZDUSSCGKSA-N -1 0 380.445 0.890 20 0 GCADRM CCC(CC)(CNC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001595065834 979330036 /nfs/dbraw/zinc/33/00/36/979330036.db2.gz JPMDHXOPPSYZEQ-UHFFFAOYSA-N -1 0 375.422 0.892 20 0 GCADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)nn1 ZINC000844158420 979349533 /nfs/dbraw/zinc/34/95/33/979349533.db2.gz VKUDZPYXSVOHCU-JSGCOSHPSA-N -1 0 375.429 0.931 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001592762466 979356784 /nfs/dbraw/zinc/35/67/84/979356784.db2.gz RENGBGGPFDOTEI-WFASDCNBSA-N -1 0 396.465 0.673 20 0 GCADRM CS(=O)(=O)Nc1ccc(N2CCN(c3ncncc3C(=O)[O-])CC2)cc1 ZINC000844214821 979375070 /nfs/dbraw/zinc/37/50/70/979375070.db2.gz VMTBUESYVFEIEM-UHFFFAOYSA-N -1 0 377.426 0.873 20 0 GCADRM CCC(CC)(CO)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001595088720 979380724 /nfs/dbraw/zinc/38/07/24/979380724.db2.gz VBVNNQJLNZJZNI-JZLYGMAVSA-N -1 0 390.502 0.895 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1)C(=O)[O-] ZINC001592798141 979444862 /nfs/dbraw/zinc/44/48/62/979444862.db2.gz LUHZSYHKNAATBO-SYQHCUMBSA-N -1 0 376.475 0.169 20 0 GCADRM C[C@@H](CS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-])C(=O)[O-] ZINC001592813490 979494482 /nfs/dbraw/zinc/49/44/82/979494482.db2.gz AEZBIHFALUZAPK-NSHDSACASA-N -1 0 385.442 0.599 20 0 GCADRM O=C([O-])c1cn(C2CCN(C(=O)CN3c4ccccc4OCCC3=O)CC2)nn1 ZINC000851622559 979555215 /nfs/dbraw/zinc/55/52/15/979555215.db2.gz CVEPLPVZSXHKFJ-UHFFFAOYSA-N -1 0 399.407 0.956 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)C(=O)[O-] ZINC001595133983 979563275 /nfs/dbraw/zinc/56/32/75/979563275.db2.gz ORPOZNJVAXUNQG-GFCCVEGCSA-N -1 0 379.413 0.628 20 0 GCADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000851690929 979564414 /nfs/dbraw/zinc/56/44/14/979564414.db2.gz NTKNIAZOXZPFTC-UHFFFAOYSA-N -1 0 399.469 0.494 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)C(=O)[O-] ZINC001595134552 979566586 /nfs/dbraw/zinc/56/65/86/979566586.db2.gz XKVHCDXLPRESSC-NSHDSACASA-N -1 0 375.381 0.896 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)C(=O)[O-] ZINC001595134858 979569450 /nfs/dbraw/zinc/56/94/50/979569450.db2.gz CWGNORYINLCCCI-RKDXNWHRSA-N -1 0 383.426 0.587 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2)C(=O)[O-] ZINC001595134855 979569658 /nfs/dbraw/zinc/56/96/58/979569658.db2.gz CWGNORYINLCCCI-BDAKNGLRSA-N -1 0 383.426 0.587 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C(=O)[O-] ZINC001595135030 979571237 /nfs/dbraw/zinc/57/12/37/979571237.db2.gz IKJPRSCKODOEMS-NSHDSACASA-N -1 0 375.381 0.501 20 0 GCADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-] ZINC001592838056 979585187 /nfs/dbraw/zinc/58/51/87/979585187.db2.gz IBRJZVPJHAGMQM-KRWDZBQOSA-N -1 0 379.800 0.782 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000852956536 979590174 /nfs/dbraw/zinc/59/01/74/979590174.db2.gz DBFQZKCMHHTZTH-UHFFFAOYSA-N -1 0 392.393 0.486 20 0 GCADRM CC[C@@H](CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)[O-] ZINC001595139624 979595010 /nfs/dbraw/zinc/59/50/10/979595010.db2.gz UNWTUSVEWYAZPL-STQMWFEESA-N -1 0 385.461 0.977 20 0 GCADRM CC[C@@](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)(C(=O)[O-])c1ccccc1 ZINC001595145438 979612417 /nfs/dbraw/zinc/61/24/17/979612417.db2.gz GASDVBDRQFBXBN-INIZCTEOSA-N -1 0 380.426 0.079 20 0 GCADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001592846454 979618913 /nfs/dbraw/zinc/61/89/13/979618913.db2.gz MWXOSBRLODHNLF-KRWDZBQOSA-N -1 0 395.412 0.701 20 0 GCADRM CC[C@@](CNC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)(C(=O)[O-])c1ccccc1 ZINC001595146607 979621274 /nfs/dbraw/zinc/62/12/74/979621274.db2.gz GTADCHTYZHWAHU-PBHICJAKSA-N -1 0 383.470 0.882 20 0 GCADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 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KIJHJKIQZSSATI-HYXAFXHYSA-N -1 0 399.407 0.636 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595172016 979739420 /nfs/dbraw/zinc/73/94/20/979739420.db2.gz URDVHRBYPMTCQZ-BLLLJJGKSA-N -1 0 391.490 0.106 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595172328 979740363 /nfs/dbraw/zinc/74/03/63/979740363.db2.gz ABHCQRZFDMMZIY-SSDOTTSWSA-N -1 0 386.398 0.269 20 0 GCADRM Cn1nc(C(=O)[O-])cc1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000864143277 979747978 /nfs/dbraw/zinc/74/79/78/979747978.db2.gz HSJMZEQDJQTMSW-UHFFFAOYSA-N -1 0 398.363 0.410 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000864162391 979780206 /nfs/dbraw/zinc/78/02/06/979780206.db2.gz JBBZKGHHLFTYLA-ZDUSSCGKSA-N -1 0 397.453 0.168 20 0 GCADRM C[C@H](Cc1ccccc1Br)NC(=O)C(=O)N1CC(O)(C(=O)[O-])C1 ZINC001592891524 979784481 /nfs/dbraw/zinc/78/44/81/979784481.db2.gz MXJOOOOCEYQIQV-SECBINFHSA-N -1 0 385.214 0.154 20 0 GCADRM Cc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000864164093 979785893 /nfs/dbraw/zinc/78/58/93/979785893.db2.gz ZNUIDQFNDBWLCU-OAHLLOKOSA-N -1 0 394.449 0.919 20 0 GCADRM C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001592900170 979819908 /nfs/dbraw/zinc/81/99/08/979819908.db2.gz QFSAZYHOGQEPAA-VXGBXAGGSA-N -1 0 375.385 0.480 20 0 GCADRM CCNS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])c1 ZINC000864181224 979829161 /nfs/dbraw/zinc/82/91/61/979829161.db2.gz MIKZNDMWUJCVQG-MGPLVRAMSA-N -1 0 388.417 0.828 20 0 GCADRM CC[C@](COC)(NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC001595188443 979859272 /nfs/dbraw/zinc/85/92/72/979859272.db2.gz OKGZSFBUKFEBKA-CQSZACIVSA-N -1 0 376.456 0.422 20 0 GCADRM CC[C@](COC)(NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC001595188610 979861833 /nfs/dbraw/zinc/86/18/33/979861833.db2.gz UHRILHOKEUURPE-ORAYPTAESA-N -1 0 392.408 0.807 20 0 GCADRM CC[C@](COC)(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC001595189972 979880551 /nfs/dbraw/zinc/88/05/51/979880551.db2.gz ZQKKEWASKCXZRH-ZUZCIYMTSA-N -1 0 376.406 0.489 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CN1C(=O)C(F)(F)Oc2ccccc21)C(=O)[O-] ZINC001592916294 979889179 /nfs/dbraw/zinc/88/91/79/979889179.db2.gz DLAJJEORDNOGEY-MRXNPFEDSA-N -1 0 394.334 0.861 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC001592916318 979889417 /nfs/dbraw/zinc/88/94/17/979889417.db2.gz FFJSYRYSVFIVAB-LJQANCHMSA-N -1 0 397.391 0.928 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592917755 979896259 /nfs/dbraw/zinc/89/62/59/979896259.db2.gz TZTJVKARFCGHRS-KSSFIOAISA-N -1 0 377.445 0.770 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)Cc1ccccc1NS(C)(=O)=O)C(=O)[O-] ZINC001592917588 979896397 /nfs/dbraw/zinc/89/63/97/979896397.db2.gz RQOJWUNNDHQRCG-MRXNPFEDSA-N -1 0 380.426 0.457 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000864213300 979899451 /nfs/dbraw/zinc/89/94/51/979899451.db2.gz RCKMXOBSIOWWSB-CRAIPNDOSA-N -1 0 390.436 0.910 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000864214209 979901709 /nfs/dbraw/zinc/90/17/09/979901709.db2.gz BFFDRTIRIOOIDA-UQOMUDLDSA-N -1 0 396.440 0.574 20 0 GCADRM C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC001592918365 979904442 /nfs/dbraw/zinc/90/44/42/979904442.db2.gz JFCLKMUIBRKRCE-GOEBONIOSA-N -1 0 386.456 0.972 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001592918457 979905184 /nfs/dbraw/zinc/90/51/84/979905184.db2.gz KWSIBPGGDJHLIN-RDTXWAMCSA-N -1 0 390.396 0.130 20 0 GCADRM CC[C@@](COC)(NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl)C(=O)[O-] ZINC001595194978 979907925 /nfs/dbraw/zinc/90/79/25/979907925.db2.gz VUTXTHAOKYJTQV-AWEZNQCLSA-N -1 0 378.834 0.858 20 0 GCADRM CC[C@](COC)(NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC001595195282 979911846 /nfs/dbraw/zinc/91/18/46/979911846.db2.gz ZRNVFIIJWJSFNS-IFXJQAMLSA-N -1 0 377.441 0.998 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)[O-] ZINC001595198199 979923965 /nfs/dbraw/zinc/92/39/65/979923965.db2.gz CUJUJTOTPKPZOJ-CQSZACIVSA-N -1 0 377.440 0.273 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001592923831 979928053 /nfs/dbraw/zinc/92/80/53/979928053.db2.gz DSCXNXAKDWTYOS-IFXJQAMLSA-N -1 0 384.392 0.362 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC001592925310 979940940 /nfs/dbraw/zinc/94/09/40/979940940.db2.gz XYLQNPPGTULYED-ROUUACIJSA-N -1 0 385.380 0.211 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC001592925309 979941064 /nfs/dbraw/zinc/94/10/64/979941064.db2.gz XYLQNPPGTULYED-QZTJIDSGSA-N -1 0 385.380 0.211 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199574 979942387 /nfs/dbraw/zinc/94/23/87/979942387.db2.gz KUAXPXFZYBLKDS-BSEYFRJRSA-N -1 0 393.487 0.704 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC001592925797 979943545 /nfs/dbraw/zinc/94/35/45/979943545.db2.gz HMCJRLUPQRDQMB-HOSYDEDBSA-N -1 0 385.364 0.756 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001592925802 979943794 /nfs/dbraw/zinc/94/37/94/979943794.db2.gz HRMQXHDJIPGQOQ-HNNXBMFYSA-N -1 0 380.382 0.036 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-] ZINC001592925983 979946495 /nfs/dbraw/zinc/94/64/95/979946495.db2.gz MRWRFKGEMGMIRZ-LLVKDONJSA-N -1 0 381.336 0.464 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC001592926591 979949104 /nfs/dbraw/zinc/94/91/04/979949104.db2.gz SRMLTEOAIFGOHE-MRXNPFEDSA-N -1 0 396.400 0.729 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC001592926590 979949441 /nfs/dbraw/zinc/94/94/41/979949441.db2.gz SRMLTEOAIFGOHE-INIZCTEOSA-N -1 0 396.400 0.729 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1c(OC)cc(OC)cc1OC)C(=O)[O-] ZINC001595200373 979949757 /nfs/dbraw/zinc/94/97/57/979949757.db2.gz YWGQGQFPSJLOBK-HNNXBMFYSA-N -1 0 377.415 0.871 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1csnc1C(=O)[O-] ZINC001592929835 979960984 /nfs/dbraw/zinc/96/09/84/979960984.db2.gz NNAHMMSYPVGZJI-SECBINFHSA-N -1 0 394.434 0.918 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592930067 979964868 /nfs/dbraw/zinc/96/48/68/979964868.db2.gz RDESOACXVNMAQC-LBPRGKRZSA-N -1 0 382.376 0.461 20 0 GCADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1F ZINC000871791322 979968331 /nfs/dbraw/zinc/96/83/31/979968331.db2.gz OXVXEYRXLSQKDU-UHFFFAOYSA-N -1 0 399.444 0.453 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001592931480 979983041 /nfs/dbraw/zinc/98/30/41/979983041.db2.gz MSINYFPXDCSTCH-LJQANCHMSA-N -1 0 381.392 0.821 20 0 GCADRM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1C(F)(F)F ZINC000871923471 979991486 /nfs/dbraw/zinc/99/14/86/979991486.db2.gz SPMRPXAKFIHBAG-SNVBAGLBSA-N -1 0 393.387 0.682 20 0 GCADRM CC(F)(F)c1ccccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001592943742 980016764 /nfs/dbraw/zinc/01/67/64/980016764.db2.gz CDEUJCAFRWUKAK-LBPRGKRZSA-N -1 0 383.351 0.929 20 0 GCADRM CC[C@H](Cn1c(Cc2cccnc2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)OC ZINC001595216649 980017038 /nfs/dbraw/zinc/01/70/38/980017038.db2.gz KOKYQBTUKBBTMN-BZUAXINKSA-N -1 0 389.456 0.961 20 0 GCADRM Cc1cc(F)c(S(=O)(=O)N(CCN(C)C)CC(=O)N(C)C)cc1C(=O)[O-] ZINC000871984158 980023207 /nfs/dbraw/zinc/02/32/07/980023207.db2.gz JUAWOGMLQRXSMP-UHFFFAOYSA-N -1 0 389.449 0.473 20 0 GCADRM Cc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000872157482 980040009 /nfs/dbraw/zinc/04/00/09/980040009.db2.gz QAVXSESATDPKSE-UHFFFAOYSA-N -1 0 383.470 0.388 20 0 GCADRM CC[C@@H](NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)C1CCOCC1 ZINC001595228553 980086223 /nfs/dbraw/zinc/08/62/23/980086223.db2.gz GPDYLKXNYDDVNC-CHWSQXEVSA-N -1 0 379.417 0.071 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC001595228632 980086952 /nfs/dbraw/zinc/08/69/52/980086952.db2.gz CNIGNYQKHCTOCZ-PWSUYJOCSA-N -1 0 378.303 0.907 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1c(C)csc1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595230731 980098962 /nfs/dbraw/zinc/09/89/62/980098962.db2.gz RMGLBPSACINELW-JTQLQIEISA-N -1 0 383.426 0.447 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ncc(C(=O)[O-])s1 ZINC001592970665 980119729 /nfs/dbraw/zinc/11/97/29/980119729.db2.gz INLQSEGPEJLHOG-DCAQKATOSA-N -1 0 383.426 0.425 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cc(Cl)cc2c1OCC2 ZINC001592970890 980123931 /nfs/dbraw/zinc/12/39/31/980123931.db2.gz MLWNSBYLQPBJHT-RNCFNFMXSA-N -1 0 382.800 0.764 20 0 GCADRM CC[C@@H](NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001595236584 980137061 /nfs/dbraw/zinc/13/70/61/980137061.db2.gz JNAOUQULTASQNN-LLVKDONJSA-N -1 0 392.474 0.780 20 0 GCADRM CC[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)N[C@@H](CC)C(=O)OC)C(=O)[O-] ZINC001595236817 980139951 /nfs/dbraw/zinc/13/99/51/980139951.db2.gz OFNLJNVANWJGKN-KLIAIHJMSA-N -1 0 384.429 0.265 20 0 GCADRM CC[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)N[C@@H](CC)C(=O)OC)C(=O)[O-] ZINC001595236818 980140046 /nfs/dbraw/zinc/14/00/46/980140046.db2.gz OFNLJNVANWJGKN-SWTDPAGASA-N -1 0 384.429 0.265 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCCN1CCOC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC001592979688 980147218 /nfs/dbraw/zinc/14/72/18/980147218.db2.gz QYMQQBIYSAODKG-SNVBAGLBSA-N -1 0 384.458 0.246 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCc1cccc(N(C)C)n1)c1ncc(C(=O)[O-])s1 ZINC001592980338 980150193 /nfs/dbraw/zinc/15/01/93/980150193.db2.gz UYFMRSSLXHAVAZ-SECBINFHSA-N -1 0 377.426 0.796 20 0 GCADRM C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(N2CCOC2=O)c1 ZINC001592980564 980151306 /nfs/dbraw/zinc/15/13/06/980151306.db2.gz XBLJQZKAXKRBRP-RTXFEEFZSA-N -1 0 375.381 0.800 20 0 GCADRM C[C@H](NC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)c1ncc(C(=O)[O-])s1 ZINC001592981467 980157957 /nfs/dbraw/zinc/15/79/57/980157957.db2.gz UGVJOBCOTXKZKH-DCAQKATOSA-N -1 0 384.458 0.244 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC001592987022 980165351 /nfs/dbraw/zinc/16/53/51/980165351.db2.gz LHLRZSNXHSADQW-CAPXZKIUSA-N -1 0 375.425 0.649 20 0 GCADRM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cccc(S(N)(=O)=O)c1 ZINC001595242492 980166083 /nfs/dbraw/zinc/16/60/83/980166083.db2.gz IUYOKFOTDVHKML-KGLIPLIRSA-N -1 0 397.453 0.225 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1nnc2ccccn21 ZINC001592990978 980185046 /nfs/dbraw/zinc/18/50/46/980185046.db2.gz LEDJPKNJOBCTAU-JTQLQIEISA-N -1 0 385.384 0.561 20 0 GCADRM CC[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC001595249502 980203666 /nfs/dbraw/zinc/20/36/66/980203666.db2.gz JHLRCUVJPPUGDA-CQSZACIVSA-N -1 0 399.469 0.966 20 0 GCADRM C[C@@](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)(C(=O)[O-])c1ccccc1 ZINC001592997567 980205201 /nfs/dbraw/zinc/20/52/01/980205201.db2.gz BPMMMHYPADGPOX-KRWDZBQOSA-N -1 0 375.406 0.600 20 0 GCADRM Cn1cc(/C=C(\Cl)c2nc(=O)c3ccc(C(=O)[O-])cc3[nH]2)c(=O)n(C)c1=O ZINC000884145004 980208532 /nfs/dbraw/zinc/20/85/32/980208532.db2.gz ZSRBRNRTNQOGAR-WZUFQYTHSA-N -1 0 388.767 0.756 20 0 GCADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C(=O)N1CCOCC1 ZINC001595253215 980228308 /nfs/dbraw/zinc/22/83/08/980228308.db2.gz PEYBGRQQPNGSDO-CQSZACIVSA-N -1 0 379.413 0.830 20 0 GCADRM CC[C@H](NC(=O)NCCn1cc(C(=O)[O-])nn1)c1nnc2n1CCCCC2 ZINC001595253413 980230735 /nfs/dbraw/zinc/23/07/35/980230735.db2.gz QZHYNUHUIKWQSZ-NSHDSACASA-N -1 0 376.421 0.745 20 0 GCADRM O=C([O-])[C@H]1[C@@H]2CN(S(=O)(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@@H]21 ZINC000899938129 980234178 /nfs/dbraw/zinc/23/41/78/980234178.db2.gz CREQUUMRQNWIGL-CAOSSQGBSA-N -1 0 378.450 0.883 20 0 GCADRM C[C@](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)(C(N)=O)c1cccc(Cl)c1 ZINC001593025707 980282711 /nfs/dbraw/zinc/28/27/11/980282711.db2.gz HRZPSPOKHJPCLH-SJKOYZFVSA-N -1 0 381.816 0.480 20 0 GCADRM C[C@H](NC(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C(=O)N1CCCCC1 ZINC001593025944 980286612 /nfs/dbraw/zinc/28/66/12/980286612.db2.gz OMANHVRKNTYZNF-XHDPSFHLSA-N -1 0 379.379 0.843 20 0 GCADRM CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001595279540 980319934 /nfs/dbraw/zinc/31/99/34/980319934.db2.gz RNWMTXCCYHQJRG-STQMWFEESA-N -1 0 383.445 0.681 20 0 GCADRM C[C@@](NC(=O)Cn1cccc(C(=O)[O-])c1=O)(C(N)=O)c1cccc(Cl)c1 ZINC001593049661 980338718 /nfs/dbraw/zinc/33/87/18/980338718.db2.gz HBPHTSNDOCEVGL-KRWDZBQOSA-N -1 0 377.784 0.717 20 0 GCADRM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)[O-])c1)C(OC)OC ZINC001595312993 980476367 /nfs/dbraw/zinc/47/63/67/980476367.db2.gz KXHMWNJEPSNWAG-GFCCVEGCSA-N -1 0 375.399 0.847 20 0 GCADRM CC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595313133 980477039 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20 0 GCADRM CCOCn1nc(C)c(C[C@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1C ZINC001596958425 986145439 /nfs/dbraw/zinc/14/54/39/986145439.db2.gz GUHUOXMECOLYRP-NHYWBVRUSA-N -1 0 380.445 0.474 20 0 GCADRM Cc1c(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cnn1-c1ccc(=O)[nH]n1 ZINC001599979816 986147135 /nfs/dbraw/zinc/14/71/35/986147135.db2.gz BODHHUSSCXESLD-CQSZACIVSA-N -1 0 383.364 0.938 20 0 GCADRM CCOCn1nc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1C ZINC001596959715 986151119 /nfs/dbraw/zinc/15/11/19/986151119.db2.gz VPYYQLUFIVPGFF-DZGCQCFKSA-N -1 0 381.429 0.901 20 0 GCADRM C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NC[C@H](F)C(=O)[O-])C[C@H](C)O1 ZINC001594545851 986211477 /nfs/dbraw/zinc/21/14/77/986211477.db2.gz VLAVMKMXIVNJLJ-OBJOEFQTSA-N -1 0 381.404 0.773 20 0 GCADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)ccc2n1C ZINC001599986100 986228608 /nfs/dbraw/zinc/22/86/08/986228608.db2.gz QHICAIUOFWIFAB-NSHDSACASA-N -1 0 380.378 0.004 20 0 GCADRM 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REAOXNGIXPGHCE-UHFFFAOYSA-N -1 0 390.440 0.960 20 0 GCADRM CCc1c(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC001597412733 987707519 /nfs/dbraw/zinc/70/75/19/987707519.db2.gz MJNQDYXWMNEGAQ-LBPRGKRZSA-N -1 0 377.397 0.851 20 0 GCADRM CC(C)(C(=O)OCCc1cn(CC(=O)[O-])nn1)N1C(=O)c2ccccc2C1=O ZINC001589681199 987710359 /nfs/dbraw/zinc/71/03/59/987710359.db2.gz LZYWCNKCWSPDFZ-UHFFFAOYSA-N -1 0 386.364 0.523 20 0 GCADRM CC(C)(C)[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001589710107 987831567 /nfs/dbraw/zinc/83/15/67/987831567.db2.gz GVWCCPAXYMJIAZ-ZDUSSCGKSA-N -1 0 379.413 0.353 20 0 GCADRM CC(C)(C)[C@@]1(C)NC(=O)N(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001589723096 987897231 /nfs/dbraw/zinc/89/72/31/987897231.db2.gz SGWYEYBEFCQYPB-KRWDZBQOSA-N -1 0 378.433 0.927 20 0 GCADRM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001589723084 987897394 /nfs/dbraw/zinc/89/73/94/987897394.db2.gz RYYVKRKCQHUXQO-GXTWGEPZSA-N -1 0 384.404 0.666 20 0 GCADRM CCc1cc(C(=O)OC)c(NC(=O)C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)s1 ZINC001597465927 987908925 /nfs/dbraw/zinc/90/89/25/987908925.db2.gz JRGSAGANKRUANF-INIZCTEOSA-N -1 0 384.410 0.738 20 0 GCADRM CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](O)CC(=O)[O-])C2=O ZINC001589727958 987926530 /nfs/dbraw/zinc/92/65/30/987926530.db2.gz DATNFDGTTNEZGF-LASWEOPPSA-N -1 0 383.445 0.465 20 0 GCADRM CCc1cc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C2)ncn1 ZINC001597476884 987944579 /nfs/dbraw/zinc/94/45/79/987944579.db2.gz OUYSMYIBHXIUIQ-FPMFFAJLSA-N -1 0 375.429 0.103 20 0 GCADRM CCc1cc(N2CCC(NC(=O)C(=O)NCCCCC(=O)[O-])CC2)ncn1 ZINC001597476996 987945557 /nfs/dbraw/zinc/94/55/57/987945557.db2.gz PSVSRQYCPVTQEN-UHFFFAOYSA-N -1 0 377.445 0.495 20 0 GCADRM CS[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001599787539 987948359 /nfs/dbraw/zinc/94/83/59/987948359.db2.gz FANMKOSLOBAJTQ-IJLUTSLNSA-N -1 0 381.458 0.540 20 0 GCADRM CC(C)(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCO1 ZINC001589735556 987987234 /nfs/dbraw/zinc/98/72/34/987987234.db2.gz VAQJACMKRXJYPQ-YPMHNXCESA-N -1 0 379.417 0.023 20 0 GCADRM CC(C)(C)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C(=O)[O-] ZINC001589743292 988024664 /nfs/dbraw/zinc/02/46/64/988024664.db2.gz JSTRHDBSIOWUIB-CHWSQXEVSA-N -1 0 381.404 0.805 20 0 GCADRM CC(C)(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC001589751185 988049824 /nfs/dbraw/zinc/04/98/24/988049824.db2.gz KJBHDBNUCHGJDZ-JTQLQIEISA-N -1 0 393.425 0.717 20 0 GCADRM CC(C)(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12)C(=O)[O-] ZINC001589751188 988050324 /nfs/dbraw/zinc/05/03/24/988050324.db2.gz KJBHDBNUCHGJDZ-SNVBAGLBSA-N -1 0 393.425 0.717 20 0 GCADRM CCc1ccc(C(=O)[O-])c(OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001597502921 988070188 /nfs/dbraw/zinc/07/01/88/988070188.db2.gz MARVIVIBZJKZQN-STQMWFEESA-N -1 0 395.433 0.888 20 0 GCADRM 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0 399.469 0.474 20 0 GCADRM CC(C)(C)OC(=O)C1(C(=O)N2CCC(C(=O)[O-])CC2)CCS(=O)(=O)CC1 ZINC001589847510 988364724 /nfs/dbraw/zinc/36/47/24/988364724.db2.gz CXUYQGWUFOYOJR-UHFFFAOYSA-N -1 0 389.470 0.846 20 0 GCADRM CSc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC001599814171 988390414 /nfs/dbraw/zinc/39/04/14/988390414.db2.gz FPWWXVKCRWAAEH-SDDRHHMPSA-N -1 0 393.465 0.855 20 0 GCADRM CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001599815073 988407365 /nfs/dbraw/zinc/40/73/65/988407365.db2.gz WLHUQAWFJOKTGL-SNVBAGLBSA-N -1 0 385.829 0.754 20 0 GCADRM CC(C)(C)OC(=O)[C@H]1CC(C(=O)N[C@H](CO)C(=O)[O-])=NN1c1ccccc1 ZINC001589857605 988415193 /nfs/dbraw/zinc/41/51/93/988415193.db2.gz RQTWSKKTBASCON-ZIAGYGMSSA-N -1 0 377.397 0.525 20 0 GCADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CC12CC(C(=O)[O-])C2 ZINC001589860844 988435929 /nfs/dbraw/zinc/43/59/29/988435929.db2.gz AWLDBNZTJVCITR-OMUIBUHPSA-N -1 0 380.441 0.794 20 0 GCADRM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC001589862122 988450664 /nfs/dbraw/zinc/45/06/64/988450664.db2.gz SSSQTRCKJRDHEP-ZDUSSCGKSA-N -1 0 392.474 0.460 20 0 GCADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589865421 988455794 /nfs/dbraw/zinc/45/57/94/988455794.db2.gz ADCCXTSZWPHWTG-SMYYYNMVSA-N -1 0 399.421 0.958 20 0 GCADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589865668 988458960 /nfs/dbraw/zinc/45/89/60/988458960.db2.gz DXDZQOPBPFNADE-DSYXLKISSA-N -1 0 399.421 0.958 20 0 GCADRM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CO1 ZINC001589872258 988503711 /nfs/dbraw/zinc/50/37/11/988503711.db2.gz QIXGDXIUPFWLQU-YNEHKIRRSA-N -1 0 384.429 0.315 20 0 GCADRM CCc1ccccc1NC(=O)CNC(=O)Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001597615125 988529962 /nfs/dbraw/zinc/52/99/62/988529962.db2.gz UGXVEPKQLKLOLS-UHFFFAOYSA-N -1 0 388.380 0.685 20 0 GCADRM CSc1cccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2=O)c1 ZINC001599821971 988530425 /nfs/dbraw/zinc/53/04/25/988530425.db2.gz MNOWIFZMRTZLOM-SRVKXCTJSA-N -1 0 393.465 0.855 20 0 GCADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001589877551 988537556 /nfs/dbraw/zinc/53/75/56/988537556.db2.gz KPJAXEVLGQBJCO-LLVKDONJSA-N -1 0 378.447 0.055 20 0 GCADRM CSc1cccc(N2C[C@H](C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])CC2=O)c1 ZINC001599822860 988545398 /nfs/dbraw/zinc/54/53/98/988545398.db2.gz ZSWDPIZPOLEOGY-BXUZGUMPSA-N -1 0 391.449 0.563 20 0 GCADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001589878851 988550903 /nfs/dbraw/zinc/55/09/03/988550903.db2.gz WWTXVXBFZOYEFQ-LLVKDONJSA-N -1 0 380.401 0.408 20 0 GCADRM CC(C)(C)OC(=O)CN1CCC(NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001589889882 988569153 /nfs/dbraw/zinc/56/91/53/988569153.db2.gz FLOPABCXNZHNEA-UHFFFAOYSA-N -1 0 388.446 0.192 20 0 GCADRM CC(C)(C)OC(=O)CN1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 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BDQJZJCNCNOBIA-LLVKDONJSA-N -1 0 378.385 0.576 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCSC[C@@H]2CC(=O)[O-])C1 ZINC001589939092 988700923 /nfs/dbraw/zinc/70/09/23/988700923.db2.gz LTBCFBURJFTALO-JTQLQIEISA-N -1 0 380.488 0.828 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCOC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001589939680 988706982 /nfs/dbraw/zinc/70/69/82/988706982.db2.gz WNIXVXCKXUZNOV-MNOVXSKESA-N -1 0 383.401 0.265 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])C1 ZINC001589939973 988709073 /nfs/dbraw/zinc/70/90/73/988709073.db2.gz ZHPOQYZQOWPVBF-ZYHUDNBSSA-N -1 0 378.447 0.547 20 0 GCADRM CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C1 ZINC001589940109 988710054 /nfs/dbraw/zinc/71/00/54/988710054.db2.gz JPEDEEQTNSQLDN-UHFFFAOYSA-N -1 0 397.428 0.844 20 0 GCADRM CC(C)(C)OC(=O)N1CC(OCC(=O)N[C@@H](Cc2cncs2)C(=O)[O-])C1 ZINC001589940182 988711201 /nfs/dbraw/zinc/71/12/01/988711201.db2.gz MJLYYBMTJTVDSP-LBPRGKRZSA-N -1 0 385.442 0.891 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)=NO2 ZINC001589941534 988723395 /nfs/dbraw/zinc/72/33/95/988723395.db2.gz KSHPQBNYKRBPKT-GHMZBOCLSA-N -1 0 383.401 0.046 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCCN2C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001589941889 988724911 /nfs/dbraw/zinc/72/49/11/988724911.db2.gz NQBKCGPXAOCTSY-UHFFFAOYSA-N -1 0 392.412 0.665 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCSC1=O)C[C@H]2C(=O)[O-] ZINC001589946593 988732964 /nfs/dbraw/zinc/73/29/64/988732964.db2.gz APSFOUGQMNNDAS-NSHDSACASA-N -1 0 399.469 0.935 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]2C(=O)[O-] ZINC001589946978 988735012 /nfs/dbraw/zinc/73/50/12/988735012.db2.gz COVWMXLYTXHDBK-LBPRGKRZSA-N -1 0 397.472 0.929 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001589947894 988738967 /nfs/dbraw/zinc/73/89/67/988738967.db2.gz IEACYLAZZAKFLV-MJBXVCDLSA-N -1 0 398.456 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)N[C@H]1[C@@H]3COC[C@@H]31)C[C@H]2C(=O)[O-] ZINC001589948593 988741214 /nfs/dbraw/zinc/74/12/14/988741214.db2.gz NZRMCJZGLPQCIE-QNWHQSFQSA-N -1 0 381.429 0.594 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(CN(C(=O)COCc3ocnc3C(=O)[O-])C2)C1 ZINC001589949039 988743700 /nfs/dbraw/zinc/74/37/00/988743700.db2.gz SOZBLTFKKOGXOV-UHFFFAOYSA-N -1 0 381.385 0.969 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CNCC(F)(F)F)C[C@@H]2C(=O)[O-] ZINC001589949523 988745624 /nfs/dbraw/zinc/74/56/24/988745624.db2.gz WDTVNFYVSCFMOG-SNVBAGLBSA-N -1 0 395.378 0.918 20 0 GCADRM CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(=O)[O-])C2)no1 ZINC001597666959 988748140 /nfs/dbraw/zinc/74/81/40/988748140.db2.gz GSEJLCHPBXQCDK-GHMZBOCLSA-N -1 0 389.416 0.328 20 0 GCADRM C[C@@H](CO)N(C)C(=O)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001599836424 988750569 /nfs/dbraw/zinc/75/05/69/988750569.db2.gz KNEBMLVPBQNZRI-JTQLQIEISA-N -1 0 377.422 0.964 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NC[C@@H](O)CC(=O)[O-])C[C@@H](C1)C2=O ZINC001589953941 988752661 /nfs/dbraw/zinc/75/26/61/988752661.db2.gz HHPVRUSNQRFGCC-WVMKXHBISA-N -1 0 384.429 0.400 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CC[C@](O)(C(=O)[O-])C2)C1 ZINC001589955888 988761895 /nfs/dbraw/zinc/76/18/95/988761895.db2.gz SAAAMZFFAWRXPJ-SJORKVTESA-N -1 0 388.392 0.010 20 0 GCADRM CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C2 ZINC001589956431 988764599 /nfs/dbraw/zinc/76/45/99/988764599.db2.gz UZTMLIXUFMCTND-MLZJXEJWSA-N -1 0 395.456 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C1 ZINC001589957594 988771070 /nfs/dbraw/zinc/77/10/70/988771070.db2.gz ZHMAPEMCIBIJAG-PSVSLLHZSA-N -1 0 390.383 0.986 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])C1 ZINC001589966567 988783924 /nfs/dbraw/zinc/78/39/24/988783924.db2.gz BEAXNHNZTKTAJU-GVXVVHGQSA-N -1 0 390.408 0.914 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001589967130 988787714 /nfs/dbraw/zinc/78/77/14/988787714.db2.gz ILIMMZXUNVXOTC-RISCZKNCSA-N -1 0 389.424 0.679 20 0 GCADRM CCc1nc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])sc1C ZINC001597678043 988796145 /nfs/dbraw/zinc/79/61/45/988796145.db2.gz JXUTWCMMMCCVHP-JTQLQIEISA-N -1 0 375.472 0.526 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)[C@H](O)C1 ZINC001589981712 988854480 /nfs/dbraw/zinc/85/44/80/988854480.db2.gz FXLXMSPHRVSBPK-QWHCGFSZSA-N -1 0 395.412 0.033 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cccc(C(=O)[O-])c2=O)[C@@H](O)C1 ZINC001589981709 988855144 /nfs/dbraw/zinc/85/51/44/988855144.db2.gz FXLXMSPHRVSBPK-OLZOCXBDSA-N -1 0 395.412 0.033 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)C1 ZINC001589983142 988861069 /nfs/dbraw/zinc/86/10/69/988861069.db2.gz NJGPAYMLSKTRSQ-KFWWJZLASA-N -1 0 397.472 0.772 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001589984728 988874937 /nfs/dbraw/zinc/87/49/37/988874937.db2.gz HHMVKOQDBIGYRV-QWHCGFSZSA-N -1 0 386.445 0.433 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001589984833 988876644 /nfs/dbraw/zinc/87/66/44/988876644.db2.gz JJOJKYZOTBTDHC-OCCSQVGLSA-N -1 0 386.445 0.575 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NC2(C(=O)[O-])CC(CO)C2)CC1 ZINC001589984849 988876939 /nfs/dbraw/zinc/87/69/39/988876939.db2.gz JOFCUFIZNWBRFL-UHFFFAOYSA-N -1 0 386.445 0.480 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)Cc2ccc(C(=O)[O-])nc2)C1 ZINC001589985285 988880165 /nfs/dbraw/zinc/88/01/65/988880165.db2.gz NCVRNEYIXHJFDQ-GOSISDBHSA-N -1 0 379.413 0.810 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)C1 ZINC001589985437 988882044 /nfs/dbraw/zinc/88/20/44/988882044.db2.gz PUJCGSPOOOSAGK-VBHSOAQHSA-N -1 0 386.445 0.602 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001599843328 988888742 /nfs/dbraw/zinc/88/87/42/988888742.db2.gz DVQUCYKHYNRNGO-YGRLFVJLSA-N -1 0 376.406 0.177 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C(=O)[O-] ZINC001599843498 988891731 /nfs/dbraw/zinc/89/17/31/988891731.db2.gz HRIMMDUYUHTJHR-PELKAZGASA-N -1 0 383.344 0.515 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCCOCC(=O)[O-])[nH]n2)C1 ZINC001589990617 988891885 /nfs/dbraw/zinc/89/18/85/988891885.db2.gz CMBNUAOEJDKEDC-LLVKDONJSA-N -1 0 382.417 0.965 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@H](CO)C(=O)[O-])o2)CC1 ZINC001589990623 988892642 /nfs/dbraw/zinc/89/26/42/988892642.db2.gz CMKAEASOSVDGEH-LLVKDONJSA-N -1 0 383.401 0.964 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1 ZINC001589991083 988894082 /nfs/dbraw/zinc/89/40/82/988894082.db2.gz FDORPXPACZXANP-DGCLKSJQSA-N -1 0 392.474 0.795 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NC[C@@H](O)CC(=O)[O-])[nH]n2)C1 ZINC001589991060 988894483 /nfs/dbraw/zinc/89/44/83/988894483.db2.gz DIBXRECVFMPZJX-QWRGUYRKSA-N -1 0 382.417 0.700 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001589991535 988895274 /nfs/dbraw/zinc/89/52/74/988895274.db2.gz HSTQKENOVWUKIE-INIZCTEOSA-N -1 0 392.474 0.797 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001599843678 988896882 /nfs/dbraw/zinc/89/68/82/988896882.db2.gz GXKCHLUNUPNRIH-XLDPMVHQSA-N -1 0 396.874 0.505 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H](CO)C(=O)[O-])on2)CC1 ZINC001589991789 988898852 /nfs/dbraw/zinc/89/88/52/988898852.db2.gz MIPIFFUJIILXJT-GFCCVEGCSA-N -1 0 383.401 0.964 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCC[C@H](O)C(=O)[O-])[nH]n2)C1 ZINC001589991858 988900580 /nfs/dbraw/zinc/90/05/80/988900580.db2.gz NIOXOPGPMGBNTE-MFKMUULPSA-N -1 0 382.417 0.700 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC001599843901 988900808 /nfs/dbraw/zinc/90/08/08/988900808.db2.gz QVFPBNAFKBPRPM-OSMZGAPFSA-N -1 0 382.413 0.778 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)=NO2)C1 ZINC001589993710 988908411 /nfs/dbraw/zinc/90/84/11/988908411.db2.gz FPUGTKKOXUHBSH-IRXDYDNUSA-N -1 0 383.401 0.190 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)CCSCC(=O)[O-])C1 ZINC001589994264 988910958 /nfs/dbraw/zinc/91/09/58/988910958.db2.gz KHNOICWIGWWTFE-MRXNPFEDSA-N -1 0 387.458 0.837 20 0 GCADRM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCOCC(=O)[O-])=NO2)CC1 ZINC001589994260 988911014 /nfs/dbraw/zinc/91/10/14/988911014.db2.gz JZNQOFJFXUZQHG-UHFFFAOYSA-N -1 0 385.417 0.750 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1)C(=O)[O-] ZINC001599844692 988912044 /nfs/dbraw/zinc/91/20/44/988912044.db2.gz UJXBVCSARWGWDV-RSXSOOJNSA-N -1 0 387.392 0.078 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(=O)[O-] ZINC001599844802 988913787 /nfs/dbraw/zinc/91/37/87/988913787.db2.gz BPSIEUIIVHVQPS-BREBYQMCSA-N -1 0 382.417 0.698 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=NO2)C1 ZINC001589995740 988915966 /nfs/dbraw/zinc/91/59/66/988915966.db2.gz UNWRCAUBCJNQJF-AEDCBLDQSA-N -1 0 397.428 0.748 20 0 GCADRM C[C@@H](OC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001599846446 988940042 /nfs/dbraw/zinc/94/00/42/988940042.db2.gz MCTMVFCPWVASJT-NXEZZACHSA-N -1 0 377.415 0.284 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CC3(C2)CCOCC3)C[C@H]1CC(=O)[O-] ZINC001599848243 988969931 /nfs/dbraw/zinc/96/99/31/988969931.db2.gz VYGYQFDJTJJRAB-HUUCEWRRSA-N -1 0 381.473 0.126 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599849265 988985294 /nfs/dbraw/zinc/98/52/94/988985294.db2.gz HWTZUNTYFWLLLG-KBMXLJTQSA-N -1 0 375.425 0.790 20 0 GCADRM 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C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001593344342 994939093 /nfs/dbraw/zinc/93/90/93/994939093.db2.gz ALBOBGFHIBMYQB-MRVPVSSYSA-N -1 0 384.439 0.462 20 0 GCADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCOC[C@H]2CC(=O)[O-])c1 ZINC001599678790 994943309 /nfs/dbraw/zinc/94/33/09/994943309.db2.gz MLPRIUTTZOVSMN-CQSZACIVSA-N -1 0 379.413 0.268 20 0 GCADRM COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@H](OC)C[C@]2(C)C(=O)[O-])c1 ZINC001599679116 994949402 /nfs/dbraw/zinc/94/94/02/994949402.db2.gz UPLYOAFHBSIVDA-DNVCBOLYSA-N -1 0 393.440 0.656 20 0 GCADRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@](C)(Cn1cccn1)C(=O)[O-] ZINC001593346219 994949591 /nfs/dbraw/zinc/94/95/91/994949591.db2.gz WPFJSSIWUYAALC-IINYFYTJSA-N -1 0 386.455 0.271 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593347288 994953428 /nfs/dbraw/zinc/95/34/28/994953428.db2.gz DMGOSFRXPBKBDF-PXAZEXFGSA-N -1 0 395.437 0.673 20 0 GCADRM COC(=O)C(C)(C)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 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395.334 0.124 20 0 GCADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCCCCCC(=O)[O-] ZINC001593390307 995121549 /nfs/dbraw/zinc/12/15/49/995121549.db2.gz KKZSFQGAZFTVBP-QGZVFWFLSA-N -1 0 383.445 0.753 20 0 GCADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001593390488 995122792 /nfs/dbraw/zinc/12/27/92/995122792.db2.gz MINPPFSPMPGZDE-MRXNPFEDSA-N -1 0 381.429 0.363 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001593390487 995122972 /nfs/dbraw/zinc/12/29/72/995122972.db2.gz MINPPFSPMPGZDE-INIZCTEOSA-N -1 0 381.429 0.363 20 0 GCADRM C[C@](O)(CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001593391222 995126473 /nfs/dbraw/zinc/12/64/73/995126473.db2.gz RACXGAAETROIHZ-IRXDYDNUSA-N -1 0 382.438 0.603 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC001598695409 995129162 /nfs/dbraw/zinc/12/91/62/995129162.db2.gz SYJVSWIGHQSKLA-SNVBAGLBSA-N -1 0 392.817 0.336 20 0 GCADRM 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GCADRM COC(=O)[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)[C@@H]1CCC[C@H](OC)C1 ZINC001598701026 995223329 /nfs/dbraw/zinc/22/33/29/995223329.db2.gz BEURQRDOWNCLAA-UKTARXLSSA-N -1 0 384.429 0.173 20 0 GCADRM COC(=O)[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccc(C)c(C)c1 ZINC001598701498 995229213 /nfs/dbraw/zinc/22/92/13/995229213.db2.gz HBWMFUJKHYVIPW-ZBFHGGJFSA-N -1 0 376.409 0.957 20 0 GCADRM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001593426308 995229787 /nfs/dbraw/zinc/22/97/87/995229787.db2.gz RTPPOVYQRNKZGW-MZORAGNBSA-N -1 0 376.409 0.294 20 0 GCADRM COC(=O)[C@@H](CNC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)[C@@H]1CCOC1 ZINC001598702189 995238456 /nfs/dbraw/zinc/23/84/56/995238456.db2.gz SJBMJZQTDNEXTD-OCCSQVGLSA-N -1 0 393.396 0.448 20 0 GCADRM COC(=O)[C@H](CNS(=O)(=O)c1cc(OC)ccc1C(=O)[O-])[C@@H]1CCOC1 ZINC001598702445 995241359 /nfs/dbraw/zinc/24/13/59/995241359.db2.gz KSICVMBXSSCFMK-ZWNOBZJWSA-N -1 0 387.410 0.497 20 0 GCADRM COC(=O)[C@H](CNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])[C@@H]1CCOC1 ZINC001598702488 995241965 /nfs/dbraw/zinc/24/19/65/995241965.db2.gz KZUBPQRAGHOAEO-ZWNOBZJWSA-N -1 0 387.410 0.497 20 0 GCADRM COC(=O)[C@H](F)C(Nc1cccc(C(=O)[O-])c1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC001598702552 995242738 /nfs/dbraw/zinc/24/27/38/995242738.db2.gz OJIPQPQOMSBEPU-LLVKDONJSA-N -1 0 393.327 0.612 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593432076 995255414 /nfs/dbraw/zinc/25/54/14/995255414.db2.gz KNMWKZBLJYWGIU-MEWQQHAOSA-N -1 0 390.483 0.345 20 0 GCADRM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001593433746 995269400 /nfs/dbraw/zinc/26/94/00/995269400.db2.gz ZHQJYJGPJNRNMC-NUTKFTJISA-N -1 0 392.452 0.808 20 0 GCADRM COC(=O)[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cn1)C(C)C ZINC001598705138 995276812 /nfs/dbraw/zinc/27/68/12/995276812.db2.gz BWTMQTNJFQNFLQ-KBPBESRZSA-N -1 0 379.413 0.848 20 0 GCADRM 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COC(=O)[C@@H]1CCN(C(=O)c2cnc3scc(C)n3c2=O)[C@@H](C(=O)[O-])C1 ZINC001598796320 996112313 /nfs/dbraw/zinc/11/23/13/996112313.db2.gz TXTCLWGFNLTIDV-MWLCHTKSSA-N -1 0 379.394 0.543 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])C1 ZINC001598797080 996115214 /nfs/dbraw/zinc/11/52/14/996115214.db2.gz BRNPKCPPBDADQY-ZYHUDNBSSA-N -1 0 385.394 0.485 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(OC)cc(OC)c2)[C@H](C(=O)[O-])C1 ZINC001598797554 996118092 /nfs/dbraw/zinc/11/80/92/996118092.db2.gz DRTQLEDHVSIBBT-HZMBPMFUSA-N -1 0 387.410 0.731 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC001598798268 996122814 /nfs/dbraw/zinc/12/28/14/996122814.db2.gz IESPDGJRMWLDHJ-OCCSQVGLSA-N -1 0 398.437 0.415 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC1 ZINC001598799006 996126165 /nfs/dbraw/zinc/12/61/65/996126165.db2.gz KZIAIDBKMZBTJO-LLVKDONJSA-N -1 0 386.430 0.136 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC1 ZINC001598799007 996126211 /nfs/dbraw/zinc/12/62/11/996126211.db2.gz KZIAIDBKMZBTJO-NSHDSACASA-N -1 0 386.430 0.136 20 0 GCADRM COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC1 ZINC001598798986 996126343 /nfs/dbraw/zinc/12/63/43/996126343.db2.gz KRFFOEFKVXIAIT-MFOWVQHXSA-N -1 0 390.458 0.118 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)C1 ZINC001598799322 996128300 /nfs/dbraw/zinc/12/83/00/996128300.db2.gz MJQJCWFMCNIDPD-ITKZLYELSA-N -1 0 399.421 0.985 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)C1 ZINC001598799324 996128642 /nfs/dbraw/zinc/12/86/42/996128642.db2.gz MJQJCWFMCNIDPD-RXNFCKPNSA-N -1 0 399.421 0.985 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001598800274 996134127 /nfs/dbraw/zinc/13/41/27/996134127.db2.gz SLRFFZYQKPPCDC-SMDDNHRTSA-N -1 0 399.421 0.809 20 0 GCADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001593691075 996137684 /nfs/dbraw/zinc/13/76/84/996137684.db2.gz YPKDQWORFGDVKW-SNVBAGLBSA-N -1 0 379.460 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(F)(F)F)C2)C[C@@H]1C(=O)[O-] ZINC001598802001 996146018 /nfs/dbraw/zinc/14/60/18/996146018.db2.gz BBXPIMXDQDNGRX-QIBSRJKCSA-N -1 0 380.319 0.120 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC001598801962 996146167 /nfs/dbraw/zinc/14/61/67/996146167.db2.gz ASNKVNMOODQXAL-BXUZGUMPSA-N -1 0 378.381 0.289 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Cc3cccs3)C2)C[C@@H]1C(=O)[O-] ZINC001598802274 996149136 /nfs/dbraw/zinc/14/91/36/996149136.db2.gz CDUXXGQXMATETR-STQMWFEESA-N -1 0 380.422 0.081 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC001598802818 996155404 /nfs/dbraw/zinc/15/54/04/996155404.db2.gz IWSYAFGJTRFJRS-UPJWGTAASA-N -1 0 377.459 0.860 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001598803120 996158211 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/nfs/dbraw/zinc/17/18/06/996171806.db2.gz ANXYXARHKNZSGF-LERXQTSPSA-N -1 0 378.356 0.511 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593700032 996173544 /nfs/dbraw/zinc/17/35/44/996173544.db2.gz SVKGDKBKSHQJCE-QKCSRTOESA-N -1 0 390.483 0.910 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001593703173 996179300 /nfs/dbraw/zinc/17/93/00/996179300.db2.gz LCUVOXBGOBODRG-NSHDSACASA-N -1 0 393.421 0.414 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593703754 996181446 /nfs/dbraw/zinc/18/14/46/996181446.db2.gz UGYKUVOSNUCEHF-XWIASGKRSA-N -1 0 376.456 0.520 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598805836 996185329 /nfs/dbraw/zinc/18/53/29/996185329.db2.gz AYBNEBJOHDNMTI-CHWSQXEVSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@H]1C(=O)[O-] ZINC001598805924 996186011 /nfs/dbraw/zinc/18/60/11/996186011.db2.gz FVNBDJPSYLQLLV-HUUCEWRRSA-N -1 0 395.481 0.996 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598806163 996188962 /nfs/dbraw/zinc/18/89/62/996188962.db2.gz BVPCNQGYOWBYNW-OLZOCXBDSA-N -1 0 380.397 0.762 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1C(=O)[O-] ZINC001598806221 996189477 /nfs/dbraw/zinc/18/94/77/996189477.db2.gz FUBGIDANWYNSLC-UONOGXRCSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)[C@H](C(=O)OC)C1 ZINC001598806323 996190361 /nfs/dbraw/zinc/19/03/61/996190361.db2.gz ZUGIFXIGWBYGOV-KPFVRQRISA-N -1 0 391.442 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)C[C@H]1C(=O)[O-] ZINC001598806371 996191048 /nfs/dbraw/zinc/19/10/48/996191048.db2.gz HDIGAQHKTXGXAS-GYSYKLTISA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@H]1C(=O)OC ZINC001598806601 996192918 /nfs/dbraw/zinc/19/29/18/996192918.db2.gz HJGSAFDSXBWCGY-NLXVHPKQSA-N -1 0 398.412 0.002 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1C(=O)OC ZINC001598806715 996194255 /nfs/dbraw/zinc/19/42/55/996194255.db2.gz FIDUMIPDLLTZEJ-STQMWFEESA-N -1 0 394.380 0.497 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)C[C@H]1C(=O)[O-] ZINC001598806936 996196186 /nfs/dbraw/zinc/19/61/86/996196186.db2.gz JBIYKLXIYRJZLZ-JRKPZEMJSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806968 996196353 /nfs/dbraw/zinc/19/63/53/996196353.db2.gz JSQQPQLZUJXHFX-IIAWOOMASA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2Br)C[C@@H]1C(=O)[O-] ZINC001598807387 996199677 /nfs/dbraw/zinc/19/96/77/996199677.db2.gz MFBPFQMMUJOADV-UMNHJUIQSA-N -1 0 385.214 0.781 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598807598 996201461 /nfs/dbraw/zinc/20/14/61/996201461.db2.gz LBKLLPXDHNDZDL-YNEHKIRRSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598807595 996201470 /nfs/dbraw/zinc/20/14/70/996201470.db2.gz LBKLLPXDHNDZDL-UPJWGTAASA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598807596 996201492 /nfs/dbraw/zinc/20/14/92/996201492.db2.gz LBKLLPXDHNDZDL-XQQFMLRXSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCOc2ccccc2OC)C[C@H]1C(=O)[O-] ZINC001598807619 996202293 /nfs/dbraw/zinc/20/22/93/996202293.db2.gz JCGJEJOUKPITDG-OLZOCXBDSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807846 996203775 /nfs/dbraw/zinc/20/37/75/996203775.db2.gz NPAOXZFCSNLJIY-BBWFWOEESA-N -1 0 389.452 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)C[C@@H]1C(=O)[O-] ZINC001598807817 996203918 /nfs/dbraw/zinc/20/39/18/996203918.db2.gz LHDWSXVFSRFADJ-UXXRCYHCSA-N -1 0 381.429 0.149 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598807919 996204690 /nfs/dbraw/zinc/20/46/90/996204690.db2.gz LSVCVGNLVCUJRJ-LERXQTSPSA-N -1 0 389.408 0.782 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCN2CCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808085 996205549 /nfs/dbraw/zinc/20/55/49/996205549.db2.gz KYCQJKOCHNNWRU-LSDHHAIUSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C(=O)[O-] ZINC001598808220 996207082 /nfs/dbraw/zinc/20/70/82/996207082.db2.gz MIEZGWQZPPEFEJ-CABCVRRESA-N -1 0 375.356 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598808346 996207989 /nfs/dbraw/zinc/20/79/89/996207989.db2.gz NACJEYKHACPFDJ-OLZOCXBDSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CNC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598808498 996209187 /nfs/dbraw/zinc/20/91/87/996209187.db2.gz MNWMOYUGXIRPDU-LSDHHAIUSA-N -1 0 377.397 0.338 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(Br)cnn2C)C[C@H]1C(=O)[O-] ZINC001598808455 996209214 /nfs/dbraw/zinc/20/92/14/996209214.db2.gz MBCFRCNMSRYJKY-HTQZYQBOSA-N -1 0 389.206 0.198 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@]2(C)OCCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808471 996209535 /nfs/dbraw/zinc/20/95/35/996209535.db2.gz MGBIAWIKKDHIKO-IQUTYRLHSA-N -1 0 376.409 0.990 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN(C)C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598809055 996214217 /nfs/dbraw/zinc/21/42/17/996214217.db2.gz GQIWCUNYFXLIJZ-UONOGXRCSA-N -1 0 378.381 0.587 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C[C@H]1C(=O)[O-] ZINC001598809011 996214533 /nfs/dbraw/zinc/21/45/33/996214533.db2.gz OZBJWXHTZPHLTJ-MGPQQGTHSA-N -1 0 384.429 0.968 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2ccc(CCC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809239 996216247 /nfs/dbraw/zinc/21/62/47/996216247.db2.gz HCAJLJJARKTRBF-CVEARBPZSA-N -1 0 377.393 0.919 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809449 996217832 /nfs/dbraw/zinc/21/78/32/996217832.db2.gz SEHNRFVEQHUBDY-ZLKJLUDKSA-N -1 0 383.422 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809529 996218702 /nfs/dbraw/zinc/21/87/02/996218702.db2.gz QSOREBMILCYMIT-ZIAGYGMSSA-N -1 0 398.437 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)n(C)n2)C[C@@H]1C(=O)[O-] ZINC001598809743 996220345 /nfs/dbraw/zinc/22/03/45/996220345.db2.gz RBQIMXDUHYGMEH-DTWKUNHWSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC001598809724 996220540 /nfs/dbraw/zinc/22/05/40/996220540.db2.gz QTSYKEHBRBRHRO-RYUDHWBXSA-N -1 0 381.360 0.071 20 0 GCADRM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@H](O)[C@H]2C(=O)[O-])CC1 ZINC001593713704 996224534 /nfs/dbraw/zinc/22/45/34/996224534.db2.gz MYNCJXSPBCRDPB-AYBZRNKSSA-N -1 0 375.469 0.802 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598810322 996225452 /nfs/dbraw/zinc/22/54/52/996225452.db2.gz SXBONOLIAVRQIM-MJBXVCDLSA-N -1 0 375.381 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](c2nccn2C)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598810432 996226750 /nfs/dbraw/zinc/22/67/50/996226750.db2.gz KRLHODLCOLGXMR-IVZWLZJFSA-N -1 0 377.319 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598810848 996230588 /nfs/dbraw/zinc/23/05/88/996230588.db2.gz LXOFWVGTPJGKIY-LSDHHAIUSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2c(C)nc3cc(F)c(F)cc32)C[C@@H]1C(=O)[O-] ZINC001598811115 996232605 /nfs/dbraw/zinc/23/26/05/996232605.db2.gz WMGGMGGJRNMUHM-VHSXEESVSA-N -1 0 381.335 0.955 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc3c2OCCCO3)C[C@H]1C(=O)[O-] ZINC001598811606 996236587 /nfs/dbraw/zinc/23/65/87/996236587.db2.gz AWSLUPZKPORARV-OLZOCXBDSA-N -1 0 378.381 0.863 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598811943 996238893 /nfs/dbraw/zinc/23/88/93/996238893.db2.gz OQPHCAYFXMQFKH-QWHCGFSZSA-N -1 0 393.392 0.999 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598811898 996238929 /nfs/dbraw/zinc/23/89/29/996238929.db2.gz XLNBJYFYKYVRFB-QWHCGFSZSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598813555 996250551 /nfs/dbraw/zinc/25/05/51/996250551.db2.gz GRIGBGDANXMGDM-NEPJUHHUSA-N -1 0 379.369 0.991 20 0 GCADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCNC(=O)CO ZINC001593720699 996252262 /nfs/dbraw/zinc/25/22/62/996252262.db2.gz ZFMLWWWGFJVMKN-LBPRGKRZSA-N -1 0 375.381 0.961 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)C[C@@H]1C(=O)[O-] ZINC001598814146 996255413 /nfs/dbraw/zinc/25/54/13/996255413.db2.gz XPCWQKHXEFAFMN-GRYCIOLGSA-N -1 0 388.417 0.248 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@@H]1C(=O)[O-] ZINC001598814274 996256501 /nfs/dbraw/zinc/25/65/01/996256501.db2.gz KAPKBBLAPCZMHA-STQMWFEESA-N -1 0 376.340 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598814248 996256557 /nfs/dbraw/zinc/25/65/57/996256557.db2.gz BQGOYRSVXDZWHZ-QWRGUYRKSA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@@H]1C(=O)[O-] ZINC001598814272 996256609 /nfs/dbraw/zinc/25/66/09/996256609.db2.gz KAPKBBLAPCZMHA-QWHCGFSZSA-N -1 0 376.340 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598814547 996258646 /nfs/dbraw/zinc/25/86/46/996258646.db2.gz ZGHVIEHBFLCBRR-GHMZBOCLSA-N -1 0 383.784 0.986 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598814962 996262645 /nfs/dbraw/zinc/26/26/45/996262645.db2.gz NLOTZSGYNUEMLM-QWHCGFSZSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@H]1C(=O)[O-] ZINC001598815138 996263412 /nfs/dbraw/zinc/26/34/12/996263412.db2.gz KRBIDSHRJKBWNF-MLGHIDQZSA-N -1 0 397.428 0.367 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)C[C@H]1C(=O)[O-] ZINC001598815169 996264533 /nfs/dbraw/zinc/26/45/33/996264533.db2.gz KYQQKOUFIGOOPP-MNOVXSKESA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598815218 996264846 /nfs/dbraw/zinc/26/48/46/996264846.db2.gz LTHXECZOCBFXRZ-WDEREUQCSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598815480 996266770 /nfs/dbraw/zinc/26/67/70/996266770.db2.gz MTGRIPBMVJUEBB-BETUJISGSA-N -1 0 380.353 0.576 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C[C@@H]1C(=O)[O-] ZINC001598815519 996267391 /nfs/dbraw/zinc/26/73/91/996267391.db2.gz NFASXRLUWJAAJP-QWHCGFSZSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598815917 996270101 /nfs/dbraw/zinc/27/01/01/996270101.db2.gz OYTPEABGPFGMIC-ZIAGYGMSSA-N -1 0 394.380 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598816200 996272750 /nfs/dbraw/zinc/27/27/50/996272750.db2.gz QFHLFLZPSRUQSW-KBPBESRZSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598816383 996274969 /nfs/dbraw/zinc/27/49/69/996274969.db2.gz SFQAPRNKZBESBU-KGLIPLIRSA-N -1 0 393.396 0.491 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598816385 996275033 /nfs/dbraw/zinc/27/50/33/996275033.db2.gz SFQAPRNKZBESBU-UONOGXRCSA-N -1 0 393.396 0.491 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)C[C@H]1C(=O)[O-] ZINC001598816615 996277607 /nfs/dbraw/zinc/27/76/07/996277607.db2.gz SNRVJHGRAHSBOF-QEPJRFBGSA-N -1 0 377.393 0.420 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598816693 996277986 /nfs/dbraw/zinc/27/79/86/996277986.db2.gz SXHBLUWPGLKREM-YFKTTZPYSA-N -1 0 386.401 0.001 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598817026 996281440 /nfs/dbraw/zinc/28/14/40/996281440.db2.gz UWJFUHFNWXXVAX-RYUDHWBXSA-N -1 0 390.352 0.080 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)C[C@H]1C(=O)[O-] ZINC001598817037 996281901 /nfs/dbraw/zinc/28/19/01/996281901.db2.gz UWMHGOQCDJIXLX-ZJUUUORDSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598817193 996282984 /nfs/dbraw/zinc/28/29/84/996282984.db2.gz SXRNSFRKWQBIRM-HOTGVXAUSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@@H]1C(=O)[O-] ZINC001598817212 996283109 /nfs/dbraw/zinc/28/31/09/996283109.db2.gz UCNOFICPXPIMGS-BYNSBNAKSA-N -1 0 395.456 0.145 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccnc2OCC(F)F)C[C@H]1C(=O)[O-] ZINC001598817935 996290698 /nfs/dbraw/zinc/29/06/98/996290698.db2.gz WXKXMIYKGAXXDE-GHMZBOCLSA-N -1 0 387.339 0.741 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001598818918 996302420 /nfs/dbraw/zinc/30/24/20/996302420.db2.gz MRRVEMJCFNLLMW-ZIAGYGMSSA-N -1 0 387.392 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598819137 996305266 /nfs/dbraw/zinc/30/52/66/996305266.db2.gz ZRMJHADZZHDMRY-WHOHXGKFSA-N -1 0 385.417 0.557 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598819524 996309124 /nfs/dbraw/zinc/30/91/24/996309124.db2.gz DSKMLMKFEGPUAH-FPMFFAJLSA-N -1 0 375.381 0.607 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001598819962 996314068 /nfs/dbraw/zinc/31/40/68/996314068.db2.gz VXRFPIHDXAIIEN-QWRGUYRKSA-N -1 0 375.385 0.373 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1C(=O)[O-] ZINC001598819953 996314118 /nfs/dbraw/zinc/31/41/18/996314118.db2.gz VOZYDCDOHZZQCF-RKDXNWHRSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c(F)cc(F)cc3c2O)C[C@H]1C(=O)[O-] ZINC001598819990 996314771 /nfs/dbraw/zinc/31/47/71/996314771.db2.gz DXDVITALGJFGFK-GHMZBOCLSA-N -1 0 380.303 0.752 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001598820134 996316037 /nfs/dbraw/zinc/31/60/37/996316037.db2.gz RSRKJLFYBWURQI-GFCCVEGCSA-N -1 0 388.417 0.178 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598820382 996318970 /nfs/dbraw/zinc/31/89/70/996318970.db2.gz WRPIAYPDUUACIP-LSDHHAIUSA-N -1 0 390.392 0.105 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc3[nH]c(C(C)(C)CO)nc3c2)C[C@H]1C(=O)[O-] ZINC001598820797 996323913 /nfs/dbraw/zinc/32/39/13/996323913.db2.gz IEFVUIIPJVKFHE-NEPJUHHUSA-N -1 0 389.408 0.779 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]c(C(C)(C)CO)nc3c2)C[C@@H]1C(=O)[O-] ZINC001598820799 996324166 /nfs/dbraw/zinc/32/41/66/996324166.db2.gz IEFVUIIPJVKFHE-NWDGAFQWSA-N -1 0 389.408 0.779 20 0 GCADRM C[C@@H](c1ncc(Br)cn1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593734441 996324069 /nfs/dbraw/zinc/32/40/69/996324069.db2.gz VSJCZPLVTYYIQW-WPRPVWTQSA-N -1 0 378.248 0.874 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc3[nH]c(C(C)(C)CO)nc3c2)C[C@@H]1C(=O)[O-] ZINC001598820800 996324331 /nfs/dbraw/zinc/32/43/31/996324331.db2.gz IEFVUIIPJVKFHE-RYUDHWBXSA-N -1 0 389.408 0.779 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001593736483 996325904 /nfs/dbraw/zinc/32/59/04/996325904.db2.gz AOQHIQHOXQIWNR-FRRDWIJNSA-N -1 0 380.470 0.527 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1C(=O)[O-] ZINC001598821177 996329232 /nfs/dbraw/zinc/32/92/32/996329232.db2.gz JOYLZLUZSLDZNQ-VXGBXAGGSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001598821234 996329681 /nfs/dbraw/zinc/32/96/81/996329681.db2.gz XIQQMCRNOCEIIS-GFCCVEGCSA-N -1 0 377.397 0.195 20 0 GCADRM C[C@@H](c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C[C@@H]1CCOC1)C(C)(C)O ZINC001593737069 996331863 /nfs/dbraw/zinc/33/18/63/996331863.db2.gz BWAJOMXTBYEWQI-RFGFWPKPSA-N -1 0 382.461 0.867 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001593737295 996334005 /nfs/dbraw/zinc/33/40/05/996334005.db2.gz MPQAHWLZZHRZSN-SJCJKPOMSA-N -1 0 380.470 0.672 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598821720 996335864 /nfs/dbraw/zinc/33/58/64/996335864.db2.gz LTNOJJHMYGQGOK-HUUCEWRRSA-N -1 0 395.433 0.959 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)C[C@H]1C(=O)[O-] ZINC001598821777 996335928 /nfs/dbraw/zinc/33/59/28/996335928.db2.gz LYBSMGPGNFZLHP-HTQZYQBOSA-N -1 0 386.286 0.923 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C(=O)[O-] ZINC001598821979 996338589 /nfs/dbraw/zinc/33/85/89/996338589.db2.gz NICGUNANOQSJHK-UWVGGRQHSA-N -1 0 391.348 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598821937 996338633 /nfs/dbraw/zinc/33/86/33/996338633.db2.gz MUFAETNSTDWAAI-VHSXEESVSA-N -1 0 376.287 0.969 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001593737952 996341186 /nfs/dbraw/zinc/34/11/86/996341186.db2.gz UTJCPHXOEUELHK-GFCCVEGCSA-N -1 0 376.438 0.908 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccccc2CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598822265 996341772 /nfs/dbraw/zinc/34/17/72/996341772.db2.gz PBGLIODPBYSFKY-HZPDHXFCSA-N -1 0 376.409 0.465 20 0 GCADRM COC(=O)[C@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H]1C(=O)[O-] ZINC001598823138 996351908 /nfs/dbraw/zinc/35/19/08/996351908.db2.gz VIJAVOMRXRTYKV-RYUDHWBXSA-N -1 0 389.408 0.556 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@H]1C(=O)[O-] ZINC001598823376 996355364 /nfs/dbraw/zinc/35/53/64/996355364.db2.gz CFWVVYHGEMABJN-NEPJUHHUSA-N -1 0 380.378 0.022 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)C[C@H]1C(=O)[O-] ZINC001598823456 996355999 /nfs/dbraw/zinc/35/59/99/996355999.db2.gz CTPKKKUIWZSENK-UGUYLWEFSA-N -1 0 397.449 0.824 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C[C@@H]1C(=O)OC ZINC001598823896 996360202 /nfs/dbraw/zinc/36/02/02/996360202.db2.gz DPASQSYQPWKUFG-STQMWFEESA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H]1C(=O)[O-] ZINC001598823982 996361113 /nfs/dbraw/zinc/36/11/13/996361113.db2.gz FHRGXGDNQIZLOD-IUCAKERBSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001598824743 996369575 /nfs/dbraw/zinc/36/95/75/996369575.db2.gz JHVZORKOHRJEEC-SECBINFHSA-N -1 0 384.385 0.827 20 0 GCADRM C[C@@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)Oc2ccccc2NC1=O ZINC001593748551 996381235 /nfs/dbraw/zinc/38/12/35/996381235.db2.gz XZVDJDJVOUMRQV-MOPGFXCFSA-N -1 0 389.408 0.164 20 0 GCADRM COC(=O)[C@@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C(=O)[O-] ZINC001598826496 996388817 /nfs/dbraw/zinc/38/88/17/996388817.db2.gz IAWIHRNLAACCHY-CHWSQXEVSA-N -1 0 386.426 0.370 20 0 GCADRM COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001598826619 996390081 /nfs/dbraw/zinc/39/00/81/996390081.db2.gz JPGSZWWIMZGADV-GFCCVEGCSA-N -1 0 376.818 0.564 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001598826818 996391559 /nfs/dbraw/zinc/39/15/59/996391559.db2.gz WVMOMXXTPJVQEK-JTQLQIEISA-N -1 0 393.414 0.812 20 0 GCADRM COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598826927 996392800 /nfs/dbraw/zinc/39/28/00/996392800.db2.gz KNYRUBOEXOGRTR-JTQLQIEISA-N -1 0 378.353 0.189 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])Cc2ccccc21 ZINC001598827023 996393681 /nfs/dbraw/zinc/39/36/81/996393681.db2.gz OSPWYLPRPWXVDF-LBPRGKRZSA-N -1 0 379.394 0.877 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])CCO1 ZINC001598827316 996396275 /nfs/dbraw/zinc/39/62/75/996396275.db2.gz MNECRXHLAXQXQP-GFCCVEGCSA-N -1 0 380.378 0.496 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC001598828031 996405429 /nfs/dbraw/zinc/40/54/29/996405429.db2.gz USOANWDZLVPUTI-NWDGAFQWSA-N -1 0 385.394 0.342 20 0 GCADRM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598828392 996409462 /nfs/dbraw/zinc/40/94/62/996409462.db2.gz CARLVAQGQSEVPV-CABCVRRESA-N -1 0 390.392 0.142 20 0 GCADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CCCS1(=O)=O ZINC001593757937 996411061 /nfs/dbraw/zinc/41/10/61/996411061.db2.gz FNNBVSOTFZFSQL-AWEZNQCLSA-N -1 0 375.424 0.694 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC001598828741 996413171 /nfs/dbraw/zinc/41/31/71/996413171.db2.gz XMUXWDKESHBBIE-BDAKNGLRSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@H]1CN(c2nnc(C(C)(C)c3nccs3)n2C)C[C@@H]1C(=O)[O-] ZINC001598828783 996413191 /nfs/dbraw/zinc/41/31/91/996413191.db2.gz SJZWDFBLODXGFD-UWVGGRQHSA-N -1 0 379.442 0.908 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H](OC)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598828729 996413528 /nfs/dbraw/zinc/41/35/28/996413528.db2.gz XMBBTEFXJCOEMP-BFHYXJOUSA-N -1 0 377.459 0.717 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598829224 996418381 /nfs/dbraw/zinc/41/83/81/996418381.db2.gz UDCFXJPRNHWXQZ-YNEHKIRRSA-N -1 0 380.445 0.922 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001598829279 996418406 /nfs/dbraw/zinc/41/84/06/996418406.db2.gz ULLDTDZUFMJNCL-NKWVEPMBSA-N -1 0 383.209 0.883 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3ccnc(F)c3)CC2)C1 ZINC001593763079 996436241 /nfs/dbraw/zinc/43/62/41/996436241.db2.gz ZKVRJMWRGRLQLN-SFHVURJKSA-N -1 0 378.404 0.583 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC001593771487 996465593 /nfs/dbraw/zinc/46/55/93/996465593.db2.gz SLVZRTFONLRVNC-QGZVFWFLSA-N -1 0 379.417 0.461 20 0 GCADRM COC(=O)C[C@@](C)(NS(=O)(=O)c1scnc1C(=O)[O-])c1ccncc1 ZINC001598835706 996482397 /nfs/dbraw/zinc/48/23/97/996482397.db2.gz KSRDTJMAVXWLBU-CQSZACIVSA-N -1 0 385.423 0.993 20 0 GCADRM COC(=O)C[C@](C)(NS(=O)(=O)c1csnc1C(=O)[O-])c1ccccn1 ZINC001598836133 996486128 /nfs/dbraw/zinc/48/61/28/996486128.db2.gz UQHABYMOIHYZRA-AWEZNQCLSA-N -1 0 385.423 0.993 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(c2nnc([C@H]3CNC(=O)C3)n2C[C@H]2CCCO2)C1 ZINC001593782982 996491524 /nfs/dbraw/zinc/49/15/24/996491524.db2.gz HUAHUBNQFBGJON-VFVRVIDISA-N -1 0 377.445 0.752 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 ZINC001593783405 996495017 /nfs/dbraw/zinc/49/50/17/996495017.db2.gz LPTLMBFQNXKQRU-SFHVURJKSA-N -1 0 377.397 0.324 20 0 GCADRM COC(=O)C[C@@H](NC(=O)Cc1ccc(I)cc1)C(=O)[O-] ZINC001598837494 996497861 /nfs/dbraw/zinc/49/78/61/996497861.db2.gz OWXSKIDEISMWGD-SNVBAGLBSA-N -1 0 391.161 0.966 20 0 GCADRM COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)[O-] ZINC001598837614 996498318 /nfs/dbraw/zinc/49/83/18/996498318.db2.gz NYKSFYAYZXWXAW-QPUJVOFHSA-N -1 0 386.763 0.965 20 0 GCADRM COC(=O)C[C@@H](NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1)C(=O)[O-] ZINC001598837595 996498601 /nfs/dbraw/zinc/49/86/01/996498601.db2.gz NIGNLTPAVIYQKZ-TZMCWYRMSA-N -1 0 380.353 0.329 20 0 GCADRM COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)[O-] ZINC001598837615 996498967 /nfs/dbraw/zinc/49/89/67/996498967.db2.gz NYKSFYAYZXWXAW-UFBFGSQYSA-N -1 0 386.763 0.965 20 0 GCADRM COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC001598837888 996500930 /nfs/dbraw/zinc/50/09/30/996500930.db2.gz OMUMMLKRYOHVHT-TZMCWYRMSA-N -1 0 380.372 0.810 20 0 GCADRM COC(=O)C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)[O-] ZINC001598838547 996505904 /nfs/dbraw/zinc/50/59/04/996505904.db2.gz XHMLITCJMSSEFC-NSHDSACASA-N -1 0 392.389 0.481 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(=O)[O-] ZINC001598838719 996506922 /nfs/dbraw/zinc/50/69/22/996506922.db2.gz CQVMLNMBRKNYFU-CBAPKCEASA-N -1 0 378.428 0.240 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(=O)OC ZINC001598839228 996511306 /nfs/dbraw/zinc/51/13/06/996511306.db2.gz IMCKBUVEUQMKIF-NSHDSACASA-N -1 0 396.377 0.316 20 0 GCADRM COC(=O)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C)C(=O)[O-] ZINC001598840264 996519378 /nfs/dbraw/zinc/51/93/78/996519378.db2.gz PVJYBLBKKACDEJ-LLVKDONJSA-N -1 0 392.389 0.724 20 0 GCADRM COC(=O)C[C@@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])c1ccc(OC)cc1OC ZINC001598841309 996528181 /nfs/dbraw/zinc/52/81/81/996528181.db2.gz RZEGWCPXTUPEBK-GXFFZTMASA-N -1 0 389.426 0.948 20 0 GCADRM COC(=O)CC1(NC(=O)c2cc(C)cc(C(=O)[O-])c2)CCS(=O)(=O)CC1 ZINC001598842891 996540184 /nfs/dbraw/zinc/54/01/84/996540184.db2.gz ASZJVZZCEFJTPS-UHFFFAOYSA-N -1 0 383.422 0.934 20 0 GCADRM COC(=O)C[C@]1(NC(=O)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CCOC1 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COC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]c2noc(C)n2)C1 ZINC000349484688 530878178 /nfs/dbraw/zinc/87/81/78/530878178.db2.gz YNONYPZOUHTZRR-UHFFFAOYSA-N -1 0 388.427 0.198 20 0 GCADRM CC(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000349532603 530878384 /nfs/dbraw/zinc/87/83/84/530878384.db2.gz BFQZZNSUXWFCDK-UHFFFAOYSA-N -1 0 384.505 0.044 20 0 GCADRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H]1CCOC1 ZINC000349490847 530879821 /nfs/dbraw/zinc/87/98/21/530879821.db2.gz GWDLXNJYBFHGSP-LBPRGKRZSA-N -1 0 381.476 0.413 20 0 GCADRM CC[C@H]1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CC1 ZINC000349492980 530880122 /nfs/dbraw/zinc/88/01/22/530880122.db2.gz MFHHDXMBWIGNGK-LBPRGKRZSA-N -1 0 379.508 0.778 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N1CCCc2n[nH]cc21)[N-]c1nncs1 ZINC000349496018 530881369 /nfs/dbraw/zinc/88/13/69/530881369.db2.gz OUWGYDDEHKCCSA-UHFFFAOYSA-N -1 0 392.488 0.176 20 0 GCADRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nnc(C(C)C)o2)C1 ZINC000349500034 530882251 /nfs/dbraw/zinc/88/22/51/530882251.db2.gz CPIUPVWJILTFQD-UHFFFAOYSA-N -1 0 396.491 0.375 20 0 GCADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349498633 530882282 /nfs/dbraw/zinc/88/22/82/530882282.db2.gz CRTISJSDXHAJOX-FRRDWIJNSA-N -1 0 391.519 0.919 20 0 GCADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](C)C2)s1 ZINC000349499425 530882287 /nfs/dbraw/zinc/88/22/87/530882287.db2.gz FHQYSIRJVRZRLH-JTQLQIEISA-N -1 0 382.533 0.904 20 0 GCADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349498635 530882388 /nfs/dbraw/zinc/88/23/88/530882388.db2.gz CRTISJSDXHAJOX-JHJVBQTASA-N -1 0 391.519 0.919 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)C[C@H](C)N1C ZINC000349501226 530882826 /nfs/dbraw/zinc/88/28/26/530882826.db2.gz GKBCJNAWXVOMTO-TXEJJXNPSA-N -1 0 380.492 0.161 20 0 GCADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000349504118 530883569 /nfs/dbraw/zinc/88/35/69/530883569.db2.gz 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CN(CC1(O)CCCC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000349508460 530885368 /nfs/dbraw/zinc/88/53/68/530885368.db2.gz MUHMQMNGZWDILM-UHFFFAOYSA-N -1 0 381.476 0.373 20 0 GCADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]2CC[C@@H](C)C2)n[nH]1 ZINC000349507840 530885502 /nfs/dbraw/zinc/88/55/02/530885502.db2.gz WAGBGJFYASYIGC-NEPJUHHUSA-N -1 0 393.535 0.949 20 0 GCADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C)no1 ZINC000349509917 530885551 /nfs/dbraw/zinc/88/55/51/530885551.db2.gz ZUQAXFLYHSLKFU-SNVBAGLBSA-N -1 0 398.532 0.531 20 0 GCADRM COc1cc(S(N)(=O)=O)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000504053991 530886210 /nfs/dbraw/zinc/88/62/10/530886210.db2.gz CWLBLPGXWPNIKN-UHFFFAOYSA-N -1 0 386.455 0.676 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1F)[N-]c1nncs1 ZINC000349531981 530886807 /nfs/dbraw/zinc/88/68/07/530886807.db2.gz ARBBZAZBCOYEDQ-NXEZZACHSA-N -1 0 386.496 0.870 20 0 GCADRM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CCS1 ZINC000349514903 530886855 /nfs/dbraw/zinc/88/68/55/530886855.db2.gz VOTYCQGWAZTNJT-NSHDSACASA-N -1 0 383.517 0.964 20 0 GCADRM O=C(N=c1nc2cc(Br)ccn2[n-]1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000653594659 530887600 /nfs/dbraw/zinc/88/76/00/530887600.db2.gz XODMHQMJEBRCIY-ZJUUUORDSA-N -1 0 379.218 0.799 20 0 GCADRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)[C@@H]2CCOC2)c1C ZINC000349532184 530887621 /nfs/dbraw/zinc/88/76/21/530887621.db2.gz AZCLIYFQJNTZEQ-DGCLKSJQSA-N -1 0 395.503 0.768 20 0 GCADRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C2CC2)n1 ZINC000349516929 530887871 /nfs/dbraw/zinc/88/78/71/530887871.db2.gz KPKRUCSDAZTNOU-LBPRGKRZSA-N -1 0 376.504 0.977 20 0 GCADRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)s1 ZINC000349516632 530888150 /nfs/dbraw/zinc/88/81/50/530888150.db2.gz KCMKMTCKGVEZGU-SNVBAGLBSA-N -1 0 398.532 0.019 20 0 GCADRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2C2CCC2)nn1 ZINC000349521142 530888723 /nfs/dbraw/zinc/88/87/23/530888723.db2.gz LCVHEFAPXQBRKF-ZDUSSCGKSA-N -1 0 391.519 0.541 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N1CCOC1)[N-]c1nc(C2CC2)cs1 ZINC000349519939 530888763 /nfs/dbraw/zinc/88/87/63/530888763.db2.gz IOAFZCAZDYVRJH-UHFFFAOYSA-N -1 0 381.501 0.772 20 0 GCADRM CN(Cc1ccoc1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349519747 530888802 /nfs/dbraw/zinc/88/88/02/530888802.db2.gz PZZCWTGGTZOYGJ-UHFFFAOYSA-N -1 0 376.460 0.607 20 0 GCADRM CC1(C)Cc2cc(S(=O)(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)ccc2O1 ZINC000424373697 530889414 /nfs/dbraw/zinc/88/94/14/530889414.db2.gz XYOSHFPUYRYDJB-ZDUSSCGKSA-N -1 0 389.451 0.272 20 0 GCADRM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@H]1O ZINC000349465083 530889829 /nfs/dbraw/zinc/88/98/29/530889829.db2.gz OKLSPTWZYLZJPE-WDEREUQCSA-N -1 0 383.517 0.307 20 0 GCADRM CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C[C@H]1O ZINC000349468661 530890486 /nfs/dbraw/zinc/89/04/86/530890486.db2.gz VPNLCDOKLSTUFW-SNVBAGLBSA-N -1 0 383.517 0.307 20 0 GCADRM O=S(=O)([N-]CC(F)(F)F)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349469414 530891335 /nfs/dbraw/zinc/89/13/35/530891335.db2.gz KOIGQHZZSUWVAT-RKDXNWHRSA-N -1 0 388.389 0.329 20 0 GCADRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC23CCC3)no1 ZINC000349472710 530891468 /nfs/dbraw/zinc/89/14/68/530891468.db2.gz HEINJLMYRKOJGP-UHFFFAOYSA-N -1 0 378.476 0.722 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H]2CCCC[C@@H]21)[N-]c1nc[nH]n1 ZINC000349472940 530891552 /nfs/dbraw/zinc/89/15/52/530891552.db2.gz XPTXVMZPTQGCKM-RYUDHWBXSA-N -1 0 377.492 0.531 20 0 GCADRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC(C)(C)C2)n1 ZINC000349565766 530892942 /nfs/dbraw/zinc/89/29/42/530892942.db2.gz DIOVYVJAXWIPPC-LLVKDONJSA-N -1 0 379.508 0.445 20 0 GCADRM CC(=O)Nc1cccnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N(C)C ZINC000349569727 530893329 /nfs/dbraw/zinc/89/33/29/530893329.db2.gz WFHGOWMLERTPFH-UHFFFAOYSA-N -1 0 378.476 0.453 20 0 GCADRM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000349568704 530893558 /nfs/dbraw/zinc/89/35/58/530893558.db2.gz PAOOLQDBHLQMJJ-NEPJUHHUSA-N -1 0 379.508 0.682 20 0 GCADRM C[C@@H]1CCC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349571508 530894015 /nfs/dbraw/zinc/89/40/15/530894015.db2.gz YXQWTUWVPXPDLF-VXGBXAGGSA-N -1 0 379.508 0.445 20 0 GCADRM O=S(=O)(CCCS(=O)(=O)N1CCCC1)[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000349572363 530894164 /nfs/dbraw/zinc/89/41/64/530894164.db2.gz HJFQWALBMBMCCX-NSHDSACASA-N -1 0 394.475 0.479 20 0 GCADRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CC23CC3)s1 ZINC000349574417 530894390 /nfs/dbraw/zinc/89/43/90/530894390.db2.gz MJBDWTCLULKMOV-JTQLQIEISA-N -1 0 380.517 0.698 20 0 GCADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)no1 ZINC000349577147 530895069 /nfs/dbraw/zinc/89/50/69/530895069.db2.gz UEJDSRGRKPNNSM-DRZSPHRISA-N -1 0 395.503 0.848 20 0 GCADRM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000505847882 530895237 /nfs/dbraw/zinc/89/52/37/530895237.db2.gz IIBYJDOEPARBCE-SECBINFHSA-N -1 0 377.440 0.637 20 0 GCADRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](O)CC2)no1 ZINC000349609377 530911304 /nfs/dbraw/zinc/91/13/04/530911304.db2.gz ALROTEYLXPUIIH-HAQNSBGRSA-N -1 0 381.476 0.338 20 0 GCADRM Cc1onc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCO[C@@H]2C)c1C ZINC000349581535 530895735 /nfs/dbraw/zinc/89/57/35/530895735.db2.gz GBHCMUXWUHPAKZ-CHWSQXEVSA-N -1 0 395.503 0.910 20 0 GCADRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@@H](C)C2)sc1C ZINC000349580307 530895777 /nfs/dbraw/zinc/89/57/77/530895777.db2.gz UPUIURKWSJEKFS-CABZTGNLSA-N -1 0 397.544 0.989 20 0 GCADRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCCOCC2)no1 ZINC000349581519 530895880 /nfs/dbraw/zinc/89/58/80/530895880.db2.gz FYGLOQCKDJSORH-ZDUSSCGKSA-N -1 0 395.503 0.993 20 0 GCADRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCCSC2)n1 ZINC000349581801 530895954 /nfs/dbraw/zinc/89/59/54/530895954.db2.gz GOPYIFCHNGXNDA-NSHDSACASA-N -1 0 397.548 0.152 20 0 GCADRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCOC2)c1C ZINC000349586576 530896882 /nfs/dbraw/zinc/89/68/82/530896882.db2.gz BZUJULNREIZUFH-ZDUSSCGKSA-N -1 0 395.503 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597746789 /nfs/dbraw/zinc/74/67/89/597746789.db2.gz CZIWLWWSCFKBQC-GOSISDBHSA-N -1 0 376.434 0.970 20 0 GCADRM O=C([O-])CNC(=O)CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000821534189 597752535 /nfs/dbraw/zinc/75/25/35/597752535.db2.gz HWGZISCXVOYHNG-UHFFFAOYSA-N -1 0 376.438 0.755 20 0 GCADRM C[C@]1(c2ccc(Br)cc2)CC(=O)N(CC(=O)NCC(=O)[O-])C1=O ZINC000820214909 597761187 /nfs/dbraw/zinc/76/11/87/597761187.db2.gz IESXRXIDMAUZRN-OAHLLOKOSA-N -1 0 383.198 0.667 20 0 GCADRM O=C([O-])CNC(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000262248577 597766610 /nfs/dbraw/zinc/76/66/10/597766610.db2.gz PYYWKPLKGODBTE-UHFFFAOYSA-N -1 0 393.831 0.708 20 0 GCADRM O=C([O-])CNC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000821532943 597827100 /nfs/dbraw/zinc/82/71/00/597827100.db2.gz VDPGVLIPDACPAI-UHFFFAOYSA-N -1 0 390.439 0.280 20 0 GCADRM O=C([O-])CNC(=O)COC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000821532470 597832490 /nfs/dbraw/zinc/83/24/90/597832490.db2.gz NVQAPDMTNMAGIK-UHFFFAOYSA-N -1 0 384.410 0.265 20 0 GCADRM 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393.440 0.873 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)C(=O)[O-] ZINC000424498617 1194818181 /nfs/dbraw/zinc/81/81/81/1194818181.db2.gz XEVLBCTUGIOANJ-OCCSQVGLSA-N -1 0 379.413 0.741 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)C(=O)[O-] ZINC000424499224 1194818612 /nfs/dbraw/zinc/81/86/12/1194818612.db2.gz KNSQAPVAGRMZOF-LBPRGKRZSA-N -1 0 393.444 0.039 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCCS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000424508060 1194819131 /nfs/dbraw/zinc/81/91/31/1194819131.db2.gz VAGHKWCFVMSYAE-UHFFFAOYSA-N -1 0 388.417 0.333 20 0 GCADRM CC(C)C[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000424513835 1194820332 /nfs/dbraw/zinc/82/03/32/1194820332.db2.gz FCXPIOZOKLPIGC-KBPBESRZSA-N -1 0 375.425 0.771 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000424521781 1194821346 /nfs/dbraw/zinc/82/13/46/1194821346.db2.gz QYVKYBVXCKNGTP-UHFFFAOYSA-N -1 0 378.429 0.152 20 0 GCADRM 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COC(=O)C1CC2(C1)CN(C(=O)CNC(=O)NC1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001593821563 955044040 /nfs/dbraw/zinc/04/40/40/955044040.db2.gz LUBYPFYURUYYMR-GBRVTDDUSA-N -1 0 395.456 0.731 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](OC)C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-] ZINC001593821736 955045999 /nfs/dbraw/zinc/04/59/99/955045999.db2.gz VCAUWWUPUCIJTM-HKXURECYSA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCC1(O)CCOCC1)C[C@H]2C(=O)[O-] ZINC001593821771 955046112 /nfs/dbraw/zinc/04/61/12/955046112.db2.gz NQNXTGFKBJPEPD-JZLYGMAVSA-N -1 0 384.429 0.213 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](OC)C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-] ZINC001593821738 955046165 /nfs/dbraw/zinc/04/61/65/955046165.db2.gz VCAUWWUPUCIJTM-ICBQKXGSSA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCOC[C@@H]1CCCO1)C[C@H]2C(=O)[O-] ZINC001593821819 955047646 /nfs/dbraw/zinc/04/76/46/955047646.db2.gz ORNGRMAQYXXLLU-LPRCSBTHSA-N -1 0 398.456 0.868 20 0 GCADRM 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LWJQUNHPJMPRMA-AWEZNQCLSA-N -1 0 387.186 0.126 20 0 GCADRM C[C@@](CO)(NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C(=O)[O-] ZINC001592751072 979319638 /nfs/dbraw/zinc/31/96/38/979319638.db2.gz WGTOKUUVWXSHHB-SFHVURJKSA-N -1 0 378.425 0.769 20 0 GCADRM CCC(CC)(CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)C(=O)[O-] ZINC001595064816 979328517 /nfs/dbraw/zinc/32/85/17/979328517.db2.gz MNZPMRQZTYOBQJ-CYBMUJFWSA-N -1 0 381.404 0.807 20 0 GCADRM C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001592755290 979328838 /nfs/dbraw/zinc/32/88/38/979328838.db2.gz CXFFGRFSWQYSIJ-JRPNMDOOSA-N -1 0 380.363 0.862 20 0 GCADRM O=C([O-])CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843048768 979332406 /nfs/dbraw/zinc/33/24/06/979332406.db2.gz XDYOELSBEITSCR-OCCSQVGLSA-N -1 0 375.381 0.599 20 0 GCADRM CCn1nc(C)c(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000843259282 979333377 /nfs/dbraw/zinc/33/33/77/979333377.db2.gz JNMSLSYLFHYFLX-CABCVRRESA-N -1 0 385.424 0.549 20 0 GCADRM O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000843338291 979341239 /nfs/dbraw/zinc/34/12/39/979341239.db2.gz FOFTVSHHMPFBLC-UHFFFAOYSA-N -1 0 380.426 0.651 20 0 GCADRM Cc1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1S(N)(=O)=O ZINC000844156370 979343880 /nfs/dbraw/zinc/34/38/80/979343880.db2.gz GAPVEHRCICCYOG-LBPRGKRZSA-N -1 0 393.425 0.409 20 0 GCADRM Cc1ccc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1S(N)(=O)=O ZINC000844156368 979343984 /nfs/dbraw/zinc/34/39/84/979343984.db2.gz GAPVEHRCICCYOG-GFCCVEGCSA-N -1 0 393.425 0.409 20 0 GCADRM Cc1cc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1-n1cnnn1 ZINC000844158101 979349043 /nfs/dbraw/zinc/34/90/43/979349043.db2.gz TZSACIVWRDDALH-ZDUSSCGKSA-N -1 0 382.384 0.738 20 0 GCADRM Cc1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1S(N)(=O)=O ZINC000844158481 979349509 /nfs/dbraw/zinc/34/95/09/979349509.db2.gz WTGBEHFJSSFVQS-GFCCVEGCSA-N -1 0 393.425 0.409 20 0 GCADRM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)nn1 ZINC000844158422 979349940 /nfs/dbraw/zinc/34/99/40/979349940.db2.gz VKUDZPYXSVOHCU-TZMCWYRMSA-N -1 0 375.429 0.931 20 0 GCADRM Cn1nc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c2ccccc2c1=O ZINC000844159716 979351581 /nfs/dbraw/zinc/35/15/81/979351581.db2.gz ZGLNLZNHCGJVAY-NSHDSACASA-N -1 0 382.380 0.701 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC001592761535 979351436 /nfs/dbraw/zinc/35/14/36/979351436.db2.gz DTXCQEGSCJVYFU-ABAIWWIYSA-N -1 0 393.421 0.296 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc1 ZINC001592761920 979353292 /nfs/dbraw/zinc/35/32/92/979353292.db2.gz KWHCYJIZERSDMI-LLVKDONJSA-N -1 0 394.405 0.796 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001592762267 979356451 /nfs/dbraw/zinc/35/64/51/979356451.db2.gz QHEZZKXFWWBPEJ-KWQFWETISA-N -1 0 398.359 0.481 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC001592762463 979356765 /nfs/dbraw/zinc/35/67/65/979356765.db2.gz RENGBGGPFDOTEI-DOMZBBRYSA-N -1 0 396.465 0.673 20 0 GCADRM C[C@@](COC(=O)CN1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])c1ccccc1 ZINC001592765381 979371467 /nfs/dbraw/zinc/37/14/67/979371467.db2.gz SMFNWQGZTXNLFO-KRWDZBQOSA-N -1 0 384.454 0.149 20 0 GCADRM C[C@@H](COCC(F)(F)F)NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001592769202 979378688 /nfs/dbraw/zinc/37/86/88/979378688.db2.gz LAVKKHOOZRPRFL-PKFCDNJMSA-N -1 0 382.335 0.020 20 0 GCADRM COc1ccc(CCC(=O)N2CCCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000844247523 979392408 /nfs/dbraw/zinc/39/24/08/979392408.db2.gz PWBAPXYCEWAFDH-UHFFFAOYSA-N -1 0 378.425 0.790 20 0 GCADRM C[C@H](COCC1CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592777165 979406015 /nfs/dbraw/zinc/40/60/15/979406015.db2.gz XYQFRPMEMSIPLT-KTYIZKFGSA-N -1 0 388.486 0.911 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C(=O)[O-] ZINC001592799631 979453216 /nfs/dbraw/zinc/45/32/16/979453216.db2.gz XAWKBPZOEFPUJK-AGIUHOORSA-N -1 0 378.447 0.407 20 0 GCADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccccc21 ZINC000846718437 979463791 /nfs/dbraw/zinc/46/37/91/979463791.db2.gz WVSDVSWENBVRFX-CABCVRRESA-N -1 0 387.417 0.913 20 0 GCADRM C[C@@H](CS(=O)(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C(=O)[O-] ZINC001592806477 979469636 /nfs/dbraw/zinc/46/96/36/979469636.db2.gz HUZLAXYZHLFWEF-RCOVLWMOSA-N -1 0 392.231 0.347 20 0 GCADRM CCC(CC)N1C[C@@H](C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)CC1=O ZINC001595117334 979482369 /nfs/dbraw/zinc/48/23/69/979482369.db2.gz YQBOVMHVIOAWKJ-LBPRGKRZSA-N -1 0 388.486 0.562 20 0 GCADRM C[C@H](CS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC001592809674 979491109 /nfs/dbraw/zinc/49/11/09/979491109.db2.gz SKYIWVIQGMCPCX-MRVPVSSYSA-N -1 0 394.247 0.214 20 0 GCADRM C[C@H](CS(C)(=O)=O)C(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001592813707 979496579 /nfs/dbraw/zinc/49/65/79/979496579.db2.gz DGAZVHRQVHAJEI-VXGBXAGGSA-N -1 0 392.474 0.590 20 0 GCADRM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001592813884 979498387 /nfs/dbraw/zinc/49/83/87/979498387.db2.gz JMUAPOLRSYNBHK-IAQYHMDHSA-N -1 0 387.429 0.920 20 0 GCADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001592813885 979498402 /nfs/dbraw/zinc/49/84/02/979498402.db2.gz JMUAPOLRSYNBHK-NHYWBVRUSA-N -1 0 387.429 0.920 20 0 GCADRM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001592814217 979501223 /nfs/dbraw/zinc/50/12/23/979501223.db2.gz OTLLFJSTSMATFM-VWYCJHECSA-N -1 0 388.417 0.330 20 0 GCADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592814691 979504247 /nfs/dbraw/zinc/50/42/47/979504247.db2.gz XEJBIJSSRZYWJB-GWCFXTLKSA-N -1 0 389.401 0.568 20 0 GCADRM C[C@H](CS(=O)(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC001592816312 979515207 /nfs/dbraw/zinc/51/52/07/979515207.db2.gz OCOHWRITKPEFDS-LLVKDONJSA-N -1 0 378.472 0.218 20 0 GCADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1 ZINC000851600967 979520590 /nfs/dbraw/zinc/52/05/90/979520590.db2.gz IIYHKPPFJHKPJH-UHFFFAOYSA-N -1 0 387.502 0.752 20 0 GCADRM CC[C@H](CNC(=O)C(=O)N1CC[C@@](OC)(C(=O)[O-])C1)Oc1cccc(F)c1 ZINC001595131051 979547508 /nfs/dbraw/zinc/54/75/08/979547508.db2.gz IUWAIIIMIVYJRF-ACJLOTCBSA-N -1 0 382.388 0.801 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)C(=O)[O-] ZINC001595132552 979556791 /nfs/dbraw/zinc/55/67/91/979556791.db2.gz AQTOBAVHPLCMDT-JTQLQIEISA-N -1 0 376.369 0.251 20 0 GCADRM O=C([O-])c1cn(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)nn1 ZINC000851623275 979557711 /nfs/dbraw/zinc/55/77/11/979557711.db2.gz NIUXSGZWWLGHPU-GFCCVEGCSA-N -1 0 375.429 0.931 20 0 GCADRM Cc1cc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)ccc1-n1cnnn1 ZINC000851623446 979558339 /nfs/dbraw/zinc/55/83/39/979558339.db2.gz RKQVNSNFNOZYFB-UHFFFAOYSA-N -1 0 382.384 0.738 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)[O-] ZINC001595133245 979560215 /nfs/dbraw/zinc/56/02/15/979560215.db2.gz HUNRLSZNQZODLT-NSHDSACASA-N -1 0 385.442 0.539 20 0 GCADRM C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001592832146 979562274 /nfs/dbraw/zinc/56/22/74/979562274.db2.gz MCZABRUHJDPNRR-NHYWBVRUSA-N -1 0 383.395 0.677 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001595134581 979566892 /nfs/dbraw/zinc/56/68/92/979566892.db2.gz YBOVEENUYKWEIU-RYUDHWBXSA-N -1 0 375.381 0.057 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C(=O)OC ZINC001595135504 979576883 /nfs/dbraw/zinc/57/68/83/979576883.db2.gz UQXVNOIRZUNMNB-IUCAKERBSA-N -1 0 383.426 0.587 20 0 GCADRM CC[C@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001595138958 979585895 /nfs/dbraw/zinc/58/58/95/979585895.db2.gz UVUFOZWIXNDZTF-ZWNOBZJWSA-N -1 0 375.381 0.144 20 0 GCADRM COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000852958328 979591227 /nfs/dbraw/zinc/59/12/27/979591227.db2.gz JJNNRVCBKQDNTP-UHFFFAOYSA-N -1 0 386.426 0.726 20 0 GCADRM CC[C@](CNC(=O)CNS(=O)(=O)c1cnn(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595144473 979608572 /nfs/dbraw/zinc/60/85/72/979608572.db2.gz OZWYSWDCPFGJBL-QGZVFWFLSA-N -1 0 394.453 0.247 20 0 GCADRM CN(CC(=O)N1CCCCC[C@H]1C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000856953367 979612969 /nfs/dbraw/zinc/61/29/69/979612969.db2.gz RKBNCOSOTVASMZ-ZDUSSCGKSA-N -1 0 379.438 0.923 20 0 GCADRM CC[C@@](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)(C(=O)[O-])c1ccccc1 ZINC001595146610 979621546 /nfs/dbraw/zinc/62/15/46/979621546.db2.gz GTADCHTYZHWAHU-YOEHRIQHSA-N -1 0 383.470 0.882 20 0 GCADRM Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000857253368 979626762 /nfs/dbraw/zinc/62/67/62/979626762.db2.gz KYEKOQSPZQSZGI-KDOFPFPSSA-N -1 0 378.429 0.015 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1)C(=O)[O-] ZINC001592852791 979638460 /nfs/dbraw/zinc/63/84/60/979638460.db2.gz FHEDJEQDIRFZFJ-BLLLJJGKSA-N -1 0 378.425 0.792 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NCCC2CS(=O)(=O)C2)cc1)C(=O)[O-] ZINC001592854072 979648202 /nfs/dbraw/zinc/64/82/02/979648202.db2.gz QGRFLIPMICCLKU-NSHDSACASA-N -1 0 382.438 0.439 20 0 GCADRM C[C@@](Cc1ccc(F)cc1)(NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592854718 979656496 /nfs/dbraw/zinc/65/64/96/979656496.db2.gz WCJOIYBGYXHZNU-PBHICJAKSA-N -1 0 384.429 0.894 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCO[C@@H]2C)cc1)C(=O)[O-] ZINC001592854927 979658625 /nfs/dbraw/zinc/65/86/25/979658625.db2.gz XQZMIIHGFBLPAT-XJKCOSOUSA-N -1 0 378.425 0.887 20 0 GCADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000863410998 979661733 /nfs/dbraw/zinc/66/17/33/979661733.db2.gz QXDKCXYOUYEUJE-UHFFFAOYSA-N -1 0 396.347 0.823 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1)C(=O)[O-] ZINC001592858496 979672717 /nfs/dbraw/zinc/67/27/17/979672717.db2.gz IJPBOVBMIHOSGT-LLVKDONJSA-N -1 0 380.426 0.823 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1)C(=O)[O-] ZINC001592858655 979674737 /nfs/dbraw/zinc/67/47/37/979674737.db2.gz SHNJGYMIWKQLGW-KBPBESRZSA-N -1 0 377.441 0.725 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001595171117 979735904 /nfs/dbraw/zinc/73/59/04/979735904.db2.gz AYXDHOGYBLGLGD-NSHDSACASA-N -1 0 384.458 0.784 20 0 GCADRM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001595173758 979750349 /nfs/dbraw/zinc/75/03/49/979750349.db2.gz CFTJYBZJVGJHPV-JTQLQIEISA-N -1 0 385.367 0.517 20 0 GCADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)C1 ZINC000864168961 979794942 /nfs/dbraw/zinc/79/49/42/979794942.db2.gz DBWHMPACMVEMSF-INIZCTEOSA-N -1 0 388.417 0.828 20 0 GCADRM CC[C@@](COC)(NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC001595187689 979847133 /nfs/dbraw/zinc/84/71/33/979847133.db2.gz FZKSZYYGEUPEOW-OALUTQOASA-N -1 0 391.424 0.758 20 0 GCADRM CC[C@](COC)(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)C(=O)[O-] ZINC001595192969 979881382 /nfs/dbraw/zinc/88/13/82/979881382.db2.gz CCOVYGKQKGKLLK-OAHLLOKOSA-N -1 0 376.431 0.966 20 0 GCADRM CC[C@@](COC)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)[O-] ZINC001595192980 979882313 /nfs/dbraw/zinc/88/23/13/979882313.db2.gz CLLGXQKOUSWNTC-HNNXBMFYSA-N -1 0 376.406 0.686 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000864212290 979897518 /nfs/dbraw/zinc/89/75/18/979897518.db2.gz CSYLZCQFMVMASU-BWACUDIHSA-N -1 0 390.392 0.417 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000864214082 979901538 /nfs/dbraw/zinc/90/15/38/979901538.db2.gz ZYVBSUXFIIKTQD-XJKCOSOUSA-N -1 0 390.392 0.626 20 0 GCADRM CC[C@](COC)(NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C(=O)OC ZINC001595194802 979904808 /nfs/dbraw/zinc/90/48/08/979904808.db2.gz LBIXGRUZNVYPRD-DNVCBOLYSA-N -1 0 378.425 0.582 20 0 GCADRM CC[C@](COC)(NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001595194983 979908183 /nfs/dbraw/zinc/90/81/83/979908183.db2.gz VYNQGIBYWMCXGQ-MRXNPFEDSA-N -1 0 388.442 0.555 20 0 GCADRM CC[C@@](COC)(NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC001595195685 979916550 /nfs/dbraw/zinc/91/65/50/979916550.db2.gz VXFSGZDVLUZBTD-YWZLYKJASA-N -1 0 397.516 0.953 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592923333 979922261 /nfs/dbraw/zinc/92/22/61/979922261.db2.gz LOZJNMAHTPRHKE-QGZVFWFLSA-N -1 0 394.453 0.036 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])C(=O)OC ZINC001595198149 979922794 /nfs/dbraw/zinc/92/27/94/979922794.db2.gz BEAISYIQFDZDKJ-HNNXBMFYSA-N -1 0 375.399 0.640 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)[O-] ZINC001595198661 979928935 /nfs/dbraw/zinc/92/89/35/979928935.db2.gz KOXHZRQVQIXFMR-CQSZACIVSA-N -1 0 379.456 0.638 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C(=O)[O-] ZINC001592924240 979931097 /nfs/dbraw/zinc/93/10/97/979931097.db2.gz HSZAYYSJAMBYEL-GOSISDBHSA-N -1 0 385.380 0.314 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)[O-] ZINC001595199168 979935585 /nfs/dbraw/zinc/93/55/85/979935585.db2.gz UXQFOQPGQBIFKB-OAHLLOKOSA-N -1 0 390.483 0.811 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)C[C@H]1CC[C@H](C(F)(F)F)O1)C(=O)[O-] ZINC001592925796 979943361 /nfs/dbraw/zinc/94/33/61/979943361.db2.gz HMCJRLUPQRDQMB-CKYFFXLPSA-N -1 0 385.364 0.756 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(N)=O ZINC001592926655 979950393 /nfs/dbraw/zinc/95/03/93/979950393.db2.gz USQDJLWQTAUINL-CQSZACIVSA-N -1 0 388.352 0.082 20 0 GCADRM COc1ccc([C@H]2CN(C(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CCO2)cc1 ZINC000868344035 979951670 /nfs/dbraw/zinc/95/16/70/979951670.db2.gz TUAHXKZBMXQEBL-DNVCBOLYSA-N -1 0 376.409 0.918 20 0 GCADRM C[C@H](Cn1ncc2ccccc21)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001592929147 979954400 /nfs/dbraw/zinc/95/44/00/979954400.db2.gz CVKVFKPHYFXSHH-OCCSQVGLSA-N -1 0 379.438 0.773 20 0 GCADRM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001595203325 979963515 /nfs/dbraw/zinc/96/35/15/979963515.db2.gz QFRZJNNHZHQKIE-CYBMUJFWSA-N -1 0 392.433 0.915 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001592930983 979977555 /nfs/dbraw/zinc/97/75/55/979977555.db2.gz POQXOWWQMKBXGI-ADLMAVQZSA-N -1 0 384.396 0.556 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC001592931500 979983144 /nfs/dbraw/zinc/98/31/44/979983144.db2.gz NAIBJGZAMUTLAB-INIZCTEOSA-N -1 0 380.426 0.031 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)CN1CCCS1(=O)=O)C(=O)[O-] ZINC001592931502 979983251 /nfs/dbraw/zinc/98/32/51/979983251.db2.gz NAIBJGZAMUTLAB-MRXNPFEDSA-N -1 0 380.426 0.031 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)CNC(=O)c1ccncc1)C(=O)[O-] ZINC001592931477 979983269 /nfs/dbraw/zinc/98/32/69/979983269.db2.gz MSINYFPXDCSTCH-IBGZPJMESA-N -1 0 381.392 0.821 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)CN1CCCCS1(=O)=O)C(=O)[O-] ZINC001592931674 979985752 /nfs/dbraw/zinc/98/57/52/979985752.db2.gz PMNBQTWESVNLFX-QGZVFWFLSA-N -1 0 394.453 0.421 20 0 GCADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000871952902 980008956 /nfs/dbraw/zinc/00/89/56/980008956.db2.gz UJPHNKQIBLCXRR-OAHLLOKOSA-N -1 0 385.373 0.195 20 0 GCADRM CC[C@@H](Cc1cn(CC(=O)N2CCN(Cc3ccco3)CC2)nn1)C(=O)[O-] ZINC001595220528 980050184 /nfs/dbraw/zinc/05/01/84/980050184.db2.gz YSRYGJORFBVJKG-AWEZNQCLSA-N -1 0 375.429 0.869 20 0 GCADRM CC[C@H](Cc1cn(CC(=O)N2CCN(Cc3ccco3)CC2)nn1)C(=O)[O-] ZINC001595220529 980050221 /nfs/dbraw/zinc/05/02/21/980050221.db2.gz YSRYGJORFBVJKG-CQSZACIVSA-N -1 0 375.429 0.869 20 0 GCADRM C[C@@H](N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1)C(F)(F)F ZINC001592967561 980091786 /nfs/dbraw/zinc/09/17/86/980091786.db2.gz CQTJKJZCELYHBI-IJLUTSLNSA-N -1 0 379.379 0.651 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595230334 980098005 /nfs/dbraw/zinc/09/80/05/980098005.db2.gz MSMSXPGHFIPAKC-JTQLQIEISA-N -1 0 383.426 0.447 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOC2=O)cc1 ZINC001592969958 980103483 /nfs/dbraw/zinc/10/34/83/980103483.db2.gz AJVIHRKFKBPXOS-WCQYABFASA-N -1 0 375.381 0.754 20 0 GCADRM CC[C@H](NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCCCO1 ZINC001595231597 980104881 /nfs/dbraw/zinc/10/48/81/980104881.db2.gz WSUWGMBCCAUBRK-MBNYWOFBSA-N -1 0 379.417 0.214 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1C1OCCO1)c1ncc(C(=O)[O-])s1 ZINC001592970506 980117983 /nfs/dbraw/zinc/11/79/83/980117983.db2.gz HLHDSNMPMKGNNO-ZJUUUORDSA-N -1 0 383.426 0.773 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1nncn1C)c1ncc(C(=O)[O-])s1 ZINC001592970776 980123312 /nfs/dbraw/zinc/12/33/12/980123312.db2.gz KMEUKSFVFYWSHW-BDAKNGLRSA-N -1 0 378.414 0.511 20 0 GCADRM CC[C@@H](NC(=O)[C@H]1CC(=O)C[C@@H](C)[C@H]1C(=O)N[C@@H](CC)C(=O)[O-])C(=O)OC ZINC001595236497 980135673 /nfs/dbraw/zinc/13/56/73/980135673.db2.gz FYDJSHBQTSAUIM-FYGCWZCISA-N -1 0 384.429 0.265 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)c1cnn(C)c1 ZINC001592978501 980141002 /nfs/dbraw/zinc/14/10/02/980141002.db2.gz DGSBPBOOLISEKQ-KKZNHRDASA-N -1 0 376.335 0.709 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)c1ccc[nH]1 ZINC001592980095 980149127 /nfs/dbraw/zinc/14/91/27/980149127.db2.gz TXTVKRXXCXXPBN-SECBINFHSA-N -1 0 379.394 0.932 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC001592980103 980149255 /nfs/dbraw/zinc/14/92/55/980149255.db2.gz TYIGDWHCOQXHKJ-VHSXEESVSA-N -1 0 384.410 0.268 20 0 GCADRM C[C@H]([C@H](C)NC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)N1CCOCC1 ZINC001592980332 980150277 /nfs/dbraw/zinc/15/02/77/980150277.db2.gz UVKQBKURSSHHMD-UONOGXRCSA-N -1 0 377.441 0.269 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)[O-])s1)C(=O)N1CCCC[C@@H]1C ZINC001592980577 980151122 /nfs/dbraw/zinc/15/11/22/980151122.db2.gz XEKKZGNFWRLCGY-WDEREUQCSA-N -1 0 381.454 0.968 20 0 GCADRM C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)N1CCOCC1 ZINC001592986950 980164610 /nfs/dbraw/zinc/16/46/10/980164610.db2.gz JDJKEKXRHRDWTM-VHSXEESVSA-N -1 0 385.367 0.827 20 0 GCADRM CC[C@@H](NC(=O)N1CCC([C@H](O)C(=O)[O-])CC1)c1cccc(S(N)(=O)=O)c1 ZINC001595246606 980184509 /nfs/dbraw/zinc/18/45/09/980184509.db2.gz BKOAQVIVDRJPSV-CABCVRRESA-N -1 0 399.469 0.652 20 0 GCADRM CC[C@@H](NC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)c1cccc(S(N)(=O)=O)c1 ZINC001595246608 980184574 /nfs/dbraw/zinc/18/45/74/980184574.db2.gz BKOAQVIVDRJPSV-HUUCEWRRSA-N -1 0 399.469 0.652 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccnc(OCCO)c1)c1ncc(C(=O)[O-])s1 ZINC001592991421 980190110 /nfs/dbraw/zinc/19/01/10/980190110.db2.gz RUJTUQKJMHZSMR-MRVPVSSYSA-N -1 0 380.382 0.423 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1nnnn1C ZINC001592991411 980190118 /nfs/dbraw/zinc/19/01/18/980190118.db2.gz ROLYTCCJNQOPGA-SECBINFHSA-N -1 0 378.414 0.344 20 0 GCADRM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593002233 980214758 /nfs/dbraw/zinc/21/47/58/980214758.db2.gz CTFLBKQVPKRXPH-SVGFKBNWSA-N -1 0 384.436 0.864 20 0 GCADRM C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007472 980227776 /nfs/dbraw/zinc/22/77/76/980227776.db2.gz WGTBPVMIJLMIJG-CFVMTHIKSA-N -1 0 383.470 0.350 20 0 GCADRM C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007474 980228479 /nfs/dbraw/zinc/22/84/79/980228479.db2.gz WGTBPVMIJLMIJG-QEJZJMRPSA-N -1 0 383.470 0.350 20 0 GCADRM C[C@@](NC(=O)C1CS(=O)(=O)C1)(C(=O)[O-])c1cccc(Br)c1 ZINC001593008882 980232995 /nfs/dbraw/zinc/23/29/95/980232995.db2.gz KMGVEIIHHLWKCJ-ZDUSSCGKSA-N -1 0 376.228 0.910 20 0 GCADRM C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001593014314 980253534 /nfs/dbraw/zinc/25/35/34/980253534.db2.gz GQWWCDNYENFNGJ-BTJLNZGRSA-N -1 0 388.486 0.466 20 0 GCADRM C[C@H](NC(=O)CNC(=O)CN[C@H](C[C@@H]1CCCO1)C(=O)[O-])c1ccc(F)cc1 ZINC001593028871 980297545 /nfs/dbraw/zinc/29/75/45/980297545.db2.gz ROZCYDPUWGRCEK-VBNZEHGJSA-N -1 0 395.431 0.731 20 0 GCADRM 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396.396 0.865 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)ccc1F ZINC001598673812 994805785 /nfs/dbraw/zinc/80/57/85/994805785.db2.gz CRJGKIFSRIGJQM-AWEZNQCLSA-N -1 0 375.378 0.489 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])cc1 ZINC001598673972 994809068 /nfs/dbraw/zinc/80/90/68/994809068.db2.gz LEOMSUMTAVTXPL-GXTWGEPZSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001598674082 994810540 /nfs/dbraw/zinc/81/05/40/994810540.db2.gz OMHINJKYHHWBJJ-AWEZNQCLSA-N -1 0 383.470 0.937 20 0 GCADRM CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC001598674315 994814302 /nfs/dbraw/zinc/81/43/02/994814302.db2.gz AIBXWHAIKNZSEP-LLVKDONJSA-N -1 0 391.243 0.950 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2O)C(=O)[O-])cn1 ZINC001598674405 994815938 /nfs/dbraw/zinc/81/59/38/994815938.db2.gz HQLQEPHJUXMALW-GFCCVEGCSA-N -1 0 379.394 0.121 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)ccc1F ZINC001598674779 994823772 /nfs/dbraw/zinc/82/37/72/994823772.db2.gz WYELNCNEDRHINA-ONGXEEELSA-N -1 0 389.405 0.593 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cn1 ZINC001598674959 994826154 /nfs/dbraw/zinc/82/61/54/994826154.db2.gz UMVBRVVBWQNVFN-UHFFFAOYSA-N -1 0 375.406 0.886 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCC(C(=O)OC)CC2)cc1 ZINC001598675020 994827357 /nfs/dbraw/zinc/82/73/57/994827357.db2.gz XSXXCRRTBARKJW-UHFFFAOYSA-N -1 0 398.437 0.511 20 0 GCADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001598675262 994830937 /nfs/dbraw/zinc/83/09/37/994830937.db2.gz MUCIAWAOQWJUBR-DTWKUNHWSA-N -1 0 376.818 0.156 20 0 GCADRM COc1cccc(CN(C)C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)c1OC ZINC001599672274 994835092 /nfs/dbraw/zinc/83/50/92/994835092.db2.gz DCKVJSMNROIMTR-QGZVFWFLSA-N -1 0 380.441 0.820 20 0 GCADRM CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001598675497 994836064 /nfs/dbraw/zinc/83/60/64/994836064.db2.gz ZQCVFNHFAQVMDG-BETUJISGSA-N -1 0 381.454 0.354 20 0 GCADRM CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001598675743 994839213 /nfs/dbraw/zinc/83/92/13/994839213.db2.gz IJRPVZCHTSZQKQ-UHFFFAOYSA-N -1 0 385.423 0.166 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001598675942 994843336 /nfs/dbraw/zinc/84/33/36/994843336.db2.gz PXPCUAWDVPESIP-SNVBAGLBSA-N -1 0 376.456 0.611 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001598675974 994845048 /nfs/dbraw/zinc/84/50/48/994845048.db2.gz RUHBSWVGUXHCPU-HZMBPMFUSA-N -1 0 376.456 0.326 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001598676136 994847773 /nfs/dbraw/zinc/84/77/73/994847773.db2.gz YDBKKENBJLMYOB-SDDRHHMPSA-N -1 0 397.453 0.539 20 0 GCADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC001598676467 994853622 /nfs/dbraw/zinc/85/36/22/994853622.db2.gz IJMMJUOOHLFBEU-MEDUHNTESA-N -1 0 385.442 0.541 20 0 GCADRM CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)C2(C(=O)[O-])CCC2)c1 ZINC001598676491 994853788 /nfs/dbraw/zinc/85/37/88/994853788.db2.gz JGRCABNTTNHHSN-SNVBAGLBSA-N -1 0 376.456 0.582 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)[O-])c1 ZINC001598676753 994857909 /nfs/dbraw/zinc/85/79/09/994857909.db2.gz MKEPCAUSUQATIE-DGCLKSJQSA-N -1 0 384.410 0.073 20 0 GCADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])nn2C)c1 ZINC001598676777 994858042 /nfs/dbraw/zinc/85/80/42/994858042.db2.gz NMQDPMIBUZVUMD-SECBINFHSA-N -1 0 381.414 0.909 20 0 GCADRM COc1cccc(CN(C)C(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599673966 994863773 /nfs/dbraw/zinc/86/37/73/994863773.db2.gz MGFJVGVXXPNRCJ-AWEZNQCLSA-N -1 0 377.441 0.661 20 0 GCADRM COc1cccc(CN2CCN(C(=O)Cn3cccc(C(=O)[O-])c3=O)CC2)c1 ZINC001599674040 994865019 /nfs/dbraw/zinc/86/50/19/994865019.db2.gz XZOVBWYTSBHRAQ-UHFFFAOYSA-N -1 0 385.420 0.900 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1 ZINC001598677475 994870199 /nfs/dbraw/zinc/87/01/99/994870199.db2.gz WMCORCVPURZAIY-DGCLKSJQSA-N -1 0 384.410 0.073 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598677641 994872497 /nfs/dbraw/zinc/87/24/97/994872497.db2.gz VHLQDZOOTJQKMG-MNOVXSKESA-N -1 0 376.456 0.516 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ccc(N2CCNC2=O)cc1 ZINC001593330100 994890760 /nfs/dbraw/zinc/89/07/60/994890760.db2.gz CZQRLFCWWMERTH-SECBINFHSA-N -1 0 379.398 0.677 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ccc(N2CCNC2=O)cc1 ZINC001593330101 994890962 /nfs/dbraw/zinc/89/09/62/994890962.db2.gz CZQRLFCWWMERTH-VIFPVBQESA-N -1 0 379.398 0.677 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593330787 994896978 /nfs/dbraw/zinc/89/69/78/994896978.db2.gz OHKQLHPQEARQPY-RISCZKNCSA-N -1 0 379.438 0.734 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)N1c2ccccc2C[C@H]1C ZINC001593331266 994900845 /nfs/dbraw/zinc/90/08/45/994900845.db2.gz WBCAQKVERQJSOK-ZJUUUORDSA-N -1 0 378.410 0.753 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593331265 994901464 /nfs/dbraw/zinc/90/14/64/994901464.db2.gz WBCAQKVERQJSOK-VHSXEESVSA-N -1 0 378.410 0.753 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncc(Br)cn1 ZINC001593331409 994902681 /nfs/dbraw/zinc/90/26/81/994902681.db2.gz XJGTTYWEWIJIIA-YFKPBYRVSA-N -1 0 377.176 0.965 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ncc(Br)cn1 ZINC001593331408 994902762 /nfs/dbraw/zinc/90/27/62/994902762.db2.gz XJGTTYWEWIJIIA-RXMQYKEDSA-N -1 0 377.176 0.965 20 0 GCADRM COc1cccc(Cl)c1CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001599676592 994908346 /nfs/dbraw/zinc/90/83/46/994908346.db2.gz MNRQJMNSOYQBHF-JTQLQIEISA-N -1 0 375.830 0.991 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001593336709 994916507 /nfs/dbraw/zinc/91/65/07/994916507.db2.gz BHJLJFJKBDQKGL-SNVBAGLBSA-N -1 0 385.442 0.164 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1nnc2c(=O)[nH]ccn21 ZINC001593337406 994921284 /nfs/dbraw/zinc/92/12/84/994921284.db2.gz LCNLVONVTFREDS-QBBOHKLWSA-N -1 0 389.393 0.555 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC001593339428 994934500 /nfs/dbraw/zinc/93/45/00/994934500.db2.gz NUDLRNZPUGSBGN-CJNGLKHVSA-N -1 0 385.486 0.453 20 0 GCADRM COc1cccc(NC(=O)CN(C)C(=O)CN2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001599678789 994943020 /nfs/dbraw/zinc/94/30/20/994943020.db2.gz MLPRIUTTZOVSMN-AWEZNQCLSA-N -1 0 379.413 0.268 20 0 GCADRM CNc1ncnc2cc(C(=O)N3CCS(=O)(=O)C[C@H]3CC(=O)[O-])ccc21 ZINC001598682407 994950212 /nfs/dbraw/zinc/95/02/12/994950212.db2.gz IOQLWBRONIQEPY-LLVKDONJSA-N -1 0 378.410 0.385 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593347290 994953143 /nfs/dbraw/zinc/95/31/43/994953143.db2.gz DMGOSFRXPBKBDF-SJKOYZFVSA-N -1 0 395.437 0.673 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCc1ccccc1C(=O)[O-] ZINC001593347382 994954900 /nfs/dbraw/zinc/95/49/00/994954900.db2.gz ISJYARNBDAKVLF-LLVKDONJSA-N -1 0 381.410 0.571 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001593347767 994960301 /nfs/dbraw/zinc/96/03/01/994960301.db2.gz SSKJEWHPLUACRJ-HWWQOWPSSA-N -1 0 384.458 0.190 20 0 GCADRM C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C(=O)[O-])C2)n1CC1CC1 ZINC001593352666 994968313 /nfs/dbraw/zinc/96/83/13/994968313.db2.gz DSSIAORPOXJXSV-XPTSAGLGSA-N -1 0 375.426 0.301 20 0 GCADRM C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCC1CC1 ZINC001593353003 994972063 /nfs/dbraw/zinc/97/20/63/994972063.db2.gz JZVKVQVZEDMETK-NSHDSACASA-N -1 0 385.490 0.989 20 0 GCADRM COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599681789 994994308 /nfs/dbraw/zinc/99/43/08/994994308.db2.gz FPNZGLMXYFCQQI-OLZOCXBDSA-N -1 0 382.413 0.109 20 0 GCADRM COc1cccc(OCc2nnc(S[C@H](C)C(=O)NCC(=O)[O-])n2N)c1 ZINC001599681903 994995983 /nfs/dbraw/zinc/99/59/83/994995983.db2.gz KJIZCJWCGYNZTE-SECBINFHSA-N -1 0 381.414 0.261 20 0 GCADRM COc1cccc(OCCN2CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1 ZINC001599682496 995005498 /nfs/dbraw/zinc/00/54/98/995005498.db2.gz RDSZPFKSWOMRNC-GOSISDBHSA-N -1 0 391.468 0.767 20 0 GCADRM COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001598690367 995056251 /nfs/dbraw/zinc/05/62/51/995056251.db2.gz GVHVGLFCLJOYET-VIFPVBQESA-N -1 0 392.343 0.650 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC001598691920 995079561 /nfs/dbraw/zinc/07/95/61/995079561.db2.gz BKVVDZZOISTLKQ-VIFPVBQESA-N -1 0 381.366 0.663 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001598692520 995086248 /nfs/dbraw/zinc/08/62/48/995086248.db2.gz LNRGPQWAHXENTA-ZDUSSCGKSA-N -1 0 384.410 0.217 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC001598692551 995087550 /nfs/dbraw/zinc/08/75/50/995087550.db2.gz CXQGOONCTZXFBW-TZMCWYRMSA-N -1 0 380.353 0.329 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001598692847 995091071 /nfs/dbraw/zinc/09/10/71/995091071.db2.gz ONVCLPUPIUHYHC-GFCCVEGCSA-N -1 0 386.426 0.510 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC001598692849 995091533 /nfs/dbraw/zinc/09/15/33/995091533.db2.gz ONVCLPUPIUHYHC-LBPRGKRZSA-N -1 0 386.426 0.510 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001598692942 995092433 /nfs/dbraw/zinc/09/24/33/995092433.db2.gz KCWYXAIZCXYWLR-KWQFWETISA-N -1 0 392.817 0.139 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593390748 995123578 /nfs/dbraw/zinc/12/35/78/995123578.db2.gz ODZBSILXNNFDOU-SJCJKPOMSA-N -1 0 381.429 0.219 20 0 GCADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001593390696 995123888 /nfs/dbraw/zinc/12/38/88/995123888.db2.gz NHHQLSMPLFWBRG-DLBZAZTESA-N -1 0 381.429 0.362 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccnn1CCc1ccccc1 ZINC001598695198 995126114 /nfs/dbraw/zinc/12/61/14/995126114.db2.gz PZJQVSFIVHEPMP-CYBMUJFWSA-N -1 0 381.410 0.420 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001593391858 995132958 /nfs/dbraw/zinc/13/29/58/995132958.db2.gz ZYMXOPPSVQZNQR-ACJLOTCBSA-N -1 0 395.456 0.705 20 0 GCADRM COC(=O)[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001598696013 995138098 /nfs/dbraw/zinc/13/80/98/995138098.db2.gz CJGWYGRCCNGOBV-ZYHUDNBSSA-N -1 0 375.374 0.913 20 0 GCADRM COC(=O)[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001598696278 995143000 /nfs/dbraw/zinc/14/30/00/995143000.db2.gz IAXXOTGCBGDBQN-IUCAKERBSA-N -1 0 378.428 0.478 20 0 GCADRM COC(=O)[C@H](CC1CCOCC1)NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001598696290 995143014 /nfs/dbraw/zinc/14/30/14/995143014.db2.gz IDNIRDFKTLFFET-NSHDSACASA-N -1 0 375.399 0.923 20 0 GCADRM COC(=O)[C@H](CC1OCCO1)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001598696463 995146613 /nfs/dbraw/zinc/14/66/13/995146613.db2.gz JJXLPPDQEMJIMO-JTQLQIEISA-N -1 0 393.801 0.621 20 0 GCADRM COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598696506 995146721 /nfs/dbraw/zinc/14/67/21/995146721.db2.gz DKEVZGVURBNUSI-OLZOCXBDSA-N -1 0 381.433 0.317 20 0 GCADRM CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cn1 ZINC001593399253 995153224 /nfs/dbraw/zinc/15/32/24/995153224.db2.gz OMEGHKSTMXVWGC-MRXNPFEDSA-N -1 0 380.426 0.727 20 0 GCADRM COC(=O)[C@@H](CC1OCCO1)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598697427 995162771 /nfs/dbraw/zinc/16/27/71/995162771.db2.gz OBMUXZMDOPLJQF-SNVBAGLBSA-N -1 0 393.801 0.621 20 0 GCADRM COC(=O)[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001598697467 995164211 /nfs/dbraw/zinc/16/42/11/995164211.db2.gz OHSZCLBMNPHADX-SMDDNHRTSA-N -1 0 386.426 0.725 20 0 GCADRM COC(=O)[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001598698029 995173591 /nfs/dbraw/zinc/17/35/91/995173591.db2.gz 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COC(=O)[C@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)[C@@H](C(=O)[O-])C1 ZINC001598798039 996120774 /nfs/dbraw/zinc/12/07/74/996120774.db2.gz ZUMVPZHJIJSWFM-DLBZAZTESA-N -1 0 390.436 0.997 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001598798532 996123726 /nfs/dbraw/zinc/12/37/26/996123726.db2.gz JEUUPKXXXZFNDD-HUUCEWRRSA-N -1 0 385.438 0.871 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCOCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC001598798530 996123848 /nfs/dbraw/zinc/12/38/48/996123848.db2.gz JEUUPKXXXZFNDD-CABCVRRESA-N -1 0 385.438 0.871 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)[C@H]([C@@H]2CCCO2)C1 ZINC001598798494 996123934 /nfs/dbraw/zinc/12/39/34/996123934.db2.gz IFILMOFVFVWSNN-USWWRNFRSA-N -1 0 387.414 0.229 20 0 GCADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593687860 996128034 /nfs/dbraw/zinc/12/80/34/996128034.db2.gz UJWDPYCWLMMOQU-JTQLQIEISA-N -1 0 385.367 0.581 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)[C@H](C(=O)[O-])C1 ZINC001598800350 996134811 /nfs/dbraw/zinc/13/48/11/996134811.db2.gz TZRWHSJJRVHCEJ-UPJWGTAASA-N -1 0 399.421 0.494 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCCC2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC001598800634 996136401 /nfs/dbraw/zinc/13/64/01/996136401.db2.gz VOYQUIMXUPEORJ-ZIAGYGMSSA-N -1 0 377.459 0.861 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001598801181 996139752 /nfs/dbraw/zinc/13/97/52/996139752.db2.gz YDBSHCZDEUMVFC-WCQYABFASA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@@H](C(=O)[O-])C1 ZINC001598801500 996141974 /nfs/dbraw/zinc/14/19/74/996141974.db2.gz ZEAUGQQQHXOBDG-WDEREUQCSA-N -1 0 376.818 0.903 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@H](C(=O)[O-])C1 ZINC001598801497 996142024 /nfs/dbraw/zinc/14/20/24/996142024.db2.gz ZEAUGQQQHXOBDG-QWRGUYRKSA-N -1 0 376.818 0.903 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c2ccccc2O1 ZINC001598801931 996145426 /nfs/dbraw/zinc/14/54/26/996145426.db2.gz ACHNPDHFPXQWAE-WDMOLILDSA-N -1 0 376.365 0.275 20 0 GCADRM COC(=O)[C@@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801866 996145445 /nfs/dbraw/zinc/14/54/45/996145445.db2.gz VMSXHGIOSPEFJM-IUODEOHRSA-N -1 0 385.438 0.807 20 0 GCADRM COC(=O)[C@H]1CCN2C(=O)N(CCOc3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC001598802587 996152657 /nfs/dbraw/zinc/15/26/57/996152657.db2.gz FMVDPXPFNNWLNY-JSGCOSHPSA-N -1 0 376.365 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2Cc3cc(F)c(F)cc3C2)C[C@H]1C(=O)[O-] ZINC001598802830 996155313 /nfs/dbraw/zinc/15/53/13/996155313.db2.gz GJAYDYNBZOSKNP-GHMZBOCLSA-N -1 0 382.319 0.139 20 0 GCADRM COC(=O)[C@@H]1CCc2sc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)nc2C1 ZINC001598804180 996168763 /nfs/dbraw/zinc/16/87/63/996168763.db2.gz SSSDZSQNYRYTEO-NXEZZACHSA-N -1 0 395.437 0.683 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCSC[C@H]2C2CC2)C[C@@H]1C(=O)[O-] ZINC001598804356 996170279 /nfs/dbraw/zinc/17/02/79/996170279.db2.gz UQGRWJNLRLPUAN-XQQFMLRXSA-N -1 0 384.454 0.063 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593699637 996170890 /nfs/dbraw/zinc/17/08/90/996170890.db2.gz PXKNZGUVPJRBPN-JTQLQIEISA-N -1 0 399.450 0.809 20 0 GCADRM C[C@H](c1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001593702709 996175564 /nfs/dbraw/zinc/17/55/64/996175564.db2.gz AJWQVVKCVUHJBC-ZWNOBZJWSA-N -1 0 383.426 0.783 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598804968 996176967 /nfs/dbraw/zinc/17/69/67/996176967.db2.gz CBPDAPCSMSVWNH-ZIAGYGMSSA-N -1 0 384.429 0.823 20 0 GCADRM C[C@H](c1cccc(O)c1)N(C)C(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001593702969 996178283 /nfs/dbraw/zinc/17/82/83/996178283.db2.gz IHIPARIZEFBRFT-SPKLELGKSA-N -1 0 376.409 0.861 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593703021 996178529 /nfs/dbraw/zinc/17/85/29/996178529.db2.gz JRJPELZVZRWKGF-SECBINFHSA-N -1 0 381.414 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(OC)cc(OC)cc2OC)C[C@H]1C(=O)[O-] ZINC001598805801 996185424 /nfs/dbraw/zinc/18/54/24/996185424.db2.gz ASBAPMPQMCHADZ-CHWSQXEVSA-N -1 0 396.396 0.728 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(OC)cc(OC)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598805806 996185554 /nfs/dbraw/zinc/18/55/54/996185554.db2.gz ASBAPMPQMCHADZ-QWHCGFSZSA-N -1 0 396.396 0.728 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC001598805949 996186819 /nfs/dbraw/zinc/18/68/19/996186819.db2.gz GBMXGYCRTYACOB-VHDGCEQUSA-N -1 0 395.456 0.683 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1C(=O)[O-] ZINC001598806217 996189674 /nfs/dbraw/zinc/18/96/74/996189674.db2.gz FUBGIDANWYNSLC-KBPBESRZSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCn2nc(C(F)(F)F)cc2C)C[C@H]1C(=O)[O-] ZINC001598806836 996195364 /nfs/dbraw/zinc/19/53/64/996195364.db2.gz GEITVESUGKANFK-NXEZZACHSA-N -1 0 392.334 0.726 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C[C@H]1C(=O)[O-] ZINC001598807186 996198480 /nfs/dbraw/zinc/19/84/80/996198480.db2.gz JMGCEBOYBLNRTH-UPJWGTAASA-N -1 0 375.381 0.089 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598807228 996198689 /nfs/dbraw/zinc/19/86/89/996198689.db2.gz HVRYZVGWTCURQX-MNOVXSKESA-N -1 0 385.417 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)C[C@@H]1C(=O)[O-] ZINC001598807484 996200738 /nfs/dbraw/zinc/20/07/38/996200738.db2.gz JZZJLUJSSISDQH-XQQFMLRXSA-N -1 0 377.397 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598807807 996203187 /nfs/dbraw/zinc/20/31/87/996203187.db2.gz NJBHYTVSRMRSEX-AEJSXWLSSA-N -1 0 394.371 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C[C@H]1C(=O)[O-] ZINC001598807848 996203906 /nfs/dbraw/zinc/20/39/06/996203906.db2.gz NPAOXZFCSNLJIY-BRWVUGGUSA-N -1 0 389.452 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)C[C@H]1C(=O)[O-] ZINC001598807821 996204032 /nfs/dbraw/zinc/20/40/32/996204032.db2.gz LHDWSXVFSRFADJ-XLWJZTARSA-N -1 0 381.429 0.149 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598807922 996204575 /nfs/dbraw/zinc/20/45/75/996204575.db2.gz LSVCVGNLVCUJRJ-ZLKJLUDKSA-N -1 0 389.408 0.782 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@@H]1C(=O)[O-] ZINC001598808406 996208761 /nfs/dbraw/zinc/20/87/61/996208761.db2.gz NMOQMTJAPJLJJL-STQMWFEESA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC001598808399 996208948 /nfs/dbraw/zinc/20/89/48/996208948.db2.gz NMOQMTJAPJLJJL-CHWSQXEVSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(CNC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598808496 996209513 /nfs/dbraw/zinc/20/95/13/996209513.db2.gz MNWMOYUGXIRPDU-GJZGRUSLSA-N -1 0 377.397 0.338 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808634 996210404 /nfs/dbraw/zinc/21/04/04/996210404.db2.gz FQNKNXVFOHLTLT-ZIAGYGMSSA-N -1 0 383.422 0.491 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)C[C@@H]1C(=O)[O-] ZINC001598808685 996211050 /nfs/dbraw/zinc/21/10/50/996211050.db2.gz NVUMSBCQQMEQAV-HOTGVXAUSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COc3cc(OC)ccc3C2)C[C@@H]1C(=O)[O-] ZINC001598808657 996211189 /nfs/dbraw/zinc/21/11/89/996211189.db2.gz ODGSXRYTWUYLLU-FPMFFAJLSA-N -1 0 378.381 0.514 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)C[C@H]1C(=O)[O-] ZINC001598808689 996211199 /nfs/dbraw/zinc/21/11/99/996211199.db2.gz NVUMSBCQQMEQAV-HZPDHXFCSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808799 996212546 /nfs/dbraw/zinc/21/25/46/996212546.db2.gz FZINHBUMJYSJLF-ZIAGYGMSSA-N -1 0 377.397 0.126 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@@H]1C(=O)[O-] ZINC001598808958 996213634 /nfs/dbraw/zinc/21/36/34/996213634.db2.gz GKRKKZWIEQHXOL-RRFJBIMHSA-N -1 0 390.392 0.902 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c2ccccc2O1 ZINC001598808987 996213763 /nfs/dbraw/zinc/21/37/63/996213763.db2.gz GMTJFCFKZGFPIE-BXUZGUMPSA-N -1 0 376.365 0.277 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN(C)C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598809047 996214339 /nfs/dbraw/zinc/21/43/39/996214339.db2.gz GQIWCUNYFXLIJZ-KBPBESRZSA-N -1 0 378.381 0.587 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598809275 996216324 /nfs/dbraw/zinc/21/63/24/996216324.db2.gz HIGXUHQOJZOSDT-IRXDYDNUSA-N -1 0 398.415 0.831 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C(=O)[O-] ZINC001598809344 996216546 /nfs/dbraw/zinc/21/65/46/996216546.db2.gz PVZXXCDCQJWGBS-HBNTYKKESA-N -1 0 381.351 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598809495 996218613 /nfs/dbraw/zinc/21/86/13/996218613.db2.gz SFLXGIGHHOLPIQ-QWHCGFSZSA-N -1 0 399.440 0.847 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809525 996218634 /nfs/dbraw/zinc/21/86/34/996218634.db2.gz QSOREBMILCYMIT-KGLIPLIRSA-N -1 0 398.437 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C[C@@H]1C(=O)[O-] ZINC001598809632 996219169 /nfs/dbraw/zinc/21/91/69/996219169.db2.gz QUOITOMGNNJOEW-VHSXEESVSA-N -1 0 389.330 0.723 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C(F)(F)F)n(C)n2)C[C@H]1C(=O)[O-] ZINC001598809742 996220516 /nfs/dbraw/zinc/22/05/16/996220516.db2.gz RBQIMXDUHYGMEH-BDAKNGLRSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1C(=O)[O-] ZINC001598810028 996223128 /nfs/dbraw/zinc/22/31/28/996223128.db2.gz SRAODSNPYMSVGN-NXEZZACHSA-N -1 0 376.287 0.199 20 0 GCADRM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001593713707 996224102 /nfs/dbraw/zinc/22/41/02/996224102.db2.gz MYNCJXSPBCRDPB-SZVBFZGTSA-N -1 0 375.469 0.802 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598810162 996224470 /nfs/dbraw/zinc/22/44/70/996224470.db2.gz VFLLDESPHIIYDI-TUKIKUTGSA-N -1 0 392.383 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598810547 996228057 /nfs/dbraw/zinc/22/80/57/996228057.db2.gz WHNDJZZLFMCKKP-MVWJERBFSA-N -1 0 388.380 0.013 20 0 GCADRM C[C@H](c1ccccc1)N1CCN(C(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)CC1 ZINC001593714223 996228674 /nfs/dbraw/zinc/22/86/74/996228674.db2.gz UTRORDHHWYAECR-CYBMUJFWSA-N -1 0 385.424 0.962 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc3NC2=O)C[C@H]1C(=O)[O-] ZINC001598811167 996232819 /nfs/dbraw/zinc/23/28/19/996232819.db2.gz XFBKCKPMWMEQEV-YRGRVCCFSA-N -1 0 375.381 0.455 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccnc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598811257 996233802 /nfs/dbraw/zinc/23/38/02/996233802.db2.gz APNUMVINPJOZPP-NEPJUHHUSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)COc2cccc(N3CCCC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598811371 996234537 /nfs/dbraw/zinc/23/45/37/996234537.db2.gz NRESWMKATQIZIW-GJZGRUSLSA-N -1 0 390.392 0.524 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2ccccc2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598811495 996235378 /nfs/dbraw/zinc/23/53/78/996235378.db2.gz XAJCMSVCTYQMQB-OLZOCXBDSA-N -1 0 398.437 0.148 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598811945 996239331 /nfs/dbraw/zinc/23/93/31/996239331.db2.gz OQPHCAYFXMQFKH-STQMWFEESA-N -1 0 393.392 0.999 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598812416 996242819 /nfs/dbraw/zinc/24/28/19/996242819.db2.gz PIWDFQFYTAVFGE-KBPBESRZSA-N -1 0 383.422 0.355 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCO1 ZINC001598812964 996247415 /nfs/dbraw/zinc/24/74/15/996247415.db2.gz FJNJSQCYPLSAAK-CYBMUJFWSA-N -1 0 375.341 0.371 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccccc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598813328 996249535 /nfs/dbraw/zinc/24/95/35/996249535.db2.gz UOOAKVOCBRLRIT-HZPDHXFCSA-N -1 0 390.436 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)C[C@H]1C(=O)[O-] ZINC001598814148 996255247 /nfs/dbraw/zinc/25/52/47/996255247.db2.gz XPCWQKHXEFAFMN-QJPTWQEYSA-N -1 0 388.417 0.248 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)C[C@@H]1C(=O)[O-] ZINC001598814555 996259039 /nfs/dbraw/zinc/25/90/39/996259039.db2.gz IYGJKQUPUUANSS-LSDHHAIUSA-N -1 0 375.381 0.886 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)C[C@@H]1C(=O)[O-] ZINC001598814705 996260115 /nfs/dbraw/zinc/26/01/15/996260115.db2.gz CSTVNCCNVABCFV-NWDGAFQWSA-N -1 0 378.381 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(C)=O)C[C@H]1C(=O)[O-] ZINC001598814961 996262519 /nfs/dbraw/zinc/26/25/19/996262519.db2.gz NLOTZSGYNUEMLM-OLZOCXBDSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@H]1C(=O)[O-] ZINC001598815136 996263835 /nfs/dbraw/zinc/26/38/35/996263835.db2.gz KRBIDSHRJKBWNF-FHUSYTEZSA-N -1 0 397.428 0.367 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)C[C@H]1C(=O)[O-] ZINC001598815168 996264212 /nfs/dbraw/zinc/26/42/12/996264212.db2.gz KYQQKOUFIGOOPP-GHMZBOCLSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598816824 996279431 /nfs/dbraw/zinc/27/94/31/996279431.db2.gz SBPQKYHHZHPAKW-CHWSQXEVSA-N -1 0 393.396 0.910 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC001598817143 996282493 /nfs/dbraw/zinc/28/24/93/996282493.db2.gz VQDHLPOCSWKTIN-LLVKDONJSA-N -1 0 397.384 0.997 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C[C@H]1C(=O)[O-] ZINC001598817679 996288428 /nfs/dbraw/zinc/28/84/28/996288428.db2.gz WGSRVJYPBVWLQT-TUVASFSCSA-N -1 0 377.397 0.817 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598818650 996299937 /nfs/dbraw/zinc/29/99/37/996299937.db2.gz AAAKBGFRKCLMPJ-ZJUUUORDSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnccc2NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598820050 996315616 /nfs/dbraw/zinc/31/56/16/996315616.db2.gz FIBZGVIEZIENSB-RYUDHWBXSA-N -1 0 393.396 0.796 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598820376 996319077 /nfs/dbraw/zinc/31/90/77/996319077.db2.gz WRPIAYPDUUACIP-CABCVRRESA-N -1 0 390.392 0.105 20 0 GCADRM COC(=O)[C@@H]1CN([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C[C@H]1C(=O)[O-] ZINC001598820849 996324626 /nfs/dbraw/zinc/32/46/26/996324626.db2.gz VDTQVWIAMTYOAU-BREBYQMCSA-N -1 0 382.319 0.402 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598820854 996324811 /nfs/dbraw/zinc/32/48/11/996324811.db2.gz IOGOZDHOYAGYAX-KBPBESRZSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001598821236 996330092 /nfs/dbraw/zinc/33/00/92/996330092.db2.gz XIQQMCRNOCEIIS-LBPRGKRZSA-N -1 0 377.397 0.195 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598821479 996332860 /nfs/dbraw/zinc/33/28/60/996332860.db2.gz KAKYDFGNCRISQE-JGVFFNPUSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2coc3c2C(=O)NCC(C)(C)C3)C[C@H]1C(=O)[O-] ZINC001598821775 996335860 /nfs/dbraw/zinc/33/58/60/996335860.db2.gz LXXUFMAQDFJQKJ-ZJUUUORDSA-N -1 0 378.381 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)C(=O)c3c2c(F)ccc3Cl)C[C@@H]1C(=O)[O-] ZINC001598821719 996336160 /nfs/dbraw/zinc/33/61/60/996336160.db2.gz LXAIYBALNFVAMC-JGVFFNPUSA-N -1 0 384.747 0.772 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@H]1C(=O)[O-] ZINC001598822015 996338933 /nfs/dbraw/zinc/33/89/33/996338933.db2.gz NICGUNANOQSJHK-ZJUUUORDSA-N -1 0 391.348 0.629 20 0 GCADRM COC(=O)[C@H]1COCCN1S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001598823298 996354428 /nfs/dbraw/zinc/35/44/28/996354428.db2.gz BNLCCEUXWRTPIO-SSDOTTSWSA-N -1 0 383.831 0.971 20 0 GCADRM COC(=O)[C@@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC001598824344 996365828 /nfs/dbraw/zinc/36/58/28/996365828.db2.gz GORLIGOUZTWJDV-NWDGAFQWSA-N -1 0 377.426 0.776 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598824528 996366924 /nfs/dbraw/zinc/36/69/24/996366924.db2.gz HECVAYOWQYNGFX-TXEJJXNPSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C[C@@H]1C(=O)OC ZINC001598824526 996367597 /nfs/dbraw/zinc/36/75/97/996367597.db2.gz HCDMUGNALKNXHT-STQMWFEESA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598824643 996369130 /nfs/dbraw/zinc/36/91/30/996369130.db2.gz AJKSOVXWSQBSKS-VHSXEESVSA-N -1 0 393.215 0.338 20 0 GCADRM COC(=O)[C@@H]1CSCCN1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001598824785 996370309 /nfs/dbraw/zinc/37/03/09/996370309.db2.gz KIZBNOCQXUGLAW-CABCVRRESA-N -1 0 378.450 0.615 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C[C@@H]1C(=O)[O-] ZINC001598824941 996371865 /nfs/dbraw/zinc/37/18/65/996371865.db2.gz IXVLQTDSSIEHCQ-STQMWFEESA-N -1 0 384.410 0.448 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)CCO1 ZINC001598826140 996384969 /nfs/dbraw/zinc/38/49/69/996384969.db2.gz MOYQUXLFZHKZLF-LLVKDONJSA-N -1 0 377.802 0.909 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598826596 996389416 /nfs/dbraw/zinc/38/94/16/996389416.db2.gz JKVSRTJFHNCYEU-JGVFFNPUSA-N -1 0 383.209 0.883 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC001598826702 996391017 /nfs/dbraw/zinc/39/10/17/996391017.db2.gz ONGVIIYVSTYJPE-CYBMUJFWSA-N -1 0 384.341 0.981 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598826950 996392953 /nfs/dbraw/zinc/39/29/53/996392953.db2.gz KYIQCPLLJIALNA-WDEREUQCSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])Cc2ccccc21 ZINC001598827022 996393778 /nfs/dbraw/zinc/39/37/78/996393778.db2.gz OSPWYLPRPWXVDF-GFCCVEGCSA-N -1 0 379.394 0.877 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC001598827050 996394580 /nfs/dbraw/zinc/39/45/80/996394580.db2.gz PBFFRMSGRXBPRO-WDEREUQCSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@@H]1CN(CN2CCN(Cc3ccccc3F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598827252 996395650 /nfs/dbraw/zinc/39/56/50/996395650.db2.gz JUUPNHDQQHQSBL-UONOGXRCSA-N -1 0 379.388 0.826 20 0 GCADRM C[C@@]1(C(=O)NCCn2cc(C(=O)[O-])nn2)CC1(Br)Br ZINC001593754208 996397569 /nfs/dbraw/zinc/39/75/69/996397569.db2.gz RQOKBUPLTJNUOW-VIFPVBQESA-N -1 0 396.039 0.989 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H]1C(=O)OC ZINC001598827428 996398251 /nfs/dbraw/zinc/39/82/51/996398251.db2.gz QHDVZXOXSNOIPD-PHIMTYICSA-N -1 0 389.357 0.107 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598827491 996398697 /nfs/dbraw/zinc/39/86/97/996398697.db2.gz QZYJPWAAKZAGNI-ZIAGYGMSSA-N -1 0 384.410 0.164 20 0 GCADRM COC(=O)[C@H]1CN(c2ccc(I)cn2)C[C@H]1C(=O)[O-] ZINC001598827555 996399711 /nfs/dbraw/zinc/39/97/11/996399711.db2.gz NLOFTLZKDQXGDZ-BDAKNGLRSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(c2ccc(I)cn2)C[C@H]1C(=O)[O-] ZINC001598827561 996399858 /nfs/dbraw/zinc/39/98/58/996399858.db2.gz NLOFTLZKDQXGDZ-RKDXNWHRSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C[C@H]1C(=O)[O-] ZINC001598828097 996406544 /nfs/dbraw/zinc/40/65/44/996406544.db2.gz VRACGOLBVXLIJR-MNOVXSKESA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@H](OC)c3cccs3)n2C)C[C@@H]1C(=O)[O-] ZINC001598828643 996411984 /nfs/dbraw/zinc/41/19/84/996411984.db2.gz RWYBGEFXXHFIGQ-HOSYDEDBSA-N -1 0 380.426 0.922 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](OC)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001598828732 996413335 /nfs/dbraw/zinc/41/33/35/996413335.db2.gz XMBBTEFXJCOEMP-MCIONIFRSA-N -1 0 377.459 0.717 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC001598828750 996413480 /nfs/dbraw/zinc/41/34/80/996413480.db2.gz XMUXWDKESHBBIE-RKDXNWHRSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@H]1CN(CN2CCN(Cc3cccc(F)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598829936 996425762 /nfs/dbraw/zinc/42/57/62/996425762.db2.gz VKRSJRPHZLRIIZ-CABCVRRESA-N -1 0 379.388 0.826 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(-c3ccc4c(c3)N(C)CC4)n2C)C[C@@H]1C(=O)[O-] ZINC001598830107 996426711 /nfs/dbraw/zinc/42/67/11/996426711.db2.gz XEPWPMLXDBRCER-UONOGXRCSA-N -1 0 385.424 0.784 20 0 GCADRM COC(=O)[C@H]1CN(c2nnc(-c3ccc4c(c3)N(C)CC4)n2C)C[C@H]1C(=O)[O-] ZINC001598830106 996426763 /nfs/dbraw/zinc/42/67/63/996426763.db2.gz XEPWPMLXDBRCER-KGLIPLIRSA-N -1 0 385.424 0.784 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC001593762481 996431142 /nfs/dbraw/zinc/43/11/42/996431142.db2.gz MOGUVVFAQUIJKN-SCLBCKFNSA-N -1 0 375.429 0.275 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001593762961 996435182 /nfs/dbraw/zinc/43/51/82/996435182.db2.gz XWCKDRGKFAKRTO-NHYWBVRUSA-N -1 0 379.379 0.843 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001593764604 996438848 /nfs/dbraw/zinc/43/88/48/996438848.db2.gz JRMLZYOOCJYUAF-KSSFIOAISA-N -1 0 376.388 0.959 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCn2ccc(C(F)(F)F)n2)C1 ZINC001593764899 996439220 /nfs/dbraw/zinc/43/92/20/996439220.db2.gz LDRVVRRKBVTPDL-AWEZNQCLSA-N -1 0 376.335 0.731 20 0 GCADRM 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/nfs/dbraw/zinc/91/73/42/530917342.db2.gz MZNVJLWDJFLFIQ-UHFFFAOYSA-N -1 0 386.407 0.872 20 0 GCADRM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000584533786 530918025 /nfs/dbraw/zinc/91/80/25/530918025.db2.gz PFAUXTVZIIZFOW-IGSRQBSMSA-N -1 0 389.451 0.686 20 0 GCADRM CCc1nnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOC3)cc2)o1 ZINC000584539783 530918834 /nfs/dbraw/zinc/91/88/34/530918834.db2.gz DEIBSISQMMJCGF-UHFFFAOYSA-N -1 0 388.427 0.411 20 0 GCADRM COC(=O)Cc1csc([N-]S(=O)(=O)c2csnc2C(=O)OC)n1 ZINC000610673394 530919433 /nfs/dbraw/zinc/91/94/33/530919433.db2.gz LRUOXHABIZOTPA-UHFFFAOYSA-N -1 0 377.425 0.903 20 0 GCADRM CC(C)C[C@@H]1C[C@H](C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)CC(=O)N1 ZINC000509843718 530921862 /nfs/dbraw/zinc/92/18/62/530921862.db2.gz VVEIPKYGJAVXGP-DTWKUNHWSA-N -1 0 375.476 0.789 20 0 GCADRM O=C([O-])CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000392187742 530921905 /nfs/dbraw/zinc/92/19/05/530921905.db2.gz ONPBWSRMIHQDKP-UHFFFAOYSA-N -1 0 376.456 0.188 20 0 GCADRM C[C@@H]1C[C@@H](NC(=O)N2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CO1 ZINC000584717946 530922257 /nfs/dbraw/zinc/92/22/57/530922257.db2.gz MBRHKAFEKQBVPK-MWLCHTKSSA-N -1 0 388.412 0.324 20 0 GCADRM CCS(=O)(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000584716263 530922514 /nfs/dbraw/zinc/92/25/14/530922514.db2.gz FOIVXXTVPWYHJU-UHFFFAOYSA-N -1 0 391.467 0.981 20 0 GCADRM O=S(=O)(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccoc1 ZINC000509976625 530922953 /nfs/dbraw/zinc/92/29/53/530922953.db2.gz NFCBQYFKDLWUMT-UHFFFAOYSA-N -1 0 391.393 0.419 20 0 GCADRM CCOC(=O)c1nnc([N-]S(=O)(=O)c2csnc2C(=O)OC)s1 ZINC000610796637 530923609 /nfs/dbraw/zinc/92/36/09/530923609.db2.gz SOZHJCVELQOMNI-UHFFFAOYSA-N -1 0 378.413 0.759 20 0 GCADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCN(CC(F)F)C1 ZINC000584768278 530923747 /nfs/dbraw/zinc/92/37/47/530923747.db2.gz GHUOVTJJMPLZKC-VIFPVBQESA-N -1 0 383.367 0.699 20 0 GCADRM CCOC(=O)C1CCN(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)CC1 ZINC000584770979 530923775 /nfs/dbraw/zinc/92/37/75/530923775.db2.gz NXOMSMXKRLJYHU-SNVBAGLBSA-N -1 0 390.380 0.749 20 0 GCADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000584838607 530924917 /nfs/dbraw/zinc/92/49/17/530924917.db2.gz YJVZFEQHWSQPSZ-QWHCGFSZSA-N -1 0 390.483 0.832 20 0 GCADRM CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000510325729 530925212 /nfs/dbraw/zinc/92/52/12/530925212.db2.gz ULAWDGWDWIJVSD-GWCFXTLKSA-N -1 0 377.488 0.497 20 0 GCADRM CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000583900850 530926614 /nfs/dbraw/zinc/92/66/14/530926614.db2.gz YOSCPNYOAJZYBL-UHFFFAOYSA-N -1 0 392.421 0.619 20 0 GCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000262183851 530963917 /nfs/dbraw/zinc/96/39/17/530963917.db2.gz RBKKVZOVZAPEGQ-OAHLLOKOSA-N -1 0 388.467 0.706 20 0 GCADRM CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000521231426 530964739 /nfs/dbraw/zinc/96/47/39/530964739.db2.gz LELANQFHCXAXEG-GFCCVEGCSA-N -1 0 381.447 0.423 20 0 GCADRM CO[C@H](CS(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C(C)C ZINC000645709342 530941419 /nfs/dbraw/zinc/94/14/19/530941419.db2.gz NFDQFTBHTSRDQV-NXEZZACHSA-N -1 0 384.442 0.399 20 0 GCADRM Cc1[nH]c(=O)c(Br)cc1C(=O)N=c1[n-]c(CS(C)(=O)=O)no1 ZINC000512763306 530945367 /nfs/dbraw/zinc/94/53/67/530945367.db2.gz KJIBTRHDRKXLJA-UHFFFAOYSA-N -1 0 391.203 0.460 20 0 GCADRM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000512952079 530945742 /nfs/dbraw/zinc/94/57/42/530945742.db2.gz AUVWCMOIRSISGI-UHFFFAOYSA-N -1 0 390.464 0.538 20 0 GCADRM O=C(CNS(=O)(=O)c1ncc[n-]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000631900289 530949912 /nfs/dbraw/zinc/94/99/12/530949912.db2.gz NCZDXBUVUNDUGD-UHFFFAOYSA-N -1 0 383.861 0.690 20 0 GCADRM COC(=O)c1coc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1 ZINC000513816222 530951183 /nfs/dbraw/zinc/95/11/83/530951183.db2.gz KCRZYVBGMIOMPG-UHFFFAOYSA-N -1 0 375.384 0.482 20 0 GCADRM COc1ccc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)nn1 ZINC000572688237 530954940 /nfs/dbraw/zinc/95/49/40/530954940.db2.gz KREZWWOURAYEEE-UHFFFAOYSA-N -1 0 376.391 0.797 20 0 GCADRM CCS(=O)(=O)N1CCC(CNC(=O)N=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000516688228 530955108 /nfs/dbraw/zinc/95/51/08/530955108.db2.gz WEXVASULJOAPQP-JTQLQIEISA-N -1 0 391.519 0.851 20 0 GCADRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000516775174 530955389 /nfs/dbraw/zinc/95/53/89/530955389.db2.gz GDYYRQPXEMBIEB-HZSPNIEDSA-N -1 0 381.516 0.964 20 0 GCADRM CC(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cn(C)nn2)c1 ZINC000516785325 530955415 /nfs/dbraw/zinc/95/54/15/530955415.db2.gz IRHDGGBPXDGEGD-UHFFFAOYSA-N -1 0 387.487 0.940 20 0 GCADRM O=S(=O)([N-]CC1(O)CCS(=O)(=O)CC1)c1c(Cl)ccc(F)c1F ZINC000522021979 530973079 /nfs/dbraw/zinc/97/30/79/530973079.db2.gz BXWWQYVCVNXENQ-UHFFFAOYSA-N -1 0 389.829 0.836 20 0 GCADRM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000193672675 530974671 /nfs/dbraw/zinc/97/46/71/530974671.db2.gz ONWVGXDSTWDUME-UHFFFAOYSA-N -1 0 390.380 0.945 20 0 GCADRM CC[C@H](CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)OC)cc1)OC ZINC000421161089 530977441 /nfs/dbraw/zinc/97/74/41/530977441.db2.gz ZOWDSAGMJDJSMH-GFCCVEGCSA-N -1 0 394.471 0.305 20 0 GCADRM CC(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br)C(N)=O ZINC000230952648 530980885 /nfs/dbraw/zinc/98/08/85/530980885.db2.gz JUMGSHYQOPSYPD-SNVBAGLBSA-N -1 0 379.232 0.936 20 0 GCADRM C[C@@]1(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCCC[C@@H]1C(=O)[O-] ZINC000571795538 530981382 /nfs/dbraw/zinc/98/13/82/530981382.db2.gz DKAKTJRXIWYBRK-TZMCWYRMSA-N -1 0 376.456 0.646 20 0 GCADRM CSC[C@](C)(O)CNS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000571926674 530982662 /nfs/dbraw/zinc/98/26/62/530982662.db2.gz ASNLEOYBZKZTQN-CQSZACIVSA-N -1 0 377.440 0.548 20 0 GCADRM C[C@H](CCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)[O-] ZINC000571971331 530983311 /nfs/dbraw/zinc/98/33/11/530983311.db2.gz FYFSYBUCNOQDGC-LLVKDONJSA-N -1 0 390.483 0.907 20 0 GCADRM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000571998313 530983856 /nfs/dbraw/zinc/98/38/56/530983856.db2.gz RMXZFTKFKUXLJN-MRVPVSSYSA-N -1 0 385.485 0.899 20 0 GCADRM CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000572045617 530984469 /nfs/dbraw/zinc/98/44/69/530984469.db2.gz VZPDOXWNZYMALO-SNVBAGLBSA-N -1 0 382.847 0.350 20 0 GCADRM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccn1 ZINC000524106710 530984788 /nfs/dbraw/zinc/98/47/88/530984788.db2.gz FDDXWKIHFMYZNL-UHFFFAOYSA-N -1 0 383.451 0.410 20 0 GCADRM Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CCC(=O)[O-])nc12 ZINC000420557261 530969364 /nfs/dbraw/zinc/96/93/64/530969364.db2.gz JQMWSXRIXIXEQP-UHFFFAOYSA-N -1 0 397.229 0.955 20 0 GCADRM CN(CCCC(=O)[O-])C(=O)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000420537042 530969494 /nfs/dbraw/zinc/96/94/94/530969494.db2.gz NQANPCAHCGOACP-UHFFFAOYSA-N -1 0 390.845 0.553 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000420565962 530969558 /nfs/dbraw/zinc/96/95/58/530969558.db2.gz UCUJYZNAJOWOAL-MRVPVSSYSA-N -1 0 376.196 0.817 20 0 GCADRM CCC[C@@H](CCCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000521763740 530969725 /nfs/dbraw/zinc/96/97/25/530969725.db2.gz WENCOCWHHOTYTP-ZDUSSCGKSA-N -1 0 399.535 0.069 20 0 GCADRM O=C([O-])CCNC(=O)C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000420596323 530969879 /nfs/dbraw/zinc/96/98/79/530969879.db2.gz HIIDFKQFVVNVJB-LBPRGKRZSA-N -1 0 385.214 0.940 20 0 GCADRM CO[C@@H]1CN(C(=O)NCc2c(Br)cnn2C)[C@](C)(C(=O)[O-])C1 ZINC000630076956 530969812 /nfs/dbraw/zinc/96/98/12/530969812.db2.gz LYECMNYXZDANGH-SDBXPKJASA-N -1 0 375.223 0.956 20 0 GCADRM Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)NCCC(=O)[O-] ZINC000420602010 530970178 /nfs/dbraw/zinc/97/01/78/530970178.db2.gz RIPSSYYMDBMNPR-UHFFFAOYSA-N -1 0 386.202 0.403 20 0 GCADRM CN(CC(=O)N1CCOC[C@@H]1C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000262436335 530985073 /nfs/dbraw/zinc/98/50/73/530985073.db2.gz FLPFRXAZYBZWHK-GFCCVEGCSA-N -1 0 376.818 0.273 20 0 GCADRM Cc1conc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000521899332 530970826 /nfs/dbraw/zinc/97/08/26/530970826.db2.gz RXRKYIATHWKGSG-UHFFFAOYSA-N -1 0 375.428 0.397 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 ZINC000262262130 530971066 /nfs/dbraw/zinc/97/10/66/530971066.db2.gz UVHZYQLCIRVAGG-HNNXBMFYSA-N -1 0 387.483 0.689 20 0 GCADRM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000525019972 530992101 /nfs/dbraw/zinc/99/21/01/530992101.db2.gz JJYABEYHKOHPMA-UHFFFAOYSA-N -1 0 384.361 0.894 20 0 GCADRM CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262501139 530993235 /nfs/dbraw/zinc/99/32/35/530993235.db2.gz KQDGGTMDWIGBIK-SWLSCSKDSA-N -1 0 376.406 0.080 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)c[nH]1 ZINC000525237193 530993537 /nfs/dbraw/zinc/99/35/37/530993537.db2.gz CDMNULMAVZQVTB-UHFFFAOYSA-N -1 0 389.411 0.258 20 0 GCADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Br)ccc2-n2cnnn2)CCO1 ZINC000659133962 530994050 /nfs/dbraw/zinc/99/40/50/530994050.db2.gz MICCLZBPHRAPED-SNVBAGLBSA-N -1 0 396.201 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CC(=O)NCCN(C(=O)c1cc(S(C)(=O)=O)cc(C)c1C)[C@H](C)C(=O)[O-] ZINC000263470834 597685634 /nfs/dbraw/zinc/68/56/34/597685634.db2.gz XUBKTLYKPDXVBO-GFCCVEGCSA-N -1 0 384.454 0.758 20 0 GCADRM CC(=O)NCCN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H](C)C(=O)[O-] ZINC000781135202 597686725 /nfs/dbraw/zinc/68/67/25/597686725.db2.gz RTQVUEWJKMOXJQ-VIFPVBQESA-N -1 0 377.319 0.305 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(=O)[O-] ZINC000541894843 597686753 /nfs/dbraw/zinc/68/67/53/597686753.db2.gz RDHSBHDBZAEEDX-ZDUSSCGKSA-N -1 0 377.441 0.699 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1c(C)nc2c(c(C)nn2C)c1C)[C@H](C)C(=O)[O-] ZINC000679654448 597686939 /nfs/dbraw/zinc/68/69/39/597686939.db2.gz FAQHINAAGKABFO-CYBMUJFWSA-N -1 0 389.456 0.874 20 0 GCADRM CC(=O)NCCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[C@H](C)C(=O)[O-] ZINC000262260924 597687522 /nfs/dbraw/zinc/68/75/22/597687522.db2.gz SBGUHAFGZDHIAJ-SNVBAGLBSA-N -1 0 377.376 0.766 20 0 GCADRM CC(=O)NCCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)[O-] 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/nfs/dbraw/zinc/66/42/91/601664291.db2.gz JECNGETWTBPSJI-ONGXEEELSA-N -1 0 383.417 0.613 20 0 GCADRM CC[C@H](NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])C(=O)N1CCOCC1 ZINC000828939228 601664989 /nfs/dbraw/zinc/66/49/89/601664989.db2.gz CJJHWSHCNVMVSB-LBPRGKRZSA-N -1 0 379.413 0.520 20 0 GCADRM CCOc1cc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)ccc1OCC(=O)[O-] ZINC000830033009 601665095 /nfs/dbraw/zinc/66/50/95/601665095.db2.gz ZMSTXWPXHXDTSW-CQSZACIVSA-N -1 0 394.424 0.916 20 0 GCADRM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc(S(=O)(=O)N(C)C)c1C ZINC000486372604 601665431 /nfs/dbraw/zinc/66/54/31/601665431.db2.gz LPLJWYUFQCWAIB-CQSZACIVSA-N -1 0 384.454 0.869 20 0 GCADRM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1=O ZINC000828127828 601666844 /nfs/dbraw/zinc/66/68/44/601666844.db2.gz JYNSLXIKWZBNNT-FZKQIMNGSA-N -1 0 375.381 0.156 20 0 GCADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262462584 601666963 /nfs/dbraw/zinc/66/69/63/601666963.db2.gz WKSXHKOUMWXAFZ-UONOGXRCSA-N -1 0 390.392 0.722 20 0 GCADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCO1 ZINC000262746269 601667181 /nfs/dbraw/zinc/66/71/81/601667181.db2.gz HSBYDQQGDNFZPG-YUELXQCFSA-N -1 0 396.440 0.671 20 0 GCADRM C[C@H]1Cc2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)ccc2N1S(C)(=O)=O ZINC000332620977 601667442 /nfs/dbraw/zinc/66/74/42/601667442.db2.gz WTXJIQJQFVSANG-SMDDNHRTSA-N -1 0 382.438 0.713 20 0 GCADRM CN1CCN(C(=O)c2ccc(CNC(=O)NCC(C)(C)C(=O)[O-])cc2)CC1 ZINC000830949867 601667489 /nfs/dbraw/zinc/66/74/89/601667489.db2.gz HIADFZZVBDNJAR-UHFFFAOYSA-N -1 0 376.457 0.984 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262416396 601668441 /nfs/dbraw/zinc/66/84/41/601668441.db2.gz PZRVSOSAUOIFNV-IMIFBBOLSA-N -1 0 384.458 0.331 20 0 GCADRM COc1cc(OC)cc(N2C[C@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)CC2=O)c1 ZINC000832081136 601671119 /nfs/dbraw/zinc/67/11/19/601671119.db2.gz ZYSUMQDKMAISFK-MLGOLLRUSA-N -1 0 392.408 0.759 20 0 GCADRM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262026379 601671124 /nfs/dbraw/zinc/67/11/24/601671124.db2.gz AGRNFDBTIOCRCL-AWEZNQCLSA-N -1 0 382.438 0.851 20 0 GCADRM CC(=O)N1CCN([C@@H]2CN(C(=O)c3cccc(OCC(=O)[O-])c3)C[C@H]2C)CC1 ZINC000825841553 601671888 /nfs/dbraw/zinc/67/18/88/601671888.db2.gz SKWKBLLWRDAIAT-RDTXWAMCSA-N -1 0 389.452 0.775 20 0 GCADRM COC(=O)COc1c(C)cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1C ZINC000831179478 601675429 /nfs/dbraw/zinc/67/54/29/601675429.db2.gz DGYOASMOIUHPTI-ZDUSSCGKSA-N -1 0 378.381 0.271 20 0 GCADRM COc1ccc([C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cc1 ZINC000832241361 601678556 /nfs/dbraw/zinc/67/85/56/601678556.db2.gz PCFDJSBBOXSPEZ-IINYFYTJSA-N -1 0 396.425 0.038 20 0 GCADRM COc1ccc([C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)C(=O)[O-])cc1 ZINC000832241363 601678670 /nfs/dbraw/zinc/67/86/70/601678670.db2.gz PCFDJSBBOXSPEZ-YGRLFVJLSA-N -1 0 396.425 0.038 20 0 GCADRM CCOC[C@@H](O)CN1CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000829984851 601680173 /nfs/dbraw/zinc/68/01/73/601680173.db2.gz SGQPUGKTRJNFDH-KRWDZBQOSA-N -1 0 394.468 0.922 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000827760193 601682177 /nfs/dbraw/zinc/68/21/77/601682177.db2.gz FTQUVTFGPHRKKG-MFKMUULPSA-N -1 0 378.410 0.302 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000832455094 601682928 /nfs/dbraw/zinc/68/29/28/601682928.db2.gz PQUVYFBALISDJH-UHFFFAOYSA-N -1 0 399.469 0.822 20 0 GCADRM Cc1cc(C(=O)N2CCC(CS(N)(=O)=O)CC2)cc(C)c1OCC(=O)[O-] ZINC000832860924 601684484 /nfs/dbraw/zinc/68/44/84/601684484.db2.gz RCNMJZNFHOZOND-UHFFFAOYSA-N -1 0 384.454 0.908 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000827760694 601685552 /nfs/dbraw/zinc/68/55/52/601685552.db2.gz OTMIEGYNITWGPW-NWDGAFQWSA-N -1 0 392.437 0.692 20 0 GCADRM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000831020582 601688325 /nfs/dbraw/zinc/68/83/25/601688325.db2.gz XKRZGAGSACWVBC-AWEZNQCLSA-N -1 0 384.454 0.921 20 0 GCADRM Cc1cc(C(=O)Nc2nc(CS(C)(=O)=O)no2)cc(C)c1OCC(=O)[O-] ZINC000832866437 601690170 /nfs/dbraw/zinc/69/01/70/601690170.db2.gz FHXWDTVCPIYMJO-UHFFFAOYSA-N -1 0 383.382 0.947 20 0 GCADRM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)C1=O ZINC000830908680 601691754 /nfs/dbraw/zinc/69/17/54/601691754.db2.gz ZTRFOEYVBAFUTF-ADLMAVQZSA-N -1 0 390.396 0.992 20 0 GCADRM COC[C@@](C)(NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC000831608523 601692508 /nfs/dbraw/zinc/69/25/08/601692508.db2.gz UFSWVFIPHARMQR-MSOLQXFVSA-N -1 0 377.397 0.368 20 0 GCADRM COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)[O-] ZINC000831623543 601692641 /nfs/dbraw/zinc/69/26/41/601692641.db2.gz JVIFPKVSEWLIIQ-QGZVFWFLSA-N -1 0 393.421 0.524 20 0 GCADRM COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000831179986 601694139 /nfs/dbraw/zinc/69/41/39/601694139.db2.gz KISSHASULBSAKB-AWEZNQCLSA-N -1 0 393.396 0.226 20 0 GCADRM COC[C@](C)(NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)[O-] ZINC000262072859 601694338 /nfs/dbraw/zinc/69/43/38/601694338.db2.gz JAJQQTLZRYIWJA-INIZCTEOSA-N -1 0 387.458 0.419 20 0 GCADRM COC[C@](C)(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)[O-] ZINC000271885852 601695783 /nfs/dbraw/zinc/69/57/83/601695783.db2.gz CNHCCGNFPQIXFC-LBPRGKRZSA-N -1 0 395.231 0.316 20 0 GCADRM COC[C@@](C)(NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)[O-] ZINC000360552582 601697766 /nfs/dbraw/zinc/69/77/66/601697766.db2.gz JPONICDGRCJJJA-DNVCBOLYSA-N -1 0 389.408 0.068 20 0 GCADRM COC[C@](C)(NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)[O-] ZINC000360552584 601697782 /nfs/dbraw/zinc/69/77/82/601697782.db2.gz JPONICDGRCJJJA-KXBFYZLASA-N -1 0 389.408 0.068 20 0 GCADRM COC[C@@](C)(NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000831596642 601698022 /nfs/dbraw/zinc/69/80/22/601698022.db2.gz FVEOVSUUBFNRDI-KZULUSFZSA-N -1 0 378.381 0.417 20 0 GCADRM COC[C@](C)(NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC000831596643 601698053 /nfs/dbraw/zinc/69/80/53/601698053.db2.gz FVEOVSUUBFNRDI-SGTLLEGYSA-N -1 0 378.381 0.417 20 0 GCADRM COC[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000262159794 601698100 /nfs/dbraw/zinc/69/81/00/601698100.db2.gz VBRFGFVMQLJUER-ZMZPIMSZSA-N -1 0 378.381 0.417 20 0 GCADRM COC[C@](C)(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)[O-] ZINC000831617598 601698311 /nfs/dbraw/zinc/69/83/11/601698311.db2.gz LJALUJFOLZFHBN-AWEZNQCLSA-N -1 0 378.834 0.810 20 0 GCADRM COC[C@](C)(NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)[O-] ZINC000831613380 601698980 /nfs/dbraw/zinc/69/89/80/601698980.db2.gz UYAMKNJYEHCUPC-HNNXBMFYSA-N -1 0 398.213 0.765 20 0 GCADRM Cn1cc(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000776651161 601699181 /nfs/dbraw/zinc/69/91/81/601699181.db2.gz YAIRBBJASMMESY-BMWLXYDHSA-N -1 0 377.784 0.693 20 0 GCADRM Cn1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000776651165 601699188 /nfs/dbraw/zinc/69/91/88/601699188.db2.gz YAIRBBJASMMESY-LHRNQBEKSA-N -1 0 377.784 0.693 20 0 GCADRM Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC000833053531 601700159 /nfs/dbraw/zinc/70/01/59/601700159.db2.gz VMWKQOXRGHRGGR-ZDUSSCGKSA-N -1 0 386.817 0.294 20 0 GCADRM COC[C@](C)(NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C)C(=O)[O-] ZINC000262927370 601700483 /nfs/dbraw/zinc/70/04/83/601700483.db2.gz JOFFWIDEKKXOHR-RBUKOAKNSA-N -1 0 389.408 0.591 20 0 GCADRM COC[C@](C)(NC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000263022692 601700983 /nfs/dbraw/zinc/70/09/83/601700983.db2.gz YMPIREOQTQGXDK-KRWDZBQOSA-N -1 0 386.470 0.886 20 0 GCADRM COC[C@](C)(NC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)[O-] ZINC000262116647 601701197 /nfs/dbraw/zinc/70/11/97/601701197.db2.gz OYDSDFKZVDYMHP-FVMDXXJSSA-N -1 0 382.442 0.667 20 0 GCADRM COCCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)cc2S1(=O)=O ZINC000831740495 601701289 /nfs/dbraw/zinc/70/12/89/601701289.db2.gz GPALEGORAMHDQQ-ZWNOBZJWSA-N -1 0 396.421 0.270 20 0 GCADRM COCCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)cc2S1(=O)=O ZINC000831740493 601701443 /nfs/dbraw/zinc/70/14/43/601701443.db2.gz GPALEGORAMHDQQ-GXFFZTMASA-N -1 0 396.421 0.270 20 0 GCADRM O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CC1 ZINC000833125854 601701671 /nfs/dbraw/zinc/70/16/71/601701671.db2.gz UTZJKLONEXTASF-UKRRQHHQSA-N -1 0 382.438 0.737 20 0 GCADRM C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C[C@@H]1C(=O)[O-] ZINC000828400712 601703164 /nfs/dbraw/zinc/70/31/64/601703164.db2.gz AALQJXSENJRZNW-ZANVPECISA-N -1 0 378.406 0.786 20 0 GCADRM NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC000268983964 601704194 /nfs/dbraw/zinc/70/41/94/601704194.db2.gz OYEJGPBIMMROIU-SNVBAGLBSA-N -1 0 377.216 0.690 20 0 GCADRM Cn1c2ncn(CC(=O)OCc3ccc(C(=O)[O-])c(F)c3)c2c(=O)n(C)c1=O ZINC000833038427 601704638 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/nfs/dbraw/zinc/81/46/30/1194814630.db2.gz FAYMKYMCMXGHKN-UHFFFAOYSA-N -1 0 384.454 0.666 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCc1nc(COc2ccccc2)n[nH]1)C(=O)[O-] ZINC000424478565 1194814636 /nfs/dbraw/zinc/81/46/36/1194814636.db2.gz CRYROWMEEYLKJL-UHFFFAOYSA-N -1 0 389.412 0.617 20 0 GCADRM C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCC(C)(C)C(=O)[O-])C[C@H](C)O1 ZINC000424481723 1194814760 /nfs/dbraw/zinc/81/47/60/1194814760.db2.gz LHKAQOCWNRYGSO-QLFBSQMISA-N -1 0 383.489 0.704 20 0 GCADRM Cc1ccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1S(C)(=O)=O ZINC000424480073 1194814803 /nfs/dbraw/zinc/81/48/03/1194814803.db2.gz FWRVVEYHMRPYCO-UHFFFAOYSA-N -1 0 384.454 0.632 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1)C(=O)[O-] ZINC000424510663 1194815120 /nfs/dbraw/zinc/81/51/20/1194815120.db2.gz YFBQKQKLQPCVFS-UHFFFAOYSA-N -1 0 385.461 0.137 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000424510869 1194815144 /nfs/dbraw/zinc/81/51/44/1194815144.db2.gz SOCNIKVZCFDJDE-UHFFFAOYSA-N -1 0 376.457 0.733 20 0 GCADRM CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)NCCC(C)(C)C(=O)[O-])no1 ZINC000424483120 1194815444 /nfs/dbraw/zinc/81/54/44/1194815444.db2.gz PDCCUFXIIUIFJM-NSHDSACASA-N -1 0 382.417 0.710 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1)C(=O)[O-] ZINC000424484343 1194815448 /nfs/dbraw/zinc/81/54/48/1194815448.db2.gz UBRIPAVUIJVTSJ-ZDUSSCGKSA-N -1 0 393.440 0.865 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)[O-] ZINC000424511225 1194815514 /nfs/dbraw/zinc/81/55/14/1194815514.db2.gz YOBVSSXSIQMSQV-CQSZACIVSA-N -1 0 381.473 0.901 20 0 GCADRM COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC000424484472 1194815565 /nfs/dbraw/zinc/81/55/65/1194815565.db2.gz UWJUXVSJAPMBHH-UHFFFAOYSA-N -1 0 376.409 0.975 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1)C(=O)[O-] ZINC000424484791 1194815578 /nfs/dbraw/zinc/81/55/78/1194815578.db2.gz VPASNHMDUZKAOJ-UHFFFAOYSA-N -1 0 381.454 0.650 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1)C(=O)[O-] ZINC000424485077 1194815697 /nfs/dbraw/zinc/81/56/97/1194815697.db2.gz WRBKDDWKXXFMOL-OAHLLOKOSA-N -1 0 378.425 0.910 20 0 GCADRM CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424484298 1194815830 /nfs/dbraw/zinc/81/58/30/1194815830.db2.gz TYCIEEYOOXEKRP-UHFFFAOYSA-N -1 0 380.426 0.972 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)C(=O)[O-] ZINC000424487518 1194815991 /nfs/dbraw/zinc/81/59/91/1194815991.db2.gz HYAWYRBRTXZSRC-UONOGXRCSA-N -1 0 399.488 0.383 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)C(=O)[O-] ZINC000424487516 1194816062 /nfs/dbraw/zinc/81/60/62/1194816062.db2.gz HYAWYRBRTXZSRC-KBPBESRZSA-N -1 0 399.488 0.383 20 0 GCADRM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CC2 ZINC000424486276 1194816110 /nfs/dbraw/zinc/81/61/10/1194816110.db2.gz FFULZAJYWISKRU-ZIAGYGMSSA-N -1 0 384.473 0.772 20 0 GCADRM CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C1=O 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MGZAWVYPMVZJAS-AWEZNQCLSA-N -1 0 391.472 0.767 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCN(c2nccnc2C)CC1)C(=O)[O-] ZINC000424493533 1194817283 /nfs/dbraw/zinc/81/72/83/1194817283.db2.gz OEOPUXWUYJJXKU-UHFFFAOYSA-N -1 0 377.445 0.441 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N(C)C1CCN(c2cccnn2)CC1)C(=O)[O-] ZINC000424494046 1194817519 /nfs/dbraw/zinc/81/75/19/1194817519.db2.gz PBHHTTDFJPDWPX-UHFFFAOYSA-N -1 0 391.472 0.911 20 0 GCADRM CC(C)(CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000424495889 1194817621 /nfs/dbraw/zinc/81/76/21/1194817621.db2.gz GPOLODOTTRYSSN-GFCCVEGCSA-N -1 0 379.388 0.664 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCc1cc(F)ccc1N1CCOCC1)C(=O)[O-] ZINC000424496569 1194817830 /nfs/dbraw/zinc/81/78/30/1194817830.db2.gz HPBDHMGBILOHNE-UHFFFAOYSA-N -1 0 395.431 0.896 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000424501386 1194818526 /nfs/dbraw/zinc/81/85/26/1194818526.db2.gz MLOVNOBSDGIIKD-JTQLQIEISA-N -1 0 395.378 0.663 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@H](C)c1nnnn1-c1ccccc1)C(=O)[O-] ZINC000424502351 1194818632 /nfs/dbraw/zinc/81/86/32/1194818632.db2.gz NRHVMICAJLLMBU-GFCCVEGCSA-N -1 0 388.428 0.847 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000424503355 1194818805 /nfs/dbraw/zinc/81/88/05/1194818805.db2.gz OZGULINMGLZULE-VIFPVBQESA-N -1 0 381.351 0.273 20 0 GCADRM CC(C)C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1)C(=O)[O-] ZINC000424506366 1194818869 /nfs/dbraw/zinc/81/88/69/1194818869.db2.gz STPMURZSPNLXQJ-KGLIPLIRSA-N -1 0 379.461 0.368 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1)C(=O)[O-] ZINC000424516258 1194821142 /nfs/dbraw/zinc/82/11/42/1194821142.db2.gz JESJULGERBDWHD-UHFFFAOYSA-N -1 0 378.429 0.152 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000424519184 1194821276 /nfs/dbraw/zinc/82/12/76/1194821276.db2.gz NSOHKCJRABZCNJ-UHFFFAOYSA-N -1 0 375.381 0.016 20 0 GCADRM CC(C)(CCNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000424522741 1194821567 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381.498 0.472 20 0 GCADRM COc1cccc(S([O-])=CC(=O)N2CCC(C(=O)NCCCO)CC2)c1 ZINC000424738527 1194829181 /nfs/dbraw/zinc/82/91/81/1194829181.db2.gz MUTUTZJSCWJJFL-SANMLTNESA-N -1 0 382.482 0.540 20 0 GCADRM COCC(C)(C)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC000424989072 1194834695 /nfs/dbraw/zinc/83/46/95/1194834695.db2.gz HMAAWLKZJCPBLI-UHFFFAOYSA-N -1 0 399.513 0.825 20 0 GCADRM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)c1 ZINC000513819209 1194837505 /nfs/dbraw/zinc/83/75/05/1194837505.db2.gz RVWMWZVJAOVFTI-JTQLQIEISA-N -1 0 382.394 0.978 20 0 GCADRM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000434373775 1194842490 /nfs/dbraw/zinc/84/24/90/1194842490.db2.gz POTCRUATDZNQCP-NSHDSACASA-N -1 0 394.391 0.784 20 0 GCADRM COC(=O)C1(C)CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1 ZINC000425129580 1194859017 /nfs/dbraw/zinc/85/90/17/1194859017.db2.gz CMIMZGPONRRNJV-UHFFFAOYSA-N -1 0 382.438 0.812 20 0 GCADRM 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O=C([O-])Cn1cc(C(=O)N[C@@H](CCO)c2ccccc2Br)nn1 ZINC001595141180 952079667 /nfs/dbraw/zinc/07/96/67/952079667.db2.gz BBPHKMWCMBUADC-NSHDSACASA-N -1 0 383.202 0.979 20 0 GCADRM O=C([O-])Cn1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1 ZINC001595142543 952092665 /nfs/dbraw/zinc/09/26/65/952092665.db2.gz NCPUZDJSUVYXDQ-UHFFFAOYSA-N -1 0 377.788 0.614 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CCn3ccnc3C2)C1 ZINC001602891655 971801836 /nfs/dbraw/zinc/80/18/36/971801836.db2.gz BHKFYEKXNYTXGT-XIKOKIGWSA-N -1 0 394.428 0.405 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC001602891650 971801849 /nfs/dbraw/zinc/80/18/49/971801849.db2.gz BHKFYEKXNYTXGT-SGTLLEGYSA-N -1 0 394.428 0.405 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602891767 971801876 /nfs/dbraw/zinc/80/18/76/971801876.db2.gz BVTJDWXCQURKHX-NEPJUHHUSA-N -1 0 377.463 0.627 20 0 GCADRM C[C@@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575133292 952102793 /nfs/dbraw/zinc/10/27/93/952102793.db2.gz DIPCORZVTULUEG-UGSOOPFHSA-N -1 0 386.460 0.735 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCc2ccncc2)C1 ZINC001602892099 971802845 /nfs/dbraw/zinc/80/28/45/971802845.db2.gz FBDMFBYEQADCFU-SFHVURJKSA-N -1 0 379.413 0.831 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC[C@H](C(C)(C)O)C2)C1 ZINC001602892116 971803013 /nfs/dbraw/zinc/80/30/13/971803013.db2.gz FOKADLGHKQFNDD-SGTLLEGYSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC[C@@H](C(C)(C)O)C2)C1 ZINC001602892114 971803186 /nfs/dbraw/zinc/80/31/86/971803186.db2.gz FOKADLGHKQFNDD-KZULUSFZSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NC2COC(C)(C)OC2)C1 ZINC001602892865 971804759 /nfs/dbraw/zinc/80/47/59/971804759.db2.gz IRTOJGAGUHWXQX-QGZVFWFLSA-N -1 0 388.417 0.345 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CCC[C@H]2CCO)C1 ZINC001602893329 971810018 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O=C([O-])Cn1cccc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c1=O ZINC001595155307 952163383 /nfs/dbraw/zinc/16/33/83/952163383.db2.gz WZPMQNIPQQYMKC-MRXNPFEDSA-N -1 0 383.404 0.506 20 0 GCADRM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1=O ZINC001595155700 952165562 /nfs/dbraw/zinc/16/55/62/952165562.db2.gz VHBZRXCTVSDUPS-DJIMGWMZSA-N -1 0 395.415 0.820 20 0 GCADRM O=C([O-])Cn1cccc(C(=O)NCc2ccnc(OC3CCOCC3)c2)c1=O ZINC001595156068 952167308 /nfs/dbraw/zinc/16/73/08/952167308.db2.gz CZQDQEZLZZHVHB-UHFFFAOYSA-N -1 0 387.392 0.816 20 0 GCADRM O=C([O-])Cn1cccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1=O ZINC001595155974 952167577 /nfs/dbraw/zinc/16/75/77/952167577.db2.gz AFPRQJLJJSXLON-UHFFFAOYSA-N -1 0 383.360 0.834 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575144797 952172576 /nfs/dbraw/zinc/17/25/76/952172576.db2.gz LSMDMZLEYLMHAS-JTQLQIEISA-N -1 0 382.432 0.262 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCCC(=O)[O-])C1 ZINC001602893293 971809224 /nfs/dbraw/zinc/80/92/24/971809224.db2.gz RPNVCPUVTNBNAT-LLVKDONJSA-N -1 0 393.462 0.185 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575144875 952173928 /nfs/dbraw/zinc/17/39/28/952173928.db2.gz MYXOFBWEXQIGKX-VIFPVBQESA-N -1 0 385.457 0.985 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001602893336 971810269 /nfs/dbraw/zinc/81/02/69/971810269.db2.gz TUIPVOPOKJGNJN-XQQFMLRXSA-N -1 0 392.474 0.795 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575145128 952178716 /nfs/dbraw/zinc/17/87/16/952178716.db2.gz QTNRVIMCPYDGLA-NSHDSACASA-N -1 0 380.412 0.681 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575145225 952180054 /nfs/dbraw/zinc/18/00/54/952180054.db2.gz STWKUBBIMWGARE-JTQLQIEISA-N -1 0 385.432 0.937 20 0 GCADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145197 952180235 /nfs/dbraw/zinc/18/02/35/952180235.db2.gz 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O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC1CN(C(=O)OCc2ccccc2)C1 ZINC001595168894 952216211 /nfs/dbraw/zinc/21/62/11/952216211.db2.gz ARSPKOARZDDNSQ-AWEZNQCLSA-N -1 0 383.426 0.391 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001595169185 952217788 /nfs/dbraw/zinc/21/77/88/952217788.db2.gz HCILTDOVXOZDMD-QMMMGPOBSA-N -1 0 375.204 0.730 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001595169146 952217987 /nfs/dbraw/zinc/21/79/87/952217987.db2.gz KAXXOCVTLMYBNQ-OCCSQVGLSA-N -1 0 385.417 0.705 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC001595169142 952218026 /nfs/dbraw/zinc/21/80/26/952218026.db2.gz CWHIHCCVAOVYCQ-IUCAKERBSA-N -1 0 397.379 0.286 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC001595169145 952218100 /nfs/dbraw/zinc/21/81/00/952218100.db2.gz KAXXOCVTLMYBNQ-JSGCOSHPSA-N -1 0 385.417 0.705 20 0 GCADRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H]1C1CC1 ZINC001595190732 952280615 /nfs/dbraw/zinc/28/06/15/952280615.db2.gz OYXRERHYKHRQHS-NWDGAFQWSA-N -1 0 379.394 0.772 20 0 GCADRM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1c(Cl)nc3sccn31)C2 ZINC001595192757 952293231 /nfs/dbraw/zinc/29/32/31/952293231.db2.gz WPBNIPPVXGOMLQ-MADCSZMMSA-N -1 0 377.831 0.771 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001595199683 952307395 /nfs/dbraw/zinc/30/73/95/952307395.db2.gz QEZGSTASKMEQDX-CYBMUJFWSA-N -1 0 398.437 0.592 20 0 GCADRM O=C([O-])c1cc(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)[nH]n1 ZINC001595206464 952329300 /nfs/dbraw/zinc/32/93/00/952329300.db2.gz AVLNBZIKCIVBKJ-INIZCTEOSA-N -1 0 383.408 0.671 20 0 GCADRM C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575166784 952330692 /nfs/dbraw/zinc/33/06/92/952330692.db2.gz ZDEPPULRXACGDP-BQBZGAKWSA-N -1 0 384.853 0.514 20 0 GCADRM O=C([O-])c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH]n1 ZINC001595207047 952335604 /nfs/dbraw/zinc/33/56/04/952335604.db2.gz 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954852060 /nfs/dbraw/zinc/85/20/60/954852060.db2.gz RYJRXOFVLNAQKO-SFHVURJKSA-N -1 0 395.481 0.744 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001593801545 954852227 /nfs/dbraw/zinc/85/22/27/954852227.db2.gz DWRQTQCVKCUSNK-UHFFFAOYSA-N -1 0 380.426 0.792 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC001594935311 954854102 /nfs/dbraw/zinc/85/41/02/954854102.db2.gz MUYDSTNJTRXSLB-LBPRGKRZSA-N -1 0 385.417 0.562 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001593801978 954856886 /nfs/dbraw/zinc/85/68/86/954856886.db2.gz PBFBBBGSXBWFAA-AWEZNQCLSA-N -1 0 397.453 0.099 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC001594935644 954858744 /nfs/dbraw/zinc/85/87/44/954858744.db2.gz VFTVHTODVXTZIO-HNNXBMFYSA-N -1 0 396.469 0.924 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC001594938794 954860345 /nfs/dbraw/zinc/86/03/45/954860345.db2.gz CYPQAUDPSZIVKZ-QGZVFWFLSA-N 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COC(=O)[C@@H](O)C1CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001593810393 954930686 /nfs/dbraw/zinc/93/06/86/954930686.db2.gz FBGNFILHUUSLMB-NTXUUIFSSA-N -1 0 384.429 0.354 20 0 GCADRM COC(=O)[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1Br ZINC001593810571 954933104 /nfs/dbraw/zinc/93/31/04/954933104.db2.gz GAWCNEKDHQRTTR-GFCCVEGCSA-N -1 0 397.185 0.769 20 0 GCADRM COC(=O)[C@@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1ccccc1Br ZINC001593810572 954933388 /nfs/dbraw/zinc/93/33/88/954933388.db2.gz GAWCNEKDHQRTTR-LBPRGKRZSA-N -1 0 397.185 0.769 20 0 GCADRM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001593812129 954955591 /nfs/dbraw/zinc/95/55/91/954955591.db2.gz YDUQSUCINPOBPR-ZDUSSCGKSA-N -1 0 383.344 0.749 20 0 GCADRM COC(=O)[C@]1(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C[C@H]1c1ccccc1 ZINC001593812943 954963972 /nfs/dbraw/zinc/96/39/72/954963972.db2.gz NZIURXAQHREWLF-BXTJHSDWSA-N -1 0 388.420 0.915 20 0 GCADRM COC(=O)C1(CS(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CCCC1 ZINC001593812960 954964033 /nfs/dbraw/zinc/96/40/33/954964033.db2.gz ALHAQCGXSUHZGB-GFCCVEGCSA-N -1 0 390.458 0.105 20 0 GCADRM O=C([O-])[C@H]1CN(C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC001594953854 954968956 /nfs/dbraw/zinc/96/89/56/954968956.db2.gz PSRRSVWEJYUHIM-VQIMIIECSA-N -1 0 378.425 0.936 20 0 GCADRM COC(=O)[C@@]1(N[C@H]2CCN(CC(=O)[O-])C2=O)CCCN(Cc2ccccc2)C1 ZINC001593813593 954974339 /nfs/dbraw/zinc/97/43/39/954974339.db2.gz GLHGMAWHGWPIPD-OXJNMPFZSA-N -1 0 389.452 0.469 20 0 GCADRM COC(=O)C1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCS(=O)(=O)CC1 ZINC001593814707 954989713 /nfs/dbraw/zinc/98/97/13/954989713.db2.gz QECPLOXZMMIOTM-UHFFFAOYSA-N -1 0 385.394 0.000 20 0 GCADRM COC(=O)[C@@]1(N2CCN(C(=O)Nc3ccnc(C(=O)[O-])c3)CC2)CCOC1 ZINC001593814831 954992371 /nfs/dbraw/zinc/99/23/71/954992371.db2.gz UXDYBHRMCSAAPJ-QGZVFWFLSA-N -1 0 378.385 0.261 20 0 GCADRM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 ZINC001594958492 954998641 /nfs/dbraw/zinc/99/86/41/954998641.db2.gz NCUIHSUETQJQHD-CQSZACIVSA-N 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O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1csc(-c2ccccn2)n1 ZINC001594960482 955012481 /nfs/dbraw/zinc/01/24/81/955012481.db2.gz YNSWFJGVFFPLKK-LBPRGKRZSA-N -1 0 381.435 0.458 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)C[C@H]2C(=O)[O-] ZINC001593819183 955015343 /nfs/dbraw/zinc/01/53/43/955015343.db2.gz GCRMDYYVZMZDNO-IHBYNMNLSA-N -1 0 384.392 0.993 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCc3cnc(C)n3C1)C[C@H]2C(=O)[O-] ZINC001593819218 955015353 /nfs/dbraw/zinc/01/53/53/955015353.db2.gz AYVSWLMCADZHFF-CLXDAAKHSA-N -1 0 375.425 0.866 20 0 GCADRM CCC(CC)(CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)[O-] ZINC001589493921 955015361 /nfs/dbraw/zinc/01/53/61/955015361.db2.gz WEXPGKFFCNWTFP-UHFFFAOYSA-N -1 0 377.507 0.686 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3CC1)C[C@H]2C(=O)[O-] ZINC001593819275 955016063 /nfs/dbraw/zinc/01/60/63/955016063.db2.gz CNYKKPWMKXOUBF-HPZFQONSSA-N -1 0 376.413 0.343 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Br)c1F ZINC001594961154 955017532 /nfs/dbraw/zinc/01/75/32/955017532.db2.gz JZFZQUJTVZMRKN-VIFPVBQESA-N -1 0 380.191 0.912 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1nc(F)ccc1Br ZINC001594961418 955018535 /nfs/dbraw/zinc/01/85/35/955018535.db2.gz KYCWQQLJVPEMSP-ZETCQYMHSA-N -1 0 381.179 0.307 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(F)c1Br ZINC001594961899 955020731 /nfs/dbraw/zinc/02/07/31/955020731.db2.gz ODKMORFVVUPYHA-VIFPVBQESA-N -1 0 380.191 0.912 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)o1)C[C@H]2C(=O)[O-] ZINC001593819713 955022078 /nfs/dbraw/zinc/02/20/78/955022078.db2.gz LNXNDHDQWHSRDY-MAXPVNGDSA-N -1 0 385.394 0.409 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1noc2c1CCc1ccccc1-2 ZINC001594962289 955023144 /nfs/dbraw/zinc/02/31/44/955023144.db2.gz QXXASPXMVQJEPS-CYBMUJFWSA-N -1 0 376.390 0.764 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccc(CO)cc1OC)C[C@H]2C(=O)[O-] ZINC001593819886 955023381 /nfs/dbraw/zinc/02/33/81/955023381.db2.gz MIBYOWXYFMJZRS-MMSRSVNZSA-N -1 0 377.393 0.914 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](OC)[C@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001593820334 955028414 /nfs/dbraw/zinc/02/84/14/955028414.db2.gz CLBVSOXFWYLHOO-OSKZGVIDSA-N -1 0 384.429 0.333 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](OC)[C@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001593820332 955028466 /nfs/dbraw/zinc/02/84/66/955028466.db2.gz CLBVSOXFWYLHOO-ITVNAXHUSA-N -1 0 384.429 0.333 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC001594963213 955028543 /nfs/dbraw/zinc/02/85/43/955028543.db2.gz ZAMUNGRZDQWEIZ-CYBMUJFWSA-N -1 0 376.394 0.544 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cccnc1-n1cccn1)C[C@H]2C(=O)[O-] ZINC001593820318 955028868 /nfs/dbraw/zinc/02/88/68/955028868.db2.gz PZJSQYHYKGMOPM-MMSRSVNZSA-N -1 0 384.392 0.993 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](OC)C(=O)[O-])C[C@H]2C(=O)OC(C)(C)C ZINC001593820696 955033515 /nfs/dbraw/zinc/03/35/15/955033515.db2.gz MJKFZEPZPAFUDM-ICBQKXGSSA-N -1 0 385.413 0.456 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCC[C@H]1CC(=O)N(C)C1)C[C@@H]2C(=O)[O-] ZINC001593820735 955033732 /nfs/dbraw/zinc/03/37/32/955033732.db2.gz GBLSUQXWMJULMA-WELLJHPMSA-N -1 0 381.429 0.150 20 0 GCADRM O=C([O-])[C@H]1c2ccccc2CCN1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001594964686 955038700 /nfs/dbraw/zinc/03/87/00/955038700.db2.gz LRZOLTWURPGOCO-OAHLLOKOSA-N -1 0 382.438 0.754 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCc1c[nH]nc1C)C[C@@H]2C(=O)[O-] ZINC001593821130 955038774 /nfs/dbraw/zinc/03/87/74/955038774.db2.gz HNNVXWMGVWQPLU-TXKKKEFDSA-N -1 0 378.429 0.946 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCc1c[nH]nc1C)C[C@H]2C(=O)[O-] ZINC001593821124 955038858 /nfs/dbraw/zinc/03/88/58/955038858.db2.gz HNNVXWMGVWQPLU-FVRSWCFKSA-N -1 0 378.429 0.946 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc2ccccc2s1 ZINC001594964774 955040451 /nfs/dbraw/zinc/04/04/51/955040451.db2.gz HEGFVWJNZGTMNX-JTQLQIEISA-N -1 0 375.449 0.774 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)/C=C(/C)CN1CCOCC1)C[C@@H]2C(=O)[O-] ZINC001593821438 955040639 /nfs/dbraw/zinc/04/06/39/955040639.db2.gz QXXQKAOJCVDNFO-UCKXEXKCSA-N -1 0 380.441 0.377 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001594965178 955043910 /nfs/dbraw/zinc/04/39/10/955043910.db2.gz JONQIYHYXALCHK-ZDUSSCGKSA-N -1 0 388.808 0.743 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCOC[C@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001593821812 955046202 /nfs/dbraw/zinc/04/62/02/955046202.db2.gz OQLUENPCAOWSPU-DWBBHFSCSA-N -1 0 384.429 0.335 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCn1ccnc1C)C[C@@H]2C(=O)[O-] ZINC001593821778 955046884 /nfs/dbraw/zinc/04/68/84/955046884.db2.gz NTBIREITWCOLJI-TXKKKEFDSA-N -1 0 378.429 0.877 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCOC[C@@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001593821814 955047505 /nfs/dbraw/zinc/04/75/05/955047505.db2.gz OQLUENPCAOWSPU-VUULHSHRSA-N -1 0 384.429 0.335 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CCC(=O)c1cnn(C)c1)C[C@H]2C(=O)[O-] ZINC001593821923 955048578 /nfs/dbraw/zinc/04/85/78/955048578.db2.gz XSWNKARJEMANLR-HLZQHVJHSA-N -1 0 377.397 0.495 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C1CCN(C(=O)OC)CC1)C[C@H]2C(=O)[O-] ZINC001593821927 955048659 /nfs/dbraw/zinc/04/86/59/955048659.db2.gz XTZNANYHSLMTNM-XYEKJYRLSA-N -1 0 382.413 0.577 20 0 GCADRM CCC(CC)C(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001589510698 955048772 /nfs/dbraw/zinc/04/87/72/955048772.db2.gz UWAHEUFRNNYRGE-UHFFFAOYSA-N -1 0 375.491 0.608 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)C[C@@H]2C(=O)[O-] ZINC001593821938 955048987 /nfs/dbraw/zinc/04/89/87/955048987.db2.gz YEWLDYWKQNDCKV-JKIHBJTHSA-N -1 0 387.454 0.455 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C1CCN(C(=O)OC)CC1)C[C@@H]2C(=O)[O-] ZINC001593821928 955049169 /nfs/dbraw/zinc/04/91/69/955049169.db2.gz XTZNANYHSLMTNM-YNAXMUEKSA-N -1 0 382.413 0.577 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CN1CCCCCCC1=O)C[C@@H]2C(=O)[O-] ZINC001593822044 955049987 /nfs/dbraw/zinc/04/99/87/955049987.db2.gz SAMRHVJSVAOIMZ-SHYRYGCCSA-N -1 0 380.441 0.892 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCCS(C)(=O)=O)C[C@H]2C(=O)[O-] ZINC001593822011 955050014 /nfs/dbraw/zinc/05/00/14/955050014.db2.gz QZXHTZHEXZYSID-BGMSHATGSA-N -1 0 390.458 0.107 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CN1CCCCCCC1=O)C[C@H]2C(=O)[O-] ZINC001593822043 955050646 /nfs/dbraw/zinc/05/06/46/955050646.db2.gz SAMRHVJSVAOIMZ-BIWSTMPVSA-N -1 0 380.441 0.892 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H](C)Cc1cnn(C)c1)C[C@H]2C(=O)[O-] ZINC001593822230 955051909 /nfs/dbraw/zinc/05/19/09/955051909.db2.gz UNKMUSKWKDRPRG-BTTVTARESA-N -1 0 378.429 0.647 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCCn1ccnc1)C[C@@H]2C(=O)[O-] ZINC001593822270 955052644 /nfs/dbraw/zinc/05/26/44/955052644.db2.gz VRUKXXYUVGQBIU-TXKKKEFDSA-N -1 0 378.429 0.959 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)Cn1ncc3cc(C)cnc31)C[C@@H]2C(=O)[O-] ZINC001593822446 955054451 /nfs/dbraw/zinc/05/44/51/955054451.db2.gz YITVVJVLYIJZPZ-SHYRYGCCSA-N -1 0 386.408 0.852 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@@]1(OC(C)C)CCOC1)C[C@H]2C(=O)[O-] 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384.454 0.702 20 0 GCADRM Cn1cnc2cc(S(=O)(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)ccc21 ZINC001594557717 955779083 /nfs/dbraw/zinc/77/90/83/955779083.db2.gz UXEADHQFUUMKCK-LBPRGKRZSA-N -1 0 380.426 0.317 20 0 GCADRM CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H](C)C(=O)[O-] ZINC000851695619 955805897 /nfs/dbraw/zinc/80/58/97/955805897.db2.gz GUJQRAVSRFYIRK-VOJFVSQTSA-N -1 0 377.397 0.784 20 0 GCADRM CC(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n(C)c1 ZINC000851700158 955811314 /nfs/dbraw/zinc/81/13/14/955811314.db2.gz LAWHVPFMGFCGAQ-JQWIXIFHSA-N -1 0 389.330 0.964 20 0 GCADRM CN(C)c1ccnc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000851700259 955813334 /nfs/dbraw/zinc/81/33/34/955813334.db2.gz AIBJJXRCRVNAHG-PWSUYJOCSA-N -1 0 388.346 0.884 20 0 GCADRM Cn1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC001594563343 955814027 /nfs/dbraw/zinc/81/40/27/955814027.db2.gz RNBNKCBIHJPWGU-AWEZNQCLSA-N -1 0 381.385 0.550 20 0 GCADRM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CN1CCCCC1=O ZINC000851700919 955815494 /nfs/dbraw/zinc/81/54/94/955815494.db2.gz DPALLMOLKBYWNI-BXKDBHETSA-N -1 0 379.335 0.122 20 0 GCADRM COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001593894478 955816143 /nfs/dbraw/zinc/81/61/43/955816143.db2.gz BSQICOPWGINZMC-RTHLEPHNSA-N -1 0 390.801 0.243 20 0 GCADRM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001594563735 955817623 /nfs/dbraw/zinc/81/76/23/955817623.db2.gz HOIBIRODLNDMSU-UHFFFAOYSA-N -1 0 392.437 0.786 20 0 GCADRM Cn1nc(C(=O)[O-])cc1C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC001594563786 955818190 /nfs/dbraw/zinc/81/81/90/955818190.db2.gz HTEOYZXZMBEWPR-UHFFFAOYSA-N -1 0 394.400 0.250 20 0 GCADRM CC(C)CC(=O)NCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851701794 955819072 /nfs/dbraw/zinc/81/90/72/955819072.db2.gz IOAOYEAGSTWUTM-ZWNOBZJWSA-N -1 0 395.378 0.662 20 0 GCADRM COC(=O)c1nc(CNC(=O)c2cccn(CC(=O)[O-])c2=O)ccc1Cl ZINC001593895501 955821975 /nfs/dbraw/zinc/82/19/75/955821975.db2.gz PXXAKLWDIHZWFG-UHFFFAOYSA-N -1 0 379.756 0.698 20 0 GCADRM CCS(=O)(=O)C1(CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000851703102 955823451 /nfs/dbraw/zinc/82/34/51/955823451.db2.gz NPTJPIGZPNBOSM-AWEZNQCLSA-N -1 0 379.438 0.789 20 0 GCADRM CCOCCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704065 955827419 /nfs/dbraw/zinc/82/74/19/955827419.db2.gz RXCMKUGACLDLPT-MXWKQRLJSA-N -1 0 384.351 0.551 20 0 GCADRM CCN(CC)C(=O)CCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000851704135 955827466 /nfs/dbraw/zinc/82/74/66/955827466.db2.gz SSWHKALPVRWRCB-ZWNOBZJWSA-N -1 0 395.378 0.758 20 0 GCADRM COC(=O)c1ncccc1S(=O)(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001593897708 955838870 /nfs/dbraw/zinc/83/88/70/955838870.db2.gz KFMOUGVGATYNEF-NOEPWBJOSA-N -1 0 384.410 0.559 20 0 GCADRM Cn1nc(C(=O)[O-])cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC001594565686 955843733 /nfs/dbraw/zinc/84/37/33/955843733.db2.gz MCHCGLRQKJBPAN-LLVKDONJSA-N -1 0 382.417 0.874 20 0 GCADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NC(C1CC1)C1CC1 ZINC000852737176 955850995 /nfs/dbraw/zinc/85/09/95/955850995.db2.gz RCQGFTFRNRWOIX-FZMZJTMJSA-N -1 0 391.390 0.887 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001593901623 955875078 /nfs/dbraw/zinc/87/50/78/955875078.db2.gz CKJZHEQTSKJISU-DYEKYZERSA-N -1 0 381.429 0.794 20 0 GCADRM CC(=O)NCCCCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852957316 955885873 /nfs/dbraw/zinc/88/58/73/955885873.db2.gz NXNMRMOVXDQASP-DGCLKSJQSA-N -1 0 395.378 0.806 20 0 GCADRM CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000852957465 955887963 /nfs/dbraw/zinc/88/79/63/955887963.db2.gz PPTXSECITXISJW-ZBFHGGJFSA-N -1 0 387.440 0.920 20 0 GCADRM CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852958270 955891395 /nfs/dbraw/zinc/89/13/95/955891395.db2.gz HZHZVHXPWCCHMM-LPEHRKFASA-N -1 0 396.366 0.336 20 0 GCADRM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000852958586 955893966 /nfs/dbraw/zinc/89/39/66/955893966.db2.gz OFAAJLHBWMVMFZ-FZMZJTMJSA-N -1 0 398.341 1.000 20 0 GCADRM C[C@H](N1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1)C(F)(F)F ZINC001589084945 955893854 /nfs/dbraw/zinc/89/38/54/955893854.db2.gz MZBQWFFSNJEROM-RYUDHWBXSA-N -1 0 394.394 0.730 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001593905147 955902381 /nfs/dbraw/zinc/90/23/81/955902381.db2.gz FBZLOMUHFONCLC-QWRGUYRKSA-N -1 0 376.287 0.684 20 0 GCADRM CCOC(=O)N1CCN(S(=O)(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000853024500 955902882 /nfs/dbraw/zinc/90/28/82/955902882.db2.gz LLLCSXWVXLBJPT-HNNXBMFYSA-N -1 0 397.453 0.689 20 0 GCADRM Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594575712 955915523 /nfs/dbraw/zinc/91/55/23/955915523.db2.gz IUJIBLIHMCXUAS-SECBINFHSA-N -1 0 378.332 0.808 20 0 GCADRM CCOC(=O)C1=CC[C@@H](NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)C1 ZINC000861468818 955917102 /nfs/dbraw/zinc/91/71/02/955917102.db2.gz UZYLQGALOCMNTJ-ZIAGYGMSSA-N -1 0 393.440 0.745 20 0 GCADRM Cn1nc(C2CC2)cc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594576223 955920224 /nfs/dbraw/zinc/92/02/24/955920224.db2.gz XIFUQRQERYTSHS-LBPRGKRZSA-N -1 0 396.469 0.384 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)NCC(=O)Nc1ccc(I)cc1 ZINC001593906987 955931727 /nfs/dbraw/zinc/93/17/27/955931727.db2.gz NHZVCWUPIRUPLX-JTQLQIEISA-N -1 0 392.149 0.446 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC001593907064 955932587 /nfs/dbraw/zinc/93/25/87/955932587.db2.gz QGKPQJFQARPUBA-UFBFGSQYSA-N -1 0 378.194 0.955 20 0 GCADRM Cn1ncc(Br)c1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594578502 955942229 /nfs/dbraw/zinc/94/22/29/955942229.db2.gz SDNXZNCSTBCJLM-VIFPVBQESA-N -1 0 399.245 0.720 20 0 GCADRM Cn1ncc(C(=O)[O-])c1CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001594581160 955970913 /nfs/dbraw/zinc/97/09/13/955970913.db2.gz LXIACBFNSFXGEQ-LBPRGKRZSA-N -1 0 384.392 0.615 20 0 GCADRM C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589096023 955986687 /nfs/dbraw/zinc/98/66/87/955986687.db2.gz PLNUWRMERKCMRD-LEWSCRJBSA-N -1 0 384.454 0.964 20 0 GCADRM C[C@H]([C@H](C)NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)N1CCOCC1 ZINC001589101492 956000022 /nfs/dbraw/zinc/00/00/22/956000022.db2.gz JVIHKIMUZAMGRN-RRFJBIMHSA-N -1 0 396.488 0.203 20 0 GCADRM C[C@H](NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)c1nnc2n1CCC2 ZINC001589101738 956004291 /nfs/dbraw/zinc/00/42/91/956004291.db2.gz TVYHZBZFIVWEON-NWDGAFQWSA-N -1 0 390.444 0.392 20 0 GCADRM Cn1ncc2c1CC(C)(C)CN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C2 ZINC001594586743 956005643 /nfs/dbraw/zinc/00/56/43/956005643.db2.gz XXKOMAUFQGWGJW-UHFFFAOYSA-N -1 0 383.470 0.611 20 0 GCADRM C[C@H](NC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)c1nncn1C ZINC001589101971 956007405 /nfs/dbraw/zinc/00/74/05/956007405.db2.gz CJUWUGHNLUYRAJ-UBHSHLNASA-N -1 0 386.412 0.602 20 0 GCADRM Cn1nccc1[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC001594587030 956008087 /nfs/dbraw/zinc/00/80/87/956008087.db2.gz CZRVCTIINXJPHZ-ZOWXZIJZSA-N -1 0 387.314 0.473 20 0 GCADRM Cn1nccc1[C@H](NC(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001594587649 956014732 /nfs/dbraw/zinc/01/47/32/956014732.db2.gz KINGMZGFTAAMCZ-QWHCGFSZSA-N -1 0 390.400 0.877 20 0 GCADRM Cn1nccc1[C@H](NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594587982 956016638 /nfs/dbraw/zinc/01/66/38/956016638.db2.gz AMMQGQOOPRTTOZ-HNNXBMFYSA-N -1 0 395.460 0.651 20 0 GCADRM Cn1nccc1[C@H](NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001594588850 956027963 /nfs/dbraw/zinc/02/79/63/956027963.db2.gz KOVBIYPGYVQPDC-FZMZJTMJSA-N -1 0 382.417 0.688 20 0 GCADRM Cn1nccc1[C@H](NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC001594589055 956030248 /nfs/dbraw/zinc/03/02/48/956030248.db2.gz OPIKAMMQFQJFJC-CKDIWJPDSA-N -1 0 392.437 0.642 20 0 GCADRM Cn1nccc1[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC001594589056 956030813 /nfs/dbraw/zinc/03/08/13/956030813.db2.gz OPIKAMMQFQJFJC-HMWXGYMHSA-N -1 0 392.437 0.642 20 0 GCADRM CCn1cc(Br)cc1C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000387915568 972147902 /nfs/dbraw/zinc/14/79/02/972147902.db2.gz WTABSHJFLAVINI-SNVBAGLBSA-N -1 0 393.259 0.984 20 0 GCADRM Cn1nccc1[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)C(=O)[O-] ZINC001594589313 956035794 /nfs/dbraw/zinc/03/57/94/956035794.db2.gz UAZNBDJXYKJTKG-ACJLOTCBSA-N -1 0 391.428 0.553 20 0 GCADRM Cn1nccc1[C@@H](NC(=O)Nc1ccccc1CN1C(=O)CNC1=O)C(=O)[O-] ZINC001594589779 956042319 /nfs/dbraw/zinc/04/23/19/956042319.db2.gz SKJRQNYEZCJNHQ-CQSZACIVSA-N -1 0 386.368 0.419 20 0 GCADRM Cn1nccc1[C@@H](NCC(=O)NCc1ccccc1CN1CCCC1=O)C(=O)[O-] ZINC001594590230 956050664 /nfs/dbraw/zinc/05/06/64/956050664.db2.gz HKYSMETVSONIAY-LJQANCHMSA-N -1 0 399.451 0.574 20 0 GCADRM Cn1nccc1[C@H](NC(=O)c1[nH]ncc1I)C(=O)[O-] ZINC001594590422 956052500 /nfs/dbraw/zinc/05/25/00/956052500.db2.gz NXCFFBFZZSWBMI-QMMMGPOBSA-N -1 0 375.126 0.304 20 0 GCADRM Cn1nccc1[C@H](NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001594590764 956059597 /nfs/dbraw/zinc/05/95/97/956059597.db2.gz ZKGCCVNMZDHKLC-HNNXBMFYSA-N -1 0 381.339 0.169 20 0 GCADRM Cn1nccc1[C@H](O)C1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594592852 956063756 /nfs/dbraw/zinc/06/37/56/956063756.db2.gz LDLOVBAVVNIGIY-XJKSGUPXSA-N -1 0 378.429 0.015 20 0 GCADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001594592849 956064726 /nfs/dbraw/zinc/06/47/26/956064726.db2.gz LDLOVBAVVNIGIY-BBRMVZONSA-N -1 0 378.429 0.015 20 0 GCADRM Cn1nccc1CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC001594596994 956102227 /nfs/dbraw/zinc/10/22/27/956102227.db2.gz OSANUXPBJASOLW-GOSISDBHSA-N -1 0 396.451 0.784 20 0 GCADRM CO[C@](C)(C(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC001593926017 956127396 /nfs/dbraw/zinc/12/73/96/956127396.db2.gz TYVKZGOGIJEAGN-ZDUSSCGKSA-N -1 0 399.252 0.878 20 0 GCADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC001593932152 956194123 /nfs/dbraw/zinc/19/41/23/956194123.db2.gz UGCPLMICKXMBBH-KRWDZBQOSA-N -1 0 399.469 0.441 20 0 GCADRM C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1Cc1ccccc1 ZINC001589131865 956204124 /nfs/dbraw/zinc/20/41/24/956204124.db2.gz FJGMFTKLAQYQPT-OCCSQVGLSA-N -1 0 393.469 0.848 20 0 GCADRM C[C@@](O)(CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)C(=O)[O-] ZINC001589138309 956244949 /nfs/dbraw/zinc/24/49/49/956244949.db2.gz NLNXDXBUYUASPT-RXEWJAMOSA-N -1 0 383.364 0.883 20 0 GCADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589138962 956255161 /nfs/dbraw/zinc/25/51/61/956255161.db2.gz WZLOGHMTBYZVEK-MRXNPFEDSA-N -1 0 376.369 0.334 20 0 GCADRM CO[C@H](CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[C@H]1CCOC1 ZINC001593938939 956256565 /nfs/dbraw/zinc/25/65/65/956256565.db2.gz QKHCVBQWVNEUNW-GZBFAFLISA-N -1 0 383.445 0.145 20 0 GCADRM CO[C@H](CS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C1CCCCC1 ZINC001593942011 956286053 /nfs/dbraw/zinc/28/60/53/956286053.db2.gz VVMJFKPOCALZHJ-LSDHHAIUSA-N -1 0 390.502 0.967 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589146130 956288001 /nfs/dbraw/zinc/28/80/01/956288001.db2.gz DKXODLGHGAHSHZ-MIZYBKAJSA-N -1 0 376.456 0.145 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589146328 956290037 /nfs/dbraw/zinc/29/00/37/956290037.db2.gz GCDVQIJRUZUPKC-COPLHBTASA-N -1 0 390.483 0.489 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589146341 956290175 /nfs/dbraw/zinc/29/01/75/956290175.db2.gz GGLCKEWLTIYGIO-HHISKICNSA-N -1 0 390.483 0.535 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001589146331 956290268 /nfs/dbraw/zinc/29/02/68/956290268.db2.gz GCDVQIJRUZUPKC-MISXGVKJSA-N -1 0 390.483 0.489 20 0 GCADRM CO[C@]1(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCS(=O)(=O)C1 ZINC001593943442 956299325 /nfs/dbraw/zinc/29/93/25/956299325.db2.gz HQQKQSVSDRVRIG-PBHICJAKSA-N -1 0 382.438 0.584 20 0 GCADRM COC(OC)C(=O)N1CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593944396 956313891 /nfs/dbraw/zinc/31/38/91/956313891.db2.gz HCIKWHUYGCWHDJ-CQSZACIVSA-N -1 0 395.456 0.844 20 0 GCADRM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001589151775 956324886 /nfs/dbraw/zinc/32/48/86/956324886.db2.gz BUQYEABOJZPNJI-GFCCVEGCSA-N -1 0 386.470 0.919 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001589151776 956326194 /nfs/dbraw/zinc/32/61/94/956326194.db2.gz BUQYEABOJZPNJI-LBPRGKRZSA-N -1 0 386.470 0.919 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001589152723 956341272 /nfs/dbraw/zinc/34/12/72/956341272.db2.gz SKVWNVKRZDPQGI-STQMWFEESA-N -1 0 384.454 0.673 20 0 GCADRM COC1(c2nccn2C)CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 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395.437 0.743 20 0 GCADRM Cc1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C(=O)N1CCOCC1 ZINC001594371285 958545079 /nfs/dbraw/zinc/54/50/79/958545079.db2.gz VMXDSNUSALFWJQ-OAHLLOKOSA-N -1 0 377.397 0.785 20 0 GCADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1S(=O)(=O)N(C)C ZINC001594371278 958545108 /nfs/dbraw/zinc/54/51/08/958545108.db2.gz UXKAFEIERBESEB-AWEZNQCLSA-N -1 0 395.441 0.926 20 0 GCADRM CC(=O)N(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001573344875 958550801 /nfs/dbraw/zinc/55/08/01/958550801.db2.gz XMMYJEGMZGUWJX-UHFFFAOYSA-N -1 0 382.438 0.565 20 0 GCADRM CC(=O)NCCN(C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC001573348072 958552352 /nfs/dbraw/zinc/55/23/52/958552352.db2.gz BPDPQVRXKKWHNF-LBPRGKRZSA-N -1 0 383.445 0.991 20 0 GCADRM CC(=O)NCCN(C(=O)c1nn2c(c1Br)CCC2)[C@@H](C)C(=O)[O-] ZINC001573349753 958562378 /nfs/dbraw/zinc/56/23/78/958562378.db2.gz WCHFUVNEAXOPBY-QMMMGPOBSA-N -1 0 387.234 0.643 20 0 GCADRM 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958772041 /nfs/dbraw/zinc/77/20/41/958772041.db2.gz UBUDVGKKTBWGDV-WBVHZDCISA-N -1 0 390.484 0.540 20 0 GCADRM O=C([O-])[C@@]1(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CCOC1 ZINC001605736100 972375940 /nfs/dbraw/zinc/37/59/40/972375940.db2.gz DNHSGAPPPHQCNZ-GOSISDBHSA-N -1 0 381.404 0.543 20 0 GCADRM COc1ccccc1S(=O)(=O)CCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594150669 958791276 /nfs/dbraw/zinc/79/12/76/958791276.db2.gz KQUWWIVXZCWHRV-LBPRGKRZSA-N -1 0 391.467 0.043 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)[C@@H]2C1 ZINC001573433999 958796132 /nfs/dbraw/zinc/79/61/32/958796132.db2.gz GXSPWWDJPAXBKR-SYQHCUMBSA-N -1 0 395.456 0.539 20 0 GCADRM CC(=O)NCCN(Cc1ccsc1)C(=O)c1cccn(CC(=O)[O-])c1=O ZINC001588515218 958796251 /nfs/dbraw/zinc/79/62/51/958796251.db2.gz ZABLORVHZKDHLS-UHFFFAOYSA-N -1 0 377.422 0.773 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001573437131 958812874 /nfs/dbraw/zinc/81/28/74/958812874.db2.gz 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CC(=O)Nc1cccc(-n2nnnc2SCCS(=O)(=O)CC(=O)[O-])c1 ZINC001588520982 958841709 /nfs/dbraw/zinc/84/17/09/958841709.db2.gz SGAHMDUTQVTPLQ-UHFFFAOYSA-N -1 0 385.427 0.212 20 0 GCADRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001573448037 958847706 /nfs/dbraw/zinc/84/77/06/958847706.db2.gz RMFNXEIXDANXHS-UHFFFAOYSA-N -1 0 387.433 0.110 20 0 GCADRM CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@]2(C(=O)[O-])CCOC2)C1=O ZINC001573448272 958851653 /nfs/dbraw/zinc/85/16/53/958851653.db2.gz TWBXHSMTHNFYIJ-KZULUSFZSA-N -1 0 399.444 0.110 20 0 GCADRM CS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000391852024 972382632 /nfs/dbraw/zinc/38/26/32/972382632.db2.gz RDDBNFINOVUSNG-UHFFFAOYSA-N -1 0 376.456 0.228 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccnc(C(=O)[O-])c2)C(=O)C1 ZINC001573450065 958868871 /nfs/dbraw/zinc/86/88/71/958868871.db2.gz ARMMGXGGSWHDGU-UHFFFAOYSA-N -1 0 378.385 0.798 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC001573450166 958872688 /nfs/dbraw/zinc/87/26/88/958872688.db2.gz DSDAXCXLDVNPCH-SFHVURJKSA-N -1 0 393.396 0.815 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)NCCCCC(=O)[O-])C1 ZINC001573450670 958874452 /nfs/dbraw/zinc/87/44/52/958874452.db2.gz HGXFSZNXDQYQNR-GFCCVEGCSA-N -1 0 380.463 0.797 20 0 GCADRM COc1nn2cc(Br)cnc2c1S(=O)(=O)N(C)CC(=O)[O-] ZINC001594160813 958888422 /nfs/dbraw/zinc/88/84/22/958888422.db2.gz BTBVJMIDXRLFLD-UHFFFAOYSA-N -1 0 379.192 0.206 20 0 GCADRM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001588531608 958900981 /nfs/dbraw/zinc/90/09/81/958900981.db2.gz IQBMIBIRKSRCKQ-NHYWBVRUSA-N -1 0 382.438 0.737 20 0 GCADRM CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573457994 958911584 /nfs/dbraw/zinc/91/15/84/958911584.db2.gz OGVNMWUPGHVBNF-GFCCVEGCSA-N -1 0 385.461 0.278 20 0 GCADRM Cc1cccc(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1S(C)(=O)=O ZINC001594407668 958911509 /nfs/dbraw/zinc/91/15/09/958911509.db2.gz GMUYOXQERKMOIO-ZDUSSCGKSA-N -1 0 397.453 0.986 20 0 GCADRM Cc1cccc(C[C@H](CO)NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001594407811 958912486 /nfs/dbraw/zinc/91/24/86/958912486.db2.gz BTJUZFVVSBLPTJ-HZPDHXFCSA-N -1 0 377.441 0.663 20 0 GCADRM CS(=O)(=O)C[C@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594164590 958941734 /nfs/dbraw/zinc/94/17/34/958941734.db2.gz ZXZHTJRKTWUTQP-MRVPVSSYSA-N -1 0 395.231 0.674 20 0 GCADRM CS(=O)(=O)Cc1ccccc1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594167681 958957340 /nfs/dbraw/zinc/95/73/40/958957340.db2.gz FCUVTKDWVPVSNO-UHFFFAOYSA-N -1 0 378.406 0.408 20 0 GCADRM CS(=O)(=O)CCOCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594168471 958964158 /nfs/dbraw/zinc/96/41/58/958964158.db2.gz KGVDMGWXOLCIBA-LSDHHAIUSA-N -1 0 384.454 0.557 20 0 GCADRM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594168575 958965242 /nfs/dbraw/zinc/96/52/42/958965242.db2.gz PXQOCIPGOLJEBJ-UHFFFAOYSA-N -1 0 382.369 0.869 20 0 GCADRM CS(=O)(=O)NCc1ccc(NC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC001594169407 958973074 /nfs/dbraw/zinc/97/30/74/958973074.db2.gz LUZHTUXZPXBGFU-OAHLLOKOSA-N -1 0 392.437 0.948 20 0 GCADRM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594170523 958993320 /nfs/dbraw/zinc/99/33/20/958993320.db2.gz PAHVIDFXPJSFOF-MELADBBJSA-N -1 0 375.491 0.991 20 0 GCADRM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001588546614 958999433 /nfs/dbraw/zinc/99/94/33/958999433.db2.gz CAGSICOGWVCRDT-GFCCVEGCSA-N -1 0 383.445 0.777 20 0 GCADRM CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)CC2)cc1 ZINC001594171178 959001060 /nfs/dbraw/zinc/00/10/60/959001060.db2.gz HBZUFEIZQOUGCS-QGZVFWFLSA-N -1 0 397.453 0.341 20 0 GCADRM CS(=O)(=O)[C@H]1CN(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)C[C@@H]1C(F)(F)F ZINC001594171139 959001522 /nfs/dbraw/zinc/00/15/22/959001522.db2.gz DYTIATQIKJQSPP-ZNSHCXBVSA-N -1 0 387.376 0.690 20 0 GCADRM CS(=O)(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001594171533 959004094 /nfs/dbraw/zinc/00/40/94/959004094.db2.gz PGOZTHUGLWCCST-UHFFFAOYSA-N -1 0 390.439 0.276 20 0 GCADRM CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001594173288 959014844 /nfs/dbraw/zinc/01/48/44/959014844.db2.gz DJZLDNPZQIWUBV-AWEZNQCLSA-N -1 0 376.818 0.515 20 0 GCADRM Cc1ccccc1CN1CCO[C@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594417871 959025120 /nfs/dbraw/zinc/02/51/20/959025120.db2.gz ADDQEAGWLIYLJR-QGZVFWFLSA-N -1 0 399.447 0.872 20 0 GCADRM CS(=O)(=O)c1ccc([C@H]2CN(C(=O)c3cc(C(=O)[O-])n[nH]3)CCO2)cc1 ZINC001594174296 959025650 /nfs/dbraw/zinc/02/56/50/959025650.db2.gz IHUSMTXFYKUYFY-CQSZACIVSA-N -1 0 379.394 0.725 20 0 GCADRM Cc1ccccc1CN1CCO[C@@H](CNC(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001594417870 959026004 /nfs/dbraw/zinc/02/60/04/959026004.db2.gz ADDQEAGWLIYLJR-KRWDZBQOSA-N -1 0 399.447 0.872 20 0 GCADRM Cc1ccccc1C[C@@H](CO)NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594417933 959026613 /nfs/dbraw/zinc/02/66/13/959026613.db2.gz VQWOZUVXVUCZCR-JKSUJKDBSA-N -1 0 377.441 0.663 20 0 GCADRM Cc1ccccc1C[C@@H](CO)NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594417929 959026631 /nfs/dbraw/zinc/02/66/31/959026631.db2.gz VQWOZUVXVUCZCR-HOTGVXAUSA-N -1 0 377.441 0.663 20 0 GCADRM CS(=O)(=O)c1ccc([C@H]2CN(C(=O)[C@H]3CC(C(=O)[O-])=NO3)CCO2)cc1 ZINC001594174794 959033033 /nfs/dbraw/zinc/03/30/33/959033033.db2.gz PTGHANCXVLMWSV-ZIAGYGMSSA-N -1 0 382.394 0.220 20 0 GCADRM CS(=O)(=O)c1ccc(OCCCN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1 ZINC001594174979 959035592 /nfs/dbraw/zinc/03/55/92/959035592.db2.gz ZTPBBXQQRMSPED-CQSZACIVSA-N -1 0 391.467 0.043 20 0 GCADRM CS(=O)(=O)c1ccccc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594175864 959040331 /nfs/dbraw/zinc/04/03/31/959040331.db2.gz CBWMTXHHWCVRFU-UHFFFAOYSA-N -1 0 376.456 0.221 20 0 GCADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001588553539 959041586 /nfs/dbraw/zinc/04/15/86/959041586.db2.gz GXWHDSGYWSVCMX-GFCCVEGCSA-N -1 0 383.445 0.825 20 0 GCADRM C[C@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001588554042 959043840 /nfs/dbraw/zinc/04/38/40/959043840.db2.gz LOFUTRFLJPOIME-WFASDCNBSA-N -1 0 396.465 0.776 20 0 GCADRM CS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594176466 959045854 /nfs/dbraw/zinc/04/58/54/959045854.db2.gz WYFCXVPAUXQJGE-CYBMUJFWSA-N -1 0 382.438 0.215 20 0 GCADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001588565873 959147175 /nfs/dbraw/zinc/14/71/75/959147175.db2.gz PYLIAXYOWXRIRL-STQMWFEESA-N -1 0 383.445 0.777 20 0 GCADRM CC(C)Oc1ccc([C@H](O)CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001573555063 959253482 /nfs/dbraw/zinc/25/34/82/959253482.db2.gz XDPYMUPXZKXMCG-OAHLLOKOSA-N -1 0 399.465 0.903 20 0 GCADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573558454 959260270 /nfs/dbraw/zinc/26/02/70/959260270.db2.gz MYQALHVDKOVWQR-JSGCOSHPSA-N -1 0 384.477 0.691 20 0 GCADRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001573558456 959261091 /nfs/dbraw/zinc/26/10/91/959261091.db2.gz MYQALHVDKOVWQR-OCCSQVGLSA-N -1 0 384.477 0.691 20 0 GCADRM CC(C)[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(=O)[O-] ZINC001573558470 959262912 /nfs/dbraw/zinc/26/29/12/959262912.db2.gz MYTVBLWNOIVRAD-CQSZACIVSA-N -1 0 399.473 0.394 20 0 GCADRM Cc1nc(-c2cccc(NC(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)c2)n[nH]1 ZINC001594443848 959312057 /nfs/dbraw/zinc/31/20/57/959312057.db2.gz XMJRFFRQBBTFAD-UHFFFAOYSA-N -1 0 378.410 0.998 20 0 GCADRM C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573574219 959316282 /nfs/dbraw/zinc/31/62/82/959316282.db2.gz NHFFCCKSSTZGGT-UKRRQHHQSA-N -1 0 376.409 0.948 20 0 GCADRM C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000167102690 959335198 /nfs/dbraw/zinc/33/51/98/959335198.db2.gz HBAHCHKMBFJKEJ-NKWVEPMBSA-N -1 0 384.204 0.511 20 0 GCADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001588592952 959361155 /nfs/dbraw/zinc/36/11/55/959361155.db2.gz QZVTYGONTXJQTN-SNVBAGLBSA-N -1 0 388.467 0.754 20 0 GCADRM Cc1nc(N2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)sc1C ZINC001594457124 959430478 /nfs/dbraw/zinc/43/04/78/959430478.db2.gz XYTJBBAIOFTKKZ-UHFFFAOYSA-N -1 0 388.515 0.923 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC001594227722 959442605 /nfs/dbraw/zinc/44/26/05/959442605.db2.gz IFVCYBPCXWQLGX-PXAZEXFGSA-N -1 0 381.454 0.672 20 0 GCADRM C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573615447 959490848 /nfs/dbraw/zinc/49/08/48/959490848.db2.gz CCJBPLLGQLJUCP-MROQNXINSA-N -1 0 376.475 0.313 20 0 GCADRM C[C@H](NC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)NCc1ccccc1 ZINC001573616979 959498257 /nfs/dbraw/zinc/49/82/57/959498257.db2.gz RLOXVVFJECLZBW-DZGCQCFKSA-N -1 0 390.440 0.456 20 0 GCADRM Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1C(=O)[O-] ZINC000392263230 972435414 /nfs/dbraw/zinc/43/54/14/972435414.db2.gz JXUJRUDZURHBLT-NSHDSACASA-N -1 0 394.471 0.545 20 0 GCADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000392266376 972436013 /nfs/dbraw/zinc/43/60/13/972436013.db2.gz XHOLAPZFPYXGJX-LBPRGKRZSA-N -1 0 391.467 0.738 20 0 GCADRM C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)[O-] ZINC001594241023 959534853 /nfs/dbraw/zinc/53/48/53/959534853.db2.gz RSIAMTVLIZPTMV-GXTWGEPZSA-N -1 0 386.426 0.417 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCC(CN3CCNC3=O)CC2)n1 ZINC001588623397 959554718 /nfs/dbraw/zinc/55/47/18/959554718.db2.gz LXCXCUWAPPWNTI-UHFFFAOYSA-N -1 0 378.433 0.972 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)n1 ZINC001588623404 959555380 /nfs/dbraw/zinc/55/53/80/959555380.db2.gz MCEMVHOLVRWOBG-UHFFFAOYSA-N -1 0 399.473 0.735 20 0 GCADRM C[C@@H]1CN(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC001594245262 959558971 /nfs/dbraw/zinc/55/89/71/959558971.db2.gz IJAGJZRCJNKYLC-VLEAKVRGSA-N -1 0 381.351 0.812 20 0 GCADRM C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN1S(C)(=O)=O ZINC001594245498 959563583 /nfs/dbraw/zinc/56/35/83/959563583.db2.gz SZIUEYOHKYUOQS-CQDKDKBSSA-N -1 0 381.454 0.975 20 0 GCADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594247856 959596510 /nfs/dbraw/zinc/59/65/10/959596510.db2.gz OSTHUJYNWJLGHI-NSHDSACASA-N -1 0 392.412 0.053 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001573637201 959603921 /nfs/dbraw/zinc/60/39/21/959603921.db2.gz ZLVPOXXXEVGOBT-SLEUVZQESA-N -1 0 384.454 0.529 20 0 GCADRM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594480543 959624768 /nfs/dbraw/zinc/62/47/68/959624768.db2.gz PVQSIWNORWPLGW-GFCCVEGCSA-N -1 0 376.413 0.144 20 0 GCADRM Cc1n[nH]cc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001594253663 959633970 /nfs/dbraw/zinc/63/39/70/959633970.db2.gz GNVOPRNWKSPWSA-OCCSQVGLSA-N -1 0 378.410 0.423 20 0 GCADRM Cc1c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cnn1CCO[C@H]1CCCCO1 ZINC001594256486 959650238 /nfs/dbraw/zinc/65/02/38/959650238.db2.gz FJWGIXVGULHVAT-HNNXBMFYSA-N -1 0 394.428 0.104 20 0 GCADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccccc1C(=O)[O-] ZINC001594483661 959652078 /nfs/dbraw/zinc/65/20/78/959652078.db2.gz YIAHMVKZZDKXCJ-NSHDSACASA-N -1 0 394.453 0.718 20 0 GCADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC001588638180 959668037 /nfs/dbraw/zinc/66/80/37/959668037.db2.gz FBFIQXFWMMNOQJ-BFHYXJOUSA-N -1 0 390.440 0.612 20 0 GCADRM Cc1nn(CCS(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(=O)o1 ZINC001594489014 959676453 /nfs/dbraw/zinc/67/64/53/959676453.db2.gz NATREIDNTOTJCY-UONOGXRCSA-N -1 0 381.410 0.275 20 0 GCADRM Cc1c(CC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)nnn1-c1ccccc1 ZINC001594259204 959679452 /nfs/dbraw/zinc/67/94/52/959679452.db2.gz IIAPTITXFHURQP-OAHLLOKOSA-N -1 0 385.424 0.700 20 0 GCADRM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588640394 959684653 /nfs/dbraw/zinc/68/46/53/959684653.db2.gz XRJWALKQFGUAHG-YZUGKSJVSA-N -1 0 376.475 0.479 20 0 GCADRM Cc1nnc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n1[C@H]1CCC[C@@H](C)C1 ZINC001594494621 959738563 /nfs/dbraw/zinc/73/85/63/959738563.db2.gz JWWZKNDZDHJDPP-PWSUYJOCSA-N -1 0 393.487 0.611 20 0 GCADRM Cc1c(NC(=O)c2cccn(CC(=O)[O-])c2=O)c(=O)n(-c2ccccc2)n1C ZINC001594267213 959749397 /nfs/dbraw/zinc/74/93/97/959749397.db2.gz RXYWEILGERSSKA-UHFFFAOYSA-N -1 0 382.376 0.983 20 0 GCADRM C[C@@]1(c2cccc(NC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)c2)NC(=O)NC1=O ZINC001573689318 959754881 /nfs/dbraw/zinc/75/48/81/959754881.db2.gz HBVDTZLJINYLBY-XIKOKIGWSA-N -1 0 388.380 0.003 20 0 GCADRM Cc1c[nH]c(=O)c(CNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC001594267877 959756049 /nfs/dbraw/zinc/75/60/49/959756049.db2.gz QRXSZANIOFKVMF-GOSISDBHSA-N -1 0 395.412 0.803 20 0 GCADRM CCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000217893755 959780835 /nfs/dbraw/zinc/78/08/35/959780835.db2.gz KEURFZROSFTZSM-UHFFFAOYSA-N -1 0 379.232 0.904 20 0 GCADRM Cc1cc(=O)[nH]c(N2CCC[C@@H](NC(=O)C3(CC(=O)[O-])CCOCC3)C2)n1 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CC[C@H](CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)[O-] ZINC001595140288 979600033 /nfs/dbraw/zinc/60/00/33/979600033.db2.gz KSWVWMMIZPAARV-NEPJUHHUSA-N -1 0 392.474 0.638 20 0 GCADRM CCc1nc(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cn1CC1CC1 ZINC000853231433 979602849 /nfs/dbraw/zinc/60/28/49/979602849.db2.gz VXDSOABBHGZZDH-SUMWQHHRSA-N -1 0 383.470 0.967 20 0 GCADRM CC[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)[O-] ZINC001595144463 979608497 /nfs/dbraw/zinc/60/84/97/979608497.db2.gz OHNDURPTKAKYGO-BBATYDOGSA-N -1 0 377.397 0.689 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)CNC(=O)c1ncccc1O)C(=O)[O-] ZINC001592846520 979619502 /nfs/dbraw/zinc/61/95/02/979619502.db2.gz OFEPCGQIWGVURO-GOSISDBHSA-N -1 0 375.356 0.858 20 0 GCADRM CC[C@](CNC(=O)N1CCC[C@H](S(N)(=O)=O)C1)(C(=O)[O-])c1ccccc1 ZINC001595146609 979621294 /nfs/dbraw/zinc/62/12/94/979621294.db2.gz GTADCHTYZHWAHU-WMLDXEAASA-N -1 0 383.470 0.882 20 0 GCADRM Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 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C[C@](Cn1cccn1)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)[O-] ZINC001592915946 979887237 /nfs/dbraw/zinc/88/72/37/979887237.db2.gz ACRBIDKWLJZGND-CQSZACIVSA-N -1 0 383.202 0.467 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CNC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC001592916798 979892181 /nfs/dbraw/zinc/89/21/81/979892181.db2.gz IZMJYAWZURQLBK-QGZVFWFLSA-N -1 0 393.831 0.995 20 0 GCADRM CC[C@@](COC)(NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)C(=O)[O-] ZINC001595193911 979894404 /nfs/dbraw/zinc/89/44/04/979894404.db2.gz KIDARXGGRYWLMW-KRWDZBQOSA-N -1 0 376.369 0.442 20 0 GCADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 ZINC000864210619 979895415 /nfs/dbraw/zinc/89/54/15/979895415.db2.gz YXSKIJQCSBZVNZ-GLJUWKHASA-N -1 0 394.449 0.691 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC001592917756 979896081 /nfs/dbraw/zinc/89/60/81/979896081.db2.gz TZTJVKARFCGHRS-RDTXWAMCSA-N -1 0 377.445 0.770 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCNC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC001592917707 979896202 /nfs/dbraw/zinc/89/62/02/979896202.db2.gz RQPPPNBOENUBBA-GOSISDBHSA-N -1 0 384.396 0.539 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000864212291 979897537 /nfs/dbraw/zinc/89/75/37/979897537.db2.gz CSYLZCQFMVMASU-PSTGCABASA-N -1 0 390.392 0.417 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199577 979942335 /nfs/dbraw/zinc/94/23/35/979942335.db2.gz KUAXPXFZYBLKDS-SHACYNPGSA-N -1 0 393.487 0.704 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592926041 979946308 /nfs/dbraw/zinc/94/63/08/979946308.db2.gz NHCUFSWTRIXHFV-CQSZACIVSA-N -1 0 387.439 0.108 20 0 GCADRM C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001592929145 979954007 /nfs/dbraw/zinc/95/40/07/979954007.db2.gz CVKVFKPHYFXSHH-GXTWGEPZSA-N -1 0 379.438 0.773 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592929297 979956441 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LCSXYVVIDPTVNN-UHFFFAOYSA-N -1 0 379.456 0.837 20 0 GCADRM COc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)c(CC(=O)[O-])c1 ZINC001599608902 993925262 /nfs/dbraw/zinc/92/52/62/993925262.db2.gz MJZAMUWNHAUEGJ-ZDUSSCGKSA-N -1 0 384.454 0.811 20 0 GCADRM COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC001599609046 993926489 /nfs/dbraw/zinc/92/64/89/993926489.db2.gz VZQJCLIVXHBENK-HIFRSBDPSA-N -1 0 385.438 0.998 20 0 GCADRM COc1ccc(S(=O)(=O)CCC(=O)NC[C@H](C(=O)[O-])[C@H]2CCOC2)cc1 ZINC001599609035 993927205 /nfs/dbraw/zinc/92/72/05/993927205.db2.gz VVQLKFPFYFQADD-WFASDCNBSA-N -1 0 385.438 0.713 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)C(=O)[O-])CC2)cc1 ZINC001599609689 993935389 /nfs/dbraw/zinc/93/53/89/993935389.db2.gz NRIHIKPIUCNCHP-NSHDSACASA-N -1 0 399.421 0.681 20 0 GCADRM COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](CO)C2)c(OC)c1C(=O)[O-] ZINC001599609902 993937974 /nfs/dbraw/zinc/93/79/74/993937974.db2.gz XXWPHZFDBHBFLZ-UWVGGRQHSA-N -1 0 375.399 0.172 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN(Cc3ccnn3C)CC2)cc1C(=O)[O-] ZINC001599610627 993947398 /nfs/dbraw/zinc/94/73/98/993947398.db2.gz CUYYDBBTJYZVJG-UHFFFAOYSA-N -1 0 394.453 0.633 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN(CCO)C[C@H]2C)c(OC)c1C(=O)[O-] ZINC001599610687 993948085 /nfs/dbraw/zinc/94/80/85/993948085.db2.gz IQCDGFNJYGPLSJ-LLVKDONJSA-N -1 0 388.442 0.089 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(C(=O)[O-])c1 ZINC001599610641 993948650 /nfs/dbraw/zinc/94/86/50/993948650.db2.gz DTZUENDVWYWDGD-LBPRGKRZSA-N -1 0 386.470 0.859 20 0 GCADRM CN1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598618930 993957579 /nfs/dbraw/zinc/95/75/79/993957579.db2.gz BCEXFBLQICEQIJ-QGZVFWFLSA-N -1 0 398.463 0.479 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c(C(=O)[O-])c1 ZINC001599611340 993959020 /nfs/dbraw/zinc/95/90/20/993959020.db2.gz CDBKVCHVLZQGHY-TZMCWYRMSA-N -1 0 389.451 0.734 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc1C(=O)[O-] ZINC001599611535 993960622 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C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@@](C)(CO)C(=O)[O-] ZINC001593156678 993977112 /nfs/dbraw/zinc/97/71/12/993977112.db2.gz MNEXQUGDQQKCMU-INWYIAFRSA-N -1 0 379.232 0.581 20 0 GCADRM CN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C(=O)[O-])C1 ZINC001598619791 993980956 /nfs/dbraw/zinc/98/09/56/993980956.db2.gz LFKCPJBJFLGAMW-CYBMUJFWSA-N -1 0 381.454 0.450 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](O)C(F)(F)F)c(OC)c1C(=O)[O-] ZINC001599613268 993983061 /nfs/dbraw/zinc/98/30/61/993983061.db2.gz QWEFFFXKHAQXCW-KGFZYKRKSA-N -1 0 387.332 0.992 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)CCS(C)(=O)=O)c(CC(=O)[O-])c1 ZINC001599613533 993985764 /nfs/dbraw/zinc/98/57/64/993985764.db2.gz WCLCFWOBSPLOSG-JTQLQIEISA-N -1 0 379.456 0.424 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)c(C(=O)[O-])c1 ZINC001599613572 993986347 /nfs/dbraw/zinc/98/63/47/993986347.db2.gz JGBXLEVWYIRPMS-LLVKDONJSA-N -1 0 385.442 0.818 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c(OC)c1C(=O)[O-] ZINC001599613717 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CNS(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)co1 ZINC001598673228 994794070 /nfs/dbraw/zinc/79/40/70/994794070.db2.gz JOBYSUZLKMIMJN-IONNQARKSA-N -1 0 384.332 0.913 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001598673821 994806582 /nfs/dbraw/zinc/80/65/82/994806582.db2.gz GPLROKXTVYUPAD-UHFFFAOYSA-N -1 0 381.362 0.855 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H]2CCN(CCC(=O)[O-])C2=O)c1 ZINC001598674049 994809287 /nfs/dbraw/zinc/80/92/87/994809287.db2.gz NPWLYSQFIFCSAZ-ZDUSSCGKSA-N -1 0 384.410 0.136 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)[O-])cc1 ZINC001598674060 994809620 /nfs/dbraw/zinc/80/96/20/994809620.db2.gz NSPKNLUQBUGESU-OCCSQVGLSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)ccc1F ZINC001598674199 994811974 /nfs/dbraw/zinc/81/19/74/994811974.db2.gz MJFYBIVVMSWWLL-KWQFWETISA-N -1 0 375.378 0.440 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)cc1 ZINC001598674228 994813378 /nfs/dbraw/zinc/81/33/78/994813378.db2.gz PSLYMTDXFVTZIC-TZMCWYRMSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)CN2CC(F)(F)C[C@@H]2C(=O)[O-])ccc1C ZINC001598674783 994823717 /nfs/dbraw/zinc/82/37/17/994823717.db2.gz XHWOAGSZROUHFI-LLVKDONJSA-N -1 0 391.396 0.636 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)o1 ZINC001598674955 994825823 /nfs/dbraw/zinc/82/58/23/994825823.db2.gz UIBFYFLRIWAHSB-UHFFFAOYSA-N -1 0 380.378 0.921 20 0 GCADRM CNS(=O)(=O)c1ccc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(F)c1 ZINC001598675226 994831114 /nfs/dbraw/zinc/83/11/14/994831114.db2.gz LBNUMEOYCXYZQW-SNVBAGLBSA-N -1 0 383.405 0.865 20 0 GCADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001598675471 994834367 /nfs/dbraw/zinc/83/43/67/994834367.db2.gz XTBOVBUCGFUGLL-NWDGAFQWSA-N -1 0 376.818 0.298 20 0 GCADRM CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccnc2C(=O)[O-])s1 ZINC001598675436 994834949 /nfs/dbraw/zinc/83/49/49/994834949.db2.gz 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CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001598676794 994857996 /nfs/dbraw/zinc/85/79/96/994857996.db2.gz NZTDFIMOWDTTEQ-JTQLQIEISA-N -1 0 399.450 0.727 20 0 GCADRM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1ocnc1C(=O)[O-])CC2 ZINC001598676761 994858559 /nfs/dbraw/zinc/85/85/59/994858559.db2.gz MRPXEMMBEHTGGI-UHFFFAOYSA-N -1 0 379.394 0.803 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1cccc(S(N)(=O)=O)c1 ZINC001593325693 994867366 /nfs/dbraw/zinc/86/73/66/994867366.db2.gz BYDKBZQDKTUZAC-VIFPVBQESA-N -1 0 387.439 0.410 20 0 GCADRM C[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1nnc2c(=O)[nH]ccn21 ZINC001593325700 994867734 /nfs/dbraw/zinc/86/77/34/994867734.db2.gz KMWFBXPIPWDRQO-SECBINFHSA-N -1 0 377.382 0.296 20 0 GCADRM COc1cccc(Cn2nccc2NC(=O)N2CC(O)(C(=O)[O-])C2)c1OC ZINC001599677409 994920354 /nfs/dbraw/zinc/92/03/54/994920354.db2.gz QCMHLPGGGBTJQZ-UHFFFAOYSA-N -1 0 376.369 0.612 20 0 GCADRM COc1cccc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)C2)c1 ZINC001599678069 994931734 /nfs/dbraw/zinc/93/17/34/994931734.db2.gz RXWJPKHLSAZKMM-DVOMOZLQSA-N -1 0 375.425 0.712 20 0 GCADRM COc1cccc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2)c1 ZINC001599678156 994932714 /nfs/dbraw/zinc/93/27/14/994932714.db2.gz AUYCXIFEQICKNR-RDBSUJKOSA-N -1 0 375.425 0.760 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC001593339430 994934280 /nfs/dbraw/zinc/93/42/80/994934280.db2.gz NUDLRNZPUGSBGN-CZUORRHYSA-N -1 0 385.486 0.453 20 0 GCADRM COc1cccc(N2CC[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C2)c1 ZINC001599678580 994939246 /nfs/dbraw/zinc/93/92/46/994939246.db2.gz GPVQDLADHJAUBC-AVGNSLFASA-N -1 0 378.429 0.551 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001593347698 994958138 /nfs/dbraw/zinc/95/81/38/994958138.db2.gz PZRVSOSAUOIFNV-XWUBHJNHSA-N -1 0 384.458 0.331 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC001593347891 994961103 /nfs/dbraw/zinc/96/11/03/994961103.db2.gz UBGRFTMNGQIWNE-NSHDSACASA-N -1 0 376.398 0.588 20 0 GCADRM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001593347884 994961523 /nfs/dbraw/zinc/96/15/23/994961523.db2.gz TVHLQXLICHAXAA-JTQLQIEISA-N -1 0 378.410 0.374 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593348110 994964241 /nfs/dbraw/zinc/96/42/41/994964241.db2.gz WXTRMDCLDAYQSN-KMUNFCNLSA-N -1 0 392.437 0.516 20 0 GCADRM C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001593353249 994975181 /nfs/dbraw/zinc/97/51/81/994975181.db2.gz RCULDQFEJHERRP-XVKPBYJWSA-N -1 0 384.332 0.765 20 0 GCADRM C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1Cc1ccoc1 ZINC001593353284 994976893 /nfs/dbraw/zinc/97/68/93/994976893.db2.gz SGTUYSVHOWSJBL-WCQYABFASA-N -1 0 397.457 0.831 20 0 GCADRM COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)CC1 ZINC001598684430 994984529 /nfs/dbraw/zinc/98/45/29/994984529.db2.gz VADAPOOXBJVIEP-LBPRGKRZSA-N -1 0 393.444 0.695 20 0 GCADRM COc1cccc(S(=O)(=O)CCN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC001599681247 994985246 /nfs/dbraw/zinc/98/52/46/994985246.db2.gz PXZSQLOWNVKEHI-LBPRGKRZSA-N -1 0 391.467 0.043 20 0 GCADRM COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1OC ZINC001598689528 995042792 /nfs/dbraw/zinc/04/27/92/995042792.db2.gz ZVKLUTGKEXGQEI-GWCFXTLKSA-N -1 0 389.426 0.948 20 0 GCADRM C[C@@H](Nc1ccn(CC(=O)[O-])n1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC001593368232 995061555 /nfs/dbraw/zinc/06/15/55/995061555.db2.gz VLTQZZKZQARGPN-GFCCVEGCSA-N -1 0 375.385 0.346 20 0 GCADRM C[C@](O)(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccc(F)cc1 ZINC001593375472 995079021 /nfs/dbraw/zinc/07/90/21/995079021.db2.gz DHFMSYBKQXXFEX-SRADESNWSA-N -1 0 399.440 0.960 20 0 GCADRM COC(=O)[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001598691986 995080162 /nfs/dbraw/zinc/08/01/62/995080162.db2.gz MPLPHCUONKLACJ-BBATYDOGSA-N -1 0 378.381 0.652 20 0 GCADRM COC(=O)[C@H](C)c1cccc(NC(=O)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001598691984 995080490 /nfs/dbraw/zinc/08/04/90/995080490.db2.gz MPLPHCUONKLACJ-ADLMAVQZSA-N -1 0 378.381 0.652 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001598692954 995093477 /nfs/dbraw/zinc/09/34/77/995093477.db2.gz FPKXTCURAQRDQR-CQSZACIVSA-N -1 0 399.407 0.959 20 0 GCADRM C[C@](O)(C1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1)C(F)(F)F ZINC001593381816 995093987 /nfs/dbraw/zinc/09/39/87/995093987.db2.gz OLXDGFLTCMMIMV-VPJDZLOFSA-N -1 0 380.363 0.908 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC001598693088 995095428 /nfs/dbraw/zinc/09/54/28/995095428.db2.gz BFKLSPHSSIKDON-SECBINFHSA-N -1 0 396.215 0.752 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC001598693191 995096093 /nfs/dbraw/zinc/09/60/93/995096093.db2.gz CDMWSVXIIGIGBB-QMMMGPOBSA-N -1 0 381.790 0.652 20 0 GCADRM C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001593385934 995099797 /nfs/dbraw/zinc/09/97/97/995099797.db2.gz DTUREBHDIAIIHU-IBGZPJMESA-N -1 0 390.436 0.500 20 0 GCADRM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccoc1C(=O)[O-] ZINC001593389337 995116016 /nfs/dbraw/zinc/11/60/16/995116016.db2.gz DFOFDXPLZDCIOH-MRXNPFEDSA-N -1 0 379.369 0.210 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccoc1C(=O)[O-] ZINC001593389336 995116268 /nfs/dbraw/zinc/11/62/68/995116268.db2.gz DFOFDXPLZDCIOH-INIZCTEOSA-N -1 0 379.369 0.210 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC001598694595 995116766 /nfs/dbraw/zinc/11/67/66/995116766.db2.gz UDBYSMBXBDMYDY-LBPRGKRZSA-N -1 0 386.426 0.300 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001593390132 995120163 /nfs/dbraw/zinc/12/01/63/995120163.db2.gz JRUVYOHSMWYHHT-UUWFMWQGSA-N -1 0 393.440 0.458 20 0 GCADRM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001593390126 995120407 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COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC=C(C(F)(F)F)CC2)C[C@@H]1C(=O)[O-] ZINC001598803343 996160809 /nfs/dbraw/zinc/16/08/09/996160809.db2.gz KQTIQMPVPGCNJH-VHSXEESVSA-N -1 0 378.303 0.040 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001593698840 996167292 /nfs/dbraw/zinc/16/72/92/996167292.db2.gz IFRTZTFQPZEZOX-SNVBAGLBSA-N -1 0 376.456 0.521 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598804537 996172535 /nfs/dbraw/zinc/17/25/35/996172535.db2.gz BBLFCAKYNJNRTB-IJLUTSLNSA-N -1 0 386.198 0.815 20 0 GCADRM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593700037 996173934 /nfs/dbraw/zinc/17/39/34/996173934.db2.gz SWDXESFFVCHEBO-WFASDCNBSA-N -1 0 396.465 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598804964 996176722 /nfs/dbraw/zinc/17/67/22/996176722.db2.gz CBPDAPCSMSVWNH-UONOGXRCSA-N -1 0 384.429 0.823 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804982 996176750 /nfs/dbraw/zinc/17/67/50/996176750.db2.gz VGTAJRWABPKLOL-HIFRSBDPSA-N -1 0 384.454 0.775 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001593702934 996177707 /nfs/dbraw/zinc/17/77/07/996177707.db2.gz HNFCFEQCENVJDW-SECBINFHSA-N -1 0 381.414 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805152 996178271 /nfs/dbraw/zinc/17/82/71/996178271.db2.gz ZFBLNAKEWRZYNW-HUUCEWRRSA-N -1 0 376.409 0.410 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598805352 996180621 /nfs/dbraw/zinc/18/06/21/996180621.db2.gz BLHNAXSMNFRDOW-GRYCIOLGSA-N -1 0 387.433 0.662 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)C[C@@H]1C(=O)[O-] ZINC001598805461 996181871 /nfs/dbraw/zinc/18/18/71/996181871.db2.gz CJWZORBJZLVAJE-CZXHOFHRSA-N -1 0 380.401 0.155 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593703777 996182316 /nfs/dbraw/zinc/18/23/16/996182316.db2.gz VETHSXXGZCQMHD-JTQLQIEISA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805594 996183125 /nfs/dbraw/zinc/18/31/25/996183125.db2.gz FDNBOVJUJUTHFH-BZUAXINKSA-N -1 0 388.420 0.552 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805677 996183747 /nfs/dbraw/zinc/18/37/47/996183747.db2.gz CXEKBGKCLMWIBD-KFWWJZLASA-N -1 0 391.424 0.721 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805683 996184110 /nfs/dbraw/zinc/18/41/10/996184110.db2.gz CXEKBGKCLMWIBD-ZNMIVQPWSA-N -1 0 391.424 0.721 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598805837 996185457 /nfs/dbraw/zinc/18/54/57/996185457.db2.gz AYBNEBJOHDNMTI-OLZOCXBDSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598806151 996189024 /nfs/dbraw/zinc/18/90/24/996189024.db2.gz BQZBTENNQYAGDE-RNFRBKRXSA-N -1 0 378.250 0.673 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598806142 996189208 /nfs/dbraw/zinc/18/92/08/996189208.db2.gz BQZBTENNQYAGDE-BQBZGAKWSA-N -1 0 378.250 0.673 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001598806241 996189587 /nfs/dbraw/zinc/18/95/87/996189587.db2.gz CJGVVMPQHOCUHN-KGLIPLIRSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)[C@@H](C(=O)OC)C1 ZINC001598806328 996190217 /nfs/dbraw/zinc/19/02/17/996190217.db2.gz ZUGIFXIGWBYGOV-POOIEITISA-N -1 0 391.442 0.386 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCN2CCCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598806494 996191961 /nfs/dbraw/zinc/19/19/61/996191961.db2.gz DEAKNQGUSDWJED-LSDHHAIUSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598806488 996192080 /nfs/dbraw/zinc/19/20/80/996192080.db2.gz GHRNSCUKKRWWRW-YNEHKIRRSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598806694 996193587 /nfs/dbraw/zinc/19/35/87/996193587.db2.gz ISXFKNIZSVBHAT-RBSFLKMASA-N -1 0 397.449 0.537 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806685 996193607 /nfs/dbraw/zinc/19/36/07/996193607.db2.gz INMVLQHBNRTVQN-RYUDHWBXSA-N -1 0 385.413 0.457 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806686 996193613 /nfs/dbraw/zinc/19/36/13/996193613.db2.gz INMVLQHBNRTVQN-VXGBXAGGSA-N -1 0 385.413 0.457 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806967 996196389 /nfs/dbraw/zinc/19/63/89/996196389.db2.gz JSQQPQLZUJXHFX-FMKPAKJESA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)C[C@H]1C(=O)[O-] ZINC001598807177 996197884 /nfs/dbraw/zinc/19/78/84/996197884.db2.gz JKCQRYXHHSNXKB-FDYHWXHSSA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598807224 996198643 /nfs/dbraw/zinc/19/86/43/996198643.db2.gz HUBUHQMBSTZXPZ-CYLBZQBVSA-N -1 0 385.417 0.583 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(F)c2)C[C@@H]1C(=O)[O-] ZINC001598807732 996202570 /nfs/dbraw/zinc/20/25/70/996202570.db2.gz KCNSYAHYNTVSIC-KBPBESRZSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(F)c2)C[C@H]1C(=O)[O-] ZINC001598807738 996202713 /nfs/dbraw/zinc/20/27/13/996202713.db2.gz KCNSYAHYNTVSIC-ZIAGYGMSSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)C[C@H]1C(=O)[O-] ZINC001598808031 996205780 /nfs/dbraw/zinc/20/57/80/996205780.db2.gz KLFJAJHRDKJCGY-ITQPQPLLSA-N -1 0 384.429 0.474 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598808371 996208169 /nfs/dbraw/zinc/20/81/69/996208169.db2.gz NIZJJAHBWLQNTR-HLTSFMKQSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC001598808402 996208484 /nfs/dbraw/zinc/20/84/84/996208484.db2.gz NMOQMTJAPJLJJL-OLZOCXBDSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@]2(C)OCCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808472 996209184 /nfs/dbraw/zinc/20/91/84/996209184.db2.gz MGBIAWIKKDHIKO-KSMMKXTCSA-N -1 0 376.409 0.990 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(Br)cnn2C)C[C@@H]1C(=O)[O-] ZINC001598808458 996209333 /nfs/dbraw/zinc/20/93/33/996209333.db2.gz MBCFRCNMSRYJKY-YUMQZZPRSA-N -1 0 389.206 0.198 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808630 996210655 /nfs/dbraw/zinc/21/06/55/996210655.db2.gz FQNKNXVFOHLTLT-UONOGXRCSA-N -1 0 383.422 0.491 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808793 996211826 /nfs/dbraw/zinc/21/18/26/996211826.db2.gz FZINHBUMJYSJLF-KGLIPLIRSA-N -1 0 377.397 0.126 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)C[C@@H]1C(=O)[O-] ZINC001598808960 996213685 /nfs/dbraw/zinc/21/36/85/996213685.db2.gz GKRKKZWIEQHXOL-ZNMIVQPWSA-N -1 0 390.392 0.902 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598808983 996213731 /nfs/dbraw/zinc/21/37/31/996213731.db2.gz QLADAVBPEBYSDL-AXFHLTTASA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598808997 996213908 /nfs/dbraw/zinc/21/39/08/996213908.db2.gz QLADAVBPEBYSDL-MXWKQRLJSA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)COc2ccc(CCC(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809245 996216157 /nfs/dbraw/zinc/21/61/57/996216157.db2.gz HCAJLJJARKTRBF-JKSUJKDBSA-N -1 0 377.393 0.919 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(C3(C)OCCO3)cc2)C[C@H]1C(=O)[O-] ZINC001598809354 996216755 /nfs/dbraw/zinc/21/67/55/996216755.db2.gz PZCYPUUEWRHAPA-CABCVRRESA-N -1 0 392.408 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598809442 996218155 /nfs/dbraw/zinc/21/81/55/996218155.db2.gz SEHNRFVEQHUBDY-LERXQTSPSA-N -1 0 383.422 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@H]1C(=O)[O-] ZINC001598809854 996221446 /nfs/dbraw/zinc/22/14/46/996221446.db2.gz UDLDNDIPJLUCAF-CHWSQXEVSA-N -1 0 383.445 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598809965 996222086 /nfs/dbraw/zinc/22/20/86/996222086.db2.gz SGCLHHWKTINYRE-QWHCGFSZSA-N -1 0 385.417 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598810170 996224424 /nfs/dbraw/zinc/22/44/24/996224424.db2.gz VHVBXXFXARFHDD-ARFHVFGLSA-N -1 0 388.420 0.989 20 0 GCADRM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001593713706 996224448 /nfs/dbraw/zinc/22/44/48/996224448.db2.gz MYNCJXSPBCRDPB-SUMDDJOVSA-N -1 0 375.469 0.802 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598810173 996224578 /nfs/dbraw/zinc/22/45/78/996224578.db2.gz VHVBXXFXARFHDD-OWCLPIDISA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCOc2cccc(OC)c2)C[C@H]1C(=O)[O-] ZINC001598810212 996224852 /nfs/dbraw/zinc/22/48/52/996224852.db2.gz SOJBCDQJDSBBMR-CABCVRRESA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](c2nccn2C)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598810435 996226938 /nfs/dbraw/zinc/22/69/38/996226938.db2.gz KRLHODLCOLGXMR-OPRDCNLKSA-N -1 0 377.319 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)C[C@@H]1C(=O)[O-] ZINC001598811225 996233338 /nfs/dbraw/zinc/23/33/38/996233338.db2.gz ACHNRNPOEHEEJP-QWHCGFSZSA-N -1 0 390.396 0.549 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCCN(C)C(=O)c2ccncc2)C[C@H]1C(=O)[O-] ZINC001598811404 996234953 /nfs/dbraw/zinc/23/49/53/996234953.db2.gz NWNTUMBJQAYABF-KGLIPLIRSA-N -1 0 377.397 0.266 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(N3CCCC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598811502 996235394 /nfs/dbraw/zinc/23/53/94/996235394.db2.gz XCLPWSXKAYKSLX-CABCVRRESA-N -1 0 389.408 0.829 20 0 GCADRM C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001593717645 996236125 /nfs/dbraw/zinc/23/61/25/996236125.db2.gz OPFHGYRGLXSXHX-RISCZKNCSA-N -1 0 379.388 0.719 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc3c2OCCCO3)C[C@H]1C(=O)[O-] ZINC001598811602 996236681 /nfs/dbraw/zinc/23/66/81/996236681.db2.gz AWSLUPZKPORARV-CHWSQXEVSA-N -1 0 378.381 0.863 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598812421 996243009 /nfs/dbraw/zinc/24/30/09/996243009.db2.gz ZFLFDKVPDUJKHF-KGLIPLIRSA-N -1 0 377.397 0.404 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)C[C@@H]1C(=O)[O-] ZINC001598812517 996244484 /nfs/dbraw/zinc/24/44/84/996244484.db2.gz QHNSRNLUBSXBRW-WDEREUQCSA-N -1 0 386.401 0.002 20 0 GCADRM C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719610 996244436 /nfs/dbraw/zinc/24/44/36/996244436.db2.gz PUEFYWPITLZYKB-WBMJQRKESA-N -1 0 398.423 0.897 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598812770 996245854 /nfs/dbraw/zinc/24/58/54/996245854.db2.gz DTOHZLLQQBXCPQ-NEPJUHHUSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598813115 996248345 /nfs/dbraw/zinc/24/83/45/996248345.db2.gz SKCKAMBUHDNJJO-VHSXEESVSA-N -1 0 394.371 0.869 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C[C@@H]1C(=O)[O-] ZINC001598813510 996250618 /nfs/dbraw/zinc/25/06/18/996250618.db2.gz UZGWZKMLHHPBPZ-UONOGXRCSA-N -1 0 399.421 0.191 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H]1C(=O)[O-] ZINC001598813748 996251888 /nfs/dbraw/zinc/25/18/88/996251888.db2.gz HVIQAKAUTCZHLS-QWRGUYRKSA-N -1 0 379.369 0.278 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2C)C[C@H]1C(=O)[O-] ZINC001598814259 996256320 /nfs/dbraw/zinc/25/63/20/996256320.db2.gz JZOLWOVRZFSWJQ-NEPJUHHUSA-N -1 0 390.396 0.862 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2c(Br)nc3n2CCC3)C[C@@H]1C(=O)[O-] ZINC001598814990 996262347 /nfs/dbraw/zinc/26/23/47/996262347.db2.gz NYMWAEUDMJLZRL-JGVFFNPUSA-N -1 0 386.202 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(C)=O)C[C@H]1C(=O)[O-] ZINC001598814960 996262513 /nfs/dbraw/zinc/26/25/13/996262513.db2.gz NLOTZSGYNUEMLM-CHWSQXEVSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)C[C@@H]1C(=O)[O-] ZINC001598816092 996272308 /nfs/dbraw/zinc/27/23/08/996272308.db2.gz AORHWWUTPWATQY-KBPBESRZSA-N -1 0 390.371 0.720 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)C[C@H]1C(=O)[O-] ZINC001598816219 996273658 /nfs/dbraw/zinc/27/36/58/996273658.db2.gz QSMAABISFKWNHO-MGPQQGTHSA-N -1 0 375.381 0.975 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598816381 996275107 /nfs/dbraw/zinc/27/51/07/996275107.db2.gz SFQAPRNKZBESBU-KBPBESRZSA-N -1 0 393.396 0.491 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)C[C@@H]1C(=O)[O-] ZINC001598816617 996277326 /nfs/dbraw/zinc/27/73/26/996277326.db2.gz SNRVJHGRAHSBOF-XPVILTJLSA-N -1 0 377.393 0.420 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001598816738 996278064 /nfs/dbraw/zinc/27/80/64/996278064.db2.gz TYNAYAZMHVBNDI-XQQFMLRXSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598816798 996278560 /nfs/dbraw/zinc/27/85/60/996278560.db2.gz RRWIADDYTPDPFK-AGIUHOORSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598816826 996279445 /nfs/dbraw/zinc/27/94/45/996279445.db2.gz SBPQKYHHZHPAKW-QWHCGFSZSA-N -1 0 393.396 0.910 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598817028 996281268 /nfs/dbraw/zinc/28/12/68/996281268.db2.gz UWJFUHFNWXXVAX-VXGBXAGGSA-N -1 0 390.352 0.080 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C(=O)OC ZINC001598817114 996282431 /nfs/dbraw/zinc/28/24/31/996282431.db2.gz MJNWRSPUKWJKQC-OKILXGFUSA-N -1 0 393.392 0.801 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@@H]1C(=O)[O-] ZINC001598817213 996283080 /nfs/dbraw/zinc/28/30/80/996283080.db2.gz UCNOFICPXPIMGS-GBJTYRQASA-N -1 0 395.456 0.145 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598817198 996283138 /nfs/dbraw/zinc/28/31/38/996283138.db2.gz TUESUFCOFNVUIA-QWHCGFSZSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598817900 996290786 /nfs/dbraw/zinc/29/07/86/996290786.db2.gz WTLDRQLWJBQXOD-HBNTYKKESA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598818625 996298876 /nfs/dbraw/zinc/29/88/76/996298876.db2.gz AAAKBGFRKCLMPJ-UWVGGRQHSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598818602 996298882 /nfs/dbraw/zinc/29/88/82/996298882.db2.gz AAAKBGFRKCLMPJ-NXEZZACHSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C1 ZINC001598818990 996303893 /nfs/dbraw/zinc/30/38/93/996303893.db2.gz MXSIGFVVRHFUCO-LLVKDONJSA-N -1 0 388.417 0.558 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598819135 996305049 /nfs/dbraw/zinc/30/50/49/996305049.db2.gz ZRMJHADZZHDMRY-KXNHARMFSA-N -1 0 385.417 0.557 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819531 996309251 /nfs/dbraw/zinc/30/92/51/996309251.db2.gz DSKMLMKFEGPUAH-MRVWCRGKSA-N -1 0 375.381 0.607 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@@H]1C(=O)[O-] ZINC001598819778 996312257 /nfs/dbraw/zinc/31/22/57/996312257.db2.gz UXPHYHREDJNXNG-IUCAKERBSA-N -1 0 390.801 0.084 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c(F)cc(F)cc3c2O)C[C@@H]1C(=O)[O-] ZINC001598819992 996314906 /nfs/dbraw/zinc/31/49/06/996314906.db2.gz DXDVITALGJFGFK-QWRGUYRKSA-N -1 0 380.303 0.752 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@@H]1C(=O)[O-] ZINC001598820069 996315708 /nfs/dbraw/zinc/31/57/08/996315708.db2.gz RKEBMPUXEXUVIN-BQBZGAKWSA-N -1 0 397.377 0.690 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@@H]1C(=O)[O-] ZINC001598820242 996317359 /nfs/dbraw/zinc/31/73/59/996317359.db2.gz SMUIXPONRZCBPC-YUMQZZPRSA-N -1 0 386.202 0.538 20 0 GCADRM C[C@H](c1ncc(Br)cn1)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001593734439 996324475 /nfs/dbraw/zinc/32/44/75/996324475.db2.gz VSJCZPLVTYYIQW-SCZZXKLOSA-N -1 0 378.248 0.874 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598820864 996324653 /nfs/dbraw/zinc/32/46/53/996324653.db2.gz IOGOZDHOYAGYAX-ZIAGYGMSSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598820857 996324806 /nfs/dbraw/zinc/32/48/06/996324806.db2.gz IOGOZDHOYAGYAX-KGLIPLIRSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1C(=O)[O-] ZINC001598821175 996329019 /nfs/dbraw/zinc/32/90/19/996329019.db2.gz JOYLZLUZSLDZNQ-RYUDHWBXSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Br)cc(N)c2N)C[C@H]1C(=O)[O-] ZINC001598821190 996329038 /nfs/dbraw/zinc/32/90/38/996329038.db2.gz ZDXPDSUXDGFDOS-BDAKNGLRSA-N -1 0 386.202 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)C1 ZINC001598821301 996330523 /nfs/dbraw/zinc/33/05/23/996330523.db2.gz XWMADOBSZWBKRT-CYBMUJFWSA-N -1 0 376.475 0.388 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001593737391 996334783 /nfs/dbraw/zinc/33/47/83/996334783.db2.gz NOACWVISYJFEMY-UPJWGTAASA-N -1 0 380.470 0.718 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)C[C@@H]1C(=O)[O-] ZINC001598821783 996336256 /nfs/dbraw/zinc/33/62/56/996336256.db2.gz LYBSMGPGNFZLHP-YUMQZZPRSA-N -1 0 386.286 0.923 20 0 GCADRM COC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC001598821854 996336493 /nfs/dbraw/zinc/33/64/93/996336493.db2.gz MSNMXWPZOLOWIE-KBPBESRZSA-N -1 0 389.408 0.323 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccccc2CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598822263 996341697 /nfs/dbraw/zinc/34/16/97/996341697.db2.gz PBGLIODPBYSFKY-CVEARBPZSA-N -1 0 376.409 0.465 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C[C@@H]1C(=O)[O-] ZINC001598822889 996349552 /nfs/dbraw/zinc/34/95/52/996349552.db2.gz UDKVWLHNXFTQSE-RYUDHWBXSA-N -1 0 376.344 0.661 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](Cc2ccccc2)OC)C[C@@H]1C(=O)[O-] ZINC001598822960 996350009 /nfs/dbraw/zinc/35/00/09/996350009.db2.gz ANYNHSJRDRBLIN-SOUVJXGZSA-N -1 0 385.438 0.380 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1C(=O)[O-] ZINC001598823349 996354100 /nfs/dbraw/zinc/35/41/00/996354100.db2.gz CBJZOOOEZUIPAL-IUCAKERBSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)C[C@@H]1C(=O)[O-] ZINC001598823458 996356138 /nfs/dbraw/zinc/35/61/38/996356138.db2.gz CTPKKKUIWZSENK-VGWMRTNUSA-N -1 0 397.449 0.824 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C[C@H]1C(=O)OC ZINC001598824523 996367590 /nfs/dbraw/zinc/36/75/90/996367590.db2.gz HCDMUGNALKNXHT-BETUJISGSA-N -1 0 385.394 0.276 20 0 GCADRM C[C@@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC(c2ccccc2)=NO1 ZINC001593748107 996376880 /nfs/dbraw/zinc/37/68/80/996376880.db2.gz DSHSOMGHRYJTDV-VQTJNVASSA-N -1 0 387.436 0.958 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598825732 996380183 /nfs/dbraw/zinc/38/01/83/996380183.db2.gz LGKHPZRFHRLXDW-DTWKUNHWSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598826283 996386096 /nfs/dbraw/zinc/38/60/96/996386096.db2.gz HWUONMOJSQUPAU-MGPQQGTHSA-N -1 0 380.445 0.823 20 0 GCADRM C[C@]1(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCS1(=O)=O ZINC001593749321 996387261 /nfs/dbraw/zinc/38/72/61/996387261.db2.gz LLAOXULFQYKTOI-ZUZCIYMTSA-N -1 0 386.451 0.635 20 0 GCADRM C[C@@]1(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCS1(=O)=O ZINC001593749318 996387327 /nfs/dbraw/zinc/38/73/27/996387327.db2.gz LLAOXULFQYKTOI-BMIGLBTASA-N -1 0 386.451 0.635 20 0 GCADRM COC(=O)[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C(=O)[O-] ZINC001598826497 996388809 /nfs/dbraw/zinc/38/88/09/996388809.db2.gz IAWIHRNLAACCHY-OLZOCXBDSA-N -1 0 386.426 0.370 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@H]1C(=O)[O-] ZINC001598827054 996394660 /nfs/dbraw/zinc/39/46/60/996394660.db2.gz PDXREZDRYXBJSJ-MNOVXSKESA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@H]1CN(CN2CCN(Cc3ccccc3F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598827248 996395612 /nfs/dbraw/zinc/39/56/12/996395612.db2.gz JUUPNHDQQHQSBL-KBPBESRZSA-N -1 0 379.388 0.826 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@H]1C(=O)[O-] ZINC001598827233 996395820 /nfs/dbraw/zinc/39/58/20/996395820.db2.gz LSPFCRDCOJOGMS-VXGBXAGGSA-N -1 0 380.378 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598827290 996396308 /nfs/dbraw/zinc/39/63/08/996396308.db2.gz KHOAINSLPMGRPQ-VHSXEESVSA-N -1 0 376.818 0.293 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598827534 996398853 /nfs/dbraw/zinc/39/88/53/996398853.db2.gz NFZPVSLUCDOERE-HZSPNIEDSA-N -1 0 380.445 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598827533 996399086 /nfs/dbraw/zinc/39/90/86/996399086.db2.gz NFZPVSLUCDOERE-BFHYXJOUSA-N -1 0 380.445 0.966 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598827688 996401522 /nfs/dbraw/zinc/40/15/22/996401522.db2.gz OAPCUUFUGKWIHC-BDAKNGLRSA-N -1 0 378.790 0.238 20 0 GCADRM C[C@]1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001593756232 996406958 /nfs/dbraw/zinc/40/69/58/996406958.db2.gz JIENPCPDWDLWKB-DEXNDLTESA-N -1 0 376.409 0.985 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)C1 ZINC001593761404 996421186 /nfs/dbraw/zinc/42/11/86/996421186.db2.gz ACRQXGPZZIDNHR-OALUTQOASA-N -1 0 378.400 0.959 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCCN3C)n2CC2CC2)C[C@H]1C(=O)[O-] ZINC001598829964 996425530 /nfs/dbraw/zinc/42/55/30/996425530.db2.gz WEZOPCMNMRWYLE-MCIONIFRSA-N -1 0 377.445 0.765 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC001593762233 996428801 /nfs/dbraw/zinc/42/88/01/996428801.db2.gz IVORSZRXUPNFLO-SFHVURJKSA-N -1 0 378.404 0.583 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCn3c(CC4CC4)nnc3C2)C1 ZINC001593762882 996434651 /nfs/dbraw/zinc/43/46/51/996434651.db2.gz VVJJGEWFTALGBO-SFHVURJKSA-N -1 0 375.429 0.286 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001593765769 996442824 /nfs/dbraw/zinc/44/28/24/996442824.db2.gz WMKLAJHPJJMSHJ-AUUYWEPGSA-N -1 0 393.415 0.442 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)C1 ZINC001593765872 996443807 /nfs/dbraw/zinc/44/38/07/996443807.db2.gz ZJYLWAIMQGBQHO-QGZVFWFLSA-N -1 0 382.438 0.290 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC001593766815 996448281 /nfs/dbraw/zinc/44/82/81/996448281.db2.gz XXIJLEXEUGVFJC-FQEVSTJZSA-N -1 0 385.420 0.772 20 0 GCADRM COC(=O)C[C@](C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccccn1 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395.362 0.510 20 0 GCADRM Cn1nc(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2ccccc21 ZINC000420565936 1194242414 /nfs/dbraw/zinc/24/24/14/1194242414.db2.gz UAIFRLQOCBXQNV-RNODOKPDSA-N -1 0 384.436 0.945 20 0 GCADRM CC[C@H]1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H](CC)CN1C(C)=O ZINC000420581904 1194242902 /nfs/dbraw/zinc/24/29/02/1194242902.db2.gz WGJYFZSGTNZIGZ-CKUJCDMFSA-N -1 0 381.473 0.994 20 0 GCADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000420582539 1194242942 /nfs/dbraw/zinc/24/29/42/1194242942.db2.gz MLDWNSFQSDAFNR-XHSDSOJGSA-N -1 0 393.484 0.997 20 0 GCADRM CCO[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)C12CCOCC2 ZINC000420587002 1194243432 /nfs/dbraw/zinc/24/34/32/1194243432.db2.gz RDUSCOADEGNGLV-VPCSNGCSSA-N -1 0 394.468 0.790 20 0 GCADRM O=C([O-])CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000420588002 1194243615 /nfs/dbraw/zinc/24/36/15/1194243615.db2.gz GZYGXQUDCVDVIS-LLVKDONJSA-N -1 0 396.831 0.893 20 0 GCADRM 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CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1C ZINC000422663475 1194680655 /nfs/dbraw/zinc/68/06/55/1194680655.db2.gz PRHQLEDYIZWDNR-CYBMUJFWSA-N -1 0 383.426 0.771 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000422663100 1194680693 /nfs/dbraw/zinc/68/06/93/1194680693.db2.gz OVNAEHPOPKODCP-AWEZNQCLSA-N -1 0 397.453 0.635 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)C(=O)[O-] ZINC000422661251 1194680809 /nfs/dbraw/zinc/68/08/09/1194680809.db2.gz IXVJKCNKTLEFEH-MRXNPFEDSA-N -1 0 389.408 0.890 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(=O)OC ZINC000422664890 1194681119 /nfs/dbraw/zinc/68/11/19/1194681119.db2.gz UGQWFTWIGLKWDW-GFCCVEGCSA-N -1 0 378.337 0.274 20 0 GCADRM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C)S1(=O)=O ZINC000422643163 1194681190 /nfs/dbraw/zinc/68/11/90/1194681190.db2.gz IMCSMJDKHRYXES-KOLCDFICSA-N -1 0 386.401 0.887 20 0 GCADRM CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000422663162 1194681199 /nfs/dbraw/zinc/68/11/99/1194681199.db2.gz PEIDLHSFTFFNAC-GFCCVEGCSA-N -1 0 397.815 0.821 20 0 GCADRM CCOC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC12COC2 ZINC000422644688 1194681236 /nfs/dbraw/zinc/68/12/36/1194681236.db2.gz PXNXXKCUGRUVHK-CYBMUJFWSA-N -1 0 390.392 0.290 20 0 GCADRM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000422644468 1194681241 /nfs/dbraw/zinc/68/12/41/1194681241.db2.gz OXIJINGRBAGZRH-UHFFFAOYSA-N -1 0 399.469 0.977 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1C(=O)OC ZINC000422664891 1194681315 /nfs/dbraw/zinc/68/13/15/1194681315.db2.gz UGQWFTWIGLKWDW-LBPRGKRZSA-N -1 0 378.337 0.274 20 0 GCADRM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000422649273 1194681622 /nfs/dbraw/zinc/68/16/22/1194681622.db2.gz HWKYGLHVZJYLKJ-LBPRGKRZSA-N -1 0 399.469 0.991 20 0 GCADRM CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 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GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000422657957 1194683115 /nfs/dbraw/zinc/68/31/15/1194683115.db2.gz BTGUWXGAPWTVLG-SNVBAGLBSA-N -1 0 397.313 1.300 20 0 GCADRM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000422656254 1194683160 /nfs/dbraw/zinc/68/31/60/1194683160.db2.gz CFHJIKMXEIOCHG-CABCVRRESA-N -1 0 391.424 0.768 20 0 GCADRM CCNC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000422657597 1194683173 /nfs/dbraw/zinc/68/31/73/1194683173.db2.gz MCPJNOIKMAJKKF-AWEZNQCLSA-N -1 0 379.413 0.756 20 0 GCADRM CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000422658272 1194683361 /nfs/dbraw/zinc/68/33/61/1194683361.db2.gz CSNRACKFVBBCRH-AWEZNQCLSA-N -1 0 395.437 0.484 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2scnc2C2CC2)C1=O ZINC000422679213 1194683374 /nfs/dbraw/zinc/68/33/74/1194683374.db2.gz SHBMGEJNQOJVON-ZYHUDNBSSA-N -1 0 394.453 0.785 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000422658358 1194683503 /nfs/dbraw/zinc/68/35/03/1194683503.db2.gz QYCQZXVQJYWJIG-AWEZNQCLSA-N -1 0 397.453 0.781 20 0 GCADRM COCCOc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000422660009 1194683521 /nfs/dbraw/zinc/68/35/21/1194683521.db2.gz BSDDYLKXXRRRQB-OAHLLOKOSA-N -1 0 387.392 0.857 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1=O ZINC000422680243 1194683712 /nfs/dbraw/zinc/68/37/12/1194683712.db2.gz YOLFNEFBCKGXQX-GJZGRUSLSA-N -1 0 386.408 0.933 20 0 GCADRM CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422681371 1194683734 /nfs/dbraw/zinc/68/37/34/1194683734.db2.gz HQNUSCMXYGQSJN-HXPMCKFVSA-N -1 0 389.408 0.707 20 0 GCADRM Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000422681487 1194683740 /nfs/dbraw/zinc/68/37/40/1194683740.db2.gz HXNIIOYALUQALU-KRWDZBQOSA-N -1 0 382.438 0.969 20 0 GCADRM 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ZINC000422685194 1194684746 /nfs/dbraw/zinc/68/47/46/1194684746.db2.gz QVYCXQXEPYYGMQ-SNVBAGLBSA-N -1 0 381.433 0.885 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(O[C@H]3CC(=O)N3)cc1)C2 ZINC000422686274 1194684760 /nfs/dbraw/zinc/68/47/60/1194684760.db2.gz SXCBIFQQVPYHHI-SGJUXQJHSA-N -1 0 387.392 0.563 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000422665243 1194685115 /nfs/dbraw/zinc/68/51/15/1194685115.db2.gz VVRRMIAGFWDZOF-ZDUSSCGKSA-N -1 0 388.380 0.679 20 0 GCADRM COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)[O-])c2)nn1 ZINC000422665295 1194685122 /nfs/dbraw/zinc/68/51/22/1194685122.db2.gz WGTSFXKRDHJIEK-CYBMUJFWSA-N -1 0 387.352 0.068 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cc(OC)cc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000422667360 1194685418 /nfs/dbraw/zinc/68/54/18/1194685418.db2.gz UOTGYALEKKTDAW-ZANVPECISA-N -1 0 386.426 0.653 20 0 GCADRM CSCCc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000422667811 1194685538 /nfs/dbraw/zinc/68/55/38/1194685538.db2.gz AMPXGPBCMYOQRX-GFCCVEGCSA-N -1 0 395.481 0.968 20 0 GCADRM COc1c(C)ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1C ZINC000422669781 1194685770 /nfs/dbraw/zinc/68/57/70/1194685770.db2.gz IJRWQBLUHRNYPL-GFCCVEGCSA-N -1 0 379.413 0.688 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422669718 1194685774 /nfs/dbraw/zinc/68/57/74/1194685774.db2.gz FEBWQSCKFQSWCF-GFCCVEGCSA-N -1 0 389.408 0.484 20 0 GCADRM COc1cc(C)cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1C ZINC000422670846 1194685899 /nfs/dbraw/zinc/68/58/99/1194685899.db2.gz LJYVISRAMVVMMO-LBPRGKRZSA-N -1 0 379.413 0.688 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1)[C@@H](C)C(=O)[O-] ZINC000422670749 1194685908 /nfs/dbraw/zinc/68/59/08/1194685908.db2.gz LCJDQMAWGGSVLV-LBPRGKRZSA-N -1 0 387.396 0.249 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OC(C)C)nc1)[C@H](C)C(=O)[O-] ZINC000422670608 1194685991 /nfs/dbraw/zinc/68/59/91/1194685991.db2.gz KVDJKMNRHGCWLL-LLVKDONJSA-N -1 0 380.401 0.245 20 0 GCADRM CCOc1ccc(OC)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422671334 1194686126 /nfs/dbraw/zinc/68/61/26/1194686126.db2.gz NABWXVJNKVUGKT-LLVKDONJSA-N -1 0 395.412 0.470 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OC(F)F)c1)[C@@H](C)C(=O)[O-] ZINC000422672480 1194686146 /nfs/dbraw/zinc/68/61/46/1194686146.db2.gz QJUGJQJQJNCZDF-VIFPVBQESA-N -1 0 387.339 0.664 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N(C)C)c1C)[C@H](C)C(=O)[O-] ZINC000422671699 1194686214 /nfs/dbraw/zinc/68/62/14/1194686214.db2.gz ODDVCAGZMYHIMT-GFCCVEGCSA-N -1 0 378.429 0.437 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnc2c(c1)CCCC2)[C@@H](C)C(=O)[O-] ZINC000422671536 1194686262 /nfs/dbraw/zinc/68/62/62/1194686262.db2.gz NSZGVJQNGIVHEM-NSHDSACASA-N -1 0 376.413 0.337 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(Cl)ccc1N(C)C)[C@@H](C)C(=O)[O-] ZINC000422671553 1194686362 /nfs/dbraw/zinc/68/63/62/1194686362.db2.gz NWOVMNUWXCHXGI-JTQLQIEISA-N -1 0 398.847 0.782 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCCO2)[C@H](C)C(=O)[O-] ZINC000422672491 1194686408 /nfs/dbraw/zinc/68/64/08/1194686408.db2.gz QLEQVZVVTWSKSV-LLVKDONJSA-N -1 0 377.397 0.388 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1c(F)cc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000422674004 1194686757 /nfs/dbraw/zinc/68/67/57/1194686757.db2.gz VIEXXOATLXFFEX-ZETCQYMHSA-N -1 0 375.303 0.480 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1C[C@H](C)Oc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000422673967 1194686808 /nfs/dbraw/zinc/68/68/08/1194686808.db2.gz VCQZPDRACWWEGP-RYUDHWBXSA-N -1 0 377.397 0.238 20 0 GCADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000422674616 1194687006 /nfs/dbraw/zinc/68/70/06/1194687006.db2.gz AMEFXBKSTMWNNW-AWEZNQCLSA-N -1 0 378.303 0.994 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c(C)c1 ZINC000422674209 1194687124 /nfs/dbraw/zinc/68/71/24/1194687124.db2.gz VXVUGOUORXGFJT-GFCCVEGCSA-N -1 0 379.413 0.770 20 0 GCADRM COc1ncc(C)cc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422675487 1194687132 /nfs/dbraw/zinc/68/71/32/1194687132.db2.gz BUCNCBIACKEFNX-WCQYABFASA-N -1 0 392.412 0.163 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(C2CCCC2)nn1C)[C@@H](C)C(=O)[O-] ZINC000422675161 1194687218 /nfs/dbraw/zinc/68/72/18/1194687218.db2.gz XXMUIJVHDFEUOI-NSHDSACASA-N -1 0 393.444 0.454 20 0 GCADRM CCCc1csc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000422674522 1194687245 /nfs/dbraw/zinc/68/72/45/1194687245.db2.gz AEYHVOXSGCNFRB-NWDGAFQWSA-N -1 0 396.469 0.860 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OCC1CC1)[C@@H](C)C(=O)[O-] ZINC000422675498 1194687478 /nfs/dbraw/zinc/68/74/78/1194687478.db2.gz YRTKTTBITPHBQA-LBPRGKRZSA-N -1 0 391.424 0.852 20 0 GCADRM CCOc1ncccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422676515 1194687541 /nfs/dbraw/zinc/68/75/41/1194687541.db2.gz DVXXDKWFFAFXTN-CHWSQXEVSA-N -1 0 392.412 0.245 20 0 GCADRM CCOc1ncccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422676517 1194687549 /nfs/dbraw/zinc/68/75/49/1194687549.db2.gz DVXXDKWFFAFXTN-QWHCGFSZSA-N -1 0 392.412 0.245 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000422676843 1194687597 /nfs/dbraw/zinc/68/75/97/1194687597.db2.gz FYLIHJTYTPTMKC-CHWSQXEVSA-N -1 0 383.351 0.730 20 0 GCADRM COc1cc(NC(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000422675333 1194687638 /nfs/dbraw/zinc/68/76/38/1194687638.db2.gz WHQZALOTMYKVMD-ZDUSSCGKSA-N -1 0 384.410 0.503 20 0 GCADRM COc1ccccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422677705 1194687862 /nfs/dbraw/zinc/68/78/62/1194687862.db2.gz KJHUZKNMYBQASR-GXTWGEPZSA-N -1 0 377.397 0.460 20 0 GCADRM CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422677568 1194687906 /nfs/dbraw/zinc/68/79/06/1194687906.db2.gz JTVIWLHTLMVTQI-SMDDNHRTSA-N -1 0 393.444 0.308 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1=O ZINC000422679029 1194687945 /nfs/dbraw/zinc/68/79/45/1194687945.db2.gz RABPAPUJQODYFP-HIFRSBDPSA-N -1 0 390.440 0.517 20 0 GCADRM COc1cccc(C)c1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422678050 1194687991 /nfs/dbraw/zinc/68/79/91/1194687991.db2.gz MAHSUWKKQKHEHN-WFASDCNBSA-N -1 0 391.424 0.768 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000422677225 1194688010 /nfs/dbraw/zinc/68/80/10/1194688010.db2.gz HTNISTPZMPYTJU-KGLIPLIRSA-N -1 0 379.388 0.899 20 0 GCADRM COc1cc(C)ccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422677216 1194688109 /nfs/dbraw/zinc/68/81/09/1194688109.db2.gz HSQHWDIQKCIANI-DZGCQCFKSA-N -1 0 391.424 0.768 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc(C3CC3)n2)C1=O ZINC000422678651 1194688290 /nfs/dbraw/zinc/68/82/90/1194688290.db2.gz ORZGONZFMBXRRS-DZGCQCFKSA-N -1 0 388.424 0.724 20 0 GCADRM Cc1c(Cl)cncc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422678305 1194688319 /nfs/dbraw/zinc/68/83/19/1194688319.db2.gz NEUJYNPPMXEKNL-DGCLKSJQSA-N -1 0 396.831 0.808 20 0 GCADRM Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679079 1194688336 /nfs/dbraw/zinc/68/83/36/1194688336.db2.gz RISPEPZLESYMRX-OCCSQVGLSA-N -1 0 376.413 0.463 20 0 GCADRM CCCc1cc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n(C)n1 ZINC000422678534 1194688364 /nfs/dbraw/zinc/68/83/64/1194688364.db2.gz OIWBMWAWSSRTPO-GXTWGEPZSA-N -1 0 393.444 0.137 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCO3)C1=O ZINC000422679160 1194688615 /nfs/dbraw/zinc/68/86/15/1194688615.db2.gz RYLNGYQSUVGSOP-DZGCQCFKSA-N -1 0 389.408 0.386 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1=O ZINC000422679492 1194688641 /nfs/dbraw/zinc/68/86/41/1194688641.db2.gz UUGRCSXJNMMZLB-YPMHNXCESA-N -1 0 383.351 0.730 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000422680129 1194688649 /nfs/dbraw/zinc/68/86/49/1194688649.db2.gz YFCSSXONAKYYSH-HIFRSBDPSA-N -1 0 386.408 0.933 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CCO3)C1=O ZINC000422679163 1194688683 /nfs/dbraw/zinc/68/86/83/1194688683.db2.gz RYLNGYQSUVGSOP-ZFWWWQNUSA-N -1 0 389.408 0.386 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C)n1 ZINC000422679732 1194688813 /nfs/dbraw/zinc/68/88/13/1194688813.db2.gz WDPYGVZXWPOLKU-TZMCWYRMSA-N -1 0 392.412 0.163 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000422697716 1194689114 /nfs/dbraw/zinc/68/91/14/1194689114.db2.gz VVFWKFPBWRQEKM-NEPJUHHUSA-N -1 0 395.843 0.755 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000422694440 1194689198 /nfs/dbraw/zinc/68/91/98/1194689198.db2.gz SZKPXTBJCUILIH-STQMWFEESA-N -1 0 391.424 0.661 20 0 GCADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1F ZINC000422694722 1194689238 /nfs/dbraw/zinc/68/92/38/1194689238.db2.gz OIVBFKYMNKGSAQ-SMDDNHRTSA-N -1 0 393.415 0.549 20 0 GCADRM C[C@H](NC(=O)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000422695609 1194689261 /nfs/dbraw/zinc/68/92/61/1194689261.db2.gz QBZBMQPYAFICOR-MDZLAQPJSA-N -1 0 397.453 0.080 20 0 GCADRM Cc1ccc(C(=O)NCCNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1F ZINC000422694719 1194689270 /nfs/dbraw/zinc/68/92/70/1194689270.db2.gz OIVBFKYMNKGSAQ-BXUZGUMPSA-N -1 0 393.415 0.549 20 0 GCADRM Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C ZINC000422696340 1194689276 /nfs/dbraw/zinc/68/92/76/1194689276.db2.gz XCEFWTRVTDNATN-BXKDBHETSA-N -1 0 397.453 0.459 20 0 GCADRM COc1cc(OC)c(OC)cc1CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000422697847 1194689283 /nfs/dbraw/zinc/68/92/83/1194689283.db2.gz WLRJSHZIVVQMFA-AAEUAGOBSA-N -1 0 394.424 0.898 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000422699520 1194689469 /nfs/dbraw/zinc/68/94/69/1194689469.db2.gz DLODKYZYTYLFOS-KBXIAJHMSA-N -1 0 379.457 0.463 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCN2CCc3ccccc3C2=O)C1 ZINC000422699077 1194689624 /nfs/dbraw/zinc/68/96/24/1194689624.db2.gz CKSIHAKHBHUGOW-DZGCQCFKSA-N -1 0 387.436 0.370 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 ZINC000422700503 1194689637 /nfs/dbraw/zinc/68/96/37/1194689637.db2.gz CBTYWBLGZDEFNR-OCCSQVGLSA-N -1 0 393.415 0.170 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCCN2CCc3ccccc3C2=O)C1 ZINC000422699078 1194689700 /nfs/dbraw/zinc/68/97/00/1194689700.db2.gz CKSIHAKHBHUGOW-HIFRSBDPSA-N -1 0 387.436 0.370 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000422699521 1194689702 /nfs/dbraw/zinc/68/97/02/1194689702.db2.gz DLODKYZYTYLFOS-TUVASFSCSA-N -1 0 379.457 0.463 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000422703992 1194689911 /nfs/dbraw/zinc/68/99/11/1194689911.db2.gz OKBJDUIVJIBPBL-VWYCJHECSA-N -1 0 393.362 0.225 20 0 GCADRM 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382.432 0.184 20 0 GCADRM C[C@@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144870 952173827 /nfs/dbraw/zinc/17/38/27/952173827.db2.gz YSFCVICBBRIQRA-HNNXBMFYSA-N -1 0 382.375 0.057 20 0 GCADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575144954 952175807 /nfs/dbraw/zinc/17/58/07/952175807.db2.gz ZOOBWPJMIUJFBD-YGRLFVJLSA-N -1 0 382.403 0.816 20 0 GCADRM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575145111 952178117 /nfs/dbraw/zinc/17/81/17/952178117.db2.gz QGWKGEXEYYTLCB-JTQLQIEISA-N -1 0 384.448 0.672 20 0 GCADRM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575145169 952179035 /nfs/dbraw/zinc/17/90/35/952179035.db2.gz RPWIYSNVLZSATR-MRVPVSSYSA-N -1 0 376.812 0.038 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC([C@H]3CCOC3)C2)C1 ZINC001602893346 971810238 /nfs/dbraw/zinc/81/02/38/971810238.db2.gz TZMDRRLPXRETLH-SGTLLEGYSA-N -1 0 384.429 0.572 20 0 GCADRM 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C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165653 952311447 /nfs/dbraw/zinc/31/14/47/952311447.db2.gz QISKPXYYZWKKJN-ZCFIWIBFSA-N -1 0 382.841 0.678 20 0 GCADRM C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575166264 952321723 /nfs/dbraw/zinc/32/17/23/952321723.db2.gz UGQJNNSLZZAECN-HTQZYQBOSA-N -1 0 387.853 0.651 20 0 GCADRM O=C([O-])c1c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)nc2n1CCOC2 ZINC001595206310 952328191 /nfs/dbraw/zinc/32/81/91/952328191.db2.gz GLZSWYHTARUUEF-QMMMGPOBSA-N -1 0 390.318 0.851 20 0 GCADRM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001602902632 971826623 /nfs/dbraw/zinc/82/66/23/971826623.db2.gz FABUAPDUDJWQLV-DIFFPNOSSA-N -1 0 379.417 0.882 20 0 GCADRM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)c1cn(CC(=O)[O-])nn1)C2 ZINC001602902634 971826793 /nfs/dbraw/zinc/82/67/93/971826793.db2.gz FABUAPDUDJWQLV-PIGZYNQJSA-N -1 0 379.417 0.882 20 0 GCADRM C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 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0.625 20 0 GCADRM CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c1 ZINC001593802285 954857991 /nfs/dbraw/zinc/85/79/91/954857991.db2.gz WUVODCSKRPPHTC-VFZGTOFNSA-N -1 0 388.829 0.421 20 0 GCADRM CC(C)CC(=O)N1CCC(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001603002783 972050333 /nfs/dbraw/zinc/05/03/33/972050333.db2.gz KKQNVUVPQHXJBL-HNNXBMFYSA-N -1 0 396.488 0.788 20 0 GCADRM O=C([O-])C1CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 ZINC001594942215 954902392 /nfs/dbraw/zinc/90/23/92/954902392.db2.gz BMNQKAJCDNHJSH-UHFFFAOYSA-N -1 0 387.845 0.679 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702618988 954904497 /nfs/dbraw/zinc/90/44/97/954904497.db2.gz KMWWCYFTAWDEFD-DOTOQJQBSA-N -1 0 383.470 0.007 20 0 GCADRM COC(=O)[C@@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccc(C)cc1 ZINC001593808765 954920219 /nfs/dbraw/zinc/92/02/19/954920219.db2.gz WRRQDUKNWYWDNK-AWEZNQCLSA-N -1 0 397.449 0.647 20 0 GCADRM COC(=O)[C@@H](CNC(=O)c1cccn(CC(=O)[O-])c1=O)Cc1cccc(F)c1 ZINC001593809992 954925405 /nfs/dbraw/zinc/92/54/05/954925405.db2.gz DNBFHPAJYDKILU-CYBMUJFWSA-N -1 0 390.367 0.834 20 0 GCADRM COC(=O)[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(OC)cc1 ZINC001593809978 954925667 /nfs/dbraw/zinc/92/56/67/954925667.db2.gz DJPGYVGVSZUTIR-DZGCQCFKSA-N -1 0 378.381 0.349 20 0 GCADRM COC(=O)[C@H](O)C1CCN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001593810395 954930459 /nfs/dbraw/zinc/93/04/59/954930459.db2.gz FBGNFILHUUSLMB-RYTBJUFESA-N -1 0 384.429 0.354 20 0 GCADRM COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1cc(C)cc(C)c1 ZINC001593810780 954935027 /nfs/dbraw/zinc/93/50/27/954935027.db2.gz KELWIYXUXLKBBI-HOCLYGCPSA-N -1 0 376.409 0.957 20 0 GCADRM COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccc2c(c1)CCO2 ZINC001593811030 954938696 /nfs/dbraw/zinc/93/86/96/954938696.db2.gz MBNOFEVKBODJIA-BBRMVZONSA-N -1 0 390.392 0.275 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC000706079362 954943454 /nfs/dbraw/zinc/94/34/54/954943454.db2.gz KOYLHFLPHSWMND-UHFFFAOYSA-N -1 0 379.482 0.846 20 0 GCADRM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CCS(=O)(=O)CC(=O)[O-] ZINC001593812127 954955386 /nfs/dbraw/zinc/95/53/86/954955386.db2.gz YDUQSUCINPOBPR-CYBMUJFWSA-N -1 0 383.344 0.749 20 0 GCADRM COC(=O)[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)c1ccc2c(c1)CCO2 ZINC001593812200 954957248 /nfs/dbraw/zinc/95/72/48/954957248.db2.gz ZGMYDNIOLUAOCE-INIZCTEOSA-N -1 0 386.360 0.512 20 0 GCADRM O=C([O-])[C@@H]1CN(C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC001594953847 954969794 /nfs/dbraw/zinc/96/97/94/954969794.db2.gz PSRRSVWEJYUHIM-LPHOPBHVSA-N -1 0 378.425 0.936 20 0 GCADRM CCC(CC)(CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)C(=O)[O-] ZINC001589481752 954981771 /nfs/dbraw/zinc/98/17/71/954981771.db2.gz MESBRFVQXNECET-CMPLNLGQSA-N -1 0 392.499 0.783 20 0 GCADRM COC(=O)C1([C@]2(O)CCCN(C(=O)NCC3(C(=O)[O-])CCOCC3)C2)CCC1 ZINC001593814349 954985847 /nfs/dbraw/zinc/98/58/47/954985847.db2.gz QZGFDYPRJDWMLR-IBGZPJMESA-N -1 0 398.456 0.748 20 0 GCADRM COC(=O)[C@]1(N2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)CC2)CCOC1 ZINC001593814748 954990859 /nfs/dbraw/zinc/99/08/59/954990859.db2.gz RIXFJRMWSBLVTO-IBGZPJMESA-N -1 0 376.409 0.783 20 0 GCADRM COC(=O)C1=CC[C@H](NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)C1 ZINC001593815967 955002429 /nfs/dbraw/zinc/00/24/29/955002429.db2.gz LRHADBXHXRLBNZ-MWDZPIOTSA-N -1 0 380.397 0.544 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001594959750 955002612 /nfs/dbraw/zinc/00/26/12/955002612.db2.gz DKYBMFKXFCYUTB-ZDUSSCGKSA-N -1 0 397.384 0.019 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC001594960056 955007157 /nfs/dbraw/zinc/00/71/57/955007157.db2.gz NMMFMKFGIXUDHA-LBPRGKRZSA-N -1 0 379.394 0.379 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC001594960201 955008462 /nfs/dbraw/zinc/00/84/62/955008462.db2.gz RWHZALIDGAROAI-MRVPVSSYSA-N -1 0 387.311 0.469 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC001594960209 955010064 /nfs/dbraw/zinc/01/00/64/955010064.db2.gz SILYTCWJCWBKEA-CHWSQXEVSA-N -1 0 375.443 0.063 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001594960211 955010172 /nfs/dbraw/zinc/01/01/72/955010172.db2.gz SILYTCWJCWBKEA-QWHCGFSZSA-N -1 0 375.443 0.063 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC001594960424 955011111 /nfs/dbraw/zinc/01/11/11/955011111.db2.gz XEFVJJSQTHJJSX-NSHDSACASA-N -1 0 377.369 0.408 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3CC1)C[C@@H]2C(=O)[O-] ZINC001593819277 955016330 /nfs/dbraw/zinc/01/63/30/955016330.db2.gz CNYKKPWMKXOUBF-LLFUWHRMSA-N -1 0 376.413 0.343 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C[C@@H]2C(=O)[O-] ZINC001593819490 955017914 /nfs/dbraw/zinc/01/79/14/955017914.db2.gz CSTXZLYRVWADPT-XQYJFSBTSA-N -1 0 375.443 0.168 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cnc(Oc2ccccc2)cn1 ZINC001594961883 955020397 /nfs/dbraw/zinc/02/03/97/955020397.db2.gz NWKLSXKPABWMKO-CYBMUJFWSA-N -1 0 377.378 0.593 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1sc(N2CCCC2)nc1Cl ZINC001594961935 955020704 /nfs/dbraw/zinc/02/07/04/955020704.db2.gz OSCXEUQRYGZKOR-MRVPVSSYSA-N -1 0 393.874 0.721 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccccc1OCC(N)=O)C[C@@H]2C(=O)[O-] ZINC001593819726 955022057 /nfs/dbraw/zinc/02/20/57/955022057.db2.gz LVQBUVOGSYAJGL-AGPLRWBTSA-N -1 0 390.392 0.277 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1C[C@H](C)n3ncnc31)C[C@@H]2C(=O)[O-] ZINC001593820196 955027626 /nfs/dbraw/zinc/02/76/26/955027626.db2.gz ACCBTVFSOIVSBN-WRXFPASFSA-N -1 0 377.401 0.579 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1csc(NC(C)=O)n1)C[C@H]2C(=O)[O-] ZINC001593820393 955029254 /nfs/dbraw/zinc/02/92/54/955029254.db2.gz QPJNEKPRRPYZJH-MAXPVNGDSA-N -1 0 381.410 0.828 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1csc(NC(C)=O)n1)C[C@@H]2C(=O)[O-] ZINC001593820391 955030281 /nfs/dbraw/zinc/03/02/81/955030281.db2.gz QPJNEKPRRPYZJH-IAZHFHGHSA-N -1 0 381.410 0.828 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)/C=C(/C)CN1CCOCC1)C[C@H]2C(=O)[O-] ZINC001593821437 955040506 /nfs/dbraw/zinc/04/05/06/955040506.db2.gz QXXQKAOJCVDNFO-TXGRGTACSA-N -1 0 380.441 0.377 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-] ZINC001593821262 955040995 /nfs/dbraw/zinc/04/09/95/955040995.db2.gz JRKVPPCLAFWKQA-BJCXPLBRSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CC(=O)N(CC3CC3)C1)C[C@@H]2C(=O)[O-] ZINC001593821546 955044198 /nfs/dbraw/zinc/04/41/98/955044198.db2.gz KZNGMNPAZJDFGT-IXVUQVCVSA-N -1 0 393.440 0.293 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C1C[C@@H]3COC[C@H](C1)C3=O)C[C@H]2C(=O)[O-] ZINC001593821864 955047229 /nfs/dbraw/zinc/04/72/29/955047229.db2.gz VWJKUMLQCIWMAR-PYIVNQTFSA-N -1 0 379.409 0.341 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCOC[C@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001593821813 955048148 /nfs/dbraw/zinc/04/81/48/955048148.db2.gz OQLUENPCAOWSPU-FMHYQEOESA-N -1 0 384.429 0.335 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCNC(=O)C(C)C)C[C@H]2C(=O)[O-] ZINC001593821825 955048185 /nfs/dbraw/zinc/04/81/85/955048185.db2.gz OUPDAUPOGCOYLM-XYEKJYRLSA-N -1 0 383.445 0.444 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CCC(=O)c1cnn(C)c1)C[C@@H]2C(=O)[O-] ZINC001593821924 955048609 /nfs/dbraw/zinc/04/86/09/955048609.db2.gz XSWNKARJEMANLR-NOBQPIJMSA-N -1 0 377.397 0.495 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H](C)Cc1cnn(C)c1)C[C@@H]2C(=O)[O-] ZINC001593822231 955052225 /nfs/dbraw/zinc/05/22/25/955052225.db2.gz UNKMUSKWKDRPRG-FLLOGLIKSA-N -1 0 378.429 0.647 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCCO[C@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001593822447 955053990 /nfs/dbraw/zinc/05/39/90/955053990.db2.gz YJLKUBXZCGKECH-HPGRBHQUSA-N -1 0 384.429 0.477 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)COc1cccc(C=O)c1)C[C@@H]2C(=O)[O-] ZINC001593822424 955054410 /nfs/dbraw/zinc/05/44/10/955054410.db2.gz XOBBCDDBROZXPX-SHBDPFAUSA-N -1 0 375.377 0.990 20 0 GCADRM Cn1ncc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1I ZINC000386580173 972066197 /nfs/dbraw/zinc/06/61/97/972066197.db2.gz UACZPRDLCCFBHJ-UHFFFAOYSA-N -1 0 379.154 0.076 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CC[C@@H](C(=O)OC)C1)C[C@H]2C(=O)[O-] ZINC001593824393 955077393 /nfs/dbraw/zinc/07/73/93/955077393.db2.gz STZNVXQLLFWTEK-XSXAOBSASA-N -1 0 382.413 0.624 20 0 GCADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cn(CC(C)C)cn1)C[C@H]2C(=O)[O-] ZINC001593825344 955100592 /nfs/dbraw/zinc/10/05/92/955100592.db2.gz IXNBSZJJAUVFRT-JZLYGMAVSA-N -1 0 399.469 0.814 20 0 GCADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cn(CC(C)C)cn1)C[C@@H]2C(=O)[O-] ZINC001593825345 955100989 /nfs/dbraw/zinc/10/09/89/955100989.db2.gz IXNBSZJJAUVFRT-UIORMTCPSA-N -1 0 399.469 0.814 20 0 GCADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CCS2(=O)=O ZINC001593825510 955102266 /nfs/dbraw/zinc/10/22/66/955102266.db2.gz LJXRWHDUJSZITJ-JPWNVOSASA-N -1 0 387.454 0.503 20 0 GCADRM COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC1(C(=O)[O-])CCOCC1)CCO2 ZINC001593825526 955102294 /nfs/dbraw/zinc/10/22/94/955102294.db2.gz LNUMFABILFKWBM-XYEKJYRLSA-N -1 0 384.429 0.668 20 0 GCADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cnc3n1CCCC3)C[C@@H]2C(=O)[O-] ZINC001593827008 955111290 /nfs/dbraw/zinc/11/12/90/955111290.db2.gz ZCOJSAPJUHCVPQ-VMBJYNEYSA-N -1 0 397.453 0.494 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C[C@H]1C(=O)OC ZINC001593827693 955115471 /nfs/dbraw/zinc/11/54/71/955115471.db2.gz GPNIMONSLBYAHR-IYBSVWSJSA-N -1 0 398.412 0.002 20 0 GCADRM CC(C)C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C(=O)[O-] ZINC001603016027 972070708 /nfs/dbraw/zinc/07/07/08/972070708.db2.gz PPWXJDJWCOYRBV-JSGCOSHPSA-N -1 0 386.470 0.822 20 0 GCADRM CC[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)C(=O)[O-] ZINC001589527245 955130374 /nfs/dbraw/zinc/13/03/74/955130374.db2.gz WDDHCMDHMSXEJU-QWHCGFSZSA-N -1 0 379.479 0.179 20 0 GCADRM CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC001589527619 955132853 /nfs/dbraw/zinc/13/28/53/955132853.db2.gz AJYLTYQNXOVZIA-HNNXBMFYSA-N -1 0 383.470 0.954 20 0 GCADRM CC[C@@H](CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C(=O)[O-] ZINC001589528309 955136524 /nfs/dbraw/zinc/13/65/24/955136524.db2.gz IEKAGWGZZBGSAS-QWHCGFSZSA-N -1 0 389.408 0.804 20 0 GCADRM CC[C@H](CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C(=O)[O-] ZINC001589528305 955136763 /nfs/dbraw/zinc/13/67/63/955136763.db2.gz IEKAGWGZZBGSAS-CHWSQXEVSA-N -1 0 389.408 0.804 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c2ccc(F)cc2O1 ZINC001593829405 955136795 /nfs/dbraw/zinc/13/67/95/955136795.db2.gz WYTISZZOGRUYAI-FZMZJTMJSA-N -1 0 394.355 0.416 20 0 GCADRM CC[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC001589529125 955141828 /nfs/dbraw/zinc/14/18/28/955141828.db2.gz RQFRIVVVJPCOKR-GFCCVEGCSA-N -1 0 387.433 0.952 20 0 GCADRM COC(=O)CC1(CS(=O)(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC1 ZINC001593833149 955170134 /nfs/dbraw/zinc/17/01/34/955170134.db2.gz PWPHEQQVCDNAHP-STQMWFEESA-N -1 0 399.469 0.583 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@]1(Cc2ccccc2)CCN(C)C1=O ZINC001593835972 955181243 /nfs/dbraw/zinc/18/12/43/955181243.db2.gz NQNJKFWUHYBKGV-LJQANCHMSA-N -1 0 376.409 0.554 20 0 GCADRM CC[C@@H](CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)C(=O)[O-] ZINC001589550633 955212650 /nfs/dbraw/zinc/21/26/50/955212650.db2.gz ATDZGOQWTLOSET-NSHDSACASA-N -1 0 391.467 0.346 20 0 GCADRM CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000737586909 955220881 /nfs/dbraw/zinc/22/08/81/955220881.db2.gz GOJFYRVZOOCFBQ-UHFFFAOYSA-N -1 0 389.452 0.859 20 0 GCADRM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC000737782411 955226520 /nfs/dbraw/zinc/22/65/20/955226520.db2.gz PVALHCRYICAUQG-GFCCVEGCSA-N -1 0 397.453 0.132 20 0 GCADRM CCOc1ccccc1C(=O)NCCCC(=O)N1CCN(C(=O)C(=O)[O-])CC1 ZINC000737887434 955228335 /nfs/dbraw/zinc/22/83/35/955228335.db2.gz WKSAMSNHSVJNHL-UHFFFAOYSA-N -1 0 391.424 0.351 20 0 GCADRM COC1(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000738059468 955231527 /nfs/dbraw/zinc/23/15/27/955231527.db2.gz QQNNLARSPLIGIC-UHFFFAOYSA-N -1 0 399.444 0.158 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000738465390 955241749 /nfs/dbraw/zinc/24/17/49/955241749.db2.gz IWTXVNLFAFHPMC-AWEZNQCLSA-N -1 0 393.425 0.194 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000738516175 955244804 /nfs/dbraw/zinc/24/48/04/955244804.db2.gz CLBQRXQBNVJIOZ-CYBMUJFWSA-N -1 0 393.827 0.444 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000738516457 955245375 /nfs/dbraw/zinc/24/53/75/955245375.db2.gz DUZMEASMOLTBAW-UHFFFAOYSA-N -1 0 387.314 0.191 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000738517229 955245798 /nfs/dbraw/zinc/24/57/98/955245798.db2.gz JRUJVEVFNOXFEX-GFCCVEGCSA-N -1 0 397.840 0.898 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)c2cc3c([nH]c(=O)cc3C(F)(F)F)o2)CC1 ZINC000738517516 955246171 /nfs/dbraw/zinc/24/61/71/955246171.db2.gz SBQQDDRSQFKOKK-UHFFFAOYSA-N -1 0 387.270 0.921 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000738518578 955246974 /nfs/dbraw/zinc/24/69/74/955246974.db2.gz YRTVNEWIFOEGOF-UHFFFAOYSA-N -1 0 379.438 0.168 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000738539426 955247551 /nfs/dbraw/zinc/24/75/51/955247551.db2.gz FZGIUTSTQPYBOF-KBPBESRZSA-N -1 0 397.501 0.978 20 0 GCADRM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000738541429 955248630 /nfs/dbraw/zinc/24/86/30/955248630.db2.gz JPNILCMYOOVFKA-RISCZKNCSA-N -1 0 375.397 0.927 20 0 GCADRM COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000760103677 955264605 /nfs/dbraw/zinc/26/46/05/955264605.db2.gz SUVWWFCEJGAATO-QMAVJUDZSA-N -1 0 399.421 0.985 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCCCC(=O)[O-])cc1 ZINC000773225775 955324638 /nfs/dbraw/zinc/32/46/38/955324638.db2.gz IZTDMNLUFYCZBR-UHFFFAOYSA-N -1 0 385.442 0.637 20 0 GCADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000776520954 955327685 /nfs/dbraw/zinc/32/76/85/955327685.db2.gz JSGFKGSXCDOFKD-NEXMIYJRSA-N -1 0 385.394 0.558 20 0 GCADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC000776520955 955328762 /nfs/dbraw/zinc/32/87/62/955328762.db2.gz JSGFKGSXCDOFKD-QGOGUYACSA-N -1 0 385.394 0.558 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC001593838737 955331073 /nfs/dbraw/zinc/33/10/73/955331073.db2.gz MWBYICWKDNTQJK-UHFFFAOYSA-N -1 0 378.790 0.077 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1cnc2cc(OC)cc(OC)c2c1O ZINC001593839087 955336205 /nfs/dbraw/zinc/33/62/05/955336205.db2.gz KLPVXERZVVQVET-UHFFFAOYSA-N -1 0 392.364 0.635 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001593839183 955339011 /nfs/dbraw/zinc/33/90/11/955339011.db2.gz CNJSOEGMIIFHNT-CHWSQXEVSA-N -1 0 387.429 0.990 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)COc1cccc(N2CCCC2=O)c1 ZINC001593839494 955344038 /nfs/dbraw/zinc/34/40/38/955344038.db2.gz YDINEHMAJKMAMY-UHFFFAOYSA-N -1 0 378.381 0.669 20 0 GCADRM O=C(CN1CCSC1=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000788861220 955345279 /nfs/dbraw/zinc/34/52/79/955345279.db2.gz MKWNPBJQJGHOLD-JSGCOSHPSA-N -1 0 377.422 0.698 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001593839845 955349561 /nfs/dbraw/zinc/34/95/61/955349561.db2.gz ZKWIXBLNPFLHHQ-UHFFFAOYSA-N -1 0 386.404 0.975 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)c1[nH]ncc1I ZINC001593840448 955357300 /nfs/dbraw/zinc/35/73/00/955357300.db2.gz YPQFGGOZGIYDMJ-UHFFFAOYSA-N -1 0 381.126 0.104 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC001593840762 955358480 /nfs/dbraw/zinc/35/84/80/955358480.db2.gz GCDSMRZWFZARSD-UHFFFAOYSA-N -1 0 399.831 0.653 20 0 GCADRM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594506659 955362711 /nfs/dbraw/zinc/36/27/11/955362711.db2.gz OCSAGSVXWXZVCE-NOEPWBJOSA-N -1 0 386.426 0.686 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001593840963 955362974 /nfs/dbraw/zinc/36/29/74/955362974.db2.gz KYUHYWFSIQTFJI-UHFFFAOYSA-N -1 0 387.433 0.015 20 0 GCADRM Cc1cc(-n2c(C)cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])c2C)no1 ZINC000817870587 955372395 /nfs/dbraw/zinc/37/23/95/955372395.db2.gz BVXYOBXNYQPBNP-CYBMUJFWSA-N -1 0 381.410 0.714 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001593843406 955386467 /nfs/dbraw/zinc/38/64/67/955386467.db2.gz YURDKJCIYCIEIH-UHFFFAOYSA-N -1 0 376.362 0.423 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)C(=O)[O-] ZINC001593843953 955387451 /nfs/dbraw/zinc/38/74/51/955387451.db2.gz FGYGGTLYAJFJOL-VIFPVBQESA-N -1 0 377.802 0.880 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1c(I)cnn1C)C(=O)[O-] ZINC001593844109 955390677 /nfs/dbraw/zinc/39/06/77/955390677.db2.gz MQXWZHIWDRISBG-ZETCQYMHSA-N -1 0 395.153 0.161 20 0 GCADRM COC(=O)CCSc1ncccc1NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593844269 955393897 /nfs/dbraw/zinc/39/38/97/955393897.db2.gz DTPAHQIDMOPDTE-LLVKDONJSA-N -1 0 395.437 0.999 20 0 GCADRM COc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000818599230 955403865 /nfs/dbraw/zinc/40/38/65/955403865.db2.gz XPHLONJUVUGWSC-NSHDSACASA-N -1 0 385.442 0.291 20 0 GCADRM COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001593845080 955404708 /nfs/dbraw/zinc/40/47/08/955404708.db2.gz FAVLDFCSUILURY-NSHDSACASA-N -1 0 390.314 0.958 20 0 GCADRM COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001593845265 955405957 /nfs/dbraw/zinc/40/59/57/955405957.db2.gz PVAOBQVYIBWUCG-JOYOIKCWSA-N -1 0 381.410 0.363 20 0 GCADRM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001593845373 955407337 /nfs/dbraw/zinc/40/73/37/955407337.db2.gz VCVIEPAFFFEYAQ-GWCFXTLKSA-N -1 0 380.422 0.968 20 0 GCADRM Cn1c2[nH]c(CCC(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)nc2c(=O)[nH]c1=O ZINC001594515013 955409852 /nfs/dbraw/zinc/40/98/52/955409852.db2.gz APFTXIMOPYSZSB-LBPRGKRZSA-N -1 0 389.343 0.376 20 0 GCADRM COC(=O)CC[C@H](NC(=O)CNC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC001593846088 955415931 /nfs/dbraw/zinc/41/59/31/955415931.db2.gz NMQIIQGTSQMAOW-LBPRGKRZSA-N -1 0 389.364 0.594 20 0 GCADRM COC(=O)CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001593846377 955418999 /nfs/dbraw/zinc/41/89/99/955418999.db2.gz PTILSLFYMGFSQE-ZDUSSCGKSA-N -1 0 386.426 0.104 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC001593846837 955427737 /nfs/dbraw/zinc/42/77/37/955427737.db2.gz YYAOHOIEMCUGBX-LSDHHAIUSA-N -1 0 392.408 0.822 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)C(=O)[O-] ZINC001593848388 955435729 /nfs/dbraw/zinc/43/57/29/955435729.db2.gz FKJJZBJKINZZRB-AWEZNQCLSA-N -1 0 398.437 0.511 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1ccncc1NC(=O)C(F)(F)F)C(=O)[O-] ZINC001593848400 955436031 /nfs/dbraw/zinc/43/60/31/955436031.db2.gz GIPBYXIUUIASQF-QMMMGPOBSA-N -1 0 377.275 0.719 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1cn(C)nc1I)C(=O)[O-] ZINC001593848706 955439000 /nfs/dbraw/zinc/43/90/00/955439000.db2.gz OFRNFOGMQMIDND-ZETCQYMHSA-N -1 0 395.153 0.161 20 0 GCADRM C[C@@H](CN(C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)[O-] ZINC001589019587 955453646 /nfs/dbraw/zinc/45/36/46/955453646.db2.gz MTAJTHZYYWYFIL-RYUDHWBXSA-N -1 0 392.474 0.590 20 0 GCADRM C[C@@H](CN(C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)[O-] ZINC001589019586 955454307 /nfs/dbraw/zinc/45/43/07/955454307.db2.gz MTAJTHZYYWYFIL-NWDGAFQWSA-N -1 0 392.474 0.590 20 0 GCADRM Cn1c(=O)c2ccc(C(=O)OCC[N@@H+]3CCC[C@@H]3C(=O)[O-])cc2[n-]c1=S ZINC001594521549 955460227 /nfs/dbraw/zinc/46/02/27/955460227.db2.gz HGVHQBDXPPHWIP-CYBMUJFWSA-N -1 0 377.422 0.928 20 0 GCADRM Cn1cc(-c2nc(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)cs2)cn1 ZINC001594522912 955468576 /nfs/dbraw/zinc/46/85/76/955468576.db2.gz FVAHCSHRJDNVQC-NSHDSACASA-N -1 0 377.426 0.739 20 0 GCADRM COC(=O)COc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c(C)c1 ZINC001593852457 955471616 /nfs/dbraw/zinc/47/16/16/955471616.db2.gz SIMSYCUUSJWUFA-ZDUSSCGKSA-N -1 0 378.381 0.809 20 0 GCADRM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000820653507 955475350 /nfs/dbraw/zinc/47/53/50/955475350.db2.gz KQPJYNOFMJRJLX-OAHLLOKOSA-N -1 0 378.381 0.025 20 0 GCADRM COC(=O)Cc1ccccc1CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001593853464 955477425 /nfs/dbraw/zinc/47/74/25/955477425.db2.gz LLECIYOPRBLARX-UHFFFAOYSA-N -1 0 383.422 0.298 20 0 GCADRM COC(=O)Cc1ccc(NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1F ZINC001593854422 955485630 /nfs/dbraw/zinc/48/56/30/955485630.db2.gz IIMYVHMVPMZTSU-UHFFFAOYSA-N -1 0 387.385 0.759 20 0 GCADRM COC(=O)Cc1occc1C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001593855685 955498920 /nfs/dbraw/zinc/49/89/20/955498920.db2.gz OKWVJTACSMLWLY-NSHDSACASA-N -1 0 378.381 0.533 20 0 GCADRM COC(=O)N1CCC([C@H](C)NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001593856588 955507326 /nfs/dbraw/zinc/50/73/26/955507326.db2.gz KHHJHPMJBJCEIG-NSHDSACASA-N -1 0 390.458 0.249 20 0 GCADRM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001589028530 955509735 /nfs/dbraw/zinc/50/97/35/955509735.db2.gz IBNDILZTFBOIDY-SUHUHFCYSA-N -1 0 388.417 0.129 20 0 GCADRM Cn1cc(C(F)F)c(CNC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594529237 955512106 /nfs/dbraw/zinc/51/21/06/955512106.db2.gz CLICUPXETPXGIP-SNVBAGLBSA-N -1 0 399.398 0.965 20 0 GCADRM C[C@@H](CN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001589029069 955515345 /nfs/dbraw/zinc/51/53/45/955515345.db2.gz RQMGXVKFRIXEOU-QWRGUYRKSA-N -1 0 380.463 0.494 20 0 GCADRM COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593860274 955528045 /nfs/dbraw/zinc/52/80/45/955528045.db2.gz KTWQONZJUWEEIL-ZIAGYGMSSA-N -1 0 380.372 0.349 20 0 GCADRM COC(=O)[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)Oc1ccccc1 ZINC001593860415 955531738 /nfs/dbraw/zinc/53/17/38/955531738.db2.gz QLLNQKBIKFXTSS-CQSZACIVSA-N -1 0 386.426 0.238 20 0 GCADRM 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386.368 0.732 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC001606022177 973110633 /nfs/dbraw/zinc/11/06/33/973110633.db2.gz GBMUUPRGLHJHCX-DOTOQJQBSA-N -1 0 386.445 0.923 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC001606022370 973112047 /nfs/dbraw/zinc/11/20/47/973112047.db2.gz MXBBKGMNMDLRHG-AWEZNQCLSA-N -1 0 381.454 0.702 20 0 GCADRM Cc1ccc(O[C@@H]2CCN(C(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)C2)nc1 ZINC001605301364 973112652 /nfs/dbraw/zinc/11/26/52/973112652.db2.gz JHUGEBHDTSARFQ-CYBMUJFWSA-N -1 0 382.438 0.649 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C(=O)OC ZINC001604390515 973116961 /nfs/dbraw/zinc/11/69/61/973116961.db2.gz XTQTWUXVXBMVJB-CMPLNLGQSA-N -1 0 399.421 0.991 20 0 GCADRM Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC001605303149 973118284 /nfs/dbraw/zinc/11/82/84/973118284.db2.gz RGOORXWAWGZUSP-UHFFFAOYSA-N -1 0 384.454 0.999 20 0 GCADRM 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973157409 /nfs/dbraw/zinc/15/74/09/973157409.db2.gz RRYNRDRVBUBTHB-SNVBAGLBSA-N -1 0 381.186 0.680 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(OCC(F)(F)F)c1 ZINC001606057101 973174135 /nfs/dbraw/zinc/17/41/35/973174135.db2.gz MJVKOJKQZUGESG-LLVKDONJSA-N -1 0 381.328 0.952 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC001606057634 973175318 /nfs/dbraw/zinc/17/53/18/973175318.db2.gz QZTWJLFMWONQDB-SECBINFHSA-N -1 0 383.451 0.569 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001606057261 973175438 /nfs/dbraw/zinc/17/54/38/973175438.db2.gz ORJJIDAIJMVIOD-INIZCTEOSA-N -1 0 390.417 0.984 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001604422652 973194149 /nfs/dbraw/zinc/19/41/49/973194149.db2.gz UGOQOMDXVOTCTK-JTQLQIEISA-N -1 0 382.847 0.334 20 0 GCADRM CO[C@H](C(=O)[O-])C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001604424908 973213687 /nfs/dbraw/zinc/21/36/87/973213687.db2.gz 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386.426 0.582 20 0 GCADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)Cn1ncn2nccc2c1=O)C(=O)[O-] ZINC001592840234 979604374 /nfs/dbraw/zinc/60/43/74/979604374.db2.gz JWRIDMDKJHMZOB-KRWDZBQOSA-N -1 0 389.799 0.747 20 0 GCADRM CC[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)[O-] ZINC001595144467 979608636 /nfs/dbraw/zinc/60/86/36/979608636.db2.gz OHNDURPTKAKYGO-ZMZPIMSZSA-N -1 0 377.397 0.689 20 0 GCADRM CC[C@](CNC(=O)CNS(=O)(=O)c1cccnc1)(C(=O)[O-])c1ccccc1 ZINC001595144528 979609672 /nfs/dbraw/zinc/60/96/72/979609672.db2.gz RBLIHOWSGPDFAL-GOSISDBHSA-N -1 0 391.449 0.909 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)CSCC(=O)N1CCOCC1)C(=O)[O-] ZINC001592847618 979626075 /nfs/dbraw/zinc/62/60/75/979626075.db2.gz WJEPMTHOJARTTI-GOSISDBHSA-N -1 0 398.456 0.920 20 0 GCADRM CC[C@@](CNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)(C(=O)[O-])c1ccccc1 ZINC001595148280 979631629 /nfs/dbraw/zinc/63/16/29/979631629.db2.gz YVBBATIHRLHMLB-PBHICJAKSA-N -1 0 383.470 0.882 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC001592852864 979639470 /nfs/dbraw/zinc/63/94/70/979639470.db2.gz GNIAGQMVIWRRGQ-FZMZJTMJSA-N -1 0 382.438 0.582 20 0 GCADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592854691 979655382 /nfs/dbraw/zinc/65/53/82/979655382.db2.gz VWEATKKZLVTWII-SWHYSGLUSA-N -1 0 377.372 0.610 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)C(=O)[O-] ZINC001592854723 979656432 /nfs/dbraw/zinc/65/64/32/979656432.db2.gz WCJOIYBGYXHZNU-WMLDXEAASA-N -1 0 384.429 0.894 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NC[C@@]2(CCO)CCOC2)cc1)C(=O)[O-] ZINC001592854900 979657823 /nfs/dbraw/zinc/65/78/23/979657823.db2.gz XNUWXISWUYRNJF-BFUOFWGJSA-N -1 0 378.425 0.794 20 0 GCADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](OC)C[C@]2(C)C(=O)[O-])c1 ZINC000863414052 979663314 /nfs/dbraw/zinc/66/33/14/979663314.db2.gz WCBSNUFQLILREB-BDJLRTHQSA-N -1 0 387.410 0.735 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cc1)C(=O)[O-] ZINC001592858658 979674682 /nfs/dbraw/zinc/67/46/82/979674682.db2.gz SHNJGYMIWKQLGW-ZIAGYGMSSA-N -1 0 377.441 0.725 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(=O)[O-] ZINC001592860618 979692184 /nfs/dbraw/zinc/69/21/84/979692184.db2.gz KIPNMNKLOBTYBX-CYBMUJFWSA-N -1 0 398.485 0.906 20 0 GCADRM CC[C@](CNC(=O)c1ccc(S(N)(=O)=O)nc1)(C(=O)[O-])c1ccccc1 ZINC001595164239 979705572 /nfs/dbraw/zinc/70/55/72/979705572.db2.gz PEUUGUDJKFGPKG-QGZVFWFLSA-N -1 0 377.422 0.891 20 0 GCADRM CCN(CC)S(=O)(=O)N1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864125659 979725217 /nfs/dbraw/zinc/72/52/17/979725217.db2.gz ZNEDCBYPFCIGOF-WAYWQWQTSA-N -1 0 385.442 0.722 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001595172018 979739258 /nfs/dbraw/zinc/73/92/58/979739258.db2.gz URDVHRBYPMTCQZ-MLGOLLRUSA-N -1 0 391.490 0.106 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001595172924 979747551 /nfs/dbraw/zinc/74/75/51/979747551.db2.gz UXIWDUYDYTWLDE-GFCCVEGCSA-N -1 0 394.471 0.137 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595172942 979747558 /nfs/dbraw/zinc/74/75/58/979747558.db2.gz VEUMGNYSWJCEAF-BDAKNGLRSA-N -1 0 390.487 0.782 20 0 GCADRM C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001592886205 979773829 /nfs/dbraw/zinc/77/38/29/979773829.db2.gz ZZEJZJOSMSZQBE-SWHYSGLUSA-N -1 0 377.372 0.610 20 0 GCADRM Cc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1S(=O)(=O)N1CCOCC1 ZINC000864164092 979785773 /nfs/dbraw/zinc/78/57/73/979785773.db2.gz ZNUIDQFNDBWLCU-HNNXBMFYSA-N -1 0 394.449 0.919 20 0 GCADRM C[C@@H]1CN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC000864172241 979803664 /nfs/dbraw/zinc/80/36/64/979803664.db2.gz LASPDLTVUZTVHE-VLODSAPTSA-N -1 0 382.438 0.667 20 0 GCADRM C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001592906084 979842162 /nfs/dbraw/zinc/84/21/62/979842162.db2.gz KKUGRVMPUDJAFY-IAQYHMDHSA-N -1 0 377.422 0.519 20 0 GCADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864192568 979850247 /nfs/dbraw/zinc/85/02/47/979850247.db2.gz FSFILLOXVMMAKE-VIFPVBQESA-N -1 0 384.414 0.311 20 0 GCADRM CC[C@@](COC)(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC001595189971 979880117 /nfs/dbraw/zinc/88/01/17/979880117.db2.gz ZQKKEWASKCXZRH-BONVTDFDSA-N -1 0 376.406 0.489 20 0 GCADRM CC[C@](COC)(NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)[O-] ZINC001595193131 979884391 /nfs/dbraw/zinc/88/43/91/979884391.db2.gz FROZVRIJYUUDQU-LJQANCHMSA-N -1 0 391.424 0.321 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001592916478 979890363 /nfs/dbraw/zinc/89/03/63/979890363.db2.gz GZYZEMTTXBTOHC-LJQANCHMSA-N -1 0 384.392 0.919 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CNc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592917498 979894321 /nfs/dbraw/zinc/89/43/21/979894321.db2.gz PFPVOFFURPPNLB-MRXNPFEDSA-N -1 0 380.426 0.358 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CS(=O)(=O)CCCc1ccccc1)C(=O)[O-] ZINC001592917492 979894541 /nfs/dbraw/zinc/89/45/41/979894541.db2.gz OYFRODZVGVRMDQ-SFHVURJKSA-N -1 0 393.465 0.890 20 0 GCADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc(S(=O)(=O)N3CCSCC3)c[nH]1)C2 ZINC000864211126 979896515 /nfs/dbraw/zinc/89/65/15/979896515.db2.gz ZPDNHXKJQRXFDK-GDLVEWKHSA-N -1 0 399.494 0.735 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)[O-] ZINC001592917940 979898835 /nfs/dbraw/zinc/89/88/35/979898835.db2.gz WEYRZUNHZNGAEM-DMVWFOPNSA-N -1 0 395.485 0.568 20 0 GCADRM CC[C@@](COC)(NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C(=O)[O-] ZINC001595194491 979901329 /nfs/dbraw/zinc/90/13/29/979901329.db2.gz HGMLWSMXLJVSEF-HNNXBMFYSA-N -1 0 376.406 0.637 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CN1C(=O)COc2ccc(Cl)cc21)C(=O)[O-] ZINC001592918196 979902424 /nfs/dbraw/zinc/90/24/24/979902424.db2.gz ZZQJFZIRZRUFJZ-KRWDZBQOSA-N -1 0 392.799 0.922 20 0 GCADRM C[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC001592918366 979904071 /nfs/dbraw/zinc/90/40/71/979904071.db2.gz JFCLKMUIBRKRCE-HOCLYGCPSA-N -1 0 386.456 0.972 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001592918456 979905008 /nfs/dbraw/zinc/90/50/08/979905008.db2.gz KWSIBPGGDJHLIN-KSSFIOAISA-N -1 0 390.396 0.130 20 0 GCADRM CC[C@](COC)(NC(=O)c1cc(S(=O)(=O)NC)ccc1Cl)C(=O)[O-] ZINC001595194979 979908105 /nfs/dbraw/zinc/90/81/05/979908105.db2.gz VUTXTHAOKYJTQV-CQSZACIVSA-N -1 0 378.834 0.858 20 0 GCADRM CC[C@@](COC)(NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC001595195284 979911654 /nfs/dbraw/zinc/91/16/54/979911654.db2.gz ZRNVFIIJWJSFNS-LIRRHRJNSA-N -1 0 377.441 0.998 20 0 GCADRM CC[C@](COC)(NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC001595195681 979915921 /nfs/dbraw/zinc/91/59/21/979915921.db2.gz VXFSGZDVLUZBTD-MGPUTAFESA-N -1 0 397.516 0.953 20 0 GCADRM C[C@@](Cn1cccn1)(NCC(=O)NCc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC001592922763 979916688 /nfs/dbraw/zinc/91/66/88/979916688.db2.gz CITKOOAGJMEEKI-FQEVSTJZSA-N -1 0 399.451 0.759 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001595198427 979925826 /nfs/dbraw/zinc/92/58/26/979925826.db2.gz FZSQKWAFNMEKOS-CQSZACIVSA-N -1 0 394.471 0.095 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)[O-] ZINC001595198657 979928755 /nfs/dbraw/zinc/92/87/55/979928755.db2.gz KOXHZRQVQIXFMR-AWEZNQCLSA-N -1 0 379.456 0.638 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC001595198738 979930069 /nfs/dbraw/zinc/93/00/69/979930069.db2.gz MSHOUAXUYTYBAB-CQSZACIVSA-N -1 0 377.440 0.175 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C(=O)[O-] ZINC001592924911 979936036 /nfs/dbraw/zinc/93/60/36/979936036.db2.gz NJYQUMSASOABJQ-SFHVURJKSA-N -1 0 385.355 0.841 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)OC ZINC001595199200 979936719 /nfs/dbraw/zinc/93/67/19/979936719.db2.gz VYKSJTOEQCPTPR-OAHLLOKOSA-N -1 0 375.399 0.640 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC001592925307 979940883 /nfs/dbraw/zinc/94/08/83/979940883.db2.gz XYLQNPPGTULYED-MSOLQXFVSA-N -1 0 385.380 0.211 20 0 GCADRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@@](C)(Cn2cccn2)C(N)=O)cc1 ZINC001592926624 979949495 /nfs/dbraw/zinc/94/94/95/979949495.db2.gz UFPNTPVTQLFCCJ-KRWDZBQOSA-N -1 0 394.453 0.468 20 0 GCADRM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001595202027 979950598 /nfs/dbraw/zinc/95/05/98/979950598.db2.gz AHXJODARKSQPKU-UKRRQHHQSA-N -1 0 396.465 0.678 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC001595228631 980087001 /nfs/dbraw/zinc/08/70/01/980087001.db2.gz CNIGNYQKHCTOCZ-JQWIXIFHSA-N -1 0 378.303 0.907 20 0 GCADRM C[C@H](N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CC1)C(F)(F)F ZINC001592967560 980091672 /nfs/dbraw/zinc/09/16/72/980091672.db2.gz CQTJKJZCELYHBI-GRYCIOLGSA-N -1 0 379.379 0.651 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-])C(=O)N1CCOCC1 ZINC001595230337 980098393 /nfs/dbraw/zinc/09/83/93/980098393.db2.gz MSMSXPGHFIPAKC-SNVBAGLBSA-N -1 0 383.426 0.447 20 0 GCADRM C[C@H](N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1)C(F)(F)F ZINC001592969577 980099730 /nfs/dbraw/zinc/09/97/30/980099730.db2.gz UFJYUXPYJSTSPA-SDDRHHMPSA-N -1 0 379.379 0.651 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001595230842 980100115 /nfs/dbraw/zinc/10/01/15/980100115.db2.gz OIJXCTWZNLEUIU-IUCAKERBSA-N -1 0 380.323 0.459 20 0 GCADRM CC[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC001595230838 980100167 /nfs/dbraw/zinc/10/01/67/980100167.db2.gz OIJXCTWZNLEUIU-DTWKUNHWSA-N -1 0 380.323 0.459 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(N2CCOC2=O)cc1 ZINC001592969959 980103610 /nfs/dbraw/zinc/10/36/10/980103610.db2.gz AJVIHRKFKBPXOS-YPMHNXCESA-N -1 0 375.381 0.754 20 0 GCADRM 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COC(=O)[C@H]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)[C@@H](C(=O)[O-])C1 ZINC001598794580 996101290 /nfs/dbraw/zinc/10/12/90/996101290.db2.gz LICOBXKCIOFVBU-SWLSCSKDSA-N -1 0 399.403 0.821 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598794911 996103192 /nfs/dbraw/zinc/10/31/92/996103192.db2.gz MHTJPPHSLTVJOH-TZMCWYRMSA-N -1 0 388.376 0.818 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598795031 996104485 /nfs/dbraw/zinc/10/44/85/996104485.db2.gz VYFSXKOAEONIFP-NWDGAFQWSA-N -1 0 380.401 0.106 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)Cc2nnc(C3CCOCC3)[nH]2)[C@@H](C(=O)[O-])C1 ZINC001598795035 996104496 /nfs/dbraw/zinc/10/44/96/996104496.db2.gz VYFSXKOAEONIFP-VXGBXAGGSA-N -1 0 380.401 0.106 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001598797147 996116242 /nfs/dbraw/zinc/11/62/42/996116242.db2.gz CIDKYWJEUAYQKQ-SWLSCSKDSA-N -1 0 398.437 0.980 20 0 GCADRM 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COC(=O)[C@H]1CCN(S(=O)(=O)CCc2ccc(OC)cc2)[C@@H](C(=O)[O-])C1 ZINC001598799939 996131651 /nfs/dbraw/zinc/13/16/51/996131651.db2.gz QLHORUHBRADLSN-DZGCQCFKSA-N -1 0 385.438 0.906 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)[C@H](C(=O)OC)C1 ZINC001598800271 996133841 /nfs/dbraw/zinc/13/38/41/996133841.db2.gz SLRFFZYQKPPCDC-RISCZKNCSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc32)[C@H](C(=O)[O-])C1 ZINC001598800286 996133942 /nfs/dbraw/zinc/13/39/42/996133942.db2.gz SOKUWTVVHJFXOB-SCZZXKLOSA-N -1 0 385.423 0.718 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)[C@H](C(=O)[O-])C1 ZINC001598801494 996141877 /nfs/dbraw/zinc/14/18/77/996141877.db2.gz ZEAUGQQQHXOBDG-MNOVXSKESA-N -1 0 376.818 0.903 20 0 GCADRM C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1)N1CCOCC1 ZINC001593698670 996166827 /nfs/dbraw/zinc/16/68/27/996166827.db2.gz ZVOYGHVCZNBRPV-JGGQBBKZSA-N -1 0 375.425 0.855 20 0 GCADRM COC(=O)[C@H]1CCc2sc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3=O)nc2C1 ZINC001598804181 996168437 /nfs/dbraw/zinc/16/84/37/996168437.db2.gz SSSDZSQNYRYTEO-UWVGGRQHSA-N -1 0 395.437 0.683 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593699007 996168598 /nfs/dbraw/zinc/16/85/98/996168598.db2.gz KSWBQGICTULZJX-BXUZGUMPSA-N -1 0 397.453 0.177 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2c2ccsc2)C[C@@H]1C(=O)[O-] ZINC001598804447 996171043 /nfs/dbraw/zinc/17/10/43/996171043.db2.gz WBXSIEOVGCYZKO-XQQFMLRXSA-N -1 0 380.422 0.744 20 0 GCADRM C[C@H](c1cccc(NC(=O)C(=O)NCCOCC(=O)[O-])c1)N1CCOCC1 ZINC001593703761 996181447 /nfs/dbraw/zinc/18/14/47/996181447.db2.gz UPYQMVOXCNGGCG-CYBMUJFWSA-N -1 0 379.413 0.236 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593704000 996182071 /nfs/dbraw/zinc/18/20/71/996182071.db2.gz WQPSBMMGBQOITQ-MPKXVKKWSA-N -1 0 385.442 0.526 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001593704042 996183108 /nfs/dbraw/zinc/18/31/08/996183108.db2.gz XYBATCCHKWRQET-SNVBAGLBSA-N -1 0 399.450 0.809 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@H]1C(=O)[O-] ZINC001598805616 996183330 /nfs/dbraw/zinc/18/33/30/996183330.db2.gz FFZRTTBPPPCOFZ-IJLUTSLNSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)C[C@@H]1C(=O)[O-] ZINC001598805618 996183368 /nfs/dbraw/zinc/18/33/68/996183368.db2.gz FFZRTTBPPPCOFZ-QJPTWQEYSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598805746 996184711 /nfs/dbraw/zinc/18/47/11/996184711.db2.gz DIQIYBHNTIUEMN-XJFOESAGSA-N -1 0 385.461 0.389 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(OC)cc(OC)cc2OC)C[C@H]1C(=O)[O-] ZINC001598805804 996185271 /nfs/dbraw/zinc/18/52/71/996185271.db2.gz ASBAPMPQMCHADZ-OLZOCXBDSA-N -1 0 396.396 0.728 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(OC)cc(OC)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598805808 996185389 /nfs/dbraw/zinc/18/53/89/996185389.db2.gz ASBAPMPQMCHADZ-STQMWFEESA-N -1 0 396.396 0.728 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598805839 996185540 /nfs/dbraw/zinc/18/55/40/996185540.db2.gz AYBNEBJOHDNMTI-STQMWFEESA-N -1 0 399.425 0.073 20 0 GCADRM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593704931 996186332 /nfs/dbraw/zinc/18/63/32/996186332.db2.gz FCHFBYMMHIRLFG-ZBFHGGJFSA-N -1 0 389.452 0.988 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2cnc3c(Cl)cnn3c2)C[C@@H]1C(=O)[O-] ZINC001598806438 996191554 /nfs/dbraw/zinc/19/15/54/996191554.db2.gz CVCYQWYBGHKJLS-WDEREUQCSA-N -1 0 395.803 0.440 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2cnc3c(Cl)cnn3c2)C[C@H]1C(=O)[O-] ZINC001598806436 996191664 /nfs/dbraw/zinc/19/16/64/996191664.db2.gz CVCYQWYBGHKJLS-MNOVXSKESA-N -1 0 395.803 0.440 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598806697 996194392 /nfs/dbraw/zinc/19/43/92/996194392.db2.gz ISXFKNIZSVBHAT-RRFJBIMHSA-N -1 0 397.449 0.537 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC001598807312 996199051 /nfs/dbraw/zinc/19/90/51/996199051.db2.gz LWNCFDXMZGLFJL-TVYUQYBPSA-N -1 0 382.800 0.791 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C[C@@H]1C(=O)[O-] ZINC001598807335 996199724 /nfs/dbraw/zinc/19/97/24/996199724.db2.gz LYGQBSBRDIGMAU-HRCADAONSA-N -1 0 388.420 0.676 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCn2cc(Br)cn2)C[C@H]1C(=O)[O-] ZINC001598807449 996200147 /nfs/dbraw/zinc/20/01/47/996200147.db2.gz IZPBYCFQEMNFBZ-ZJUUUORDSA-N -1 0 389.206 0.161 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)C[C@H]1C(=O)[O-] ZINC001598807597 996201309 /nfs/dbraw/zinc/20/13/09/996201309.db2.gz BNJRIPPJGLYMCD-RBSFLKMASA-N -1 0 389.408 0.475 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCOc2ccccc2OC)C[C@@H]1C(=O)[O-] ZINC001598807621 996202097 /nfs/dbraw/zinc/20/20/97/996202097.db2.gz JCGJEJOUKPITDG-STQMWFEESA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(=O)c2cccc(F)c2)C[C@H]1C(=O)[O-] ZINC001598807734 996202644 /nfs/dbraw/zinc/20/26/44/996202644.db2.gz KCNSYAHYNTVSIC-KGLIPLIRSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@@H]1C(=O)[O-] ZINC001598807681 996202716 /nfs/dbraw/zinc/20/27/16/996202716.db2.gz JNIIFFKDNUOVSU-UONOGXRCSA-N -1 0 391.428 0.400 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598807811 996203141 /nfs/dbraw/zinc/20/31/41/996203141.db2.gz NJBHYTVSRMRSEX-IVZWLZJFSA-N -1 0 394.371 0.867 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)C[C@@H]1C(=O)[O-] ZINC001598807915 996204561 /nfs/dbraw/zinc/20/45/61/996204561.db2.gz CDTBWLUGGXMZKG-KBPBESRZSA-N -1 0 388.424 0.768 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)C[C@H]1C(=O)[O-] ZINC001598807920 996204757 /nfs/dbraw/zinc/20/47/57/996204757.db2.gz CDTBWLUGGXMZKG-KGLIPLIRSA-N -1 0 388.424 0.768 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[S@](=O)Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598808078 996205642 /nfs/dbraw/zinc/20/56/42/996205642.db2.gz KXOSOVPMPIUGKZ-BGPVNYDRSA-N -1 0 382.438 0.451 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598808153 996206408 /nfs/dbraw/zinc/20/64/08/996206408.db2.gz OCCNXNMHMNXSFA-OPRDCNLKSA-N -1 0 396.318 0.482 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C(=O)[O-] ZINC001598808222 996207071 /nfs/dbraw/zinc/20/70/71/996207071.db2.gz MIEZGWQZPPEFEJ-HUUCEWRRSA-N -1 0 375.356 0.886 20 0 GCADRM C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001593710013 996207469 /nfs/dbraw/zinc/20/74/69/996207469.db2.gz IMUHPRIGVQOJQE-LLVKDONJSA-N -1 0 398.379 0.343 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598808279 996207581 /nfs/dbraw/zinc/20/75/81/996207581.db2.gz DORYQTSCTDNZQS-CHWSQXEVSA-N -1 0 391.376 0.753 20 0 GCADRM C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CN2CC(n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001593710014 996207981 /nfs/dbraw/zinc/20/79/81/996207981.db2.gz IMUHPRIGVQOJQE-NSHDSACASA-N -1 0 398.379 0.343 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)C[C@@H]1C(=O)[O-] ZINC001598808361 996208116 /nfs/dbraw/zinc/20/81/16/996208116.db2.gz OVYYQQZYNCWKOM-QLFBSQMISA-N -1 0 398.419 0.840 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CNC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598808497 996209444 /nfs/dbraw/zinc/20/94/44/996209444.db2.gz MNWMOYUGXIRPDU-HUUCEWRRSA-N -1 0 377.397 0.338 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598809091 996214779 /nfs/dbraw/zinc/21/47/79/996214779.db2.gz PHOSKSNMHJSNID-MJBXVCDLSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c2ccc(F)cc2O1 ZINC001598809206 996215688 /nfs/dbraw/zinc/21/56/88/996215688.db2.gz GVZNUVPZMZODEE-SMDDNHRTSA-N -1 0 394.355 0.416 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(C3(C)OCCO3)cc2)C[C@@H]1C(=O)[O-] ZINC001598809356 996217236 /nfs/dbraw/zinc/21/72/36/996217236.db2.gz PZCYPUUEWRHAPA-GJZGRUSLSA-N -1 0 392.408 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809446 996217756 /nfs/dbraw/zinc/21/77/56/996217756.db2.gz SEHNRFVEQHUBDY-LEWSCRJBSA-N -1 0 383.422 0.526 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598810171 996224035 /nfs/dbraw/zinc/22/40/35/996224035.db2.gz VHVBXXFXARFHDD-BZUAXINKSA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)C[C@H]1C(=O)[O-] ZINC001598810273 996225663 /nfs/dbraw/zinc/22/56/63/996225663.db2.gz SUSASZGKKUFPAY-NEPJUHHUSA-N -1 0 390.458 0.249 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598810497 996227247 /nfs/dbraw/zinc/22/72/47/996227247.db2.gz LJEFRJJKQQCGRP-CHWSQXEVSA-N -1 0 384.429 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H]2COc3ccccc3O2)C[C@@H]1C(=O)[O-] ZINC001598810641 996228479 /nfs/dbraw/zinc/22/84/79/996228479.db2.gz UVQDHNHFTMAVGK-FRRDWIJNSA-N -1 0 378.381 0.732 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C[C@H]1C(=O)[O-] ZINC001598810733 996229328 /nfs/dbraw/zinc/22/93/28/996229328.db2.gz VCXMGTPUMARANV-IJLUTSLNSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)C[C@H]1C(=O)[O-] ZINC001598810741 996229382 /nfs/dbraw/zinc/22/93/82/996229382.db2.gz VFSRKRNMLSICKF-IJLUTSLNSA-N -1 0 384.335 0.784 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccccc2S(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598811489 996235594 /nfs/dbraw/zinc/23/55/94/996235594.db2.gz XAJCMSVCTYQMQB-CHWSQXEVSA-N -1 0 398.437 0.148 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(NC(C)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598811865 996238078 /nfs/dbraw/zinc/23/80/78/996238078.db2.gz XFSICNIOXYCULL-HUUCEWRRSA-N -1 0 377.397 0.703 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C[C@@H]1C(=O)[O-] ZINC001598811874 996238397 /nfs/dbraw/zinc/23/83/97/996238397.db2.gz ZZITVHNWIQEZPE-DMDPSCGWSA-N -1 0 382.438 0.835 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598811896 996238829 /nfs/dbraw/zinc/23/88/29/996238829.db2.gz XLNBJYFYKYVRFB-OLZOCXBDSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC001598812022 996239982 /nfs/dbraw/zinc/23/99/82/996239982.db2.gz YBXKNLYXJJRIIQ-NEPJUHHUSA-N -1 0 397.815 0.585 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598812270 996241887 /nfs/dbraw/zinc/24/18/87/996241887.db2.gz ZQLUMEVUMKDMIH-SDDRHHMPSA-N -1 0 387.433 0.805 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598813201 996248460 /nfs/dbraw/zinc/24/84/60/996248460.db2.gz FPFCKMHXOVSPSU-OLZOCXBDSA-N -1 0 376.369 0.554 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)C[C@@H]1C(=O)[O-] ZINC001598813208 996248872 /nfs/dbraw/zinc/24/88/72/996248872.db2.gz TZWJNZUDMWOEFJ-STQMWFEESA-N -1 0 387.392 0.620 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccccc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598813331 996249569 /nfs/dbraw/zinc/24/95/69/996249569.db2.gz UOOAKVOCBRLRIT-JKSUJKDBSA-N -1 0 390.436 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C(=O)[O-] ZINC001598813633 996251198 /nfs/dbraw/zinc/25/11/98/996251198.db2.gz VYCLKBQVKBCQQK-QWHCGFSZSA-N -1 0 395.408 0.977 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598814011 996253904 /nfs/dbraw/zinc/25/39/04/996253904.db2.gz BCDLLGPOHCRJNY-LSDHHAIUSA-N -1 0 391.380 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@H]1C(=O)[O-] ZINC001598814093 996254693 /nfs/dbraw/zinc/25/46/93/996254693.db2.gz HWRNWLGUAXKILA-LPWJVIDDSA-N -1 0 399.444 0.900 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598814103 996255161 /nfs/dbraw/zinc/25/51/61/996255161.db2.gz HWRNWLGUAXKILA-XQHKEYJVSA-N -1 0 399.444 0.900 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@@H]1C(=O)[O-] ZINC001598814140 996255295 /nfs/dbraw/zinc/25/52/95/996255295.db2.gz XMXIIHRKXJQYAM-UONOGXRCSA-N -1 0 394.449 0.999 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C[C@H]1C(=O)[O-] ZINC001598814270 996256385 /nfs/dbraw/zinc/25/63/85/996256385.db2.gz KAPKBBLAPCZMHA-OLZOCXBDSA-N -1 0 376.340 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC001598814481 996258216 /nfs/dbraw/zinc/25/82/16/996258216.db2.gz YLLLYYCMJUNVES-GJZGRUSLSA-N -1 0 389.408 0.087 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC001598814484 996258428 /nfs/dbraw/zinc/25/84/28/996258428.db2.gz YLLLYYCMJUNVES-LSDHHAIUSA-N -1 0 389.408 0.087 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)C[C@H]1C(=O)[O-] ZINC001598814552 996258697 /nfs/dbraw/zinc/25/86/97/996258697.db2.gz IYGJKQUPUUANSS-HUUCEWRRSA-N -1 0 375.381 0.886 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C[C@@H]1C(=O)[O-] ZINC001598815063 996262891 /nfs/dbraw/zinc/26/28/91/996262891.db2.gz FMGHFNIULGDWOL-NWDGAFQWSA-N -1 0 390.392 0.888 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)C[C@H]1C(=O)[O-] ZINC001598815183 996264528 /nfs/dbraw/zinc/26/45/28/996264528.db2.gz LNSAFIFKAHNHBL-HTQZYQBOSA-N -1 0 376.291 0.511 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598815935 996269919 /nfs/dbraw/zinc/26/99/19/996269919.db2.gz QLADAVBPEBYSDL-GARJFASQSA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)C[C@@H]1C(=O)[O-] ZINC001598816608 996277644 /nfs/dbraw/zinc/27/76/44/996277644.db2.gz SNRVJHGRAHSBOF-FIIQBIKZSA-N -1 0 377.393 0.420 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cnc(Br)cn2)C[C@@H]1C(=O)[O-] ZINC001598816747 996277981 /nfs/dbraw/zinc/27/79/81/996277981.db2.gz RMHUSPFWLBXFDV-DTWKUNHWSA-N -1 0 387.190 0.254 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)C[C@@H]1C(=O)[O-] ZINC001598817032 996281720 /nfs/dbraw/zinc/28/17/20/996281720.db2.gz UWMHGOQCDJIXLX-UWVGGRQHSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C(=O)[O-] ZINC001598817194 996283232 /nfs/dbraw/zinc/28/32/32/996283232.db2.gz SXRNSFRKWQBIRM-HZPDHXFCSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)C[C@@H]1C(=O)[O-] ZINC001598817677 996288878 /nfs/dbraw/zinc/28/88/78/996288878.db2.gz WGSRVJYPBVWLQT-QPSCCSFWSA-N -1 0 377.397 0.817 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC001598817757 996289491 /nfs/dbraw/zinc/28/94/91/996289491.db2.gz IGQQARFQYBTUGF-JTQLQIEISA-N -1 0 390.845 0.764 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccnc2OCC(F)F)C[C@@H]1C(=O)[O-] ZINC001598817944 996291521 /nfs/dbraw/zinc/29/15/21/996291521.db2.gz WXKXMIYKGAXXDE-WDEREUQCSA-N -1 0 387.339 0.741 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1C(=O)[O-] ZINC001598818404 996296635 /nfs/dbraw/zinc/29/66/35/996296635.db2.gz XYPCVTYXTHSSLB-MNOVXSKESA-N -1 0 379.344 0.449 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)nn2C)C[C@@H]1C(=O)[O-] ZINC001598818554 996298046 /nfs/dbraw/zinc/29/80/46/996298046.db2.gz YJYYGXJKWZERGR-BQBZGAKWSA-N -1 0 375.179 0.520 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598819464 996308205 /nfs/dbraw/zinc/30/82/05/996308205.db2.gz OTUMVHODRIHJAK-SNVBAGLBSA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598819529 996308927 /nfs/dbraw/zinc/30/89/27/996308927.db2.gz DSKMLMKFEGPUAH-KWCYVHTRSA-N -1 0 375.381 0.607 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@H]1C(=O)[O-] ZINC001598819950 996314145 /nfs/dbraw/zinc/31/41/45/996314145.db2.gz VOZYDCDOHZZQCF-BDAKNGLRSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnccc2NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598820045 996315590 /nfs/dbraw/zinc/31/55/90/996315590.db2.gz FIBZGVIEZIENSB-NEPJUHHUSA-N -1 0 393.396 0.796 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@@H]1C(=O)[O-] ZINC001598820078 996315639 /nfs/dbraw/zinc/31/56/39/996315639.db2.gz RKEBMPUXEXUVIN-NKWVEPMBSA-N -1 0 397.377 0.690 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nn3c(c2Br)CCC3)C[C@H]1C(=O)[O-] ZINC001598820240 996317054 /nfs/dbraw/zinc/31/70/54/996317054.db2.gz SMUIXPONRZCBPC-SFYZADRCSA-N -1 0 386.202 0.538 20 0 GCADRM C[C@H](c1nnc(N2CCO[C@H](CC(=O)[O-])C2)n1C[C@@H]1CCOC1)C(C)(C)O ZINC001593737394 996334817 /nfs/dbraw/zinc/33/48/17/996334817.db2.gz GRXSOLIONZGYLK-HZSPNIEDSA-N -1 0 382.461 0.869 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)C[C@@H]1C(=O)[O-] ZINC001598821778 996335913 /nfs/dbraw/zinc/33/59/13/996335913.db2.gz LYBSMGPGNFZLHP-JGVFFNPUSA-N -1 0 386.286 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@H]1C(=O)[O-] ZINC001598821977 996338651 /nfs/dbraw/zinc/33/86/51/996338651.db2.gz NICGUNANOQSJHK-NXEZZACHSA-N -1 0 391.348 0.629 20 0 GCADRM C[C@H](c1nccs1)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001593737716 996338778 /nfs/dbraw/zinc/33/87/78/996338778.db2.gz KAWUNZGBYRZQHL-GFCCVEGCSA-N -1 0 388.515 0.863 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@H]1C(=O)[O-] ZINC001598822285 996341635 /nfs/dbraw/zinc/34/16/35/996341635.db2.gz PFBHDLFKPHTMGB-SFYZADRCSA-N -1 0 397.185 0.438 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001593738341 996346571 /nfs/dbraw/zinc/34/65/71/996346571.db2.gz ZTTHHGDNDLWOPI-GFCCVEGCSA-N -1 0 383.474 0.512 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598823948 996361241 /nfs/dbraw/zinc/36/12/41/996361241.db2.gz DWHWUTLPKGGLDI-VHSXEESVSA-N -1 0 377.802 0.843 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@@H]1C(=O)OC ZINC001598824022 996361981 /nfs/dbraw/zinc/36/19/81/996361981.db2.gz FTDDZZAFCMNVLF-RYUDHWBXSA-N -1 0 389.357 0.107 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@@H]1C(=O)[O-] ZINC001598824028 996361986 /nfs/dbraw/zinc/36/19/86/996361986.db2.gz FTJIYUHCUSPHEA-STQMWFEESA-N -1 0 396.421 0.456 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001598824416 996366403 /nfs/dbraw/zinc/36/64/03/996366403.db2.gz HKBBHROIOSDKBB-LBPRGKRZSA-N -1 0 389.451 0.601 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)C[C@H]1C(=O)OC ZINC001598824525 996366964 /nfs/dbraw/zinc/36/69/64/996366964.db2.gz HCDMUGNALKNXHT-CHWSQXEVSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598824650 996368867 /nfs/dbraw/zinc/36/88/67/996368867.db2.gz AJKSOVXWSQBSKS-ZJUUUORDSA-N -1 0 393.215 0.338 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)C[C@H]1C(=O)[O-] ZINC001598825026 996372695 /nfs/dbraw/zinc/37/26/95/996372695.db2.gz JGPZLYJPNBDQBQ-RKDXNWHRSA-N -1 0 391.373 0.337 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598825734 996380442 /nfs/dbraw/zinc/38/04/42/996380442.db2.gz LGKHPZRFHRLXDW-RKDXNWHRSA-N -1 0 397.327 0.921 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598826280 996386088 /nfs/dbraw/zinc/38/60/88/996386088.db2.gz HWUONMOJSQUPAU-BFHYXJOUSA-N -1 0 380.445 0.823 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@@H]3C)n2CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598826271 996386110 /nfs/dbraw/zinc/38/61/10/996386110.db2.gz HTTUSLAMWWKJEG-RUZUBIRVSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C)n2C[C@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598826526 996388792 /nfs/dbraw/zinc/38/87/92/996388792.db2.gz ILCYCJVXKAHOFD-MQLXINIDSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@H]1CN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H]1C(=O)[O-] ZINC001598826499 996388824 /nfs/dbraw/zinc/38/88/24/996388824.db2.gz IAWIHRNLAACCHY-STQMWFEESA-N -1 0 386.426 0.370 20 0 GCADRM C[C@]1(C(=O)N[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)CCCS1(=O)=O ZINC001593749863 996391660 /nfs/dbraw/zinc/39/16/60/996391660.db2.gz UMGSASAQXZYIJU-SUMWQHHRSA-N -1 0 380.422 0.722 20 0 GCADRM C[C@]1(C(=O)NCCC(=O)NCCC(=O)[O-])CCCN1C(=O)c1ccccc1 ZINC001593753898 996396539 /nfs/dbraw/zinc/39/65/39/996396539.db2.gz KMTUBXMUMRYUEF-LJQANCHMSA-N -1 0 375.425 0.779 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598827497 996398992 /nfs/dbraw/zinc/39/89/92/996398992.db2.gz RFNHSKUWMJOUHT-FLXNLOQFSA-N -1 0 390.439 0.194 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2C[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598827909 996404096 /nfs/dbraw/zinc/40/40/96/996404096.db2.gz OLELRQRGGBSLNL-FPMFFAJLSA-N -1 0 378.429 0.892 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598827916 996404144 /nfs/dbraw/zinc/40/41/44/996404144.db2.gz OLELRQRGGBSLNL-MRVWCRGKSA-N -1 0 378.429 0.892 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1C(=O)[O-] ZINC001598828306 996408677 /nfs/dbraw/zinc/40/86/77/996408677.db2.gz QLYPYUDCHVHMPI-KBPBESRZSA-N -1 0 391.405 0.638 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598828438 996409565 /nfs/dbraw/zinc/40/95/65/996409565.db2.gz WDEQWMDHLGHHMU-RYUDHWBXSA-N -1 0 375.374 0.470 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@H](OC)c3cccs3)n2C)C[C@H]1C(=O)[O-] ZINC001598828638 996411639 /nfs/dbraw/zinc/41/16/39/996411639.db2.gz RWYBGEFXXHFIGQ-CKYFFXLPSA-N -1 0 380.426 0.922 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC001598829282 996418353 /nfs/dbraw/zinc/41/83/53/996418353.db2.gz ULLDTDZUFMJNCL-RQJHMYQMSA-N -1 0 383.209 0.883 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)C1 ZINC001593761406 996421456 /nfs/dbraw/zinc/42/14/56/996421456.db2.gz ACRQXGPZZIDNHR-RTBURBONSA-N -1 0 378.400 0.959 20 0 GCADRM COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001598829570 996421862 /nfs/dbraw/zinc/42/18/62/996421862.db2.gz UTHILSXSMIXIOS-NSHDSACASA-N -1 0 378.353 0.189 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001593761456 996421999 /nfs/dbraw/zinc/42/19/99/996421999.db2.gz AVPQHNBFWBOWPX-IAQYHMDHSA-N -1 0 379.379 0.700 20 0 GCADRM COC(=O)[C@@H]1CN(c2ncccc2I)C[C@H]1C(=O)[O-] ZINC001598829643 996422393 /nfs/dbraw/zinc/42/23/93/996422393.db2.gz VEJPNZPDPYOFKD-HTQZYQBOSA-N -1 0 376.150 0.996 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC001593761623 996422999 /nfs/dbraw/zinc/42/29/99/996422999.db2.gz BWYXXIQICJGYNT-IINYFYTJSA-N -1 0 376.335 0.816 20 0 GCADRM COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598830057 996426698 /nfs/dbraw/zinc/42/66/98/996426698.db2.gz WVSZTBYPHVJXDU-AWEZNQCLSA-N -1 0 384.454 0.574 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598831203 996438922 /nfs/dbraw/zinc/43/89/22/996438922.db2.gz RGAGHKBRCNFKJR-SJLPKXTDSA-N -1 0 390.436 0.270 20 0 GCADRM COC(=O)CC(C)(C)CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001598832134 996447538 /nfs/dbraw/zinc/44/75/38/996447538.db2.gz PXBUPJPUBSCZCN-JKGQDXBKSA-N -1 0 389.470 0.893 20 0 GCADRM COC(=O)C[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccn1 ZINC001598833688 996462426 /nfs/dbraw/zinc/46/24/26/996462426.db2.gz SAWKAEGNYKGKQS-MRXNPFEDSA-N -1 0 381.410 0.875 20 0 GCADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC001598834894 996475176 /nfs/dbraw/zinc/47/51/76/996475176.db2.gz RXVRLZDUKDWFAN-DEBLGDTFSA-N -1 0 396.421 0.227 20 0 GCADRM COC(=O)C[C@@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccn1 ZINC001598835570 996480973 /nfs/dbraw/zinc/48/09/73/996480973.db2.gz HSMWGEGTZAFGKY-OAHLLOKOSA-N -1 0 382.398 0.120 20 0 GCADRM COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)[O-] ZINC001598836612 996490457 /nfs/dbraw/zinc/49/04/57/996490457.db2.gz DKORTAVBIRCFJQ-DDBGAENHSA-N -1 0 397.428 0.256 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(c2nnc([C@]3(O)CCOC3)n2C[C@H]2CCOC2)C1 ZINC001593783689 996497384 /nfs/dbraw/zinc/49/73/84/996497384.db2.gz QFZKPMZIKMAFGG-BVGQSLNGSA-N -1 0 380.445 0.614 20 0 GCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)C1 ZINC001593784191 996501510 /nfs/dbraw/zinc/50/15/10/996501510.db2.gz FGJKGUIDBMZSRP-SJKOYZFVSA-N -1 0 381.816 0.637 20 0 GCADRM COC(=O)C[C@@H](NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)[O-] ZINC001598838181 996503326 /nfs/dbraw/zinc/50/33/26/996503326.db2.gz QCDZIYAQCDESCX-ACJLOTCBSA-N -1 0 396.371 0.870 20 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ZINC000821537807 597359412 /nfs/dbraw/zinc/35/94/12/597359412.db2.gz GXIKXEPMPLNVBQ-VIFPVBQESA-N -1 0 380.307 0.737 20 0 GCADRM Cn1cc(N2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)CC2)cn1 ZINC000263164464 597362564 /nfs/dbraw/zinc/36/25/64/597362564.db2.gz FFIGHZIBNWJYSR-QGZVFWFLSA-N -1 0 382.424 0.788 20 0 GCADRM O=C([O-])Cn1cc(COC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)nn1 ZINC000821539808 597363101 /nfs/dbraw/zinc/36/31/01/597363101.db2.gz NLABHPOBCDUQGQ-UHFFFAOYSA-N -1 0 380.382 0.160 20 0 GCADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000821202850 597368740 /nfs/dbraw/zinc/36/87/40/597368740.db2.gz RKTFSAYJMMQZOJ-UHFFFAOYSA-N -1 0 384.400 0.188 20 0 GCADRM COc1ccc(Cn2nccc2NC(=O)C(=O)N[C@H](C)C(=O)[O-])c(OC)c1 ZINC000659062844 597407643 /nfs/dbraw/zinc/40/76/43/597407643.db2.gz NRKRVCQKROWORF-SNVBAGLBSA-N -1 0 376.369 0.476 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1)C(=O)[O-] ZINC000422667147 597408866 /nfs/dbraw/zinc/40/88/66/597408866.db2.gz 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Cc1cc(NC(=O)CN2CCCC[C@H]2C(=O)[O-])n([C@H]2CCS(=O)(=O)C2)n1 ZINC000821013647 597434252 /nfs/dbraw/zinc/43/42/52/597434252.db2.gz OAAIEUIEEMFVMV-STQMWFEESA-N -1 0 384.458 0.429 20 0 GCADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000817803455 597437330 /nfs/dbraw/zinc/43/73/30/597437330.db2.gz XGSNFRJYZKGFOF-AWEZNQCLSA-N -1 0 392.408 0.821 20 0 GCADRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000817803151 597437614 /nfs/dbraw/zinc/43/76/14/597437614.db2.gz NJRIRZCVTLVKOG-CQSZACIVSA-N -1 0 392.408 0.821 20 0 GCADRM CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCNC2=O)c(C(=O)[O-])c1C ZINC000820374761 597438046 /nfs/dbraw/zinc/43/80/46/597438046.db2.gz XLIBVVVURRSEFZ-VIFPVBQESA-N -1 0 383.426 0.690 20 0 GCADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)C1=O ZINC000818080602 597444454 /nfs/dbraw/zinc/44/44/54/597444454.db2.gz UJTJPXTUXHLBHZ-GOSISDBHSA-N -1 0 389.364 0.553 20 0 GCADRM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000621562946 597446444 /nfs/dbraw/zinc/44/64/44/597446444.db2.gz ZOCFKMPKOXGGRA-ZDUSSCGKSA-N -1 0 385.442 0.125 20 0 GCADRM O=C([O-])[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000262688088 597450053 /nfs/dbraw/zinc/45/00/53/597450053.db2.gz VONDEQCHQJNQTJ-HNNXBMFYSA-N -1 0 381.454 0.948 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)NCc2nnc3n2CCC[C@H]3C(F)(F)F)CCO1 ZINC000821510354 597459598 /nfs/dbraw/zinc/45/95/98/597459598.db2.gz BKDXXTAGPVJNAG-BDAKNGLRSA-N -1 0 377.323 0.713 20 0 GCADRM CCc1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000263343699 597460992 /nfs/dbraw/zinc/46/09/92/597460992.db2.gz YJWTVYRWAHAKLH-LBPRGKRZSA-N -1 0 384.454 0.815 20 0 GCADRM CCc1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000263343693 597461080 /nfs/dbraw/zinc/46/10/80/597461080.db2.gz YJWTVYRWAHAKLH-GFCCVEGCSA-N -1 0 384.454 0.815 20 0 GCADRM CCn1c2ccc(NC(=O)CCC(=O)N(C)CC(=O)[O-])nc2n(CC)c1=O ZINC000516467259 597461176 /nfs/dbraw/zinc/46/11/76/597461176.db2.gz GZEDLWSASDCORG-UHFFFAOYSA-N -1 0 377.401 0.500 20 0 GCADRM Cn1c(=O)c(-c2nnn[n-]2)c(NCc2cccc3c2OCCCO3)n(C)c1=O ZINC000822600975 607307516 /nfs/dbraw/zinc/30/75/16/607307516.db2.gz RRRKCFIDDSSXSM-UHFFFAOYSA-N -1 0 385.384 0.038 20 0 GCADRM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000262686789 597477477 /nfs/dbraw/zinc/47/74/77/597477477.db2.gz YDUPCCPQEGRRNM-LBPRGKRZSA-N -1 0 385.442 0.051 20 0 GCADRM COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000270538721 597479043 /nfs/dbraw/zinc/47/90/43/597479043.db2.gz WULPEKYIDWBGNN-VQCYPWCPSA-N -1 0 387.410 0.984 20 0 GCADRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000261712527 597479212 /nfs/dbraw/zinc/47/92/12/597479212.db2.gz PVXOACBWNUIRRK-LLVKDONJSA-N -1 0 376.456 0.565 20 0 GCADRM C[C@@H](C(=O)[O-])N(C)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000817779191 597480082 /nfs/dbraw/zinc/48/00/82/597480082.db2.gz CWCANPRDGALZPS-MGPLVRAMSA-N -1 0 383.426 0.220 20 0 GCADRM C[C@H](C(=O)[O-])N(C)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000817779296 597482272 /nfs/dbraw/zinc/48/22/72/597482272.db2.gz IZNRGTQTCDNFCL-LLVKDONJSA-N -1 0 384.433 0.670 20 0 GCADRM COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000643444021 597489605 /nfs/dbraw/zinc/48/96/05/597489605.db2.gz KNXLYUFWRBUEDQ-AWEZNQCLSA-N -1 0 388.380 0.191 20 0 GCADRM Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1C(=O)[O-] ZINC000821000559 597491373 /nfs/dbraw/zinc/49/13/73/597491373.db2.gz RAKBEFWTRSXAFZ-GFCCVEGCSA-N -1 0 383.426 0.172 20 0 GCADRM COc1cc(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cc(OC)c1OC ZINC000261893682 597498359 /nfs/dbraw/zinc/49/83/59/597498359.db2.gz UFETUTWOZSJACU-NEPJUHHUSA-N -1 0 392.408 0.998 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C1 ZINC000532678754 597500710 /nfs/dbraw/zinc/50/07/10/597500710.db2.gz VYYOUBJMXHUBRA-CYBMUJFWSA-N -1 0 375.406 0.851 20 0 GCADRM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000331726518 597503942 /nfs/dbraw/zinc/50/39/42/597503942.db2.gz MSRXZCWHFITEQC-CYBMUJFWSA-N -1 0 382.438 0.563 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000261853678 597503961 /nfs/dbraw/zinc/50/39/61/597503961.db2.gz OZEYXWYTYXVELN-GFCCVEGCSA-N -1 0 383.426 0.199 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCO1 ZINC000821512180 597512977 /nfs/dbraw/zinc/51/29/77/597512977.db2.gz CRRUEHSULPSVBI-LURJTMIESA-N -1 0 387.261 0.757 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)[O-] ZINC000422647217 597515800 /nfs/dbraw/zinc/51/58/00/597515800.db2.gz AAHQAYYBPVBWGO-LLVKDONJSA-N -1 0 383.426 0.389 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C(=O)[O-] ZINC000818022047 597517809 /nfs/dbraw/zinc/51/78/09/597517809.db2.gz CKEULESXRJRCTL-NSHDSACASA-N -1 0 383.364 0.072 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1)C(=O)[O-] ZINC000818017561 597520063 /nfs/dbraw/zinc/52/00/63/597520063.db2.gz BUJIQPBKHGLEHL-ZDUSSCGKSA-N -1 0 388.424 0.501 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1NC(=O)CN1CCCCC1 ZINC000818898675 597520236 /nfs/dbraw/zinc/52/02/36/597520236.db2.gz DJBYMOHKWHFFBY-CYBMUJFWSA-N -1 0 390.440 0.947 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000819209307 597521646 /nfs/dbraw/zinc/52/16/46/597521646.db2.gz MBMJOJZSGAZLLS-OAHLLOKOSA-N -1 0 375.425 0.433 20 0 GCADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000819214733 597522882 /nfs/dbraw/zinc/52/28/82/597522882.db2.gz MBDKNFGDLYVCEW-SMDDNHRTSA-N -1 0 375.381 0.676 20 0 GCADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000819209327 597523218 /nfs/dbraw/zinc/52/32/18/597523218.db2.gz QCXYTZRTDZRDPN-ZDUSSCGKSA-N -1 0 375.381 0.031 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(OCC(=O)N(C)C)c1 ZINC000818898737 597524533 /nfs/dbraw/zinc/52/45/33/597524533.db2.gz KNGAHSGCHAQEDN-LBPRGKRZSA-N -1 0 377.397 0.334 20 0 GCADRM O=C([O-])[C@H]1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000819281155 597531396 /nfs/dbraw/zinc/53/13/96/597531396.db2.gz LQOZPSHEMPFHCV-STQMWFEESA-N -1 0 386.495 0.670 20 0 GCADRM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000261697075 597532551 /nfs/dbraw/zinc/53/25/51/597532551.db2.gz NRQBWXYUKGYQRK-GFCCVEGCSA-N -1 0 391.467 0.595 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000817880352 597611754 /nfs/dbraw/zinc/61/17/54/597611754.db2.gz QABHLBFYQKJOIK-UHFFFAOYSA-N -1 0 381.389 0.721 20 0 GCADRM CC(=O)NCCN(Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)C(=O)[O-] ZINC000819780563 597675386 /nfs/dbraw/zinc/67/53/86/597675386.db2.gz JZOCUASKIFBOCG-VIFPVBQESA-N -1 0 392.441 0.054 20 0 GCADRM CC(=O)NCCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@H](C)C(=O)[O-] ZINC000263093688 597679513 /nfs/dbraw/zinc/67/95/13/597679513.db2.gz AMLAMQXMCSJANB-CYBMUJFWSA-N -1 0 378.429 0.863 20 0 GCADRM CC(=O)NCCN(CC(=O)NC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)C(=O)[O-] ZINC000263093692 597679805 /nfs/dbraw/zinc/67/98/05/597679805.db2.gz AMLAMQXMCSJANB-ZDUSSCGKSA-N -1 0 378.429 0.863 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)[C@H](C)C(=O)[O-] ZINC000262164803 597682054 /nfs/dbraw/zinc/68/20/54/597682054.db2.gz CNNKATPQJPVAQA-LLVKDONJSA-N -1 0 385.442 0.038 20 0 GCADRM CC(=O)NCCN(C(=O)C1CCN(Cc2nccn2C)CC1)[C@@H](C)C(=O)[O-] ZINC000819744450 597682678 /nfs/dbraw/zinc/68/26/78/597682678.db2.gz MSSATBLAPDFRLD-ZDUSSCGKSA-N -1 0 379.461 0.070 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H](C)C(=O)[O-] ZINC000819744381 597682814 /nfs/dbraw/zinc/68/28/14/597682814.db2.gz KDXGIWQZOWMZNB-DGCLKSJQSA-N -1 0 387.433 0.060 20 0 GCADRM CC(=O)NCCN(C(=O)C1CCN(Cc2nccn2C)CC1)[C@H](C)C(=O)[O-] ZINC000819744449 597682865 /nfs/dbraw/zinc/68/28/65/597682865.db2.gz MSSATBLAPDFRLD-CYBMUJFWSA-N -1 0 379.461 0.070 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000543752607 597682920 /nfs/dbraw/zinc/68/29/20/597682920.db2.gz UMTREJOMKZSXQG-LBPRGKRZSA-N -1 0 376.388 0.992 20 0 GCADRM COc1ccc(-n2nnc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c2C)cc1 ZINC000262266344 597686717 /nfs/dbraw/zinc/68/67/17/597686717.db2.gz TYZPPWJEPPCSFD-LBPRGKRZSA-N -1 0 389.412 0.636 20 0 GCADRM CC(=O)NCCN(C(=O)CCc1c(C)nc2ncnn2c1C)[C@H](C)C(=O)[O-] ZINC000262262321 597687462 /nfs/dbraw/zinc/68/74/62/597687462.db2.gz SJRGVZISVUCBER-GFCCVEGCSA-N -1 0 376.417 0.112 20 0 GCADRM CC(=O)NCCN(C(=O)C[C@H]1c2ccccc2CCN1C(C)=O)[C@@H](C)C(=O)[O-] ZINC000368008025 597689541 /nfs/dbraw/zinc/68/95/41/597689541.db2.gz RNTVZMMCBZZBHC-UGSOOPFHSA-N -1 0 389.452 0.960 20 0 GCADRM CC(=O)NCCN(C(=O)CCn1cnc2c(C)cccc2c1=O)[C@H](C)C(=O)[O-] ZINC000262282769 597689564 /nfs/dbraw/zinc/68/95/64/597689564.db2.gz WVSNJLFQPLYWPW-CYBMUJFWSA-N -1 0 388.424 0.533 20 0 GCADRM CC(=O)NCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@H](C)C(=O)[O-] ZINC000510306580 597691354 /nfs/dbraw/zinc/69/13/54/597691354.db2.gz JMIMJFFKKQZCCI-GFCCVEGCSA-N -1 0 379.413 0.570 20 0 GCADRM CC(=O)NCCN(C(=O)c1sc(-c2ncccn2)nc1C)[C@@H](C)C(=O)[O-] ZINC000262186554 597692125 /nfs/dbraw/zinc/69/21/25/597692125.db2.gz GGRALJBZCYIUEC-JTQLQIEISA-N -1 0 377.426 0.960 20 0 GCADRM CCc1csc(-n2cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn2)n1 ZINC000820493004 597692375 /nfs/dbraw/zinc/69/23/75/597692375.db2.gz WBLNQIBBUCUZOS-JTQLQIEISA-N -1 0 379.442 0.943 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](C)C(=O)[O-] ZINC000781134701 597693179 /nfs/dbraw/zinc/69/31/79/597693179.db2.gz FHRILCRSVYMNIE-AAEUAGOBSA-N -1 0 379.388 0.616 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1)[C@H](C)C(=O)[O-] ZINC000263438479 597693692 /nfs/dbraw/zinc/69/36/92/597693692.db2.gz PDPBHODCERMPDT-OCCSQVGLSA-N -1 0 393.415 0.925 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)[C@H](C)C(=O)[O-] ZINC000262160616 597694474 /nfs/dbraw/zinc/69/44/74/597694474.db2.gz BYKBFGBMFFAFQO-PBHICJAKSA-N -1 0 389.452 0.977 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@H](C)C(=O)[O-] ZINC000781136457 597694969 /nfs/dbraw/zinc/69/49/69/597694969.db2.gz KPCJFAZQKQLACP-SNVBAGLBSA-N -1 0 381.360 0.834 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(N2CCOC2=O)ccc1F)[C@@H](C)C(=O)[O-] ZINC000781136456 597695015 /nfs/dbraw/zinc/69/50/15/597695015.db2.gz KPCJFAZQKQLACP-JTQLQIEISA-N -1 0 381.360 0.834 20 0 GCADRM CC(=O)NCCN(C(=O)CNC(=O)N1CCc2ccccc2C1)[C@@H](C)C(=O)[O-] ZINC000262236888 597695016 /nfs/dbraw/zinc/69/50/16/597695016.db2.gz OCSMLQHVBWPLTN-ZDUSSCGKSA-N -1 0 390.440 0.192 20 0 GCADRM CC(=O)NCCN(C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H](C)C(=O)[O-] ZINC000262292684 597695546 /nfs/dbraw/zinc/69/55/46/597695546.db2.gz YUNCGLVSTDDLAJ-MLGOLLRUSA-N -1 0 391.424 0.856 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)[C@@H](C)C(=O)[O-] ZINC000262291380 597696306 /nfs/dbraw/zinc/69/63/06/597696306.db2.gz YNTVTXDBXCQGJZ-JTQLQIEISA-N -1 0 391.424 0.994 20 0 GCADRM COC(=O)c1cc(C)ccc1S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000262374448 597697582 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376.394 0.419 20 0 GCADRM COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000831160448 601689329 /nfs/dbraw/zinc/68/93/29/601689329.db2.gz WPLDYZJUWFWFLU-CQSZACIVSA-N -1 0 393.396 0.687 20 0 GCADRM COC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1)C(=O)[O-] ZINC000831623852 601690811 /nfs/dbraw/zinc/69/08/11/601690811.db2.gz WOIMPMKYDOPKIO-OAHLLOKOSA-N -1 0 376.406 0.732 20 0 GCADRM COC[C@](C)(NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)[O-] ZINC000262995657 601691290 /nfs/dbraw/zinc/69/12/90/601691290.db2.gz UBGHZBKWYYGFML-KUHUBIRLSA-N -1 0 378.425 0.910 20 0 GCADRM COC[C@](C)(NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)[O-] ZINC000262995665 601691336 /nfs/dbraw/zinc/69/13/36/601691336.db2.gz UBGHZBKWYYGFML-LIRRHRJNSA-N -1 0 378.425 0.910 20 0 GCADRM COC[C@](C)(NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)[O-] ZINC000831608005 601691444 /nfs/dbraw/zinc/69/14/44/601691444.db2.gz AZKDRHOSFKBQND-ROUUACIJSA-N -1 0 393.396 0.068 20 0 GCADRM 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379.417 0.109 20 0 GCADRM C[C@H](CS(=O)(=O)NCCNC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000827558442 601779984 /nfs/dbraw/zinc/77/99/84/601779984.db2.gz MQTBJZTUZUHYOT-SECBINFHSA-N -1 0 393.259 0.819 20 0 GCADRM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000830907072 601780638 /nfs/dbraw/zinc/78/06/38/601780638.db2.gz KXDOJISBTPLZET-FMTVUPSXSA-N -1 0 378.429 0.603 20 0 GCADRM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)N2CCO[C@H](CC(=O)[O-])C2)[C@H](C)C1 ZINC000828469827 601780648 /nfs/dbraw/zinc/78/06/48/601780648.db2.gz CJGWPOLFFHATSK-MCIONIFRSA-N -1 0 391.490 0.320 20 0 GCADRM C[C@@H](CS(=O)(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C(=O)[O-] ZINC000827547727 601783364 /nfs/dbraw/zinc/78/33/64/601783364.db2.gz VWTGSWGRKJTWOX-XVKPBYJWSA-N -1 0 379.232 0.616 20 0 GCADRM C[C@@H](CS(=O)(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000827531717 601783367 /nfs/dbraw/zinc/78/33/67/601783367.db2.gz CIUOYZUNWKARFG-LBPRGKRZSA-N -1 0 393.483 0.841 20 0 GCADRM 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607208432 /nfs/dbraw/zinc/20/84/32/607208432.db2.gz CRYSNASCWFGLEW-UHFFFAOYSA-N -1 0 396.337 0.490 20 0 GCADRM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)C2)nc1 ZINC000822242291 607208945 /nfs/dbraw/zinc/20/89/45/607208945.db2.gz HBXJIBJFUNIBJE-LBPRGKRZSA-N -1 0 396.415 0.039 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000823131773 607209330 /nfs/dbraw/zinc/20/93/30/607209330.db2.gz NTXAWTDXUZPTFP-UHFFFAOYSA-N -1 0 375.343 0.975 20 0 GCADRM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000819933313 607210886 /nfs/dbraw/zinc/21/08/86/607210886.db2.gz NGOPYWSBBWNMCZ-LLVKDONJSA-N -1 0 391.436 0.364 20 0 GCADRM CCOC(=O)C[C@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000821325890 607211343 /nfs/dbraw/zinc/21/13/43/607211343.db2.gz PQBNZAJJGLRQIS-LBPRGKRZSA-N -1 0 388.363 0.408 20 0 GCADRM Cc1ccc(NC(=O)CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000822242783 607211473 /nfs/dbraw/zinc/21/14/73/607211473.db2.gz XTALNRNTWHGQDH-UHFFFAOYSA-N -1 0 375.780 0.175 20 0 GCADRM CCCCCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)C1 ZINC000821056619 607212114 /nfs/dbraw/zinc/21/21/14/607212114.db2.gz UOUYSVDJEZQOGV-ZDUSSCGKSA-N -1 0 389.464 0.393 20 0 GCADRM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821572252 607212472 /nfs/dbraw/zinc/21/24/72/607212472.db2.gz XMJQLFVTSVSIHD-HNNXBMFYSA-N -1 0 396.390 0.579 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc(OC2CCCCC2)nc1 ZINC000823131437 607212881 /nfs/dbraw/zinc/21/28/81/607212881.db2.gz HHYZXXOPDYYDCP-UHFFFAOYSA-N -1 0 383.416 0.881 20 0 GCADRM O=C(CC1CCCC1)N1CCCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000822941117 607215413 /nfs/dbraw/zinc/21/54/13/607215413.db2.gz QLPGAQWLODRBQK-UHFFFAOYSA-N -1 0 387.448 0.099 20 0 GCADRM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820057124 607215556 /nfs/dbraw/zinc/21/55/56/607215556.db2.gz WYGOAFXFPPPXLM-LLVKDONJSA-N -1 0 393.452 0.514 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccnc(N2CCCCCC2)c1 ZINC000823131698 607215645 /nfs/dbraw/zinc/21/56/45/607215645.db2.gz MBDGLINGYNXGFW-UHFFFAOYSA-N -1 0 382.432 0.550 20 0 GCADRM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CC1 ZINC000819940372 607215727 /nfs/dbraw/zinc/21/57/27/607215727.db2.gz ZDIUCVIDXICDAB-INIZCTEOSA-N -1 0 391.436 0.268 20 0 GCADRM CCOC(=O)CN(CCc1ccccc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821330756 607215931 /nfs/dbraw/zinc/21/59/31/607215931.db2.gz QMWQKWOWEPCGMZ-UHFFFAOYSA-N -1 0 384.400 0.093 20 0 GCADRM COCCN(CCOc1ccc(F)cc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821690083 607216060 /nfs/dbraw/zinc/21/60/60/607216060.db2.gz YAQCEQXWKZNMIX-UHFFFAOYSA-N -1 0 390.379 0.151 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000823431286 607216603 /nfs/dbraw/zinc/21/66/03/607216603.db2.gz PFEYAGDRWMHBRB-CYBMUJFWSA-N -1 0 382.384 0.193 20 0 GCADRM CN(C)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC000821579747 607217720 /nfs/dbraw/zinc/21/77/20/607217720.db2.gz MFYRWRXKTMHWCF-NSHDSACASA-N -1 0 377.359 0.156 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccc(Br)cc1 ZINC000823131198 607217850 /nfs/dbraw/zinc/21/78/50/607217850.db2.gz CVWYZASHTWILBS-UHFFFAOYSA-N -1 0 377.206 0.580 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000823136130 607218938 /nfs/dbraw/zinc/21/89/38/607218938.db2.gz LJCGNZLGKGIPQW-LLVKDONJSA-N -1 0 387.379 0.827 20 0 GCADRM CN(C[C@H]1CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000821596177 607220183 /nfs/dbraw/zinc/22/01/83/607220183.db2.gz BVOTYWOAWDHAOU-LLVKDONJSA-N -1 0 391.436 0.316 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000823132100 607220609 /nfs/dbraw/zinc/22/06/09/607220609.db2.gz ZVDJJVMBNOHHPH-UHFFFAOYSA-N -1 0 382.363 0.142 20 0 GCADRM C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1nc(Cc2ccccc2)no1 ZINC000820333975 607221284 /nfs/dbraw/zinc/22/12/84/607221284.db2.gz HYSYRHCQPIRVEA-SNVBAGLBSA-N -1 0 380.372 0.309 20 0 GCADRM Cc1nccn1-c1ccc([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1 ZINC000822477218 607221701 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O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000823131631 607223570 /nfs/dbraw/zinc/22/35/70/607223570.db2.gz KPUIMRSMHSBCHN-UHFFFAOYSA-N -1 0 394.298 0.105 20 0 GCADRM Cc1cc(C)n(-c2ccccc2CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)n1 ZINC000822197498 607223741 /nfs/dbraw/zinc/22/37/41/607223741.db2.gz CRFKYSPONQZSLJ-UHFFFAOYSA-N -1 0 378.400 0.577 20 0 GCADRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000823127025 607224721 /nfs/dbraw/zinc/22/47/21/607224721.db2.gz QYRRIGCHATYTAG-SNVBAGLBSA-N -1 0 398.305 0.207 20 0 GCADRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826450418 607777592 /nfs/dbraw/zinc/77/75/92/607777592.db2.gz LHBWJYVAYDAMKG-UHFFFAOYSA-N -1 0 392.788 0.615 20 0 GCADRM COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826174602 607792362 /nfs/dbraw/zinc/79/23/62/607792362.db2.gz CMDGAGJYBCFZDW-NSHDSACASA-N -1 0 385.388 0.173 20 0 GCADRM Cc1ccc(Cn2cccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)c2=O)cc1 ZINC000826289169 607824344 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ZINC000655991434 1184922541 /nfs/dbraw/zinc/92/25/41/1184922541.db2.gz NBASXXJBSIKNFE-SECBINFHSA-N -1 0 377.319 0.518 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000655991035 1184922640 /nfs/dbraw/zinc/92/26/40/1184922640.db2.gz JUPNTDWSTWVZJK-GXFFZTMASA-N -1 0 397.378 0.659 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000655991037 1184922849 /nfs/dbraw/zinc/92/28/49/1184922849.db2.gz JUPNTDWSTWVZJK-ZWNOBZJWSA-N -1 0 397.378 0.659 20 0 GCADRM COc1ccccc1-c1noc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000655992594 1184923516 /nfs/dbraw/zinc/92/35/16/1184923516.db2.gz CASKGMHIDOKWMX-VHSXEESVSA-N -1 0 376.369 0.759 20 0 GCADRM COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)C1=O ZINC000655991967 1184923584 /nfs/dbraw/zinc/92/35/84/1184923584.db2.gz RDVDCYGZUYHXBQ-QWHCGFSZSA-N -1 0 391.424 0.390 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCCNC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000655987145 1184923612 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C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)C(=O)[O-] ZINC000656001551 1184933912 /nfs/dbraw/zinc/93/39/12/1184933912.db2.gz KHKINFLJDRWJAX-NSHDSACASA-N -1 0 381.816 0.348 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000656001327 1184933941 /nfs/dbraw/zinc/93/39/41/1184933941.db2.gz FAPMYTCKONFTDI-NSHDSACASA-N -1 0 381.816 0.461 20 0 GCADRM C[C@H](CNC(=O)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1)C(=O)[O-] ZINC000656001288 1184934025 /nfs/dbraw/zinc/93/40/25/1184934025.db2.gz CZAPOQBWNDIXDL-CVEARBPZSA-N -1 0 391.468 0.573 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000656008706 1184934753 /nfs/dbraw/zinc/93/47/53/1184934753.db2.gz MYCQHMULRQQDIJ-HNNXBMFYSA-N -1 0 375.425 0.444 20 0 GCADRM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)nc1 ZINC000656007438 1184934790 /nfs/dbraw/zinc/93/47/90/1184934790.db2.gz FWJUAGYUHQDZPG-CHWSQXEVSA-N -1 0 376.413 0.404 20 0 GCADRM 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0.643 20 0 GCADRM Cc1cccc([C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C(=O)[O-])c1 ZINC001594393388 958749758 /nfs/dbraw/zinc/74/97/58/958749758.db2.gz SPVTWFIQIYDDNC-INIZCTEOSA-N -1 0 399.469 0.071 20 0 GCADRM COc1ccccc1C[C@@](C)(CO)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001594144596 958752620 /nfs/dbraw/zinc/75/26/20/958752620.db2.gz WEVSPUMTMQCOMO-KUHUBIRLSA-N -1 0 378.425 0.428 20 0 GCADRM Cc1cccc([C@H](NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C(=O)[O-])c1 ZINC001594394950 958761717 /nfs/dbraw/zinc/76/17/17/958761717.db2.gz WYMSAEZYDHFXST-AWEZNQCLSA-N -1 0 377.422 0.755 20 0 GCADRM CC(=O)NCCN(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)C(=O)[O-] ZINC001588512755 958762699 /nfs/dbraw/zinc/76/26/99/958762699.db2.gz BQQVHVHTJIHQJW-AWEZNQCLSA-N -1 0 398.504 0.003 20 0 GCADRM COc1ccccc1NC(=O)CN1CCN(C(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001594147241 958777611 /nfs/dbraw/zinc/77/76/11/958777611.db2.gz UQIOLWVENFQIBD-UHFFFAOYSA-N -1 0 387.396 0.513 20 0 GCADRM COc1ccccc1N1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001594147288 958778722 /nfs/dbraw/zinc/77/87/22/958778722.db2.gz XLGDDHRGVKMICU-UHFFFAOYSA-N -1 0 381.429 0.645 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)[C@@H]2C1 ZINC001573434003 958795744 /nfs/dbraw/zinc/79/57/44/958795744.db2.gz GXSPWWDJPAXBKR-XDQVBPFNSA-N -1 0 395.456 0.539 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)c(CC(=O)[O-])c1 ZINC000391834716 972380198 /nfs/dbraw/zinc/38/01/98/972380198.db2.gz QHVBLJCFWCMLHE-JTQLQIEISA-N -1 0 377.440 0.035 20 0 GCADRM CC(C)(C)OC(=O)NCCCCNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001573447150 958837521 /nfs/dbraw/zinc/83/75/21/958837521.db2.gz HBNUFOZPUKTJEN-UHFFFAOYSA-N -1 0 392.474 0.687 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CCC(=O)[O-])C1 ZINC001573450167 958872496 /nfs/dbraw/zinc/87/24/96/958872496.db2.gz DSPMEJUPVXFLOU-LLVKDONJSA-N -1 0 378.447 0.392 20 0 GCADRM CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CC(=O)[O-])C2=O)[C@@H](C(F)F)C1 ZINC001573453090 958878889 /nfs/dbraw/zinc/87/88/89/958878889.db2.gz MGUYKXREWHQOHW-WDEREUQCSA-N -1 0 377.388 0.858 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N=S2(=O)CCCC2)C1 ZINC001573454171 958881457 /nfs/dbraw/zinc/88/14/57/958881457.db2.gz OVABWBCUPWAXMM-OAHLLOKOSA-N -1 0 376.431 0.866 20 0 GCADRM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])C1 ZINC001573454452 958883391 /nfs/dbraw/zinc/88/33/91/958883391.db2.gz BNUZKVUYOKCBJP-QJPTWQEYSA-N -1 0 375.443 0.455 20 0 GCADRM O=C([O-])[C@@H]1CC(C(=O)N[C@H]2C(=O)NCC23CCOCC3)=NN1c1ccccc1 ZINC001605742934 972384398 /nfs/dbraw/zinc/38/43/98/972384398.db2.gz FQJXKEIEMOPHJV-GJZGRUSLSA-N -1 0 386.408 0.117 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC[C@H](O)C(C)(C)C2)C1 ZINC001573454910 958890107 /nfs/dbraw/zinc/89/01/07/958890107.db2.gz UIMMPHKQYDZBRV-KPZWWZAWSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001573455699 958898984 /nfs/dbraw/zinc/89/89/84/958898984.db2.gz ZSRMGHCCOVEMNG-PHIMTYICSA-N -1 0 375.443 0.503 20 0 GCADRM CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001588531340 958899894 /nfs/dbraw/zinc/89/98/94/958899894.db2.gz CVRNCJCTBMHUET-CABCVRRESA-N -1 0 382.438 0.927 20 0 GCADRM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NC3(C(=O)[O-])CCOCC3)C2=O)c1 ZINC001594405255 958900154 /nfs/dbraw/zinc/90/01/54/958900154.db2.gz ZGKUTAIIGVYURL-AWEZNQCLSA-N -1 0 389.408 0.950 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCCc2cnccn2)C1 ZINC001573456825 958902773 /nfs/dbraw/zinc/90/27/73/958902773.db2.gz XUSSRLIGOPWJDC-QGZVFWFLSA-N -1 0 380.401 0.226 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001573456858 958903995 /nfs/dbraw/zinc/90/39/95/958903995.db2.gz YFYGGRHSPAGASX-QWHCGFSZSA-N -1 0 383.445 0.683 20 0 GCADRM Cc1cccc(C[C@H](CO)NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001594407809 958912468 /nfs/dbraw/zinc/91/24/68/958912468.db2.gz BTJUZFVVSBLPTJ-CVEARBPZSA-N -1 0 377.441 0.663 20 0 GCADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[C@H]1n1cccn1 ZINC001573458062 958912672 /nfs/dbraw/zinc/91/26/72/958912672.db2.gz RASOEKVOKCSDFC-TTZDDIAXSA-N -1 0 392.456 0.820 20 0 GCADRM C[S@](=O)(=NS(=O)(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)C1CCCCC1 ZINC001594162743 958914323 /nfs/dbraw/zinc/91/43/23/958914323.db2.gz WALPLUNIMQBKEZ-SQTLIZPKSA-N -1 0 380.488 0.695 20 0 GCADRM CC(C)(C)c1cc2n(n1)CCN(C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C2 ZINC001573462595 958919237 /nfs/dbraw/zinc/91/92/37/958919237.db2.gz GHCCTGDXXCRZCR-UHFFFAOYSA-N -1 0 383.470 0.802 20 0 GCADRM CS(=O)(=O)C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC001594163367 958920663 /nfs/dbraw/zinc/92/06/63/958920663.db2.gz BHUOYNHTHIXHBL-KBPBESRZSA-N -1 0 382.438 0.212 20 0 GCADRM CS(=O)(=O)CC[C@@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001594164919 958947072 /nfs/dbraw/zinc/94/70/72/958947072.db2.gz FOOMLFGJDFOUTC-DAYGRLMNSA-N -1 0 381.450 0.765 20 0 GCADRM CS(=O)(=O)Cc1ccc(NC(=O)c2cccn(CC(=O)[O-])c2=O)cc1F ZINC001594168842 958969050 /nfs/dbraw/zinc/96/90/50/958969050.db2.gz ZBHFARQYAVZFRS-UHFFFAOYSA-N -1 0 382.369 0.869 20 0 GCADRM CS(=O)(=O)Nc1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(Cl)c1 ZINC001594169417 958973102 /nfs/dbraw/zinc/97/31/02/958973102.db2.gz MCSSIRWNMWYPSX-VFZGTOFNSA-N -1 0 388.829 0.885 20 0 GCADRM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NC2(CC(=O)[O-])CCCCC2)C1 ZINC001594169640 958977046 /nfs/dbraw/zinc/97/70/46/958977046.db2.gz BHGFWVAZUFUIRJ-GFCCVEGCSA-N -1 0 382.504 0.365 20 0 GCADRM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594169998 958987003 /nfs/dbraw/zinc/98/70/03/958987003.db2.gz GZTNTOISZCJOTB-UHFFFAOYSA-N -1 0 391.405 0.507 20 0 GCADRM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001573484884 958989804 /nfs/dbraw/zinc/98/98/04/958989804.db2.gz SGIOYFNJNCVTBO-LSDHHAIUSA-N -1 0 396.488 0.646 20 0 GCADRM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001588546549 959000101 /nfs/dbraw/zinc/00/01/01/959000101.db2.gz AXEIRCABNOOGMV-CYBMUJFWSA-N -1 0 375.429 0.940 20 0 GCADRM CS(=O)(=O)[C@H]1CN(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)C[C@@H]1C(F)(F)F ZINC001594171138 959000258 /nfs/dbraw/zinc/00/02/58/959000258.db2.gz DYTIATQIKJQSPP-VLEAKVRGSA-N -1 0 387.376 0.690 20 0 GCADRM CS(=O)(=O)c1ccc(OCCCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001594174058 959021794 /nfs/dbraw/zinc/02/17/94/959021794.db2.gz GQUQPYKRZFMNRU-UGSOOPFHSA-N -1 0 397.449 0.809 20 0 GCADRM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cn(CC(=O)[O-])nn1 ZINC001594418352 959036289 /nfs/dbraw/zinc/03/62/89/959036289.db2.gz XJYXIYXTADSQAQ-CYBMUJFWSA-N -1 0 375.410 0.825 20 0 GCADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001588552652 959038321 /nfs/dbraw/zinc/03/83/21/959038321.db2.gz YMBCZYGMWVFCMJ-GFCCVEGCSA-N -1 0 383.445 0.968 20 0 GCADRM CS(=O)(=O)c1ccccc1-n1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)cn1 ZINC001594175848 959039565 /nfs/dbraw/zinc/03/95/65/959039565.db2.gz AWGLIZBZYHCTRD-MRXNPFEDSA-N -1 0 379.394 0.848 20 0 GCADRM C[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)n1nnc(-c2ccccc2)n1 ZINC001588553139 959039654 /nfs/dbraw/zinc/03/96/54/959039654.db2.gz DUOCSVRVZUETOO-JSGCOSHPSA-N -1 0 386.412 0.483 20 0 GCADRM CS(=O)(=O)c1ccccc1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594176065 959041094 /nfs/dbraw/zinc/04/10/94/959041094.db2.gz KGHCBKNJHBFZEH-ZDUSSCGKSA-N -1 0 382.438 0.072 20 0 GCADRM C[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001588554039 959044087 /nfs/dbraw/zinc/04/40/87/959044087.db2.gz LOFUTRFLJPOIME-DOMZBBRYSA-N -1 0 396.465 0.776 20 0 GCADRM CS(C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001594177686 959048070 /nfs/dbraw/zinc/04/80/70/959048070.db2.gz BNKIDFMXIIVIOR-ZDUSSCGKSA-N -1 0 395.437 0.816 20 0 GCADRM C[S@](=O)c1cccc(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001594179250 959067973 /nfs/dbraw/zinc/06/79/73/959067973.db2.gz WFVJAKUMSBJYOZ-NRRJATNASA-N -1 0 378.450 0.962 20 0 GCADRM Cc1ccn2ncnc2c1NC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594422375 959086617 /nfs/dbraw/zinc/08/66/17/959086617.db2.gz IJCAYESFUAMJQU-GFCCVEGCSA-N -1 0 386.412 0.967 20 0 GCADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CCCCNC2=O)C1=O ZINC001605749421 972401363 /nfs/dbraw/zinc/40/13/63/972401363.db2.gz OQSMVZWVFLZKKR-KFWWJZLASA-N -1 0 388.424 0.381 20 0 GCADRM CSC[C@@](C)(O)CNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594185168 959115306 /nfs/dbraw/zinc/11/53/06/959115306.db2.gz AOUYSOCOJPEHCQ-HOTGVXAUSA-N -1 0 392.474 0.307 20 0 GCADRM O=C([O-])[C@H]1CC(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)=NN1c1ccccc1 ZINC001605749472 972402756 /nfs/dbraw/zinc/40/27/56/972402756.db2.gz QMUBFUNBPCXRJO-SWLSCSKDSA-N -1 0 396.407 0.597 20 0 GCADRM CSC[C@](C)(O)CNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594185169 959116330 /nfs/dbraw/zinc/11/63/30/959116330.db2.gz AOUYSOCOJPEHCQ-HZPDHXFCSA-N -1 0 392.474 0.307 20 0 GCADRM CSC[C@H](CCO)NC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594185580 959121832 /nfs/dbraw/zinc/12/18/32/959121832.db2.gz LLGHYUDFKAKLEV-ZBEGNZNMSA-N -1 0 392.474 0.307 20 0 GCADRM Cc1cn2nc(C(=O)N3C[C@@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)cc2c(=O)[nH]1 ZINC001594426906 959132976 /nfs/dbraw/zinc/13/29/76/959132976.db2.gz QYZBHKATBGXYLY-NEPJUHHUSA-N -1 0 384.396 0.395 20 0 GCADRM CC(C)C[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)[O-] ZINC001573527432 959150487 /nfs/dbraw/zinc/15/04/87/959150487.db2.gz OTFIXSYKRWEKAO-CQSZACIVSA-N -1 0 386.470 0.776 20 0 GCADRM Cc1cnn(-c2c(C(=O)N[C@@H]3CCCCN(CC(=O)[O-])C3=O)c(C)nn2C)c1 ZINC001594433672 959202426 /nfs/dbraw/zinc/20/24/26/959202426.db2.gz GBKLSLAEORIIHP-CYBMUJFWSA-N -1 0 388.428 0.418 20 0 GCADRM CSc1nc(C)c(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1 ZINC001594197105 959204115 /nfs/dbraw/zinc/20/41/15/959204115.db2.gz LTWXRHXAXBJEGQ-LBPRGKRZSA-N -1 0 387.483 0.458 20 0 GCADRM CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)[O-] ZINC001573558366 959260262 /nfs/dbraw/zinc/26/02/62/959260262.db2.gz LARCHVKLVBWLOD-GFCCVEGCSA-N -1 0 376.456 0.942 20 0 GCADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC001594442052 959288133 /nfs/dbraw/zinc/28/81/33/959288133.db2.gz YBKSZULQZPDVAK-AVGNSLFASA-N -1 0 384.458 0.407 20 0 GCADRM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573574215 959316814 /nfs/dbraw/zinc/31/68/14/959316814.db2.gz NHFFCCKSSTZGGT-DZGCQCFKSA-N -1 0 376.409 0.948 20 0 GCADRM C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000167102586 959335420 /nfs/dbraw/zinc/33/54/20/959335420.db2.gz HBAHCHKMBFJKEJ-RNFRBKRXSA-N -1 0 384.204 0.511 20 0 GCADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001594218399 959351827 /nfs/dbraw/zinc/35/18/27/959351827.db2.gz UFKSLKDZFYNLBG-MLGOLLRUSA-N -1 0 396.465 0.910 20 0 GCADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC001603250743 972422281 /nfs/dbraw/zinc/42/22/81/972422281.db2.gz JWXFBJARGBCKCL-ZOWXZIJZSA-N -1 0 381.454 0.736 20 0 GCADRM C[C@@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC001588593138 959368925 /nfs/dbraw/zinc/36/89/25/959368925.db2.gz XZBKWPDTBZEISQ-QMMMGPOBSA-N -1 0 376.818 0.830 20 0 GCADRM Cc1nc(CC2CCN(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)CC2)no1 ZINC001594451393 959374162 /nfs/dbraw/zinc/37/41/62/959374162.db2.gz ZAOHTCLLEQIIGG-AWEZNQCLSA-N -1 0 393.444 0.808 20 0 GCADRM C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN1S(C)(=O)=O ZINC001594221968 959384946 /nfs/dbraw/zinc/38/49/46/959384946.db2.gz SZIUEYOHKYUOQS-UGFHNGPFSA-N -1 0 381.454 0.975 20 0 GCADRM C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC001603250946 972424921 /nfs/dbraw/zinc/42/49/21/972424921.db2.gz UKBVOQBSKIHVDL-DCAQKATOSA-N -1 0 386.430 0.134 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC001594223411 959396899 /nfs/dbraw/zinc/39/68/99/959396899.db2.gz BRHHFRPUCVWLMA-DIFFPNOSSA-N -1 0 392.437 0.507 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001594223473 959399104 /nfs/dbraw/zinc/39/91/04/959399104.db2.gz GEKUDFPVJLVRTH-DIFFPNOSSA-N -1 0 377.422 0.391 20 0 GCADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)N1CCc2ccccc2C1 ZINC001573591628 959400815 /nfs/dbraw/zinc/40/08/15/959400815.db2.gz KPZZMWVSJANERU-AWEZNQCLSA-N -1 0 394.493 0.829 20 0 GCADRM C[C@@H](CNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1)C(=O)[O-] ZINC001573593806 959414242 /nfs/dbraw/zinc/41/42/42/959414242.db2.gz PZOYXYJGUPEBSB-ZDUSSCGKSA-N -1 0 377.445 0.923 20 0 GCADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccnc1C(=O)[O-] ZINC001594457063 959427774 /nfs/dbraw/zinc/42/77/74/959427774.db2.gz VUVQKCNURABOEE-UHFFFAOYSA-N -1 0 387.396 0.992 20 0 GCADRM Cc1nc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)n(-c2ccc(F)cc2C)n1 ZINC001594457145 959430343 /nfs/dbraw/zinc/43/03/43/959430343.db2.gz VQXBYHYRYRQFBX-ZDUSSCGKSA-N -1 0 389.387 0.707 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC001573601206 959444932 /nfs/dbraw/zinc/44/49/32/959444932.db2.gz JAGJTUKVHWKNKD-XGNXJENSSA-N -1 0 384.454 0.719 20 0 GCADRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)cs1 ZINC001594460394 959451135 /nfs/dbraw/zinc/45/11/35/959451135.db2.gz NNNMQPANEKTESN-HNNXBMFYSA-N -1 0 387.483 0.785 20 0 GCADRM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001594461607 959463927 /nfs/dbraw/zinc/46/39/27/959463927.db2.gz LYWXCOHQPRGKDV-GWCFXTLKSA-N -1 0 387.440 0.947 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])C1CC1 ZINC001573608632 959467415 /nfs/dbraw/zinc/46/74/15/959467415.db2.gz UQOQXJHMVZOLHF-FBIMIBRVSA-N -1 0 386.392 0.958 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC001594231007 959468757 /nfs/dbraw/zinc/46/87/57/959468757.db2.gz KPGZYXPRVDBULZ-QGHHPUGFSA-N -1 0 394.432 0.911 20 0 GCADRM C[C@H](C(=O)[O-])c1noc(-c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 ZINC001588604494 959469104 /nfs/dbraw/zinc/46/91/04/959469104.db2.gz WCFLDMCBFXNCDF-VIFPVBQESA-N -1 0 380.382 0.045 20 0 GCADRM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001594233306 959489147 /nfs/dbraw/zinc/48/91/47/959489147.db2.gz JTUVCAFLTXSJBH-SNVBAGLBSA-N -1 0 378.447 0.295 20 0 GCADRM C[C@H](C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)N1C(=O)c2ccccc2C1=O ZINC001594233516 959492452 /nfs/dbraw/zinc/49/24/52/959492452.db2.gz RSORYOBJRUICSL-RISCZKNCSA-N -1 0 387.392 0.253 20 0 GCADRM C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)NCCc1ccccc1 ZINC001594234643 959499841 /nfs/dbraw/zinc/49/98/41/959499841.db2.gz CYOBHZJYKQLMFB-ZFWWWQNUSA-N -1 0 375.425 0.173 20 0 GCADRM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594465831 959506712 /nfs/dbraw/zinc/50/67/12/959506712.db2.gz NSLXPZFSKCMGGR-OAHLLOKOSA-N -1 0 380.364 0.444 20 0 GCADRM Cc1nc[nH]c(=O)c1CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594467612 959512886 /nfs/dbraw/zinc/51/28/86/959512886.db2.gz FOWBVDMJUZAIOU-GFCCVEGCSA-N -1 0 376.413 0.347 20 0 GCADRM Cc1ncc(Br)c(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001594468709 959530519 /nfs/dbraw/zinc/53/05/19/959530519.db2.gz YBVLRKGURYTIOK-JTQLQIEISA-N -1 0 385.218 0.743 20 0 GCADRM Cc1ncc(S(N)(=O)=O)cc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594468990 959533891 /nfs/dbraw/zinc/53/38/91/959533891.db2.gz UAYUZWFITFDYMX-QGZVFWFLSA-N -1 0 377.422 0.810 20 0 GCADRM CN(CC(=O)N(C)C1CCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000392269186 972436996 /nfs/dbraw/zinc/43/69/96/972436996.db2.gz RRHBJUAOIWFTCW-UHFFFAOYSA-N -1 0 375.491 0.751 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC001588623150 959553253 /nfs/dbraw/zinc/55/32/53/959553253.db2.gz IYIGIEKZSCHYTJ-GFCCVEGCSA-N -1 0 379.417 0.558 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC001588625156 959567562 /nfs/dbraw/zinc/56/75/62/959567562.db2.gz CVJNJLHFFVWOMX-MRVPVSSYSA-N -1 0 377.323 0.988 20 0 GCADRM C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCCOCCOCC(=O)[O-] ZINC001594246543 959576983 /nfs/dbraw/zinc/57/69/83/959576983.db2.gz JLDZUEWOTIEVNE-QWRGUYRKSA-N -1 0 399.366 0.345 20 0 GCADRM C[C@]12CN(C(=O)NC[C@H]3CCC4(CC(C(=O)[O-])C4)O3)C[C@H]1CS(=O)(=O)C2 ZINC001594246917 959583138 /nfs/dbraw/zinc/58/31/38/959583138.db2.gz FMXPYDFCJPLHTF-PERQXOOMSA-N -1 0 386.470 0.475 20 0 GCADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588627806 959595360 /nfs/dbraw/zinc/59/53/60/959595360.db2.gz BNKVIFNABAWRBG-AWEZNQCLSA-N -1 0 378.425 0.894 20 0 GCADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594247855 959596607 /nfs/dbraw/zinc/59/66/07/959596607.db2.gz OSTHUJYNWJLGHI-LLVKDONJSA-N -1 0 392.412 0.053 20 0 GCADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594248283 959599518 /nfs/dbraw/zinc/59/95/18/959599518.db2.gz ZPFQYOWRDGNILU-VXGBXAGGSA-N -1 0 389.412 0.579 20 0 GCADRM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594248277 959599618 /nfs/dbraw/zinc/59/96/18/959599618.db2.gz ZPFQYOWRDGNILU-NEPJUHHUSA-N -1 0 389.412 0.579 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC001573637203 959602957 /nfs/dbraw/zinc/60/29/57/959602957.db2.gz ZLVPOXXXEVGOBT-XUJVJEKNSA-N -1 0 384.454 0.529 20 0 GCADRM C[C@@](O)(CNS(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC001573637198 959602973 /nfs/dbraw/zinc/60/29/73/959602973.db2.gz ZIHVLEPMZAGUMW-MRVPVSSYSA-N -1 0 391.208 0.467 20 0 GCADRM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594480949 959630044 /nfs/dbraw/zinc/63/00/44/959630044.db2.gz YYNIPKRGZZUFSB-HPGRBHQUSA-N -1 0 380.445 0.782 20 0 GCADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594483072 959638483 /nfs/dbraw/zinc/63/84/83/959638483.db2.gz ANBIVJLWGMJAJP-VIFPVBQESA-N -1 0 381.414 0.436 20 0 GCADRM C[C@@](O)(CNC(=O)Nc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)C(=O)[O-] ZINC001603257288 972445330 /nfs/dbraw/zinc/44/53/30/972445330.db2.gz WKUKCJCWKNDAGW-QZTJIDSGSA-N -1 0 390.396 0.869 20 0 GCADRM Cc1nn(C)cc1[C@H](C)NC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001594484160 959654154 /nfs/dbraw/zinc/65/41/54/959654154.db2.gz FDLQVFXYZGVUHK-BBATYDOGSA-N -1 0 396.444 0.996 20 0 GCADRM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001573653308 959657102 /nfs/dbraw/zinc/65/71/02/959657102.db2.gz ATMJURPBTNDPAR-UKRRQHHQSA-N -1 0 394.472 0.398 20 0 GCADRM C[C@@](O)(CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)C(=O)[O-] ZINC001603262738 972448228 /nfs/dbraw/zinc/44/82/28/972448228.db2.gz CYEYNGNHUBQSJJ-CQSZACIVSA-N -1 0 376.818 0.729 20 0 GCADRM Cc1nn2cc(Br)cnc2c1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001594490077 959689100 /nfs/dbraw/zinc/68/91/00/959689100.db2.gz VVARHAJPZZOKQZ-QMMMGPOBSA-N -1 0 389.231 0.895 20 0 GCADRM Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001594262074 959701660 /nfs/dbraw/zinc/70/16/60/959701660.db2.gz FWYHENAXGRACJT-HNNXBMFYSA-N -1 0 396.396 0.913 20 0 GCADRM CC1(C)Cc2cccc(OCC(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])c2O1 ZINC001573678185 959730767 /nfs/dbraw/zinc/73/07/67/959730767.db2.gz KUJNLIYZOQFCKU-LBPRGKRZSA-N -1 0 383.422 0.489 20 0 GCADRM Cc1nc(SCCC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n[nH]1 ZINC001594494743 959738370 /nfs/dbraw/zinc/73/83/70/959738370.db2.gz LZLOYMJKFJKGDY-LLVKDONJSA-N -1 0 381.458 0.519 20 0 GCADRM C[C@]1(CS(=O)(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1(Cl)Cl ZINC001573683653 959741585 /nfs/dbraw/zinc/74/15/85/959741585.db2.gz HELUYAOYYJVLFH-JOYOIKCWSA-N -1 0 387.285 0.955 20 0 GCADRM Cc1c(NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cccc1-n1cnnn1 ZINC001594266532 959742732 /nfs/dbraw/zinc/74/27/32/959742732.db2.gz JUXQDZAFMDHDGQ-CYBMUJFWSA-N -1 0 387.400 0.558 20 0 GCADRM Cc1c(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cccc1-n1cnnn1 ZINC001594266534 959743097 /nfs/dbraw/zinc/74/30/97/959743097.db2.gz JUXQDZAFMDHDGQ-ZDUSSCGKSA-N -1 0 387.400 0.558 20 0 GCADRM C[C@@]1(c2cccc(NC(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)c2)NC(=O)NC1=O ZINC001573689317 959755059 /nfs/dbraw/zinc/75/50/59/959755059.db2.gz HBVDTZLJINYLBY-SGTLLEGYSA-N -1 0 388.380 0.003 20 0 GCADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC001588652613 959779716 /nfs/dbraw/zinc/77/97/16/959779716.db2.gz MQTZZRWAKIIMSM-UHFFFAOYSA-N -1 0 375.422 0.844 20 0 GCADRM CCN(C)C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000217898428 959780552 /nfs/dbraw/zinc/78/05/52/959780552.db2.gz WYBWCYKZNASJFH-UHFFFAOYSA-N -1 0 379.232 0.904 20 0 GCADRM COc1nn(C)cc1CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001604911527 972460594 /nfs/dbraw/zinc/46/05/94/972460594.db2.gz CTRCLXXDDDJTIE-NSHDSACASA-N -1 0 379.417 0.036 20 0 GCADRM COc1nsc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1Br ZINC001604911885 972461329 /nfs/dbraw/zinc/46/13/29/972461329.db2.gz IMJYOPDOUZOMGB-ZCFIWIBFSA-N -1 0 385.261 0.598 20 0 GCADRM 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0 392.474 0.686 20 0 GCADRM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001592684652 979115920 /nfs/dbraw/zinc/11/59/20/979115920.db2.gz DJMNRMGQYVIJJM-GHMZBOCLSA-N -1 0 378.447 0.248 20 0 GCADRM CC[C@@H](C)n1ncc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1C ZINC001595026111 979134881 /nfs/dbraw/zinc/13/48/81/979134881.db2.gz GFIHWFLRCLTVQG-MFKMUULPSA-N -1 0 379.417 0.293 20 0 GCADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1F ZINC000833318555 979156471 /nfs/dbraw/zinc/15/64/71/979156471.db2.gz KBCZBDYTFWKLOI-GXSJLCMTSA-N -1 0 384.385 0.498 20 0 GCADRM O=C([O-])c1cn(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)nn1 ZINC000833339588 979165240 /nfs/dbraw/zinc/16/52/40/979165240.db2.gz FTGIBJRZXJUTRQ-UHFFFAOYSA-N -1 0 399.454 0.007 20 0 GCADRM C[C@@H](CNS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001592716371 979216711 /nfs/dbraw/zinc/21/67/11/979216711.db2.gz SHZLJLWCJYTJLS-NSHDSACASA-N -1 0 378.472 0.435 20 0 GCADRM COC(=O)C1(O)CCN(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])CC1 ZINC000833702343 979225464 /nfs/dbraw/zinc/22/54/64/979225464.db2.gz ULAMZUQZMCSADC-UHFFFAOYSA-N -1 0 382.369 0.934 20 0 GCADRM COc1cc2nc(C)sc2cc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833730328 979233368 /nfs/dbraw/zinc/23/33/68/979233368.db2.gz SLPLLBBRQBJHAY-UHFFFAOYSA-N -1 0 393.421 0.990 20 0 GCADRM Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833745879 979235843 /nfs/dbraw/zinc/23/58/43/979235843.db2.gz GGJKZGDGXWJFHE-UHFFFAOYSA-N -1 0 391.424 0.208 20 0 GCADRM C[C@@](CO)(Cn1cnc2ccccc21)NS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592734803 979263170 /nfs/dbraw/zinc/26/31/70/979263170.db2.gz YTFOPLVLGCQQAZ-HNNXBMFYSA-N -1 0 379.398 0.187 20 0 GCADRM C[C@@](CO)(NC(=O)COc1cccc(I)c1)C(=O)[O-] ZINC001592741043 979274707 /nfs/dbraw/zinc/27/47/07/979274707.db2.gz DWFNVKPVKCGSPE-LBPRGKRZSA-N -1 0 379.150 0.622 20 0 GCADRM C[C@@](CO)(NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC001592741373 979275962 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20 0 GCADRM CO[C@@H]1Cc2ccc(NC(=O)C(=O)NCC3(C(=O)[O-])CCOCC3)cc2C1 ZINC000843047661 979332228 /nfs/dbraw/zinc/33/22/28/979332228.db2.gz ZNPLWVHYAXMIDO-OAHLLOKOSA-N -1 0 376.409 0.736 20 0 GCADRM C[C@@](CO)(NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)[O-] ZINC001592755966 979334532 /nfs/dbraw/zinc/33/45/32/979334532.db2.gz QNVVYLOULVQBTH-LBPRGKRZSA-N -1 0 384.332 0.093 20 0 GCADRM O=C([O-])COCC(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000843329767 979339701 /nfs/dbraw/zinc/33/97/01/979339701.db2.gz UAQXYNQUKVOTAL-UHFFFAOYSA-N -1 0 394.453 0.976 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000843332673 979340276 /nfs/dbraw/zinc/34/02/76/979340276.db2.gz ZAWKJWNNFVBSGE-QGZVFWFLSA-N -1 0 384.454 0.674 20 0 GCADRM C[C@@](CO)(NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC001592757078 979340555 /nfs/dbraw/zinc/34/05/55/979340555.db2.gz ZYILASLMVCKRMD-BONVTDFDSA-N -1 0 393.845 0.869 20 0 GCADRM Cn1cc(/C=C/C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(=O)n(C)c1=O ZINC000844157246 979345918 /nfs/dbraw/zinc/34/59/18/979345918.db2.gz NXUGYRIEVOQYKR-NDDJGDGRSA-N -1 0 383.404 0.352 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC001592761506 979350307 /nfs/dbraw/zinc/35/03/07/979350307.db2.gz CPPFHQNLZZAXMG-MEBBXXQBSA-N -1 0 388.467 0.036 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC001592761505 979350469 /nfs/dbraw/zinc/35/04/69/979350469.db2.gz CPPFHQNLZZAXMG-BONVTDFDSA-N -1 0 388.467 0.036 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001592761735 979352727 /nfs/dbraw/zinc/35/27/27/979352727.db2.gz HRTOYDLWEKFAQB-BXUZGUMPSA-N -1 0 384.454 0.576 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCc2occc2C(=O)[O-])cc1 ZINC001592761717 979352866 /nfs/dbraw/zinc/35/28/66/979352866.db2.gz HFLVRNRXQRTNOD-JTQLQIEISA-N -1 0 383.378 0.994 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001592762457 979356502 /nfs/dbraw/zinc/35/65/02/979356502.db2.gz QWAXBQBCUYAWDS-BXUZGUMPSA-N -1 0 386.470 0.965 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001592762265 979356812 /nfs/dbraw/zinc/35/68/12/979356812.db2.gz QHEZZKXFWWBPEJ-KCJUWKMLSA-N -1 0 398.359 0.481 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001592762263 979356955 /nfs/dbraw/zinc/35/69/55/979356955.db2.gz QHEZZKXFWWBPEJ-GZMMTYOYSA-N -1 0 398.359 0.481 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC001592762543 979357475 /nfs/dbraw/zinc/35/74/75/979357475.db2.gz UBMVIKZPGZFUML-BLQFLSLASA-N -1 0 382.438 0.568 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001592762667 979358848 /nfs/dbraw/zinc/35/88/48/979358848.db2.gz VBGYOFGUPODKBM-GFCCVEGCSA-N -1 0 384.454 0.863 20 0 GCADRM C[C@@H](COCC(F)(F)F)NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001592769324 979379501 /nfs/dbraw/zinc/37/95/01/979379501.db2.gz NHVOEANZHAYFSL-QMMMGPOBSA-N -1 0 380.323 0.725 20 0 GCADRM CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000844243755 979388844 /nfs/dbraw/zinc/38/88/44/979388844.db2.gz HPLZZGKHICMMKM-CQSZACIVSA-N -1 0 378.425 0.788 20 0 GCADRM C[C@H](COCC1CC1)NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592777163 979406051 /nfs/dbraw/zinc/40/60/51/979406051.db2.gz XYQFRPMEMSIPLT-DHFKXCJNSA-N -1 0 388.486 0.911 20 0 GCADRM CN(CC(=O)NC[C@H](CC1CC1)C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000846128826 979411581 /nfs/dbraw/zinc/41/15/81/979411581.db2.gz UGHTYPPYJPKFNT-LBPRGKRZSA-N -1 0 379.438 0.684 20 0 GCADRM CN(CC(=O)NC[C@@H](CC1CC1)C(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000846128825 979411783 /nfs/dbraw/zinc/41/17/83/979411783.db2.gz UGHTYPPYJPKFNT-GFCCVEGCSA-N -1 0 379.438 0.684 20 0 GCADRM CCC(CC)[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCOCC1 ZINC001595106122 979428691 /nfs/dbraw/zinc/42/86/91/979428691.db2.gz GBXIPOKRWMXQSW-INIZCTEOSA-N -1 0 391.534 0.754 20 0 GCADRM C[C@@H](CS(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)C(=O)[O-] ZINC001592800116 979457872 /nfs/dbraw/zinc/45/78/72/979457872.db2.gz KHYVGXWBXWCGRQ-SMDDNHRTSA-N -1 0 391.467 0.514 20 0 GCADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccnc(C(=O)[O-])c3)no2)cn1 ZINC000846704886 979461633 /nfs/dbraw/zinc/46/16/33/979461633.db2.gz UMKWOLPSOZXCPU-CYBMUJFWSA-N -1 0 384.352 0.777 20 0 GCADRM C[C@@H](CS(=O)(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)C(=O)[O-] ZINC001592808320 979481896 /nfs/dbraw/zinc/48/18/96/979481896.db2.gz RFZPRNXFJWHAJA-HNNXBMFYSA-N -1 0 381.498 0.981 20 0 GCADRM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001592813565 979495623 /nfs/dbraw/zinc/49/56/23/979495623.db2.gz CQNBQEPBPOEDBA-JTQLQIEISA-N -1 0 384.389 0.342 20 0 GCADRM C[C@H](C[S@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592822712 979530471 /nfs/dbraw/zinc/53/04/71/979530471.db2.gz SBOMLNRBENYOGR-QYOLQKOISA-N -1 0 381.454 0.807 20 0 GCADRM C[C@@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 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ZINC001589691354 987758816 /nfs/dbraw/zinc/75/88/16/987758816.db2.gz VRPYKFYPMXMLPV-UHFFFAOYSA-N -1 0 384.351 0.948 20 0 GCADRM CC(C)(C)C(=O)NCCNC(=O)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001589692837 987761557 /nfs/dbraw/zinc/76/15/57/987761557.db2.gz JULLXCOGXBGDHK-UHFFFAOYSA-N -1 0 384.820 0.328 20 0 GCADRM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])s1 ZINC001589693661 987767865 /nfs/dbraw/zinc/76/78/65/987767865.db2.gz UXNXAAXZUASUOO-OAHLLOKOSA-N -1 0 392.499 0.567 20 0 GCADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001589699425 987785201 /nfs/dbraw/zinc/78/52/01/987785201.db2.gz FMWVMKZQZSCRED-CQSZACIVSA-N -1 0 391.472 0.911 20 0 GCADRM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NCc2nnnn2CC2CC2)s1 ZINC001597438675 987793775 /nfs/dbraw/zinc/79/37/75/987793775.db2.gz OQQWQQIGYNPASV-UHFFFAOYSA-N -1 0 378.414 0.660 20 0 GCADRM CC(C)(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001589710106 987831604 /nfs/dbraw/zinc/83/16/04/987831604.db2.gz 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CSC[C@@H](C(=O)Nc1cc(C(=O)[O-])nn1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001599789794 987988548 /nfs/dbraw/zinc/98/85/48/987988548.db2.gz NQYAAHUETOZWAL-UMNHJUIQSA-N -1 0 394.453 0.964 20 0 GCADRM CSC[C@H](C(=O)NC[C@]1(C(=O)[O-])CCOC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001599790148 987993729 /nfs/dbraw/zinc/99/37/29/987993729.db2.gz SDEHZSZFKVWQSW-SJBDTSRBSA-N -1 0 398.481 0.501 20 0 GCADRM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001589737447 987993989 /nfs/dbraw/zinc/99/39/89/987993989.db2.gz NOINEUARBAGAJC-BWACUDIHSA-N -1 0 388.486 0.418 20 0 GCADRM CSC[C@@](C)(O)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001599790294 987996251 /nfs/dbraw/zinc/99/62/51/987996251.db2.gz FNQDVNSGHOZYEA-ZISVTKSWSA-N -1 0 394.515 0.210 20 0 GCADRM CSC[C@H](C)C(=O)N1CCC(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001599792281 988030524 /nfs/dbraw/zinc/03/05/24/988030524.db2.gz JXRLLVYFOPIWHD-LBPRGKRZSA-N -1 0 387.502 0.321 20 0 GCADRM CSC[C@H](C)C(=O)N1CCC(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])CC1 ZINC001599793128 988044905 /nfs/dbraw/zinc/04/49/05/988044905.db2.gz YNPXZOMCMBUWPE-WCQYABFASA-N -1 0 385.486 0.026 20 0 GCADRM CCc1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001597500917 988060522 /nfs/dbraw/zinc/06/05/22/988060522.db2.gz CZUMOZCJDAQMPN-HUUCEWRRSA-N -1 0 396.465 0.720 20 0 GCADRM CCc1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001597502866 988069613 /nfs/dbraw/zinc/06/96/13/988069613.db2.gz JPWRBAKFHZWFAD-CABCVRRESA-N -1 0 396.465 0.863 20 0 GCADRM CSCC[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001599794659 988075305 /nfs/dbraw/zinc/07/53/05/988075305.db2.gz RRIKUTZBZNHGRN-XQQFMLRXSA-N -1 0 384.454 0.985 20 0 GCADRM CCc1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)c(C(=O)[O-])c1 ZINC001597535667 988206634 /nfs/dbraw/zinc/20/66/34/988206634.db2.gz PZPSVWQVJNNJKV-UHFFFAOYSA-N -1 0 377.397 0.203 20 0 GCADRM CCc1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)c(C(=O)[O-])c1 ZINC001597536757 988213510 /nfs/dbraw/zinc/21/35/10/988213510.db2.gz HEDLOORVICCBOD-ZDUSSCGKSA-N -1 0 377.397 0.249 20 0 GCADRM CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1=O ZINC001589803080 988216665 /nfs/dbraw/zinc/21/66/65/988216665.db2.gz XSFAZBQQJVOURH-NWDGAFQWSA-N -1 0 378.433 0.722 20 0 GCADRM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001589824556 988288527 /nfs/dbraw/zinc/28/85/27/988288527.db2.gz HGHXDKBUSCOPDF-QWHCGFSZSA-N -1 0 379.457 0.605 20 0 GCADRM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589825612 988295061 /nfs/dbraw/zinc/29/50/61/988295061.db2.gz YHSMFTCLAROPCE-KGLIPLIRSA-N -1 0 381.473 0.996 20 0 GCADRM CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001597562591 988308001 /nfs/dbraw/zinc/30/80/01/988308001.db2.gz KAWBOOAYABDDLP-UHFFFAOYSA-N -1 0 378.410 0.639 20 0 GCADRM CC(C)(C)NS(=O)(=O)C1(CNS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC001589834084 988308685 /nfs/dbraw/zinc/30/86/85/988308685.db2.gz ANFUSPXHRFPNTJ-UHFFFAOYSA-N -1 0 394.471 0.897 20 0 GCADRM CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCO[C@H](CC(=O)[O-])C2)CCC1 ZINC001589834660 988312560 /nfs/dbraw/zinc/31/25/60/988312560.db2.gz LMMDMODLPBUEBT-OLZOCXBDSA-N -1 0 378.491 0.163 20 0 GCADRM CC(C)(C)NS(=O)(=O)C1(CNC(=O)Nc2ccc(C(=O)[O-])nn2)CCC1 ZINC001589835246 988316430 /nfs/dbraw/zinc/31/64/30/988316430.db2.gz YSRZYNYUIAHTEJ-UHFFFAOYSA-N -1 0 385.446 0.937 20 0 GCADRM CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCOC[C@@H]2CC(=O)[O-])CCC1 ZINC001589835199 988316558 /nfs/dbraw/zinc/31/65/58/988316558.db2.gz WQIVTCYYYPKLRC-QWHCGFSZSA-N -1 0 378.491 0.163 20 0 GCADRM CC(C)(C)NS(=O)(=O)c1cc(NC(=O)Cn2cc(C(=O)[O-])nn2)ccc1F ZINC001589839209 988323630 /nfs/dbraw/zinc/32/36/30/988323630.db2.gz XJIFXBQVQIAHRK-UHFFFAOYSA-N -1 0 399.404 0.831 20 0 GCADRM CC(C)(C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C(=O)[O-] ZINC001589839612 988326902 /nfs/dbraw/zinc/32/69/02/988326902.db2.gz IIEAGTDWVLTUNJ-UHFFFAOYSA-N -1 0 378.472 0.905 20 0 GCADRM CC(C)(C)OC(=O)C1(C(=O)N[C@@H](CC(F)F)C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589849382 988373853 /nfs/dbraw/zinc/37/38/53/988373853.db2.gz UGHRWZBUAYZQAI-VIFPVBQESA-N -1 0 399.412 0.748 20 0 GCADRM CC(C)(C)OC(=O)C1(CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCOCC1 ZINC001589855004 988394415 /nfs/dbraw/zinc/39/44/15/988394415.db2.gz MDAGRUMDDRLANZ-CHWSQXEVSA-N -1 0 386.445 0.914 20 0 GCADRM CSc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])CC2=O)cc1 ZINC001599814788 988402143 /nfs/dbraw/zinc/40/21/43/988402143.db2.gz RGAMGPYOGULYSS-FZMZJTMJSA-N -1 0 391.449 0.563 20 0 GCADRM CSc1ccc(Cl)cc1NC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001599815072 988407475 /nfs/dbraw/zinc/40/74/75/988407475.db2.gz WLHUQAWFJOKTGL-JTQLQIEISA-N -1 0 385.829 0.754 20 0 GCADRM CC(C)(C)OC(=O)[C@@H]1CC(C(=O)NC[C@](C)(O)C(=O)[O-])=NN1c1ccccc1 ZINC001589857136 988407486 /nfs/dbraw/zinc/40/74/86/988407486.db2.gz GLLBKJKMPPIYTP-LIRRHRJNSA-N -1 0 391.424 0.915 20 0 GCADRM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(CC(=O)[O-])CC2)CCO1 ZINC001589861934 988447612 /nfs/dbraw/zinc/44/76/12/988447612.db2.gz PVKWVJQMXSWCHQ-ZDUSSCGKSA-N -1 0 384.429 0.269 20 0 GCADRM CCc1ccccc1-n1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])nn1 ZINC001597603688 988472378 /nfs/dbraw/zinc/47/23/78/988472378.db2.gz OOVKQDCDMMYFPL-CQSZACIVSA-N -1 0 378.410 0.154 20 0 GCADRM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001589872165 988502552 /nfs/dbraw/zinc/50/25/52/988502552.db2.gz OAKCJAIKZQPTMV-STQMWFEESA-N -1 0 384.429 0.269 20 0 GCADRM CCc1ccccc1NC(=O)CNC(=O)CN1C[C@H](OC)C[C@@]1(C)C(=O)[O-] ZINC001597615212 988532587 /nfs/dbraw/zinc/53/25/87/988532587.db2.gz WHMJCTIRBFJXJT-KUHUBIRLSA-N -1 0 377.441 0.868 20 0 GCADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])C(=O)CCN1C(=O)CCNC1=S ZINC001589878066 988544175 /nfs/dbraw/zinc/54/41/75/988544175.db2.gz SCPYOAFQOAFNQH-UHFFFAOYSA-N -1 0 387.458 0.128 20 0 GCADRM CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])C1=O ZINC001589889595 988566715 /nfs/dbraw/zinc/56/67/15/988566715.db2.gz AMWASICAJCMIBG-OUCADQQQSA-N -1 0 384.429 0.003 20 0 GCADRM CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCCOCC(=O)[O-])C1=O ZINC001589889732 988567554 /nfs/dbraw/zinc/56/75/54/988567554.db2.gz CZXYSMOEAUEASO-LBPRGKRZSA-N -1 0 387.433 0.110 20 0 GCADRM CSc1ccccc1NC(=O)CN(C)C(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001599825088 988584916 /nfs/dbraw/zinc/58/49/16/988584916.db2.gz HDULXKKWGGXAMY-DGCLKSJQSA-N -1 0 381.454 0.325 20 0 GCADRM CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCOC[C@@H]1CC(=O)[O-] ZINC001599825167 988585904 /nfs/dbraw/zinc/58/59/04/988585904.db2.gz KFFDSIWWYYNYIZ-ZDUSSCGKSA-N -1 0 395.481 0.981 20 0 GCADRM CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCC(O)(C(=O)[O-])CC1 ZINC001599825416 988590493 /nfs/dbraw/zinc/59/04/93/988590493.db2.gz XLMWFXZSJIZQRG-UHFFFAOYSA-N -1 0 395.481 0.717 20 0 GCADRM CC(C)(C)OC(=O)COCCOCCNC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001589898432 988590764 /nfs/dbraw/zinc/59/07/64/988590764.db2.gz FFYJGFCYQDBMHR-VBHSOAQHSA-N -1 0 386.445 0.914 20 0 GCADRM CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1=O ZINC001589901619 988612180 /nfs/dbraw/zinc/61/21/80/988612180.db2.gz VUAJTORMRFEPDH-GXTWGEPZSA-N -1 0 380.397 0.240 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001589920875 988657579 /nfs/dbraw/zinc/65/75/79/988657579.db2.gz QSQCFKQAIIDFPM-AAEUAGOBSA-N -1 0 383.445 0.824 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001589924921 988663898 /nfs/dbraw/zinc/66/38/98/988663898.db2.gz CMXSBNFCVRJDFF-CQSZACIVSA-N -1 0 386.445 0.697 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001589925055 988666479 /nfs/dbraw/zinc/66/64/79/988666479.db2.gz HIEWBBIGQBZWBT-LBPRGKRZSA-N -1 0 390.458 0.344 20 0 GCADRM CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC001589928438 988676412 /nfs/dbraw/zinc/67/64/12/988676412.db2.gz DIIWLWDXRPJIKQ-UHFFFAOYSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3C[C@H](O)C[C@H](C(=O)[O-])C3)CCC2)C1 ZINC001589928790 988680166 /nfs/dbraw/zinc/68/01/66/988680166.db2.gz KGFKDXDNWKWAJF-QWHCGFSZSA-N -1 0 398.456 0.433 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N[C@]2(C(=O)[O-])CCSC2)C1 ZINC001589929506 988685837 /nfs/dbraw/zinc/68/58/37/988685837.db2.gz DGRSHVSMQMSRJF-CQSZACIVSA-N -1 0 380.488 0.733 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)C1 ZINC001589929995 988689967 /nfs/dbraw/zinc/68/99/67/988689967.db2.gz NNMJUSGZJNEQEU-HNNXBMFYSA-N -1 0 378.447 0.264 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)C1 ZINC001589938627 988696186 /nfs/dbraw/zinc/69/61/86/988696186.db2.gz BHGPZCIODSGGIX-GFCCVEGCSA-N -1 0 378.447 0.093 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@]1(C)CCC(=O)N1)C[C@@H]2C(=O)[O-] ZINC001589939076 988700822 /nfs/dbraw/zinc/70/08/22/988700822.db2.gz LCNCDULQIUGXLD-DIFFPNOSSA-N -1 0 381.429 0.435 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)C1 ZINC001589940180 988711179 /nfs/dbraw/zinc/71/11/79/988711179.db2.gz MIPXUHZUKJBJHK-ZDUSSCGKSA-N -1 0 386.445 0.841 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001589940311 988713638 /nfs/dbraw/zinc/71/36/38/988713638.db2.gz RHMTZNMKFCFVPR-NVGCLXPQSA-N -1 0 382.417 0.282 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001589940364 988714676 /nfs/dbraw/zinc/71/46/76/988714676.db2.gz ACCRZMJUJRFGHT-NWDGAFQWSA-N -1 0 384.429 0.966 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)OCCN2S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001589940451 988715418 /nfs/dbraw/zinc/71/54/18/988715418.db2.gz CHOHDOOLOJEGKR-UHFFFAOYSA-N -1 0 390.458 0.850 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N[C@@]1(C(=O)[O-])CCSC1)=NO2 ZINC001589941189 988720995 /nfs/dbraw/zinc/72/09/95/988720995.db2.gz GQCZTFBYBFRZQO-INIZCTEOSA-N -1 0 385.442 0.829 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCCCC1=O)C[C@@H]2C(=O)[O-] ZINC001589947719 988737777 /nfs/dbraw/zinc/73/77/77/988737777.db2.gz HCPPGXIBGNTIKF-CYBMUJFWSA-N -1 0 395.456 0.779 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(CC(=O)Nc1cnccn1)C[C@@H]2C(=O)[O-] ZINC001589949905 988746881 /nfs/dbraw/zinc/74/68/81/988746881.db2.gz XBHSQHWOUWKVLV-GFCCVEGCSA-N -1 0 391.428 0.669 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)OCC(=O)NCC(=O)[O-])C[C@@H](C1)C2=O ZINC001589954178 988753878 /nfs/dbraw/zinc/75/38/78/988753878.db2.gz IJLWXIDJSWXSMN-YOGCLGLASA-N -1 0 398.412 0.193 20 0 GCADRM CCc1nc(CN2CCN(S(=O)(=O)c3cncc(C(=O)[O-])c3)CC2)no1 ZINC001597668948 988755650 /nfs/dbraw/zinc/75/56/50/988755650.db2.gz MXJSPCPBIYEMNX-UHFFFAOYSA-N -1 0 381.414 0.232 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)C1 ZINC001589955880 988761691 /nfs/dbraw/zinc/76/16/91/988761691.db2.gz SAAAMZFFAWRXPJ-DLBZAZTESA-N -1 0 388.392 0.010 20 0 GCADRM 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C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC001593703022 996178305 /nfs/dbraw/zinc/17/83/05/996178305.db2.gz JRJPELZVZRWKGF-VIFPVBQESA-N -1 0 381.414 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)C[C@@H]1C(=O)[O-] ZINC001598805372 996181128 /nfs/dbraw/zinc/18/11/28/996181128.db2.gz DEERBWYUWXMIOD-QWHCGFSZSA-N -1 0 391.355 0.641 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)C[C@@H]1C(=O)[O-] ZINC001598805462 996181846 /nfs/dbraw/zinc/18/18/46/996181846.db2.gz CJWZORBJZLVAJE-GFQSEFKGSA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2CCC(S(C)(=O)=O)CC2)C[C@@H]1C(=O)[O-] ZINC001598805771 996184702 /nfs/dbraw/zinc/18/47/02/996184702.db2.gz ANXSBNCYDJMSLI-IFWUJCSASA-N -1 0 390.458 0.105 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2CCC(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001598805769 996184734 /nfs/dbraw/zinc/18/47/34/996184734.db2.gz ANXSBNCYDJMSLI-FIYWTHMPSA-N -1 0 390.458 0.105 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598805744 996184801 /nfs/dbraw/zinc/18/48/01/996184801.db2.gz DIQIYBHNTIUEMN-XDQVBPFNSA-N -1 0 385.461 0.389 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C[C@H]1C(=O)[O-] ZINC001598805922 996186223 /nfs/dbraw/zinc/18/62/23/996186223.db2.gz FVNBDJPSYLQLLV-CABCVRRESA-N -1 0 395.481 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2O[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598806565 996192747 /nfs/dbraw/zinc/19/27/47/996192747.db2.gz GYSFXEXJHSPBQF-RRFJBIMHSA-N -1 0 377.393 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2O[C@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598806567 996192779 /nfs/dbraw/zinc/19/27/79/996192779.db2.gz GYSFXEXJHSPBQF-SOUVJXGZSA-N -1 0 377.393 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806645 996193699 /nfs/dbraw/zinc/19/36/99/996193699.db2.gz IEAZYIALVLAWOD-OAGGEKHMSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCn2nc(C(F)(F)F)cc2C)C[C@@H]1C(=O)[O-] ZINC001598806840 996195442 /nfs/dbraw/zinc/19/54/42/996195442.db2.gz GEITVESUGKANFK-UWVGGRQHSA-N -1 0 392.334 0.726 20 0 GCADRM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593706580 996197540 /nfs/dbraw/zinc/19/75/40/996197540.db2.gz REAZSSWLVUBGPR-CYBMUJFWSA-N -1 0 388.428 0.837 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598807225 996198611 /nfs/dbraw/zinc/19/86/11/996198611.db2.gz HUBUHQMBSTZXPZ-GKKDLHFNSA-N -1 0 385.417 0.583 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001598807188 996198687 /nfs/dbraw/zinc/19/86/87/996198687.db2.gz JMGCEBOYBLNRTH-YNEHKIRRSA-N -1 0 375.381 0.089 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)C[C@@H]1C(=O)[O-] ZINC001598807187 996198726 /nfs/dbraw/zinc/19/87/26/996198726.db2.gz JMGCEBOYBLNRTH-XQQFMLRXSA-N -1 0 375.381 0.089 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC001598807313 996199237 /nfs/dbraw/zinc/19/92/37/996199237.db2.gz LWNCFDXMZGLFJL-ZWKOPEQDSA-N -1 0 382.800 0.791 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2Br)C[C@H]1C(=O)[O-] ZINC001598807380 996199689 /nfs/dbraw/zinc/19/96/89/996199689.db2.gz MFBPFQMMUJOADV-CKYFFXLPSA-N -1 0 385.214 0.781 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598807494 996200803 /nfs/dbraw/zinc/20/08/03/996200803.db2.gz KBOOGJNCJHQWGK-VXGBXAGGSA-N -1 0 385.417 0.465 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)C[C@H]1C(=O)[O-] ZINC001598807815 996204045 /nfs/dbraw/zinc/20/40/45/996204045.db2.gz LHDWSXVFSRFADJ-KJWHEZOQSA-N -1 0 381.429 0.149 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC001598808221 996207008 /nfs/dbraw/zinc/20/70/08/996207008.db2.gz MIEZGWQZPPEFEJ-GJZGRUSLSA-N -1 0 375.356 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(Br)cnn2C)C[C@H]1C(=O)[O-] ZINC001598808457 996209349 /nfs/dbraw/zinc/20/93/49/996209349.db2.gz MBCFRCNMSRYJKY-SFYZADRCSA-N -1 0 389.206 0.198 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COc3cc(OC)ccc3C2)C[C@H]1C(=O)[O-] ZINC001598808660 996211112 /nfs/dbraw/zinc/21/11/12/996211112.db2.gz ODGSXRYTWUYLLU-IACUBPJLSA-N -1 0 378.381 0.514 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598808992 996213816 /nfs/dbraw/zinc/21/38/16/996213816.db2.gz QLADAVBPEBYSDL-GMTAPVOTSA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN(C)C(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598809059 996214177 /nfs/dbraw/zinc/21/41/77/996214177.db2.gz GQIWCUNYFXLIJZ-ZIAGYGMSSA-N -1 0 378.381 0.587 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@H]1C(=O)[O-] ZINC001598809242 996216145 /nfs/dbraw/zinc/21/61/45/996216145.db2.gz PPEKRTAVIRIRQP-RKDXNWHRSA-N -1 0 376.287 0.199 20 0 GCADRM C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001593712873 996216699 /nfs/dbraw/zinc/21/66/99/996216699.db2.gz GUVKCFKADYJLGE-NRXGSXMXSA-N -1 0 380.416 0.678 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)C[C@H]1C(=O)[O-] ZINC001598809490 996217856 /nfs/dbraw/zinc/21/78/56/996217856.db2.gz SFLXGIGHHOLPIQ-OLZOCXBDSA-N -1 0 399.440 0.847 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C[C@@H]1C(=O)[O-] ZINC001598809554 996218607 /nfs/dbraw/zinc/21/86/07/996218607.db2.gz IDXVTHGFRDGVLJ-UONOGXRCSA-N -1 0 392.383 0.827 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598809527 996218687 /nfs/dbraw/zinc/21/86/87/996218687.db2.gz QSOREBMILCYMIT-UONOGXRCSA-N -1 0 398.437 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598809572 996219195 /nfs/dbraw/zinc/21/91/95/996219195.db2.gz SOHBACOMKUEEAP-IFWUJCSASA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C[C@H]1C(=O)[O-] ZINC001598809626 996219246 /nfs/dbraw/zinc/21/92/46/996219246.db2.gz QUOITOMGNNJOEW-NXEZZACHSA-N -1 0 389.330 0.723 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598809857 996221763 /nfs/dbraw/zinc/22/17/63/996221763.db2.gz UDLDNDIPJLUCAF-STQMWFEESA-N -1 0 383.445 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598809918 996222228 /nfs/dbraw/zinc/22/22/28/996222228.db2.gz VASMIKNLARBYCL-SNCMPBNLSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1C(=O)[O-] ZINC001598810030 996223228 /nfs/dbraw/zinc/22/32/28/996223228.db2.gz SRAODSNPYMSVGN-UWVGGRQHSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCc2nnc(-c3ccccc3)o2)C[C@H]1C(=O)[O-] ZINC001598810134 996224088 /nfs/dbraw/zinc/22/40/88/996224088.db2.gz RYZZDJMZGXXCCA-OLZOCXBDSA-N -1 0 388.380 0.794 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2nccn2C)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598810428 996226664 /nfs/dbraw/zinc/22/66/64/996226664.db2.gz KRLHODLCOLGXMR-AEJSXWLSSA-N -1 0 377.319 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598810550 996227924 /nfs/dbraw/zinc/22/79/24/996227924.db2.gz WHNDJZZLFMCKKP-YUSALJHKSA-N -1 0 388.380 0.013 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@@H]2COc3ccccc3O2)C[C@H]1C(=O)[O-] ZINC001598810642 996228529 /nfs/dbraw/zinc/22/85/29/996228529.db2.gz UVQDHNHFTMAVGK-JHJVBQTASA-N -1 0 378.381 0.732 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598810618 996228611 /nfs/dbraw/zinc/22/86/11/996228611.db2.gz USDWJMUGLLFZFZ-CYDGBPFRSA-N -1 0 399.444 0.805 20 0 GCADRM C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593714189 996228773 /nfs/dbraw/zinc/22/87/73/996228773.db2.gz VYJGTFAYEAWGCR-LLVKDONJSA-N -1 0 383.832 0.957 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)Cc3ccc(C)cc3C(=O)O2)C[C@@H]1C(=O)[O-] ZINC001598810704 996229128 /nfs/dbraw/zinc/22/91/28/996229128.db2.gz XFEXDEKMVSMOMR-IQUTYRLHSA-N -1 0 375.377 0.799 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C[C@@H]1C(=O)[O-] ZINC001598810732 996229212 /nfs/dbraw/zinc/22/92/12/996229212.db2.gz VCXMGTPUMARANV-GRYCIOLGSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C[C@@H]1C(=O)[O-] ZINC001598811088 996232045 /nfs/dbraw/zinc/23/20/45/996232045.db2.gz YNZYYNKMZDGYFK-OEFFGFFESA-N -1 0 386.364 0.390 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCN(Cc2ccccc2)C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598811269 996233655 /nfs/dbraw/zinc/23/36/55/996233655.db2.gz NHODQDMCWUDRFN-HOTGVXAUSA-N -1 0 376.409 0.757 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001598811267 996233836 /nfs/dbraw/zinc/23/38/36/996233836.db2.gz APOOYZRGKWMCBT-QJPTWQEYSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccc3c2OCCCO3)C[C@@H]1C(=O)[O-] ZINC001598811613 996236655 /nfs/dbraw/zinc/23/66/55/996236655.db2.gz AWSLUPZKPORARV-STQMWFEESA-N -1 0 378.381 0.863 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598811687 996237403 /nfs/dbraw/zinc/23/74/03/996237403.db2.gz BHXUFWKIMHWLOB-RYUDHWBXSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)C[C@H]1C(=O)[O-] ZINC001598811880 996238949 /nfs/dbraw/zinc/23/89/49/996238949.db2.gz ZZITVHNWIQEZPE-WZRBSPASSA-N -1 0 382.438 0.835 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](n2cccn2)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598812006 996239505 /nfs/dbraw/zinc/23/95/05/996239505.db2.gz YAEALEAJVYUELQ-AEJSXWLSSA-N -1 0 378.307 0.502 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC001598812028 996240078 /nfs/dbraw/zinc/24/00/78/996240078.db2.gz YBXKNLYXJJRIIQ-VXGBXAGGSA-N -1 0 397.815 0.585 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598813223 996249010 /nfs/dbraw/zinc/24/90/10/996249010.db2.gz UEPHIZKOWBZLBH-GHMZBOCLSA-N -1 0 394.380 0.187 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@H]1C(=O)[O-] ZINC001598813746 996251900 /nfs/dbraw/zinc/25/19/00/996251900.db2.gz HVIQAKAUTCZHLS-MNOVXSKESA-N -1 0 379.369 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(N3CCNC3=O)c2C)C[C@H]1C(=O)[O-] ZINC001598814265 996256591 /nfs/dbraw/zinc/25/65/91/996256591.db2.gz JZOLWOVRZFSWJQ-VXGBXAGGSA-N -1 0 390.396 0.862 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)C[C@H]1C(=O)[O-] ZINC001598814543 996258776 /nfs/dbraw/zinc/25/87/76/996258776.db2.gz IYGJKQUPUUANSS-CABCVRRESA-N -1 0 375.381 0.886 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(C)nn2Cc2ccccn2)C[C@@H]1C(=O)[O-] ZINC001598814572 996258830 /nfs/dbraw/zinc/25/88/30/996258830.db2.gz IYGMPDRYHYFJOH-UONOGXRCSA-N -1 0 387.396 0.972 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2-n2cncn2)C[C@@H]1C(=O)[O-] ZINC001598815239 996265026 /nfs/dbraw/zinc/26/50/26/996265026.db2.gz GJOAPFDHKDDSMJ-NWDGAFQWSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C(=O)[O-] ZINC001598815327 996265481 /nfs/dbraw/zinc/26/54/81/996265481.db2.gz OYKHOEPYGUMZME-UONOGXRCSA-N -1 0 375.381 0.916 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1C(=O)OC ZINC001598817110 996282534 /nfs/dbraw/zinc/28/25/34/996282534.db2.gz MJNWRSPUKWJKQC-KBPBESRZSA-N -1 0 393.392 0.801 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@H]1C(=O)[O-] ZINC001598817214 996283250 /nfs/dbraw/zinc/28/32/50/996283250.db2.gz UCNOFICPXPIMGS-KBUPBQIOSA-N -1 0 395.456 0.145 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598817894 996291169 /nfs/dbraw/zinc/29/11/69/996291169.db2.gz WTLDRQLWJBQXOD-GARJFASQSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)C[C@@H]1C(=O)[O-] ZINC001598818264 996294867 /nfs/dbraw/zinc/29/48/67/996294867.db2.gz PYOQCMBLLLEHRF-RYUDHWBXSA-N -1 0 390.371 0.848 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@@H]1C(=O)[O-] ZINC001598818408 996296660 /nfs/dbraw/zinc/29/66/60/996296660.db2.gz XYPCVTYXTHSSLB-QWRGUYRKSA-N -1 0 379.344 0.449 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(Br)nn2C)C[C@H]1C(=O)[O-] ZINC001598818562 996297905 /nfs/dbraw/zinc/29/79/05/996297905.db2.gz YJYYGXJKWZERGR-RQJHMYQMSA-N -1 0 375.179 0.520 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598818956 996303134 /nfs/dbraw/zinc/30/31/34/996303134.db2.gz MVJPGNPIKBNFTO-CYZMBNFOSA-N -1 0 380.397 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2NS(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598819140 996305198 /nfs/dbraw/zinc/30/51/98/996305198.db2.gz ZRXOIAYEYJAZQO-NWDGAFQWSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@H]1C(=O)[O-] ZINC001598819496 996308719 /nfs/dbraw/zinc/30/87/19/996308719.db2.gz UXPHYHREDJNXNG-BDAKNGLRSA-N -1 0 390.801 0.084 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C[C@@H]1C(=O)[O-] ZINC001598819963 996313835 /nfs/dbraw/zinc/31/38/35/996313835.db2.gz VXRFPIHDXAIIEN-WDEREUQCSA-N -1 0 375.385 0.373 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C[C@H]1C(=O)[O-] ZINC001598819960 996313897 /nfs/dbraw/zinc/31/38/97/996313897.db2.gz VXRFPIHDXAIIEN-GHMZBOCLSA-N -1 0 375.385 0.373 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)C[C@H]1C(=O)[O-] ZINC001598819961 996314101 /nfs/dbraw/zinc/31/41/01/996314101.db2.gz VXRFPIHDXAIIEN-MNOVXSKESA-N -1 0 375.385 0.373 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc3c(F)cc(F)cc3c2O)C[C@H]1C(=O)[O-] ZINC001598819991 996314576 /nfs/dbraw/zinc/31/45/76/996314576.db2.gz DXDVITALGJFGFK-MNOVXSKESA-N -1 0 380.303 0.752 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnccc2NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598820048 996315458 /nfs/dbraw/zinc/31/54/58/996315458.db2.gz FIBZGVIEZIENSB-NWDGAFQWSA-N -1 0 393.396 0.796 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1C(=O)[O-] ZINC001598821173 996329118 /nfs/dbraw/zinc/32/91/18/996329118.db2.gz JOYLZLUZSLDZNQ-NWDGAFQWSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598821253 996329606 /nfs/dbraw/zinc/32/96/06/996329606.db2.gz ZNKKWGRJFYKVBG-RYUDHWBXSA-N -1 0 395.799 0.815 20 0 GCADRM C[C@H](c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C[C@H]1CCOC1)C(C)(C)O ZINC001593737074 996331745 /nfs/dbraw/zinc/33/17/45/996331745.db2.gz BWAJOMXTBYEWQI-SYQHCUMBSA-N -1 0 382.461 0.867 20 0 GCADRM C[C@H](c1nnc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)n1C[C@@H]1CCOC1)C(C)(C)O ZINC001593737067 996331809 /nfs/dbraw/zinc/33/18/09/996331809.db2.gz BWAJOMXTBYEWQI-MQYQWHSLSA-N -1 0 382.461 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001598821476 996332422 /nfs/dbraw/zinc/33/24/22/996332422.db2.gz KAKYDFGNCRISQE-HTQZYQBOSA-N -1 0 375.150 0.929 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001593737297 996334091 /nfs/dbraw/zinc/33/40/91/996334091.db2.gz MPQAHWLZZHRZSN-YVEFUNNKSA-N -1 0 380.470 0.672 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC001593737294 996334429 /nfs/dbraw/zinc/33/44/29/996334429.db2.gz MPQAHWLZZHRZSN-PXAZEXFGSA-N -1 0 380.470 0.672 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2coc3c2C(=O)NCC(C)(C)C3)C[C@@H]1C(=O)[O-] ZINC001598821773 996336030 /nfs/dbraw/zinc/33/60/30/996336030.db2.gz LXXUFMAQDFJQKJ-VHSXEESVSA-N -1 0 378.381 0.538 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001598821938 996338524 /nfs/dbraw/zinc/33/85/24/996338524.db2.gz MUFAETNSTDWAAI-ZJUUUORDSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)C[C@@H]1C(=O)[O-] ZINC001598821945 996338528 /nfs/dbraw/zinc/33/85/28/996338528.db2.gz MWCXWUGYSGECCY-ADEWGFFLSA-N -1 0 375.381 0.409 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001593737717 996338772 /nfs/dbraw/zinc/33/87/72/996338772.db2.gz KAWUNZGBYRZQHL-LBPRGKRZSA-N -1 0 388.515 0.863 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)C[C@H]1C(=O)[O-] ZINC001598823460 996355734 /nfs/dbraw/zinc/35/57/34/996355734.db2.gz CTPKKKUIWZSENK-WCVJEAGWSA-N -1 0 397.449 0.824 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@H]1C(=O)[O-] ZINC001598823603 996357519 /nfs/dbraw/zinc/35/75/19/996357519.db2.gz WXOKCMULQIGMAP-RNFRBKRXSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C[C@H]1C(=O)OC ZINC001598823874 996360461 /nfs/dbraw/zinc/36/04/61/996360461.db2.gz DOGQTBPOVCIUOW-TXEJJXNPSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@H]1C(=O)[O-] ZINC001598823977 996361096 /nfs/dbraw/zinc/36/10/96/996361096.db2.gz FHRGXGDNQIZLOD-BDAKNGLRSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC001598824346 996365601 /nfs/dbraw/zinc/36/56/01/996365601.db2.gz GORLIGOUZTWJDV-RYUDHWBXSA-N -1 0 377.426 0.776 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)C[C@@H]1C(=O)[O-] ZINC001598825018 996372535 /nfs/dbraw/zinc/37/25/35/996372535.db2.gz JGPZLYJPNBDQBQ-DTWKUNHWSA-N -1 0 391.373 0.337 20 0 GCADRM COC(=O)[C@@H]1CSCCN1CCOCCN1CCSC[C@H]1C(=O)[O-] ZINC001598825095 996373449 /nfs/dbraw/zinc/37/34/49/996373449.db2.gz KXIOUQBJZCPDDY-STQMWFEESA-N -1 0 378.516 0.095 20 0 GCADRM C[C@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)CC(c2ccccc2)=NO1 ZINC001593748108 996377738 /nfs/dbraw/zinc/37/77/38/996377738.db2.gz DSHSOMGHRYJTDV-WOJBJXKFSA-N -1 0 387.436 0.958 20 0 GCADRM COC(=O)[C@H]1CSCCN1C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001598825674 996379525 /nfs/dbraw/zinc/37/95/25/996379525.db2.gz PNRYKIUKOSUVFD-GHMZBOCLSA-N -1 0 390.458 0.862 20 0 GCADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001598825647 996379734 /nfs/dbraw/zinc/37/97/34/996379734.db2.gz PKMRSWOOYUSQQN-LLVKDONJSA-N -1 0 375.424 0.673 20 0 GCADRM C[C@@]1(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCS1(=O)=O ZINC001593749319 996387204 /nfs/dbraw/zinc/38/72/04/996387204.db2.gz LLAOXULFQYKTOI-BONVTDFDSA-N -1 0 386.451 0.635 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C[C@H]1C(=O)OC ZINC001598826683 996390288 /nfs/dbraw/zinc/39/02/88/996390288.db2.gz OGHOPQXDUVNAJS-AOOOYVTPSA-N -1 0 389.357 0.107 20 0 GCADRM C[C@]1(C(=O)NC[C@@H](O)CC(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001593749702 996390320 /nfs/dbraw/zinc/39/03/20/996390320.db2.gz SSTJBYCAZMOWEW-PMUMKWKESA-N -1 0 380.397 0.100 20 0 GCADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598826764 996390509 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GCADRM COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598830060 996426603 /nfs/dbraw/zinc/42/66/03/996426603.db2.gz WVSZTBYPHVJXDU-CQSZACIVSA-N -1 0 384.454 0.574 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC001593762490 996431354 /nfs/dbraw/zinc/43/13/54/996431354.db2.gz MWWRQSTUJHUIKD-QGZVFWFLSA-N -1 0 380.470 0.501 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC001593762638 996432754 /nfs/dbraw/zinc/43/27/54/996432754.db2.gz PTKUXVUTRFKGSO-DNVCBOLYSA-N -1 0 381.473 0.413 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1 ZINC001593762776 996434122 /nfs/dbraw/zinc/43/41/22/996434122.db2.gz SPUOIWVNFGSHRA-SFHVURJKSA-N -1 0 380.445 0.060 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC001598830832 996434848 /nfs/dbraw/zinc/43/48/48/996434848.db2.gz PHNOHEAQXSOHDA-IKGGRYGDSA-N -1 0 390.436 0.677 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@H]2CCCN2CC(F)(F)F)C1 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597091558 /nfs/dbraw/zinc/09/15/58/597091558.db2.gz JSNZFMLJZXTOFD-UHFFFAOYSA-N -1 0 382.442 0.515 20 0 GCADRM O=C([O-])C[C@H]1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000676213495 597098140 /nfs/dbraw/zinc/09/81/40/597098140.db2.gz AUPBRLRBEMQALA-MRXNPFEDSA-N -1 0 385.420 0.772 20 0 GCADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC000532695017 597102593 /nfs/dbraw/zinc/10/25/93/597102593.db2.gz OYRRERYXPOFBBB-SNVBAGLBSA-N -1 0 391.409 0.425 20 0 GCADRM CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000818469868 597106021 /nfs/dbraw/zinc/10/60/21/597106021.db2.gz DNSAQRNUDSKMIG-ZDUSSCGKSA-N -1 0 384.454 0.626 20 0 GCADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2O1 ZINC000573474161 597111017 /nfs/dbraw/zinc/11/10/17/597111017.db2.gz QTWDXJJSHDDSBV-DOMZBBRYSA-N -1 0 389.408 0.240 20 0 GCADRM NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000819117048 597112933 /nfs/dbraw/zinc/11/29/33/597112933.db2.gz UFHFEFSCBVGZGK-GFCCVEGCSA-N -1 0 377.397 0.593 20 0 GCADRM CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000818369054 597113099 /nfs/dbraw/zinc/11/30/99/597113099.db2.gz SGVJVHLCJVJFEU-CQSZACIVSA-N -1 0 375.425 0.969 20 0 GCADRM CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818645969 597113279 /nfs/dbraw/zinc/11/32/79/597113279.db2.gz ZVRFFSZGALJSRU-LBPRGKRZSA-N -1 0 382.438 0.883 20 0 GCADRM CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)[O-])CC2)cc1 ZINC000263187217 597113296 /nfs/dbraw/zinc/11/32/96/597113296.db2.gz XFIRPHAKYBMOLW-UHFFFAOYSA-N -1 0 382.438 0.881 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1OCC(N)=O ZINC000818593723 597113293 /nfs/dbraw/zinc/11/32/93/597113293.db2.gz KSCFGYRPEJKAHW-LLVKDONJSA-N -1 0 393.396 0.211 20 0 GCADRM CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000570792577 597113972 /nfs/dbraw/zinc/11/39/72/597113972.db2.gz MYVJVNZIBIFREV-ZDUSSCGKSA-N -1 0 391.424 0.805 20 0 GCADRM O=C([O-])Cc1cccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000819567734 597134428 /nfs/dbraw/zinc/13/44/28/597134428.db2.gz JYLVKSJASSRIOS-UHFFFAOYSA-N -1 0 390.440 0.322 20 0 GCADRM CC(C)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000566235921 597138395 /nfs/dbraw/zinc/13/83/95/597138395.db2.gz YBAPIXLVNZGZDW-GXFFZTMASA-N -1 0 385.442 0.068 20 0 GCADRM Cc1nc([C@H]2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)CCO2)n[nH]1 ZINC000818981243 597144677 /nfs/dbraw/zinc/14/46/77/597144677.db2.gz BTKJUWLPQZGQAC-HUUCEWRRSA-N -1 0 384.396 0.733 20 0 GCADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000262873914 597146305 /nfs/dbraw/zinc/14/63/05/597146305.db2.gz JVRCGCQNNUZHBN-UONOGXRCSA-N -1 0 380.422 0.037 20 0 GCADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)[O-])C1 ZINC000370721254 597158910 /nfs/dbraw/zinc/15/89/10/597158910.db2.gz GMAUMDFNVXMRQF-CHWSQXEVSA-N -1 0 385.442 0.768 20 0 GCADRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000578506611 597163055 /nfs/dbraw/zinc/16/30/55/597163055.db2.gz SDSKWADQLVQMKU-ZDUSSCGKSA-N -1 0 384.410 0.217 20 0 GCADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000738519726 597174264 /nfs/dbraw/zinc/17/42/64/597174264.db2.gz DCIQRYQBQGIFBP-UKRRQHHQSA-N -1 0 375.406 0.529 20 0 GCADRM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)C1 ZINC000370720026 597185165 /nfs/dbraw/zinc/18/51/65/597185165.db2.gz IWXQJWBMOZFGMY-CHWSQXEVSA-N -1 0 387.458 0.918 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000262846815 597190807 /nfs/dbraw/zinc/19/08/07/597190807.db2.gz FGALJSUVNDEDNA-OAHLLOKOSA-N -1 0 385.442 0.491 20 0 GCADRM O=C([O-])Cc1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000738624760 597194310 /nfs/dbraw/zinc/19/43/10/597194310.db2.gz SDNVLSNFHWCMRR-UHFFFAOYSA-N -1 0 388.424 0.612 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000818606893 597196982 /nfs/dbraw/zinc/19/69/82/597196982.db2.gz RNCAMONTEGOZRJ-SNVBAGLBSA-N -1 0 387.414 0.311 20 0 GCADRM C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C(=O)[O-] ZINC000818035076 597204836 /nfs/dbraw/zinc/20/48/36/597204836.db2.gz XJXFNTUTEUUNEX-CYBMUJFWSA-N -1 0 377.445 0.491 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)[O-] ZINC000422659945 597218420 /nfs/dbraw/zinc/21/84/20/597218420.db2.gz AOYRJKMKHYBUGP-GFCCVEGCSA-N -1 0 389.405 0.240 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000817926026 597219410 /nfs/dbraw/zinc/21/94/10/597219410.db2.gz DAZCZLVXNKEQPD-MRXNPFEDSA-N -1 0 391.424 0.252 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)C(=O)[O-] ZINC000567865838 597220990 /nfs/dbraw/zinc/22/09/90/597220990.db2.gz GQIRMXNOAZCWCR-GFCCVEGCSA-N -1 0 393.396 0.086 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000569693731 597222605 /nfs/dbraw/zinc/22/26/05/597222605.db2.gz YTNUZPDLXVPXQP-GFCCVEGCSA-N -1 0 383.426 0.453 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000818350392 597229674 /nfs/dbraw/zinc/22/96/74/597229674.db2.gz FJJFVDCQTKWJTF-ZDUSSCGKSA-N -1 0 388.453 0.965 20 0 GCADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000414604957 597230987 /nfs/dbraw/zinc/23/09/87/597230987.db2.gz BXVCKENTXOHWPW-UHFFFAOYSA-N -1 0 376.413 0.263 20 0 GCADRM CC(C)C[C@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000817863335 597234630 /nfs/dbraw/zinc/23/46/30/597234630.db2.gz MERAVWMLWMJKQK-AWEZNQCLSA-N -1 0 377.445 0.521 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])c1C ZINC000422662090 597249681 /nfs/dbraw/zinc/24/96/81/597249681.db2.gz LCDAIDVGFSXQCP-GFCCVEGCSA-N -1 0 385.442 0.457 20 0 GCADRM Cc1c(NC(=O)C(=O)NCc2ccc(C(=O)[O-])cc2)cccc1-n1cnnn1 ZINC000818778469 597258311 /nfs/dbraw/zinc/25/83/11/597258311.db2.gz MBCZDSGAGBPPRD-UHFFFAOYSA-N -1 0 380.364 0.924 20 0 GCADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000738630912 597269260 /nfs/dbraw/zinc/26/92/60/597269260.db2.gz WKPOYPBKBAIXDG-QWHCGFSZSA-N -1 0 380.422 0.288 20 0 GCADRM Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000515152862 597275501 /nfs/dbraw/zinc/27/55/01/597275501.db2.gz PGFSJDKELUKERK-AWEZNQCLSA-N -1 0 390.440 0.878 20 0 GCADRM CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCCC(=O)[O-])CC2)c1 ZINC000818654154 597292783 /nfs/dbraw/zinc/29/27/83/597292783.db2.gz PGZUJIWWNSLSPX-UHFFFAOYSA-N -1 0 383.426 0.032 20 0 GCADRM O=C([O-])CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000263508580 597305330 /nfs/dbraw/zinc/30/53/30/597305330.db2.gz WPDZGCZAJUBZRX-UHFFFAOYSA-N -1 0 389.405 0.833 20 0 GCADRM O=C([O-])CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000263482659 597308113 /nfs/dbraw/zinc/30/81/13/597308113.db2.gz OLDXCNAGKWJRFZ-UHFFFAOYSA-N -1 0 391.396 0.846 20 0 GCADRM O=C([O-])CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000261817994 597311164 /nfs/dbraw/zinc/31/11/64/597311164.db2.gz HRBDWHHTZHHZNE-UHFFFAOYSA-N -1 0 376.456 0.614 20 0 GCADRM CS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818648565 597346245 /nfs/dbraw/zinc/34/62/45/597346245.db2.gz ZQQASDCSQBPCCB-UHFFFAOYSA-N -1 0 390.417 0.972 20 0 GCADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000819585795 597347754 /nfs/dbraw/zinc/34/77/54/597347754.db2.gz ILTLJMXYUBIWNM-UHFFFAOYSA-N -1 0 382.420 0.992 20 0 GCADRM O=C([O-])Cn1cc(COC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)nn1 ZINC000821539203 597360664 /nfs/dbraw/zinc/36/06/64/597360664.db2.gz SOTGQFHVNLGKJI-VIFPVBQESA-N -1 0 380.307 0.737 20 0 GCADRM CCc1c(C(=O)NC(C)(C)CCC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000455802282 597386134 /nfs/dbraw/zinc/38/61/34/597386134.db2.gz AFUXUHLUKRETLE-UHFFFAOYSA-N -1 0 376.413 0.568 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)[O-] ZINC000566224865 597399795 /nfs/dbraw/zinc/39/97/95/597399795.db2.gz HPLDUIWSUGONDQ-VFZGTOFNSA-N -1 0 375.429 0.993 20 0 GCADRM COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000820841564 597408329 /nfs/dbraw/zinc/40/83/29/597408329.db2.gz ZHAJHSMCMKAAKV-NSHDSACASA-N -1 0 390.396 0.785 20 0 GCADRM CN1CCN([C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000737525239 597413140 /nfs/dbraw/zinc/41/31/40/597413140.db2.gz DEXIXCBIYQUKNJ-KBPBESRZSA-N -1 0 382.486 0.532 20 0 GCADRM O=C(CN1CCC(NC(=O)N2CCO[C@H](C(=O)[O-])C2)CC1)Nc1ccccc1 ZINC000738466393 597415196 /nfs/dbraw/zinc/41/51/96/597415196.db2.gz PRXFCXSDAJKANW-INIZCTEOSA-N -1 0 390.440 0.585 20 0 GCADRM O=C(CN1CCC(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1)Nc1ccccc1 ZINC000738466399 597415402 /nfs/dbraw/zinc/41/54/02/597415402.db2.gz PRXFCXSDAJKANW-MRXNPFEDSA-N -1 0 390.440 0.585 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cccc(F)c1I)C(=O)[O-] ZINC000820114844 597420566 /nfs/dbraw/zinc/42/05/66/597420566.db2.gz QYNKEWAVQXXOCB-RXMQYKEDSA-N -1 0 380.113 0.958 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCO1 ZINC000666535091 597430743 /nfs/dbraw/zinc/43/07/43/597430743.db2.gz TVMMVDBVSNSDPC-QGZVFWFLSA-N -1 0 389.452 0.963 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000643443245 597434988 /nfs/dbraw/zinc/43/49/88/597434988.db2.gz FOAWVFLDSGMQGG-INIZCTEOSA-N -1 0 385.376 0.911 20 0 GCADRM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000817803100 597437516 /nfs/dbraw/zinc/43/75/16/597437516.db2.gz KNGLZYZXEXOKKA-CQSZACIVSA-N -1 0 392.408 0.821 20 0 GCADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000821509042 597442396 /nfs/dbraw/zinc/44/23/96/597442396.db2.gz MKWPGGPFHMCBBU-INIZCTEOSA-N -1 0 380.466 0.996 20 0 GCADRM Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000821203135 597442709 /nfs/dbraw/zinc/44/27/09/597442709.db2.gz XKNMKQPIRHNKEN-ZDUSSCGKSA-N -1 0 384.400 0.330 20 0 GCADRM O=C([O-])[C@@H]1CCCCN1C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000372399214 597447593 /nfs/dbraw/zinc/44/75/93/597447593.db2.gz FADTXHKLLKCLTL-DOTOQJQBSA-N -1 0 385.420 0.928 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000573324748 597456130 /nfs/dbraw/zinc/45/61/30/597456130.db2.gz XZPHGNMRCZVOLF-LBPRGKRZSA-N -1 0 384.410 0.202 20 0 GCADRM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659063275 597459909 /nfs/dbraw/zinc/45/99/09/597459909.db2.gz VKIITEHLJKHESJ-GHMZBOCLSA-N -1 0 385.442 0.432 20 0 GCADRM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000820266851 597460292 /nfs/dbraw/zinc/46/02/92/597460292.db2.gz VKIITEHLJKHESJ-QWRGUYRKSA-N -1 0 385.442 0.432 20 0 GCADRM C[C@H](C(=O)[O-])N(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000263258247 597460459 /nfs/dbraw/zinc/46/04/59/597460459.db2.gz FZORJUAMNSMAIC-LLVKDONJSA-N -1 0 379.438 0.779 20 0 GCADRM C[C@H](C(=O)[O-])N(C)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000262119936 597467291 /nfs/dbraw/zinc/46/72/91/597467291.db2.gz JPIZGXZWVDQMIY-CYBMUJFWSA-N -1 0 384.454 0.572 20 0 GCADRM 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0.631 20 0 GCADRM CC(=O)NCCN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@@H](C)C(=O)[O-] ZINC000510306588 597691064 /nfs/dbraw/zinc/69/10/64/597691064.db2.gz JMIMJFFKKQZCCI-LBPRGKRZSA-N -1 0 379.413 0.570 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@H](C)C(=O)[O-] ZINC000262230621 597691374 /nfs/dbraw/zinc/69/13/74/597691374.db2.gz MZNXKEACLLGFRS-SNVBAGLBSA-N -1 0 380.376 0.407 20 0 GCADRM CC(=O)NCCN(C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1)[C@@H](C)C(=O)[O-] ZINC000819744372 597692172 /nfs/dbraw/zinc/69/21/72/597692172.db2.gz JYRPKOCIAPFONQ-GZTOBOFZSA-N -1 0 387.396 0.495 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000262174574 597692404 /nfs/dbraw/zinc/69/24/04/597692404.db2.gz DRGDWPBQPPLVJF-MNOVXSKESA-N -1 0 389.412 0.119 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)[C@@H](C)C(=O)[O-] ZINC000262214625 597693648 /nfs/dbraw/zinc/69/36/48/597693648.db2.gz KMYSFHWDFBDNBL-AAEUAGOBSA-N -1 0 379.388 0.616 20 0 GCADRM 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O=C([O-])CCCCCCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000739666163 599832037 /nfs/dbraw/zinc/83/20/37/599832037.db2.gz CTYDWONQKCMTDR-UHFFFAOYSA-N -1 0 396.444 0.024 20 0 GCADRM NC(=O)C1CCN(c2ncccc2CNC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738443316 599832608 /nfs/dbraw/zinc/83/26/08/599832608.db2.gz KDNQLMOOQDYJCZ-UHFFFAOYSA-N -1 0 390.444 0.289 20 0 GCADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000739149550 599837670 /nfs/dbraw/zinc/83/76/70/599837670.db2.gz SLSRXYBRNYRNEU-HNNXBMFYSA-N -1 0 384.392 0.719 20 0 GCADRM CN(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000737528276 599839979 /nfs/dbraw/zinc/83/99/79/599839979.db2.gz BTHYPQAHWDPNGK-UHFFFAOYSA-N -1 0 398.485 0.951 20 0 GCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000736370857 599841059 /nfs/dbraw/zinc/84/10/59/599841059.db2.gz RMOSXSCUIJDYMZ-OAHLLOKOSA-N -1 0 399.469 0.616 20 0 GCADRM CCOCCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000262412176 599842668 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Cn1c(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])nc2n(C)c1=O ZINC000428054780 599857528 /nfs/dbraw/zinc/85/75/28/599857528.db2.gz OWKDAAOBJFIDLX-CQSZACIVSA-N -1 0 382.376 0.058 20 0 GCADRM CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])S(=O)(=O)c1cccnc1 ZINC000428071804 599857702 /nfs/dbraw/zinc/85/77/02/599857702.db2.gz SOFZYTGLOWKWES-HNNXBMFYSA-N -1 0 377.422 0.514 20 0 GCADRM O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000739632960 599869039 /nfs/dbraw/zinc/86/90/39/599869039.db2.gz CCTQPCZQYYQVMO-ZIAGYGMSSA-N -1 0 375.381 0.372 20 0 GCADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000736366764 599872313 /nfs/dbraw/zinc/87/23/13/599872313.db2.gz FIHUBZYWJYRMRR-MLGOLLRUSA-N -1 0 379.413 0.719 20 0 GCADRM CCN(C(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000737051282 599875206 /nfs/dbraw/zinc/87/52/06/599875206.db2.gz PZPCNNKFQMOJRD-VXGBXAGGSA-N -1 0 378.447 0.344 20 0 GCADRM CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000737539347 599875486 /nfs/dbraw/zinc/87/54/86/599875486.db2.gz DBFOSMSTKDNVHT-UHFFFAOYSA-N -1 0 385.623 0.825 20 0 GCADRM CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736196511 599875667 /nfs/dbraw/zinc/87/56/67/599875667.db2.gz PHQUVWZRXMOXIF-CQSZACIVSA-N -1 0 397.453 0.816 20 0 GCADRM CN(CCCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1)S(C)(=O)=O ZINC000737438661 599878019 /nfs/dbraw/zinc/87/80/19/599878019.db2.gz YTYNNESCPJSOKA-UHFFFAOYSA-N -1 0 385.442 0.040 20 0 GCADRM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCCN2CCOC2=O)c1 ZINC000737654090 599878490 /nfs/dbraw/zinc/87/84/90/599878490.db2.gz LKHDYHPCQPLTTP-UHFFFAOYSA-N -1 0 386.382 0.292 20 0 GCADRM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000737632137 599881042 /nfs/dbraw/zinc/88/10/42/599881042.db2.gz GEBVBIRTLZHKIO-CQSZACIVSA-N -1 0 377.397 0.989 20 0 GCADRM CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736737266 599881483 /nfs/dbraw/zinc/88/14/83/599881483.db2.gz LSMIIMDTWBJWDO-UHFFFAOYSA-N -1 0 377.441 0.869 20 0 GCADRM C[C@@H](OC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)[O-] ZINC000736685919 599882528 /nfs/dbraw/zinc/88/25/28/599882528.db2.gz FFNDDCRYEASXCY-SECBINFHSA-N -1 0 377.802 0.636 20 0 GCADRM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736686561 599882570 /nfs/dbraw/zinc/88/25/70/599882570.db2.gz TVPMSYQPFOTNLF-SNVBAGLBSA-N -1 0 383.378 0.994 20 0 GCADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000736415070 599884941 /nfs/dbraw/zinc/88/49/41/599884941.db2.gz LMGHGFCMIVXQPE-NWDGAFQWSA-N -1 0 397.428 0.398 20 0 GCADRM CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000736881464 599885072 /nfs/dbraw/zinc/88/50/72/599885072.db2.gz DGMSPKHZULXXRA-DMDPSCGWSA-N -1 0 397.428 0.398 20 0 GCADRM COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C1 ZINC000737634729 599889741 /nfs/dbraw/zinc/88/97/41/599889741.db2.gz VHHJDVDLYJDBIK-CYBMUJFWSA-N -1 0 378.385 0.853 20 0 GCADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000738472757 599890493 /nfs/dbraw/zinc/89/04/93/599890493.db2.gz BDAVTHUCTDSCPY-UHFFFAOYSA-N -1 0 393.440 0.624 20 0 GCADRM CCN(CC)S(=O)(=O)c1cc(C(=O)NCCSCC(=O)[O-])n(C)c1 ZINC000389462532 599891259 /nfs/dbraw/zinc/89/12/59/599891259.db2.gz HEGPZWZMZVBESV-UHFFFAOYSA-N -1 0 377.488 0.603 20 0 GCADRM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCSCC(=O)[O-])CC1 ZINC000736206748 599899758 /nfs/dbraw/zinc/89/97/58/599899758.db2.gz DTHHQPJYACMHMA-ZDUSSCGKSA-N -1 0 386.518 0.579 20 0 GCADRM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1=O ZINC000736737969 599900193 /nfs/dbraw/zinc/90/01/93/599900193.db2.gz OASBMUDKVDIFSS-GOSISDBHSA-N -1 0 375.381 0.600 20 0 GCADRM Cn1ncc2c1nc(CCC(=O)NCCOc1ccc(C(=O)[O-])cc1)[nH]c2=O ZINC000739058629 599900480 /nfs/dbraw/zinc/90/04/80/599900480.db2.gz GVBISGHQUNPVDY-UHFFFAOYSA-N -1 0 385.380 0.895 20 0 GCADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000477434348 599906626 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DAVWBNVBUIAOND-AWEZNQCLSA-N -1 0 392.389 0.697 20 0 GCADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000471403792 1184777538 /nfs/dbraw/zinc/77/75/38/1184777538.db2.gz PQUAQZNNPBCVKV-ITDIGPHOSA-N -1 0 381.454 0.369 20 0 GCADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@@H]1O ZINC000970391848 1184793676 /nfs/dbraw/zinc/79/36/76/1184793676.db2.gz IMMDSXBJMTYILJ-MIGQKNRLSA-N -1 0 376.457 0.466 20 0 GCADRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cnccc1N1CCN(C)CC1 ZINC000547954942 1184803690 /nfs/dbraw/zinc/80/36/90/1184803690.db2.gz MAGXFHMKCBCGEQ-UHFFFAOYSA-N -1 0 397.482 0.877 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc(CNC(=O)NC(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC000510294688 1184808855 /nfs/dbraw/zinc/80/88/55/1184808855.db2.gz JAGUKSKDNCSBCF-ZDUSSCGKSA-N -1 0 392.456 0.946 20 0 GCADRM CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1 ZINC000683619362 1184819738 /nfs/dbraw/zinc/81/97/38/1184819738.db2.gz DHNIRZXQLJEKEX-HZPDHXFCSA-N -1 0 395.481 0.880 20 0 GCADRM Cc1noc2ncc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc3ccccc3)cc12 ZINC000683621359 1184823418 /nfs/dbraw/zinc/82/34/18/1184823418.db2.gz VRHVEPLMBBMFBF-HUUCEWRRSA-N -1 0 391.405 0.866 20 0 GCADRM COC(=O)C1(c2ccc(S(=O)(=O)NC[C@@](C)(CO)CC(=O)[O-])cc2)CC1 ZINC000275636229 1184845483 /nfs/dbraw/zinc/84/54/83/1184845483.db2.gz MQHBGQVOABISML-INIZCTEOSA-N -1 0 385.438 0.643 20 0 GCADRM Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC000655889673 1184848062 /nfs/dbraw/zinc/84/80/62/1184848062.db2.gz XWXFOJHKDFKDON-JTQLQIEISA-N -1 0 388.446 0.418 20 0 GCADRM CC(C)[C@@H](CNC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000655892872 1184849066 /nfs/dbraw/zinc/84/90/66/1184849066.db2.gz ZAUBMGUCNSPTGO-DZGCQCFKSA-N -1 0 393.440 0.967 20 0 GCADRM O=C([O-])CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCC1 ZINC000655936016 1184881299 /nfs/dbraw/zinc/88/12/99/1184881299.db2.gz YIRPPWHVCNFNCM-UHFFFAOYSA-N -1 0 395.481 0.459 20 0 GCADRM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655940149 1184882117 /nfs/dbraw/zinc/88/21/17/1184882117.db2.gz PVKUWFBBZOPUSY-RYUDHWBXSA-N -1 0 399.469 0.680 20 0 GCADRM CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655940146 1184882560 /nfs/dbraw/zinc/88/25/60/1184882560.db2.gz PVKUWFBBZOPUSY-NEPJUHHUSA-N -1 0 399.469 0.680 20 0 GCADRM COCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc21 ZINC000655941558 1184883040 /nfs/dbraw/zinc/88/30/40/1184883040.db2.gz WWYRBBXBZMNWTJ-LLVKDONJSA-N -1 0 377.397 0.388 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)[O-] ZINC000655943702 1184883931 /nfs/dbraw/zinc/88/39/31/1184883931.db2.gz JUEAXXKTGGDFQT-CYBMUJFWSA-N -1 0 390.396 0.150 20 0 GCADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000655943986 1184885232 /nfs/dbraw/zinc/88/52/32/1184885232.db2.gz RCNWIJWMSCGNAM-AWEZNQCLSA-N -1 0 379.413 0.613 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000655944670 1184885325 /nfs/dbraw/zinc/88/53/25/1184885325.db2.gz MJDGXSNFIMPPHC-VIFPVBQESA-N -1 0 392.380 0.780 20 0 GCADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655944990 1184887095 /nfs/dbraw/zinc/88/70/95/1184887095.db2.gz BVPNIGKQNDWIET-ZDUSSCGKSA-N -1 0 385.442 0.860 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000655945628 1184887244 /nfs/dbraw/zinc/88/72/44/1184887244.db2.gz WPGNFDMRYYTVDB-AWEZNQCLSA-N -1 0 393.444 0.353 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000655945306 1184887292 /nfs/dbraw/zinc/88/72/92/1184887292.db2.gz PTFHDZILCXRELL-GFCCVEGCSA-N -1 0 388.417 0.782 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000655945308 1184887324 /nfs/dbraw/zinc/88/73/24/1184887324.db2.gz PTFHDZILCXRELL-LBPRGKRZSA-N -1 0 388.417 0.782 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000655945632 1184887454 /nfs/dbraw/zinc/88/74/54/1184887454.db2.gz WPGNFDMRYYTVDB-CQSZACIVSA-N -1 0 393.444 0.353 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C(=O)[O-] ZINC000655945546 1184887942 /nfs/dbraw/zinc/88/79/42/1184887942.db2.gz SCNBVCALEZZFHM-GFCCVEGCSA-N -1 0 388.417 0.782 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)C(=O)[O-] ZINC000655946576 1184889308 /nfs/dbraw/zinc/88/93/08/1184889308.db2.gz GHDXCBSEPNTNII-CYBMUJFWSA-N -1 0 376.413 0.623 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000655946163 1184889665 /nfs/dbraw/zinc/88/96/65/1184889665.db2.gz COHSTNVTJCLVBQ-JSGCOSHPSA-N -1 0 389.408 0.303 20 0 GCADRM CNC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000655948019 1184891694 /nfs/dbraw/zinc/89/16/94/1184891694.db2.gz VBXYHGWMUYHDFB-CYBMUJFWSA-N -1 0 379.413 0.531 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C(=O)[O-] ZINC000655978910 1184913112 /nfs/dbraw/zinc/91/31/12/1184913112.db2.gz WVTJSAKRYNRFPU-CQSZACIVSA-N -1 0 379.413 0.473 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1)C(=O)[O-] ZINC000655977055 1184913512 /nfs/dbraw/zinc/91/35/12/1184913512.db2.gz BDHDVYIFVXRTJS-SECBINFHSA-N -1 0 391.350 0.497 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1)C(=O)[O-] ZINC000655977393 1184913603 /nfs/dbraw/zinc/91/36/03/1184913603.db2.gz HCISMRIIJFRKSO-ZIAGYGMSSA-N -1 0 397.497 0.711 20 0 GCADRM COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)n1 ZINC000610316300 1184914277 /nfs/dbraw/zinc/91/42/77/1184914277.db2.gz SRDDHDQTYSMJIH-UHFFFAOYSA-N -1 0 377.382 0.809 20 0 GCADRM C[C@@H](CNC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000655979550 1184916010 /nfs/dbraw/zinc/91/60/10/1184916010.db2.gz HRNAQHDKMVYXDR-GJZGRUSLSA-N -1 0 376.457 0.150 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CCOCC1)C(=O)[O-] ZINC000655979536 1184916055 /nfs/dbraw/zinc/91/60/55/1184916055.db2.gz 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C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)C(=O)[O-] ZINC000655988675 1184923527 /nfs/dbraw/zinc/92/35/27/1184923527.db2.gz VJARDSISIAYJPL-MNOVXSKESA-N -1 0 385.367 0.820 20 0 GCADRM COc1ccc2c(c1)nc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n2C ZINC000655988775 1184923532 /nfs/dbraw/zinc/92/35/32/1184923532.db2.gz UHPSWJWPEDHAOW-GFCCVEGCSA-N -1 0 376.413 0.671 20 0 GCADRM CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655992373 1184923603 /nfs/dbraw/zinc/92/36/03/1184923603.db2.gz AQADRZFQEQRJLG-AWEZNQCLSA-N -1 0 399.469 0.074 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)C(=O)[O-] ZINC000655988677 1184923639 /nfs/dbraw/zinc/92/36/39/1184923639.db2.gz VJARDSISIAYJPL-QWRGUYRKSA-N -1 0 385.367 0.820 20 0 GCADRM C[C@@H](CNC(=O)C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)C(=O)[O-] ZINC000655993855 1184924467 /nfs/dbraw/zinc/92/44/67/1184924467.db2.gz KGBZUSXQVNAVGR-JTQLQIEISA-N -1 0 378.360 0.761 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)C(=O)[O-] ZINC000655994216 1184924963 /nfs/dbraw/zinc/92/49/63/1184924963.db2.gz OKIFTFPJBYYRKP-DTWKUNHWSA-N -1 0 385.779 0.538 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C(=O)[O-] ZINC000655995138 1184926040 /nfs/dbraw/zinc/92/60/40/1184926040.db2.gz AECVIZCEKDQUCS-DZGCQCFKSA-N -1 0 375.425 0.173 20 0 GCADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)s[n-]1 ZINC000548005466 1184927156 /nfs/dbraw/zinc/92/71/56/1184927156.db2.gz GUAPONMPBWOUAN-GFCCVEGCSA-N -1 0 381.502 0.519 20 0 GCADRM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)s[n-]1 ZINC000548005467 1184927573 /nfs/dbraw/zinc/92/75/73/1184927573.db2.gz GUAPONMPBWOUAN-LBPRGKRZSA-N -1 0 381.502 0.519 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC000655997821 1184928326 /nfs/dbraw/zinc/92/83/26/1184928326.db2.gz PUAWMHFSSQWSLW-UONOGXRCSA-N -1 0 379.388 0.520 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC000655999540 1184928939 /nfs/dbraw/zinc/92/89/39/1184928939.db2.gz HGGGTQVAFLVBKP-VHSXEESVSA-N -1 0 376.335 0.902 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C(=O)[O-] ZINC000655999538 1184929073 /nfs/dbraw/zinc/92/90/73/1184929073.db2.gz HGGGTQVAFLVBKP-NXEZZACHSA-N -1 0 376.335 0.902 20 0 GCADRM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4cncn4C)C[C@H]32)c1[O-] ZINC001021401593 1184929118 /nfs/dbraw/zinc/92/91/18/1184929118.db2.gz PDEJCNXQKVJPIL-KYEXWDHISA-N -1 0 384.440 0.634 20 0 GCADRM C[C@H](CNC(=O)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)C(=O)[O-] ZINC000656003830 1184931423 /nfs/dbraw/zinc/93/14/23/1184931423.db2.gz XXBUYUPZVXLLKY-GFCCVEGCSA-N -1 0 387.436 0.907 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC000656002954 1184931528 /nfs/dbraw/zinc/93/15/28/1184931528.db2.gz NUPITHWQZYXGOR-GXFFZTMASA-N -1 0 381.816 0.741 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000656005544 1184932994 /nfs/dbraw/zinc/93/29/94/1184932994.db2.gz IYBKOXLVHWBTCD-GFCCVEGCSA-N -1 0 393.415 0.517 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)C(=O)[O-] ZINC000656004530 1184933102 /nfs/dbraw/zinc/93/31/02/1184933102.db2.gz HJKRLBKLUVIBMJ-LLVKDONJSA-N -1 0 381.816 0.348 20 0 GCADRM COc1ccc(CN2CCN(C(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)cc1F ZINC000656005648 1184933394 /nfs/dbraw/zinc/93/33/94/1184933394.db2.gz SPUICMXBQBVLQW-LBPRGKRZSA-N -1 0 381.404 0.315 20 0 GCADRM COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656007897 1184934481 /nfs/dbraw/zinc/93/44/81/1184934481.db2.gz OHJGJFAPJLYWPR-AWEZNQCLSA-N -1 0 382.461 0.485 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1)C(=O)[O-] ZINC000656007592 1184934528 /nfs/dbraw/zinc/93/45/28/1184934528.db2.gz IZOARGVJNLKOHI-WQAKAFBOSA-N -1 0 398.362 0.788 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)C(=O)[O-] ZINC000656005281 1184935668 /nfs/dbraw/zinc/93/56/68/1184935668.db2.gz XLUKFDDDJCGJIA-GXTWGEPZSA-N -1 0 397.453 0.256 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000656008154 1184936470 /nfs/dbraw/zinc/93/64/70/1184936470.db2.gz QYHSRNKZJSZURQ-GFCCVEGCSA-N -1 0 379.388 0.337 20 0 GCADRM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000047477829 1184939408 /nfs/dbraw/zinc/93/94/08/1184939408.db2.gz RSOWOGMYOICAAH-UHFFFAOYSA-N -1 0 383.364 0.651 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C(=O)[O-] ZINC000656011565 1184946509 /nfs/dbraw/zinc/94/65/09/1184946509.db2.gz MUPGFZIMGLUCFB-OAHLLOKOSA-N -1 0 393.415 0.583 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000656011419 1184947142 /nfs/dbraw/zinc/94/71/42/1184947142.db2.gz JXMGDOPWFIFFEQ-CQSZACIVSA-N -1 0 389.408 0.214 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000656011418 1184947470 /nfs/dbraw/zinc/94/74/70/1184947470.db2.gz JXMGDOPWFIFFEQ-AWEZNQCLSA-N -1 0 389.408 0.214 20 0 GCADRM COc1cccc(N2CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2)c1 ZINC000656011459 1184947505 /nfs/dbraw/zinc/94/75/05/1184947505.db2.gz LASXRFOEAPYQQY-INIZCTEOSA-N -1 0 377.441 0.817 20 0 GCADRM COc1cc(N2CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2)ccc1F ZINC000656013837 1184948974 /nfs/dbraw/zinc/94/89/74/1184948974.db2.gz QEOCXXSCMHCIOX-AWEZNQCLSA-N -1 0 395.431 0.956 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(=O)[O-] ZINC000656012801 1184949040 /nfs/dbraw/zinc/94/90/40/1184949040.db2.gz IKYOKQDRNNNODH-UONOGXRCSA-N -1 0 383.489 0.860 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000656013292 1184949686 /nfs/dbraw/zinc/94/96/86/1184949686.db2.gz MSXIUBQNQVGGDB-DOMZBBRYSA-N -1 0 393.415 0.862 20 0 GCADRM 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CCO[C@@H]1C[C@@](NS(=O)(=O)c2cccc(-n3cnnn3)c2)(C(=O)[O-])C1(C)C ZINC000275754371 1185025798 /nfs/dbraw/zinc/02/57/98/1185025798.db2.gz QZLAHCRVNYGODG-CZUORRHYSA-N -1 0 395.441 0.599 20 0 GCADRM Cc1cnc(OC2CCN(C(=O)C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)CC2)nc1 ZINC000656103144 1185029942 /nfs/dbraw/zinc/02/99/42/1185029942.db2.gz WGWJMLFTMMZNMP-OCCSQVGLSA-N -1 0 390.440 0.724 20 0 GCADRM C[C@@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3n[n-]c4ccccc4c3=O)[C@@H](O)C2)O1 ZINC000970806799 1185034130 /nfs/dbraw/zinc/03/41/30/1185034130.db2.gz LIAQNIPWIDHEIP-QPKOPYBWSA-N -1 0 386.408 0.204 20 0 GCADRM C[NH+](C)C1(CNS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)CCC1 ZINC000275767999 1185038557 /nfs/dbraw/zinc/03/85/57/1185038557.db2.gz YPCLPEMZZSYRCK-CYBMUJFWSA-N -1 0 395.481 0.887 20 0 GCADRM CCCc1nc(=NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)s[n-]1 ZINC000466901956 1185048641 /nfs/dbraw/zinc/04/86/41/1185048641.db2.gz BZPXQBSBKPQALO-UHFFFAOYSA-N -1 0 398.456 0.729 20 0 GCADRM 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YQBGMVZEZUEENY-VIFPVBQESA-N -1 0 377.319 0.775 20 0 GCADRM COc1ccccc1N1CC[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC000420550908 1194238631 /nfs/dbraw/zinc/23/86/31/1194238631.db2.gz QTYDVUSIZZOGPP-ZIAGYGMSSA-N -1 0 377.441 0.817 20 0 GCADRM CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]3CCC[C@@]3(C(=O)[O-])C1)CC2 ZINC000420552550 1194239084 /nfs/dbraw/zinc/23/90/84/1194239084.db2.gz HBWQYHKAUFBLBN-XEKQOVJPSA-N -1 0 389.456 0.546 20 0 GCADRM CC[C@H](NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(S(N)(=O)=O)c1 ZINC000420552154 1194239342 /nfs/dbraw/zinc/23/93/42/1194239342.db2.gz SEGIANRCCYMGHB-GUYCJALGSA-N -1 0 397.453 0.225 20 0 GCADRM Cc1ccc(CNC(=O)C2CCN(C(=O)C(=O)NCCCC(=O)[O-])CC2)cc1 ZINC000420555722 1194239558 /nfs/dbraw/zinc/23/95/58/1194239558.db2.gz AKYHOUTYELPNDH-UHFFFAOYSA-N -1 0 389.452 0.831 20 0 GCADRM CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1C[C@@H]3CCC[C@@]3(C(=O)[O-])C1)CC2 ZINC000420554721 1194239661 /nfs/dbraw/zinc/23/96/61/1194239661.db2.gz UZBABIPLPHGMIR-XEKQOVJPSA-N -1 0 389.456 0.546 20 0 GCADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC000420554970 1194239735 /nfs/dbraw/zinc/23/97/35/1194239735.db2.gz IIWTVTRXXSYBCS-GXFFZTMASA-N -1 0 381.816 0.741 20 0 GCADRM CN(CCCC(=O)[O-])C(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420555739 1194239831 /nfs/dbraw/zinc/23/98/31/1194239831.db2.gz IPZABMQFGCWYIK-GFCCVEGCSA-N -1 0 383.351 0.510 20 0 GCADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])C1=O ZINC000420557321 1194240109 /nfs/dbraw/zinc/24/01/09/1194240109.db2.gz JTJWQXKSPODZDO-NEPJUHHUSA-N -1 0 377.397 0.096 20 0 GCADRM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000420556484 1194240169 /nfs/dbraw/zinc/24/01/69/1194240169.db2.gz JTRPSGUMBZXUAF-VXGBXAGGSA-N -1 0 393.827 0.885 20 0 GCADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000420557882 1194240173 /nfs/dbraw/zinc/24/01/73/1194240173.db2.gz KOAHHCAWVDCHKZ-MLCYQJTMSA-N -1 0 395.362 0.510 20 0 GCADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)[O-] ZINC000420556721 1194240245 /nfs/dbraw/zinc/24/02/45/1194240245.db2.gz JIRDRUDYLNIEHZ-NXEZZACHSA-N -1 0 383.351 0.365 20 0 GCADRM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N(C)CCC(=O)[O-])ccc2NC1=O ZINC000420558225 1194240533 /nfs/dbraw/zinc/24/05/33/1194240533.db2.gz DALKFWKBVCAGLP-MFKMUULPSA-N -1 0 377.397 0.906 20 0 GCADRM CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000420558678 1194240676 /nfs/dbraw/zinc/24/06/76/1194240676.db2.gz LLUSUFKFSQEKLJ-UHFFFAOYSA-N -1 0 384.454 0.465 20 0 GCADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000420558130 1194240812 /nfs/dbraw/zinc/24/08/12/1194240812.db2.gz LCKXLFPQDUAUAM-WDEREUQCSA-N -1 0 381.816 0.741 20 0 GCADRM COC(=O)c1cccc(CCNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000420560358 1194241018 /nfs/dbraw/zinc/24/10/18/1194241018.db2.gz MHFSWBXPEAQZLD-MGPUTAFESA-N -1 0 388.420 0.845 20 0 GCADRM 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Cc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c(O[C@H]2CCOC2)c1 ZINC000420562208 1194241765 /nfs/dbraw/zinc/24/17/65/1194241765.db2.gz NQNUADGXEGEZAS-ZFWWWQNUSA-N -1 0 378.425 0.958 20 0 GCADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)C(=O)[O-] ZINC000420564371 1194241875 /nfs/dbraw/zinc/24/18/75/1194241875.db2.gz HYEMFSAOMQAWLE-GOEBONIOSA-N -1 0 389.452 0.515 20 0 GCADRM Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000420563330 1194241921 /nfs/dbraw/zinc/24/19/21/1194241921.db2.gz QFLAJFKDBBHSQB-QWHCGFSZSA-N -1 0 384.454 0.453 20 0 GCADRM CN(C(=O)CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)C1CCCCC1 ZINC000420564993 1194242110 /nfs/dbraw/zinc/24/21/10/1194242110.db2.gz RSUIOVVTTOSKFB-ORAYPTAESA-N -1 0 379.457 0.607 20 0 GCADRM C[C@H](CN(C)C(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)C(=O)[O-] ZINC000420564374 1194242167 /nfs/dbraw/zinc/24/21/67/1194242167.db2.gz HYEMFSAOMQAWLE-ZBFHGGJFSA-N -1 0 389.452 0.515 20 0 GCADRM C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)[O-] ZINC000420564627 1194242185 /nfs/dbraw/zinc/24/21/85/1194242185.db2.gz PWMKTJAOAAUGOW-NOZJJQNGSA-N -1 0 399.806 0.880 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000420565138 1194242362 /nfs/dbraw/zinc/24/23/62/1194242362.db2.gz QHTDRDIPAUZLHO-XIKOKIGWSA-N -1 0 395.362 0.510 20 0 GCADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000420565795 1194242376 /nfs/dbraw/zinc/24/23/76/1194242376.db2.gz RFVPVKFRTVOHGY-JTQLQIEISA-N -1 0 389.330 0.871 20 0 GCADRM O=C([O-])CCCCCNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000420584435 1194243407 /nfs/dbraw/zinc/24/34/07/1194243407.db2.gz ZLAAMOHSAZTVLY-UHFFFAOYSA-N -1 0 379.388 0.762 20 0 GCADRM C[C@@H]1[C@@H](NC(=O)C(=O)N(C)CCCC(=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000420585435 1194243441 /nfs/dbraw/zinc/24/34/41/1194243441.db2.gz PRGJRXKTWFPCQU-HIFRSBDPSA-N -1 0 375.425 0.615 20 0 GCADRM COC[C@H](C)N(C)C(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000420585334 1194243451 /nfs/dbraw/zinc/24/34/51/1194243451.db2.gz BKOVWCKWDMNAEP-AEGPPILISA-N -1 0 391.424 0.023 20 0 GCADRM CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])[C@@H]1Oc1ccccc1 ZINC000420586993 1194243613 /nfs/dbraw/zinc/24/36/13/1194243613.db2.gz RDANVNCLVUMPDC-HNKHHVNMSA-N -1 0 378.425 0.907 20 0 GCADRM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000420572235 1194244733 /nfs/dbraw/zinc/24/47/33/1194244733.db2.gz YKHHSGMWDRMGOJ-RBSFLKMASA-N -1 0 381.473 0.853 20 0 GCADRM O=C([O-])CCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000420573223 1194245129 /nfs/dbraw/zinc/24/51/29/1194245129.db2.gz PEWJZSVTMRBVLJ-CQSZACIVSA-N -1 0 397.378 0.553 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C[C@H]1C(=O)[O-] ZINC000420575123 1194245162 /nfs/dbraw/zinc/24/51/62/1194245162.db2.gz XHGOYEIWNCDYEX-VHDGCEQUSA-N -1 0 379.457 0.463 20 0 GCADRM 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COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC000422664515 1194684661 /nfs/dbraw/zinc/68/46/61/1194684661.db2.gz WIWBFOQUEOAIEB-OAHLLOKOSA-N -1 0 388.424 1.494 20 0 GCADRM Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])nn1-c1ccc(F)cc1F ZINC000422665189 1194684980 /nfs/dbraw/zinc/68/49/80/1194684980.db2.gz VOVCTJONLRDLIQ-CYBMUJFWSA-N -1 0 378.335 1.473 20 0 GCADRM CCOc1cc(F)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422667945 1194684986 /nfs/dbraw/zinc/68/49/86/1194684986.db2.gz BGSZYONGPUPBRL-SNVBAGLBSA-N -1 0 383.376 0.601 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000422666462 1194685012 /nfs/dbraw/zinc/68/50/12/1194685012.db2.gz IVELLJMESUESLG-FZMZJTMJSA-N -1 0 397.453 0.781 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)C(=O)[O-] ZINC000422666216 1194685073 /nfs/dbraw/zinc/68/50/73/1194685073.db2.gz GCQFUGPIADCZJR-ZBEGNZNMSA-N -1 0 391.424 0.776 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[C@@H](C)C(=O)[O-] ZINC000422668651 1194685449 /nfs/dbraw/zinc/68/54/49/1194685449.db2.gz FGWZICVJJAVUMB-NSHDSACASA-N -1 0 395.460 0.385 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1C ZINC000422669036 1194685498 /nfs/dbraw/zinc/68/54/98/1194685498.db2.gz GPWTZTXXVORHQD-NSHDSACASA-N -1 0 393.396 0.158 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)C(=O)[O-] ZINC000422668974 1194685501 /nfs/dbraw/zinc/68/55/01/1194685501.db2.gz GCNWKAIDLWCXCC-ZDUSSCGKSA-N -1 0 375.385 0.269 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OCC(C)C)nc1)[C@@H](C)C(=O)[O-] ZINC000422670735 1194685718 /nfs/dbraw/zinc/68/57/18/1194685718.db2.gz LAHAAVZZQGQYGM-LBPRGKRZSA-N -1 0 394.428 0.493 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C(=O)C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC000422670651 1194685764 /nfs/dbraw/zinc/68/57/64/1194685764.db2.gz KWSHWBGVZCEORU-LBPRGKRZSA-N -1 0 391.424 0.902 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OCCF)[C@H](C)C(=O)[O-] ZINC000422671892 1194685791 /nfs/dbraw/zinc/68/57/91/1194685791.db2.gz OTCIMHHPJLKOLB-LLVKDONJSA-N -1 0 383.376 0.411 20 0 GCADRM CCOc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1C ZINC000422670831 1194685900 /nfs/dbraw/zinc/68/59/00/1194685900.db2.gz LGLPAJNQKFBUHE-LBPRGKRZSA-N -1 0 379.413 0.770 20 0 GCADRM CCOc1ccc(OC)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422671335 1194686317 /nfs/dbraw/zinc/68/63/17/1194686317.db2.gz NABWXVJNKVUGKT-NSHDSACASA-N -1 0 395.412 0.470 20 0 GCADRM CCOC(=O)c1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000422673031 1194686323 /nfs/dbraw/zinc/68/63/23/1194686323.db2.gz RWKVILNCBVNNJX-LLVKDONJSA-N -1 0 393.396 0.240 20 0 GCADRM COC(=O)c1c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])sc2c1CCCC2 ZINC000422675066 1194686621 /nfs/dbraw/zinc/68/66/21/1194686621.db2.gz BHOARSBNSQJDSZ-INIZCTEOSA-N -1 0 384.410 0.304 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1CCCC2)[C@@H](C)C(=O)[O-] ZINC000422673372 1194686673 /nfs/dbraw/zinc/68/66/73/1194686673.db2.gz SZTJWCUMWGVDSL-LBPRGKRZSA-N -1 0 375.425 0.942 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc(C(C)(C)C)cs1)[C@H](C)C(=O)[O-] ZINC000422674852 1194686729 /nfs/dbraw/zinc/68/67/29/1194686729.db2.gz XHJMEXJEQCJNBP-SECBINFHSA-N -1 0 384.458 0.817 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000422675894 1194686987 /nfs/dbraw/zinc/68/69/87/1194686987.db2.gz CIXROXINIBVLPP-CMPLNLGQSA-N -1 0 382.804 0.500 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C)c1 ZINC000422675928 1194687080 /nfs/dbraw/zinc/68/70/80/1194687080.db2.gz CNCXHDHFSDGCNO-LSDHHAIUSA-N -1 0 391.424 0.768 20 0 GCADRM CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422675491 1194687083 /nfs/dbraw/zinc/68/70/83/1194687083.db2.gz BUJBDSQNLFLOPB-HUUCEWRRSA-N -1 0 391.424 0.850 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2)[C@@H](C)C(=O)[O-] ZINC000422674692 1194687131 /nfs/dbraw/zinc/68/71/31/1194687131.db2.gz WXZKUIAYWFPOSX-ZJUUUORDSA-N -1 0 396.469 0.644 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2)[C@@H](C)C(=O)[O-] ZINC000422674690 1194687140 /nfs/dbraw/zinc/68/71/40/1194687140.db2.gz WXZKUIAYWFPOSX-UWVGGRQHSA-N -1 0 396.469 0.644 20 0 GCADRM CCCOc1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000422675680 1194687231 /nfs/dbraw/zinc/68/72/31/1194687231.db2.gz ZBDQPYZGYDQFPP-LBPRGKRZSA-N -1 0 379.413 0.852 20 0 GCADRM CCCc1c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])cnn1-c1cccc(F)c1 ZINC000422676701 1194687450 /nfs/dbraw/zinc/68/74/50/1194687450.db2.gz FAVLDBRFWRCNKI-SFHVURJKSA-N -1 0 392.387 0.854 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000422676845 1194687496 /nfs/dbraw/zinc/68/74/96/1194687496.db2.gz FYLIHJTYTPTMKC-QWHCGFSZSA-N -1 0 383.351 0.730 20 0 GCADRM CCc1nc(C)c(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000422677863 1194687928 /nfs/dbraw/zinc/68/79/28/1194687928.db2.gz LCYZWTSKHNCOJW-JQWIXIFHSA-N -1 0 396.469 0.779 20 0 GCADRM Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422676295 1194688061 /nfs/dbraw/zinc/68/80/61/1194688061.db2.gz DAWQGGZGGNSDPC-JSGCOSHPSA-N -1 0 379.388 0.899 20 0 GCADRM C[C@@](O)(CNC(=O)C(=O)Nc1cc(CC2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000422677422 1194688113 /nfs/dbraw/zinc/68/81/13/1194688113.db2.gz IRWRFWCCTZMTNO-LJQANCHMSA-N -1 0 386.408 0.715 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C3CC3)n2)C1=O ZINC000422678654 1194688347 /nfs/dbraw/zinc/68/83/47/1194688347.db2.gz ORZGONZFMBXRRS-UKRRQHHQSA-N -1 0 388.424 0.724 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(F)c1 ZINC000422678544 1194688363 /nfs/dbraw/zinc/68/83/63/1194688363.db2.gz OJQNWEHNDFPZKY-KBPBESRZSA-N -1 0 379.388 0.899 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1=O ZINC000422678807 1194688368 /nfs/dbraw/zinc/68/83/68/1194688368.db2.gz PQANNSSNQUVVSB-ZIAGYGMSSA-N -1 0 387.396 0.328 20 0 GCADRM CCCc1cc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n(C)n1 ZINC000422678537 1194688397 /nfs/dbraw/zinc/68/83/97/1194688397.db2.gz OIWBMWAWSSRTPO-TZMCWYRMSA-N -1 0 393.444 0.137 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C)n1 ZINC000422679731 1194688759 /nfs/dbraw/zinc/68/87/59/1194688759.db2.gz WDPYGVZXWPOLKU-OCCSQVGLSA-N -1 0 392.412 0.163 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCO3)C1=O ZINC000422679161 1194688768 /nfs/dbraw/zinc/68/87/68/1194688768.db2.gz RYLNGYQSUVGSOP-HIFRSBDPSA-N -1 0 389.408 0.386 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000422696814 1194689078 /nfs/dbraw/zinc/68/90/78/1194689078.db2.gz SMYLVHKSMWKIMG-UKRRQHHQSA-N -1 0 390.440 0.104 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000422694890 1194689162 /nfs/dbraw/zinc/68/91/62/1194689162.db2.gz UCUAURBQIYUVJB-ZYHUDNBSSA-N -1 0 378.381 0.990 20 0 GCADRM COc1cc(CNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000422695825 1194689225 /nfs/dbraw/zinc/68/92/25/1194689225.db2.gz QFPRGJCBUAAEIP-YPMHNXCESA-N -1 0 394.424 0.898 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000422697175 1194689236 /nfs/dbraw/zinc/68/92/36/1194689236.db2.gz UDRNJOOGOIIYMO-DGCLKSJQSA-N -1 0 397.453 0.244 20 0 GCADRM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2 ZINC000422694249 1194689240 /nfs/dbraw/zinc/68/92/40/1194689240.db2.gz XDNIYBQUKHOGOY-NSHDSACASA-N -1 0 397.453 0.053 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000422696812 1194689250 /nfs/dbraw/zinc/68/92/50/1194689250.db2.gz SMYLVHKSMWKIMG-DZGCQCFKSA-N -1 0 390.440 0.104 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000422697719 1194689286 /nfs/dbraw/zinc/68/92/86/1194689286.db2.gz VVFWKFPBWRQEKM-VXGBXAGGSA-N -1 0 395.843 0.755 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000422694888 1194689293 /nfs/dbraw/zinc/68/92/93/1194689293.db2.gz UCUAURBQIYUVJB-PWSUYJOCSA-N -1 0 378.381 0.990 20 0 GCADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000422699800 1194689462 /nfs/dbraw/zinc/68/94/62/1194689462.db2.gz BBSMOMXNRFCKNF-TZMCWYRMSA-N -1 0 391.424 0.110 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C1 ZINC000422698624 1194689542 /nfs/dbraw/zinc/68/95/42/1194689542.db2.gz AFFMGBMCEDWRLE-VNQPRFMTSA-N -1 0 393.484 0.853 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 ZINC000422697853 1194689644 /nfs/dbraw/zinc/68/96/44/1194689644.db2.gz WLVFXUDOPCKDMT-SWLSCSKDSA-N -1 0 375.425 0.574 20 0 GCADRM CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)N1CCOCC1 ZINC000422698445 1194689658 /nfs/dbraw/zinc/68/96/58/1194689658.db2.gz ZHNLBZVVWUIXGK-UAGQMJEPSA-N -1 0 397.516 0.809 20 0 GCADRM 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O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001594960661 955013790 /nfs/dbraw/zinc/01/37/90/955013790.db2.gz AXYNONUIKGEXJM-NEPJUHHUSA-N -1 0 375.349 0.797 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CCc1ccccc1C(N)=O)C[C@@H]2C(=O)[O-] ZINC001593819269 955016019 /nfs/dbraw/zinc/01/60/19/955016019.db2.gz CKHGXHMVAAAIQZ-KLSXAPCHSA-N -1 0 388.420 0.831 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(Br)c1F ZINC001594961152 955017201 /nfs/dbraw/zinc/01/72/01/955017201.db2.gz JZFZQUJTVZMRKN-SECBINFHSA-N -1 0 380.191 0.912 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001594961352 955017872 /nfs/dbraw/zinc/01/78/72/955017872.db2.gz KQPODBJMOFOJOL-MRVPVSSYSA-N -1 0 392.315 0.301 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCn3c(C)ncc3C1)C[C@@H]2C(=O)[O-] ZINC001593819515 955018507 /nfs/dbraw/zinc/01/85/07/955018507.db2.gz DHNGJTVDLZBHHG-MBRDSATJSA-N -1 0 375.425 0.866 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccc3[nH]c(CO)nc3c1)C[C@@H]2C(=O)[O-] ZINC001593819597 955019925 /nfs/dbraw/zinc/01/99/25/955019925.db2.gz JNULYMBSBJFKEL-DKXWOSEQSA-N -1 0 387.392 0.781 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccnc2[nH]c(CC3CC3)nc21 ZINC001594961847 955020570 /nfs/dbraw/zinc/02/05/70/955020570.db2.gz NDXVDALWLOTZPV-NSHDSACASA-N -1 0 378.410 0.234 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CC[C@@H]1C[C@H](C(=O)OC)CO1)C[C@@H]2C(=O)[O-] ZINC001593819868 955023605 /nfs/dbraw/zinc/02/36/05/955023605.db2.gz HITBOJSVKZMOJY-WWJVJYQWSA-N -1 0 397.424 0.457 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)c1ccc(Br)cc1 ZINC001594962731 955026209 /nfs/dbraw/zinc/02/62/09/955026209.db2.gz VNOZJEVIVDXPIN-RYUDHWBXSA-N -1 0 378.244 0.666 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H](C)C1(OC)CCOCC1)C[C@@H]2C(=O)[O-] ZINC001593820233 955027102 /nfs/dbraw/zinc/02/71/02/955027102.db2.gz AVFXCDXBMXWJTQ-CZJPOVKDSA-N -1 0 398.456 0.866 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@@H](C)NC(=O)c1cccs1)C[C@@H]2C(=O)[O-] ZINC001593820473 955031637 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COC(=O)C1CC2(C1)CN(C(=O)c1cc([C@@H]3CCCN3C)[nH]n1)C[C@H]2C(=O)[O-] ZINC001593823492 955062768 /nfs/dbraw/zinc/06/27/68/955062768.db2.gz KPIAOHJNAPKNOX-OTILFKORSA-N -1 0 390.440 0.902 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1c(C)c(C)nn(C)c1=O)C[C@@H]2C(=O)[O-] ZINC001593824024 955070752 /nfs/dbraw/zinc/07/07/52/955070752.db2.gz OWITVXAUYGGGEM-BJCXPLBRSA-N -1 0 377.397 0.123 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)C[C@H]2C(=O)[O-] ZINC001593824576 955082871 /nfs/dbraw/zinc/08/28/71/955082871.db2.gz VXJIGUPGKWIXKO-NDZHFWNPSA-N -1 0 395.456 0.574 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCc1ccc(C)n(C)c1=O)C[C@@H]2C(=O)[O-] ZINC001593824730 955084652 /nfs/dbraw/zinc/08/46/52/955084652.db2.gz WUUCTEDKEKRCGS-SHYRYGCCSA-N -1 0 391.424 0.489 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCc1ccc(OC)nc1)C[C@H]2C(=O)[O-] ZINC001593824789 955087391 /nfs/dbraw/zinc/08/73/91/955087391.db2.gz YRQBGONMWUBTMQ-BIWSTMPVSA-N -1 0 391.424 0.928 20 0 GCADRM 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ZINC001588700450 960806071 /nfs/dbraw/zinc/80/60/71/960806071.db2.gz SENWUSDEQXUUOP-VEVIJQCQSA-N -1 0 384.429 0.572 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CCS(=O)(=O)CC(=O)[O-])C2)C1 ZINC001588700825 960807236 /nfs/dbraw/zinc/80/72/36/960807236.db2.gz UVXFPPAPFHNJTK-INIZCTEOSA-N -1 0 392.474 0.198 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C(=O)[O-])CCCO3)C2)C1 ZINC001588700863 960807839 /nfs/dbraw/zinc/80/78/39/960807839.db2.gz VOCCFOFOVDONIC-ZWKOTPCHSA-N -1 0 384.429 0.859 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCOC(=O)C2CC2)C1 ZINC001588700845 960807863 /nfs/dbraw/zinc/80/78/63/960807863.db2.gz UYVYEIBSZABYDJ-KRWDZBQOSA-N -1 0 386.401 0.147 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C1 ZINC001588700887 960808238 /nfs/dbraw/zinc/80/82/38/960808238.db2.gz WJGJPAPHRKGDBI-CYBMUJFWSA-N -1 0 392.474 0.749 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C1 ZINC001588700889 960808426 /nfs/dbraw/zinc/80/84/26/960808426.db2.gz WJGJPAPHRKGDBI-ZDUSSCGKSA-N -1 0 392.474 0.749 20 0 GCADRM Cc1cc(C)n(Cc2cccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])c2)n1 ZINC001574325232 960839832 /nfs/dbraw/zinc/83/98/32/960839832.db2.gz DSRJGLWKLCOMKK-INIZCTEOSA-N -1 0 391.449 0.872 20 0 GCADRM CC[C@@H](CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)[O-] ZINC001573805196 960852179 /nfs/dbraw/zinc/85/21/79/960852179.db2.gz GUAMHMUEUILPHZ-NWDGAFQWSA-N -1 0 380.463 0.653 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573809303 960871443 /nfs/dbraw/zinc/87/14/43/960871443.db2.gz MYOAZWGWPGAWGP-RISCZKNCSA-N -1 0 382.442 0.150 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001573809301 960872428 /nfs/dbraw/zinc/87/24/28/960872428.db2.gz MYOAZWGWPGAWGP-BXUZGUMPSA-N -1 0 382.442 0.150 20 0 GCADRM Cc1cc(Cl)cc(C)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001574330703 960883519 /nfs/dbraw/zinc/88/35/19/960883519.db2.gz JTPIPTOWOHECCO-NSHDSACASA-N -1 0 381.859 0.829 20 0 GCADRM CC[C@](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)(C(=O)OC)c1ccccc1 ZINC001573810299 960883843 /nfs/dbraw/zinc/88/38/43/960883843.db2.gz DQCKESRMAHMRCW-AUUYWEPGSA-N -1 0 376.409 0.904 20 0 GCADRM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)C1CC1 ZINC001588708918 960902152 /nfs/dbraw/zinc/90/21/52/960902152.db2.gz KIIVIKFOMQGTHF-ZDUSSCGKSA-N -1 0 379.413 0.966 20 0 GCADRM CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001588715135 960946151 /nfs/dbraw/zinc/94/61/51/960946151.db2.gz OKSTUQDYGTTYND-OFEPTWOUSA-N -1 0 384.429 0.476 20 0 GCADRM CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)n1 ZINC001588717154 960979895 /nfs/dbraw/zinc/97/98/95/960979895.db2.gz LHTMZXRERWEXPN-KRWDZBQOSA-N -1 0 382.417 0.771 20 0 GCADRM CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)n1 ZINC001588717155 960980564 /nfs/dbraw/zinc/98/05/64/960980564.db2.gz LHTMZXRERWEXPN-QGZVFWFLSA-N -1 0 382.417 0.771 20 0 GCADRM Cc1ccc(C(=O)N2CCN(C(=O)c3cn(CC(=O)[O-])nn3)CC2)cc1F ZINC001574351176 960987428 /nfs/dbraw/zinc/98/74/28/960987428.db2.gz CJGYMSUDOJDFOQ-UHFFFAOYSA-N -1 0 375.360 0.408 20 0 GCADRM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001574351196 960988871 /nfs/dbraw/zinc/98/88/71/960988871.db2.gz FKURGQJKKPQCMD-UHFFFAOYSA-N -1 0 396.201 0.802 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@H](NC(=O)NC[C@](C)(O)C(=O)[O-])C(F)(F)F ZINC001588717684 960991411 /nfs/dbraw/zinc/99/14/11/960991411.db2.gz XEROITGTTPEZJT-SDBXPKJASA-N -1 0 387.355 0.967 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)NC[C@](C)(O)C(=O)[O-])C(F)(F)F ZINC001588717683 960991673 /nfs/dbraw/zinc/99/16/73/960991673.db2.gz XEROITGTTPEZJT-OQPBUACISA-N -1 0 387.355 0.967 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001588720025 961014793 /nfs/dbraw/zinc/01/47/93/961014793.db2.gz XVBJDWCYXGBFSP-NSHDSACASA-N -1 0 392.474 0.686 20 0 GCADRM Cc1ccc([C@H](NC(=O)c2cn(CC(=O)[O-])nn2)[C@H](C)S(C)(=O)=O)cc1 ZINC001574359694 961020401 /nfs/dbraw/zinc/02/04/01/961020401.db2.gz VZLDJGMBDOPAEE-XHDPSFHLSA-N -1 0 380.426 0.575 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC001588725446 961039973 /nfs/dbraw/zinc/03/99/73/961039973.db2.gz OASRSJLQABYQJB-QWHCGFSZSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCN(C(=O)C(=O)[O-])CC2)[C@H]2C[C@H]21 ZINC001588725779 961045648 /nfs/dbraw/zinc/04/56/48/961045648.db2.gz TZDIGANDCCBKMY-QNWHQSFQSA-N -1 0 381.429 0.291 20 0 GCADRM O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1 ZINC001325143207 961052148 /nfs/dbraw/zinc/05/21/48/961052148.db2.gz KBOZLCNFHAJWCP-ZDUSSCGKSA-N -1 0 380.422 0.654 20 0 GCADRM CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])o1 ZINC001588726727 961064887 /nfs/dbraw/zinc/06/48/87/961064887.db2.gz MJEAZKGORUAHSD-PZBABLGHSA-N -1 0 399.421 0.958 20 0 GCADRM O=C([O-])[C@]12CN(S(=O)(=O)c3ccc4c(c3)C(=O)CCO4)C[C@H]1COCC2 ZINC001326017668 961068175 /nfs/dbraw/zinc/06/81/75/961068175.db2.gz FZMQEPWVJHUQRU-APPDUMDISA-N -1 0 381.406 0.764 20 0 GCADRM Cc1nn(CC(=O)[O-])c(C)c1CNS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC001326052076 961070351 /nfs/dbraw/zinc/07/03/51/961070351.db2.gz LKWHUONGENGRNV-UHFFFAOYSA-N -1 0 397.457 0.611 20 0 GCADRM CNC(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCOCC2)c(C)c1 ZINC001326222300 961077548 /nfs/dbraw/zinc/07/75/48/961077548.db2.gz MXJUHLXVNDXCKL-UHFFFAOYSA-N -1 0 377.397 0.291 20 0 GCADRM O=C([O-])c1ccccc1CCNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001326415197 961088075 /nfs/dbraw/zinc/08/80/75/961088075.db2.gz ZXUCLFJPCHRITH-LBPRGKRZSA-N -1 0 375.468 0.672 20 0 GCADRM Cc1ccc(NC(=O)c2cn(CC(=O)[O-])nn2)cc1N1CCCS1(=O)=O ZINC001574375463 961095024 /nfs/dbraw/zinc/09/50/24/961095024.db2.gz VMNPFKLLDZLLBJ-UHFFFAOYSA-N -1 0 379.398 0.463 20 0 GCADRM CCCCNC(=O)[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001573848265 961105955 /nfs/dbraw/zinc/10/59/55/961105955.db2.gz AWRSNRQGZFUNRF-ZDUSSCGKSA-N -1 0 388.486 0.421 20 0 GCADRM Cc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001574382262 961113907 /nfs/dbraw/zinc/11/39/07/961113907.db2.gz LZRZWYQMVWLIBX-VMBJYNEYSA-N -1 0 382.438 0.785 20 0 GCADRM CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573854866 961142561 /nfs/dbraw/zinc/14/25/61/961142561.db2.gz IHOFWRCFLZOKGV-ZIAGYGMSSA-N -1 0 375.491 0.608 20 0 GCADRM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)C2)nn1 ZINC001327189590 961145781 /nfs/dbraw/zinc/14/57/81/961145781.db2.gz OKGOSKRHJKZKLE-JQWIXIFHSA-N -1 0 391.350 0.403 20 0 GCADRM Cc1oc(C)c(S(=O)(=O)N2CCN(Cc3ncccn3)CC2)c1C(=O)[O-] ZINC001327352754 961156326 /nfs/dbraw/zinc/15/63/26/961156326.db2.gz YCLBALXPFVVHMH-UHFFFAOYSA-N -1 0 380.426 0.891 20 0 GCADRM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(CCC(=O)OC)CC(=O)[O-] ZINC001573862448 961179721 /nfs/dbraw/zinc/17/97/21/961179721.db2.gz VNLDHTNTKYOWKF-LBPRGKRZSA-N -1 0 378.447 0.057 20 0 GCADRM Cc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C(=O)[O-])c1 ZINC001574392376 961190070 /nfs/dbraw/zinc/19/00/70/961190070.db2.gz SWISBPIUXGNJAB-INIZCTEOSA-N -1 0 390.417 0.810 20 0 GCADRM Cc1cccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)C(=O)[O-])c1 ZINC001574392591 961193417 /nfs/dbraw/zinc/19/34/17/961193417.db2.gz WOAQDCCVTHHTST-AWEZNQCLSA-N -1 0 382.376 0.496 20 0 GCADRM O=C([O-])C1(CNC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CCOCC1 ZINC001328189768 961197621 /nfs/dbraw/zinc/19/76/21/961197621.db2.gz KQHHAKUHBKTKPR-LLVKDONJSA-N -1 0 383.367 0.430 20 0 GCADRM O=C([O-])C1(CNC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)CCOCC1 ZINC001328189719 961198371 /nfs/dbraw/zinc/19/83/71/961198371.db2.gz IQPPKUNGNLIDBF-UHFFFAOYSA-N -1 0 395.378 0.968 20 0 GCADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccoc1C(=O)[O-] ZINC001328341326 961201580 /nfs/dbraw/zinc/20/15/80/961201580.db2.gz WIKCDZDCFKHSEZ-UHFFFAOYSA-N -1 0 390.396 0.867 20 0 GCADRM Cc1ccc(C)c(OC[C@H](O)CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001329134631 961243384 /nfs/dbraw/zinc/24/33/84/961243384.db2.gz HPYSEBKUNZWGLF-XLIONFOSSA-N -1 0 378.469 0.904 20 0 GCADRM CCN(C1CCN(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)CC1)S(C)(=O)=O ZINC001573875417 961247104 /nfs/dbraw/zinc/24/71/04/961247104.db2.gz PCPIPZLAOJCELT-JSGCOSHPSA-N -1 0 376.475 0.529 20 0 GCADRM CCN(CC)C(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001573877947 961258790 /nfs/dbraw/zinc/25/87/90/961258790.db2.gz JJQJYXJBRXVEQL-AWEZNQCLSA-N -1 0 382.438 0.492 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H](OC)C(=O)[O-])c1 ZINC001573879842 961272237 /nfs/dbraw/zinc/27/22/37/961272237.db2.gz WXNVZAAAEXZJRL-CQSZACIVSA-N -1 0 387.458 0.821 20 0 GCADRM Cc1cnc(Cl)c(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001574410423 961273208 /nfs/dbraw/zinc/27/32/08/961273208.db2.gz APNUVTVHZIGPCD-SNVBAGLBSA-N -1 0 375.834 0.787 20 0 GCADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001329569078 961277122 /nfs/dbraw/zinc/27/71/22/961277122.db2.gz JXKWRCRSPFELNL-LZWOXQAQSA-N -1 0 375.491 0.070 20 0 GCADRM 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VFXNOHAXOSMHME-GZBFAFLISA-N -1 0 384.454 0.752 20 0 GCADRM CN1C(=O)c2ccc(C(=O)N3CCC(n4cc(C(=O)[O-])nn4)CC3)cc2C1=O ZINC000659221076 975831309 /nfs/dbraw/zinc/83/13/09/975831309.db2.gz FCWSYEHJQXZMFB-UHFFFAOYSA-N -1 0 383.364 0.679 20 0 GCADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000659222407 975833141 /nfs/dbraw/zinc/83/31/41/975833141.db2.gz QNRKVLWXWGKJQZ-LBPRGKRZSA-N -1 0 387.462 0.104 20 0 GCADRM CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000659248615 975844253 /nfs/dbraw/zinc/84/42/53/975844253.db2.gz KWVLNDXOCWKXKM-NWDGAFQWSA-N -1 0 379.438 0.950 20 0 GCADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CCO[C@H]1C ZINC001591761184 975847286 /nfs/dbraw/zinc/84/72/86/975847286.db2.gz IHNAJJUOSPIPMZ-VOJFVSQTSA-N -1 0 380.397 0.767 20 0 GCADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC001591761277 975848401 /nfs/dbraw/zinc/84/84/01/975848401.db2.gz LAPMAGRPOGUETB-NSHDSACASA-N -1 0 377.397 0.848 20 0 GCADRM CN(C(=O)CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCCC1 ZINC000659653959 975853825 /nfs/dbraw/zinc/85/38/25/975853825.db2.gz GLSZITFBCFYTAA-UHFFFAOYSA-N -1 0 381.473 0.997 20 0 GCADRM CC(=O)NCc1ccc(CNC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000659658535 975855421 /nfs/dbraw/zinc/85/54/21/975855421.db2.gz LJUFKPSCEOGCLS-UHFFFAOYSA-N -1 0 375.425 0.699 20 0 GCADRM O=C([O-])CCC1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000662913666 975918113 /nfs/dbraw/zinc/91/81/13/975918113.db2.gz AJEPYVKBAMQPOQ-OAHLLOKOSA-N -1 0 379.457 0.561 20 0 GCADRM CC(C)NC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC000662912379 975918323 /nfs/dbraw/zinc/91/83/23/975918323.db2.gz ZYZYFWTWBNZEHI-GJZGRUSLSA-N -1 0 381.473 0.853 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000663053839 975921162 /nfs/dbraw/zinc/92/11/62/975921162.db2.gz FUJRAIGJAFNBJZ-FZMZJTMJSA-N -1 0 398.412 0.279 20 0 GCADRM O=C([O-])C1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000663353678 975946878 /nfs/dbraw/zinc/94/68/78/975946878.db2.gz ZEGQNBFMKHMXPK-UHFFFAOYSA-N -1 0 384.414 0.089 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCO1 ZINC000666543305 975969040 /nfs/dbraw/zinc/96/90/40/975969040.db2.gz UPSIMUNFRFDELY-CABCVRRESA-N -1 0 397.378 0.951 20 0 GCADRM CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000666547715 975970016 /nfs/dbraw/zinc/97/00/16/975970016.db2.gz IUMDHRWGUUAKSA-OPRDCNLKSA-N -1 0 385.446 0.559 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CCO1 ZINC000666546361 975970211 /nfs/dbraw/zinc/97/02/11/975970211.db2.gz HZBQHZIJIUDXJM-HZPDHXFCSA-N -1 0 375.425 0.715 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CCO1 ZINC000666546669 975970768 /nfs/dbraw/zinc/97/07/68/975970768.db2.gz OATQEHGAGFDKSV-ZFWWWQNUSA-N -1 0 377.397 0.161 20 0 GCADRM CC(C)Oc1cccc(CN(C)C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)c1 ZINC001591792312 975997581 /nfs/dbraw/zinc/99/75/81/975997581.db2.gz WHEXBSCKMPRLTO-GJZGRUSLSA-N -1 0 378.425 0.726 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c(OC)c1C(=O)[O-] ZINC000669624647 976008715 /nfs/dbraw/zinc/00/87/15/976008715.db2.gz DHUWKPWRGKSYNH-INIZCTEOSA-N -1 0 387.410 0.582 20 0 GCADRM CC(C)Oc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001591796674 976010638 /nfs/dbraw/zinc/01/06/38/976010638.db2.gz PBKBIXHCAFFYRX-CQSZACIVSA-N -1 0 377.397 0.604 20 0 GCADRM COCCNS(=O)(=O)c1cccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000675945483 976015013 /nfs/dbraw/zinc/01/50/13/976015013.db2.gz METOXODDWAUCDX-UHFFFAOYSA-N -1 0 399.450 0.947 20 0 GCADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC000675948567 976020073 /nfs/dbraw/zinc/02/00/73/976020073.db2.gz RYIGLQNBENFWAU-CYBMUJFWSA-N -1 0 375.385 0.321 20 0 GCADRM CS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000678991668 976037131 /nfs/dbraw/zinc/03/71/31/976037131.db2.gz WTGPKYBABBZPQS-UONOGXRCSA-N -1 0 388.417 0.588 20 0 GCADRM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679401270 976051615 /nfs/dbraw/zinc/05/16/15/976051615.db2.gz WZMICVFXTUVGJD-AAEUAGOBSA-N -1 0 386.474 0.560 20 0 GCADRM CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001591814795 976053191 /nfs/dbraw/zinc/05/31/91/976053191.db2.gz NRVORRVUIUHCTB-CYBMUJFWSA-N -1 0 378.429 0.815 20 0 GCADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000681357121 976060517 /nfs/dbraw/zinc/06/05/17/976060517.db2.gz YJNPPUQUGHZADN-OAHLLOKOSA-N -1 0 384.454 0.923 20 0 GCADRM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001591823686 976077327 /nfs/dbraw/zinc/07/73/27/976077327.db2.gz VRMBWTJRTLFGST-CYBMUJFWSA-N -1 0 386.401 0.375 20 0 GCADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC001591844061 976119565 /nfs/dbraw/zinc/11/95/65/976119565.db2.gz YJMGJOLMIZQFAY-VXGBXAGGSA-N -1 0 375.472 0.361 20 0 GCADRM CC(C)[C@H](NC(=O)CN(C)CCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC001591866147 976167582 /nfs/dbraw/zinc/16/75/82/976167582.db2.gz AQVLCDRYICJKII-IBGZPJMESA-N -1 0 376.501 0.966 20 0 GCADRM CC(C)[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C(=O)[O-] ZINC001591870060 976198858 /nfs/dbraw/zinc/19/88/58/976198858.db2.gz HJSKTGYCPFBVIG-SFHVURJKSA-N -1 0 394.447 0.607 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C)C(=O)[O-] ZINC001591875966 976223825 /nfs/dbraw/zinc/22/38/25/976223825.db2.gz FFFDAXZQYNDCHL-BONVTDFDSA-N -1 0 377.397 0.846 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)c1ccc(=O)n(-c2ccccc2F)n1)C(=O)[O-] ZINC001591876705 976225955 /nfs/dbraw/zinc/22/59/55/976225955.db2.gz BEOJUHJJYPNFPP-INIZCTEOSA-N -1 0 391.355 0.754 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)c1sccc1NS(C)(=O)=O)C(=O)[O-] ZINC001591876964 976227061 /nfs/dbraw/zinc/22/70/61/976227061.db2.gz LWPRERKKXUFZGU-JTQLQIEISA-N -1 0 378.428 0.502 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)c1cn(Cc2cccc(F)c2)nn1)C(=O)[O-] ZINC001591877783 976231341 /nfs/dbraw/zinc/23/13/41/976231341.db2.gz RDHWHAXGZLZSEM-HNNXBMFYSA-N -1 0 378.360 0.848 20 0 GCADRM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001591877900 976232525 /nfs/dbraw/zinc/23/25/25/976232525.db2.gz WLGXOKNIXRDSGG-RDJZCZTQSA-N -1 0 388.424 0.741 20 0 GCADRM CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCN1C ZINC001591907326 976310683 /nfs/dbraw/zinc/31/06/83/976310683.db2.gz MEMGBUGAGCVGAT-YYHKSVKZSA-N -1 0 381.473 0.314 20 0 GCADRM Cc1cc(I)cc(NC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000690624033 976325324 /nfs/dbraw/zinc/32/53/24/976325324.db2.gz AFJGGIBQLINEKS-UHFFFAOYSA-N -1 0 391.165 0.922 20 0 GCADRM CC(C)c1[nH]c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1C(=O)[O-] ZINC001591912673 976351126 /nfs/dbraw/zinc/35/11/26/976351126.db2.gz QHRNXBMZFOQTNN-UHFFFAOYSA-N -1 0 390.444 0.299 20 0 GCADRM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cnn(C)c1I ZINC000692354913 976430877 /nfs/dbraw/zinc/43/08/77/976430877.db2.gz WBDXHIFKBZJINQ-LBPRGKRZSA-N -1 0 393.181 0.731 20 0 GCADRM CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(=O)[O-])c1 ZINC001591966237 976562520 /nfs/dbraw/zinc/56/25/20/976562520.db2.gz YAXQVPNZYZXPFG-UHFFFAOYSA-N -1 0 399.407 0.894 20 0 GCADRM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC001591973045 976573681 /nfs/dbraw/zinc/57/36/81/976573681.db2.gz UEAFOUCLELCZOJ-KBMXLJTQSA-N -1 0 396.465 0.619 20 0 GCADRM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@H]2C(=O)[O-])cc1 ZINC001591973040 976574292 /nfs/dbraw/zinc/57/42/92/976574292.db2.gz UEAFOUCLELCZOJ-BMFZPTHFSA-N -1 0 396.465 0.619 20 0 GCADRM CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)n1 ZINC001592004797 976668532 /nfs/dbraw/zinc/66/85/32/976668532.db2.gz RRPRAEUZSITDMR-JOCQHMNTSA-N -1 0 375.429 0.228 20 0 GCADRM CC(C)c1ccnc(N2CCN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)n1 ZINC001592004449 976668538 /nfs/dbraw/zinc/66/85/38/976668538.db2.gz QIKVFIAXFGLSGG-UKRRQHHQSA-N -1 0 377.445 0.921 20 0 GCADRM CC(C)c1ccnc(N2CCN(C(=O)CN3CCC[C@H](C(=O)[O-])C3=O)CC2)n1 ZINC001592004821 976669085 /nfs/dbraw/zinc/66/90/85/976669085.db2.gz TZBGEVYICXTKBZ-AWEZNQCLSA-N -1 0 389.456 0.572 20 0 GCADRM CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCCCC(=O)C(=O)[O-] ZINC001592049837 976781871 /nfs/dbraw/zinc/78/18/71/976781871.db2.gz GDBSRDPOQDXQFL-NSHDSACASA-N -1 0 386.426 0.957 20 0 GCADRM CCN(C(=O)CN(CCC(=O)[O-])Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000701338206 977007491 /nfs/dbraw/zinc/00/74/91/977007491.db2.gz ZDRIHOOHIQTPNB-MRXNPFEDSA-N -1 0 382.482 0.999 20 0 GCADRM CC(C)n1ncc(C(=O)N[C@](C)(CO)C(=O)[O-])c1I ZINC001592153691 977028953 /nfs/dbraw/zinc/02/89/53/977028953.db2.gz PNOCCLXJZLJKLC-LLVKDONJSA-N -1 0 381.170 0.634 20 0 GCADRM CC(C)n1ncc2c1[C@H](NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CCC2 ZINC001592157965 977036467 /nfs/dbraw/zinc/03/64/67/977036467.db2.gz NKEFYELWYTXUCC-MELADBBJSA-N -1 0 378.429 0.252 20 0 GCADRM CC(C)n1ncc2cc(C=CC(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])c(=O)[nH]c21 ZINC001592163773 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390.177 0.751 20 0 GCADRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001592219348 977386509 /nfs/dbraw/zinc/38/65/09/977386509.db2.gz RZYGLGKGWHGHOH-DUVUQDDDSA-N -1 0 378.447 0.571 20 0 GCADRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC001592220710 977396278 /nfs/dbraw/zinc/39/62/78/977396278.db2.gz ZVVHJGCRDQWXIT-TUUFMJSCSA-N -1 0 383.348 0.625 20 0 GCADRM C[C@H](CC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1)NC(N)=O ZINC001592227372 977424924 /nfs/dbraw/zinc/42/49/24/977424924.db2.gz PGJGHTMGINJLMH-UKOZFGRRSA-N -1 0 383.445 0.714 20 0 GCADRM C[C@H](CC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1)NC(N)=O ZINC001592227369 977424941 /nfs/dbraw/zinc/42/49/41/977424941.db2.gz PGJGHTMGINJLMH-NTSVMDCRSA-N -1 0 383.445 0.714 20 0 GCADRM C[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])n1cc(Br)cn1 ZINC001592234313 977438140 /nfs/dbraw/zinc/43/81/40/977438140.db2.gz WFXQHIOTORWFND-ONGXEEELSA-N -1 0 387.234 0.789 20 0 GCADRM 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HBCQVKKKXXEJIR-ZDUSSCGKSA-N -1 0 378.447 0.095 20 0 GCADRM CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])n2C)CC1 ZINC001596651740 984683292 /nfs/dbraw/zinc/68/32/92/984683292.db2.gz KSAXBTVNBIMDTO-NSHDSACASA-N -1 0 381.385 0.569 20 0 GCADRM CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001596651776 984683467 /nfs/dbraw/zinc/68/34/67/984683467.db2.gz LQRLHPDUZBDMJN-NSHDSACASA-N -1 0 379.369 0.626 20 0 GCADRM CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001596651775 984683536 /nfs/dbraw/zinc/68/35/36/984683536.db2.gz LQRLHPDUZBDMJN-LLVKDONJSA-N -1 0 379.369 0.626 20 0 GCADRM CCOC(=O)N1CCN(C(=O)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001596651929 984685081 /nfs/dbraw/zinc/68/50/81/984685081.db2.gz RUVZWXOMCPXRBL-UHFFFAOYSA-N -1 0 375.381 0.528 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1)c1ccc(F)cc1F ZINC001599891029 984694330 /nfs/dbraw/zinc/69/43/30/984694330.db2.gz DOASCUXMQTZXJA-HUTHGQBESA-N -1 0 381.335 0.974 20 0 GCADRM CCOC(=O)N[C@H](CNC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1)CC(C)C ZINC001596657196 984697301 /nfs/dbraw/zinc/69/73/01/984697301.db2.gz CNNAOFYOOHHUFI-AVGNSLFASA-N -1 0 387.433 0.662 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(=O)N(C)C ZINC001599891840 984703272 /nfs/dbraw/zinc/70/32/72/984703272.db2.gz XZDCVKAOLCEPFZ-NSHDSACASA-N -1 0 376.413 0.516 20 0 GCADRM C[C@H](NC(=O)CCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])c1ccccc1 ZINC001599892802 984715857 /nfs/dbraw/zinc/71/58/57/984715857.db2.gz CPXIRXWDSDUHKE-ZFWWWQNUSA-N -1 0 375.425 0.836 20 0 GCADRM C[C@H](NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C(=O)N1CCCC1 ZINC001599894318 984733991 /nfs/dbraw/zinc/73/39/91/984733991.db2.gz RDQUKNCOPZASBF-JQWIXIFHSA-N -1 0 394.453 0.862 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)C(=O)[O-] ZINC001599895109 984742688 /nfs/dbraw/zinc/74/26/88/984742688.db2.gz GVAZQVMUHHCXCR-CIUDSAMLSA-N -1 0 381.376 0.629 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1)C(=O)[O-] ZINC001599895289 984745116 /nfs/dbraw/zinc/74/51/16/984745116.db2.gz LEJLVYLJPXBHOQ-SRVKXCTJSA-N -1 0 379.388 0.663 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1)C(=O)[O-] ZINC001599895288 984745500 /nfs/dbraw/zinc/74/55/00/984745500.db2.gz LEJLVYLJPXBHOQ-SDDRHHMPSA-N -1 0 379.388 0.663 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)[O-] ZINC001599895442 984747438 /nfs/dbraw/zinc/74/74/38/984747438.db2.gz RNUGZIGBRKGEOA-FJHFEUQMSA-N -1 0 377.422 0.709 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cc1csc(NC(=O)c2ccco2)n1)C(=O)[O-] ZINC001599895677 984749786 /nfs/dbraw/zinc/74/97/86/984749786.db2.gz COHXXWSGDYFJDP-IUCAKERBSA-N -1 0 394.409 0.625 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)C(=O)[O-] ZINC001599895732 984750696 /nfs/dbraw/zinc/75/06/96/984750696.db2.gz GMHWBZPBYSVCQJ-YUMQZZPRSA-N -1 0 376.335 0.485 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](c1ccccc1)N1CCOC1=O)C(=O)[O-] ZINC001599895724 984750766 /nfs/dbraw/zinc/75/07/66/984750766.db2.gz GDQUUUYSSQDPHH-SGMGOOAPSA-N -1 0 377.397 0.664 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCn2c(nnc2C2CCCC2)C1)C(=O)[O-] ZINC001599896764 984762593 /nfs/dbraw/zinc/76/25/93/984762593.db2.gz NTIZQVRRCOIVFL-QWRGUYRKSA-N -1 0 378.433 0.439 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O)C(=O)[O-] ZINC001599896829 984763453 /nfs/dbraw/zinc/76/34/53/984763453.db2.gz PJLRKAKJFRHTNV-JBLDHEPKSA-N -1 0 398.847 0.261 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC001599896840 984763811 /nfs/dbraw/zinc/76/38/11/984763811.db2.gz PWNAFIUTBDINEW-OUJBWJOFSA-N -1 0 380.376 0.208 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)C(=O)[O-] ZINC001599897097 984766420 /nfs/dbraw/zinc/76/64/20/984766420.db2.gz UVYPJNQEVQEWMA-QNSTZXKLSA-N -1 0 395.460 0.657 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001599897193 984767898 /nfs/dbraw/zinc/76/78/98/984767898.db2.gz BCQWWVMNIYVVNC-RYUDHWBXSA-N -1 0 386.449 0.617 20 0 GCADRM C/C(=C/CNC(=O)Cn1nc(Br)c(Br)n1)C(=O)[O-] ZINC001588967332 984767876 /nfs/dbraw/zinc/76/78/76/984767876.db2.gz WDULWRGJRWCLRF-DJWKRKHSSA-N -1 0 382.012 0.950 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1)C(=O)[O-] ZINC001599897286 984768689 /nfs/dbraw/zinc/76/86/89/984768689.db2.gz DITJZNNJFKSHRU-MELADBBJSA-N -1 0 398.460 0.761 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC001599897447 984770367 /nfs/dbraw/zinc/77/03/67/984770367.db2.gz GHWANQJVHNHDNU-YDHLFZDLSA-N -1 0 390.440 0.312 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(CC(=O)N2CCCC2)CC1)C(=O)[O-] ZINC001599898093 984779340 /nfs/dbraw/zinc/77/93/40/984779340.db2.gz RYTKGRQPFZKZPP-STQMWFEESA-N -1 0 382.461 0.398 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(Oc2ccc(F)nc2)CC1)C(=O)[O-] ZINC001599898298 984781326 /nfs/dbraw/zinc/78/13/26/984781326.db2.gz UZOLCSVEZAIBTK-QWRGUYRKSA-N -1 0 382.392 0.751 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCCc1cnc2c(Cl)cnn2c1)C(=O)[O-] ZINC001599898351 984782223 /nfs/dbraw/zinc/78/22/23/984782223.db2.gz VDDAVUMGCNOKHX-IUCAKERBSA-N -1 0 382.808 0.202 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccccc1CN1CCOCC1)C(=O)[O-] ZINC001599898422 984782671 /nfs/dbraw/zinc/78/26/71/984782671.db2.gz XZHTXSGFMGBWTP-KBPBESRZSA-N -1 0 392.456 0.296 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1)C(=O)[O-] ZINC001599898698 984786901 /nfs/dbraw/zinc/78/69/01/984786901.db2.gz ZZCODXHKGOASSZ-KCQAQPDRSA-N -1 0 385.461 0.724 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccn(CC(F)(F)F)c1=O)C(=O)[O-] ZINC001599899048 984790595 /nfs/dbraw/zinc/79/05/95/984790595.db2.gz DXMMOBLBOSWURZ-YUMQZZPRSA-N -1 0 378.307 0.510 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)C(=O)[O-] ZINC001599899196 984792197 /nfs/dbraw/zinc/79/21/97/984792197.db2.gz SNOICKHWFYSKCC-MMSPYSMKSA-N -1 0 399.398 0.991 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC001599899600 984796609 /nfs/dbraw/zinc/79/66/09/984796609.db2.gz MUMOCRHWBCVEID-RYUDHWBXSA-N -1 0 376.413 0.908 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001599899890 984800373 /nfs/dbraw/zinc/80/03/73/984800373.db2.gz RQWKSKXKPXKHAZ-YUMQZZPRSA-N -1 0 375.378 0.329 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1)C(=O)[O-] ZINC001599899996 984801758 /nfs/dbraw/zinc/80/17/58/984801758.db2.gz SGACSAFJBXJDAZ-QWRGUYRKSA-N -1 0 382.438 0.720 20 0 GCADRM CCOC(=O)c1[nH]ccc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001596691316 984803797 /nfs/dbraw/zinc/80/37/97/984803797.db2.gz INRKIXXKXMTIOG-NSHDSACASA-N -1 0 380.401 0.137 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC001599900513 984815928 /nfs/dbraw/zinc/81/59/28/984815928.db2.gz VNJDMQFOSIUATA-RYUDHWBXSA-N -1 0 380.426 0.188 20 0 GCADRM CCOC(=O)c1c(C)csc1NC(=O)C(=O)N1CCC[C@H](O)[C@@H]1C(=O)[O-] ZINC001596696738 984841416 /nfs/dbraw/zinc/84/14/16/984841416.db2.gz PUERNXKUGPYCHH-GXSJLCMTSA-N -1 0 384.410 0.608 20 0 GCADRM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC001596697023 984850326 /nfs/dbraw/zinc/85/03/26/984850326.db2.gz CGBJNPFFIKZRRT-GHMZBOCLSA-N -1 0 398.437 0.894 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001599902475 984865504 /nfs/dbraw/zinc/86/55/04/984865504.db2.gz HYRXXSDNODAFHR-LAEOZQHASA-N -1 0 380.344 0.575 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)N(C)[C@H](COC2CCC2)C(=O)[O-])cn1C ZINC001596712615 984926140 /nfs/dbraw/zinc/92/61/40/984926140.db2.gz JDMCRUUYONQPND-CQSZACIVSA-N -1 0 388.442 0.845 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cn1C ZINC001596712656 984927377 /nfs/dbraw/zinc/92/73/77/984927377.db2.gz MEHGKUCNJZXMHZ-GFCCVEGCSA-N -1 0 387.458 0.371 20 0 GCADRM C[C@H]1CCN(C(=O)Cn2ccc(C(=O)[O-])n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC001599906928 984935718 /nfs/dbraw/zinc/93/57/18/984935718.db2.gz UHKDZZXXNVNBJM-AUTRQRHGSA-N -1 0 376.335 0.885 20 0 GCADRM CCOC(=O)c1cc(S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])ccc1F ZINC001596713813 984938918 /nfs/dbraw/zinc/93/89/18/984938918.db2.gz JKYNVYLQLFGSLX-NOZJJQNGSA-N -1 0 375.374 0.770 20 0 GCADRM C[C@H]1CC[C@@](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)(C(=O)[O-])CC1 ZINC001599908184 984950049 /nfs/dbraw/zinc/95/00/49/984950049.db2.gz OGSPXRJZSAUVHV-FTRWYGJKSA-N -1 0 395.500 0.849 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)C[C@]1(C)C(=O)[O-] ZINC001599909104 984962014 /nfs/dbraw/zinc/96/20/14/984962014.db2.gz KESQKRBBLSOBAK-SQYUCLKFSA-N -1 0 380.363 0.575 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C[C@]1(C)C(=O)[O-] ZINC001599910432 984978295 /nfs/dbraw/zinc/97/82/95/984978295.db2.gz VAYGDQXFFLERRO-DOXZYTNZSA-N -1 0 381.473 0.269 20 0 GCADRM 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ZINC001599829448 988647791 /nfs/dbraw/zinc/64/77/91/988647791.db2.gz VQIOYGNOYPSCAT-UHFFFAOYSA-N -1 0 379.847 0.614 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001589920878 988657880 /nfs/dbraw/zinc/65/78/80/988657880.db2.gz QSQCFKQAIIDFPM-YPMHNXCESA-N -1 0 383.445 0.824 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589920918 988658873 /nfs/dbraw/zinc/65/88/73/988658873.db2.gz RSLYSIHSBBBTRG-GHMZBOCLSA-N -1 0 390.458 0.342 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589920920 988658909 /nfs/dbraw/zinc/65/89/09/988658909.db2.gz RSLYSIHSBBBTRG-QWRGUYRKSA-N -1 0 390.458 0.342 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001589920921 988659121 /nfs/dbraw/zinc/65/91/21/988659121.db2.gz RSLYSIHSBBBTRG-WDEREUQCSA-N -1 0 390.458 0.342 20 0 GCADRM CC(C)(C)OC(=O)N1CC(CCN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])C1 ZINC001589925960 988671900 /nfs/dbraw/zinc/67/19/00/988671900.db2.gz VHVKZKFGWVSBOM-CYBMUJFWSA-N -1 0 376.475 0.817 20 0 GCADRM CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(OCC(=O)[O-])c2)(C(N)=O)C1 ZINC001589928378 988674800 /nfs/dbraw/zinc/67/48/00/988674800.db2.gz BIRBSKRDVKJKEJ-UHFFFAOYSA-N -1 0 393.396 0.355 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])C1 ZINC001589928348 988675068 /nfs/dbraw/zinc/67/50/68/988675068.db2.gz ALMRTOIJLMKBMK-ZDUSSCGKSA-N -1 0 382.388 0.919 20 0 GCADRM CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3ccc(C(=O)[O-])o3)CC2=O)C1 ZINC001589928400 988676456 /nfs/dbraw/zinc/67/64/56/988676456.db2.gz CAIRQHKKXYMYFW-JTQLQIEISA-N -1 0 393.396 0.928 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001589928718 988679069 /nfs/dbraw/zinc/67/90/69/988679069.db2.gz JHBXJDJNLRVJFG-JKGQDXBKSA-N -1 0 384.429 0.497 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)NCC1CC1)C[C@@H]2C(=O)[O-] ZINC001589938644 988697284 /nfs/dbraw/zinc/69/72/84/988697284.db2.gz BRPHFGBTXWCDST-GFCCVEGCSA-N -1 0 381.429 0.293 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C1 ZINC001589938640 988697391 /nfs/dbraw/zinc/69/73/91/988697391.db2.gz BLIDKUNDWDQOTC-XQHKEYJVSA-N -1 0 391.428 0.909 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1 ZINC001589938872 988698355 /nfs/dbraw/zinc/69/83/55/988698355.db2.gz HGDGPSKYVKGMTE-MEDUHNTESA-N -1 0 390.458 0.359 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(C(N)=O)[nH]1)C[C@H]2C(=O)[O-] ZINC001589939304 988702716 /nfs/dbraw/zinc/70/27/16/988702716.db2.gz PHCMBFGOTGVXBK-JTQLQIEISA-N -1 0 392.412 0.507 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCOC(=O)N1)C[C@H]2C(=O)[O-] ZINC001589939682 988706960 /nfs/dbraw/zinc/70/69/60/988706960.db2.gz WNIXVXCKXUZNOV-WDEREUQCSA-N -1 0 383.401 0.265 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])C1 ZINC001589940096 988710515 /nfs/dbraw/zinc/71/05/15/988710515.db2.gz JJOMAYFKCHTEIB-CYBMUJFWSA-N -1 0 386.445 0.744 20 0 GCADRM CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001589940321 988713708 /nfs/dbraw/zinc/71/37/08/988713708.db2.gz RKLAODJBWSXMCP-UHFFFAOYSA-N -1 0 380.401 0.670 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])C1 ZINC001589940365 988714660 /nfs/dbraw/zinc/71/46/60/988714660.db2.gz ACCRZMJUJRFGHT-RYUDHWBXSA-N -1 0 384.429 0.966 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc(C(N)=O)ncn1)C[C@@H]2C(=O)[O-] ZINC001589940433 988715757 /nfs/dbraw/zinc/71/57/57/988715757.db2.gz BWIJRZKPDOIDLJ-SNVBAGLBSA-N -1 0 377.401 0.333 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)CO2 ZINC001589941539 988722767 /nfs/dbraw/zinc/72/27/67/988722767.db2.gz KTIBCGDAXJPDFP-NSHDSACASA-N -1 0 395.416 0.868 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)=NO2 ZINC001589941537 988722954 /nfs/dbraw/zinc/72/29/54/988722954.db2.gz KSHPQBNYKRBPKT-WDEREUQCSA-N -1 0 383.401 0.046 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)CO2 ZINC001589941538 988723241 /nfs/dbraw/zinc/72/32/41/988723241.db2.gz KTIBCGDAXJPDFP-LLVKDONJSA-N -1 0 395.416 0.868 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCO[C@H](CC(=O)[O-])C1)OC2=O ZINC001589941967 988726377 /nfs/dbraw/zinc/72/63/77/988726377.db2.gz PULUXTJDQWHYOW-CHWSQXEVSA-N -1 0 384.429 0.715 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCCN2Cc1cc(C(=O)[O-])no1 ZINC001589942096 988728484 /nfs/dbraw/zinc/72/84/84/988728484.db2.gz SISJUQBGOBTIKF-UHFFFAOYSA-N -1 0 380.401 0.684 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCSC1=O)C[C@@H]2C(=O)[O-] ZINC001589946592 988732819 /nfs/dbraw/zinc/73/28/19/988732819.db2.gz APSFOUGQMNNDAS-LLVKDONJSA-N -1 0 399.469 0.935 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CN1CCOC1=O)C[C@@H]2C(=O)[O-] ZINC001589947531 988736186 /nfs/dbraw/zinc/73/61/86/988736186.db2.gz GBNJOXJHYFHOKV-LLVKDONJSA-N -1 0 383.401 0.219 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)COC[C@@H]1CCCO1)C[C@@H]2C(=O)[O-] ZINC001589948992 988743129 /nfs/dbraw/zinc/74/31/29/988743129.db2.gz QZZIZUVTEJYYOJ-UONOGXRCSA-N -1 0 398.456 0.962 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)COC[C@H]1CCCO1)C[C@@H]2C(=O)[O-] ZINC001589948993 988743471 /nfs/dbraw/zinc/74/34/71/988743471.db2.gz QZZIZUVTEJYYOJ-ZIAGYGMSSA-N -1 0 398.456 0.962 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(CC(=O)Nc1cnccn1)C[C@H]2C(=O)[O-] ZINC001589949907 988747540 /nfs/dbraw/zinc/74/75/40/988747540.db2.gz XBHSQHWOUWKVLV-LBPRGKRZSA-N -1 0 391.428 0.669 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001589956243 988763940 /nfs/dbraw/zinc/76/39/40/988763940.db2.gz OTGPHPNJLAPZPD-BETUJISGSA-N -1 0 398.460 0.761 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)C(F)(F)F ZINC001599837376 988765685 /nfs/dbraw/zinc/76/56/85/988765685.db2.gz NRGRNLHCZCWIMZ-MRVPVSSYSA-N -1 0 375.303 0.435 20 0 GCADRM CCc1nc(COc2ccc(C(=O)N3CC(=O)N(C)C[C@@H]3C(=O)[O-])cc2)no1 ZINC001597673725 988776974 /nfs/dbraw/zinc/77/69/74/988776974.db2.gz GGPWYWALGXTTIM-CYBMUJFWSA-N -1 0 388.380 0.578 20 0 GCADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001599838171 988778702 /nfs/dbraw/zinc/77/87/02/988778702.db2.gz AVILDZGLEGBKMT-QLJPJBMISA-N -1 0 394.819 0.033 20 0 GCADRM CC(C)(C)OC(=O)N1CC=C(CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001589964255 988778906 /nfs/dbraw/zinc/77/89/06/988778906.db2.gz OUIHMGUUWNWNSI-BETUJISGSA-N -1 0 381.429 0.649 20 0 GCADRM C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599838449 988783212 /nfs/dbraw/zinc/78/32/12/988783212.db2.gz VCJSZCBONCPRIF-BXUZGUMPSA-N -1 0 386.412 0.112 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCCC(=O)NCCC(=O)[O-])C1 ZINC001589967119 988787532 /nfs/dbraw/zinc/78/75/32/988787532.db2.gz ILIMMZXUNVXOTC-BXUZGUMPSA-N -1 0 389.424 0.679 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])CC1 ZINC001589967861 988791836 /nfs/dbraw/zinc/79/18/36/988791836.db2.gz PJNBFNUVRCIHJU-ZDUSSCGKSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001589967853 988792059 /nfs/dbraw/zinc/79/20/59/988792059.db2.gz PICGRPBRHXXYRJ-GMXVVIOVSA-N -1 0 387.408 0.383 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001589971724 988800873 /nfs/dbraw/zinc/80/08/73/988800873.db2.gz CXIBLZVWHVCKSB-ZDUSSCGKSA-N -1 0 381.433 0.885 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001589979351 988840724 /nfs/dbraw/zinc/84/07/24/988840724.db2.gz LMQGSZFKHSXROX-GTNSWQLSSA-N -1 0 387.408 0.527 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])C1 ZINC001589979349 988840990 /nfs/dbraw/zinc/84/09/90/988840990.db2.gz LMQGSZFKHSXROX-APPDUMDISA-N -1 0 387.408 0.527 20 0 GCADRM 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CCc1nccn1[C@H](C)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001597703692 988942641 /nfs/dbraw/zinc/94/26/41/988942641.db2.gz VSMZEYSNPSPOBP-WOPDTQHZSA-N -1 0 377.401 0.003 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc(C(=O)[O-])nn1 ZINC001590005634 988954745 /nfs/dbraw/zinc/95/47/45/988954745.db2.gz SFGYCZSIKQLXOS-QWHCGFSZSA-N -1 0 379.417 0.977 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H](Cn2cncn2)C(=O)[O-])CC1 ZINC001590006040 988957342 /nfs/dbraw/zinc/95/73/42/988957342.db2.gz UPMOAEHXKXIRHZ-CHWSQXEVSA-N -1 0 381.433 0.885 20 0 GCADRM CCc1nn(C)c(CC)c1CC(=O)N1[C@H](C(=O)NCCC(=O)[O-])CS[C@H]1C ZINC001597712037 988974311 /nfs/dbraw/zinc/97/43/11/988974311.db2.gz KSCGALCVCNXCFM-NHYWBVRUSA-N -1 0 396.513 0.968 20 0 GCADRM CCc1nn(C)c(CC)c1CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)[O-] ZINC001597712039 988974749 /nfs/dbraw/zinc/97/47/49/988974749.db2.gz KSCGALCVCNXCFM-XHDPSFHLSA-N -1 0 396.513 0.968 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC001590014571 988980436 /nfs/dbraw/zinc/98/04/36/988980436.db2.gz DBPWRTOQXIBWNY-QWHCGFSZSA-N -1 0 399.444 0.204 20 0 GCADRM C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])no2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001599849191 988984556 /nfs/dbraw/zinc/98/45/56/988984556.db2.gz KKYWJYCHIHBUPF-SVRRBLITSA-N -1 0 385.320 0.450 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1 ZINC001590015400 988985862 /nfs/dbraw/zinc/98/58/62/988985862.db2.gz LOJXBUHYNRWWBO-SGTLLEGYSA-N -1 0 383.445 0.825 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001590015410 988985891 /nfs/dbraw/zinc/98/58/91/988985891.db2.gz LSESMTTZFJGJQA-SCLBCKFNSA-N -1 0 386.445 0.841 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CC(O)(C(=O)[O-])C3)CCC2)C1 ZINC001590015861 988990300 /nfs/dbraw/zinc/99/03/00/988990300.db2.gz RSUPSMZZIKXKEX-LJQANCHMSA-N -1 0 398.456 0.577 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC(Oc3ccccc3)CC2)C[C@@H](C(=O)[O-])O1 ZINC001599849560 988990587 /nfs/dbraw/zinc/99/05/87/988990587.db2.gz OOKVDTGBBTUALZ-CJNGLKHVSA-N -1 0 376.409 0.757 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C[C@H]1CC(=O)[O-] ZINC001599849754 988992375 /nfs/dbraw/zinc/99/23/75/988992375.db2.gz ROKFMGKZIWOQLC-XWIASGKRSA-N -1 0 380.363 0.717 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001599849751 988992873 /nfs/dbraw/zinc/99/28/73/988992873.db2.gz RNLQRMUCPNNIHS-JHJVBQTASA-N -1 0 383.445 0.633 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2[C@@H](O)c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599849926 988995561 /nfs/dbraw/zinc/99/55/61/988995561.db2.gz GQPBCHKKKGMWAF-OEAJRASXSA-N -1 0 376.409 0.412 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(N)=NO[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001590017754 988997216 /nfs/dbraw/zinc/99/72/16/988997216.db2.gz CWHOAFYBVCONPA-NEPJUHHUSA-N -1 0 384.433 0.960 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)C[C@@H](C(=O)[O-])O1 ZINC001599850058 988997686 /nfs/dbraw/zinc/99/76/86/988997686.db2.gz WLRZWAWJVIHFRD-UTLUCORTSA-N -1 0 382.335 0.255 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1 ZINC001590018099 988999270 /nfs/dbraw/zinc/99/92/70/988999270.db2.gz HIYWVBRJSVKDKF-JHJVBQTASA-N -1 0 392.474 0.795 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC001590018255 989000216 /nfs/dbraw/zinc/00/02/16/989000216.db2.gz JOJORRMFDYWEQW-LASWEOPPSA-N -1 0 381.429 0.578 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001590018301 989000646 /nfs/dbraw/zinc/00/06/46/989000646.db2.gz KHNUKLZCZJLACA-FRRDWIJNSA-N -1 0 383.445 0.872 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@H]1C(=O)[O-] ZINC001599850641 989006116 /nfs/dbraw/zinc/00/61/16/989006116.db2.gz DYIXQMQIJHTKBS-BXUZGUMPSA-N -1 0 377.397 0.180 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC001599850667 989006513 /nfs/dbraw/zinc/00/65/13/989006513.db2.gz FJFHFWJICBTZCK-DGCLKSJQSA-N -1 0 377.397 0.180 20 0 GCADRM CCc1nn(C)cc1S(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001597723612 989010970 /nfs/dbraw/zinc/01/09/70/989010970.db2.gz OKJCBHZLIJMIIU-NSHDSACASA-N -1 0 398.466 0.826 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)C[C@H]1CC(=O)[O-] ZINC001599851075 989013413 /nfs/dbraw/zinc/01/34/13/989013413.db2.gz MZCCCGSWXKVDOP-MGPQQGTHSA-N -1 0 376.409 0.902 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N[C@@](C)(CO)C(=O)[O-])=NO2)C1 ZINC001590025906 989021794 /nfs/dbraw/zinc/02/17/94/989021794.db2.gz NIQPREFNZWPGSV-IRXDYDNUSA-N -1 0 385.417 0.484 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N[C@](C)(CO)C(=O)[O-])=NO2)C1 ZINC001590025907 989021813 /nfs/dbraw/zinc/02/18/13/989021813.db2.gz NIQPREFNZWPGSV-SJORKVTESA-N -1 0 385.417 0.484 20 0 GCADRM C[C@@H]1CN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)C[C@@H](C(=O)[O-])O1 ZINC001599852794 989039831 /nfs/dbraw/zinc/03/98/31/989039831.db2.gz CKDJZOMSYSJYRM-OLZOCXBDSA-N -1 0 398.456 0.839 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CCN2C(=O)CCC2=O)[C@H](C(=O)[O-])C1 ZINC001590032316 989041087 /nfs/dbraw/zinc/04/10/87/989041087.db2.gz YBVXTOUQRGMDAH-LBPRGKRZSA-N -1 0 397.428 0.448 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(CC(=O)NC[C@@H]2CCCO2)[C@H](C(=O)[O-])C1 ZINC001590034426 989046576 /nfs/dbraw/zinc/04/65/76/989046576.db2.gz FIVVXXDWJAPMLX-KBPBESRZSA-N -1 0 385.461 0.678 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CN2CCCCC2=O)[C@@H](C(=O)[O-])C1 ZINC001590034987 989054363 /nfs/dbraw/zinc/05/43/63/989054363.db2.gz OHLRRPUWELHOTQ-CYBMUJFWSA-N -1 0 383.445 0.922 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](C(=O)[O-])C1 ZINC001590036015 989065104 /nfs/dbraw/zinc/06/51/04/989065104.db2.gz KTUDXBOOTXVYPB-OLZOCXBDSA-N -1 0 392.474 0.749 20 0 GCADRM 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CS(=O)(=O)NC[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599758866 992092842 /nfs/dbraw/zinc/09/28/42/992092842.db2.gz ZNNKEWINQIMBIM-GFCCVEGCSA-N -1 0 394.453 0.937 20 0 GCADRM CS(=O)(=O)NCCC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001599758900 992092976 /nfs/dbraw/zinc/09/29/76/992092976.db2.gz ABHZTWZFKDRUIS-UHFFFAOYSA-N -1 0 393.259 0.802 20 0 GCADRM CS(=O)(=O)NCC1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001599759214 992097528 /nfs/dbraw/zinc/09/75/28/992097528.db2.gz LIJCBCLXQHVHKX-UHFFFAOYSA-N -1 0 375.472 0.917 20 0 GCADRM CS(=O)(=O)NCCC(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001599759408 992099582 /nfs/dbraw/zinc/09/95/82/992099582.db2.gz SPIRDMUCEAIGJL-SECBINFHSA-N -1 0 382.360 0.545 20 0 GCADRM CS(=O)(=O)NC[C@H]1COCCN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001599759371 992099784 /nfs/dbraw/zinc/09/97/84/992099784.db2.gz QVTSCUGXRNZTJL-JTQLQIEISA-N -1 0 391.833 0.820 20 0 GCADRM CS(=O)(=O)Nc1cc(F)ccc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001599759880 992105688 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389.408 0.064 20 0 GCADRM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001598671911 994771377 /nfs/dbraw/zinc/77/13/77/994771377.db2.gz TYVVTQZSFHEILI-LLVKDONJSA-N -1 0 394.446 0.155 20 0 GCADRM CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001598672097 994774864 /nfs/dbraw/zinc/77/48/64/994774864.db2.gz XTZCKKYXBUABJD-UHFFFAOYSA-N -1 0 386.430 0.444 20 0 GCADRM CNS(=O)(=O)CCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001598672218 994776858 /nfs/dbraw/zinc/77/68/58/994776858.db2.gz OQZRDEWHGIGDLY-UHFFFAOYSA-N -1 0 388.826 0.395 20 0 GCADRM CNS(=O)(=O)CCC(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001598672332 994777918 /nfs/dbraw/zinc/77/79/18/994777918.db2.gz YVYQAQSSFBIGGE-SECBINFHSA-N -1 0 376.412 0.034 20 0 GCADRM COc1cccc(C[C@H](NC(=O)CCC(=O)N2CCC(O)CC2)C(=O)[O-])c1 ZINC001599669052 994779414 /nfs/dbraw/zinc/77/94/14/994779414.db2.gz NRNSWBPZDMVPBG-INIZCTEOSA-N -1 0 378.425 0.571 20 0 GCADRM CNS(=O)(=O)CCNC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001598672441 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COC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)C1=O ZINC001598790168 996065229 /nfs/dbraw/zinc/06/52/29/996065229.db2.gz OVSQDMOTIIIRJG-HUUCEWRRSA-N -1 0 376.409 0.691 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[C@H](C(=O)[O-])C1 ZINC001598790650 996069758 /nfs/dbraw/zinc/06/97/58/996069758.db2.gz FOLJBXLFRNBVPD-IPYPFGDCSA-N -1 0 389.408 0.295 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC001598791446 996076667 /nfs/dbraw/zinc/07/66/67/996076667.db2.gz AGOXSJJOWRLJHO-VXGBXAGGSA-N -1 0 384.410 0.121 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)c2cnc3sc(C)cn3c2=O)[C@H](C(=O)[O-])C1 ZINC001598792234 996083259 /nfs/dbraw/zinc/08/32/59/996083259.db2.gz CVTLIIHTPVESND-ONGXEEELSA-N -1 0 379.394 0.543 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)[C@H](C(=O)[O-])C1 ZINC001598792235 996083443 /nfs/dbraw/zinc/08/34/43/996083443.db2.gz MDHLFPGHGAWUOB-JSGCOSHPSA-N -1 0 389.412 0.539 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001598792560 996085642 /nfs/dbraw/zinc/08/56/42/996085642.db2.gz MRNALXPJOIPSTL-MRVWCRGKSA-N -1 0 395.433 0.812 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001598792558 996085673 /nfs/dbraw/zinc/08/56/73/996085673.db2.gz MRNALXPJOIPSTL-KWCYVHTRSA-N -1 0 395.433 0.812 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)CCN2CSCCSC2)[C@@H](C(=O)[O-])C1 ZINC001598792610 996086333 /nfs/dbraw/zinc/08/63/33/996086333.db2.gz NFIYVIWKGZAPCB-NWDGAFQWSA-N -1 0 376.500 0.938 20 0 GCADRM C[C@@H](Sc1nc(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cs1)C(N)=O ZINC001593678808 996095326 /nfs/dbraw/zinc/09/53/26/996095326.db2.gz ARUBANKYXAFVKN-SVRRBLITSA-N -1 0 379.410 0.972 20 0 GCADRM C[C@H](Sc1nc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cs1)C(N)=O ZINC001593679138 996097995 /nfs/dbraw/zinc/09/79/95/996097995.db2.gz FNTJOQJUOCWVBT-VIFPVBQESA-N -1 0 387.483 0.744 20 0 GCADRM C[C@@H](Sc1nc(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)cs1)C(N)=O 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0 388.428 0.812 20 0 GCADRM COC(=O)[C@@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]1C ZINC001598798647 996125560 /nfs/dbraw/zinc/12/55/60/996125560.db2.gz GBVSKYNFTLMDPZ-SMDDNHRTSA-N -1 0 375.381 0.994 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)[C@H](C(=O)[O-])C1 ZINC001598798985 996126236 /nfs/dbraw/zinc/12/62/36/996126236.db2.gz KKNARPMTVNVLRZ-YPMHNXCESA-N -1 0 395.389 0.820 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)[C@@H](C(=O)[O-])C1 ZINC001598798983 996126381 /nfs/dbraw/zinc/12/63/81/996126381.db2.gz KKNARPMTVNVLRZ-DGCLKSJQSA-N -1 0 395.389 0.820 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](C(=O)[O-])C1 ZINC001598799030 996126641 /nfs/dbraw/zinc/12/66/41/996126641.db2.gz LMYGMSCAXOUWOW-JOYOIKCWSA-N -1 0 398.393 0.044 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@H](C(=O)OC)C1 ZINC001598800514 996135678 /nfs/dbraw/zinc/13/56/78/996135678.db2.gz UTKNRNQVVLOHBY-OCCSQVGLSA-N -1 0 399.421 0.429 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2C)C[C@H]1C(=O)[O-] ZINC001598803194 996158626 /nfs/dbraw/zinc/15/86/26/996158626.db2.gz JMHFPOBJKKWVLS-HUUCEWRRSA-N -1 0 376.409 0.328 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC001598803231 996159429 /nfs/dbraw/zinc/15/94/29/996159429.db2.gz JWFABTWZEDAERC-CYBMUJFWSA-N -1 0 375.337 0.205 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598804541 996172280 /nfs/dbraw/zinc/17/22/80/996172280.db2.gz BBLFCAKYNJNRTB-TUAOUCFPSA-N -1 0 386.198 0.815 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598804789 996174655 /nfs/dbraw/zinc/17/46/55/996174655.db2.gz BNRABLBJWKLLQW-FVCCEPFGSA-N -1 0 384.429 0.964 20 0 GCADRM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001593700248 996175623 /nfs/dbraw/zinc/17/56/23/996175623.db2.gz ZYCZCSIJVDHVNQ-LLVKDONJSA-N -1 0 395.441 0.782 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598805153 996178104 /nfs/dbraw/zinc/17/81/04/996178104.db2.gz ZFBLNAKEWRZYNW-LSDHHAIUSA-N -1 0 376.409 0.410 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598805497 996181790 /nfs/dbraw/zinc/18/17/90/996181790.db2.gz DLACJFABWVLHNT-FPMFFAJLSA-N -1 0 392.383 0.819 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598805447 996181853 /nfs/dbraw/zinc/18/18/53/996181853.db2.gz CGPGJHYAHVJXOR-ZIAGYGMSSA-N -1 0 383.445 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805596 996183243 /nfs/dbraw/zinc/18/32/43/996183243.db2.gz FDNBOVJUJUTHFH-OAGGEKHMSA-N -1 0 388.420 0.552 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598805971 996186702 /nfs/dbraw/zinc/18/67/02/996186702.db2.gz GCVPHSMVYVORSP-XHSDSOJGSA-N -1 0 375.425 0.768 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598805967 996186875 /nfs/dbraw/zinc/18/68/75/996186875.db2.gz GCVPHSMVYVORSP-BZUAXINKSA-N -1 0 375.425 0.768 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC001598805948 996186927 /nfs/dbraw/zinc/18/69/27/996186927.db2.gz GBMXGYCRTYACOB-NWANDNLSSA-N -1 0 395.456 0.683 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCc2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598806086 996188072 /nfs/dbraw/zinc/18/80/72/996188072.db2.gz BJUHINWNWPEQAM-KBPBESRZSA-N -1 0 392.408 0.906 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)C[C@@H]1C(=O)[O-] ZINC001598806373 996190621 /nfs/dbraw/zinc/19/06/21/996190621.db2.gz HDIGAQHKTXGXAS-MISXGVKJSA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598806486 996192094 /nfs/dbraw/zinc/19/20/94/996192094.db2.gz GHRNSCUKKRWWRW-XQQFMLRXSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@H]1C(=O)OC ZINC001598806600 996193003 /nfs/dbraw/zinc/19/30/03/996193003.db2.gz HJGSAFDSXBWCGY-IYBSVWSJSA-N -1 0 398.412 0.002 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)C[C@H]1C(=O)[O-] ZINC001598806947 996196005 /nfs/dbraw/zinc/19/60/05/996196005.db2.gz JHPHUEUGBGPEMO-IJLUTSLNSA-N -1 0 398.437 0.463 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C[C@H]1C(=O)[O-] ZINC001598806937 996196400 /nfs/dbraw/zinc/19/64/00/996196400.db2.gz JBIYKLXIYRJZLZ-KKFJDGPESA-N -1 0 382.319 0.790 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807229 996198440 /nfs/dbraw/zinc/19/84/40/996198440.db2.gz HVRYZVGWTCURQX-QWRGUYRKSA-N -1 0 385.417 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C[C@@H]1C(=O)[O-] ZINC001598807336 996199644 /nfs/dbraw/zinc/19/96/44/996199644.db2.gz LYGQBSBRDIGMAU-OWCLPIDISA-N -1 0 388.420 0.676 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCOc2ccccc2OC)C[C@H]1C(=O)[O-] ZINC001598807464 996200330 /nfs/dbraw/zinc/20/03/30/996200330.db2.gz JCGJEJOUKPITDG-CHWSQXEVSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807492 996200962 /nfs/dbraw/zinc/20/09/62/996200962.db2.gz KBOOGJNCJHQWGK-RYUDHWBXSA-N -1 0 385.417 0.465 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598807488 996201054 /nfs/dbraw/zinc/20/10/54/996201054.db2.gz KBOOGJNCJHQWGK-NEPJUHHUSA-N -1 0 385.417 0.465 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)C[C@@H]1C(=O)[O-] ZINC001598807599 996201342 /nfs/dbraw/zinc/20/13/42/996201342.db2.gz BNJRIPPJGLYMCD-RRFJBIMHSA-N -1 0 389.408 0.475 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598807642 996202220 /nfs/dbraw/zinc/20/22/20/996202220.db2.gz MLKYBXZIQZCHKE-RVPKQNPDSA-N -1 0 388.392 0.668 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(=O)c2cccc(F)c2)C[C@@H]1C(=O)[O-] ZINC001598807736 996202694 /nfs/dbraw/zinc/20/26/94/996202694.db2.gz KCNSYAHYNTVSIC-UONOGXRCSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1C(=O)[O-] ZINC001598807956 996205120 /nfs/dbraw/zinc/20/51/20/996205120.db2.gz LXIUUOWDHAPWFB-HZSPNIEDSA-N -1 0 396.444 0.182 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncnc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808163 996206316 /nfs/dbraw/zinc/20/63/16/996206316.db2.gz OIFYMFRCVQOSFA-IIAWOOMASA-N -1 0 398.419 0.931 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598808150 996206465 /nfs/dbraw/zinc/20/64/65/996206465.db2.gz OCCNXNMHMNXSFA-AEJSXWLSSA-N -1 0 396.318 0.482 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](c2nccn2C)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598808368 996208107 /nfs/dbraw/zinc/20/81/07/996208107.db2.gz NIZJJAHBWLQNTR-DJLDLDEBSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(C(F)(F)F)cnn2C)C[C@@H]1C(=O)[O-] ZINC001598808476 996209245 /nfs/dbraw/zinc/20/92/45/996209245.db2.gz MGPNQEGBZQLMKN-JGVFFNPUSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(C(F)(F)F)cnn2C)C[C@H]1C(=O)[O-] ZINC001598808477 996209555 /nfs/dbraw/zinc/20/95/55/996209555.db2.gz MGPNQEGBZQLMKN-SFYZADRCSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808599 996210468 /nfs/dbraw/zinc/21/04/68/996210468.db2.gz FQNKNXVFOHLTLT-KBPBESRZSA-N -1 0 383.422 0.491 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2COc3cc(OC)ccc3C2)C[C@@H]1C(=O)[O-] ZINC001598808664 996211229 /nfs/dbraw/zinc/21/12/29/996211229.db2.gz ODGSXRYTWUYLLU-KWCYVHTRSA-N -1 0 378.381 0.514 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Cn3cccn3)c2)C[C@@H]1C(=O)[O-] ZINC001598808693 996211340 /nfs/dbraw/zinc/21/13/40/996211340.db2.gz NVUMSBCQQMEQAV-JKSUJKDBSA-N -1 0 386.408 0.947 20 0 GCADRM C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001593711188 996211813 /nfs/dbraw/zinc/21/18/13/996211813.db2.gz QXLCUELRPMVHHF-LBPRGKRZSA-N -1 0 387.392 0.862 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808795 996212536 /nfs/dbraw/zinc/21/25/36/996212536.db2.gz FZINHBUMJYSJLF-UONOGXRCSA-N -1 0 377.397 0.126 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)C[C@H]1C(=O)[O-] ZINC001598808918 996213333 /nfs/dbraw/zinc/21/33/33/996213333.db2.gz GKRKKZWIEQHXOL-RBSFLKMASA-N -1 0 390.392 0.902 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2COC3(CCCCCC3)O2)C[C@@H]1C(=O)[O-] ZINC001598809004 996213638 /nfs/dbraw/zinc/21/36/38/996213638.db2.gz OZBJWXHTZPHLTJ-HZSPNIEDSA-N -1 0 384.429 0.968 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C[C@@H]1C(=O)[O-] ZINC001598808938 996213940 /nfs/dbraw/zinc/21/39/40/996213940.db2.gz QKNGYRIOXACAKS-ARFHVFGLSA-N -1 0 388.420 0.818 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598808994 996213959 /nfs/dbraw/zinc/21/39/59/996213959.db2.gz QLADAVBPEBYSDL-HBNTYKKESA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c2ccc(F)cc2O1 ZINC001598809194 996215752 /nfs/dbraw/zinc/21/57/52/996215752.db2.gz GVZNUVPZMZODEE-FZMZJTMJSA-N -1 0 394.355 0.416 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H]1C(=O)[O-] ZINC001598809249 996216127 /nfs/dbraw/zinc/21/61/27/996216127.db2.gz HCDKHBLBQNPUJB-GHMZBOCLSA-N -1 0 396.783 0.398 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)Cc2cccc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598809280 996216281 /nfs/dbraw/zinc/21/62/81/996216281.db2.gz HIGXUHQOJZOSDT-SJORKVTESA-N -1 0 398.415 0.831 20 0 GCADRM C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001593712874 996216956 /nfs/dbraw/zinc/21/69/56/996216956.db2.gz GUVKCFKADYJLGE-VVFCZOMOSA-N -1 0 380.416 0.678 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccc(C3(C)OCCO3)cc2)C[C@@H]1C(=O)[O-] ZINC001598809361 996217306 /nfs/dbraw/zinc/21/73/06/996217306.db2.gz PZCYPUUEWRHAPA-LSDHHAIUSA-N -1 0 392.408 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C[C@H]1C(=O)[O-] ZINC001598809551 996218527 /nfs/dbraw/zinc/21/85/27/996218527.db2.gz IDXVTHGFRDGVLJ-KGLIPLIRSA-N -1 0 392.383 0.827 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598809569 996219050 /nfs/dbraw/zinc/21/90/50/996219050.db2.gz SOHBACOMKUEEAP-FIYWTHMPSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)C[C@@H]1C(=O)[O-] ZINC001598809629 996219254 /nfs/dbraw/zinc/21/92/54/996219254.db2.gz QUOITOMGNNJOEW-UWVGGRQHSA-N -1 0 389.330 0.723 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)C[C@@H]1C(=O)[O-] ZINC001598809723 996220420 /nfs/dbraw/zinc/22/04/20/996220420.db2.gz QTSYKEHBRBRHRO-NWDGAFQWSA-N -1 0 381.360 0.071 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@@H]1C(=O)[O-] ZINC001598810032 996222932 /nfs/dbraw/zinc/22/29/32/996222932.db2.gz SRAODSNPYMSVGN-VHSXEESVSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598810160 996224392 /nfs/dbraw/zinc/22/43/92/996224392.db2.gz VFLLDESPHIIYDI-NILFDRSVSA-N -1 0 392.383 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCOc2cccc(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598810218 996224924 /nfs/dbraw/zinc/22/49/24/996224924.db2.gz SOJBCDQJDSBBMR-LSDHHAIUSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598810277 996225511 /nfs/dbraw/zinc/22/55/11/996225511.db2.gz SUSASZGKKUFPAY-RYUDHWBXSA-N -1 0 390.458 0.249 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598810313 996225733 /nfs/dbraw/zinc/22/57/33/996225733.db2.gz WBEBMHSQRJRTSY-ZMLRMANQSA-N -1 0 396.346 0.650 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[C@H]2COc3ccccc3O2)C[C@H]1C(=O)[O-] ZINC001598810645 996228510 /nfs/dbraw/zinc/22/85/10/996228510.db2.gz UVQDHNHFTMAVGK-YNEHKIRRSA-N -1 0 378.381 0.732 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)C[C@H]1C(=O)[O-] ZINC001598810685 996229156 /nfs/dbraw/zinc/22/91/56/996229156.db2.gz XBRMDLCUSJLTOF-RBSFLKMASA-N -1 0 389.408 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCc3ccccc3NC2=O)C[C@H]1C(=O)[O-] ZINC001598811163 996232708 /nfs/dbraw/zinc/23/27/08/996232708.db2.gz XFBKCKPMWMEQEV-BZPMIXESSA-N -1 0 375.381 0.455 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCCN(C)C(=O)c2ccncc2)C[C@@H]1C(=O)[O-] ZINC001598811402 996234871 /nfs/dbraw/zinc/23/48/71/996234871.db2.gz NWNTUMBJQAYABF-KBPBESRZSA-N -1 0 377.397 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCN(C)C(=O)c2ccncc2)C[C@H]1C(=O)[O-] ZINC001598811410 996235093 /nfs/dbraw/zinc/23/50/93/996235093.db2.gz NWNTUMBJQAYABF-ZIAGYGMSSA-N -1 0 377.397 0.266 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598811681 996237247 /nfs/dbraw/zinc/23/72/47/996237247.db2.gz BHXUFWKIMHWLOB-NEPJUHHUSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598812026 996239789 /nfs/dbraw/zinc/23/97/89/996239789.db2.gz YBXKNLYXJJRIIQ-RYUDHWBXSA-N -1 0 397.815 0.585 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC001598812024 996240194 /nfs/dbraw/zinc/24/01/94/996240194.db2.gz YBXKNLYXJJRIIQ-NWDGAFQWSA-N -1 0 397.815 0.585 20 0 GCADRM C[C@@H](c1cccnc1)N1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001593718810 996240209 /nfs/dbraw/zinc/24/02/09/996240209.db2.gz CFBNZMRRQXKJDJ-AWEZNQCLSA-N -1 0 377.445 0.451 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598812265 996241690 /nfs/dbraw/zinc/24/16/90/996241690.db2.gz ZQLUMEVUMKDMIH-GRYCIOLGSA-N -1 0 387.433 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C[C@H]1C(=O)[O-] ZINC001598812425 996242962 /nfs/dbraw/zinc/24/29/62/996242962.db2.gz ZFLFDKVPDUJKHF-ZIAGYGMSSA-N -1 0 377.397 0.404 20 0 GCADRM C[C@@H](c1cccnc1)N1C(=O)C[C@@H](N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719607 996244639 /nfs/dbraw/zinc/24/46/39/996244639.db2.gz PUEFYWPITLZYKB-BLLLJJGKSA-N -1 0 398.423 0.897 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C(=O)[O-] ZINC001598813257 996249084 /nfs/dbraw/zinc/24/90/84/996249084.db2.gz UHQRCARVWXXTLD-GJZGRUSLSA-N -1 0 386.408 0.759 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C[C@H]1C(=O)[O-] ZINC001598813508 996250859 /nfs/dbraw/zinc/25/08/59/996250859.db2.gz UZGWZKMLHHPBPZ-KGLIPLIRSA-N -1 0 399.421 0.191 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1CC(=O)NCCC(=O)[O-] ZINC001598813579 996251286 /nfs/dbraw/zinc/25/12/86/996251286.db2.gz HOTHCIILZROLKZ-LBPRGKRZSA-N -1 0 387.433 0.062 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC001598814099 996255197 /nfs/dbraw/zinc/25/51/97/996255197.db2.gz HWRNWLGUAXKILA-VOAKCMCISA-N -1 0 399.444 0.900 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@H]1C(=O)[O-] ZINC001598814141 996255237 /nfs/dbraw/zinc/25/52/37/996255237.db2.gz XMXIIHRKXJQYAM-ZIAGYGMSSA-N -1 0 394.449 0.999 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598814250 996256221 /nfs/dbraw/zinc/25/62/21/996256221.db2.gz BQGOYRSVXDZWHZ-WDEREUQCSA-N -1 0 395.799 0.815 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)C[C@@H]1C(=O)[O-] ZINC001598814707 996260229 /nfs/dbraw/zinc/26/02/29/996260229.db2.gz CSTVNCCNVABCFV-RYUDHWBXSA-N -1 0 378.381 0.983 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598814963 996262246 /nfs/dbraw/zinc/26/22/46/996262246.db2.gz NLOTZSGYNUEMLM-STQMWFEESA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)C[C@@H]1C(=O)[O-] ZINC001598815065 996262956 /nfs/dbraw/zinc/26/29/56/996262956.db2.gz FMGHFNIULGDWOL-RYUDHWBXSA-N -1 0 390.392 0.888 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@@H]1C(=O)[O-] ZINC001598815139 996263848 /nfs/dbraw/zinc/26/38/48/996263848.db2.gz KRBIDSHRJKBWNF-OBPIAQAESA-N -1 0 397.428 0.367 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC001598815241 996265206 /nfs/dbraw/zinc/26/52/06/996265206.db2.gz GJOAPFDHKDDSMJ-VXGBXAGGSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C(=O)[O-] ZINC001598815329 996265455 /nfs/dbraw/zinc/26/54/55/996265455.db2.gz OYKHOEPYGUMZME-ZIAGYGMSSA-N -1 0 375.381 0.916 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598815339 996265604 /nfs/dbraw/zinc/26/56/04/996265604.db2.gz OYURTHSIYAZZNT-LRBFIZQNSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598815521 996267291 /nfs/dbraw/zinc/26/72/91/996267291.db2.gz NFWBNMTZCBERGR-CHWSQXEVSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C[C@@H]1C(=O)[O-] ZINC001598815520 996267315 /nfs/dbraw/zinc/26/73/15/996267315.db2.gz NFASXRLUWJAAJP-STQMWFEESA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)cn2)C[C@H]1C(=O)[O-] ZINC001598815517 996267675 /nfs/dbraw/zinc/26/76/75/996267675.db2.gz NFASXRLUWJAAJP-CHWSQXEVSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598815940 996270890 /nfs/dbraw/zinc/27/08/90/996270890.db2.gz QLADAVBPEBYSDL-OUAUKWLOSA-N -1 0 388.442 0.629 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC001598816622 996277441 /nfs/dbraw/zinc/27/74/41/996277441.db2.gz SPPROFMPVWQLPS-KGLIPLIRSA-N -1 0 387.396 0.858 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C(=O)[O-])on1 ZINC001598817144 996282527 /nfs/dbraw/zinc/28/25/27/996282527.db2.gz VQDHLPOCSWKTIN-NSHDSACASA-N -1 0 397.384 0.997 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2Cn2cccn2)C[C@@H]1C(=O)[O-] ZINC001598817195 996283129 /nfs/dbraw/zinc/28/31/29/996283129.db2.gz SXRNSFRKWQBIRM-JKSUJKDBSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598817501 996286353 /nfs/dbraw/zinc/28/63/53/996286353.db2.gz USOYEQZDONEYQS-VXGBXAGGSA-N -1 0 399.425 0.704 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1C(=O)[O-] ZINC001598818386 996296832 /nfs/dbraw/zinc/29/68/32/996296832.db2.gz XYPCVTYXTHSSLB-GHMZBOCLSA-N -1 0 379.344 0.449 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598818639 996299536 /nfs/dbraw/zinc/29/95/36/996299536.db2.gz YUQCEJRLQXVDFF-GJZGRUSLSA-N -1 0 391.424 0.538 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598819462 996307811 /nfs/dbraw/zinc/30/78/11/996307811.db2.gz OTUMVHODRIHJAK-JTQLQIEISA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819526 996309277 /nfs/dbraw/zinc/30/92/77/996309277.db2.gz DSKMLMKFEGPUAH-IACUBPJLSA-N -1 0 375.381 0.607 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598820378 996319227 /nfs/dbraw/zinc/31/92/27/996319227.db2.gz WRPIAYPDUUACIP-GJZGRUSLSA-N -1 0 390.392 0.105 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598820859 996324712 /nfs/dbraw/zinc/32/47/12/996324712.db2.gz VDTQVWIAMTYOAU-OPQQBVKSSA-N -1 0 382.319 0.402 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnc(F)c(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598821485 996332528 /nfs/dbraw/zinc/33/25/28/996332528.db2.gz KAKYDFGNCRISQE-YUMQZZPRSA-N -1 0 375.150 0.929 20 0 GCADRM C[C@H](c1nccs1)N1CCN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC001593737296 996334424 /nfs/dbraw/zinc/33/44/24/996334424.db2.gz MPQAHWLZZHRZSN-SJKOYZFVSA-N -1 0 380.470 0.672 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)C[C@H]1C(=O)[O-] ZINC001598821781 996336043 /nfs/dbraw/zinc/33/60/43/996336043.db2.gz LYBSMGPGNFZLHP-SFYZADRCSA-N -1 0 386.286 0.923 20 0 GCADRM COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001598821860 996337660 /nfs/dbraw/zinc/33/76/60/996337660.db2.gz MSNMXWPZOLOWIE-ZIAGYGMSSA-N -1 0 389.408 0.323 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C[C@@H]1C(=O)[O-] ZINC001598821980 996338657 /nfs/dbraw/zinc/33/86/57/996338657.db2.gz NICGUNANOQSJHK-VHSXEESVSA-N -1 0 391.348 0.629 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)C[C@@H]1C(=O)[O-] ZINC001598822286 996341736 /nfs/dbraw/zinc/34/17/36/996341736.db2.gz PFBHDLFKPHTMGB-YUMQZZPRSA-N -1 0 397.185 0.438 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001593738342 996346217 /nfs/dbraw/zinc/34/62/17/996346217.db2.gz ZTTHHGDNDLWOPI-LBPRGKRZSA-N -1 0 383.474 0.512 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001598822739 996347752 /nfs/dbraw/zinc/34/77/52/996347752.db2.gz SRJALQVUIUPSJI-KBPBESRZSA-N -1 0 398.437 0.319 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C[C@@H]1C(=O)[O-] ZINC001598822888 996349660 /nfs/dbraw/zinc/34/96/60/996349660.db2.gz UDKVWLHNXFTQSE-NWDGAFQWSA-N -1 0 376.344 0.661 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@@H]1C(=O)[O-] ZINC001598823373 996355277 /nfs/dbraw/zinc/35/52/77/996355277.db2.gz CFAMJGPEBDWYSN-STQMWFEESA-N -1 0 394.405 0.331 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@@H]1C(=O)[O-] ZINC001598823380 996355310 /nfs/dbraw/zinc/35/53/10/996355310.db2.gz CFWVVYHGEMABJN-RYUDHWBXSA-N -1 0 380.378 0.022 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598824023 996361557 /nfs/dbraw/zinc/36/15/57/996361557.db2.gz FTDDZZAFCMNVLF-TXEJJXNPSA-N -1 0 389.357 0.107 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@H]1C(=O)[O-] ZINC001598824026 996361964 /nfs/dbraw/zinc/36/19/64/996361964.db2.gz FTJIYUHCUSPHEA-OLZOCXBDSA-N -1 0 396.421 0.456 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C[C@H]1C(=O)[O-] ZINC001598824937 996371941 /nfs/dbraw/zinc/37/19/41/996371941.db2.gz IXVLQTDSSIEHCQ-OLZOCXBDSA-N -1 0 384.410 0.448 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598825731 996380202 /nfs/dbraw/zinc/38/02/02/996380202.db2.gz LGKHPZRFHRLXDW-BDAKNGLRSA-N -1 0 397.327 0.921 20 0 GCADRM C[C@@]1(C(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)[O-])CCNC1=O ZINC001593749206 996386077 /nfs/dbraw/zinc/38/60/77/996386077.db2.gz JWRBFNJVIUIJDB-IAQYHMDHSA-N -1 0 385.214 0.924 20 0 GCADRM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598826766 996391438 /nfs/dbraw/zinc/39/14/38/996391438.db2.gz WAFPWPYZRBZYAO-CQSZACIVSA-N -1 0 394.405 0.138 20 0 GCADRM C[C@@]1(C(=O)N[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)CCCS1(=O)=O ZINC001593749861 996391774 /nfs/dbraw/zinc/39/17/74/996391774.db2.gz UMGSASAQXZYIJU-DYVFJYSZSA-N -1 0 380.422 0.722 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC001598827047 996394199 /nfs/dbraw/zinc/39/41/99/996394199.db2.gz PBFFRMSGRXBPRO-GHMZBOCLSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001598827201 996395607 /nfs/dbraw/zinc/39/56/07/996395607.db2.gz ZMXQIJMPGTUJJL-ZDUSSCGKSA-N -1 0 399.421 0.179 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598827536 996399835 /nfs/dbraw/zinc/39/98/35/996399835.db2.gz NFZPVSLUCDOERE-MGPQQGTHSA-N -1 0 380.445 0.966 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598827723 996401101 /nfs/dbraw/zinc/40/11/01/996401101.db2.gz SBKFNRIDZUGBIX-OLZOCXBDSA-N -1 0 398.393 0.138 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598827692 996401369 /nfs/dbraw/zinc/40/13/69/996401369.db2.gz OAPCUUFUGKWIHC-IUCAKERBSA-N -1 0 378.790 0.238 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@H]1C(=O)[O-] ZINC001598827722 996401537 /nfs/dbraw/zinc/40/15/37/996401537.db2.gz SBKFNRIDZUGBIX-CHWSQXEVSA-N -1 0 398.393 0.138 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C3CCC3)n2C[C@@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001598827911 996404063 /nfs/dbraw/zinc/40/40/63/996404063.db2.gz OLELRQRGGBSLNL-IACUBPJLSA-N -1 0 378.429 0.892 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C[C@@H]1C(=O)[O-] ZINC001598828098 996406200 /nfs/dbraw/zinc/40/62/00/996406200.db2.gz VRACGOLBVXLIJR-QWRGUYRKSA-N -1 0 388.373 0.278 20 0 GCADRM C[C@]1(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CCC(=O)NC1 ZINC001593756451 996408627 /nfs/dbraw/zinc/40/86/27/996408627.db2.gz RGYFQOTZVDJSCK-KRWDZBQOSA-N -1 0 382.438 0.219 20 0 GCADRM COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001598828396 996409615 /nfs/dbraw/zinc/40/96/15/996409615.db2.gz CARLVAQGQSEVPV-HUUCEWRRSA-N -1 0 390.392 0.142 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H](OC)C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598828738 996413281 /nfs/dbraw/zinc/41/32/81/996413281.db2.gz XMBBTEFXJCOEMP-MJBXVCDLSA-N -1 0 377.459 0.717 20 0 GCADRM COC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598828826 996414007 /nfs/dbraw/zinc/41/40/07/996414007.db2.gz SNRONYUVYFQJEU-HUUCEWRRSA-N -1 0 382.438 0.781 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC001598829277 996418196 /nfs/dbraw/zinc/41/81/96/996418196.db2.gz ULLDTDZUFMJNCL-BQBZGAKWSA-N -1 0 383.209 0.883 20 0 GCADRM COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC(=O)NCC(=O)[O-] ZINC001598829348 996418891 /nfs/dbraw/zinc/41/88/91/996418891.db2.gz IDWCTUJDNCWJCQ-GFCCVEGCSA-N -1 0 385.214 0.550 20 0 GCADRM COC(=O)[C@H]1CN(c2ncccc2I)C[C@@H]1C(=O)[O-] ZINC001598829674 996422413 /nfs/dbraw/zinc/42/24/13/996422413.db2.gz VEJPNZPDPYOFKD-YUMQZZPRSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@H]1CN(c2ncccc2I)C[C@H]1C(=O)[O-] ZINC001598829651 996422621 /nfs/dbraw/zinc/42/26/21/996422621.db2.gz VEJPNZPDPYOFKD-SFYZADRCSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(CN2CCN(Cc3cccc(F)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598829938 996425879 /nfs/dbraw/zinc/42/58/79/996425879.db2.gz VKRSJRPHZLRIIZ-HUUCEWRRSA-N -1 0 379.388 0.826 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC001593762479 996431312 /nfs/dbraw/zinc/43/13/12/996431312.db2.gz MOGUVVFAQUIJKN-ACJLOTCBSA-N -1 0 375.429 0.275 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001593764596 996438750 /nfs/dbraw/zinc/43/87/50/996438750.db2.gz JRMLZYOOCJYUAF-KBXCAEBGSA-N -1 0 376.388 0.959 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598831201 996438708 /nfs/dbraw/zinc/43/87/08/996438708.db2.gz RGAGHKBRCNFKJR-AEFFLSMTSA-N -1 0 390.436 0.270 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC(F)(F)C[C@H]1C(=O)[O-] ZINC001598831268 996439505 /nfs/dbraw/zinc/43/95/05/996439505.db2.gz RYMMWDRWSPRALR-KBPBESRZSA-N -1 0 382.363 0.907 20 0 GCADRM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001598831665 996443520 /nfs/dbraw/zinc/44/35/20/996443520.db2.gz UVVCPLUWFHJTBP-HNNXBMFYSA-N -1 0 386.360 0.379 20 0 GCADRM COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1ccc(C(=O)[O-])n1C ZINC001598832581 996451920 /nfs/dbraw/zinc/45/19/20/996451920.db2.gz WLJZCPMCESFBHX-MDWZMJQESA-N -1 0 382.394 0.860 20 0 GCADRM COC(=O)C[C@](C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1cccnc1 ZINC001598833048 996456147 /nfs/dbraw/zinc/45/61/47/996456147.db2.gz JQVGDVWJBDUOKI-ACJLOTCBSA-N -1 0 377.397 0.299 20 0 GCADRM COC(=O)C[C@@](C)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccccn1 ZINC001598833450 996460318 /nfs/dbraw/zinc/46/03/18/996460318.db2.gz QFTOAQYZGPJWQA-KZULUSFZSA-N -1 0 377.397 0.299 20 0 GCADRM COC(=O)C[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])cn1C)c1cccnc1 ZINC001598833925 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ZINC001598977350 998615708 /nfs/dbraw/zinc/61/57/08/998615708.db2.gz DEEWIBRXXNVTSN-YGRLFVJLSA-N -1 0 376.365 0.747 20 0 GCADRM COC(=O)c1ccc(N2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)s1 ZINC001598977568 998618717 /nfs/dbraw/zinc/61/87/17/998618717.db2.gz JEBJQQIJVSMZRC-SNVBAGLBSA-N -1 0 376.456 0.707 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C[C@H](C)O)cc1C(=O)[O-] ZINC001598977778 998621283 /nfs/dbraw/zinc/62/12/83/998621283.db2.gz UNSYOQCYIVMMNI-JQWIXIFHSA-N -1 0 378.381 0.872 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](OC)C2)cc1C(=O)[O-] ZINC001598977793 998621634 /nfs/dbraw/zinc/62/16/34/998621634.db2.gz VIXATUBEUCCOSQ-IINYFYTJSA-N -1 0 378.381 0.993 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCOC[C@@H]2C)cc1C(=O)[O-] ZINC001598978218 998625988 /nfs/dbraw/zinc/62/59/88/998625988.db2.gz IRYQGLRMZKABAI-QWRGUYRKSA-N -1 0 378.381 0.899 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)NCCC2(C)OCCO2)cc1C(=O)[O-] ZINC001598978221 998626131 /nfs/dbraw/zinc/62/61/31/998626131.db2.gz 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COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)ncn2)c(C(=O)OC)s1 ZINC000543032385 531070389 /nfs/dbraw/zinc/07/03/89/531070389.db2.gz YCGFFYVXBOLJRE-UHFFFAOYSA-N -1 0 387.395 0.921 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC(F)F)n(C)n2)cnc1C ZINC000427333705 531070461 /nfs/dbraw/zinc/07/04/61/531070461.db2.gz BLTNORCUTIIZSQ-UHFFFAOYSA-N -1 0 376.341 1.312 20 0 GCADRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)no1 ZINC000349580699 531071009 /nfs/dbraw/zinc/07/10/09/531071009.db2.gz FALLMBXERXVNBF-UPJWGTAASA-N -1 0 393.487 0.744 20 0 GCADRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2cnc(C)o2)s1 ZINC000349574737 531071658 /nfs/dbraw/zinc/07/16/58/531071658.db2.gz NFQUMBHZGUQLKL-UHFFFAOYSA-N -1 0 394.500 0.999 20 0 GCADRM CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000262834595 531072530 /nfs/dbraw/zinc/07/25/30/531072530.db2.gz YGZOXWRLLNIVDJ-SNVBAGLBSA-N -1 0 384.332 0.843 20 0 GCADRM NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC000547891526 531105451 /nfs/dbraw/zinc/10/54/51/531105451.db2.gz YWCCKVOKLTYVOB-UHFFFAOYSA-N -1 0 384.435 0.440 20 0 GCADRM COC(=O)CC[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000547895742 531105484 /nfs/dbraw/zinc/10/54/84/531105484.db2.gz ZBAMVKLMKSUMAS-SECBINFHSA-N -1 0 377.346 0.297 20 0 GCADRM C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000547893661 531105560 /nfs/dbraw/zinc/10/55/60/531105560.db2.gz RCGITVBVSURPBX-CBAPKCEASA-N -1 0 394.858 0.741 20 0 GCADRM CCCN(C)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000547895436 531105620 /nfs/dbraw/zinc/10/56/20/531105620.db2.gz CNJPVUXPABBNKY-UHFFFAOYSA-N -1 0 376.479 0.107 20 0 GCADRM C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000547886875 531105702 /nfs/dbraw/zinc/10/57/02/531105702.db2.gz JYZMZVLCSGURHY-BXKDBHETSA-N -1 0 379.481 0.768 20 0 GCADRM COc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@H]2C)cc1C(=O)N(C)C ZINC000547887456 531105786 /nfs/dbraw/zinc/10/57/86/531105786.db2.gz SPQVCRNBOWZKCC-CABZTGNLSA-N -1 0 388.467 0.934 20 0 GCADRM CO[C@@H](CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)[O-] ZINC000547885728 531105825 /nfs/dbraw/zinc/10/58/25/531105825.db2.gz JDBOXLCQMSGWAV-NSHDSACASA-N -1 0 392.499 0.831 20 0 GCADRM NS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000547897323 531105833 /nfs/dbraw/zinc/10/58/33/531105833.db2.gz YZORNNXARPEQHL-UHFFFAOYSA-N -1 0 384.435 0.610 20 0 GCADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000547893662 531105921 /nfs/dbraw/zinc/10/59/21/531105921.db2.gz RCGITVBVSURPBX-IONNQARKSA-N -1 0 394.858 0.741 20 0 GCADRM CCCSC[C@@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)[O-] ZINC000547909930 531106188 /nfs/dbraw/zinc/10/61/88/531106188.db2.gz SGQKZNWWESMZMP-GFCCVEGCSA-N -1 0 385.471 0.752 20 0 GCADRM NS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccn2)c1 ZINC000547905191 531106256 /nfs/dbraw/zinc/10/62/56/531106256.db2.gz FJIRPUSWIKXWII-UHFFFAOYSA-N -1 0 385.423 0.005 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N(CCO)[C@@H](C)CC(=O)[O-])ccc1OC ZINC000547906708 531106399 /nfs/dbraw/zinc/10/63/99/531106399.db2.gz UFLZZBZRNMTSGI-JTQLQIEISA-N -1 0 375.399 0.328 20 0 GCADRM CC[C@H](C)[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N(CCOC)CCOC ZINC000547903544 531106462 /nfs/dbraw/zinc/10/64/62/531106462.db2.gz ZCUJGCIPFOZIRR-AVGNSLFASA-N -1 0 384.520 0.700 20 0 GCADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@H]3C(=O)[O-])cc21 ZINC000547927570 531106817 /nfs/dbraw/zinc/10/68/17/531106817.db2.gz VRSDIBRNJXVMFM-FNODVLLQSA-N -1 0 386.451 0.123 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@H]1C(=O)[O-] ZINC000547916400 531106878 /nfs/dbraw/zinc/10/68/78/531106878.db2.gz VMVDVKFNNIDSGU-QPUJVOFHSA-N -1 0 380.419 0.681 20 0 GCADRM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667703371 531107031 /nfs/dbraw/zinc/10/70/31/531107031.db2.gz NJIYQJRPKYKKBS-SKDRFNHKSA-N -1 0 387.483 0.469 20 0 GCADRM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000667704551 531107151 /nfs/dbraw/zinc/10/71/51/531107151.db2.gz MJMDWDLHUYISJV-LBPRGKRZSA-N -1 0 387.483 0.327 20 0 GCADRM NS(=O)(=O)c1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 ZINC000667704299 531107296 /nfs/dbraw/zinc/10/72/96/531107296.db2.gz GJIZOIUKPWIAAI-LBPRGKRZSA-N -1 0 385.467 0.081 20 0 GCADRM CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000547930769 531107391 /nfs/dbraw/zinc/10/73/91/531107391.db2.gz MERFTBNJQMNAGP-UONOGXRCSA-N -1 0 390.483 0.198 20 0 GCADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000547930548 531107406 /nfs/dbraw/zinc/10/74/06/531107406.db2.gz OXAFHRONNFRIOZ-SPSFWMDKSA-N -1 0 377.488 0.362 20 0 GCADRM Cc1nc(-c2ccc(S(=O)(=O)N3CC[S@@](=O)C[C@@H]3C(=O)[O-])cc2)co1 ZINC000547929662 531107478 /nfs/dbraw/zinc/10/74/78/531107478.db2.gz ADZQYXSFFXKXCE-JBEBIEQOSA-N -1 0 384.435 0.856 20 0 GCADRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000547939174 531107890 /nfs/dbraw/zinc/10/78/90/531107890.db2.gz ZVXAMDOSOTVBDY-CYBMUJFWSA-N -1 0 376.456 0.469 20 0 GCADRM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCCO[C@@H]1CCCCO1 ZINC000615069927 531110180 /nfs/dbraw/zinc/11/01/80/531110180.db2.gz AZQNQLPOMKMBLR-CQSZACIVSA-N -1 0 378.397 0.903 20 0 GCADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548200843 531110466 /nfs/dbraw/zinc/11/04/66/531110466.db2.gz RIBGFGIKTGLIBN-MFKMUULPSA-N -1 0 377.440 0.248 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)o1 ZINC000548149938 531110551 /nfs/dbraw/zinc/11/05/51/531110551.db2.gz HPWROMYIXPCBSY-UHFFFAOYSA-N -1 0 389.407 0.633 20 0 GCADRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCOC1 ZINC000548200570 531110589 /nfs/dbraw/zinc/11/05/89/531110589.db2.gz LMDKBSAJVSHUHP-KWQFWETISA-N -1 0 384.332 0.791 20 0 GCADRM C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000548199342 531110718 /nfs/dbraw/zinc/11/07/18/531110718.db2.gz RPUOIABLGFHYLG-NSHDSACASA-N -1 0 376.456 0.470 20 0 GCADRM CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548200787 531110972 /nfs/dbraw/zinc/11/09/72/531110972.db2.gz RIBGFGIKTGLIBN-GWCFXTLKSA-N -1 0 377.440 0.248 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1Cl ZINC000548198082 531111022 /nfs/dbraw/zinc/11/10/22/531111022.db2.gz BDSIPILNCWKMKY-ZDUSSCGKSA-N -1 0 386.817 0.996 20 0 GCADRM CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000263247474 531111029 /nfs/dbraw/zinc/11/10/29/531111029.db2.gz PLOFGBAJPOQZEV-GHMZBOCLSA-N -1 0 380.344 0.930 20 0 GCADRM CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000548207626 531111695 /nfs/dbraw/zinc/11/16/95/531111695.db2.gz KWMPLXWBQCKXGL-CQSZACIVSA-N -1 0 385.419 0.900 20 0 GCADRM C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000548225634 531111813 /nfs/dbraw/zinc/11/18/13/531111813.db2.gz XMXYMHGQFKJZFN-OIBJUYFYSA-N -1 0 398.459 0.734 20 0 GCADRM CO[C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)[O-] ZINC000548226569 531111989 /nfs/dbraw/zinc/11/19/89/531111989.db2.gz SPAMRJQWCJQWTH-SNVBAGLBSA-N -1 0 396.215 0.598 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1F ZINC000548223720 531112164 /nfs/dbraw/zinc/11/21/64/531112164.db2.gz RFTRMALTJWPBPY-GFCCVEGCSA-N -1 0 398.434 0.355 20 0 GCADRM COc1cc(OC)c(S(=O)(=O)NC[C@@H](OC)C(=O)[O-])cc1Br ZINC000548222452 531112203 /nfs/dbraw/zinc/11/22/03/531112203.db2.gz NUVNXDUGWHGTJG-SNVBAGLBSA-N -1 0 398.231 0.844 20 0 GCADRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000548241809 531112376 /nfs/dbraw/zinc/11/23/76/531112376.db2.gz QBMREUXTXHCZLL-CQSZACIVSA-N -1 0 390.483 0.955 20 0 GCADRM C[C@@H]1CC[C@@](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)(CC(=O)[O-])C1 ZINC000548229038 531112459 /nfs/dbraw/zinc/11/24/59/531112459.db2.gz PDYUVFUZZVRKGC-ABAIWWIYSA-N -1 0 390.483 0.893 20 0 GCADRM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-] ZINC000548233458 531112764 /nfs/dbraw/zinc/11/27/64/531112764.db2.gz RTRJDEQJVKBVQK-GHMZBOCLSA-N -1 0 397.858 0.093 20 0 GCADRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548241801 531112791 /nfs/dbraw/zinc/11/27/91/531112791.db2.gz HRLZZWAMGSVUJH-LLVKDONJSA-N -1 0 390.483 0.859 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)[C@@H]1C(=O)[O-] ZINC000548248624 531113026 /nfs/dbraw/zinc/11/30/26/531113026.db2.gz IMQGXCMWTOYOAV-FZMZJTMJSA-N -1 0 388.467 0.710 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548257889 531113041 /nfs/dbraw/zinc/11/30/41/531113041.db2.gz FANZUSUYSCYFGH-SDWAUSNYSA-N -1 0 395.842 0.333 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1-c1ccno1 ZINC000548257794 531113060 /nfs/dbraw/zinc/11/30/60/531113060.db2.gz PSIKNRNXMLJEMY-LLVKDONJSA-N -1 0 386.407 0.214 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])c(C(=O)OC)s1 ZINC000548247290 531113072 /nfs/dbraw/zinc/11/30/72/531113072.db2.gz GZMKZMRFBFUHCK-GMSGAONNSA-N -1 0 391.423 0.805 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548257891 531113082 /nfs/dbraw/zinc/11/30/82/531113082.db2.gz FANZUSUYSCYFGH-WYVULQQZSA-N -1 0 395.842 0.333 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c(C(=O)OC)s1 ZINC000548247293 531113103 /nfs/dbraw/zinc/11/31/03/531113103.db2.gz GZMKZMRFBFUHCK-XVKPBYJWSA-N -1 0 391.423 0.805 20 0 GCADRM O=C([O-])[C@@H]1COCCN1S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000548247617 531113134 /nfs/dbraw/zinc/11/31/34/531113134.db2.gz RWJGAGXXKAEHFW-ZDUSSCGKSA-N -1 0 388.829 0.280 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)[O-] ZINC000548257890 531113249 /nfs/dbraw/zinc/11/32/49/531113249.db2.gz FANZUSUYSCYFGH-VCGICTTQSA-N -1 0 395.842 0.333 20 0 GCADRM Cc1c(Br)cccc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)[O-] ZINC000548258983 531113636 /nfs/dbraw/zinc/11/36/36/531113636.db2.gz ZAVZAWHUBBYFAD-SBKAZYGRSA-N -1 0 396.284 0.964 20 0 GCADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000548258182 531113677 /nfs/dbraw/zinc/11/36/77/531113677.db2.gz PLCWMEWNAURAQR-BSNNYGBQSA-N -1 0 395.842 0.333 20 0 GCADRM Cc1c(Br)cccc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)[O-] ZINC000548258985 531113814 /nfs/dbraw/zinc/11/38/14/531113814.db2.gz ZAVZAWHUBBYFAD-WVDJIFEKSA-N -1 0 396.284 0.964 20 0 GCADRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000548265368 531113864 /nfs/dbraw/zinc/11/38/64/531113864.db2.gz AQCFJUNQBZRWOI-JTQLQIEISA-N -1 0 378.472 0.892 20 0 GCADRM CC(C)n1ncc2cc(S(=O)(=O)N3CC[S@](=O)C[C@@H]3C(=O)[O-])ccc21 ZINC000548258286 531113887 /nfs/dbraw/zinc/11/38/87/531113887.db2.gz WTIOCTLSMNTACZ-SHACYNPGSA-N -1 0 385.467 0.823 20 0 GCADRM O=C(NCc1nnn[n-]1)C(=O)Nc1ccc2nccnc2c1Br ZINC000672917975 531115112 /nfs/dbraw/zinc/11/51/12/531115112.db2.gz DKFZTCRGGTUUHJ-UHFFFAOYSA-N -1 0 377.162 0.160 20 0 GCADRM O=C(NCc1nnn[n-]1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000672917966 531115162 /nfs/dbraw/zinc/11/51/62/531115162.db2.gz BPBUWXCOIPOLIE-UHFFFAOYSA-N -1 0 376.174 0.765 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000263263692 531115275 /nfs/dbraw/zinc/11/52/75/531115275.db2.gz NANILNQKFPMVEQ-UHFFFAOYSA-N -1 0 387.186 0.953 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)oc2C)ccc1[O-] ZINC000673448257 531117356 /nfs/dbraw/zinc/11/73/56/531117356.db2.gz YZHPXDDVCFEJNO-UHFFFAOYSA-N -1 0 389.411 0.101 20 0 GCADRM COc1ncnc([N-]S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)c1OC ZINC000548473725 531117398 /nfs/dbraw/zinc/11/73/98/531117398.db2.gz YCRDMNLPZGVFHP-UHFFFAOYSA-N -1 0 388.427 0.666 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)NCCc2nc(CC(=O)[O-])cs2)cn1C ZINC000548528935 531118071 /nfs/dbraw/zinc/11/80/71/531118071.db2.gz IIJORQQEFMHYEP-UHFFFAOYSA-N -1 0 387.439 0.416 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc1C(=O)N(C)C ZINC000548530477 531118138 /nfs/dbraw/zinc/11/81/38/531118138.db2.gz MVNUNBZEKITNRN-GFCCVEGCSA-N -1 0 390.483 0.882 20 0 GCADRM C[C@H](CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548545293 531118425 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381.410 0.098 20 0 GCADRM NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000819117067 597522038 /nfs/dbraw/zinc/52/20/38/597522038.db2.gz VHBCELRBGWZUPM-CYBMUJFWSA-N -1 0 388.424 0.260 20 0 GCADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000819219569 597522852 /nfs/dbraw/zinc/52/28/52/597522852.db2.gz JZPLXCUQJKHORX-LBPRGKRZSA-N -1 0 375.381 0.031 20 0 GCADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cn2)C[C@@H](C)O1 ZINC000818113577 597523191 /nfs/dbraw/zinc/52/31/91/597523191.db2.gz QEXYLIGFJOLSSV-JHJVBQTASA-N -1 0 376.413 0.567 20 0 GCADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000422656517 597523476 /nfs/dbraw/zinc/52/34/76/597523476.db2.gz XWSKUGGWQVSUIB-IUODEOHRSA-N -1 0 389.408 0.240 20 0 GCADRM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000819214712 597523729 /nfs/dbraw/zinc/52/37/29/597523729.db2.gz LWSKPDQLALBUMJ-QMMMGPOBSA-N -1 0 376.337 0.555 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820503796 597612382 /nfs/dbraw/zinc/61/23/82/597612382.db2.gz CBKLICPWSOSQSU-UHFFFAOYSA-N -1 0 377.426 0.511 20 0 GCADRM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000820503923 597612388 /nfs/dbraw/zinc/61/23/88/597612388.db2.gz JHIPFWWHCJLVLV-UHFFFAOYSA-N -1 0 377.426 0.511 20 0 GCADRM O=C([O-])CCCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000821519055 597666492 /nfs/dbraw/zinc/66/64/92/597666492.db2.gz OBZFXKHJSIWRKW-CYBMUJFWSA-N -1 0 377.463 0.077 20 0 GCADRM CC(=O)NCCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](C)C(=O)[O-] ZINC000819780832 597679483 /nfs/dbraw/zinc/67/94/83/597679483.db2.gz MPYGIHDLEYYNGB-GFCCVEGCSA-N -1 0 387.458 0.475 20 0 GCADRM CC(=O)NCCN(C(=O)CN1c2ccccc2O[C@@H](C)C1=O)[C@H](C)C(=O)[O-] ZINC000262150964 597683501 /nfs/dbraw/zinc/68/35/01/597683501.db2.gz ARFZZUPRUBURLH-NEPJUHHUSA-N -1 0 377.397 0.238 20 0 GCADRM COc1ccccc1N1C[C@@H](C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])CC1=O ZINC000262203262 597683529 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COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000737712698 599854216 /nfs/dbraw/zinc/85/42/16/599854216.db2.gz DQMCFUFQEDZEMZ-ZETCQYMHSA-N -1 0 397.452 0.041 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)OC)CC2)c(C(=O)[O-])s1 ZINC000737674152 599854275 /nfs/dbraw/zinc/85/42/75/599854275.db2.gz IMVHLKMOZMEHGV-UHFFFAOYSA-N -1 0 391.423 0.807 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C(=O)[O-])s1 ZINC000737680399 599854291 /nfs/dbraw/zinc/85/42/91/599854291.db2.gz ISJPIISWICBZGE-GFCCVEGCSA-N -1 0 397.452 0.088 20 0 GCADRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)C1 ZINC000261730307 599854536 /nfs/dbraw/zinc/85/45/36/599854536.db2.gz FUVHHHQEOCQQGY-CHWSQXEVSA-N -1 0 384.458 0.360 20 0 GCADRM CCCN(CC(=O)NC)S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737007699 599854645 /nfs/dbraw/zinc/85/46/45/599854645.db2.gz MDSRIZHBIAALKY-UHFFFAOYSA-N -1 0 378.428 0.380 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](NC(C)=O)C2)c(C(=O)[O-])s1 ZINC000737676623 599854935 /nfs/dbraw/zinc/85/49/35/599854935.db2.gz ZZASROLMJQXRKH-VIFPVBQESA-N -1 0 390.439 0.522 20 0 GCADRM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000737717401 599855499 /nfs/dbraw/zinc/85/54/99/599855499.db2.gz LSDNXOPHQANQAQ-UHFFFAOYSA-N -1 0 376.456 0.948 20 0 GCADRM CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000737291843 599855670 /nfs/dbraw/zinc/85/56/70/599855670.db2.gz HIDXSJLQXMOQBS-MRXNPFEDSA-N -1 0 395.415 0.995 20 0 GCADRM CN1C[C@H](NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CC1=O ZINC000315020544 599855743 /nfs/dbraw/zinc/85/57/43/599855743.db2.gz VALNRQKSTZIVDK-SSDOTTSWSA-N -1 0 377.216 0.656 20 0 GCADRM COc1ccc([C@@H](NCC(=O)Nc2cccc(S(N)(=O)=O)c2)C(=O)[O-])cc1 ZINC000737967862 599857001 /nfs/dbraw/zinc/85/70/01/599857001.db2.gz AANOILRXGHYJOM-MRXNPFEDSA-N -1 0 393.421 0.697 20 0 GCADRM COc1ccc([C@H](NCC(=O)N2CCN(c3cnccn3)CC2)C(=O)[O-])cc1 ZINC000737968055 599857610 /nfs/dbraw/zinc/85/76/10/599857610.db2.gz BMRZLKUVIMSGNA-SFHVURJKSA-N -1 0 385.424 0.549 20 0 GCADRM Cn1c2[nH]c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000262934087 599859851 /nfs/dbraw/zinc/85/98/51/599859851.db2.gz YDASCVMQRCAJRR-NSHDSACASA-N -1 0 385.380 0.107 20 0 GCADRM COC(=O)c1sc(N)c(C(=O)[O-])c1COC(=O)C1(C(=O)NC2CC2)CC1 ZINC000737717092 599860779 /nfs/dbraw/zinc/86/07/79/599860779.db2.gz HUKAKSKQQYOFRH-UHFFFAOYSA-N -1 0 382.394 0.917 20 0 GCADRM CCOC(=O)C1=C(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)NC(=O)N[C@H]1C ZINC000737135882 599861110 /nfs/dbraw/zinc/86/11/10/599861110.db2.gz YUVJUZVSADHKKA-BONVTDFDSA-N -1 0 377.397 0.929 20 0 GCADRM CCOC(=O)C1=C(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)NC(=O)N[C@@H]1C ZINC000737135880 599861133 /nfs/dbraw/zinc/86/11/33/599861133.db2.gz YUVJUZVSADHKKA-BMIGLBTASA-N -1 0 377.397 0.929 20 0 GCADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000736332750 599862385 /nfs/dbraw/zinc/86/23/85/599862385.db2.gz LLPCFHKNJJFTKC-UHFFFAOYSA-N -1 0 377.397 0.784 20 0 GCADRM CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C(C)(C)NC(=O)[O-])C2=O ZINC000736772793 599865450 /nfs/dbraw/zinc/86/54/50/599865450.db2.gz JDASUEYQKAPGMQ-UHFFFAOYSA-N -1 0 384.389 0.108 20 0 GCADRM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCCN3CCOC3=O)cc2)[nH]1 ZINC000739877094 599870021 /nfs/dbraw/zinc/87/00/21/599870021.db2.gz KOCVXRSJPHWWIJ-UHFFFAOYSA-N -1 0 388.380 0.365 20 0 GCADRM COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000737747411 599874455 /nfs/dbraw/zinc/87/44/55/599874455.db2.gz MQZIEFJUWBZZTM-SNVBAGLBSA-N -1 0 380.444 0.216 20 0 GCADRM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000013183313 599874970 /nfs/dbraw/zinc/87/49/70/599874970.db2.gz SHKJCVNRYNRUOU-UHFFFAOYSA-N -1 0 389.389 0.796 20 0 GCADRM CCN(C(=O)[C@H](C)OC(=O)CCCN(C)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000737051281 599875056 /nfs/dbraw/zinc/87/50/56/599875056.db2.gz PZPCNNKFQMOJRD-RYUDHWBXSA-N -1 0 378.447 0.344 20 0 GCADRM CN(CC(N)=O)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000737407556 599876963 /nfs/dbraw/zinc/87/69/63/599876963.db2.gz BSUJTWRTSDMAGO-UHFFFAOYSA-N -1 0 385.623 0.907 20 0 GCADRM CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000738158476 599879321 /nfs/dbraw/zinc/87/93/21/599879321.db2.gz RHCYIYSVTUJYDU-AWEZNQCLSA-N -1 0 397.453 0.183 20 0 GCADRM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736823194 599881472 /nfs/dbraw/zinc/88/14/72/599881472.db2.gz VXNVIOCTWCYLLZ-CYBMUJFWSA-N -1 0 379.413 0.316 20 0 GCADRM C[C@H](c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1)N1CCOCC1 ZINC000736717373 599881520 /nfs/dbraw/zinc/88/15/20/599881520.db2.gz MWOBQNDLYOGMMB-CZUORRHYSA-N -1 0 391.424 0.330 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000643443246 599881550 /nfs/dbraw/zinc/88/15/50/599881550.db2.gz FOAWVFLDSGMQGG-MRXNPFEDSA-N -1 0 385.376 0.911 20 0 GCADRM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736686558 599882304 /nfs/dbraw/zinc/88/23/04/599882304.db2.gz TVPMSYQPFOTNLF-JTQLQIEISA-N -1 0 383.378 0.994 20 0 GCADRM NS(=O)(=O)c1ccc(CC(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738446746 599884720 /nfs/dbraw/zinc/88/47/20/599884720.db2.gz PDPNHHJSLIAAEQ-UHFFFAOYSA-N -1 0 392.389 0.757 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000736881470 599885079 /nfs/dbraw/zinc/88/50/79/599885079.db2.gz DGMSPKHZULXXRA-LOWVWBTDSA-N -1 0 397.428 0.398 20 0 GCADRM CC(C)C[C@@H](NC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC000736415072 599885089 /nfs/dbraw/zinc/88/50/89/599885089.db2.gz LMGHGFCMIVXQPE-VXGBXAGGSA-N -1 0 397.428 0.398 20 0 GCADRM C[C@@H](OC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C(=O)NCC(=O)[O-] ZINC000736698350 599886385 /nfs/dbraw/zinc/88/63/85/599886385.db2.gz VNUWSAHXVJJQOM-SECBINFHSA-N -1 0 383.378 0.724 20 0 GCADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCCCN1CCOC1=O ZINC000738474237 599889315 /nfs/dbraw/zinc/88/93/15/599889315.db2.gz ZFPLRCABNBNLKL-UHFFFAOYSA-N -1 0 379.369 0.355 20 0 GCADRM O=C([O-])CSCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000739859035 599892412 /nfs/dbraw/zinc/89/24/12/599892412.db2.gz BBZXPDJJBPKJFD-UHFFFAOYSA-N -1 0 382.410 0.567 20 0 GCADRM CS(=O)(=O)NCCNC(=S)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738164762 599892563 /nfs/dbraw/zinc/89/25/63/599892563.db2.gz FHGHGEUJEHXUED-UHFFFAOYSA-N -1 0 377.513 0.840 20 0 GCADRM COC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc(C(=O)[O-])c1 ZINC000737659171 599893605 /nfs/dbraw/zinc/89/36/05/599893605.db2.gz GTIMALOTENYQJS-AWEZNQCLSA-N -1 0 391.380 0.237 20 0 GCADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737066696 599894888 /nfs/dbraw/zinc/89/48/88/599894888.db2.gz DGCHKWGBXXHKHP-CYBMUJFWSA-N -1 0 383.426 0.542 20 0 GCADRM C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCSCC(=O)[O-])cn2)C[C@H](C)O1 ZINC000736826642 599909887 /nfs/dbraw/zinc/90/98/87/599909887.db2.gz QZFDKSDODZQEQF-RYUDHWBXSA-N -1 0 396.469 0.568 20 0 GCADRM CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c1 ZINC000738215709 599909890 /nfs/dbraw/zinc/90/98/90/599909890.db2.gz MTKMFLZZPWZWGW-UHFFFAOYSA-N -1 0 396.454 0.257 20 0 GCADRM COc1cc(NC(=O)C(=O)NCCSCC(=O)[O-])ccc1N1CCCC1=O ZINC000737893099 599911075 /nfs/dbraw/zinc/91/10/75/599911075.db2.gz XBVRHQGUDXPJEM-UHFFFAOYSA-N -1 0 395.437 0.695 20 0 GCADRM O=C([O-])CSCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000739857811 599911369 /nfs/dbraw/zinc/91/13/69/599911369.db2.gz MWUUHGLQKRZXPU-UHFFFAOYSA-N -1 0 395.437 0.032 20 0 GCADRM CCOc1cc(C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)ccc1OCC(=O)[O-] ZINC000737183255 599912062 /nfs/dbraw/zinc/91/20/62/599912062.db2.gz WIRPLHJHOIPVJP-GOSISDBHSA-N -1 0 391.380 0.315 20 0 GCADRM C[C@H](CN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C1CC1)C(=O)[O-] ZINC000736562262 599919428 /nfs/dbraw/zinc/91/94/28/599919428.db2.gz FRNOFBHWFVMTRG-BMIGLBTASA-N -1 0 376.388 0.957 20 0 GCADRM Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000262249063 599919496 /nfs/dbraw/zinc/91/94/96/599919496.db2.gz VHRAYVRSNDGZMT-LBPRGKRZSA-N -1 0 392.456 0.972 20 0 GCADRM O=C([O-])c1cn(CN2CCN(CCNC(=O)c3ccccc3F)CC2)nn1 ZINC000740255414 599922373 /nfs/dbraw/zinc/92/23/73/599922373.db2.gz WLYNEVKIWFSCFB-UHFFFAOYSA-N -1 0 376.392 0.121 20 0 GCADRM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN1CCNC(=O)C1(C)C ZINC000737650131 599927603 /nfs/dbraw/zinc/92/76/03/599927603.db2.gz MJHHLOMZWUWKDH-UHFFFAOYSA-N -1 0 383.426 0.690 20 0 GCADRM Cc1nc(S(=O)(=O)NCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1C ZINC000478843557 599927906 /nfs/dbraw/zinc/92/79/06/599927906.db2.gz ZXGQMOADPOWLEE-AGIUHOORSA-N -1 0 384.458 0.251 20 0 GCADRM Cc1nc(S(=O)(=O)NCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1C ZINC000262472029 599928222 /nfs/dbraw/zinc/92/82/22/599928222.db2.gz XALOXSQCPPRGSS-RDBSUJKOSA-N -1 0 398.485 0.641 20 0 GCADRM Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cn1C ZINC000738868215 599928766 /nfs/dbraw/zinc/92/87/66/599928766.db2.gz FBKCHAAZUPXVMI-CYBMUJFWSA-N -1 0 386.455 0.401 20 0 GCADRM CCOc1cc(C(=O)N2CCN(C(=O)COC)CC2)ccc1OCC(=O)[O-] ZINC000262651074 599930914 /nfs/dbraw/zinc/93/09/14/599930914.db2.gz RUGGGZSEBTYMQL-UHFFFAOYSA-N -1 0 380.397 0.480 20 0 GCADRM CNC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)cn1 ZINC000737544834 599931256 /nfs/dbraw/zinc/93/12/56/599931256.db2.gz PHCRVDIGJWDAMU-UHFFFAOYSA-N -1 0 392.393 0.056 20 0 GCADRM Cn1c(=O)c2cc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)cnc2n(C)c1=O ZINC000738999455 599934717 /nfs/dbraw/zinc/93/47/17/599934717.db2.gz QRJVRGGTLDMSAB-OAHLLOKOSA-N -1 0 396.403 0.968 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCO1 ZINC000262882201 599937601 /nfs/dbraw/zinc/93/76/01/599937601.db2.gz LUUFHLKUPWUZNK-SJORKVTESA-N -1 0 383.404 0.735 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)c2c[nH]c3ccccc32)CCO1 ZINC000263034265 599938582 /nfs/dbraw/zinc/93/85/82/599938582.db2.gz UZDCFBALGLDJFW-CABCVRRESA-N -1 0 389.433 0.995 20 0 GCADRM COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000737574274 599938585 /nfs/dbraw/zinc/93/85/85/599938585.db2.gz NEJPGOASGQAGGU-QMMMGPOBSA-N -1 0 379.774 0.406 20 0 GCADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000738346076 599939629 /nfs/dbraw/zinc/93/96/29/599939629.db2.gz VKJLOKGFAYHFLM-HNNXBMFYSA-N -1 0 395.481 0.796 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262949614 599939968 /nfs/dbraw/zinc/93/99/68/599939968.db2.gz IQGTWDXRSDXIMF-WFASDCNBSA-N -1 0 376.365 0.332 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000262949601 599940081 /nfs/dbraw/zinc/94/00/81/599940081.db2.gz IQGTWDXRSDXIMF-DOMZBBRYSA-N -1 0 376.365 0.332 20 0 GCADRM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000331146829 599940361 /nfs/dbraw/zinc/94/03/61/599940361.db2.gz SPCZZQORVPYTGM-CQSZACIVSA-N -1 0 384.454 0.830 20 0 GCADRM O=C([O-])c1ccc(Br)c(S(=O)(=O)N2CCCNC(=O)C2)c1 ZINC000115780810 599940409 /nfs/dbraw/zinc/94/04/09/599940409.db2.gz WRVCTYSVGIVITG-UHFFFAOYSA-N -1 0 377.216 0.658 20 0 GCADRM CN(CC(=O)N1CCO[C@@H](C(=O)[O-])C1)C(=O)c1ccc(Br)s1 ZINC000262953684 599940390 /nfs/dbraw/zinc/94/03/90/599940390.db2.gz JDYHMJKKVSHVHP-MRVPVSSYSA-N -1 0 391.243 0.895 20 0 GCADRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736149743 599941428 /nfs/dbraw/zinc/94/14/28/599941428.db2.gz NKWWHZAQYSNGBI-GDBMZVCRSA-N -1 0 393.415 0.312 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCO1 ZINC000263052942 599942044 /nfs/dbraw/zinc/94/20/44/599942044.db2.gz XBPBLUFQDPSODM-OAHLLOKOSA-N -1 0 382.438 0.833 20 0 GCADRM CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000736262196 599942183 /nfs/dbraw/zinc/94/21/83/599942183.db2.gz GGBSPMDSRGMZEC-LBPRGKRZSA-N -1 0 388.417 0.828 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCO1 ZINC000262844019 599942204 /nfs/dbraw/zinc/94/22/04/599942204.db2.gz DRZCUFDXRNJEGD-IHRRRGAJSA-N -1 0 382.413 0.280 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CCO1 ZINC000263041550 599942604 /nfs/dbraw/zinc/94/26/04/599942604.db2.gz VSXCZELBKFDKDH-IUODEOHRSA-N -1 0 388.376 0.387 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCO1 ZINC000262908635 599943294 /nfs/dbraw/zinc/94/32/94/599943294.db2.gz CGZBQJYZSISXKT-CABCVRRESA-N -1 0 382.438 0.542 20 0 GCADRM COc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2=O)c(OC)c1 ZINC000262848243 599944513 /nfs/dbraw/zinc/94/45/13/599944513.db2.gz FSGNUYBLEWKQBO-XHDPSFHLSA-N -1 0 378.381 0.369 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CCO1 ZINC000738551575 599944563 /nfs/dbraw/zinc/94/45/63/599944563.db2.gz KPECVPMRKZAUAS-LBPRGKRZSA-N -1 0 381.186 0.955 20 0 GCADRM COc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2=O)c(OC)c1 ZINC000262848236 599944776 /nfs/dbraw/zinc/94/47/76/599944776.db2.gz FSGNUYBLEWKQBO-NHYWBVRUSA-N -1 0 378.381 0.369 20 0 GCADRM COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000738116773 599944793 /nfs/dbraw/zinc/94/47/93/599944793.db2.gz 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CC(C)N1C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2S1(=O)=O ZINC000262996952 599949129 /nfs/dbraw/zinc/94/91/29/599949129.db2.gz PFEWBVZADMYTKE-LBPRGKRZSA-N -1 0 382.394 0.165 20 0 GCADRM NS(=O)(=O)c1cnn(CCC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000739200667 599951901 /nfs/dbraw/zinc/95/19/01/599951901.db2.gz HFOJXFYQWNGFFR-UHFFFAOYSA-N -1 0 398.466 0.877 20 0 GCADRM Cn1c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000738997794 599952026 /nfs/dbraw/zinc/95/20/26/599952026.db2.gz IZDHPVNSQWOCEX-AWEZNQCLSA-N -1 0 398.419 0.912 20 0 GCADRM Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cn1C ZINC000738868242 599952158 /nfs/dbraw/zinc/95/21/58/599952158.db2.gz FZPGYOHVBSHYAO-AWEZNQCLSA-N -1 0 394.453 0.729 20 0 GCADRM C[C@H](OC(=O)c1ccccc1S(=O)(=O)CC(F)F)C(=O)NCC(=O)[O-] ZINC000736695927 599952888 /nfs/dbraw/zinc/95/28/88/599952888.db2.gz GYLAPLVTOQKRHG-QMMMGPOBSA-N -1 0 379.337 0.472 20 0 GCADRM CCN1CCN(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)C(=O)C1=O ZINC000737117627 599952989 /nfs/dbraw/zinc/95/29/89/599952989.db2.gz ZEFXAYQQVHQICA-UHFFFAOYSA-N -1 0 379.438 0.634 20 0 GCADRM Cn1cc(S(=O)(=O)NCC(=O)Nc2cccc(CSCC(=O)[O-])c2)cn1 ZINC000739037350 599953013 /nfs/dbraw/zinc/95/30/13/599953013.db2.gz RFIPCHOOMTZYED-UHFFFAOYSA-N -1 0 398.466 0.655 20 0 GCADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000737615012 599953445 /nfs/dbraw/zinc/95/34/45/599953445.db2.gz ILDRBZIFIJRSLY-UHFFFAOYSA-N -1 0 385.170 0.496 20 0 GCADRM COc1ccc(CNC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)cc1C(=O)[O-] ZINC000737996229 599953502 /nfs/dbraw/zinc/95/35/02/599953502.db2.gz CCYXDVQQAIPAOR-UHFFFAOYSA-N -1 0 389.339 0.886 20 0 GCADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)C(=O)c2c1cccc2Br ZINC000737615275 599953648 /nfs/dbraw/zinc/95/36/48/599953648.db2.gz JYPGVWRRVAKRDI-UHFFFAOYSA-N -1 0 385.170 0.496 20 0 GCADRM COC(=O)CN(CC(=O)[O-])Cn1nc(-c2ccccc2)c2c(C)onc2c1=O ZINC000737617206 599954071 /nfs/dbraw/zinc/95/40/71/599954071.db2.gz BDFQGGIZNDXSRP-UHFFFAOYSA-N -1 0 386.364 0.877 20 0 GCADRM CS(=O)(=O)N[C@@H]1CCCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000738158006 599954235 /nfs/dbraw/zinc/95/42/35/599954235.db2.gz NZYZFVYCIPHIQO-HZPDHXFCSA-N -1 0 395.481 0.038 20 0 GCADRM COC(=O)CN(CC(=O)[O-])CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000737615022 599954504 /nfs/dbraw/zinc/95/45/04/599954504.db2.gz IMTPKRWFGAXVBT-LJQANCHMSA-N -1 0 389.408 0.459 20 0 GCADRM O=C([O-])CCn1c(=O)c2ccccc2nc1SC[C@H](O)CN1CCOCC1 ZINC000739782330 599954808 /nfs/dbraw/zinc/95/48/08/599954808.db2.gz ZMSCMQVJJQXOBZ-CYBMUJFWSA-N -1 0 393.465 0.656 20 0 GCADRM O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000013447143 599954825 /nfs/dbraw/zinc/95/48/25/599954825.db2.gz PIBOZFRQUORZGV-UHFFFAOYSA-N -1 0 391.405 0.220 20 0 GCADRM O=C([O-])CCn1c(=O)c2ccccc2nc1SC[C@@H](O)CN1CCOCC1 ZINC000739782331 599954941 /nfs/dbraw/zinc/95/49/41/599954941.db2.gz ZMSCMQVJJQXOBZ-ZDUSSCGKSA-N -1 0 393.465 0.656 20 0 GCADRM CC(C)Cn1c(N2CCOCC2)nn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S ZINC000736456524 599955521 /nfs/dbraw/zinc/95/55/21/599955521.db2.gz YFDPKVLSHOINLU-CYBMUJFWSA-N -1 0 385.490 0.650 20 0 GCADRM CN(C)c1cc2c(nn1)CCN(CCCN1C(=O)CS/C1=C\C(=O)[O-])C2 ZINC000737375169 599955714 /nfs/dbraw/zinc/95/57/14/599955714.db2.gz XRQRPWOFVDISLW-SXGWCWSVSA-N -1 0 377.470 0.792 20 0 GCADRM NC(=O)CCn1c(-c2ccco2)nn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S ZINC000738444061 599955918 /nfs/dbraw/zinc/95/59/18/599955918.db2.gz ONDWRLMYJIKALY-LLVKDONJSA-N -1 0 381.414 0.292 20 0 GCADRM COCCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737815352 599958655 /nfs/dbraw/zinc/95/86/55/599958655.db2.gz PJCZIMNVZJEEBE-UHFFFAOYSA-N -1 0 378.429 0.605 20 0 GCADRM COC(=O)c1cc(NC(=O)N(CCO)CCN2CCOCC2)cc(C(=O)[O-])c1 ZINC000737666738 599958666 /nfs/dbraw/zinc/95/86/66/599958666.db2.gz OSZJGDMEUVGJMA-UHFFFAOYSA-N -1 0 395.412 0.330 20 0 GCADRM O=C([O-])c1cccc(NC(=O)CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000739289174 599959206 /nfs/dbraw/zinc/95/92/06/599959206.db2.gz ARYKURBSGSCKNE-UHFFFAOYSA-N -1 0 381.396 0.583 20 0 GCADRM CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000738164917 599960014 /nfs/dbraw/zinc/96/00/14/599960014.db2.gz HJVRVHDQLLVXHC-CYBMUJFWSA-N -1 0 399.469 0.734 20 0 GCADRM C[C@H](c1nc(C2CC2)no1)N1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736728152 599963998 /nfs/dbraw/zinc/96/39/98/599963998.db2.gz MAZSBTGUZZHLBT-CYBMUJFWSA-N -1 0 391.472 0.949 20 0 GCADRM CC(C)C[C@H](NC(=O)CN1CCN(CCn2ccccc2=O)CC1)C(=O)[O-] ZINC000736409915 599964049 /nfs/dbraw/zinc/96/40/49/599964049.db2.gz AUDDZMMDVPTWPE-INIZCTEOSA-N -1 0 378.473 0.081 20 0 GCADRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CCSCC(=O)[O-])CC2)C1 ZINC000736752030 599964028 /nfs/dbraw/zinc/96/40/28/599964028.db2.gz ZHKGMHBZGVORCH-GJZGRUSLSA-N -1 0 385.530 0.843 20 0 GCADRM O=C([O-])c1ccc(NC(=O)CN2CCN(CCn3ccccc3=O)CC2)cc1 ZINC000738464625 599964432 /nfs/dbraw/zinc/96/44/32/599964432.db2.gz NOPDUADQEBZXEO-UHFFFAOYSA-N -1 0 384.436 0.803 20 0 GCADRM CCc1noc([C@H](C)N2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC2)n1 ZINC000737292338 599964621 /nfs/dbraw/zinc/96/46/21/599964621.db2.gz OSJQMZSOGQZJIB-UONOGXRCSA-N -1 0 381.477 0.926 20 0 GCADRM O=C([O-])c1ccc(OCCNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 ZINC000739428170 599964812 /nfs/dbraw/zinc/96/48/12/599964812.db2.gz CPIUWKNGWDVJPK-UHFFFAOYSA-N -1 0 396.363 0.494 20 0 GCADRM COc1cc(C)nc(N2CCN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)n1 ZINC000737868815 599965700 /nfs/dbraw/zinc/96/57/00/599965700.db2.gz YABQRKIUJMVKAV-CQSZACIVSA-N -1 0 391.472 0.627 20 0 GCADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000738276904 599966141 /nfs/dbraw/zinc/96/61/41/599966141.db2.gz KNKCZNQJZUCDMQ-UHFFFAOYSA-N -1 0 390.421 0.825 20 0 GCADRM O=C(CN1CCO[C@@H](C(=O)[O-])C1)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000738465454 599966397 /nfs/dbraw/zinc/96/63/97/599966397.db2.gz MMAUZXGXTFVLGO-OAHLLOKOSA-N -1 0 393.465 0.600 20 0 GCADRM O=C([O-])[C@@H]1CN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC000676230985 599967097 /nfs/dbraw/zinc/96/70/97/599967097.db2.gz AIBJXDGMLZWSDI-ZDUSSCGKSA-N -1 0 376.331 0.986 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O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)Cc3c(F)cccc3F)C2)C1 ZINC000547924744 1184775405 /nfs/dbraw/zinc/77/54/05/1184775405.db2.gz HPOPQTOENMCKBI-GHMZBOCLSA-N -1 0 388.392 0.802 20 0 GCADRM O=S(=O)([N-]c1ncccn1)c1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1 ZINC000655680635 1184775898 /nfs/dbraw/zinc/77/58/98/1184775898.db2.gz HECGAQREAPIOSC-GFCCVEGCSA-N -1 0 398.466 0.280 20 0 GCADRM COc1ccc(S(=O)(=O)NCc2ccccc2CC(=O)[O-])cc1C(N)=O ZINC000547932529 1184778280 /nfs/dbraw/zinc/77/82/80/1184778280.db2.gz DRWSMSMWGDLRJL-UHFFFAOYSA-N -1 0 378.406 0.900 20 0 GCADRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000547933842 1184778345 /nfs/dbraw/zinc/77/83/45/1184778345.db2.gz XVEOVWSXGMPOGK-VHSXEESVSA-N -1 0 398.441 0.592 20 0 GCADRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)[O-] ZINC000547933845 1184778536 /nfs/dbraw/zinc/77/85/36/1184778536.db2.gz XVEOVWSXGMPOGK-ZJUUUORDSA-N -1 0 398.441 0.592 20 0 GCADRM C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)C[C@@H]1O ZINC000655710542 1184783329 /nfs/dbraw/zinc/78/33/29/1184783329.db2.gz AYMRTZTWDKEZMU-LRDDRELGSA-N -1 0 397.478 0.884 20 0 GCADRM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)cc1 ZINC000109765166 1184796017 /nfs/dbraw/zinc/79/60/17/1184796017.db2.gz WIDJEBHBEUHZEV-UHFFFAOYSA-N -1 0 393.450 0.775 20 0 GCADRM O=C(CCc1cnccn1)[N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000796673848 1184814391 /nfs/dbraw/zinc/81/43/91/1184814391.db2.gz XARVOXWCBWDFIA-UHFFFAOYSA-N -1 0 389.481 0.588 20 0 GCADRM CC(=O)NCCN(C(=O)c1cccc(C(=O)N2CCCC2)n1)[C@H](C)C(=O)[O-] ZINC000510295938 1184814881 /nfs/dbraw/zinc/81/48/81/1184814881.db2.gz OPOFSHSQNOJIAI-GFCCVEGCSA-N -1 0 376.413 0.369 20 0 GCADRM NC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)cc1 ZINC000683620298 1184820816 /nfs/dbraw/zinc/82/08/16/1184820816.db2.gz KHYRMSUVAWSMII-GJZGRUSLSA-N -1 0 378.406 0.121 20 0 GCADRM CNS(=O)(=O)c1ccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)o1 ZINC001648820839 1184822026 /nfs/dbraw/zinc/82/20/26/1184822026.db2.gz GWEVFDLDOQBSCW-UHFFFAOYSA-N -1 0 379.442 0.949 20 0 GCADRM CCO[C@@]1(C)C[C@H]1NC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001167308011 1184825532 /nfs/dbraw/zinc/82/55/32/1184825532.db2.gz ZTBNCNCZALTHES-ACJLOTCBSA-N -1 0 375.429 0.405 20 0 GCADRM CNC(=O)NC[C@H]1CCCCN1C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC001648841641 1184840056 /nfs/dbraw/zinc/84/00/56/1184840056.db2.gz CMYAGLHZOSBBQH-CYBMUJFWSA-N -1 0 399.455 0.800 20 0 GCADRM COc1ccc(S(=O)(=O)N2CC(NC(=O)NC[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC000655875077 1184843479 /nfs/dbraw/zinc/84/34/79/1184843479.db2.gz FANYVRISDHTTFL-HNNXBMFYSA-N -1 0 399.469 0.724 20 0 GCADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N3CC[C@H](O)[C@@H](CO)C3)c2)no1 ZINC001648848877 1184843911 /nfs/dbraw/zinc/84/39/11/1184843911.db2.gz CHXKTMTUBQCSTO-HIFRSBDPSA-N -1 0 395.437 0.599 20 0 GCADRM COC(=O)C1(c2ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc2)CC1 ZINC000275636234 1184845293 /nfs/dbraw/zinc/84/52/93/1184845293.db2.gz MQHBGQVOABISML-MRXNPFEDSA-N -1 0 385.438 0.643 20 0 GCADRM COc1ccc(C(=O)N2CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC2)c(OC)c1 ZINC000655887763 1184846146 /nfs/dbraw/zinc/84/61/46/1184846146.db2.gz DCYIBFFMJLDKLH-GFCCVEGCSA-N -1 0 379.413 0.892 20 0 GCADRM C[C@@H](CNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)C(=O)[O-] ZINC000655887337 1184847380 /nfs/dbraw/zinc/84/73/80/1184847380.db2.gz LMWAZDLXBUAZLA-WCQYABFASA-N -1 0 387.433 0.999 20 0 GCADRM COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000655894611 1184849362 /nfs/dbraw/zinc/84/93/62/1184849362.db2.gz ZGDRHEDPXCRPFT-HUUCEWRRSA-N -1 0 386.493 0.212 20 0 GCADRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1 ZINC000655899153 1184852184 /nfs/dbraw/zinc/85/21/84/1184852184.db2.gz ZKHZVDVFHWLHTN-ZIAGYGMSSA-N -1 0 393.506 0.425 20 0 GCADRM COCCOc1ccc(S([O-])=CC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000471453229 1184857252 /nfs/dbraw/zinc/85/72/52/1184857252.db2.gz RQAHXKZOIFTREF-PVPMGCCUSA-N -1 0 382.482 0.947 20 0 GCADRM CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655940150 1184882134 /nfs/dbraw/zinc/88/21/34/1184882134.db2.gz PVKUWFBBZOPUSY-VXGBXAGGSA-N -1 0 399.469 0.680 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-] ZINC000655943325 1184883301 /nfs/dbraw/zinc/88/33/01/1184883301.db2.gz DFTDQDMWMBXFRR-CQSZACIVSA-N -1 0 391.424 0.571 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC000655943660 1184884485 /nfs/dbraw/zinc/88/44/85/1184884485.db2.gz IMPDOPLZNJLXCI-AWEZNQCLSA-N -1 0 389.408 0.747 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000655943954 1184884601 /nfs/dbraw/zinc/88/46/01/1184884601.db2.gz PSXFVJHNNIPJLJ-AWEZNQCLSA-N -1 0 397.453 0.539 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C(=O)[O-] ZINC000655944581 1184885221 /nfs/dbraw/zinc/88/52/21/1184885221.db2.gz IUTKSIDKCMTOKD-CYBMUJFWSA-N -1 0 389.408 0.747 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000655945053 1184887221 /nfs/dbraw/zinc/88/72/21/1184887221.db2.gz FCQAAWRNACAHFX-LLVKDONJSA-N -1 0 385.442 0.494 20 0 GCADRM COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655945589 1184887971 /nfs/dbraw/zinc/88/79/71/1184887971.db2.gz UOFRSVXNBWLLFQ-LBPRGKRZSA-N -1 0 379.413 0.809 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000655945143 1184888627 /nfs/dbraw/zinc/88/86/27/1184888627.db2.gz KCSHQRXEKNIAQX-GFCCVEGCSA-N -1 0 385.442 0.315 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)C(=O)[O-] ZINC000655946578 1184889085 /nfs/dbraw/zinc/88/90/85/1184889085.db2.gz GHDXCBSEPNTNII-ZDUSSCGKSA-N -1 0 376.413 0.623 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000655948387 1184890236 /nfs/dbraw/zinc/89/02/36/1184890236.db2.gz WRXPYAATQWIFBI-CQSZACIVSA-N -1 0 397.453 0.539 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000655948368 1184891863 /nfs/dbraw/zinc/89/18/63/1184891863.db2.gz WNEWHZJLJSAUPK-GFCCVEGCSA-N -1 0 397.453 0.420 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000655977397 1184913337 /nfs/dbraw/zinc/91/33/37/1184913337.db2.gz HHLCJUXSPUZFCP-DLBZAZTESA-N -1 0 391.468 0.477 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1)C(=O)[O-] ZINC000655977390 1184913447 /nfs/dbraw/zinc/91/34/47/1184913447.db2.gz HCISMRIIJFRKSO-KBPBESRZSA-N -1 0 397.497 0.711 20 0 GCADRM C[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)C(=O)[O-] ZINC000655979903 1184915150 /nfs/dbraw/zinc/91/51/50/1184915150.db2.gz NNDFGDKZFKUENZ-IUODEOHRSA-N -1 0 397.859 0.666 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000655980004 1184917065 /nfs/dbraw/zinc/91/70/65/1184917065.db2.gz ODUYMNAJNNTPDS-INIZCTEOSA-N -1 0 389.452 0.898 20 0 GCADRM CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1OCC(=O)NC ZINC000655980940 1184918509 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ZINC000422646972 1194681668 /nfs/dbraw/zinc/68/16/68/1194681668.db2.gz WBPDRJBGYXFYHW-UHFFFAOYSA-N -1 0 386.401 0.936 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000422647838 1194681736 /nfs/dbraw/zinc/68/17/36/1194681736.db2.gz BYYGCNVXMHQKTM-GFCCVEGCSA-N -1 0 397.453 0.697 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000422647481 1194681746 /nfs/dbraw/zinc/68/17/46/1194681746.db2.gz BCHGTASQPOPUDM-LBPRGKRZSA-N -1 0 397.453 0.779 20 0 GCADRM CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000422645443 1194681769 /nfs/dbraw/zinc/68/17/69/1194681769.db2.gz UJEDZHITIKERBC-OAHLLOKOSA-N -1 0 390.440 0.905 20 0 GCADRM CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC000422649504 1194681827 /nfs/dbraw/zinc/68/18/27/1194681827.db2.gz IQIXDVPMHSAIBX-GFCCVEGCSA-N -1 0 399.469 0.929 20 0 GCADRM COc1cc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000422657082 1194682675 /nfs/dbraw/zinc/68/26/75/1194682675.db2.gz HNBHTMGQGBADIZ-ZDUSSCGKSA-N -1 0 386.426 0.653 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC000422656672 1194682888 /nfs/dbraw/zinc/68/28/88/1194682888.db2.gz FGTXYTPCDCOKTJ-AWEZNQCLSA-N -1 0 397.453 0.781 20 0 GCADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])OCO2 ZINC000422656264 1194682928 /nfs/dbraw/zinc/68/29/28/1194682928.db2.gz CHJLWZUDBKHWPJ-NSHDSACASA-N -1 0 380.353 0.756 20 0 GCADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000422657796 1194682930 /nfs/dbraw/zinc/68/29/30/1194682930.db2.gz BIYXUYIERTYJFJ-SCRDCRAPSA-N -1 0 376.413 0.709 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1-n1nnnc1C ZINC000422659073 1194683072 /nfs/dbraw/zinc/68/30/72/1194683072.db2.gz XAYJAFUWFWHADL-LBPRGKRZSA-N -1 0 390.400 0.533 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000422658956 1194683122 /nfs/dbraw/zinc/68/31/22/1194683122.db2.gz WJXVHAGHABOSIS-AWEZNQCLSA-N -1 0 391.424 0.776 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000422658938 1194683133 /nfs/dbraw/zinc/68/31/33/1194683133.db2.gz FHPQRDIFUJQCLQ-ZDUSSCGKSA-N -1 0 383.426 0.852 20 0 GCADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422659132 1194683146 /nfs/dbraw/zinc/68/31/46/1194683146.db2.gz FXQDRCMMLCKOAH-AWEZNQCLSA-N -1 0 397.453 0.779 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C)n1 ZINC000422679449 1194683379 /nfs/dbraw/zinc/68/33/79/1194683379.db2.gz UKTMGAUCQVVFDS-ZIAGYGMSSA-N -1 0 376.413 0.463 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000422679438 1194683546 /nfs/dbraw/zinc/68/35/46/1194683546.db2.gz UKIVAWUGHVYVOX-CABCVRRESA-N -1 0 391.424 0.850 20 0 GCADRM CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422658183 1194683555 /nfs/dbraw/zinc/68/35/55/1194683555.db2.gz CLAYWSQJFIGRSG-CYBMUJFWSA-N -1 0 383.426 0.852 20 0 GCADRM COc1ccc(C)cc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422680545 1194683736 /nfs/dbraw/zinc/68/37/36/1194683736.db2.gz ZNMQVVRZAZNZNZ-IUODEOHRSA-N -1 0 391.424 0.768 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000422681954 1194683768 /nfs/dbraw/zinc/68/37/68/1194683768.db2.gz ALPRDSBYTMFATA-QWHCGFSZSA-N -1 0 391.424 0.661 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(N3CCOCC3)nc1)C2 ZINC000422682115 1194683773 /nfs/dbraw/zinc/68/37/73/1194683773.db2.gz JSTWAUUKMJXZHH-ORAYPTAESA-N -1 0 388.424 0.570 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000422680335 1194683806 /nfs/dbraw/zinc/68/38/06/1194683806.db2.gz YVVKOAXFTPDNJA-UKRRQHHQSA-N -1 0 389.408 0.386 20 0 GCADRM CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cn1 ZINC000422686078 1194684138 /nfs/dbraw/zinc/68/41/38/1194684138.db2.gz HREFHWSNUUOZCV-NEPJUHHUSA-N -1 0 394.428 0.689 20 0 GCADRM COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000422684436 1194684211 /nfs/dbraw/zinc/68/42/11/1194684211.db2.gz DZTJYWFZGOURKG-NWDGAFQWSA-N -1 0 378.381 0.746 20 0 GCADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422688058 1194684497 /nfs/dbraw/zinc/68/44/97/1194684497.db2.gz KANMOHGFRTYAAK-WCQYABFASA-N -1 0 386.412 0.868 20 0 GCADRM Cc1c(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000422686178 1194684530 /nfs/dbraw/zinc/68/45/30/1194684530.db2.gz JSNYWCDXHGNFQC-JTQLQIEISA-N -1 0 397.453 0.553 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000422664517 1194684601 /nfs/dbraw/zinc/68/46/01/1194684601.db2.gz WJXVHAGHABOSIS-CQSZACIVSA-N -1 0 391.424 0.776 20 0 GCADRM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)[O-] ZINC000422664372 1194684625 /nfs/dbraw/zinc/68/46/25/1194684625.db2.gz VULHMGQNJWDNQN-CQSZACIVSA-N -1 0 399.469 0.927 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)[O-] ZINC000422667145 1194684959 /nfs/dbraw/zinc/68/49/59/1194684959.db2.gz QOPSBFUEXLHITP-ZANVPECISA-N -1 0 394.380 0.814 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)[O-] ZINC000422666173 1194684991 /nfs/dbraw/zinc/68/49/91/1194684991.db2.gz FKMHIDRVLVFGSU-FZMZJTMJSA-N -1 0 399.469 0.927 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCOC)c1)C(=O)[O-] ZINC000422666158 1194684995 /nfs/dbraw/zinc/68/49/95/1194684995.db2.gz FEYZDOPVTZPNNA-FZMZJTMJSA-N -1 0 379.413 0.617 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000422665381 1194685107 /nfs/dbraw/zinc/68/51/07/1194685107.db2.gz XBERKQSCAVSJAK-AWEZNQCLSA-N -1 0 391.449 0.890 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OCCF)c1)[C@@H](C)C(=O)[O-] ZINC000422668368 1194685376 /nfs/dbraw/zinc/68/53/76/1194685376.db2.gz DEMZDYUEDUEFAW-NSHDSACASA-N -1 0 383.376 0.411 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1CCc2c1cccc2Cl)[C@H](C)C(=O)[O-] ZINC000422668854 1194685431 /nfs/dbraw/zinc/68/54/31/1194685431.db2.gz FXZXZRZDFJFLSX-SNVBAGLBSA-N -1 0 381.816 0.667 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc2c(cc1C)OCO2)[C@@H](C)C(=O)[O-] ZINC000422669017 1194685471 /nfs/dbraw/zinc/68/54/71/1194685471.db2.gz GLNLMLJXVANUIU-JTQLQIEISA-N -1 0 379.369 0.100 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1-n1cccn1)[C@H](C)C(=O)[O-] ZINC000422670807 1194685947 /nfs/dbraw/zinc/68/59/47/1194685947.db2.gz LDFPJBWXKYAEDC-GFCCVEGCSA-N -1 0 387.396 0.249 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)cc1Cl)[C@@H](C)C(=O)[O-] ZINC000422671438 1194686158 /nfs/dbraw/zinc/68/61/58/1194686158.db2.gz NGJYBTLKTANUFR-ZETCQYMHSA-N -1 0 391.758 0.995 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2)[C@H](C)C(=O)[O-] ZINC000422673024 1194686197 /nfs/dbraw/zinc/68/61/97/1194686197.db2.gz RVRQBWDHBYYSKM-SNVBAGLBSA-N -1 0 393.396 0.570 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OC(C)C)[C@H](C)C(=O)[O-] ZINC000422671954 1194686269 /nfs/dbraw/zinc/68/62/69/1194686269.db2.gz PECCJCYQCNOGQD-GFCCVEGCSA-N -1 0 379.413 0.850 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1OCCF)[C@@H](C)C(=O)[O-] ZINC000422671893 1194686359 /nfs/dbraw/zinc/68/63/59/1194686359.db2.gz OTCIMHHPJLKOLB-NSHDSACASA-N -1 0 383.376 0.411 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000422673153 1194686543 /nfs/dbraw/zinc/68/65/43/1194686543.db2.gz SJEYHFHDARDLBN-HNNXBMFYSA-N -1 0 391.424 0.857 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1c(F)cc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000422674003 1194686840 /nfs/dbraw/zinc/68/68/40/1194686840.db2.gz VIEXXOATLXFFEX-SSDOTTSWSA-N -1 0 375.303 0.480 20 0 GCADRM Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000422673720 1194686846 /nfs/dbraw/zinc/68/68/46/1194686846.db2.gz RDLRHTKEBJTXQG-GFCCVEGCSA-N -1 0 375.360 1.119 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C)c1 ZINC000422675925 1194687086 /nfs/dbraw/zinc/68/70/86/1194687086.db2.gz CNCXHDHFSDGCNO-CABCVRRESA-N -1 0 391.424 0.768 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c(C)c1 ZINC000422675927 1194687161 /nfs/dbraw/zinc/68/71/61/1194687161.db2.gz CNCXHDHFSDGCNO-HUUCEWRRSA-N -1 0 391.424 0.768 20 0 GCADRM Cc1cc(S(C)(=O)=O)cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000422677087 1194687441 /nfs/dbraw/zinc/68/74/41/1194687441.db2.gz GZSJPMGJPQAWQW-GFCCVEGCSA-N -1 0 382.438 0.969 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3cnccc3c2)C1=O ZINC000422675345 1194687490 /nfs/dbraw/zinc/68/74/90/1194687490.db2.gz BIWUCUNTSNWDSZ-JKSUJKDBSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3cnccc3c2)C1=O ZINC000422675344 1194687635 /nfs/dbraw/zinc/68/76/35/1194687635.db2.gz BIWUCUNTSNWDSZ-HZPDHXFCSA-N -1 0 398.419 1.000 20 0 GCADRM CC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422677102 1194687650 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0.587 20 0 GCADRM O=C([O-])c1ncsc1S(=O)(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000326448674 971293996 /nfs/dbraw/zinc/29/39/96/971293996.db2.gz SLWFCGKIYMNFDA-LLVKDONJSA-N -1 0 375.472 0.717 20 0 GCADRM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000326471830 971296900 /nfs/dbraw/zinc/29/69/00/971296900.db2.gz DLPNOZKFOOGQNY-UHFFFAOYSA-N -1 0 376.456 0.020 20 0 GCADRM C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824860521 946954887 /nfs/dbraw/zinc/95/48/87/946954887.db2.gz VJQLIIIDXPVGGE-QWRGUYRKSA-N -1 0 391.436 0.315 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)CCC1=O ZINC000824868292 946961096 /nfs/dbraw/zinc/96/10/96/946961096.db2.gz UTCVLBSIFIUTEV-QWRGUYRKSA-N -1 0 377.426 0.818 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCC1=O ZINC000824868654 946964938 /nfs/dbraw/zinc/96/49/38/946964938.db2.gz WVBMNKMPRQWKSX-GWCFXTLKSA-N -1 0 377.426 0.818 20 0 GCADRM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824975817 947017938 /nfs/dbraw/zinc/01/79/38/947017938.db2.gz LLMJDPYEBBASSS-QWRGUYRKSA-N -1 0 391.436 0.315 20 0 GCADRM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC000326700166 971318216 /nfs/dbraw/zinc/31/82/16/971318216.db2.gz VLMPJDSFSBWQDP-LBPRGKRZSA-N -1 0 391.467 0.520 20 0 GCADRM O=C([O-])c1cc(Cl)cc(S(=O)(=O)N2CCCN(CCO)CC2)c1F ZINC000326857370 971337067 /nfs/dbraw/zinc/33/70/67/971337067.db2.gz UOIBLVRTEDGGTK-UHFFFAOYSA-N -1 0 380.825 0.866 20 0 GCADRM O=C([O-])c1c[nH]nc1S(=O)(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000326869834 971337730 /nfs/dbraw/zinc/33/77/30/971337730.db2.gz YKUMCHIRMFGCTL-LLVKDONJSA-N -1 0 386.455 0.521 20 0 GCADRM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@H]1CN(C)CCN1C ZINC000326945579 971349145 /nfs/dbraw/zinc/34/91/45/971349145.db2.gz NKVVJNDOVGVPDE-NSHDSACASA-N -1 0 391.877 0.571 20 0 GCADRM CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000326963314 971351653 /nfs/dbraw/zinc/35/16/53/971351653.db2.gz DMPNVJQADHUKRU-SNVBAGLBSA-N -1 0 380.419 0.178 20 0 GCADRM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573591385 947310441 /nfs/dbraw/zinc/31/04/41/947310441.db2.gz BBJPZFQWNLPHFD-WCQYABFASA-N -1 0 382.432 0.231 20 0 GCADRM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001573592300 947333051 /nfs/dbraw/zinc/33/30/51/947333051.db2.gz IYPDRSYVIRLHBM-CHWSQXEVSA-N -1 0 388.476 0.790 20 0 GCADRM COC(=O)CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000327116706 971368571 /nfs/dbraw/zinc/36/85/71/971368571.db2.gz HYKGQXWGDBFFHT-UHFFFAOYSA-N -1 0 390.845 0.908 20 0 GCADRM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573594206 947389650 /nfs/dbraw/zinc/38/96/50/947389650.db2.gz OQIWDGHXVGFNPW-WPRPVWTQSA-N -1 0 384.366 0.926 20 0 GCADRM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573594450 947394292 /nfs/dbraw/zinc/39/42/92/947394292.db2.gz AZWAVGHVIQYIEW-WDEREUQCSA-N -1 0 388.457 0.175 20 0 GCADRM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573594444 947396098 /nfs/dbraw/zinc/39/60/98/947396098.db2.gz AZWAVGHVIQYIEW-GHMZBOCLSA-N -1 0 388.457 0.175 20 0 GCADRM CN1C(=O)CN([N-]C(=O)c2ccc(COc3ccc(-c4nn[nH]n4)cc3)o2)C1=O ZINC000826010248 947401448 /nfs/dbraw/zinc/40/14/48/947401448.db2.gz FTBBPDOZSHPXAM-UHFFFAOYSA-N -1 0 397.351 0.578 20 0 GCADRM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)n1cccc1 ZINC001573595007 947412826 /nfs/dbraw/zinc/41/28/26/947412826.db2.gz WJNMGNKIZGRAOB-OLZOCXBDSA-N -1 0 382.428 0.930 20 0 GCADRM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)n1cccc1 ZINC001573595009 947413139 /nfs/dbraw/zinc/41/31/39/947413139.db2.gz WJNMGNKIZGRAOB-STQMWFEESA-N -1 0 382.428 0.930 20 0 GCADRM COc1ccc(NC(=O)CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1Cl ZINC000327226961 971378456 /nfs/dbraw/zinc/37/84/56/971378456.db2.gz RATXARJAFZBBFC-LLVKDONJSA-N -1 0 390.845 0.861 20 0 GCADRM COc1ccc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1Cl ZINC000327226963 971378632 /nfs/dbraw/zinc/37/86/32/971378632.db2.gz RATXARJAFZBBFC-NSHDSACASA-N -1 0 390.845 0.861 20 0 GCADRM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nnn[n-]2)n1 ZINC001573599274 947452418 /nfs/dbraw/zinc/45/24/18/947452418.db2.gz WYQJHCHVJLGBBK-WDEREUQCSA-N -1 0 391.436 0.487 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)CCO1 ZINC000327279933 971383090 /nfs/dbraw/zinc/38/30/90/971383090.db2.gz ZNDMXPVMIJUOBV-SNVBAGLBSA-N -1 0 393.801 0.609 20 0 GCADRM COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(C)n1 ZINC000826163709 947515590 /nfs/dbraw/zinc/51/55/90/947515590.db2.gz HRKGHZLKIPGQOE-UHFFFAOYSA-N -1 0 391.413 0.137 20 0 GCADRM Cc1nc(CN2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)cs1 ZINC000327348085 971391247 /nfs/dbraw/zinc/39/12/47/971391247.db2.gz DFOZXRCESMXAEF-UHFFFAOYSA-N -1 0 388.515 0.611 20 0 GCADRM C[C@@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)n1cnc(-c2nnn[n-]2)n1 ZINC001573606959 947536513 /nfs/dbraw/zinc/53/65/13/947536513.db2.gz BGBBRBWMHIGJGO-LURJTMIESA-N -1 0 375.299 0.283 20 0 GCADRM CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000327412480 971396325 /nfs/dbraw/zinc/39/63/25/971396325.db2.gz IEBICKXHOGUQBU-NSHDSACASA-N -1 0 394.446 0.616 20 0 GCADRM CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000327412478 971396865 /nfs/dbraw/zinc/39/68/65/971396865.db2.gz IEBICKXHOGUQBU-LLVKDONJSA-N -1 0 394.446 0.616 20 0 GCADRM C[C@H](C(=O)N1CC(n2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1)c1cccc(O)c1 ZINC001573613531 947564797 /nfs/dbraw/zinc/56/47/97/947564797.db2.gz BTXQTUSHQKBUNQ-VIFPVBQESA-N -1 0 383.368 0.022 20 0 GCADRM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573613548 947565327 /nfs/dbraw/zinc/56/53/27/947565327.db2.gz CFIHEPCNJNYDJU-MQYQWHSLSA-N -1 0 384.444 0.651 20 0 GCADRM N#Cc1ccc(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1Cl ZINC000327446628 971400195 /nfs/dbraw/zinc/40/01/95/971400195.db2.gz QQOUNMKRCGKJNS-LBPRGKRZSA-N -1 0 385.829 0.724 20 0 GCADRM CC(=O)N[C@@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])c1cccs1 ZINC000327459176 971400964 /nfs/dbraw/zinc/40/09/64/971400964.db2.gz UNPGPIGUNWCCJG-RYUDHWBXSA-N -1 0 388.467 0.416 20 0 GCADRM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614329 947583474 /nfs/dbraw/zinc/58/34/74/947583474.db2.gz LWYZLHQTZSUROS-RKDXNWHRSA-N -1 0 384.366 0.926 20 0 GCADRM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614324 947584136 /nfs/dbraw/zinc/58/41/36/947584136.db2.gz LWYZLHQTZSUROS-DTWKUNHWSA-N -1 0 384.366 0.926 20 0 GCADRM C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573615679 947608525 /nfs/dbraw/zinc/60/85/25/947608525.db2.gz JRIHPNRSXLWFPG-STQMWFEESA-N -1 0 379.428 0.538 20 0 GCADRM C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573354684 947635713 /nfs/dbraw/zinc/63/57/13/947635713.db2.gz HABOPUNQIGBAED-LJQANCHMSA-N -1 0 392.423 0.671 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@H](S(C)(=O)=O)C2)c(CC(=O)[O-])c1 ZINC000327620689 971412371 /nfs/dbraw/zinc/41/23/71/971412371.db2.gz MQLLOHIULOQBMY-ZDUSSCGKSA-N -1 0 391.467 0.520 20 0 GCADRM CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000327619865 971412855 /nfs/dbraw/zinc/41/28/55/971412855.db2.gz MTOWFGQVOMOJKG-UHFFFAOYSA-N -1 0 394.446 0.616 20 0 GCADRM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573627520 947726120 /nfs/dbraw/zinc/72/61/20/947726120.db2.gz CYDIQSICOONENC-CHWSQXEVSA-N -1 0 382.432 0.329 20 0 GCADRM CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)n1 ZINC001573367196 947756335 /nfs/dbraw/zinc/75/63/35/947756335.db2.gz AMINVUOLTSZHPZ-OKILXGFUSA-N -1 0 384.444 0.986 20 0 GCADRM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573630009 947786424 /nfs/dbraw/zinc/78/64/24/947786424.db2.gz PZWDUHWWLFZKFF-NXEZZACHSA-N -1 0 384.366 0.928 20 0 GCADRM CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nnn[n-]3)n1)CC2 ZINC001573373150 947791442 /nfs/dbraw/zinc/79/14/42/947791442.db2.gz BCEMODXKZMZUGR-CYBMUJFWSA-N -1 0 384.444 0.891 20 0 GCADRM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573373692 947796994 /nfs/dbraw/zinc/79/69/94/947796994.db2.gz KHIJIAJWUPSMDL-JSGCOSHPSA-N -1 0 386.460 0.734 20 0 GCADRM CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000327891557 971431905 /nfs/dbraw/zinc/43/19/05/971431905.db2.gz BSYYPNOCLLMHFB-MRVPVSSYSA-N -1 0 398.409 0.317 20 0 GCADRM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573374710 947813824 /nfs/dbraw/zinc/81/38/24/947813824.db2.gz PIQMOBDUMCBXRY-TZMCWYRMSA-N -1 0 386.460 0.877 20 0 GCADRM CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nnn[n-]3)n1)C2 ZINC001573375553 947820935 /nfs/dbraw/zinc/82/09/35/947820935.db2.gz OEWMOSQRULTRDQ-IHRRRGAJSA-N -1 0 384.444 0.890 20 0 GCADRM C[C@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001573637728 947822180 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391.373 0.559 20 0 GCADRM Cc1sc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594511291 955393258 /nfs/dbraw/zinc/39/32/58/955393258.db2.gz LFZKUYDNBDOBMJ-KGXJWFGYSA-N -1 0 388.467 0.846 20 0 GCADRM C[C@@H](C[C@H](O)c1cccs1)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589013107 955398464 /nfs/dbraw/zinc/39/84/64/955398464.db2.gz PMJWEXKWQYWOPG-QWRGUYRKSA-N -1 0 375.468 0.956 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC001593844735 955400015 /nfs/dbraw/zinc/40/00/15/955400015.db2.gz BNBHSRDNDIOTDH-KEYYUXOJSA-N -1 0 392.408 0.737 20 0 GCADRM CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cn1C ZINC000818431779 955400035 /nfs/dbraw/zinc/40/00/35/955400035.db2.gz YKFMTQCEIYTLIN-GXFFZTMASA-N -1 0 386.426 0.645 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC001593844733 955400427 /nfs/dbraw/zinc/40/04/27/955400427.db2.gz BNBHSRDNDIOTDH-JKIFEVAISA-N -1 0 392.408 0.737 20 0 GCADRM 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C[C@@H](CN(C)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)[O-] ZINC001589031536 955524345 /nfs/dbraw/zinc/52/43/45/955524345.db2.gz PPGDCDNNRLVBIP-JTQLQIEISA-N -1 0 376.456 0.896 20 0 GCADRM COC(=O)[C@@H](CNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)Oc1ccccc1 ZINC001593860067 955525440 /nfs/dbraw/zinc/52/54/40/955525440.db2.gz BQQZQMBNLNXYPC-UONOGXRCSA-N -1 0 378.381 0.046 20 0 GCADRM COC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593860512 955532342 /nfs/dbraw/zinc/53/23/42/955532342.db2.gz ULPFFINCIVBJNU-CQSZACIVSA-N -1 0 388.417 0.541 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC001593860529 955532448 /nfs/dbraw/zinc/53/24/48/955532448.db2.gz BFZHTCOAWXYJSS-ZNMIVQPWSA-N -1 0 398.437 0.374 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H]1c1ccccc1 ZINC001593860526 955532684 /nfs/dbraw/zinc/53/26/84/955532684.db2.gz BFLGFEWFGJKLMT-ZNMIVQPWSA-N -1 0 382.438 0.669 20 0 GCADRM 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CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001594168790 958969713 /nfs/dbraw/zinc/96/97/13/958969713.db2.gz VIFCDUFVHMREPY-LBPRGKRZSA-N -1 0 390.801 0.931 20 0 GCADRM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NC2(CC(=O)[O-])CCCCC2)C1 ZINC001594169641 958977723 /nfs/dbraw/zinc/97/77/23/958977723.db2.gz BHGFWVAZUFUIRJ-LBPRGKRZSA-N -1 0 382.504 0.365 20 0 GCADRM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC001573484880 958989547 /nfs/dbraw/zinc/98/95/47/958989547.db2.gz SGIOYFNJNCVTBO-GJZGRUSLSA-N -1 0 396.488 0.646 20 0 GCADRM CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cn2)CC1 ZINC001594170587 958993974 /nfs/dbraw/zinc/99/39/74/958993974.db2.gz QPVAHSWNQVWVPJ-CHWSQXEVSA-N -1 0 382.442 0.213 20 0 GCADRM CC(C)[C@H](CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)C(=O)[O-] ZINC001573489642 959002000 /nfs/dbraw/zinc/00/20/00/959002000.db2.gz HAXGTGFYIBRCOT-JBLDHEPKSA-N -1 0 378.472 0.249 20 0 GCADRM CS(=O)(=O)Nc1ccccc1CC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O 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-1 0 378.406 0.309 20 0 GCADRM C[C@@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC001588554040 959043734 /nfs/dbraw/zinc/04/37/34/959043734.db2.gz LOFUTRFLJPOIME-IUODEOHRSA-N -1 0 396.465 0.776 20 0 GCADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CCCCNC2=O)C1=O ZINC001605749423 972401279 /nfs/dbraw/zinc/40/12/79/972401279.db2.gz OQSMVZWVFLZKKR-RBSFLKMASA-N -1 0 388.424 0.381 20 0 GCADRM O=C([O-])[C@@H]1CC(C(=O)N[C@H]2CCN(c3cc(=O)[nH]cn3)C2)=NN1c1ccccc1 ZINC001605749516 972403092 /nfs/dbraw/zinc/40/30/92/972403092.db2.gz QMUBFUNBPCXRJO-WFASDCNBSA-N -1 0 396.407 0.597 20 0 GCADRM CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)CC1 ZINC001594186191 959127490 /nfs/dbraw/zinc/12/74/90/959127490.db2.gz WBYYCBAYVGLRRD-FZMZJTMJSA-N -1 0 382.486 0.900 20 0 GCADRM Cc1cn2nc(C(=O)N3C[C@H](C(=O)[O-])C[C@@H](c4cnn(C)c4)C3)cc2c(=O)[nH]1 ZINC001594426912 959133588 /nfs/dbraw/zinc/13/35/88/959133588.db2.gz QYZBHKATBGXYLY-VXGBXAGGSA-N -1 0 384.396 0.395 20 0 GCADRM O=C([O-])c1cncc(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC001605750918 972410738 /nfs/dbraw/zinc/41/07/38/972410738.db2.gz VGZZTEKRIOMKGJ-NSHDSACASA-N -1 0 385.423 0.798 20 0 GCADRM CC(C)S(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001573554134 959246713 /nfs/dbraw/zinc/24/67/13/959246713.db2.gz XXPSHCMLFGBCLQ-QWHCGFSZSA-N -1 0 386.474 0.443 20 0 GCADRM CC(C)Oc1ccc([C@H](O)CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001573554885 959250415 /nfs/dbraw/zinc/25/04/15/959250415.db2.gz KLCGBSRZRPLZIX-JKSUJKDBSA-N -1 0 378.425 0.947 20 0 GCADRM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC001588583775 959279499 /nfs/dbraw/zinc/27/94/99/959279499.db2.gz VCMRAAQHSRQBHE-TVQRCGJNSA-N -1 0 390.845 0.443 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594211856 959294296 /nfs/dbraw/zinc/29/42/96/959294296.db2.gz UTNLHDTYGGFPCN-XSXAOBSASA-N -1 0 386.445 0.789 20 0 GCADRM CC(C)n1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC001573568328 959297322 /nfs/dbraw/zinc/29/73/22/959297322.db2.gz FDUHQQVBFVKXJK-ZDUSSCGKSA-N -1 0 393.421 0.301 20 0 GCADRM C[C@@H](C(=O)[O-])N(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 ZINC001588585182 959299940 /nfs/dbraw/zinc/29/99/40/959299940.db2.gz XGIYKSRRJRURIF-ZDUSSCGKSA-N -1 0 375.429 0.370 20 0 GCADRM C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573574217 959315819 /nfs/dbraw/zinc/31/58/19/959315819.db2.gz NHFFCCKSSTZGGT-HIFRSBDPSA-N -1 0 376.409 0.948 20 0 GCADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001594215825 959328342 /nfs/dbraw/zinc/32/83/42/959328342.db2.gz JSMIPFBUTPSRQU-JIMOISOXSA-N -1 0 390.845 0.443 20 0 GCADRM C[C@H](C(=O)[O-])N(C1CC1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC001588593137 959366484 /nfs/dbraw/zinc/36/64/84/959366484.db2.gz XZBKWPDTBZEISQ-MRVPVSSYSA-N -1 0 376.818 0.830 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001594220853 959371095 /nfs/dbraw/zinc/37/10/95/959371095.db2.gz AHLZNHLCBVQONB-UTUOFQBUSA-N -1 0 377.463 0.625 20 0 GCADRM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001594221524 959379454 /nfs/dbraw/zinc/37/94/54/959379454.db2.gz BPDGCFUQVAKUHT-UTUOFQBUSA-N -1 0 377.463 0.625 20 0 GCADRM Cc1nnc([C@H]2CCCN(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)C2)[nH]1 ZINC001594452217 959384264 /nfs/dbraw/zinc/38/42/64/959384264.db2.gz XTGSRDURGJEHEW-STQMWFEESA-N -1 0 378.433 0.468 20 0 GCADRM CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000392198639 972424711 /nfs/dbraw/zinc/42/47/11/972424711.db2.gz GNDFTONCRSDNRB-CQSZACIVSA-N -1 0 390.483 0.618 20 0 GCADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001573588870 959389396 /nfs/dbraw/zinc/38/93/96/959389396.db2.gz ZBILQBIOIZVIDV-OAHLLOKOSA-N -1 0 399.451 0.268 20 0 GCADRM C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC001603250945 972424980 /nfs/dbraw/zinc/42/49/80/972424980.db2.gz UKBVOQBSKIHVDL-AXFHLTTASA-N -1 0 386.430 0.134 20 0 GCADRM C[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1)Cn1cccn1 ZINC001573591102 959395651 /nfs/dbraw/zinc/39/56/51/959395651.db2.gz DHSRNNSLAMYDGB-SCLBCKFNSA-N -1 0 396.444 0.726 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC001594223385 959396627 /nfs/dbraw/zinc/39/66/27/959396627.db2.gz AOEMYNJJTSOPEP-DYVFJYSZSA-N -1 0 381.454 0.276 20 0 GCADRM C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)[O-] ZINC001573600500 959437474 /nfs/dbraw/zinc/43/74/74/959437474.db2.gz SGBQONOTVSUJJX-JTQLQIEISA-N -1 0 390.845 0.811 20 0 GCADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001594228052 959447609 /nfs/dbraw/zinc/44/76/09/959447609.db2.gz DERHIXTXYONNSU-DFHBCGBQSA-N -1 0 396.465 0.871 20 0 GCADRM C[C@@H]1[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CCS1(=O)=O ZINC001594230825 959467709 /nfs/dbraw/zinc/46/77/09/959467709.db2.gz BZFPCEIAQDPEPL-GFQSEFKGSA-N -1 0 384.458 0.195 20 0 GCADRM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001594462095 959469160 /nfs/dbraw/zinc/46/91/60/959469160.db2.gz ZCAZXGQYGGIVIZ-MEBBXXQBSA-N -1 0 387.440 0.947 20 0 GCADRM C[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)N1C(=O)c2ccccc2C1=O ZINC001594233515 959492382 /nfs/dbraw/zinc/49/23/82/959492382.db2.gz RSORYOBJRUICSL-BXUZGUMPSA-N -1 0 387.392 0.253 20 0 GCADRM C[C@@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(=O)NCc1ccccc1 ZINC001573616983 959498669 /nfs/dbraw/zinc/49/86/69/959498669.db2.gz RLOXVVFJECLZBW-HIFRSBDPSA-N -1 0 390.440 0.456 20 0 GCADRM CC(C)(C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O)N1CCOCC1 ZINC001588609826 959499965 /nfs/dbraw/zinc/49/99/65/959499965.db2.gz GCDGSKZNKZWXSS-CVEARBPZSA-N -1 0 389.452 0.640 20 0 GCADRM Cc1oc(C)c(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1C(=O)[O-] ZINC000392263229 972435278 /nfs/dbraw/zinc/43/52/78/972435278.db2.gz JXUJRUDZURHBLT-LLVKDONJSA-N -1 0 394.471 0.545 20 0 GCADRM C[C@@H](NC(=O)c1cccn(CC(=O)[O-])c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001573625696 959538991 /nfs/dbraw/zinc/53/89/91/959538991.db2.gz SXDRAEHDEOUNSH-QAPCUYQASA-N -1 0 399.447 0.952 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)n1 ZINC001588621348 959542114 /nfs/dbraw/zinc/54/21/14/959542114.db2.gz FHNQJGNOUXUWAW-UHFFFAOYSA-N -1 0 395.437 0.650 20 0 GCADRM C[C@](NC(=O)c1cccn(CC(=O)[O-])c1=O)(C(N)=O)c1cccc(Cl)c1 ZINC001573626247 959542917 /nfs/dbraw/zinc/54/29/17/959542917.db2.gz ZPQWZXVZTGLZAQ-QGZVFWFLSA-N -1 0 377.784 0.717 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)n1 ZINC001588621638 959543701 /nfs/dbraw/zinc/54/37/01/959543701.db2.gz MOXNLHNMKRKZMN-HTQZYQBOSA-N -1 0 383.348 0.864 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC001588621717 959545108 /nfs/dbraw/zinc/54/51/08/959545108.db2.gz ODKLPHPYQZSUSM-ZDUSSCGKSA-N -1 0 384.396 0.762 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCNS(=O)(=O)c2ccccc2)n1 ZINC001588625971 959577591 /nfs/dbraw/zinc/57/75/91/959577591.db2.gz LJQYRLHAQVZMOF-UHFFFAOYSA-N -1 0 395.441 0.803 20 0 GCADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)n1 ZINC001588626779 959583581 /nfs/dbraw/zinc/58/35/81/959583581.db2.gz STOUQGONQWLGNR-UHFFFAOYSA-N -1 0 387.462 0.496 20 0 GCADRM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCOCCOCC(=O)[O-])C1 ZINC001588628190 959597688 /nfs/dbraw/zinc/59/76/88/959597688.db2.gz HELMGGGBBXSZSW-AWEZNQCLSA-N -1 0 387.477 0.688 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573636809 959599914 /nfs/dbraw/zinc/59/99/14/959599914.db2.gz UTICPSLVBLDRJP-IINYFYTJSA-N -1 0 398.462 0.790 20 0 GCADRM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccn(CC(=O)[O-])c2=O)C1 ZINC001588628896 959602875 /nfs/dbraw/zinc/60/28/75/959602875.db2.gz YNDMRBPXHGHKGI-CYBMUJFWSA-N -1 0 377.441 0.947 20 0 GCADRM CC(C)(C)C(=O)NCC(=O)OCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001588628933 959604171 /nfs/dbraw/zinc/60/41/71/959604171.db2.gz ZDCLFTLPUYEMLJ-ZDUSSCGKSA-N -1 0 379.413 0.289 20 0 GCADRM C[C@H](c1ccccc1)[C@H](NC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C(N)=O ZINC001573644316 959632907 /nfs/dbraw/zinc/63/29/07/959632907.db2.gz XTDLLAMHCCQMDC-INWMFGNUSA-N -1 0 390.440 0.409 20 0 GCADRM Cc1nn(C)c(C)c1OCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001594482317 959634227 /nfs/dbraw/zinc/63/42/27/959634227.db2.gz LKHPPQVJRFHRMQ-KGLIPLIRSA-N -1 0 375.429 0.866 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001573652827 959651275 /nfs/dbraw/zinc/65/12/75/959651275.db2.gz FDXLHPYZLRHZOY-WTANOLMUSA-N -1 0 378.400 0.653 20 0 GCADRM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001573653309 959656432 /nfs/dbraw/zinc/65/64/32/959656432.db2.gz ATMJURPBTNDPAR-ZFWWWQNUSA-N -1 0 394.472 0.398 20 0 GCADRM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001588638183 959667358 /nfs/dbraw/zinc/66/73/58/959667358.db2.gz FBFIQXFWMMNOQJ-HZSPNIEDSA-N -1 0 390.440 0.612 20 0 GCADRM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588640392 959684848 /nfs/dbraw/zinc/68/48/48/959684848.db2.gz XRJWALKQFGUAHG-QNGPIJNLSA-N -1 0 376.475 0.479 20 0 GCADRM CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1=O ZINC001573678216 959732673 /nfs/dbraw/zinc/73/26/73/959732673.db2.gz MJQFSONBBNJHLY-BJCXPLBRSA-N -1 0 381.429 0.626 20 0 GCADRM C[C@@]1(CS(=O)(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1(Cl)Cl ZINC001573683655 959741532 /nfs/dbraw/zinc/74/15/32/959741532.db2.gz HELUYAOYYJVLFH-SKDRFNHKSA-N -1 0 387.285 0.955 20 0 GCADRM Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001594267828 959756191 /nfs/dbraw/zinc/75/61/91/959756191.db2.gz LSSNXWIVCBEKGG-ZDUSSCGKSA-N -1 0 379.394 0.210 20 0 GCADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001603265566 972455991 /nfs/dbraw/zinc/45/59/91/972455991.db2.gz MQIDJFBGADRRBQ-SVDPJWKOSA-N -1 0 376.456 0.145 20 0 GCADRM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)NCCOCCOCC(=O)[O-] ZINC001573701275 959833512 /nfs/dbraw/zinc/83/35/12/959833512.db2.gz MBDWUDZIIGHXSG-OLZOCXBDSA-N -1 0 389.449 0.801 20 0 GCADRM CS(=O)(=O)NCCCNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000392287394 972464031 /nfs/dbraw/zinc/46/40/31/972464031.db2.gz MYPXXABAIWUVDN-UHFFFAOYSA-N -1 0 392.480 0.817 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000392298039 972466408 /nfs/dbraw/zinc/46/64/08/972466408.db2.gz WHARWRYAVLRJTF-UHFFFAOYSA-N -1 0 387.483 0.547 20 0 GCADRM CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC001604075964 972475805 /nfs/dbraw/zinc/47/58/05/972475805.db2.gz YIMDFTLEPIAJDQ-AWEZNQCLSA-N -1 0 385.442 0.073 20 0 GCADRM CN(C)S(=O)(=O)C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(F)(F)F ZINC001604075953 972474043 /nfs/dbraw/zinc/47/40/43/972474043.db2.gz XRFFLYJOKGHWGN-HMDXOVGESA-N -1 0 384.332 0.930 20 0 GCADRM CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001604075943 972474370 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ZINC001592846814 979622499 /nfs/dbraw/zinc/62/24/99/979622499.db2.gz CCFKTMBCTKNYKG-PXAZEXFGSA-N -1 0 391.359 0.341 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)Cn1nc2n(c1=O)CCCC2)C(=O)[O-] ZINC001592847121 979623965 /nfs/dbraw/zinc/62/39/65/979623965.db2.gz UASTZDDLYRCFEV-GOSISDBHSA-N -1 0 376.388 0.722 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592852742 979637704 /nfs/dbraw/zinc/63/77/04/979637704.db2.gz DSPBKJZMAJPUNF-CJNGLKHVSA-N -1 0 375.425 0.431 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1)C(=O)[O-] ZINC001592852794 979638406 /nfs/dbraw/zinc/63/84/06/979638406.db2.gz FHEDJEQDIRFZFJ-WBMJQRKESA-N -1 0 378.425 0.792 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1)C(=O)[O-] ZINC001592858212 979670714 /nfs/dbraw/zinc/67/07/14/979670714.db2.gz GBLIGPPMFPUDJT-LLVKDONJSA-N -1 0 380.426 0.600 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC001592858573 979673737 /nfs/dbraw/zinc/67/37/37/979673737.db2.gz KAHYQQRCLATPDC-NSHDSACASA-N -1 0 380.426 0.600 20 0 GCADRM CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592859119 979680465 /nfs/dbraw/zinc/68/04/65/979680465.db2.gz ZMFBRPWXMRUWPC-GFCCVEGCSA-N -1 0 384.454 0.828 20 0 GCADRM O=C([O-])[C@@H]1COCCN1C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000864119034 979713272 /nfs/dbraw/zinc/71/32/72/979713272.db2.gz UDTNTAPQCLIMHS-HNNXBMFYSA-N -1 0 382.438 0.471 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595171405 979736434 /nfs/dbraw/zinc/73/64/34/979736434.db2.gz HMNCTLNCDOSALR-XWAURUHHSA-N -1 0 393.531 0.742 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001595172561 979743558 /nfs/dbraw/zinc/74/35/58/979743558.db2.gz HVJYWJQNNOTIIM-UVMWJGKXSA-N -1 0 376.456 0.391 20 0 GCADRM CC[C@@H](CO)N1CCN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CC1 ZINC001595173886 979752398 /nfs/dbraw/zinc/75/23/98/979752398.db2.gz GWUXZGFEDSKPOL-UONOGXRCSA-N -1 0 387.477 0.660 20 0 GCADRM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001592909055 979869758 /nfs/dbraw/zinc/86/97/58/979869758.db2.gz OHDFKHBDOHFRIO-NSHDSACASA-N -1 0 380.426 0.600 20 0 GCADRM CC[C@](COC)(NC(=O)c1c(Br)nc2n1CCOC2)C(=O)[O-] ZINC001595189973 979880473 /nfs/dbraw/zinc/88/04/73/979880473.db2.gz ZSCPQKDLBNSVBY-CYBMUJFWSA-N -1 0 376.207 0.785 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC001592916280 979889098 /nfs/dbraw/zinc/88/90/98/979889098.db2.gz CZMJUWLLZGNUIP-MRXNPFEDSA-N -1 0 380.426 0.211 20 0 GCADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 ZINC000864208303 979891023 /nfs/dbraw/zinc/89/10/23/979891023.db2.gz AXCOZRIHFILKIT-VBHSOAQHSA-N -1 0 394.449 0.691 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)[O-] ZINC001592917762 979897322 /nfs/dbraw/zinc/89/73/22/979897322.db2.gz UGYISPWKNHLXHU-MRXNPFEDSA-N -1 0 377.401 0.097 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000864212513 979898282 /nfs/dbraw/zinc/89/82/82/979898282.db2.gz OZEVONIGAOISEU-GDBMZVCRSA-N -1 0 396.465 0.693 20 0 GCADRM CC[C@@](COC)(NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001595194982 979908135 /nfs/dbraw/zinc/90/81/35/979908135.db2.gz VYNQGIBYWMCXGQ-INIZCTEOSA-N -1 0 388.442 0.555 20 0 GCADRM CC[C@](COC)(NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC001595195680 979916320 /nfs/dbraw/zinc/91/63/20/979916320.db2.gz VXFSGZDVLUZBTD-FOIQADDNSA-N -1 0 397.516 0.953 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)C(=O)[O-] ZINC001592922671 979916914 /nfs/dbraw/zinc/91/69/14/979916914.db2.gz CBWGXDQSHHIORS-QGZVFWFLSA-N -1 0 391.453 0.604 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)[O-] ZINC001592922979 979919273 /nfs/dbraw/zinc/91/92/73/979919273.db2.gz FZJJNYTXOYNRAP-GOSISDBHSA-N -1 0 391.497 0.722 20 0 GCADRM C[C@@](Cn1cccn1)(NCC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592923332 979922408 /nfs/dbraw/zinc/92/24/08/979922408.db2.gz LOZJNMAHTPRHKE-KRWDZBQOSA-N -1 0 394.453 0.036 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC001595199169 979935918 /nfs/dbraw/zinc/93/59/18/979935918.db2.gz UYEUKGIUQDFRQU-CYBMUJFWSA-N -1 0 398.434 0.355 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC001595199275 979937634 /nfs/dbraw/zinc/93/76/34/979937634.db2.gz ZJLMWWFTBCLMMU-CQSZACIVSA-N -1 0 394.471 0.095 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)[O-] ZINC001592925312 979940736 /nfs/dbraw/zinc/94/07/36/979940736.db2.gz XYLQNPPGTULYED-ZWKOTPCHSA-N -1 0 385.380 0.211 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-] ZINC001592926039 979946488 /nfs/dbraw/zinc/94/64/88/979946488.db2.gz NHCUFSWTRIXHFV-AWEZNQCLSA-N -1 0 387.439 0.108 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)C(N)=O ZINC001592926671 979950176 /nfs/dbraw/zinc/95/01/76/979950176.db2.gz VDYGPIQDCLIOEV-CQSZACIVSA-N -1 0 386.817 0.457 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592929127 979953873 /nfs/dbraw/zinc/95/38/73/979953873.db2.gz CKZAOPVVDAWNNX-LLVKDONJSA-N -1 0 388.405 0.857 20 0 GCADRM C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-] ZINC001592929146 979953922 /nfs/dbraw/zinc/95/39/22/979953922.db2.gz CVKVFKPHYFXSHH-JSGCOSHPSA-N -1 0 379.438 0.773 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001592929128 979954285 /nfs/dbraw/zinc/95/42/85/979954285.db2.gz CKZAOPVVDAWNNX-NSHDSACASA-N -1 0 388.405 0.857 20 0 GCADRM C[C@H](Cn1ncc2ccccc21)C(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001592929148 979954293 /nfs/dbraw/zinc/95/42/93/979954293.db2.gz CVKVFKPHYFXSHH-TZMCWYRMSA-N -1 0 379.438 0.773 20 0 GCADRM CC[C@H](CS(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)OC ZINC001595203375 979964283 /nfs/dbraw/zinc/96/42/83/979964283.db2.gz QVFQFYYQLRDVTO-KOLCDFICSA-N -1 0 376.456 0.896 20 0 GCADRM C[C@@](Cn1cnc2ccccc21)(NC(=O)[C@@H]1CCCCS1(=O)=O)C(=O)[O-] ZINC001592930123 979965000 /nfs/dbraw/zinc/96/50/00/979965000.db2.gz HHRORILDPGAFFT-YOEHRIQHSA-N -1 0 379.438 0.963 20 0 GCADRM C[C@H](N(C)C(=O)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)C(C)(C)O ZINC001592950816 980032203 /nfs/dbraw/zinc/03/22/03/980032203.db2.gz RBUCIUNIFQOIMY-JTQLQIEISA-N -1 0 375.385 0.522 20 0 GCADRM CC[C@@H](NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C1CCOCC1 ZINC001595228558 980086172 /nfs/dbraw/zinc/08/61/72/980086172.db2.gz GPDYLKXNYDDVNC-QWHCGFSZSA-N -1 0 379.417 0.071 20 0 GCADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)C1CCOCC1 ZINC001595228560 980086454 /nfs/dbraw/zinc/08/64/54/980086454.db2.gz GPDYLKXNYDDVNC-STQMWFEESA-N -1 0 379.417 0.071 20 0 GCADRM C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592967569 980092057 /nfs/dbraw/zinc/09/20/57/980092057.db2.gz CXKRMUXCBGZEIX-DTWKUNHWSA-N -1 0 384.458 0.780 20 0 GCADRM C[C@H](N1CCN(C(=O)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CC1)C(F)(F)F ZINC001592969198 980099105 /nfs/dbraw/zinc/09/91/05/980099105.db2.gz RKBXEMKCMIJHBS-CMPLNLGQSA-N -1 0 379.379 0.699 20 0 GCADRM C[C@@H](N1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1)C(F)(F)F ZINC001592969576 980100070 /nfs/dbraw/zinc/10/00/70/980100070.db2.gz UFJYUXPYJSTSPA-QJPTWQEYSA-N -1 0 379.379 0.651 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N2CCOC2=O)cc1 ZINC001592969957 980103640 /nfs/dbraw/zinc/10/36/40/980103640.db2.gz AJVIHRKFKBPXOS-DGCLKSJQSA-N -1 0 375.381 0.754 20 0 GCADRM CC[C@H](NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCCCO1 ZINC001595231598 980104900 /nfs/dbraw/zinc/10/49/00/980104900.db2.gz WSUWGMBCCAUBRK-OBJOEFQTSA-N -1 0 379.417 0.214 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCOC2(CCOCC2)C1)c1ncc(C(=O)[O-])s1 ZINC001592970321 980112707 /nfs/dbraw/zinc/11/27/07/980112707.db2.gz FPKTVSOLGCHXKJ-JTQLQIEISA-N -1 0 383.426 0.427 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCOC2=O)C1)c1ncc(C(=O)[O-])s1 ZINC001592970623 980118922 /nfs/dbraw/zinc/11/89/22/980118922.db2.gz HUEPZFDWKJDWMB-DTWKUNHWSA-N -1 0 382.398 0.072 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ncc(C(=O)[O-])s1 ZINC001592970664 980121013 /nfs/dbraw/zinc/12/10/13/980121013.db2.gz INLQSEGPEJLHOG-AXFHLTTASA-N -1 0 383.426 0.425 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1c1nncn1C)c1ncc(C(=O)[O-])s1 ZINC001592970779 980123417 /nfs/dbraw/zinc/12/34/17/980123417.db2.gz KMEUKSFVFYWSHW-RKDXNWHRSA-N -1 0 378.414 0.511 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCC[C@@H]1c1nncn1C)c1ncc(C(=O)[O-])s1 ZINC001592970777 980123583 /nfs/dbraw/zinc/12/35/83/980123583.db2.gz KMEUKSFVFYWSHW-DTWKUNHWSA-N -1 0 378.414 0.511 20 0 GCADRM C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)c1cnn(C)c1 ZINC001592978502 980141045 /nfs/dbraw/zinc/14/10/45/980141045.db2.gz DGSBPBOOLISEKQ-NGZCFLSTSA-N -1 0 376.335 0.709 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCCCN1CCCCC1=O)c1ncc(C(=O)[O-])s1 ZINC001592979068 980144733 /nfs/dbraw/zinc/14/47/33/980144733.db2.gz NMEATZZBAZMLIA-SNVBAGLBSA-N -1 0 382.442 0.537 20 0 GCADRM 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GCADRM C[C@@H]1CN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599859489 989144514 /nfs/dbraw/zinc/14/45/14/989144514.db2.gz KPQVCHLGZLPHRE-ICCXJUOJSA-N -1 0 376.369 0.143 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599859649 989146852 /nfs/dbraw/zinc/14/68/52/989146852.db2.gz PCXUVNRIZUEFKX-WQVCFCJDSA-N -1 0 390.440 0.842 20 0 GCADRM CCc1noc(COCC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)n1 ZINC001597751385 989151749 /nfs/dbraw/zinc/15/17/49/989151749.db2.gz UOSXILLNFWDLFS-UHFFFAOYSA-N -1 0 376.369 0.992 20 0 GCADRM C[C@@H]1CN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C[C@H]1CC(=O)[O-] ZINC001599860286 989156453 /nfs/dbraw/zinc/15/64/53/989156453.db2.gz FDXSHARLMGRAKW-VXGBXAGGSA-N -1 0 385.442 0.467 20 0 GCADRM CCc1noc2ncc(S(=O)(=O)N3CC[C@@H](C(=O)OC)C[C@@H]3C(=O)[O-])cc12 ZINC001597754607 989160213 /nfs/dbraw/zinc/16/02/13/989160213.db2.gz MJYVUFWKDDEQHY-NOZJJQNGSA-N -1 0 397.409 0.812 20 0 GCADRM 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CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc(C(=O)[O-])nn2)C1 ZINC001590091023 989204904 /nfs/dbraw/zinc/20/49/04/989204904.db2.gz BNRMBUZQSQMMAJ-GTNSWQLSSA-N -1 0 379.417 0.882 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001590091566 989208422 /nfs/dbraw/zinc/20/84/22/989208422.db2.gz MKXCLNINXVHOOS-IQUTYRLHSA-N -1 0 398.456 0.962 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](O)C1 ZINC001590091710 989211411 /nfs/dbraw/zinc/21/14/11/989211411.db2.gz UGEGSOYDOCKKPY-VHSXEESVSA-N -1 0 390.414 0.484 20 0 GCADRM C[C@@H]1CN(C(=O)c2nn(C)cc2I)C[C@@H](C(=O)[O-])O1 ZINC001599864549 989222904 /nfs/dbraw/zinc/22/29/04/989222904.db2.gz RXKFQJGYDIFSLA-SVRRBLITSA-N -1 0 379.154 0.339 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001590098121 989229643 /nfs/dbraw/zinc/22/96/43/989229643.db2.gz SDTGZRNBGPOTIC-SUFBMKPHSA-N -1 0 394.428 0.405 20 0 GCADRM 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/nfs/dbraw/zinc/80/93/83/994809383.db2.gz NSPKNLUQBUGESU-TZMCWYRMSA-N -1 0 398.437 0.002 20 0 GCADRM CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](Cc2cncs2)C(=O)[O-])cc1 ZINC001598673965 994809797 /nfs/dbraw/zinc/80/97/97/994809797.db2.gz KXDRBJCYRAYYNH-CQSZACIVSA-N -1 0 397.478 0.796 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001598674083 994810265 /nfs/dbraw/zinc/81/02/65/994810265.db2.gz OMHINJKYHHWBJJ-CQSZACIVSA-N -1 0 383.470 0.937 20 0 GCADRM CNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC001598674116 994810549 /nfs/dbraw/zinc/81/05/49/994810549.db2.gz PFXSPQOMEOCUFU-OAHLLOKOSA-N -1 0 377.422 0.864 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)N[C@](C)(COC)CC(=O)[O-])ccc1F ZINC001598674164 994811414 /nfs/dbraw/zinc/81/14/14/994811414.db2.gz JVMCXLFEVWWTCS-AWEZNQCLSA-N -1 0 377.394 0.735 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)N[C@@](C)(COC)CC(=O)[O-])ccc1F ZINC001598674165 994811579 /nfs/dbraw/zinc/81/15/79/994811579.db2.gz JVMCXLFEVWWTCS-CQSZACIVSA-N -1 0 377.394 0.735 20 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994837399 /nfs/dbraw/zinc/83/73/99/994837399.db2.gz CGPRPKSNOKUIMJ-UHFFFAOYSA-N -1 0 376.456 0.269 20 0 GCADRM CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001598675645 994838921 /nfs/dbraw/zinc/83/89/21/994838921.db2.gz HGJRDAMCYFBEKA-AWEZNQCLSA-N -1 0 393.469 0.844 20 0 GCADRM CNS(=O)(=O)c1ccccc1N1CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001598675946 994843766 /nfs/dbraw/zinc/84/37/66/994843766.db2.gz QHMAYLKJNWVEMG-UHFFFAOYSA-N -1 0 377.426 0.410 20 0 GCADRM CNS(=O)(=O)c1cccc(S(=O)(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1 ZINC001598676018 994844905 /nfs/dbraw/zinc/84/49/05/994844905.db2.gz UTUHJDLZPZAINO-UHFFFAOYSA-N -1 0 388.467 0.755 20 0 GCADRM CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2 ZINC001598676078 994845937 /nfs/dbraw/zinc/84/59/37/994845937.db2.gz WLCHPKUDFMKCSB-YPMHNXCESA-N -1 0 381.454 0.916 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001598676082 994846198 /nfs/dbraw/zinc/84/61/98/994846198.db2.gz WQAZPACMITVZKG-LBPRGKRZSA-N -1 0 396.446 0.972 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])c1 ZINC001598676229 994848935 /nfs/dbraw/zinc/84/89/35/994848935.db2.gz BFJFHFZKVGIWMR-MRXNPFEDSA-N -1 0 390.417 0.952 20 0 GCADRM C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001593319716 994849258 /nfs/dbraw/zinc/84/92/58/994849258.db2.gz RCFAGKUIRSXLPL-NSHDSACASA-N -1 0 390.483 0.782 20 0 GCADRM CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001598676991 994861678 /nfs/dbraw/zinc/86/16/78/994861678.db2.gz OAKHAEVGAPWLTL-UHFFFAOYSA-N -1 0 383.426 0.437 20 0 GCADRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cccc(S(N)(=O)=O)c1 ZINC001593325320 994866409 /nfs/dbraw/zinc/86/64/09/994866409.db2.gz JDNOPONFBGSQCY-SNVBAGLBSA-N -1 0 391.471 0.026 20 0 GCADRM CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001598677334 994868318 /nfs/dbraw/zinc/86/83/18/994868318.db2.gz UNFFPOPROICRFT-SNVBAGLBSA-N -1 0 378.472 0.686 20 0 GCADRM CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001598677489 994870441 /nfs/dbraw/zinc/87/04/41/994870441.db2.gz PYRJLNCXJHPHEX-ZDUSSCGKSA-N -1 0 398.462 0.569 20 0 GCADRM CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1 ZINC001598677474 994870498 /nfs/dbraw/zinc/87/04/98/994870498.db2.gz WMCORCVPURZAIY-AAEUAGOBSA-N -1 0 384.410 0.073 20 0 GCADRM COc1cccc(CNC(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1OC ZINC001599674571 994875644 /nfs/dbraw/zinc/87/56/44/994875644.db2.gz OWEZLHVWXVCDQY-UONOGXRCSA-N -1 0 376.409 0.889 20 0 GCADRM C[C@@H](NS(=O)(=O)N(C)CCC(=O)[O-])c1ccc(N2CCCNC2=O)cc1 ZINC001593326387 994876287 /nfs/dbraw/zinc/87/62/87/994876287.db2.gz TYKMJLDZXMOEFX-GFCCVEGCSA-N -1 0 384.458 0.908 20 0 GCADRM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001593326735 994881378 /nfs/dbraw/zinc/88/13/78/994881378.db2.gz ZBHFMZQZERUBCF-WFASDCNBSA-N -1 0 394.453 0.676 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1nnnn1C ZINC001593327407 994888235 /nfs/dbraw/zinc/88/82/35/994888235.db2.gz ZTDHQQCNTKULIL-ZCFIWIBFSA-N -1 0 379.320 0.967 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001593336708 994917094 /nfs/dbraw/zinc/91/70/94/994917094.db2.gz BHJLJFJKBDQKGL-JTQLQIEISA-N -1 0 385.442 0.164 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1nnc2c(=O)[nH]ccn21 ZINC001593337402 994921483 /nfs/dbraw/zinc/92/14/83/994921483.db2.gz LCNLVONVTFREDS-ISGFRBBESA-N -1 0 389.393 0.555 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1nnnn1C1CC1 ZINC001593338754 994929192 /nfs/dbraw/zinc/92/91/92/994929192.db2.gz CAPXENNBPDDARM-JTQLQIEISA-N -1 0 381.414 0.901 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001593344356 994939037 /nfs/dbraw/zinc/93/90/37/994939037.db2.gz AXJKTGNHBITVFD-CYBMUJFWSA-N -1 0 394.453 0.243 20 0 GCADRM COc1cccc(NC(=O)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1OC ZINC001599678702 994942454 /nfs/dbraw/zinc/94/24/54/994942454.db2.gz OFDOBUIMBFSUNJ-LBPRGKRZSA-N -1 0 379.413 0.650 20 0 GCADRM CNc1nnc(CC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)s1 ZINC001598682267 994947948 /nfs/dbraw/zinc/94/79/48/994947948.db2.gz BUVAPCKSYPMSEI-UHFFFAOYSA-N -1 0 398.466 0.438 20 0 GCADRM COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2)c1 ZINC001599679063 994948175 /nfs/dbraw/zinc/94/81/75/994948175.db2.gz QOBISXRBWXJJLO-INIZCTEOSA-N -1 0 388.376 0.888 20 0 GCADRM COc1cccc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1OC ZINC001599679253 994952188 /nfs/dbraw/zinc/95/21/88/994952188.db2.gz XLAMIFPIDCWNQT-GFCCVEGCSA-N -1 0 379.413 0.650 20 0 GCADRM COc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1OC ZINC001599679254 994952562 /nfs/dbraw/zinc/95/25/62/994952562.db2.gz XLAMIFPIDCWNQT-LBPRGKRZSA-N -1 0 379.413 0.650 20 0 GCADRM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001593347304 994952934 /nfs/dbraw/zinc/95/29/34/994952934.db2.gz FMKGEALAZVASTN-TZMCWYRMSA-N -1 0 394.453 0.289 20 0 GCADRM 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ZINC001593348278 994964389 /nfs/dbraw/zinc/96/43/89/994964389.db2.gz YZHVDFFHCAELJP-SECBINFHSA-N -1 0 391.409 0.905 20 0 GCADRM COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001598683857 994975673 /nfs/dbraw/zinc/97/56/73/994975673.db2.gz JUHKILNAKSJEOM-UHFFFAOYSA-N -1 0 394.833 0.889 20 0 GCADRM COc1cccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c1OC ZINC001599681109 994983126 /nfs/dbraw/zinc/98/31/26/994983126.db2.gz INWMWUGJPZKTFX-UHFFFAOYSA-N -1 0 388.442 0.111 20 0 GCADRM COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC001598684520 994986354 /nfs/dbraw/zinc/98/63/54/994986354.db2.gz ZOCYKNDJRVUMBA-UHFFFAOYSA-N -1 0 388.417 0.782 20 0 GCADRM COc1cccc(OC)c1OC[C@H](O)CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001599681788 994994603 /nfs/dbraw/zinc/99/46/03/994994603.db2.gz FPNZGLMXYFCQQI-CHWSQXEVSA-N -1 0 382.413 0.109 20 0 GCADRM COc1cccc(OC)c1OC[C@H](O)CN1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001599681800 994994638 /nfs/dbraw/zinc/99/46/38/994994638.db2.gz 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COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805150 996178162 /nfs/dbraw/zinc/17/81/62/996178162.db2.gz ZFBLNAKEWRZYNW-CABCVRRESA-N -1 0 376.409 0.410 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)C[C@@H]1C(=O)[O-] ZINC001598805476 996181783 /nfs/dbraw/zinc/18/17/83/996181783.db2.gz CSYITMXOMWKKNR-LYFYHCNISA-N -1 0 380.279 0.665 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)C[C@H]1C(=O)[O-] ZINC001598805460 996181955 /nfs/dbraw/zinc/18/19/55/996181955.db2.gz CJWZORBJZLVAJE-BYNQJWBRSA-N -1 0 380.401 0.155 20 0 GCADRM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593704925 996186317 /nfs/dbraw/zinc/18/63/17/996186317.db2.gz FCHFBYMMHIRLFG-GDBMZVCRSA-N -1 0 389.452 0.988 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C[C@H]1C(=O)[O-] ZINC001598805947 996186729 /nfs/dbraw/zinc/18/67/29/996186729.db2.gz GBMXGYCRTYACOB-BPLDGKMQSA-N -1 0 395.456 0.683 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCc2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598806090 996188395 /nfs/dbraw/zinc/18/83/95/996188395.db2.gz BJUHINWNWPEQAM-ZIAGYGMSSA-N -1 0 392.408 0.906 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C(=O)[O-] ZINC001598806246 996189383 /nfs/dbraw/zinc/18/93/83/996189383.db2.gz FYUMCZJEUOIPBF-OAGGEKHMSA-N -1 0 393.440 0.813 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001598806243 996189424 /nfs/dbraw/zinc/18/94/24/996189424.db2.gz CJGVVMPQHOCUHN-UONOGXRCSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C[C@H]1C(=O)[O-] ZINC001598806219 996189566 /nfs/dbraw/zinc/18/95/66/996189566.db2.gz FUBGIDANWYNSLC-KGLIPLIRSA-N -1 0 393.396 0.399 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598806644 996193479 /nfs/dbraw/zinc/19/34/79/996193479.db2.gz IEAZYIALVLAWOD-BZUAXINKSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598806712 996194248 /nfs/dbraw/zinc/19/42/48/996194248.db2.gz FIDUMIPDLLTZEJ-BETUJISGSA-N -1 0 394.380 0.497 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCn2nc(C(F)(F)F)cc2C)C[C@@H]1C(=O)[O-] ZINC001598806842 996195505 /nfs/dbraw/zinc/19/55/05/996195505.db2.gz GEITVESUGKANFK-VHSXEESVSA-N -1 0 392.334 0.726 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598806970 996196161 /nfs/dbraw/zinc/19/61/61/996196161.db2.gz JSQQPQLZUJXHFX-SQWLQELKSA-N -1 0 394.399 0.531 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)c2ccc(F)cc2O1 ZINC001598806916 996196268 /nfs/dbraw/zinc/19/62/68/996196268.db2.gz IOTXQRAVPQKADL-CQSZACIVSA-N -1 0 390.323 0.653 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)C[C@H]1C(=O)[O-] ZINC001598806950 996196311 /nfs/dbraw/zinc/19/63/11/996196311.db2.gz JHPHUEUGBGPEMO-UTUOFQBUSA-N -1 0 398.437 0.463 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807230 996198586 /nfs/dbraw/zinc/19/85/86/996198586.db2.gz HVRYZVGWTCURQX-WDEREUQCSA-N -1 0 385.417 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)C[C@H]1C(=O)[O-] ZINC001598807371 996199793 /nfs/dbraw/zinc/19/97/93/996199793.db2.gz MEAXJTVCASZDFJ-FMKPAKJESA-N -1 0 387.392 0.543 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@@H]1C(=O)[O-] ZINC001598807671 996202038 /nfs/dbraw/zinc/20/20/38/996202038.db2.gz JNIIFFKDNUOVSU-KBPBESRZSA-N -1 0 391.428 0.400 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598807809 996203384 /nfs/dbraw/zinc/20/33/84/996203384.db2.gz NJBHYTVSRMRSEX-BBBLOLIVSA-N -1 0 394.371 0.867 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)C[C@H]1C(=O)[O-] ZINC001598808280 996207592 /nfs/dbraw/zinc/20/75/92/996207592.db2.gz DORYQTSCTDNZQS-OLZOCXBDSA-N -1 0 391.376 0.753 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)C[C@@H]1C(=O)[O-] ZINC001598808373 996208220 /nfs/dbraw/zinc/20/82/20/996208220.db2.gz OVYYQQZYNCWKOM-SOUVJXGZSA-N -1 0 398.419 0.840 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2c(C(F)(F)F)cnn2C)C[C@@H]1C(=O)[O-] ZINC001598808478 996209339 /nfs/dbraw/zinc/20/93/39/996209339.db2.gz MGPNQEGBZQLMKN-YUMQZZPRSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@]2(C)OCCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808473 996209415 /nfs/dbraw/zinc/20/94/15/996209415.db2.gz MGBIAWIKKDHIKO-LPMFXHHGSA-N -1 0 376.409 0.990 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN(C)C(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598809051 996214473 /nfs/dbraw/zinc/21/44/73/996214473.db2.gz GQIWCUNYFXLIJZ-KGLIPLIRSA-N -1 0 378.381 0.587 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c2ccc(F)cc2O1 ZINC001598809200 996215721 /nfs/dbraw/zinc/21/57/21/996215721.db2.gz GVZNUVPZMZODEE-RISCZKNCSA-N -1 0 394.355 0.416 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C[C@H]1C(=O)[O-] ZINC001598809253 996216291 /nfs/dbraw/zinc/21/62/91/996216291.db2.gz HCDKHBLBQNPUJB-MNOVXSKESA-N -1 0 396.783 0.398 20 0 GCADRM C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001593712871 996216763 /nfs/dbraw/zinc/21/67/63/996216763.db2.gz GUVKCFKADYJLGE-ACWOFJMJSA-N -1 0 380.416 0.678 20 0 GCADRM C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001593712872 996216867 /nfs/dbraw/zinc/21/68/67/996216867.db2.gz GUVKCFKADYJLGE-AZOIQLNYSA-N -1 0 380.416 0.678 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598809498 996218536 /nfs/dbraw/zinc/21/85/36/996218536.db2.gz SFLXGIGHHOLPIQ-STQMWFEESA-N -1 0 399.440 0.847 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CC(N(C)C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598809575 996219154 /nfs/dbraw/zinc/21/91/54/996219154.db2.gz SOHBACOMKUEEAP-TUUUFIMRSA-N -1 0 384.429 0.964 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2F)C[C@H]1C(=O)[O-] ZINC001598809725 996220486 /nfs/dbraw/zinc/22/04/86/996220486.db2.gz QTSYKEHBRBRHRO-VXGBXAGGSA-N -1 0 381.360 0.071 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@H]1C(=O)[O-] ZINC001598809855 996221817 /nfs/dbraw/zinc/22/18/17/996221817.db2.gz UDLDNDIPJLUCAF-OLZOCXBDSA-N -1 0 383.445 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598809950 996222341 /nfs/dbraw/zinc/22/23/41/996222341.db2.gz RRWIADDYTPDPFK-YNEHKIRRSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598809917 996222412 /nfs/dbraw/zinc/22/24/12/996222412.db2.gz VASMIKNLARBYCL-JHXTVGTDSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598811047 996231858 /nfs/dbraw/zinc/23/18/58/996231858.db2.gz XTTKXUAPFNLNLD-UTUOFQBUSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccnc2N2CCOCC2)C[C@@H]1C(=O)[O-] ZINC001598811263 996233895 /nfs/dbraw/zinc/23/38/95/996233895.db2.gz APNUMVINPJOZPP-RYUDHWBXSA-N -1 0 378.385 0.256 20 0 GCADRM C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001593717644 996236294 /nfs/dbraw/zinc/23/62/94/996236294.db2.gz OPFHGYRGLXSXHX-FZMZJTMJSA-N -1 0 379.388 0.719 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C(=O)[O-] ZINC001598811900 996238986 /nfs/dbraw/zinc/23/89/86/996238986.db2.gz XLNBJYFYKYVRFB-STQMWFEESA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)C[C@H]1C(=O)[O-] ZINC001598811878 996239022 /nfs/dbraw/zinc/23/90/22/996239022.db2.gz ZZITVHNWIQEZPE-NQBHXWOUSA-N -1 0 382.438 0.835 20 0 GCADRM C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])nn2)C1=O ZINC001593718110 996239122 /nfs/dbraw/zinc/23/91/22/996239122.db2.gz XRQLTPLHORRFGA-BXUZGUMPSA-N -1 0 389.387 0.984 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](n2cccn2)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598812010 996239516 /nfs/dbraw/zinc/23/95/16/996239516.db2.gz YAEALEAJVYUELQ-BBBLOLIVSA-N -1 0 378.307 0.502 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598812187 996241358 /nfs/dbraw/zinc/24/13/58/996241358.db2.gz ZMINABORPDZTDW-BBBLOLIVSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598812422 996242807 /nfs/dbraw/zinc/24/28/07/996242807.db2.gz PIWDFQFYTAVFGE-ZIAGYGMSSA-N -1 0 383.422 0.355 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598812771 996245943 /nfs/dbraw/zinc/24/59/43/996245943.db2.gz DTOHZLLQQBXCPQ-NWDGAFQWSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598813562 996250773 /nfs/dbraw/zinc/25/07/73/996250773.db2.gz GRIGBGDANXMGDM-VXGBXAGGSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C[C@H]1C(=O)[O-] ZINC001598814090 996254403 /nfs/dbraw/zinc/25/44/03/996254403.db2.gz XAMZGUREDOJHSV-ZJUUUORDSA-N -1 0 398.318 0.337 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CNC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC001598814479 996258363 /nfs/dbraw/zinc/25/83/63/996258363.db2.gz YLLLYYCMJUNVES-CABCVRRESA-N -1 0 389.408 0.087 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(C)nn2Cc2ccccn2)C[C@@H]1C(=O)[O-] ZINC001598814562 996258992 /nfs/dbraw/zinc/25/89/92/996258992.db2.gz IYGMPDRYHYFJOH-KBPBESRZSA-N -1 0 387.396 0.972 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)C[C@@H]1C(=O)[O-] ZINC001598815171 996264249 /nfs/dbraw/zinc/26/42/49/996264249.db2.gz KYQQKOUFIGOOPP-WDEREUQCSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598815337 996265750 /nfs/dbraw/zinc/26/57/50/996265750.db2.gz OYURTHSIYAZZNT-JHXTVGTDSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@@H]1C(=O)[O-] ZINC001598816619 996277211 /nfs/dbraw/zinc/27/72/11/996277211.db2.gz SPPROFMPVWQLPS-KBPBESRZSA-N -1 0 387.396 0.858 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)C[C@H]1C(=O)[O-] ZINC001598816612 996277305 /nfs/dbraw/zinc/27/73/05/996277305.db2.gz SNRVJHGRAHSBOF-NFWAQSGPSA-N -1 0 377.393 0.420 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1C(=O)[O-] ZINC001598816708 996278166 /nfs/dbraw/zinc/27/81/66/996278166.db2.gz SZVUHCXKMCDEAP-HTQZYQBOSA-N -1 0 386.202 0.995 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598817086 996282050 /nfs/dbraw/zinc/28/20/50/996282050.db2.gz VCIGVJNGWVGPDP-VXGBXAGGSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C[C@H]1C(=O)[O-] ZINC001598817493 996286440 /nfs/dbraw/zinc/28/64/40/996286440.db2.gz USOYEQZDONEYQS-NEPJUHHUSA-N -1 0 399.425 0.704 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001598817582 996286770 /nfs/dbraw/zinc/28/67/70/996286770.db2.gz GYNVQIWXOPXQAX-SNVBAGLBSA-N -1 0 383.426 0.256 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598817902 996291144 /nfs/dbraw/zinc/29/11/44/996291144.db2.gz WTLDRQLWJBQXOD-MXWKQRLJSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccn(-c3ncccc3F)n2)C[C@H]1C(=O)[O-] ZINC001598818339 996295839 /nfs/dbraw/zinc/29/58/39/996295839.db2.gz YTDOVOROIRVYMS-NXEZZACHSA-N -1 0 377.332 0.744 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001598818920 996302811 /nfs/dbraw/zinc/30/28/11/996302811.db2.gz MSVVRGRUTOWGQG-JTQLQIEISA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC001598818969 996303106 /nfs/dbraw/zinc/30/31/06/996303106.db2.gz MVJPGNPIKBNFTO-RAIGVLPGSA-N -1 0 380.397 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2ccccc2NS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598819142 996304850 /nfs/dbraw/zinc/30/48/50/996304850.db2.gz ZRXOIAYEYJAZQO-VXGBXAGGSA-N -1 0 399.425 0.073 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Br)cnc2F)C[C@@H]1C(=O)[O-] ZINC001598819952 996313813 /nfs/dbraw/zinc/31/38/13/996313813.db2.gz VOZYDCDOHZZQCF-IUCAKERBSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnc3c(F)cc(F)cc3c2O)C[C@@H]1C(=O)[O-] ZINC001598819993 996314786 /nfs/dbraw/zinc/31/47/86/996314786.db2.gz DXDVITALGJFGFK-WDEREUQCSA-N -1 0 380.303 0.752 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC001598820355 996319126 /nfs/dbraw/zinc/31/91/26/996319126.db2.gz WOSFKUPQEQYAGK-MNOVXSKESA-N -1 0 389.813 0.689 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc(N)c2N)C[C@H]1C(=O)[O-] ZINC001598821196 996328934 /nfs/dbraw/zinc/32/89/34/996328934.db2.gz ZDXPDSUXDGFDOS-RKDXNWHRSA-N -1 0 386.202 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)C[C@H]1C(=O)[O-] ZINC001598822890 996349546 /nfs/dbraw/zinc/34/95/46/996349546.db2.gz UDKVWLHNXFTQSE-VXGBXAGGSA-N -1 0 376.344 0.661 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@@H]1C(=O)[O-] ZINC001598823378 996355272 /nfs/dbraw/zinc/35/52/72/996355272.db2.gz CFWVVYHGEMABJN-NWDGAFQWSA-N -1 0 380.378 0.022 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@H]1C(=O)[O-] ZINC001598823984 996361302 /nfs/dbraw/zinc/36/13/02/996361302.db2.gz FHRGXGDNQIZLOD-RKDXNWHRSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C[C@H]1C(=O)[O-] ZINC001598824025 996361660 /nfs/dbraw/zinc/36/16/60/996361660.db2.gz FTJIYUHCUSPHEA-CHWSQXEVSA-N -1 0 396.421 0.456 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cncc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598824638 996369303 /nfs/dbraw/zinc/36/93/03/996369303.db2.gz AJKSOVXWSQBSKS-NXEZZACHSA-N -1 0 393.215 0.338 20 0 GCADRM C[C@]1(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)Oc2ccccc2NC1=O ZINC001593748553 996381112 /nfs/dbraw/zinc/38/11/12/996381112.db2.gz XZVDJDJVOUMRQV-RBUKOAKNSA-N -1 0 389.408 0.164 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C)n2C[C@@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598826527 996388832 /nfs/dbraw/zinc/38/88/32/996388832.db2.gz ILCYCJVXKAHOFD-ODXJTPSBSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C)n2C[C@H]2CCCO2)C[C@H]1C(=O)[O-] ZINC001598826529 996388838 /nfs/dbraw/zinc/38/88/38/996388838.db2.gz ILCYCJVXKAHOFD-RYMFRWLXSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001598826620 996390045 /nfs/dbraw/zinc/39/00/45/996390045.db2.gz JPGSZWWIMZGADV-LBPRGKRZSA-N -1 0 376.818 0.564 20 0 GCADRM C[C@]1(C(=O)NC[C@H](O)CC(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC001593749701 996390348 /nfs/dbraw/zinc/39/03/48/996390348.db2.gz SSTJBYCAZMOWEW-HBUWYVDXSA-N -1 0 380.397 0.100 20 0 GCADRM COC(=O)[C@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598827288 996396874 /nfs/dbraw/zinc/39/68/74/996396874.db2.gz KHOAINSLPMGRPQ-UWVGGRQHSA-N -1 0 376.818 0.293 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598827488 996398925 /nfs/dbraw/zinc/39/89/25/996398925.db2.gz QZYJPWAAKZAGNI-KBPBESRZSA-N -1 0 384.410 0.164 20 0 GCADRM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598828393 996409597 /nfs/dbraw/zinc/40/95/97/996409597.db2.gz CARLVAQGQSEVPV-GJZGRUSLSA-N -1 0 390.392 0.142 20 0 GCADRM COC(=O)[C@@H]1CN(c2ncccc2I)C[C@@H]1C(=O)[O-] ZINC001598829647 996422490 /nfs/dbraw/zinc/42/24/90/996422490.db2.gz VEJPNZPDPYOFKD-JGVFFNPUSA-N -1 0 376.150 0.996 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC001593761624 996423256 /nfs/dbraw/zinc/42/32/56/996423256.db2.gz BWYXXIQICJGYNT-QMTHXVAHSA-N -1 0 376.335 0.816 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC001593762639 996432762 /nfs/dbraw/zinc/43/27/62/996432762.db2.gz PTKUXVUTRFKGSO-HNAYVOBHSA-N -1 0 381.473 0.413 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCCN(c3nccs3)CC2)C1 ZINC001593763062 996436159 /nfs/dbraw/zinc/43/61/59/996436159.db2.gz ZEWBVTSHBWFGSE-KRWDZBQOSA-N -1 0 380.470 0.895 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCCN(c3nccs3)CC2)C1 ZINC001593763063 996436410 /nfs/dbraw/zinc/43/64/10/996436410.db2.gz ZEWBVTSHBWFGSE-QGZVFWFLSA-N -1 0 380.470 0.895 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC001593764355 996438297 /nfs/dbraw/zinc/43/82/97/996438297.db2.gz GIHVGVGABCRCEF-QGZVFWFLSA-N -1 0 382.438 0.420 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598831204 996439037 /nfs/dbraw/zinc/43/90/37/996439037.db2.gz RGAGHKBRCNFKJR-WMZOPIPTSA-N -1 0 390.436 0.270 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)C1 ZINC001593765323 996441134 /nfs/dbraw/zinc/44/11/34/996441134.db2.gz QPQDGLADCQJLPQ-SCLBCKFNSA-N -1 0 379.388 0.513 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)C1 ZINC001593765512 996441529 /nfs/dbraw/zinc/44/15/29/996441529.db2.gz SAFNERITMNXCLY-KBXCAEBGSA-N -1 0 375.381 0.563 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)C1 ZINC001593765515 996441749 /nfs/dbraw/zinc/44/17/49/996441749.db2.gz SAFNERITMNXCLY-KDOFPFPSSA-N -1 0 375.381 0.563 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 ZINC001593765772 996442976 /nfs/dbraw/zinc/44/29/76/996442976.db2.gz WMKLAJHPJJMSHJ-LIRRHRJNSA-N -1 0 393.415 0.442 20 0 GCADRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSC[C@H](NC(C)=O)C(=O)[O-] ZINC001598831897 996445633 /nfs/dbraw/zinc/44/56/33/996445633.db2.gz YGAGATUJSDOCHU-LSDHHAIUSA-N -1 0 394.449 0.435 20 0 GCADRM COC(=O)CC(C)(C)NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001598834219 996467925 /nfs/dbraw/zinc/46/79/25/996467925.db2.gz QXJXEXVFVHKDQO-UHFFFAOYSA-N -1 0 379.412 0.853 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C1 ZINC001593772526 996467942 /nfs/dbraw/zinc/46/79/42/996467942.db2.gz CJTAWKXZOXBBDG-INIZCTEOSA-N -1 0 391.409 0.425 20 0 GCADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001598834324 996468704 /nfs/dbraw/zinc/46/87/04/996468704.db2.gz IHJVTHYMVBTNPQ-PRZVWEGYSA-N -1 0 384.410 0.129 20 0 GCADRM COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC001598834895 996475271 /nfs/dbraw/zinc/47/52/71/996475271.db2.gz RXVRLZDUKDWFAN-MRZGDXHCSA-N -1 0 396.421 0.227 20 0 GCADRM COC(=O)C[C@@](C)(NS(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001598835369 996478963 /nfs/dbraw/zinc/47/89/63/996478963.db2.gz GOQABZWQRIFQTD-CQSZACIVSA-N -1 0 385.423 0.993 20 0 GCADRM COC(=O)C[C@](C)(NS(=O)(=O)c1scnc1C(=O)[O-])c1ccccn1 ZINC001598835368 996479128 /nfs/dbraw/zinc/47/91/28/996479128.db2.gz GOQABZWQRIFQTD-AWEZNQCLSA-N -1 0 385.423 0.993 20 0 GCADRM COC(=O)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] ZINC001598836527 996489812 /nfs/dbraw/zinc/48/98/12/996489812.db2.gz DWIKCXUPCIPXSM-JSGCOSHPSA-N -1 0 398.437 0.220 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)C1 ZINC001593783066 996492060 /nfs/dbraw/zinc/49/20/60/996492060.db2.gz IUFGDGMQNXWVSX-IBGZPJMESA-N -1 0 385.420 0.323 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)NCc2ccccc2CS(C)(=O)=O)C1 ZINC001593783226 996493436 /nfs/dbraw/zinc/49/34/36/996493436.db2.gz HGQSSBJYMHBYFV-KRWDZBQOSA-N -1 0 382.438 0.171 20 0 GCADRM COC(=O)C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC001598837133 996495058 /nfs/dbraw/zinc/49/50/58/996495058.db2.gz MNFXUTBQTNHHST-LBPRGKRZSA-N -1 0 379.365 0.943 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(c2nnc([C@@]3(O)CCOC3)n2C[C@@H]2CCOC2)C1 ZINC001593783690 996497354 /nfs/dbraw/zinc/49/73/54/996497354.db2.gz QFZKPMZIKMAFGG-DOPJRALCSA-N -1 0 380.445 0.614 20 0 GCADRM COC(=O)C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1ccc(F)cc1 ZINC001598837830 996500638 /nfs/dbraw/zinc/50/06/38/996500638.db2.gz QZTCJDVDSKOVGA-ZIAGYGMSSA-N -1 0 380.372 0.869 20 0 GCADRM COC(=O)C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccc(F)cc1 ZINC001598837826 996500782 /nfs/dbraw/zinc/50/07/82/996500782.db2.gz QZTCJDVDSKOVGA-KBPBESRZSA-N -1 0 380.372 0.869 20 0 GCADRM COC(=O)C[C@H](NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C)C(=O)[O-] ZINC001598838662 996506561 /nfs/dbraw/zinc/50/65/61/996506561.db2.gz ZFTCKUDJRRWKOY-AWEZNQCLSA-N -1 0 399.407 0.959 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])[nH]n1)c1ccc(OC)cc1 ZINC001598838797 996507785 /nfs/dbraw/zinc/50/77/85/996507785.db2.gz FQORFFIWNRDUBT-NSHDSACASA-N -1 0 383.382 0.699 20 0 GCADRM COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)[O-] ZINC001598839017 996509818 /nfs/dbraw/zinc/50/98/18/996509818.db2.gz UMJGQBDPNHYYKK-OAHLLOKOSA-N -1 0 392.408 0.437 20 0 GCADRM COC(=O)C[C@@H](NC(=O)c1cncc(I)c1)C(=O)[O-] ZINC001598839156 996510848 /nfs/dbraw/zinc/51/08/48/996510848.db2.gz GWZJSQVAQWNORC-MRVPVSSYSA-N -1 0 378.122 0.432 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C(=O)OC)c1)C1CC1 ZINC001598839257 996511493 /nfs/dbraw/zinc/51/14/93/996511493.db2.gz JUFGDSSZJKXHSM-ZDUSSCGKSA-N -1 0 385.394 0.791 20 0 GCADRM COC(=O)C[C@@H](O)CNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001598840270 996519414 /nfs/dbraw/zinc/51/94/14/996519414.db2.gz PZHJXIVDPATEGG-GFCCVEGCSA-N -1 0 376.369 0.924 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(c2nnc([C@H]3CCCC(=O)N3)n2C[C@H]2CCOC2)C1 ZINC001593800352 996519782 /nfs/dbraw/zinc/51/97/82/996519782.db2.gz DHVPPJMXFVQTJV-VFVRVIDISA-N -1 0 377.445 0.957 20 0 GCADRM COC(=O)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)OC)C(=O)[O-] ZINC001598840730 996522942 /nfs/dbraw/zinc/52/29/42/996522942.db2.gz VZUCMPJUZMGALA-QMMMGPOBSA-N -1 0 379.774 0.421 20 0 GCADRM C[C@]1(C(=O)[O-])CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC2)C1 ZINC001593801241 996523047 /nfs/dbraw/zinc/52/30/47/996523047.db2.gz NQOGBPWSPZESFQ-ACJLOTCBSA-N -1 0 377.445 0.738 20 0 GCADRM COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC001598841517 996529768 /nfs/dbraw/zinc/52/97/68/996529768.db2.gz ZKLIJCIOAXCEPO-SNVBAGLBSA-N -1 0 383.426 0.481 20 0 GCADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C1 ZINC001593805128 996534590 /nfs/dbraw/zinc/53/45/90/996534590.db2.gz YMOWEEHWHHBCBY-UHFFFAOYSA-N -1 0 375.406 0.851 20 0 GCADRM COC(=O)C[C@@]1(NC(=O)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCOC1 ZINC001598842762 996539237 /nfs/dbraw/zinc/53/92/37/996539237.db2.gz STZZVTNCCSLCHZ-SFHVURJKSA-N -1 0 378.381 0.779 20 0 GCADRM COC(=O)C[C@@]1(NC(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CCOC1 ZINC001598843161 996542111 /nfs/dbraw/zinc/54/21/11/996542111.db2.gz NOIWPDNSGUWHLE-KRWDZBQOSA-N -1 0 376.369 0.965 20 0 GCADRM COC(=O)CC1(NS(=O)(=O)c2cc(OC)ccc2C(=O)[O-])CCOCC1 ZINC001598843473 996544778 /nfs/dbraw/zinc/54/47/78/996544778.db2.gz AHCKCBSGYLJMTE-UHFFFAOYSA-N -1 0 387.410 0.784 20 0 GCADRM COC(=O)C[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCCOC1 ZINC001598843603 996545285 /nfs/dbraw/zinc/54/52/85/996545285.db2.gz GOWQPFRHPWZDFL-HNNXBMFYSA-N -1 0 375.374 0.915 20 0 GCADRM C[C@@]1(C(N)=O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])C1 ZINC001593816116 996553155 /nfs/dbraw/zinc/55/31/55/996553155.db2.gz SPXQRRWZWHDPKC-GOSISDBHSA-N -1 0 376.413 0.951 20 0 GCADRM C[C@]1(C(N)=O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])C1 ZINC001593816117 996553224 /nfs/dbraw/zinc/55/32/24/996553224.db2.gz SPXQRRWZWHDPKC-SFHVURJKSA-N -1 0 376.413 0.951 20 0 GCADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001598844735 996555537 /nfs/dbraw/zinc/55/55/37/996555537.db2.gz DHOXDCMVCRSTRZ-SNVBAGLBSA-N -1 0 384.772 0.767 20 0 GCADRM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001598844733 996555876 /nfs/dbraw/zinc/55/58/76/996555876.db2.gz DHOXDCMVCRSTRZ-JTQLQIEISA-N -1 0 384.772 0.767 20 0 GCADRM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001598845236 996559890 /nfs/dbraw/zinc/55/98/90/996559890.db2.gz MZVFFCRMSVSWHQ-SNVBAGLBSA-N -1 0 384.772 0.767 20 0 GCADRM CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])[C@H]3CCOC3)cc21 ZINC001593824095 996567803 /nfs/dbraw/zinc/56/78/03/996567803.db2.gz 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MQUHFANFIAFCCY-UHFFFAOYSA-N -1 0 382.394 0.867 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)cc1C(=O)[O-] ZINC001598986035 998696928 /nfs/dbraw/zinc/69/69/28/998696928.db2.gz AGCSRSKFTQJDGR-GTNSWQLSSA-N -1 0 399.421 0.740 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C(=O)OC ZINC001598986180 998697704 /nfs/dbraw/zinc/69/77/04/998697704.db2.gz FZXIAMRFAPPWIP-HNNXBMFYSA-N -1 0 389.357 0.447 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cc1C(=O)[O-] ZINC001598986598 998700897 /nfs/dbraw/zinc/70/08/97/998700897.db2.gz DVJGFYJQLPMXEV-ZIAGYGMSSA-N -1 0 399.421 0.738 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1C(=O)OC ZINC001598986566 998701113 /nfs/dbraw/zinc/70/11/13/998701113.db2.gz CDRXYTIKBHJFSA-AOOOYVTPSA-N -1 0 385.394 0.744 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(F)c1 ZINC001598986640 998701379 /nfs/dbraw/zinc/70/13/79/998701379.db2.gz QTJOLQBRJLNMMZ-HNNXBMFYSA-N -1 0 386.357 0.606 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(F)c1 ZINC001598986641 998701662 /nfs/dbraw/zinc/70/16/62/998701662.db2.gz QTJOLQBRJLNMMZ-OAHLLOKOSA-N -1 0 386.357 0.606 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1C(=O)[O-] ZINC001598986698 998702156 /nfs/dbraw/zinc/70/21/56/998702156.db2.gz SWRXBLCPKUDMCG-QWRGUYRKSA-N -1 0 387.410 0.332 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)cc1F ZINC001598986880 998703065 /nfs/dbraw/zinc/70/30/65/998703065.db2.gz KOTFRHMOXOAAIQ-MNOVXSKESA-N -1 0 389.357 0.107 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC001598986892 998703533 /nfs/dbraw/zinc/70/35/33/998703533.db2.gz XIJNYSISVFSZLY-NOZJJQNGSA-N -1 0 384.410 0.446 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)cc1C(=O)[O-] ZINC001598986893 998703541 /nfs/dbraw/zinc/70/35/41/998703541.db2.gz XIJNYSISVFSZLY-RNCFNFMXSA-N -1 0 384.410 0.446 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(CCC(=O)[O-])CC(OC)OC)c(C)c1 ZINC001598987030 998704696 /nfs/dbraw/zinc/70/46/96/998704696.db2.gz OCEPUBOGANPIBZ-UHFFFAOYSA-N -1 0 389.426 0.866 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(Cl)c1 ZINC001598987701 998709304 /nfs/dbraw/zinc/70/93/04/998709304.db2.gz GHDCPVDGCUPLHB-AWEZNQCLSA-N -1 0 377.802 0.896 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@](C)(Cn2cccn2)C(=O)[O-])c(F)c1 ZINC001598987785 998710037 /nfs/dbraw/zinc/71/00/37/998710037.db2.gz GFIUHDCQHMAAHJ-OAHLLOKOSA-N -1 0 385.373 0.631 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2CCOCC2)cc1C(=O)[O-] ZINC001598987835 998710616 /nfs/dbraw/zinc/71/06/16/998710616.db2.gz HOBDXYUUHFLNLC-LLVKDONJSA-N -1 0 386.426 0.170 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NCCS(=O)(=O)C2CC2)cc1C(=O)[O-] ZINC001598988136 998712826 /nfs/dbraw/zinc/71/28/26/998712826.db2.gz CNVQNOQVZHFRIT-UHFFFAOYSA-N -1 0 391.423 0.027 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NCCO[C@H]2CCCCO2)cc1C(=O)[O-] ZINC001598988091 998712843 /nfs/dbraw/zinc/71/28/43/998712843.db2.gz BJBRBBMVQWEHLS-AWEZNQCLSA-N -1 0 387.410 0.993 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C(=O)OC ZINC001598988160 998713318 /nfs/dbraw/zinc/71/33/18/998713318.db2.gz KZPYCEFULCRCNE-ZDUSSCGKSA-N -1 0 385.394 0.791 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)OC)cc1C(=O)[O-] ZINC001598988274 998713919 /nfs/dbraw/zinc/71/39/19/998713919.db2.gz NCABDQBIDQFMLL-LLVKDONJSA-N -1 0 377.346 0.351 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)N2CCCCC2=O)cc1C(=O)[O-] ZINC001598988371 998714820 /nfs/dbraw/zinc/71/48/20/998714820.db2.gz NDKNHNRBCRESDT-LLVKDONJSA-N -1 0 398.437 0.851 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NCCCN2CCCCC2=O)cc1C(=O)[O-] ZINC001598988946 998719196 /nfs/dbraw/zinc/71/91/96/998719196.db2.gz VVGJFRJOUDYQRO-UHFFFAOYSA-N -1 0 398.437 0.852 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cc1C(=O)[O-] ZINC001598989205 998720759 /nfs/dbraw/zinc/72/07/59/998720759.db2.gz XBBPATVLTVSOFD-GTNSWQLSSA-N -1 0 399.421 0.788 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCOC[C@H]2OC)cc1C(=O)[O-] ZINC001598989185 998720786 /nfs/dbraw/zinc/72/07/86/998720786.db2.gz WJSWCADVGCJBOA-IINYFYTJSA-N -1 0 387.410 0.501 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1C(=O)OC ZINC001598989166 998720810 /nfs/dbraw/zinc/72/08/10/998720810.db2.gz XULDSRPWGJZXLO-GHMZBOCLSA-N -1 0 399.421 0.991 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N[C@](C)(C(=O)OC)C2CC2)cc1C(=O)[O-] ZINC001598989299 998722132 /nfs/dbraw/zinc/72/21/32/998722132.db2.gz ZHURFHMRUFRBOZ-INIZCTEOSA-N -1 0 385.394 0.791 20 0 GCADRM COC(=O)c1ccc2c(c1)ncn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2=O ZINC001598989490 998723159 /nfs/dbraw/zinc/72/31/59/998723159.db2.gz AZGCGNIHGVNLRC-AWEZNQCLSA-N -1 0 375.381 0.799 20 0 GCADRM COC(=O)c1ccc2c(c1)ncn(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c2=O ZINC001598989492 998723244 /nfs/dbraw/zinc/72/32/44/998723244.db2.gz AZGCGNIHGVNLRC-CQSZACIVSA-N -1 0 375.381 0.799 20 0 GCADRM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@@H](CF)C(=O)[O-] ZINC001594196559 998761588 /nfs/dbraw/zinc/76/15/88/998761588.db2.gz KQSRCBSGAGBKMP-MBGOZMDMSA-N -1 0 380.294 0.511 20 0 GCADRM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001594198465 998768645 /nfs/dbraw/zinc/76/86/45/998768645.db2.gz KKLJRAXVTKWVOG-SECBINFHSA-N -1 0 383.788 0.479 20 0 GCADRM COC(=O)c1cccc(NC(=O)CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])n1 ZINC001598998939 998806148 /nfs/dbraw/zinc/80/61/48/998806148.db2.gz FJRIQAHUKXFPSR-JQWIXIFHSA-N -1 0 379.369 0.145 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1C ZINC001599000807 998821592 /nfs/dbraw/zinc/82/15/92/998821592.db2.gz LOFKRVTUYXJNLQ-AAEUAGOBSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])c1C ZINC001599000749 998821602 /nfs/dbraw/zinc/82/16/02/998821602.db2.gz JWZUOZNRSVGIRE-LBPRGKRZSA-N -1 0 387.410 0.666 20 0 GCADRM COC(=O)c1cccn(CC(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)c1=O ZINC001599001358 998823663 /nfs/dbraw/zinc/82/36/63/998823663.db2.gz AQUXSUPEPFDOLA-HUBLWGQQSA-N -1 0 380.397 0.410 20 0 GCADRM COC(=O)c1ccccc1NC(=O)CN1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)[O-] ZINC001599002536 998831274 /nfs/dbraw/zinc/83/12/74/998831274.db2.gz IJWKUXBARBJJNM-SMDDNHRTSA-N -1 0 378.381 0.750 20 0 GCADRM COC(=O)c1ccccc1S(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599002563 998831927 /nfs/dbraw/zinc/83/19/27/998831927.db2.gz QTLFKFNEIZVYMF-UHFFFAOYSA-N -1 0 394.409 0.789 20 0 GCADRM COC(=O)c1cccn(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1=O ZINC001599004840 998847767 /nfs/dbraw/zinc/84/77/67/998847767.db2.gz QBODLTCNTGXKLX-CQSZACIVSA-N -1 0 376.340 0.586 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(C(=O)[O-])nn1)C2=O ZINC001594220841 998850109 /nfs/dbraw/zinc/85/01/09/998850109.db2.gz HPUPRDPOOHMHCB-NXEZZACHSA-N -1 0 375.385 0.860 20 0 GCADRM COC(=O)c1ccnc(S(=O)(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)c1 ZINC001599005331 998850591 /nfs/dbraw/zinc/85/05/91/998850591.db2.gz YXHWOXJTIFSBIG-BWBHSNQOSA-N -1 0 384.410 0.559 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N[C@]1(CC(=O)[O-])CCOC1)C2=O ZINC001594221405 998852509 /nfs/dbraw/zinc/85/25/09/998852509.db2.gz NBXWHMDTEWNNMK-QFSBIZTOSA-N -1 0 381.429 0.483 20 0 GCADRM COC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(C)cc3C(=O)[O-])C2)nn1 ZINC001599005780 998853132 /nfs/dbraw/zinc/85/31/32/998853132.db2.gz FVYOXAULTRWJIS-UHFFFAOYSA-N -1 0 380.382 0.317 20 0 GCADRM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cc(C(=O)[O-])nn1C)C2=O ZINC001594221648 998853587 /nfs/dbraw/zinc/85/35/87/998853587.db2.gz SAAZTEKOMPSOAA-UWVGGRQHSA-N -1 0 377.401 0.804 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1ocnc1C(=O)[O-])C2=O ZINC001594222251 998856180 /nfs/dbraw/zinc/85/61/80/998856180.db2.gz WWJAPUCRFASVQY-NXEZZACHSA-N -1 0 378.385 0.736 20 0 GCADRM COC(=O)c1cn(C2CN(C(=O)Nc3ccc(C(=O)[O-])cc3OC)C2)nn1 ZINC001599006445 998858686 /nfs/dbraw/zinc/85/86/86/998858686.db2.gz QXXLNEPDXYASTA-UHFFFAOYSA-N -1 0 375.341 0.860 20 0 GCADRM COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3ccccc3C(=O)[O-])C2)nn1 ZINC001599006543 998859906 /nfs/dbraw/zinc/85/99/06/998859906.db2.gz SDEDSGQLWRQKBU-SNVBAGLBSA-N -1 0 380.382 0.399 20 0 GCADRM COC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)nn1 ZINC001599006721 998861265 /nfs/dbraw/zinc/86/12/65/998861265.db2.gz XSOVFQOLPAPPFV-ZDUSSCGKSA-N -1 0 382.760 0.669 20 0 GCADRM COC(=O)c1cnc(NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)nc1 ZINC001599009773 998887941 /nfs/dbraw/zinc/88/79/41/998887941.db2.gz VZZOOYPUMXNKEG-UHFFFAOYSA-N -1 0 379.394 0.875 20 0 GCADRM COC(=O)c1cncc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)c1 ZINC001599010869 998897042 /nfs/dbraw/zinc/89/70/42/998897042.db2.gz IWQPIRKAGDZUGT-OSMZGAPFSA-N -1 0 386.426 0.805 20 0 GCADRM COC(=O)c1coc(CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC001599011748 998904486 /nfs/dbraw/zinc/90/44/86/998904486.db2.gz ADABDDQHJGETLC-UHFFFAOYSA-N -1 0 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/nfs/dbraw/zinc/95/66/50/530956650.db2.gz QKOXTTWZMNJFEP-KBPBESRZSA-N -1 0 375.468 0.427 20 0 GCADRM C[C@H](CC(=O)[O-])N(C)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000522015157 530973125 /nfs/dbraw/zinc/97/31/25/530973125.db2.gz SPFOQHFVNMNMGJ-SNVBAGLBSA-N -1 0 376.456 0.704 20 0 GCADRM COC(=O)[C@H](CNS(=O)(=O)[N-]CC(F)(F)F)Cc1ccc(O)c(F)c1 ZINC000420757202 530973938 /nfs/dbraw/zinc/97/39/38/530973938.db2.gz BQOKXGXDRLKUPK-VIFPVBQESA-N -1 0 388.339 0.849 20 0 GCADRM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(CCO)CC(=O)[O-] ZINC000572124954 530985295 /nfs/dbraw/zinc/98/52/95/530985295.db2.gz JYJFZPNOIOBEOK-UHFFFAOYSA-N -1 0 394.833 0.118 20 0 GCADRM CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1 ZINC000572135157 530985310 /nfs/dbraw/zinc/98/53/10/530985310.db2.gz PXZSMAORAKQZPM-UHFFFAOYSA-N -1 0 386.455 0.926 20 0 GCADRM CCOc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1S(=O)(=O)N(C)C ZINC000524291786 530985377 /nfs/dbraw/zinc/98/53/77/530985377.db2.gz ZDBYANLFUHDTMN-UHFFFAOYSA-N -1 0 388.471 0.870 20 0 GCADRM O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1c[nH]cn1 ZINC000522960851 530978737 /nfs/dbraw/zinc/97/87/37/530978737.db2.gz ZJPAQEGUEDZUAY-UHFFFAOYSA-N -1 0 390.418 0.371 20 0 GCADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@@H]2COCCO2)cn1 ZINC000523061292 530978872 /nfs/dbraw/zinc/97/88/72/530978872.db2.gz YHOUSDCDEASXBB-LLVKDONJSA-N -1 0 386.455 0.428 20 0 GCADRM COCCN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000262392334 530979615 /nfs/dbraw/zinc/97/96/15/530979615.db2.gz KPYXXRHSAMUFHP-SNVBAGLBSA-N -1 0 378.834 0.566 20 0 GCADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCC3(C)CC3)cc2)n1 ZINC000571777418 530980795 /nfs/dbraw/zinc/98/07/95/530980795.db2.gz ZCCMEYSLYBVZOQ-UHFFFAOYSA-N -1 0 385.471 0.694 20 0 GCADRM CNC(=O)CCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000230952380 530980924 /nfs/dbraw/zinc/98/09/24/530980924.db2.gz BVTNFQVFBYPHNY-UHFFFAOYSA-N -1 0 379.232 0.904 20 0 GCADRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000571767054 530980942 /nfs/dbraw/zinc/98/09/42/530980942.db2.gz SMLRIOBRCWCJAW-LLVKDONJSA-N -1 0 380.419 0.226 20 0 GCADRM O=C([O-])c1csc(S(=O)(=O)N2CCN(C[C@H](O)C(F)(F)F)CC2)c1 ZINC000571769068 530980985 /nfs/dbraw/zinc/98/09/85/530980985.db2.gz SKKXSTGVYYCJON-VIFPVBQESA-N -1 0 388.389 0.676 20 0 GCADRM C/C=C/C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)[O-] ZINC000571759339 530981272 /nfs/dbraw/zinc/98/12/72/530981272.db2.gz LXWWWSSZARHDNO-TZNOJPMFSA-N -1 0 376.456 0.683 20 0 GCADRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC000571767055 530981305 /nfs/dbraw/zinc/98/13/05/530981305.db2.gz SMLRIOBRCWCJAW-NSHDSACASA-N -1 0 380.419 0.226 20 0 GCADRM C/C=C\C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)[O-] ZINC000571759338 530981306 /nfs/dbraw/zinc/98/13/06/530981306.db2.gz LXWWWSSZARHDNO-MZBZXASESA-N -1 0 376.456 0.683 20 0 GCADRM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000571885987 530982072 /nfs/dbraw/zinc/98/20/72/530982072.db2.gz DCWZDJPDGDPLHL-SECBINFHSA-N -1 0 380.419 0.145 20 0 GCADRM CN(CCC#N)S(=O)(=O)N[C@@H](CSCCOc1ccccc1)C(=O)[O-] ZINC000547588813 530982271 /nfs/dbraw/zinc/98/22/71/530982271.db2.gz LMUVFGJQOGXQHZ-AWEZNQCLSA-N -1 0 387.483 0.932 20 0 GCADRM C/C=C/C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000571878877 530982524 /nfs/dbraw/zinc/98/25/24/530982524.db2.gz UDYKETBCZXBRLK-ZWNMCFTASA-N -1 0 376.456 0.635 20 0 GCADRM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000571998315 530983623 /nfs/dbraw/zinc/98/36/23/530983623.db2.gz RMXZFTKFKUXLJN-QMMMGPOBSA-N -1 0 385.485 0.899 20 0 GCADRM O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NCc1nnn[n-]1 ZINC000648779391 530983962 /nfs/dbraw/zinc/98/39/62/530983962.db2.gz MWDPBLUWVXLEDD-UHFFFAOYSA-N -1 0 398.754 0.467 20 0 GCADRM O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1nnn[n-]1 ZINC000648779145 530984398 /nfs/dbraw/zinc/98/43/98/530984398.db2.gz BLOTVKBYBKQUBO-UHFFFAOYSA-N -1 0 398.754 0.467 20 0 GCADRM CCS(=O)(=O)N(C)CCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000521620636 530968355 /nfs/dbraw/zinc/96/83/55/530968355.db2.gz OBUUYONGOPAUNU-UHFFFAOYSA-N -1 0 394.471 0.343 20 0 GCADRM C[C@H](O)[C@@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)[O-] ZINC000572099364 530985017 /nfs/dbraw/zinc/98/50/17/530985017.db2.gz ITPTWEGDEKPNAG-JVXZTZIISA-N -1 0 375.378 0.222 20 0 GCADRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC000564178989 530969070 /nfs/dbraw/zinc/96/90/70/530969070.db2.gz VPTPSKDNYAAMST-UWVGGRQHSA-N -1 0 398.528 0.617 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000521718256 530969127 /nfs/dbraw/zinc/96/91/27/530969127.db2.gz WJGNOVRTWYCYFG-RNCFNFMXSA-N -1 0 391.829 0.973 20 0 GCADRM O=C([O-])CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000420569625 530969336 /nfs/dbraw/zinc/96/93/36/530969336.db2.gz VZUXEAKEUYETBG-NSHDSACASA-N -1 0 384.230 0.735 20 0 GCADRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](O)C(=O)[O-])C1 ZINC000521718254 530969444 /nfs/dbraw/zinc/96/94/44/530969444.db2.gz WJGNOVRTWYCYFG-NOZJJQNGSA-N -1 0 391.829 0.973 20 0 GCADRM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H]2CC(=O)N(C)C2)cn1 ZINC000521754686 530969837 /nfs/dbraw/zinc/96/98/37/530969837.db2.gz CEWZRVALMOUFAO-VIFPVBQESA-N -1 0 383.455 0.243 20 0 GCADRM CN(C(=O)C(=O)NCCCC(=O)[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000420596444 530970108 /nfs/dbraw/zinc/97/01/08/530970108.db2.gz SZGGNRGLSQYAEV-LLVKDONJSA-N -1 0 388.829 0.608 20 0 GCADRM O=C([O-])CSCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000262436011 530985082 /nfs/dbraw/zinc/98/50/82/530985082.db2.gz SVLFZGHOIZOEMO-JTQLQIEISA-N -1 0 378.497 0.835 20 0 GCADRM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000521994834 530971765 /nfs/dbraw/zinc/97/17/65/530971765.db2.gz HLAKBDMPLWHRJD-CQSZACIVSA-N -1 0 392.499 0.904 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000572338822 530991189 /nfs/dbraw/zinc/99/11/89/530991189.db2.gz WUQWTJJNDNFLKY-SNVBAGLBSA-N -1 0 380.216 0.932 20 0 GCADRM Cc1cc(Cl)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC000321214314 530991200 /nfs/dbraw/zinc/99/12/00/530991200.db2.gz ALTHDSSZHLDDIB-LLVKDONJSA-N -1 0 381.859 0.911 20 0 GCADRM CS(=O)(=O)c1nc(NC(=O)CCn2cc(Br)ccc2=O)n[n-]1 ZINC000524977557 530992180 /nfs/dbraw/zinc/99/21/80/530992180.db2.gz NYVWSVHDXMVRPU-UHFFFAOYSA-N -1 0 390.219 0.161 20 0 GCADRM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000525007474 530992301 /nfs/dbraw/zinc/99/23/01/530992301.db2.gz IOHCXEMYJDZFPM-UHFFFAOYSA-N -1 0 380.411 0.111 20 0 GCADRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1CCN[C@H](C)C1 ZINC000262092514 530993066 /nfs/dbraw/zinc/99/30/66/530993066.db2.gz APVBPDKIWWRDQL-LLVKDONJSA-N -1 0 377.488 0.439 20 0 GCADRM CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262501141 530993650 /nfs/dbraw/zinc/99/36/50/530993650.db2.gz KQDGGTMDWIGBIK-WFASDCNBSA-N -1 0 376.406 0.080 20 0 GCADRM CN(CC(=O)N[C@@]1(C(=O)[O-])CCOC1)C(=O)c1ccc(Br)s1 ZINC000262133973 530993820 /nfs/dbraw/zinc/99/38/20/530993820.db2.gz QXJRYKVCSITMAY-ZDUSSCGKSA-N -1 0 391.243 0.943 20 0 GCADRM Cc1ccc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC000400305533 530994343 /nfs/dbraw/zinc/99/43/43/530994343.db2.gz UVOKIDDQUQFOEO-NSHDSACASA-N -1 0 376.456 0.396 20 0 GCADRM O=C([O-])CCC1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000659397271 530994761 /nfs/dbraw/zinc/99/47/61/530994761.db2.gz XUTNJIZWWRYLGN-UHFFFAOYSA-N -1 0 375.491 0.992 20 0 GCADRM CS(=O)(=O)N1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000659395251 530994944 /nfs/dbraw/zinc/99/49/44/530994944.db2.gz INYVUNQVQGZTSW-UHFFFAOYSA-N -1 0 375.491 0.944 20 0 GCADRM CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000659416034 530994948 /nfs/dbraw/zinc/99/49/48/530994948.db2.gz OSQMDXCCNROKDW-LBPRGKRZSA-N -1 0 378.495 0.351 20 0 GCADRM CCN(C(=O)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000659668735 530996232 /nfs/dbraw/zinc/99/62/32/530996232.db2.gz ULMKTIAPBJEGHR-STQMWFEESA-N -1 0 376.475 0.275 20 0 GCADRM COCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000262314123 530996348 /nfs/dbraw/zinc/99/63/48/530996348.db2.gz QHBIWJOMNDLXPN-JTQLQIEISA-N -1 0 376.456 0.752 20 0 GCADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1)CC(=O)[O-] ZINC000659666875 530996443 /nfs/dbraw/zinc/99/64/43/530996443.db2.gz VXRPXEHSBFAWCU-LBPRGKRZSA-N -1 0 376.475 0.275 20 0 GCADRM CC(C)C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)CC(=O)[O-] ZINC000659666598 530996492 /nfs/dbraw/zinc/99/64/92/530996492.db2.gz QKZSEVBILFUUTB-QWHCGFSZSA-N -1 0 376.475 0.275 20 0 GCADRM CC(C)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)[O-] ZINC000262315297 530996504 /nfs/dbraw/zinc/99/65/04/530996504.db2.gz BEUGINDKMKAQIP-ZDUSSCGKSA-N -1 0 376.456 0.515 20 0 GCADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000659785621 530996781 /nfs/dbraw/zinc/99/67/81/530996781.db2.gz YQFBLSJALSVQER-JTQLQIEISA-N -1 0 375.447 0.918 20 0 GCADRM C[C@@H](CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] 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1186526416 /nfs/dbraw/zinc/52/64/16/1186526416.db2.gz AVJZSBSVGFVWDN-LBPRGKRZSA-N -1 0 382.438 0.829 20 0 GCADRM Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000625955201 1186534786 /nfs/dbraw/zinc/53/47/86/1186534786.db2.gz WMYQALMEAROHEL-GXFFZTMASA-N -1 0 386.412 0.787 20 0 GCADRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000684879588 1186538030 /nfs/dbraw/zinc/53/80/30/1186538030.db2.gz UBZGWHKNFVJGRH-UHFFFAOYSA-N -1 0 376.398 0.024 20 0 GCADRM C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3c[n-]n4c3nccc4=O)C[C@H]21 ZINC001022746811 1186542726 /nfs/dbraw/zinc/54/27/26/1186542726.db2.gz LFFPCJDPSNBBFW-FIRUKDTASA-N -1 0 385.424 0.121 20 0 GCADRM CC(C)c1nc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)nn1-c1ccccc1F ZINC000277631020 1186543949 /nfs/dbraw/zinc/54/39/49/1186543949.db2.gz MYJCSWRSDWNRMZ-UHFFFAOYSA-N -1 0 397.432 0.726 20 0 GCADRM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022752353 1186546119 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HFAWRXJULINSDL-UHFFFAOYSA-N -1 0 378.385 0.964 20 0 GCADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3F)CC2)C1 ZINC000582659993 1186601786 /nfs/dbraw/zinc/60/17/86/1186601786.db2.gz COXPWLMIFWVSAP-ZDUSSCGKSA-N -1 0 378.404 0.583 20 0 GCADRM O=C([O-])[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[C@H]1CCCOC1 ZINC000582660946 1186601861 /nfs/dbraw/zinc/60/18/61/1186601861.db2.gz NCFWMORNOBHXKT-SMDDNHRTSA-N -1 0 385.442 0.409 20 0 GCADRM COC(=O)C(C)(C)c1ccc(S(=O)(=O)NC[C@](C)(CO)CC(=O)[O-])cc1 ZINC000563429983 1186603233 /nfs/dbraw/zinc/60/32/33/1186603233.db2.gz BFIIQXAMPWEAIK-QGZVFWFLSA-N -1 0 387.454 0.889 20 0 GCADRM COc1ccccc1N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000548758774 1186627640 /nfs/dbraw/zinc/62/76/40/1186627640.db2.gz UAEYUZAKVWVTRN-AWEZNQCLSA-N -1 0 383.470 0.859 20 0 GCADRM O=C1NC2(CCCCC2)C(=O)N1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000277831363 1186629095 /nfs/dbraw/zinc/62/90/95/1186629095.db2.gz JROPKSIJESIFBT-UHFFFAOYSA-N -1 0 391.413 0.110 20 0 GCADRM 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NHELBTGEGXYAMX-DGCLKSJQSA-N -1 0 382.438 0.676 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000422647840 1194681609 /nfs/dbraw/zinc/68/16/09/1194681609.db2.gz BYYGCNVXMHQKTM-LBPRGKRZSA-N -1 0 397.453 0.697 20 0 GCADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CC(=O)[O-])c2ccccc2O1 ZINC000422651070 1194681814 /nfs/dbraw/zinc/68/18/14/1194681814.db2.gz NUTPFQARQUJRFE-FZMZJTMJSA-N -1 0 377.397 0.286 20 0 GCADRM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000422649272 1194681837 /nfs/dbraw/zinc/68/18/37/1194681837.db2.gz HWKYGLHVZJYLKJ-GFCCVEGCSA-N -1 0 399.469 0.991 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc(OC)cc1OC ZINC000422650640 1194682025 /nfs/dbraw/zinc/68/20/25/1194682025.db2.gz AWGMLVIDNAXOJZ-JTQLQIEISA-N -1 0 394.380 0.752 20 0 GCADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCCCCC(=O)[O-])OCO2 ZINC000422652383 1194682065 /nfs/dbraw/zinc/68/20/65/1194682065.db2.gz UZXORWGJVRJXMY-UHFFFAOYSA-N -1 0 380.353 0.902 20 0 GCADRM CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC(=O)[O-])ccc1C ZINC000422652610 1194682199 /nfs/dbraw/zinc/68/21/99/1194682199.db2.gz RRRAFZRYBFJSGF-LBPRGKRZSA-N -1 0 399.469 0.943 20 0 GCADRM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCC(=O)[O-])c1 ZINC000422653933 1194682245 /nfs/dbraw/zinc/68/22/45/1194682245.db2.gz ZZSDKQXKUOTGCY-LBPRGKRZSA-N -1 0 399.469 0.824 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c(OCC(F)(F)F)c1 ZINC000422654733 1194682550 /nfs/dbraw/zinc/68/25/50/1194682550.db2.gz XSLBXJPITTUZEA-SSDOTTSWSA-N -1 0 392.286 0.942 20 0 GCADRM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000422655204 1194682567 /nfs/dbraw/zinc/68/25/67/1194682567.db2.gz YUMFBLXSRYGOTH-RYUDHWBXSA-N -1 0 399.469 0.822 20 0 GCADRM COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 ZINC000422656620 1194682610 /nfs/dbraw/zinc/68/26/10/1194682610.db2.gz DZMBJBYMSPJJEQ-HNNXBMFYSA-N -1 0 377.397 0.386 20 0 GCADRM COCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 ZINC000422656065 1194682753 /nfs/dbraw/zinc/68/27/53/1194682753.db2.gz BAXRLHQEGLCESM-INIZCTEOSA-N -1 0 391.424 0.776 20 0 GCADRM CNC(=O)CCOc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000422657641 1194683125 /nfs/dbraw/zinc/68/31/25/1194683125.db2.gz MNTSCIWEBRHLIJ-AWEZNQCLSA-N -1 0 379.413 0.756 20 0 GCADRM COc1ccc(-c2ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])c2)cn1 ZINC000422679402 1194683328 /nfs/dbraw/zinc/68/33/28/1194683328.db2.gz UEVXPWTVCCJOMN-LJQANCHMSA-N -1 0 387.392 0.956 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1=O ZINC000422679430 1194683339 /nfs/dbraw/zinc/68/33/39/1194683339.db2.gz UJNFQOKTDQOCSC-HZPDHXFCSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)C(=O)[O-] ZINC000422659950 1194683382 /nfs/dbraw/zinc/68/33/82/1194683382.db2.gz AQQKHJXTVRFMMA-GFCCVEGCSA-N -1 0 387.339 0.593 20 0 GCADRM CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000422679605 1194683392 /nfs/dbraw/zinc/68/33/92/1194683392.db2.gz VMAFWJGRPXKCJN-INIZCTEOSA-N -1 0 386.788 0.796 20 0 GCADRM CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422658185 1194683411 /nfs/dbraw/zinc/68/34/11/1194683411.db2.gz CLAYWSQJFIGRSG-ZDUSSCGKSA-N -1 0 383.426 0.852 20 0 GCADRM CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)[O-])cc21 ZINC000422664608 1194683448 /nfs/dbraw/zinc/68/34/48/1194683448.db2.gz SIWDZBAHBNOVSI-CQSZACIVSA-N -1 0 386.408 0.744 20 0 GCADRM CC(C)(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)[O-] ZINC000422680804 1194683480 /nfs/dbraw/zinc/68/34/80/1194683480.db2.gz CPUOXCARSLJOHD-CYBMUJFWSA-N -1 0 379.413 0.885 20 0 GCADRM COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679452 1194683511 /nfs/dbraw/zinc/68/35/11/1194683511.db2.gz UKXJUSQMCJJWIN-OCCSQVGLSA-N -1 0 395.387 0.599 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1=O ZINC000422680333 1194683709 /nfs/dbraw/zinc/68/37/09/1194683709.db2.gz YVVKOAXFTPDNJA-DZGCQCFKSA-N -1 0 389.408 0.386 20 0 GCADRM COC(=O)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422681594 1194683728 /nfs/dbraw/zinc/68/37/28/1194683728.db2.gz IJLRUNYHRRMWCW-HXPMCKFVSA-N -1 0 390.392 0.890 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000422681953 1194683770 /nfs/dbraw/zinc/68/37/70/1194683770.db2.gz ALPRDSBYTMFATA-OLZOCXBDSA-N -1 0 391.424 0.661 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000422681638 1194683779 /nfs/dbraw/zinc/68/37/79/1194683779.db2.gz ACLAIWYRCKYRIZ-RYUDHWBXSA-N -1 0 377.397 0.449 20 0 GCADRM NC(=O)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000422680450 1194683809 /nfs/dbraw/zinc/68/38/09/1194683809.db2.gz BFURJTIBOMDCLY-HXPMCKFVSA-N -1 0 389.408 0.593 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1-n1cnnn1 ZINC000422682987 1194683843 /nfs/dbraw/zinc/68/38/43/1194683843.db2.gz LKBLYZBERUGOIR-KPZWWZAWSA-N -1 0 384.396 0.623 20 0 GCADRM Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])cccc1OCC(F)(F)F ZINC000422680341 1194683855 /nfs/dbraw/zinc/68/38/55/1194683855.db2.gz YXLYZOWYJXDWRO-CQSZACIVSA-N -1 0 378.303 0.826 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000422684949 1194684165 /nfs/dbraw/zinc/68/41/65/1194684165.db2.gz FYUSQKVWWQWXKT-WDEREUQCSA-N -1 0 375.360 0.914 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(S(C)(=O)=O)c1 ZINC000422685128 1194684225 /nfs/dbraw/zinc/68/42/25/1194684225.db2.gz GHOARLFTVJBGTP-NWDGAFQWSA-N -1 0 382.438 0.906 20 0 GCADRM COc1ccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000422685663 1194684581 /nfs/dbraw/zinc/68/45/81/1194684581.db2.gz HBZQUTUPNWKMSK-QWRGUYRKSA-N -1 0 398.437 0.606 20 0 GCADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000422664282 1194684611 /nfs/dbraw/zinc/68/46/11/1194684611.db2.gz RLFXGEJSTKMAQI-AWEZNQCLSA-N -1 0 399.469 0.929 20 0 GCADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422688056 1194684632 /nfs/dbraw/zinc/68/46/32/1194684632.db2.gz KANMOHGFRTYAAK-AAEUAGOBSA-N -1 0 386.412 0.868 20 0 GCADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000422664207 1194684668 /nfs/dbraw/zinc/68/46/68/1194684668.db2.gz RHCSQYVIJPWSBI-CYBMUJFWSA-N -1 0 383.426 0.389 20 0 GCADRM NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000422665069 1194684681 /nfs/dbraw/zinc/68/46/81/1194684681.db2.gz USXMHWBGEYUVJU-JTQLQIEISA-N -1 0 385.323 0.444 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1S(N)(=O)=O ZINC000422687045 1194684711 /nfs/dbraw/zinc/68/47/11/1194684711.db2.gz IQQFDBWYSAWRAK-GXSJLCMTSA-N -1 0 383.426 0.150 20 0 GCADRM COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000422685193 1194684735 /nfs/dbraw/zinc/68/47/35/1194684735.db2.gz QVYCXQXEPYYGMQ-JTQLQIEISA-N -1 0 381.433 0.885 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccnn1[C@H](C)CC(C)C)[C@H](C)C(=O)[O-] ZINC000422667936 1194684965 /nfs/dbraw/zinc/68/49/65/1194684965.db2.gz BFEHFBCATMAWHV-CHWSQXEVSA-N -1 0 395.460 0.867 20 0 GCADRM CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC000422665367 1194684977 /nfs/dbraw/zinc/68/49/77/1194684977.db2.gz WWKVJOAKXAELTG-NSHDSACASA-N -1 0 387.389 0.090 20 0 GCADRM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)C(=O)[O-] ZINC000422665543 1194685014 /nfs/dbraw/zinc/68/50/14/1194685014.db2.gz YEQPSDDVVSHPKV-ZDUSSCGKSA-N -1 0 399.469 0.927 20 0 GCADRM Cn1nc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC(F)F ZINC000422664719 1194685063 /nfs/dbraw/zinc/68/50/63/1194685063.db2.gz XOLBCHMZYSVYIW-JTQLQIEISA-N -1 0 382.323 0.772 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000422668419 1194685414 /nfs/dbraw/zinc/68/54/14/1194685414.db2.gz DNYVPSNOAQZPEA-AWEZNQCLSA-N -1 0 397.453 0.925 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)C(=O)[O-] ZINC000422668452 1194685422 /nfs/dbraw/zinc/68/54/22/1194685422.db2.gz DWCJXFJINIIRGN-LBPRGKRZSA-N -1 0 390.400 0.677 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C(C)=O)c(C)c1)[C@H](C)C(=O)[O-] ZINC000422670054 1194685457 /nfs/dbraw/zinc/68/54/57/1194685457.db2.gz JKEKJUPJWFZKLT-LLVKDONJSA-N -1 0 377.397 0.574 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)C(=O)[O-] ZINC000422667609 1194685478 /nfs/dbraw/zinc/68/54/78/1194685478.db2.gz XYQKQSVHYRHCPQ-ZBEGNZNMSA-N -1 0 391.424 0.776 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OCCF)c1)[C@H](C)C(=O)[O-] ZINC000422668367 1194685506 /nfs/dbraw/zinc/68/55/06/1194685506.db2.gz DEMZDYUEDUEFAW-LLVKDONJSA-N -1 0 383.376 0.411 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000422667911 1194685531 /nfs/dbraw/zinc/68/55/31/1194685531.db2.gz AZYALFFAMBBVQL-AWEZNQCLSA-N -1 0 379.413 0.852 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000422667247 1194685548 /nfs/dbraw/zinc/68/55/48/1194685548.db2.gz SIHUSTHHPDCXHQ-NHYWBVRUSA-N -1 0 393.444 0.496 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(Cl)c1N(C)C)[C@H](C)C(=O)[O-] ZINC000422669374 1194685753 /nfs/dbraw/zinc/68/57/53/1194685753.db2.gz HJUOLILATJVUBP-SNVBAGLBSA-N -1 0 398.847 0.782 20 0 GCADRM COc1cc(NC(=O)C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1NS(C)(=O)=O ZINC000422670278 1194685777 /nfs/dbraw/zinc/68/57/77/1194685777.db2.gz GRGFOIPRHDELPM-GFCCVEGCSA-N -1 0 399.425 0.471 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ncc(C(C)(C)C)s1)[C@H](C)C(=O)[O-] ZINC000422669823 1194685882 /nfs/dbraw/zinc/68/58/82/1194685882.db2.gz IRYOANNSFUKBDT-SECBINFHSA-N -1 0 384.458 0.817 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)C(=O)[O-] ZINC000422669191 1194685969 /nfs/dbraw/zinc/68/59/69/1194685969.db2.gz GYCTVNHTEQHFOG-AWEZNQCLSA-N -1 0 391.424 0.920 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(OCC2CC2)cc1)[C@@H](C)C(=O)[O-] ZINC000422671327 1194686106 /nfs/dbraw/zinc/68/61/06/1194686106.db2.gz MYMHWRIWBJVKOA-LBPRGKRZSA-N -1 0 391.424 0.852 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(OC(C)C)c1)[C@H](C)C(=O)[O-] ZINC000422671981 1194686160 /nfs/dbraw/zinc/68/61/60/1194686160.db2.gz PEFZAOJKGPXJFD-GFCCVEGCSA-N -1 0 379.413 0.850 20 0 GCADRM CCOc1ncc(C)cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422673981 1194686574 /nfs/dbraw/zinc/68/65/74/1194686574.db2.gz VEMJGQMDWVOKLN-LLVKDONJSA-N -1 0 380.401 0.165 20 0 GCADRM CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000422674996 1194686581 /nfs/dbraw/zinc/68/65/81/1194686581.db2.gz BCJGUMQZRAWAOZ-LLVKDONJSA-N -1 0 383.426 0.199 20 0 GCADRM CCc1nc2cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])ccc2o1 ZINC000422674194 1194686740 /nfs/dbraw/zinc/68/67/40/1194686740.db2.gz VVPCPCNAVXGITM-SNVBAGLBSA-N -1 0 390.396 0.767 20 0 GCADRM 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GCADRM CCc1nsc(N2CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CC2)n1 ZINC000424499999 1194818505 /nfs/dbraw/zinc/81/85/05/1194818505.db2.gz ZKBBYAVGXXTPNH-UHFFFAOYSA-N -1 0 397.501 0.756 20 0 GCADRM CCC(CC)(CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)C(=O)[O-] ZINC000424499788 1194818529 /nfs/dbraw/zinc/81/85/29/1194818529.db2.gz ZARSWIHUFRACKQ-AWEZNQCLSA-N -1 0 381.473 0.758 20 0 GCADRM C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])C(=O)N1c1ccccc1 ZINC000424500821 1194818644 /nfs/dbraw/zinc/81/86/44/1194818644.db2.gz LWEPCQKYIWAAFH-OCCSQVGLSA-N -1 0 375.425 0.914 20 0 GCADRM Cc1cc(N2CCC(NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2)nc(C)n1 ZINC000424508136 1194819181 /nfs/dbraw/zinc/81/91/81/1194819181.db2.gz VIBGRGFTKQGHIH-UHFFFAOYSA-N -1 0 391.472 0.796 20 0 GCADRM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424513680 1194820429 /nfs/dbraw/zinc/82/04/29/1194820429.db2.gz DSSSRQOFWPLEGV-LLVKDONJSA-N -1 0 399.469 0.389 20 0 GCADRM 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C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C1)n1cccn1 ZINC001573616537 947623018 /nfs/dbraw/zinc/62/30/18/947623018.db2.gz WZRUJBMJHSESHM-VXGBXAGGSA-N -1 0 382.432 0.185 20 0 GCADRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)ccc1Cl ZINC000327507325 971404686 /nfs/dbraw/zinc/40/46/86/971404686.db2.gz OMROQVRUEFIADE-CQSZACIVSA-N -1 0 387.801 0.401 20 0 GCADRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCC(C)(C)S(C)(=O)=O ZINC000826232799 947683308 /nfs/dbraw/zinc/68/33/08/947683308.db2.gz IZVAXCCOKWKDTL-UHFFFAOYSA-N -1 0 397.457 0.883 20 0 GCADRM C[C@@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573625101 947696294 /nfs/dbraw/zinc/69/62/94/947696294.db2.gz MYDOAFSPGAGYDI-GFCCVEGCSA-N -1 0 386.460 0.280 20 0 GCADRM C[C@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573625103 947697576 /nfs/dbraw/zinc/69/75/76/947697576.db2.gz MYDOAFSPGAGYDI-LBPRGKRZSA-N -1 0 386.460 0.280 20 0 GCADRM C[C@@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573627191 947719205 /nfs/dbraw/zinc/71/92/05/947719205.db2.gz ZZIZYJKMTVPAJS-LBPRGKRZSA-N -1 0 383.416 0.010 20 0 GCADRM C/C(=C\c1ccccc1)CN(C)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573365222 947729863 /nfs/dbraw/zinc/72/98/63/947729863.db2.gz LQDQGPJNBYGZRJ-XYOKQWHBSA-N -1 0 381.396 0.691 20 0 GCADRM C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573630746 947795191 /nfs/dbraw/zinc/79/51/91/947795191.db2.gz RWINQPHURJENLD-WCQYABFASA-N -1 0 382.432 0.019 20 0 GCADRM CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nnn[n-]2)n1 ZINC001573373488 947795796 /nfs/dbraw/zinc/79/57/96/947795796.db2.gz JKCATGPLTUSLRZ-UONOGXRCSA-N -1 0 384.444 0.986 20 0 GCADRM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCCN(CCO)CC1 ZINC000327895478 971432129 /nfs/dbraw/zinc/43/21/29/971432129.db2.gz GRWFDJZDDJUFOP-UHFFFAOYSA-N -1 0 392.861 0.736 20 0 GCADRM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001573374707 947814646 /nfs/dbraw/zinc/81/46/46/947814646.db2.gz PIQMOBDUMCBXRY-OCCSQVGLSA-N -1 0 386.460 0.877 20 0 GCADRM C[C@@H](C(=O)N1CCN(c2cc(Cl)ccn2)CC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573638393 947837652 /nfs/dbraw/zinc/83/76/52/947837652.db2.gz MKTLVLGZMXMKKX-JTQLQIEISA-N -1 0 388.823 0.416 20 0 GCADRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573647219 947887150 /nfs/dbraw/zinc/88/71/50/947887150.db2.gz FAFSGVRNLSUFKL-YRGRVCCFSA-N -1 0 379.428 0.536 20 0 GCADRM COc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000327992296 971440437 /nfs/dbraw/zinc/44/04/37/971440437.db2.gz HGBHUTQNIGPKSW-NSHDSACASA-N -1 0 392.455 0.048 20 0 GCADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1C ZINC000328021001 971441408 /nfs/dbraw/zinc/44/14/08/971441408.db2.gz NAQLMKWVLVFORM-ZDUSSCGKSA-N -1 0 390.483 0.656 20 0 GCADRM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573652198 947931075 /nfs/dbraw/zinc/93/10/75/947931075.db2.gz WLMHNYJOESQNNT-UBHSHLNASA-N -1 0 377.412 0.645 20 0 GCADRM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573652576 947942841 /nfs/dbraw/zinc/94/28/41/947942841.db2.gz DUMZCLBUAZENMA-SGTLLEGYSA-N -1 0 381.444 0.838 20 0 GCADRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC(F)(F)C3)CC2)o1 ZINC000826322945 947945914 /nfs/dbraw/zinc/94/59/14/947945914.db2.gz ILIXTXURKNDVBW-UHFFFAOYSA-N -1 0 382.375 0.153 20 0 GCADRM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573398343 947980301 /nfs/dbraw/zinc/98/03/01/947980301.db2.gz JYVFZFPSKYXZTK-ZETCQYMHSA-N -1 0 386.869 0.762 20 0 GCADRM CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@]2(C(=O)[O-])CCCO2)CC1 ZINC001602744867 971445285 /nfs/dbraw/zinc/44/52/85/971445285.db2.gz DXXRQKMTNAHHCB-LJQANCHMSA-N -1 0 375.425 0.605 20 0 GCADRM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001573398909 947985582 /nfs/dbraw/zinc/98/55/82/947985582.db2.gz QNQUVMDABSOVFO-BQBZGAKWSA-N -1 0 386.869 0.760 20 0 GCADRM CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nnn[n-]2)c(Cl)s1 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C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681866 948214626 /nfs/dbraw/zinc/21/46/26/948214626.db2.gz YFVIUJMIVWVDLO-RISCZKNCSA-N -1 0 379.428 0.584 20 0 GCADRM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681867 948215072 /nfs/dbraw/zinc/21/50/72/948215072.db2.gz YFVIUJMIVWVDLO-SMDDNHRTSA-N -1 0 379.428 0.584 20 0 GCADRM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCC1)c1cnn(C)c1 ZINC001573691203 948238731 /nfs/dbraw/zinc/23/87/31/948238731.db2.gz DYKVRQFQHUYZTK-LLVKDONJSA-N -1 0 382.432 0.067 20 0 GCADRM CC(=O)N1CC[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)c2ccccc21 ZINC001573439975 948259149 /nfs/dbraw/zinc/25/91/49/948259149.db2.gz XQOFMUTYLHDBFQ-LLVKDONJSA-N -1 0 382.384 0.576 20 0 GCADRM CC(=O)NCCN(C(=O)c1[nH]ncc1I)[C@@H](C)C(=O)[O-] ZINC001602757816 971474125 /nfs/dbraw/zinc/47/41/25/971474125.db2.gz MRUAQPQJKWXFLT-LURJTMIESA-N -1 0 394.169 0.066 20 0 GCADRM CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001602758115 971475364 /nfs/dbraw/zinc/47/53/64/971475364.db2.gz WHSFFQOOLOVHPX-VIFPVBQESA-N -1 0 380.369 0.888 20 0 GCADRM CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)c(C)cc2c1 ZINC001602758152 971475585 /nfs/dbraw/zinc/47/55/85/971475585.db2.gz XYIWWLUHAJRIQM-LLVKDONJSA-N -1 0 395.437 0.436 20 0 GCADRM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573704982 948388466 /nfs/dbraw/zinc/38/84/66/948388466.db2.gz FMJYWLOFOKMPEY-TZMCWYRMSA-N -1 0 386.460 0.804 20 0 GCADRM C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1)c1cnn(C)c1 ZINC001573705102 948391869 /nfs/dbraw/zinc/39/18/69/948391869.db2.gz FSZLXZUGTQGNFN-VXGBXAGGSA-N -1 0 382.432 0.136 20 0 GCADRM CC(=O)NCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H](C)C(=O)[O-] ZINC001602758315 971476767 /nfs/dbraw/zinc/47/67/67/971476767.db2.gz BHVIVGKDKLVVPX-JTQLQIEISA-N -1 0 377.488 0.410 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001573705418 948400515 /nfs/dbraw/zinc/40/05/15/948400515.db2.gz WQDYWVXOYPZLLW-NEPJUHHUSA-N -1 0 376.421 0.111 20 0 GCADRM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573705546 948403778 /nfs/dbraw/zinc/40/37/78/948403778.db2.gz FZSGVMZRNSIKGL-DTWKUNHWSA-N -1 0 386.338 0.177 20 0 GCADRM C[C@@H](C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nnn[n-]2)n1 ZINC001573706277 948415822 /nfs/dbraw/zinc/41/58/22/948415822.db2.gz HZEXFPRZCMCXIP-STQMWFEESA-N -1 0 390.448 0.501 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573706250 948416087 /nfs/dbraw/zinc/41/60/87/948416087.db2.gz ZRXHQDAUQSYIJM-OLZOCXBDSA-N -1 0 382.432 0.447 20 0 GCADRM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)C(F)(F)F ZINC001573708258 948446179 /nfs/dbraw/zinc/44/61/79/948446179.db2.gz SHKSOTFALUTQQF-DTWKUNHWSA-N -1 0 386.338 0.177 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573708941 948464407 /nfs/dbraw/zinc/46/44/07/948464407.db2.gz ZCWQCHTXCHKIKC-CHWSQXEVSA-N -1 0 383.416 0.041 20 0 GCADRM C[C@H](C(=O)NCCOCCN(C)c1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001573715913 948494706 /nfs/dbraw/zinc/49/47/06/948494706.db2.gz ARXLWDVWEJGIGM-STQMWFEESA-N -1 0 390.448 0.041 20 0 GCADRM C[C@@H](C(=O)NCCNC(=O)OCc1ccccc1)n1cnc(-c2nnn[n-]2)n1 ZINC001573717541 948510885 /nfs/dbraw/zinc/51/08/85/948510885.db2.gz FKCMLYUGQVLHFK-NSHDSACASA-N -1 0 385.388 0.062 20 0 GCADRM CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1Br ZINC001602764997 971485627 /nfs/dbraw/zinc/48/56/27/971485627.db2.gz CZCSDFAEGBTXHM-LBPRGKRZSA-N -1 0 395.231 0.521 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1C)n1cccc1 ZINC001573726283 948549934 /nfs/dbraw/zinc/54/99/34/948549934.db2.gz HTXSPAXXHSUPNC-MGPQQGTHSA-N -1 0 381.444 0.908 20 0 GCADRM C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nnn[n-]2)c(Cl)s1)n1cncn1 ZINC001573732215 948601823 /nfs/dbraw/zinc/60/18/23/948601823.db2.gz MVCSPNWTTXUUJR-NKWVEPMBSA-N -1 0 382.841 0.746 20 0 GCADRM C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)n1cnc(-c2nnn[n-]2)n1 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/nfs/dbraw/zinc/85/13/64/954851364.db2.gz BVPULVXDKCDRLI-PXAZEXFGSA-N -1 0 399.469 0.788 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CC[C@@](COC)(C(=O)[O-])C2)c1 ZINC001593801617 954852604 /nfs/dbraw/zinc/85/26/04/954852604.db2.gz GWQOYYONKXLYMJ-MRXNPFEDSA-N -1 0 385.442 0.858 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1C ZINC001593801780 954853449 /nfs/dbraw/zinc/85/34/49/954853449.db2.gz VPHRCZSDTADXFP-NSHDSACASA-N -1 0 383.426 0.165 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001593801941 954855865 /nfs/dbraw/zinc/85/58/65/954855865.db2.gz MPHPROMXZDCBLS-CYBMUJFWSA-N -1 0 381.414 0.584 20 0 GCADRM CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001593802238 954858727 /nfs/dbraw/zinc/85/87/27/954858727.db2.gz TYWZCPFJRQZSRB-KGLIPLIRSA-N -1 0 384.454 0.523 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC001594935737 954858792 /nfs/dbraw/zinc/85/87/92/954858792.db2.gz WLZSLMJECOMEDC-ZDUSSCGKSA-N -1 0 376.475 0.545 20 0 GCADRM O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001594935769 954859684 /nfs/dbraw/zinc/85/96/84/954859684.db2.gz XSZNLGIEFXLCBU-MRXNPFEDSA-N -1 0 395.481 0.809 20 0 GCADRM COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001593803923 954874315 /nfs/dbraw/zinc/87/43/15/954874315.db2.gz DVTHDDWTSDFIIT-NEPJUHHUSA-N -1 0 387.458 0.439 20 0 GCADRM COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC001593805291 954893778 /nfs/dbraw/zinc/89/37/78/954893778.db2.gz FNPPCKLWXAAGEW-QMMMGPOBSA-N -1 0 392.343 0.801 20 0 GCADRM COC(=O)[C@H](C)[C@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC001593805331 954894711 /nfs/dbraw/zinc/89/47/11/954894711.db2.gz GSKVDRWRSTVPBG-XPKDYRNWSA-N -1 0 376.409 0.976 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)NCCCN2CCCS2(=O)=O)Cc2ccccc21 ZINC001594946686 954916615 /nfs/dbraw/zinc/91/66/15/954916615.db2.gz PBQYRRUFLKUZMD-OAHLLOKOSA-N -1 0 381.454 0.806 20 0 GCADRM COC(=O)[C@@H](NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(OC)cc1 ZINC001593809979 954925557 /nfs/dbraw/zinc/92/55/57/954925557.db2.gz DJPGYVGVSZUTIR-HIFRSBDPSA-N -1 0 378.381 0.349 20 0 GCADRM O=C([O-])C1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001594947955 954932862 /nfs/dbraw/zinc/93/28/62/954932862.db2.gz FOFQFAUJUPUQQN-YPMHNXCESA-N -1 0 388.829 0.007 20 0 GCADRM COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](OC)C(=O)[O-] ZINC001593810535 954933263 /nfs/dbraw/zinc/93/32/63/954933263.db2.gz JMGKMFZXRFZVDI-MNOVXSKESA-N -1 0 379.287 0.885 20 0 GCADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC001589473692 954937655 /nfs/dbraw/zinc/93/76/55/954937655.db2.gz HXQLJOVLBSTBMU-BGMSHATGSA-N -1 0 389.470 0.893 20 0 GCADRM COC(=O)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)c1ccc(OC)cc1OC ZINC001593811799 954950212 /nfs/dbraw/zinc/95/02/12/954950212.db2.gz SRQPZSVIWYELSB-CQSZACIVSA-N -1 0 375.337 0.836 20 0 GCADRM CC(C)C[C@H](CNC(=O)N1CCC(N2CCCS2(=O)=O)CC1)C(=O)[O-] ZINC001603009027 972059318 /nfs/dbraw/zinc/05/93/18/972059318.db2.gz PADCTROZJQVMIP-CYBMUJFWSA-N -1 0 375.491 0.943 20 0 GCADRM COC(=O)[C@]1(N2CCN(C(=O)NCc3ccccc3C(=O)[O-])CC2)CCOC1 ZINC001593814818 954993034 /nfs/dbraw/zinc/99/30/34/954993034.db2.gz UELBIWBWISIQKZ-IBGZPJMESA-N -1 0 391.424 0.544 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001594959652 955000635 /nfs/dbraw/zinc/00/06/35/955000635.db2.gz AEHKRJIVPXPVKV-MNOVXSKESA-N -1 0 382.221 0.737 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC001594960050 955007017 /nfs/dbraw/zinc/00/70/17/955007017.db2.gz NLWANOMHTZXNMP-STQMWFEESA-N -1 0 388.348 0.168 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001594960409 955010596 /nfs/dbraw/zinc/01/05/96/955010596.db2.gz WZCIEDWBZCAZHF-GJZGRUSLSA-N -1 0 394.449 0.249 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCOCC(F)(F)C(F)(F)F ZINC001594960568 955012173 /nfs/dbraw/zinc/01/21/73/955012173.db2.gz ZKBRVMZEAVZXCT-ZETCQYMHSA-N -1 0 383.291 0.301 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cccc(NC(N)=O)c1)C[C@H]2C(=O)[O-] ZINC001593818811 955012610 /nfs/dbraw/zinc/01/26/10/955012610.db2.gz CJCBMKJVDOMYTB-HLZQHVJHSA-N -1 0 375.381 0.903 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C1CCN(C(=O)C(C)C)CC1)C[C@@H]2C(=O)[O-] ZINC001593819208 955015145 /nfs/dbraw/zinc/01/51/45/955015145.db2.gz APYXVZVXUOHWFM-RDYUPDBUSA-N -1 0 394.468 0.993 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C[C@H]2C(=O)[O-] ZINC001593819488 955017227 /nfs/dbraw/zinc/01/72/27/955017227.db2.gz CSTXZLYRVWADPT-HHLNLJNRSA-N -1 0 375.443 0.168 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001594961811 955019440 /nfs/dbraw/zinc/01/94/40/955019440.db2.gz MNHIZXUSSQOPDK-AWEZNQCLSA-N -1 0 394.380 0.300 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1ccc3[nH]c(CO)nc3c1)C[C@H]2C(=O)[O-] ZINC001593819598 955019812 /nfs/dbraw/zinc/01/98/12/955019812.db2.gz JNULYMBSBJFKEL-WZEQGRABSA-N -1 0 387.392 0.781 20 0 GCADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CNS(=O)(=O)c1cccnc1 ZINC001594962286 955022444 /nfs/dbraw/zinc/02/24/44/955022444.db2.gz BHWNBULSWHOPFN-MRXNPFEDSA-N -1 0 375.406 0.571 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)CCCn1ccccc1=O)C[C@H]2C(=O)[O-] ZINC001593819873 955023620 /nfs/dbraw/zinc/02/36/20/955023620.db2.gz HMTDWTBJCAKOKN-BIWSTMPVSA-N -1 0 376.409 0.741 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CCC3(C1)OCCO3)C[C@H]2C(=O)[O-] ZINC001593820205 955026916 /nfs/dbraw/zinc/02/69/16/955026916.db2.gz AGHSIXXOUMRTAF-HASVCBABSA-N -1 0 382.413 0.577 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@H]1CCN(C(C)(C)C)C1=O)C[C@@H]2C(=O)[O-] ZINC001593820200 955027566 /nfs/dbraw/zinc/02/75/66/955027566.db2.gz ADYFPTRMKHXQHD-FCQYYXGDSA-N -1 0 395.456 0.681 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1C[C@@H]3CCCCN3C1=O)C[C@H]2C(=O)[O-] ZINC001593820276 955028531 /nfs/dbraw/zinc/02/85/31/955028531.db2.gz BHAMKYLLGARONI-LDBCGFFOSA-N -1 0 393.440 0.435 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1C[C@H]3CCCCN3C1=O)C[C@@H]2C(=O)[O-] ZINC001593820278 955028683 /nfs/dbraw/zinc/02/86/83/955028683.db2.gz BHAMKYLLGARONI-XVZMQZKSSA-N -1 0 393.440 0.435 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cccn(Cc2ccccc2)c1=O ZINC001594963145 955028911 /nfs/dbraw/zinc/02/89/11/955028911.db2.gz WVDHORVJOLOQTE-OAHLLOKOSA-N -1 0 390.417 0.220 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC001594963174 955029077 /nfs/dbraw/zinc/02/90/77/955029077.db2.gz YDGOZASKLBRHHP-RYUDHWBXSA-N -1 0 396.234 0.805 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@H](OC)[C@@H]1CCOC1)C[C@@H]2C(=O)[O-] ZINC001593820340 955029861 /nfs/dbraw/zinc/02/98/61/955029861.db2.gz CLBVSOXFWYLHOO-WVFYJGRVSA-N -1 0 384.429 0.333 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H]1CCCN(C(=O)C3CC3)C1)C[C@@H]2C(=O)[O-] ZINC001593820684 955033402 /nfs/dbraw/zinc/03/34/02/955033402.db2.gz MHJPMCZFSRNZRR-UTFQJDELSA-N -1 0 392.452 0.747 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1cc(F)cc3n[nH]nc31)C[C@@H]2C(=O)[O-] ZINC001593820862 955036100 /nfs/dbraw/zinc/03/61/00/955036100.db2.gz VFOCCSHSGBORNU-CAIVUQPDSA-N -1 0 376.344 0.823 20 0 GCADRM COC(=O)[C@@H]1CC12CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)CC2 ZINC001593821118 955037947 /nfs/dbraw/zinc/03/79/47/955037947.db2.gz PCJZHKNZFXLNCX-QWHCGFSZSA-N -1 0 381.429 0.437 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C[C@@H]2C(=O)[O-] ZINC001593821756 955046656 /nfs/dbraw/zinc/04/66/56/955046656.db2.gz VTTZGXQEZIFCKZ-GWUZIGMUSA-N -1 0 387.454 0.314 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N=c1ccnc3n(C)[nH]cc1-3)C[C@H]2C(=O)[O-] ZINC001593821794 955046732 /nfs/dbraw/zinc/04/67/32/955046732.db2.gz ODBUWIMIWLOFDK-WESRAFIDSA-N -1 0 387.396 0.460 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)[C@H](C(C)C)N1CCCC1=O)C[C@H]2C(=O)[O-] ZINC001593821886 955047888 /nfs/dbraw/zinc/04/78/88/955047888.db2.gz WGWWRHGIBXAQKI-RKKLVALLSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H](c1nncn1C)C(C)C)C[C@@H]2C(=O)[O-] ZINC001593822460 955054151 /nfs/dbraw/zinc/05/41/51/955054151.db2.gz YMOJJDSDURWHCU-YMOZUKEZSA-N -1 0 393.444 0.808 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCCS(=O)(=O)C(C)C)C[C@@H]2C(=O)[O-] ZINC001593822416 955054582 /nfs/dbraw/zinc/05/45/82/955054582.db2.gz XEHBQQMGQBANHG-BWBHSNQOSA-N -1 0 390.458 0.105 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NC[C@]1(OC(C)C)CCOC1)C[C@@H]2C(=O)[O-] ZINC001593822488 955054731 /nfs/dbraw/zinc/05/47/31/955054731.db2.gz YXCCDEISIKLRST-URSRKNFFSA-N -1 0 398.456 0.866 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H](C)CN1CCCC1=O)C[C@@H]2C(=O)[O-] ZINC001593822532 955055786 /nfs/dbraw/zinc/05/57/86/955055786.db2.gz ZYKMZFUCMXDICG-WELLJHPMSA-N -1 0 381.429 0.293 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCc1nnc(C3CC3)[nH]1)C[C@@H]2C(=O)[O-] ZINC001593822984 955058202 /nfs/dbraw/zinc/05/82/02/955058202.db2.gz FMFZROBMNGEIKB-VVHFOWEKSA-N -1 0 377.401 0.478 20 0 GCADRM O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cccc(I)c1 ZINC001594966300 955059987 /nfs/dbraw/zinc/05/99/87/955059987.db2.gz YNBNYORBRYJJHI-LLVKDONJSA-N -1 0 395.218 0.975 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)c1c(C)oc3nc[nH]c(=O)c31)C[C@@H]2C(=O)[O-] ZINC001593823263 955060370 /nfs/dbraw/zinc/06/03/70/955060370.db2.gz JOFLRTZTGRTFKE-ITWSWRFCSA-N -1 0 389.364 0.963 20 0 GCADRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1Cc1cccc(I)c1 ZINC001594966301 955060702 /nfs/dbraw/zinc/06/07/02/955060702.db2.gz YNBNYORBRYJJHI-NSHDSACASA-N -1 0 395.218 0.975 20 0 GCADRM COC(=O)C1CC2(C1)CN(C(=O)NCC1N=NC(=O)N1C1CC1)C[C@H]2C(=O)[O-] ZINC001593824727 955085733 /nfs/dbraw/zinc/08/57/33/955085733.db2.gz WRFDJCAHIOQNMS-LGNJSRAPSA-N -1 0 393.400 0.114 20 0 GCADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cnc3n1CCCC3)C[C@H]2C(=O)[O-] ZINC001593827006 955111217 /nfs/dbraw/zinc/11/12/17/955111217.db2.gz ZCOJSAPJUHCVPQ-JKGQDXBKSA-N -1 0 397.453 0.494 20 0 GCADRM COC(=O)C1CC2(C1)CN(S(=O)(=O)c1cccc3c1OCC3)C[C@@H]2C(=O)[O-] ZINC001593827019 955111381 /nfs/dbraw/zinc/11/13/81/955111381.db2.gz ZIOAQGFESCSMEE-YNAXMUEKSA-N -1 0 395.433 0.896 20 0 GCADRM CC[C@H](CNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)[O-] ZINC001589526272 955118520 /nfs/dbraw/zinc/11/85/20/955118520.db2.gz PEHILAWLVKWSHG-OAHLLOKOSA-N -1 0 397.497 0.674 20 0 GCADRM CC[C@@H](CNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)[O-] ZINC001589526266 955119081 /nfs/dbraw/zinc/11/90/81/955119081.db2.gz PEHILAWLVKWSHG-HNNXBMFYSA-N -1 0 397.497 0.674 20 0 GCADRM CC[C@H](CNC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)[O-] ZINC001589526309 955120100 /nfs/dbraw/zinc/12/01/00/955120100.db2.gz ROKCUCBCJFSERW-SECBINFHSA-N -1 0 393.259 0.954 20 0 GCADRM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593828204 955123032 /nfs/dbraw/zinc/12/30/32/955123032.db2.gz NYKRFHWJHLSPJH-GXTWGEPZSA-N -1 0 379.365 0.717 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC001593835634 955179054 /nfs/dbraw/zinc/17/90/54/955179054.db2.gz DNCJMRSBBDXEFL-SNVBAGLBSA-N -1 0 376.369 0.158 20 0 GCADRM COC(=O)CCN(CC(=O)[O-])C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC001593835659 955179064 /nfs/dbraw/zinc/17/90/64/955179064.db2.gz FTCLCJYPIYUQNN-UHFFFAOYSA-N -1 0 375.381 0.641 20 0 GCADRM CC(=O)N[C@@H](CC(=O)N1CCN(C(=O)C(=O)[O-])CC1)c1c(F)cccc1F ZINC000737542666 955220595 /nfs/dbraw/zinc/22/05/95/955220595.db2.gz IWJBWJPHLMPADW-ZDUSSCGKSA-N -1 0 383.351 0.288 20 0 GCADRM CCCn1c2ccccc2n(CCC(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1=O ZINC000737836716 955227877 /nfs/dbraw/zinc/22/78/77/955227877.db2.gz IYCAJZBDZSBQCR-UHFFFAOYSA-N -1 0 388.424 0.359 20 0 GCADRM Cc1c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)nnn1-c1cccc2cccnc21 ZINC000738169748 955234200 /nfs/dbraw/zinc/23/42/00/955234200.db2.gz TXIQKBDYPWEXFC-UHFFFAOYSA-N -1 0 394.391 0.493 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000738516847 955245177 /nfs/dbraw/zinc/24/51/77/955245177.db2.gz KGSPAWBPQZCLKJ-UHFFFAOYSA-N -1 0 393.293 0.730 20 0 GCADRM O=C([O-])C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000738517889 955246662 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378.381 0.627 20 0 GCADRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594499572 955313852 /nfs/dbraw/zinc/31/38/52/955313852.db2.gz XZDWQFNAYJWDJB-QWHCGFSZSA-N -1 0 385.442 0.625 20 0 GCADRM Cc1noc(CCCNC(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)n1 ZINC001594500059 955316034 /nfs/dbraw/zinc/31/60/34/955316034.db2.gz JYPVOCCTTVIYMU-STQMWFEESA-N -1 0 376.417 0.944 20 0 GCADRM Cc1noc(C[C@@H]2CCCN(C(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)C2)n1 ZINC001594500487 955318475 /nfs/dbraw/zinc/31/84/75/955318475.db2.gz RBTCTNGWMJYKDZ-LBPRGKRZSA-N -1 0 385.442 0.439 20 0 GCADRM CN(CC(=O)N1CCC[C@H](CC(=O)[O-])C1)C1=NS(=O)(=O)c2ccccc21 ZINC000769524778 955320716 /nfs/dbraw/zinc/32/07/16/955320716.db2.gz FAVYETHYKQASAZ-GFCCVEGCSA-N -1 0 379.438 0.781 20 0 GCADRM CN(CC(=O)N1CCCC[C@@H]1CC(=O)[O-])C1=NS(=O)(=O)c2ccccc21 ZINC000779436552 955339964 /nfs/dbraw/zinc/33/99/64/955339964.db2.gz FFJDCWVQJDGOGZ-GFCCVEGCSA-N -1 0 379.438 0.923 20 0 GCADRM 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0 GCADRM COC(=O)CC[C@H](NC(=O)c1cc(Br)c(C=O)n1C)C(=O)[O-] ZINC001593843889 955385739 /nfs/dbraw/zinc/38/57/39/955385739.db2.gz ADUXLEUIDWCKTL-QMMMGPOBSA-N -1 0 375.175 0.736 20 0 GCADRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@H](C)[C@H]1C(=O)[O-])C2=O ZINC000818329649 955393268 /nfs/dbraw/zinc/39/32/68/955393268.db2.gz BCVJAYDVCRYQLU-FFRAGROBSA-N -1 0 380.445 0.703 20 0 GCADRM O=C([O-])c1cc(Br)ccc1NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000386928908 972092219 /nfs/dbraw/zinc/09/22/19/972092219.db2.gz FNUKIHSDMZHBKE-DTORHVGOSA-N -1 0 382.170 0.884 20 0 GCADRM C[C@@H]1CCCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)[C@H]1C(=O)[O-] ZINC000818326644 955394669 /nfs/dbraw/zinc/39/46/69/955394669.db2.gz ZDDKJTQOYMRUGF-IAQYHMDHSA-N -1 0 379.438 0.779 20 0 GCADRM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589013108 955398588 /nfs/dbraw/zinc/39/85/88/955398588.db2.gz PMJWEXKWQYWOPG-WDEREUQCSA-N -1 0 375.468 0.956 20 0 GCADRM COC(=O)c1sc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C(=O)OC)c1C ZINC000818528101 955401933 /nfs/dbraw/zinc/40/19/33/955401933.db2.gz JOIZTLTYQNEJRF-SECBINFHSA-N -1 0 384.410 0.975 20 0 GCADRM COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001593845261 955406511 /nfs/dbraw/zinc/40/65/11/955406511.db2.gz PVAOBQVYIBWUCG-BXKDBHETSA-N -1 0 381.410 0.363 20 0 GCADRM COC(=O)CC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)[O-] ZINC001593845508 955409192 /nfs/dbraw/zinc/40/91/92/955409192.db2.gz IVKBOMJECGFERG-RYUDHWBXSA-N -1 0 387.433 0.060 20 0 GCADRM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)cnc21 ZINC001594515072 955410484 /nfs/dbraw/zinc/41/04/84/955410484.db2.gz DCNPCOXODMRBQY-LJQANCHMSA-N -1 0 382.376 0.806 20 0 GCADRM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001593845723 955411644 /nfs/dbraw/zinc/41/16/44/955411644.db2.gz WOXKNPNCAVVRRD-SKDRFNHKSA-N -1 0 381.410 0.363 20 0 GCADRM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC001589013920 955411765 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378.429 0.606 20 0 GCADRM COC(=O)CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)C(=O)[O-] ZINC001593846588 955422118 /nfs/dbraw/zinc/42/21/18/955422118.db2.gz VSHHTHMMALNPQM-BBATYDOGSA-N -1 0 397.428 0.400 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC001593847277 955430316 /nfs/dbraw/zinc/43/03/16/955430316.db2.gz JONKNOCPEUULAN-ZFWWWQNUSA-N -1 0 391.424 0.525 20 0 GCADRM COC(=O)CC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)[O-] ZINC001593847551 955433095 /nfs/dbraw/zinc/43/30/95/955433095.db2.gz RHJAAUVKQFUYNN-NSHDSACASA-N -1 0 377.802 0.880 20 0 GCADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000819344458 955440920 /nfs/dbraw/zinc/44/09/20/955440920.db2.gz MPEKCAQPIGLHFL-JSGCOSHPSA-N -1 0 376.413 0.890 20 0 GCADRM COC(=O)CCc1csc(NC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001593849704 955443513 /nfs/dbraw/zinc/44/35/13/955443513.db2.gz FAUGUQRLVJNQQD-NSHDSACASA-N -1 0 398.441 0.836 20 0 GCADRM 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ZINC000663348006 975946562 /nfs/dbraw/zinc/94/65/62/975946562.db2.gz DMSVBJCIOAHFBP-TXEJJXNPSA-N -1 0 379.417 0.505 20 0 GCADRM COc1ccnc(N2CCN(S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)CC2)n1 ZINC000663421580 975949858 /nfs/dbraw/zinc/94/98/58/975949858.db2.gz UURPCFMWONWZCG-UHFFFAOYSA-N -1 0 382.398 0.596 20 0 GCADRM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C(N)=O ZINC001591781198 975952314 /nfs/dbraw/zinc/95/23/14/975952314.db2.gz VOJLPHJXPRMHGL-NSHDSACASA-N -1 0 375.381 0.801 20 0 GCADRM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C(N)=O ZINC001591781334 975952535 /nfs/dbraw/zinc/95/25/35/975952535.db2.gz XJTRQALNHQHGPE-ZDUSSCGKSA-N -1 0 377.397 0.881 20 0 GCADRM COCCNC(=O)c1cccc(S(=O)(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000666169039 975960719 /nfs/dbraw/zinc/96/07/19/975960719.db2.gz QDBCMJZHLUOVJY-OAHLLOKOSA-N -1 0 396.465 0.938 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CCO1 ZINC000666546666 975970179 /nfs/dbraw/zinc/97/01/79/975970179.db2.gz OATQEHGAGFDKSV-HIFRSBDPSA-N -1 0 377.397 0.161 20 0 GCADRM COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000668303770 975992356 /nfs/dbraw/zinc/99/23/56/975992356.db2.gz TYWFLPQKLQTSBB-UHFFFAOYSA-N -1 0 388.417 0.648 20 0 GCADRM CC(C)Oc1cccc(CN(C)C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)c1 ZINC001591792313 975997968 /nfs/dbraw/zinc/99/79/68/975997968.db2.gz WHEXBSCKMPRLTO-HUUCEWRRSA-N -1 0 378.425 0.726 20 0 GCADRM COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000675095042 976013769 /nfs/dbraw/zinc/01/37/69/976013769.db2.gz IKESGIAXKKFKEF-CQSZACIVSA-N -1 0 392.408 0.476 20 0 GCADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000676869046 976031853 /nfs/dbraw/zinc/03/18/53/976031853.db2.gz VXDKHIREIPBNII-LBPRGKRZSA-N -1 0 387.458 0.371 20 0 GCADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000678991667 976037158 /nfs/dbraw/zinc/03/71/58/976037158.db2.gz WTGPKYBABBZPQS-KGLIPLIRSA-N -1 0 388.417 0.588 20 0 GCADRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000678991669 976037622 /nfs/dbraw/zinc/03/76/22/976037622.db2.gz WTGPKYBABBZPQS-ZIAGYGMSSA-N -1 0 388.417 0.588 20 0 GCADRM CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001591814573 976052764 /nfs/dbraw/zinc/05/27/64/976052764.db2.gz ICFMNXGFZYWGPM-CQSZACIVSA-N -1 0 379.413 0.169 20 0 GCADRM CC(C)Oc1ncccc1NC(=O)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001591814797 976053673 /nfs/dbraw/zinc/05/36/73/976053673.db2.gz NRVORRVUIUHCTB-ZDUSSCGKSA-N -1 0 378.429 0.815 20 0 GCADRM CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])cc1 ZINC001591818332 976057210 /nfs/dbraw/zinc/05/72/10/976057210.db2.gz GHZUSIDPAXSIEU-CQSZACIVSA-N -1 0 382.438 0.165 20 0 GCADRM CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001591820928 976067524 /nfs/dbraw/zinc/06/75/24/976067524.db2.gz YMUSCKYTQBVIHT-UHFFFAOYSA-N -1 0 376.818 0.916 20 0 GCADRM CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000682522911 976074161 /nfs/dbraw/zinc/07/41/61/976074161.db2.gz CBAWIMIFHLUSBJ-CABCVRRESA-N -1 0 385.438 0.950 20 0 GCADRM CCNC(=O)COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1OC ZINC000682523953 976074554 /nfs/dbraw/zinc/07/45/54/976074554.db2.gz MFIJVQJWBVTITF-KGLIPLIRSA-N -1 0 380.397 0.459 20 0 GCADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)O1 ZINC000682524054 976074732 /nfs/dbraw/zinc/07/47/32/976074732.db2.gz QXCPBFKCKIYJFH-CABCVRRESA-N -1 0 395.843 0.737 20 0 GCADRM CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC000682525809 976076539 /nfs/dbraw/zinc/07/65/39/976076539.db2.gz NUGMHPLHMBYCOT-CABCVRRESA-N -1 0 384.454 0.964 20 0 GCADRM CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001591844747 976120981 /nfs/dbraw/zinc/12/09/81/976120981.db2.gz JNUYARDLDGOKCG-MRXNPFEDSA-N -1 0 384.454 0.873 20 0 GCADRM CC(C)[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)C(=O)[O-] ZINC001591870520 976202443 /nfs/dbraw/zinc/20/24/43/976202443.db2.gz MIPPKHGWGOXCDY-AOIWGVFYSA-N -1 0 375.469 0.797 20 0 GCADRM CC(C)[C@H](NC(=O)CN1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1)C(=O)[O-] ZINC001591870676 976203275 /nfs/dbraw/zinc/20/32/75/976203275.db2.gz PTIHDSLJFVLOSV-RDJZCZTQSA-N -1 0 398.481 0.689 20 0 GCADRM CC(C)[C@H](NC(=O)CN1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)[O-] ZINC001591871243 976207299 /nfs/dbraw/zinc/20/72/99/976207299.db2.gz YMHQEGWSXYDOIA-HNAYVOBHSA-N -1 0 399.488 0.924 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC001591873230 976220357 /nfs/dbraw/zinc/22/03/57/976220357.db2.gz UEBNZRPNFLDWTO-YOEHRIQHSA-N -1 0 376.409 0.804 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC001591876911 976227170 /nfs/dbraw/zinc/22/71/70/976227170.db2.gz DGWPELGEJFTKTD-HWYHOQROSA-N -1 0 398.437 0.840 20 0 GCADRM CC(C)[C@H](NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)[O-] ZINC001591876843 976227493 /nfs/dbraw/zinc/22/74/93/976227493.db2.gz CSVXLUTVFDNNAP-ZDUSSCGKSA-N -1 0 378.303 0.636 20 0 GCADRM CC(C)[C@H](NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC001591883347 976240533 /nfs/dbraw/zinc/24/05/33/976240533.db2.gz CQVVCCAYOFGFKX-AWEZNQCLSA-N -1 0 393.425 0.751 20 0 GCADRM CC(C)[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1)C(=O)[O-] ZINC001591883937 976244160 /nfs/dbraw/zinc/24/41/60/976244160.db2.gz VBTWASKNINWCDX-ZDUSSCGKSA-N -1 0 383.474 0.767 20 0 GCADRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001591889940 976258610 /nfs/dbraw/zinc/25/86/10/976258610.db2.gz SCNALPLLLWDPAP-YVEFUNNKSA-N -1 0 389.424 0.677 20 0 GCADRM CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CCN1C ZINC001591907323 976309831 /nfs/dbraw/zinc/30/98/31/976309831.db2.gz MEMGBUGAGCVGAT-UARSRXHTSA-N -1 0 381.473 0.314 20 0 GCADRM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCC(=O)[O-])cc1 ZINC001591972562 976571909 /nfs/dbraw/zinc/57/19/09/976571909.db2.gz NTGCLXKTHRKKAZ-ZFWWWQNUSA-N -1 0 384.454 0.525 20 0 GCADRM CC(C)c1ccc(OCc2nnc(SCC(=O)NCC(=O)[O-])n2N)cc1 ZINC001591973283 976574830 /nfs/dbraw/zinc/57/48/30/976574830.db2.gz YUWPQZPYLVJXAJ-UHFFFAOYSA-N -1 0 379.442 0.987 20 0 GCADRM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC001591973302 976575233 /nfs/dbraw/zinc/57/52/33/976575233.db2.gz ZNUJAIBSTCWCBY-DUVNUKRYSA-N -1 0 398.481 0.913 20 0 GCADRM CC(C)c1ccnc(N2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)CC2)n1 ZINC001592004822 976669172 /nfs/dbraw/zinc/66/91/72/976669172.db2.gz TZBGEVYICXTKBZ-CQSZACIVSA-N -1 0 389.456 0.572 20 0 GCADRM CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NCCSCC(=O)[O-] ZINC001592049852 976781851 /nfs/dbraw/zinc/78/18/51/976781851.db2.gz GJBDFSVICBJVNQ-LLVKDONJSA-N -1 0 389.499 0.914 20 0 GCADRM CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCC(=O)CCC(=O)[O-] ZINC001592050473 976789655 /nfs/dbraw/zinc/78/96/55/976789655.db2.gz UMIKUMQSJQLLCV-NSHDSACASA-N -1 0 386.426 0.957 20 0 GCADRM CC(C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001592061441 976816478 /nfs/dbraw/zinc/81/64/78/976816478.db2.gz SBWMBDBRVNPPPO-INIZCTEOSA-N -1 0 386.474 0.252 20 0 GCADRM CC(C)c1nnc(N2C[C@@H](CC(=O)[O-])[C@H](O)C2)n1CCCN1CCOC1=O ZINC001592075313 976822976 /nfs/dbraw/zinc/82/29/76/976822976.db2.gz CUKBFGCLXPBNDB-CHWSQXEVSA-N -1 0 381.433 0.516 20 0 GCADRM CC(C)c1nnc2n1CCN(CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O)[C@@H]2C ZINC001592092191 976841838 /nfs/dbraw/zinc/84/18/38/976841838.db2.gz ZSSNOLSYGPYCCD-DIFFPNOSSA-N -1 0 378.433 0.911 20 0 GCADRM CC(C)c1noc(CCNC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC001592095245 976854904 /nfs/dbraw/zinc/85/49/04/976854904.db2.gz IMZIHKXKISNWOJ-UHFFFAOYSA-N -1 0 376.369 0.954 20 0 GCADRM CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1)CCC2 ZINC001592131048 976961652 /nfs/dbraw/zinc/96/16/52/976961652.db2.gz LBQRLKDLCPUALI-MELADBBJSA-N -1 0 378.429 0.252 20 0 GCADRM CC(C)n1ncc(C(=O)N2CC(O)(C(=O)[O-])C2)c1I ZINC001592150221 977022463 /nfs/dbraw/zinc/02/24/63/977022463.db2.gz WRTCGOJMONAQSW-UHFFFAOYSA-N -1 0 379.154 0.340 20 0 GCADRM CC(C)n1ncc2cc(C=CC(=O)NCCC(=O)NCCC(=O)[O-])c(=O)[nH]c21 ZINC001592162863 977044349 /nfs/dbraw/zinc/04/43/49/977044349.db2.gz FJZHNBKNTYGYOM-ONEGZZNKSA-N -1 0 389.412 0.416 20 0 GCADRM CC(C)n1nnnc1-c1cccc(NC(=O)C(=O)N2CC3CC2(C(=O)[O-])C3)c1 ZINC001592171872 977076214 /nfs/dbraw/zinc/07/62/14/977076214.db2.gz RLKQHWJVIPPSQZ-UHFFFAOYSA-N -1 0 384.396 0.935 20 0 GCADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001592193868 977156132 /nfs/dbraw/zinc/15/61/32/977156132.db2.gz RPKANHPFCJFYDI-RYBZSIHZSA-N -1 0 398.437 0.662 20 0 GCADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(C)c2I)C1 ZINC000703748105 977184394 /nfs/dbraw/zinc/18/43/94/977184394.db2.gz GDVXQDPCNVNVCZ-NSHDSACASA-N -1 0 379.154 0.340 20 0 GCADRM O=C([O-])C1=CC[C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000703969956 977211693 /nfs/dbraw/zinc/21/16/93/977211693.db2.gz OFAIIQBBMPWNIC-GFCCVEGCSA-N -1 0 378.406 0.766 20 0 GCADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001592216543 977283074 /nfs/dbraw/zinc/28/30/74/977283074.db2.gz IFMXDQPDZYNWIL-WSKFYRRCSA-N -1 0 382.376 0.975 20 0 GCADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC001592216541 977283682 /nfs/dbraw/zinc/28/36/82/977283682.db2.gz IFMXDQPDZYNWIL-SKVAFPRGSA-N -1 0 382.376 0.975 20 0 GCADRM Cc1[nH]nc(S(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1C(=O)[O-] ZINC000706144464 977308717 /nfs/dbraw/zinc/30/87/17/977308717.db2.gz DLLWUEKARSBWHW-UHFFFAOYSA-N -1 0 376.438 0.923 20 0 GCADRM O=C([O-])[C@]1(O)CCN(CC(=O)Nc2ccccc2I)C1 ZINC000706440635 977320559 /nfs/dbraw/zinc/32/05/59/977320559.db2.gz FHKYOIRKFFLHHL-ZDUSSCGKSA-N -1 0 390.177 0.751 20 0 GCADRM C[C@H](CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])n1cc(Br)cn1 ZINC001592234309 977438340 /nfs/dbraw/zinc/43/83/40/977438340.db2.gz WFXQHIOTORWFND-KOLCDFICSA-N -1 0 387.234 0.789 20 0 GCADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CC1)NS(=O)(=O)c1cccnc1Cl ZINC001592245673 977471849 /nfs/dbraw/zinc/47/18/49/977471849.db2.gz JVIXUAJQDSACFL-SECBINFHSA-N 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ZINC001592586366 978507353 /nfs/dbraw/zinc/50/73/53/978507353.db2.gz CFGPNXGXMARPQO-NWDGAFQWSA-N -1 0 380.463 0.605 20 0 GCADRM Cc1nc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)[O-])cn1C ZINC000738363071 978523769 /nfs/dbraw/zinc/52/37/69/978523769.db2.gz BSEVOPCRWQPBJJ-UHFFFAOYSA-N -1 0 394.453 0.163 20 0 GCADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)[O-] ZINC001592601869 978537562 /nfs/dbraw/zinc/53/75/62/978537562.db2.gz GCMLAXLIOBKWRD-UKRRQHHQSA-N -1 0 383.470 0.651 20 0 GCADRM NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000738447167 978539559 /nfs/dbraw/zinc/53/95/59/978539559.db2.gz MBBMRMIBFRBMPO-UHFFFAOYSA-N -1 0 390.421 0.390 20 0 GCADRM O=C([O-])C1(O)CCN(C(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000738486572 978546517 /nfs/dbraw/zinc/54/65/17/978546517.db2.gz KCTLCYQIAXLYLF-UHFFFAOYSA-N -1 0 391.243 0.679 20 0 GCADRM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001592615655 978576296 /nfs/dbraw/zinc/57/62/96/978576296.db2.gz LFUPDNPRQCNKIN-PMPSAXMXSA-N -1 0 391.472 0.069 20 0 GCADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000738693677 978590817 /nfs/dbraw/zinc/59/08/17/978590817.db2.gz LQCMKYPYFQHZPY-UHFFFAOYSA-N -1 0 385.833 0.663 20 0 GCADRM O=C([O-])[C@H](Cc1ccccc1)OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000738715924 978595213 /nfs/dbraw/zinc/59/52/13/978595213.db2.gz XNIPBBXZINBWAR-AWEZNQCLSA-N -1 0 376.390 0.723 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1)Oc1ccc(F)cc1 ZINC001592625878 978606978 /nfs/dbraw/zinc/60/69/78/978606978.db2.gz YQUHNBSHPICAGT-XHDPSFHLSA-N -1 0 382.388 0.393 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)Oc1cccc(Cl)c1 ZINC001592629059 978608272 /nfs/dbraw/zinc/60/82/72/978608272.db2.gz FKBGMIWXTMOMED-RISCZKNCSA-N -1 0 384.816 0.926 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)N1CCc2sccc2C1 ZINC001592629984 978610029 /nfs/dbraw/zinc/61/00/29/978610029.db2.gz NBLHDWKYTYSTPI-FZMZJTMJSA-N -1 0 377.466 0.901 20 0 GCADRM 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C[C@@](CO)(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001592741922 979277765 /nfs/dbraw/zinc/27/77/65/979277765.db2.gz LSGXVETWDCLEHU-KRWDZBQOSA-N -1 0 384.454 0.186 20 0 GCADRM C[C@](CO)(NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1)C(=O)[O-] ZINC001592743320 979283672 /nfs/dbraw/zinc/28/36/72/979283672.db2.gz UHSZIFMYVKPTSL-IFXJQAMLSA-N -1 0 378.425 0.646 20 0 GCADRM CC[C@](CNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)(C(=O)[O-])c1ccccc1 ZINC000840947609 979286306 /nfs/dbraw/zinc/28/63/06/979286306.db2.gz ZWWDHPKEHLOTJC-JPMGXVIASA-N -1 0 385.420 0.646 20 0 GCADRM CC[C@@](CNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)(C(=O)[O-])c1ccccc1 ZINC000840947605 979286325 /nfs/dbraw/zinc/28/63/25/979286325.db2.gz ZWWDHPKEHLOTJC-CFGKVWFZSA-N -1 0 385.420 0.646 20 0 GCADRM C[C@](CO)(NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)[O-] ZINC001592744453 979288435 /nfs/dbraw/zinc/28/84/35/979288435.db2.gz ZCBDRWZPFZKLGX-RFAUZJTJSA-N -1 0 385.214 0.754 20 0 GCADRM COc1ccc(C2=NO[C@@H](CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)C2)cc1C 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DTXCQEGSCJVYFU-NHYWBVRUSA-N -1 0 393.421 0.296 20 0 GCADRM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001592761714 979352449 /nfs/dbraw/zinc/35/24/49/979352449.db2.gz HBHCBGSHOOZZOX-SCRDCRAPSA-N -1 0 384.454 0.719 20 0 GCADRM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001592771198 979385559 /nfs/dbraw/zinc/38/55/59/979385559.db2.gz BQGQNZIAFIEWCH-INWMFGNUSA-N -1 0 376.409 0.507 20 0 GCADRM COc1ccc(C(=O)N2CCN(C(=O)COCC(=O)[O-])CC2)c(OC)c1OC ZINC000844245464 979390649 /nfs/dbraw/zinc/39/06/49/979390649.db2.gz LJPKOLRLRHUVQR-UHFFFAOYSA-N -1 0 396.396 0.098 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1)C(=O)[O-] ZINC001592797627 979441466 /nfs/dbraw/zinc/44/14/66/979441466.db2.gz GWBDVJDVZYECFG-GFCCVEGCSA-N -1 0 382.504 0.317 20 0 GCADRM C[C@@H](CS(=O)(=O)N1C[C@H](O)C[C@H]1c1nnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC001592799928 979455744 /nfs/dbraw/zinc/45/57/44/979455744.db2.gz HIXJVOYHRKQWLX-UHTWSYAYSA-N -1 0 380.426 0.630 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)C(=O)[O-] ZINC001592800113 979457763 /nfs/dbraw/zinc/45/77/63/979457763.db2.gz KHYVGXWBXWCGRQ-BXUZGUMPSA-N -1 0 391.467 0.514 20 0 GCADRM Cc1cc(F)c(S(=O)(=O)N2CCN(c3nncn3C)CC2)cc1C(=O)[O-] ZINC000846767169 979465788 /nfs/dbraw/zinc/46/57/88/979465788.db2.gz GEYZERVKXNDPAB-UHFFFAOYSA-N -1 0 383.405 0.472 20 0 GCADRM C[C@H](CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)[O-] ZINC001592806996 979472817 /nfs/dbraw/zinc/47/28/17/979472817.db2.gz BPHDVSNXNSIFRX-VXGBXAGGSA-N -1 0 392.474 0.795 20 0 GCADRM CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(=O)[O-])C2)n1C[C@H]1CCOC1 ZINC001595121005 979484070 /nfs/dbraw/zinc/48/40/70/979484070.db2.gz BVIJTNUPUDNHQZ-TZMCWYRMSA-N -1 0 395.460 0.523 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)O2 ZINC000849182675 979486871 /nfs/dbraw/zinc/48/68/71/979486871.db2.gz ITUYDGDCFYLKJI-UPJWGTAASA-N -1 0 384.429 0.903 20 0 GCADRM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001592815916 979512025 /nfs/dbraw/zinc/51/20/25/979512025.db2.gz LGRCQXHTXXRVEA-JTQLQIEISA-N -1 0 375.472 0.711 20 0 GCADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)o1 ZINC000851596996 979512931 /nfs/dbraw/zinc/51/29/31/979512931.db2.gz VWOCJAHABIOQRM-DUXPYHPUSA-N -1 0 395.393 0.653 20 0 GCADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 ZINC000851603978 979527538 /nfs/dbraw/zinc/52/75/38/979527538.db2.gz ZBKIIDPCOWBNMY-KXQLTZBTSA-N -1 0 398.437 0.644 20 0 GCADRM C[C@H](C[S@@](C)=O)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592822715 979530476 /nfs/dbraw/zinc/53/04/76/979530476.db2.gz SBOMLNRBENYOGR-RPHGYIDUSA-N -1 0 381.454 0.807 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C(=O)[O-] ZINC001595134095 979564191 /nfs/dbraw/zinc/56/41/91/979564191.db2.gz RDTMBMHDEUGLLS-JTQLQIEISA-N -1 0 385.367 0.967 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(=O)OC ZINC001595135503 979576937 /nfs/dbraw/zinc/57/69/37/979576937.db2.gz UQXVNOIRZUNMNB-DTWKUNHWSA-N -1 0 383.426 0.587 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(=O)OC ZINC001595135505 979577092 /nfs/dbraw/zinc/57/70/92/979577092.db2.gz UQXVNOIRZUNMNB-RKDXNWHRSA-N -1 0 383.426 0.587 20 0 GCADRM C[C@](Cc1ccc(F)cc1)(NC(=O)CNS(=O)(=O)c1cccnc1)C(=O)[O-] ZINC001592846455 979619449 /nfs/dbraw/zinc/61/94/49/979619449.db2.gz MWXOSBRLODHNLF-QGZVFWFLSA-N -1 0 395.412 0.701 20 0 GCADRM Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000857253369 979626641 /nfs/dbraw/zinc/62/66/41/979626641.db2.gz KYEKOQSPZQSZGI-KSSFIOAISA-N -1 0 378.429 0.015 20 0 GCADRM CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000859773516 979627655 /nfs/dbraw/zinc/62/76/55/979627655.db2.gz GAUFXFSSMUZTFY-RISCZKNCSA-N -1 0 377.397 0.828 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1)C(=O)[O-] ZINC001592852793 979638114 /nfs/dbraw/zinc/63/81/14/979638114.db2.gz FHEDJEQDIRFZFJ-MLGOLLRUSA-N -1 0 378.425 0.792 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCO[C@H]2C)cc1)C(=O)[O-] ZINC001592854921 979658659 /nfs/dbraw/zinc/65/86/59/979658659.db2.gz XQZMIIHGFBLPAT-DVOMOZLQSA-N -1 0 378.425 0.887 20 0 GCADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)O1 ZINC000864125657 979725318 /nfs/dbraw/zinc/72/53/18/979725318.db2.gz ZKXOLGQIHXKCRA-KGLIPLIRSA-N -1 0 386.401 0.291 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001595172729 979745310 /nfs/dbraw/zinc/74/53/10/979745310.db2.gz NDRUPBUVJONBHW-VIFPVBQESA-N -1 0 382.435 0.438 20 0 GCADRM O=C([O-])c1cnn(CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000864143396 979749061 /nfs/dbraw/zinc/74/90/61/979749061.db2.gz KFLNEQBWTTXHMD-UHFFFAOYSA-N -1 0 398.363 0.259 20 0 GCADRM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2COC)CC1 ZINC001595173806 979751387 /nfs/dbraw/zinc/75/13/87/979751387.db2.gz DSGDNWXAXMKHIK-HNNXBMFYSA-N 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CC[C@@](COC)(NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)[O-] ZINC001595194285 979897732 /nfs/dbraw/zinc/89/77/32/979897732.db2.gz QHTARLAOXXBELA-INIZCTEOSA-N -1 0 388.442 0.982 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000864212323 979898405 /nfs/dbraw/zinc/89/84/05/979898405.db2.gz FHRMVAZQKXLCGU-PIGZYNQJSA-N -1 0 375.381 0.358 20 0 GCADRM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000864213287 979899408 /nfs/dbraw/zinc/89/94/08/979899408.db2.gz QQDBVLGVORRNRT-UKRRQHHQSA-N -1 0 382.438 0.594 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)NCc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC001592922764 979916733 /nfs/dbraw/zinc/91/67/33/979916733.db2.gz CITKOOAGJMEEKI-HXUWFJFHSA-N -1 0 399.451 0.759 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])C(=O)OC ZINC001595198150 979923262 /nfs/dbraw/zinc/92/32/62/979923262.db2.gz BEAISYIQFDZDKJ-OAHLLOKOSA-N -1 0 375.399 0.640 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC001592923833 979928102 /nfs/dbraw/zinc/92/81/02/979928102.db2.gz DSCXNXAKDWTYOS-LIRRHRJNSA-N -1 0 384.392 0.362 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC001595198733 979930183 /nfs/dbraw/zinc/93/01/83/979930183.db2.gz MSHOUAXUYTYBAB-AWEZNQCLSA-N -1 0 377.440 0.175 20 0 GCADRM C[C@](Cn1cccn1)(NCC(=O)NCc1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC001592924833 979935317 /nfs/dbraw/zinc/93/53/17/979935317.db2.gz ZUZIYHBFKIGGDB-HXUWFJFHSA-N -1 0 399.451 0.525 20 0 GCADRM CC[C@](COC)(NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001595199175 979936673 /nfs/dbraw/zinc/93/66/73/979936673.db2.gz VBXBPVJSMRULMT-CYBMUJFWSA-N -1 0 389.821 0.678 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)[O-] ZINC001595199176 979936807 /nfs/dbraw/zinc/93/68/07/979936807.db2.gz VBXBPVJSMRULMT-ZDUSSCGKSA-N -1 0 389.821 0.678 20 0 GCADRM COc1ccccc1[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCO1 ZINC000868341733 979951529 /nfs/dbraw/zinc/95/15/29/979951529.db2.gz DISDNVCVSRNVFY-KXBFYZLASA-N -1 0 376.409 0.918 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001592929364 979956544 /nfs/dbraw/zinc/95/65/44/979956544.db2.gz HQMOLYZRBRQYBI-LLVKDONJSA-N -1 0 388.405 0.857 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001592929563 979957227 /nfs/dbraw/zinc/95/72/27/979957227.db2.gz JJOBSQPODYBLLG-VIFPVBQESA-N -1 0 394.434 0.918 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001592929864 979962191 /nfs/dbraw/zinc/96/21/91/979962191.db2.gz OLCKLFOHMWSSPV-LLVKDONJSA-N -1 0 388.405 0.857 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(=O)[O-] ZINC001592930984 979977517 /nfs/dbraw/zinc/97/75/17/979977517.db2.gz POQXOWWQMKBXGI-BBATYDOGSA-N -1 0 384.396 0.556 20 0 GCADRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000871952901 980008888 /nfs/dbraw/zinc/00/88/88/980008888.db2.gz UJPHNKQIBLCXRR-HNNXBMFYSA-N -1 0 385.373 0.195 20 0 GCADRM 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C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@H](O)c1ccc2c(c1)OCO2 ZINC001599902918 984874489 /nfs/dbraw/zinc/87/44/89/984874489.db2.gz PCZNILDOZDYFSF-VFZGTOFNSA-N -1 0 382.394 0.852 20 0 GCADRM CCOC(=O)c1cc(C)sc1NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001596703741 984891154 /nfs/dbraw/zinc/89/11/54/984891154.db2.gz BUURRDOPONBUDX-UWVGGRQHSA-N -1 0 384.410 0.466 20 0 GCADRM CCOC(=O)c1cc(CNc2cccc(S(=O)(=O)NCC(=O)[O-])c2)[nH]n1 ZINC001596706828 984910676 /nfs/dbraw/zinc/91/06/76/984910676.db2.gz MKVDUUFLIQWCTB-UHFFFAOYSA-N -1 0 382.398 0.561 20 0 GCADRM CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001596706922 984912587 /nfs/dbraw/zinc/91/25/87/984912587.db2.gz RDHVKNXIGQHFIZ-CYBMUJFWSA-N -1 0 385.373 0.840 20 0 GCADRM CCOC(=O)c1cc(CS(=O)(=O)N2CCSC[C@H](C(=O)[O-])C2)on1 ZINC001596706986 984912692 /nfs/dbraw/zinc/91/26/92/984912692.db2.gz UUSQRHVMELJZMF-SECBINFHSA-N -1 0 378.428 0.431 20 0 GCADRM C[C@H]1C(=O)NCCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] 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GCADRM CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001590058953 989105887 /nfs/dbraw/zinc/10/58/87/989105887.db2.gz UHZDFCAESQHEJN-ZIAGYGMSSA-N -1 0 384.477 0.949 20 0 GCADRM C[C@@H]1CN(C(=O)NCCn2cc(Br)ccc2=O)C[C@@H](C(=O)[O-])O1 ZINC001599857266 989108733 /nfs/dbraw/zinc/10/87/33/989108733.db2.gz VGDGXHHJVJPVGE-KOLCDFICSA-N -1 0 388.218 0.494 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)CC2(C(=O)[O-])CC2)C1 ZINC001590064638 989114097 /nfs/dbraw/zinc/11/40/97/989114097.db2.gz IPJHCQJQILVBMX-HNNXBMFYSA-N -1 0 392.474 0.797 20 0 GCADRM CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)C2)n1 ZINC001597747878 989124980 /nfs/dbraw/zinc/12/49/80/989124980.db2.gz CDDRIKNBUVBNGG-VEVIJQCQSA-N -1 0 381.429 0.940 20 0 GCADRM CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C2)n1 ZINC001597748271 989129345 /nfs/dbraw/zinc/12/93/45/989129345.db2.gz HCAZPWXYMJMNBQ-HNNXBMFYSA-N -1 0 384.414 0.417 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)CC(C)(C)C(=O)[O-] 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GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC001597778322 989256742 /nfs/dbraw/zinc/25/67/42/989256742.db2.gz BCJWFYYJAGTOKN-JTQLQIEISA-N -1 0 394.471 0.490 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001590105910 989259475 /nfs/dbraw/zinc/25/94/75/989259475.db2.gz PXHVFCTYTOFFJU-DYVFJYSZSA-N -1 0 380.401 0.952 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NC1(C(=O)[O-])CC(CO)C1 ZINC001590106815 989266800 /nfs/dbraw/zinc/26/68/00/989266800.db2.gz ZYRWZTHWNJSVFR-IGTVPJFBSA-N -1 0 380.401 0.543 20 0 GCADRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC001590107097 989267827 /nfs/dbraw/zinc/26/78/27/989267827.db2.gz HPZCYZBEEICUCY-IEBDPFPHSA-N -1 0 386.430 0.927 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)OC ZINC001597779744 989273361 /nfs/dbraw/zinc/27/33/61/989273361.db2.gz IBJXGBYKIFBQNP-NSHDSACASA-N -1 0 382.394 0.998 20 0 GCADRM 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/nfs/dbraw/zinc/08/40/55/996084055.db2.gz DJJFGWSYGVZYAP-GDBMZVCRSA-N -1 0 386.408 0.999 20 0 GCADRM C[C@H](Sc1ccccc1C(=O)NCCc1nnc2c(=O)[nH]ccn12)C(=O)[O-] ZINC001593673491 996085357 /nfs/dbraw/zinc/08/53/57/996085357.db2.gz XTCUHCXHDUHHJS-JTQLQIEISA-N -1 0 387.421 0.955 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)Cc2ccccc2S(C)(=O)=O)[C@H](C(=O)[O-])C1 ZINC001598792723 996087184 /nfs/dbraw/zinc/08/71/84/996087184.db2.gz DSUDPFOADLNRQN-STQMWFEESA-N -1 0 383.422 0.497 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)[C@H](C(=O)[O-])C1 ZINC001598793093 996090236 /nfs/dbraw/zinc/09/02/36/996090236.db2.gz PAGLBBMIUXJLCQ-AGIUHOORSA-N -1 0 376.413 0.583 20 0 GCADRM C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)NCC(=O)[O-] ZINC001593678645 996093960 /nfs/dbraw/zinc/09/39/60/996093960.db2.gz WCTRDQRGIZXFRK-MRVPVSSYSA-N -1 0 383.455 0.563 20 0 GCADRM C[C@H](Sc1nc(CC(=O)N[C@]2(C(=O)[O-])CCSC2)cs1)C(N)=O ZINC001593679120 996098091 /nfs/dbraw/zinc/09/80/91/996098091.db2.gz FGNRYAPWYVFJJO-WPPNPWJKSA-N -1 0 375.497 0.728 20 0 GCADRM C[C@@H](Sc1nc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cs1)C(N)=O ZINC001593679137 996098205 /nfs/dbraw/zinc/09/82/05/996098205.db2.gz FNTJOQJUOCWVBT-SECBINFHSA-N -1 0 387.483 0.744 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)CCOc2ccc(C(N)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598795161 996104468 /nfs/dbraw/zinc/10/44/68/996104468.db2.gz WYKJFRNHHXFDPX-GXTWGEPZSA-N -1 0 378.381 0.419 20 0 GCADRM COC(=O)C1CCN(C(=O)CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)CC1 ZINC001598795411 996107073 /nfs/dbraw/zinc/10/70/73/996107073.db2.gz YRJAAURMFGDLLG-MRXNPFEDSA-N -1 0 380.397 0.528 20 0 GCADRM C[C@@H](Sc1nnc(N2CCOCC2)n1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593685060 996111555 /nfs/dbraw/zinc/11/15/55/996111555.db2.gz JVURGZMXKGANIY-LLVKDONJSA-N -1 0 383.474 0.456 20 0 GCADRM COC(=O)[C@H]1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)[C@@H](C(=O)[O-])C1 ZINC001598796453 996112320 /nfs/dbraw/zinc/11/23/20/996112320.db2.gz URBJIOVHLKFQLU-SWLSCSKDSA-N -1 0 389.408 0.796 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(OC)c2F)[C@@H](C(=O)[O-])C1 ZINC001598796623 996113600 /nfs/dbraw/zinc/11/36/00/996113600.db2.gz AJISWEMUWYRHEI-VHSXEESVSA-N -1 0 375.374 0.861 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CCOCC2CCCC2)[C@H](C(=O)[O-])C1 ZINC001598797575 996118124 /nfs/dbraw/zinc/11/81/24/996118124.db2.gz DXRGOTFAXUEWLY-KGLIPLIRSA-N -1 0 377.459 0.861 20 0 GCADRM COC(=O)[C@@H]1CCN(c2cc(N3CC[C@H](C(=O)[O-])[C@@H]3C)nc3ncnn32)[C@H]1C ZINC001598798616 996124374 /nfs/dbraw/zinc/12/43/74/996124374.db2.gz KDHJDSOTHMZGEQ-ZDEQEGDKSA-N -1 0 388.428 0.812 20 0 GCADRM COC(=O)[C@@H]1CCN(c2cc(N3CC[C@H](C(=O)[O-])[C@H]3C)nc3ncnn32)[C@H]1C ZINC001598798610 996124632 /nfs/dbraw/zinc/12/46/32/996124632.db2.gz KDHJDSOTHMZGEQ-MROQNXINSA-N -1 0 388.428 0.812 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)[C@H](C(=O)[O-])C1 ZINC001598798982 996126252 /nfs/dbraw/zinc/12/62/52/996126252.db2.gz KKNARPMTVNVLRZ-AAEUAGOBSA-N -1 0 395.389 0.820 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)C1 ZINC001598799325 996128541 /nfs/dbraw/zinc/12/85/41/996128541.db2.gz MJQJCWFMCNIDPD-ZYOFXKKJSA-N -1 0 399.421 0.985 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)[C@@H](C(=O)[O-])C1 ZINC001598799921 996131357 /nfs/dbraw/zinc/13/13/57/996131357.db2.gz QFHDWFIAIJUWQB-GXFFZTMASA-N -1 0 397.405 0.679 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)[C@H](C(=O)[O-])C1 ZINC001598800342 996134041 /nfs/dbraw/zinc/13/40/41/996134041.db2.gz TZRWHSJJRVHCEJ-AGIUHOORSA-N -1 0 399.421 0.494 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(F)(F)F)C2)C[C@H]1C(=O)[O-] ZINC001598802002 996146022 /nfs/dbraw/zinc/14/60/22/996146022.db2.gz BBXPIMXDQDNGRX-RFXMVYNHSA-N -1 0 380.319 0.120 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Cc3cccs3)C2)C[C@H]1C(=O)[O-] ZINC001598802271 996149219 /nfs/dbraw/zinc/14/92/19/996149219.db2.gz CDUXXGQXMATETR-CHWSQXEVSA-N -1 0 380.422 0.081 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2Cc3cc(F)c(F)cc3C2)C[C@@H]1C(=O)[O-] ZINC001598802837 996155352 /nfs/dbraw/zinc/15/53/52/996155352.db2.gz GJAYDYNBZOSKNP-WDEREUQCSA-N -1 0 382.319 0.139 20 0 GCADRM COC(=O)[C@H]1CCc2sc(NC(=O)NCCC(=O)NCCC(=O)[O-])nc2C1 ZINC001598802814 996155397 /nfs/dbraw/zinc/15/53/97/996155397.db2.gz GFAYGPACZKGFEI-VIFPVBQESA-N -1 0 398.441 0.524 20 0 GCADRM COC(=O)[C@@H]1CCN(Cc2noc(CNC(=O)OC(C)(C)C)n2)[C@@H](C(=O)[O-])C1 ZINC001598803193 996158892 /nfs/dbraw/zinc/15/88/92/996158892.db2.gz KGUWMBBOXZNDAV-GHMZBOCLSA-N -1 0 398.416 0.933 20 0 GCADRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593699010 996168471 /nfs/dbraw/zinc/16/84/71/996168471.db2.gz KSWBQGICTULZJX-FZMZJTMJSA-N -1 0 397.453 0.177 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598804194 996168680 /nfs/dbraw/zinc/16/86/80/996168680.db2.gz SUJZMOKGGPBHHQ-QWRGUYRKSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598804543 996172243 /nfs/dbraw/zinc/17/22/43/996172243.db2.gz BBLFCAKYNJNRTB-UTUOFQBUSA-N -1 0 386.198 0.815 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2cccc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598804539 996172491 /nfs/dbraw/zinc/17/24/91/996172491.db2.gz BBLFCAKYNJNRTB-QJPTWQEYSA-N -1 0 386.198 0.815 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593703753 996181419 /nfs/dbraw/zinc/18/14/19/996181419.db2.gz UGYKUVOSNUCEHF-XHVZSJERSA-N -1 0 376.456 0.520 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598805679 996184074 /nfs/dbraw/zinc/18/40/74/996184074.db2.gz CXEKBGKCLMWIBD-RBSFLKMASA-N -1 0 391.424 0.721 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C(=O)[O-] ZINC001598805742 996184764 /nfs/dbraw/zinc/18/47/64/996184764.db2.gz DIQIYBHNTIUEMN-RFQIPJPRSA-N -1 0 385.461 0.389 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-] ZINC001598805740 996184768 /nfs/dbraw/zinc/18/47/68/996184768.db2.gz DIQIYBHNTIUEMN-IGQOVBAYSA-N -1 0 385.461 0.389 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C(=O)[O-] ZINC001598806242 996189537 /nfs/dbraw/zinc/18/95/37/996189537.db2.gz FYUMCZJEUOIPBF-ARFHVFGLSA-N -1 0 393.440 0.813 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)C[C@H]1C(=O)OC ZINC001598806602 996193062 /nfs/dbraw/zinc/19/30/62/996193062.db2.gz HJGSAFDSXBWCGY-XJQAZCJQSA-N -1 0 398.412 0.002 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)C[C@H]1C(=O)[O-] ZINC001598807178 996197807 /nfs/dbraw/zinc/19/78/07/996197807.db2.gz JKCQRYXHHSNXKB-LPWJVIDDSA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)C[C@@H]1C(=O)[O-] ZINC001598807180 996197877 /nfs/dbraw/zinc/19/78/77/996197877.db2.gz JKCQRYXHHSNXKB-YVECIDJPSA-N -1 0 380.401 0.155 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598807226 996198679 /nfs/dbraw/zinc/19/86/79/996198679.db2.gz HUBUHQMBSTZXPZ-IEVRTODYSA-N -1 0 385.417 0.583 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC001598807311 996199016 /nfs/dbraw/zinc/19/90/16/996199016.db2.gz LWNCFDXMZGLFJL-OASPWFOLSA-N -1 0 382.800 0.791 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC001598807330 996199585 /nfs/dbraw/zinc/19/95/85/996199585.db2.gz LXFORSBWMRPOIP-STQMWFEESA-N -1 0 381.406 0.325 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCn2cc(Br)cn2)C[C@@H]1C(=O)[O-] ZINC001598807447 996200286 /nfs/dbraw/zinc/20/02/86/996200286.db2.gz IZPBYCFQEMNFBZ-VHSXEESVSA-N -1 0 389.206 0.161 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807490 996200771 /nfs/dbraw/zinc/20/07/71/996200771.db2.gz KBOOGJNCJHQWGK-NWDGAFQWSA-N -1 0 385.417 0.465 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)C[C@@H]1C(=O)[O-] ZINC001598807601 996201535 /nfs/dbraw/zinc/20/15/35/996201535.db2.gz BNJRIPPJGLYMCD-ZNMIVQPWSA-N -1 0 389.408 0.475 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C[C@@H]1C(=O)[O-] ZINC001598807850 996203857 /nfs/dbraw/zinc/20/38/57/996203857.db2.gz NPAOXZFCSNLJIY-GVDBMIGSSA-N -1 0 389.452 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncnc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808166 996206746 /nfs/dbraw/zinc/20/67/46/996206746.db2.gz OIFYMFRCVQOSFA-SQWLQELKSA-N -1 0 398.419 0.931 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1C(=O)[O-] ZINC001598808223 996206766 /nfs/dbraw/zinc/20/67/66/996206766.db2.gz MIEZGWQZPPEFEJ-LSDHHAIUSA-N -1 0 375.356 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598808352 996207957 /nfs/dbraw/zinc/20/79/57/996207957.db2.gz NACJEYKHACPFDJ-STQMWFEESA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)C[C@H]1C(=O)[O-] ZINC001598808365 996208028 /nfs/dbraw/zinc/20/80/28/996208028.db2.gz OVYYQQZYNCWKOM-RBSFLKMASA-N -1 0 398.419 0.840 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598808378 996208632 /nfs/dbraw/zinc/20/86/32/996208632.db2.gz NIZJJAHBWLQNTR-YIZRAAEISA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2COC3(CCCCCC3)O2)C[C@@H]1C(=O)[O-] ZINC001598809007 996214429 /nfs/dbraw/zinc/21/44/29/996214429.db2.gz OZBJWXHTZPHLTJ-MELADBBJSA-N -1 0 384.429 0.968 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598809088 996214962 /nfs/dbraw/zinc/21/49/62/996214962.db2.gz PHOSKSNMHJSNID-MGPQQGTHSA-N -1 0 393.371 0.446 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)C[C@@H]1C(=O)[O-] ZINC001598809075 996215049 /nfs/dbraw/zinc/21/50/49/996215049.db2.gz QQRBDQAYAGZTOF-QLFBSQMISA-N -1 0 388.420 0.989 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C(=O)[O-] ZINC001598809345 996216726 /nfs/dbraw/zinc/21/67/26/996216726.db2.gz PVZXXCDCQJWGBS-OUAUKWLOSA-N -1 0 381.351 0.386 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598809595 996219135 /nfs/dbraw/zinc/21/91/35/996219135.db2.gz SPQQCBODPCBOHE-OLZOCXBDSA-N -1 0 382.413 0.886 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598809599 996219151 /nfs/dbraw/zinc/21/91/51/996219151.db2.gz SPQQCBODPCBOHE-STQMWFEESA-N -1 0 382.413 0.886 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598809593 996219290 /nfs/dbraw/zinc/21/92/90/996219290.db2.gz SPQQCBODPCBOHE-CHWSQXEVSA-N -1 0 382.413 0.886 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598809856 996221556 /nfs/dbraw/zinc/22/15/56/996221556.db2.gz UDLDNDIPJLUCAF-QWHCGFSZSA-N -1 0 383.445 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C[C@@H]1C(=O)[O-] ZINC001598810156 996224590 /nfs/dbraw/zinc/22/45/90/996224590.db2.gz VFLLDESPHIIYDI-BYCMXARLSA-N -1 0 392.383 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)C[C@@H]1C(=O)[O-] ZINC001598810743 996229315 /nfs/dbraw/zinc/22/93/15/996229315.db2.gz VFSRKRNMLSICKF-SDDRHHMPSA-N -1 0 384.335 0.784 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001598811038 996232112 /nfs/dbraw/zinc/23/21/12/996232112.db2.gz XTTKXUAPFNLNLD-IJLUTSLNSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2CN2CCNC2=O)C[C@H]1C(=O)[O-] ZINC001598811224 996233086 /nfs/dbraw/zinc/23/30/86/996233086.db2.gz ACHNRNPOEHEEJP-OLZOCXBDSA-N -1 0 390.396 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCN(Cc2ccccc2)C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598811272 996233606 /nfs/dbraw/zinc/23/36/06/996233606.db2.gz NHODQDMCWUDRFN-JKSUJKDBSA-N -1 0 376.409 0.757 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccnc2N2CCOCC2)C[C@H]1C(=O)[O-] ZINC001598811265 996233795 /nfs/dbraw/zinc/23/37/95/996233795.db2.gz APNUMVINPJOZPP-VXGBXAGGSA-N -1 0 378.385 0.256 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C[C@H]1C(=O)OC ZINC001598811586 996235917 /nfs/dbraw/zinc/23/59/17/996235917.db2.gz ATXZGFVZYZULKL-GHMZBOCLSA-N -1 0 390.352 0.687 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C[C@@H]1C(=O)[O-] ZINC001598811623 996236528 /nfs/dbraw/zinc/23/65/28/996236528.db2.gz YIKNSGSJDDWIEJ-GRYCIOLGSA-N -1 0 396.831 0.829 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C[C@H]1C(=O)[O-] ZINC001598811625 996236600 /nfs/dbraw/zinc/23/66/00/996236600.db2.gz YIKNSGSJDDWIEJ-IJLUTSLNSA-N -1 0 396.831 0.829 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598811830 996238106 /nfs/dbraw/zinc/23/81/06/996238106.db2.gz ZVFYGGQMYZHLCA-QWHCGFSZSA-N -1 0 384.429 0.966 20 0 GCADRM C[C@H](c1cccnc1)N1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001593718811 996240420 /nfs/dbraw/zinc/24/04/20/996240420.db2.gz CFBNZMRRQXKJDJ-CQSZACIVSA-N -1 0 377.445 0.451 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C(=O)[O-] ZINC001598812547 996244317 /nfs/dbraw/zinc/24/43/17/996244317.db2.gz QOCCVUDPVIPCQM-RYUDHWBXSA-N -1 0 380.363 0.983 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598812662 996244791 /nfs/dbraw/zinc/24/47/91/996244791.db2.gz DAJULTOWJCLMQN-JZRPKSSGSA-N -1 0 382.413 0.574 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)C[C@@H]1C(=O)[O-] ZINC001598812772 996245950 /nfs/dbraw/zinc/24/59/50/996245950.db2.gz DTOHZLLQQBXCPQ-RYUDHWBXSA-N -1 0 381.360 0.865 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598813068 996247643 /nfs/dbraw/zinc/24/76/43/996247643.db2.gz RZKDPPHPCAMOLU-NWDGAFQWSA-N -1 0 388.380 0.015 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(N3CCNC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598813207 996249078 /nfs/dbraw/zinc/24/90/78/996249078.db2.gz FPFCKMHXOVSPSU-STQMWFEESA-N -1 0 376.369 0.554 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2OC)C[C@H]1C(=O)[O-] ZINC001598813631 996251394 /nfs/dbraw/zinc/25/13/94/996251394.db2.gz VYCLKBQVKBCQQK-CHWSQXEVSA-N -1 0 395.408 0.977 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C[C@@H]1C(=O)OC ZINC001598814249 996256599 /nfs/dbraw/zinc/25/65/99/996256599.db2.gz JVZAEPCWIQPLLH-STQMWFEESA-N -1 0 388.376 0.829 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598814550 996258660 /nfs/dbraw/zinc/25/86/60/996258660.db2.gz ZGHVIEHBFLCBRR-QWRGUYRKSA-N -1 0 383.784 0.986 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001598815482 996266792 /nfs/dbraw/zinc/26/67/92/996266792.db2.gz MTGRIPBMVJUEBB-STQMWFEESA-N -1 0 380.353 0.576 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598815524 996267663 /nfs/dbraw/zinc/26/76/63/996267663.db2.gz NFWBNMTZCBERGR-STQMWFEESA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598815876 996269874 /nfs/dbraw/zinc/26/98/74/996269874.db2.gz PWOFBRSVRKLXSU-ZIAGYGMSSA-N -1 0 391.380 0.976 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001598816264 996273533 /nfs/dbraw/zinc/27/35/33/996273533.db2.gz QMBRYFJLJVLVDT-UONOGXRCSA-N -1 0 377.397 0.655 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)C[C@@H]1C(=O)[O-] ZINC001598816222 996273863 /nfs/dbraw/zinc/27/38/63/996273863.db2.gz QSMAABISFKWNHO-MJBXVCDLSA-N -1 0 375.381 0.975 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC001598816628 996277615 /nfs/dbraw/zinc/27/76/15/996277615.db2.gz SPPROFMPVWQLPS-ZIAGYGMSSA-N -1 0 387.396 0.858 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598816686 996277935 /nfs/dbraw/zinc/27/79/35/996277935.db2.gz SXHBLUWPGLKREM-KKOKHZNYSA-N -1 0 386.401 0.001 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2[nH]nc(C3CC3)c2Br)C[C@H]1C(=O)[O-] ZINC001598816712 996277973 /nfs/dbraw/zinc/27/79/73/996277973.db2.gz SZVUHCXKMCDEAP-SFYZADRCSA-N -1 0 386.202 0.995 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001598816690 996278085 /nfs/dbraw/zinc/27/80/85/996278085.db2.gz SXHBLUWPGLKREM-QCNOEVLYSA-N -1 0 386.401 0.001 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598816799 996278649 /nfs/dbraw/zinc/27/86/49/996278649.db2.gz RRWIADDYTPDPFK-UPJWGTAASA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C(=O)[O-] ZINC001598817192 996282978 /nfs/dbraw/zinc/28/29/78/996282978.db2.gz SXRNSFRKWQBIRM-CVEARBPZSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598817655 996287825 /nfs/dbraw/zinc/28/78/25/996287825.db2.gz WFFBWIRTNSWPOI-RYUDHWBXSA-N -1 0 393.396 0.735 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001598817676 996288799 /nfs/dbraw/zinc/28/87/99/996288799.db2.gz HNDSTSTVTSDBSK-MRVPVSSYSA-N -1 0 380.806 0.357 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cccnc2OCC(F)F)C[C@H]1C(=O)[O-] ZINC001598817938 996290633 /nfs/dbraw/zinc/29/06/33/996290633.db2.gz WXKXMIYKGAXXDE-MNOVXSKESA-N -1 0 387.339 0.741 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)C[C@@H]1C(=O)[O-] ZINC001598818263 996294669 /nfs/dbraw/zinc/29/46/69/996294669.db2.gz PYOQCMBLLLEHRF-NWDGAFQWSA-N -1 0 390.371 0.848 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598818498 996297561 /nfs/dbraw/zinc/29/75/61/996297561.db2.gz QVDMKVYCDLXKKG-UONOGXRCSA-N -1 0 396.421 0.172 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(Br)nn2C)C[C@@H]1C(=O)[O-] ZINC001598818557 996297988 /nfs/dbraw/zinc/29/79/88/996297988.db2.gz YJYYGXJKWZERGR-NKWVEPMBSA-N -1 0 375.179 0.520 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cc(Br)nn2C)C[C@H]1C(=O)[O-] ZINC001598818560 996298146 /nfs/dbraw/zinc/29/81/46/996298146.db2.gz YJYYGXJKWZERGR-RNFRBKRXSA-N -1 0 375.179 0.520 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598819094 996304121 /nfs/dbraw/zinc/30/41/21/996304121.db2.gz ZMIQICJPKYIXDQ-NWDGAFQWSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2sccc2S(=O)(=O)C(F)F)C[C@H]1C(=O)[O-] ZINC001598820085 996315386 /nfs/dbraw/zinc/31/53/86/996315386.db2.gz RKEBMPUXEXUVIN-RQJHMYQMSA-N -1 0 397.377 0.690 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnccc2NC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598820052 996315557 /nfs/dbraw/zinc/31/55/57/996315557.db2.gz FIBZGVIEZIENSB-VXGBXAGGSA-N -1 0 393.396 0.796 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598820595 996321179 /nfs/dbraw/zinc/32/11/79/996321179.db2.gz UTFOMBSANJAZIA-NSHDSACASA-N -1 0 399.197 0.603 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)[O-] ZINC001598820742 996324286 /nfs/dbraw/zinc/32/42/86/996324286.db2.gz HRCLACPERCDDIV-NWDGAFQWSA-N -1 0 378.772 0.867 20 0 GCADRM C[C@H](c1nnc(N2CCO[C@@H](CC(=O)[O-])C2)n1C[C@@H]1CCOC1)C(C)(C)O ZINC001593737400 996334737 /nfs/dbraw/zinc/33/47/37/996334737.db2.gz GRXSOLIONZGYLK-RDBSUJKOSA-N -1 0 382.461 0.869 20 0 GCADRM COC(=O)[C@@H]1CN(CN2C(=O)C(=O)c3c2c(F)ccc3Cl)C[C@H]1C(=O)[O-] ZINC001598821717 996335002 /nfs/dbraw/zinc/33/50/02/996335002.db2.gz LXAIYBALNFVAMC-HTQZYQBOSA-N -1 0 384.747 0.772 20 0 GCADRM COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H]1C(=O)[O-] ZINC001598821858 996336840 /nfs/dbraw/zinc/33/68/40/996336840.db2.gz MSNMXWPZOLOWIE-UONOGXRCSA-N -1 0 389.408 0.323 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001598822842 996349234 /nfs/dbraw/zinc/34/92/34/996349234.db2.gz SRJALQVUIUPSJI-ZIAGYGMSSA-N -1 0 398.437 0.319 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C(=O)[O-] ZINC001598823350 996354137 /nfs/dbraw/zinc/35/41/37/996354137.db2.gz CBJZOOOEZUIPAL-RKDXNWHRSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C(=O)[O-] ZINC001598823347 996354384 /nfs/dbraw/zinc/35/43/84/996354384.db2.gz CBJZOOOEZUIPAL-BDAKNGLRSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C[C@@H]1C(=O)[O-] ZINC001598823979 996361043 /nfs/dbraw/zinc/36/10/43/996361043.db2.gz FHRGXGDNQIZLOD-DTWKUNHWSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001598824725 996369648 /nfs/dbraw/zinc/36/96/48/996369648.db2.gz IUXDSOTUHRITTJ-CQSZACIVSA-N -1 0 378.406 0.705 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598824907 996371958 /nfs/dbraw/zinc/37/19/58/996371958.db2.gz IRTYHBGZUZPXLO-BETUJISGSA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)C[C@@H]1C(=O)[O-] ZINC001598825022 996372576 /nfs/dbraw/zinc/37/25/76/996372576.db2.gz JGPZLYJPNBDQBQ-IUCAKERBSA-N -1 0 391.373 0.337 20 0 GCADRM COC(=O)[C@H]1CSCCN1CCOCCN1CCSC[C@H]1C(=O)[O-] ZINC001598825094 996373352 /nfs/dbraw/zinc/37/33/52/996373352.db2.gz KXIOUQBJZCPDDY-QWHCGFSZSA-N -1 0 378.516 0.095 20 0 GCADRM C[C@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)Oc2ccccc2NC1=O ZINC001593748552 996381171 /nfs/dbraw/zinc/38/11/71/996381171.db2.gz XZVDJDJVOUMRQV-OALUTQOASA-N -1 0 389.408 0.164 20 0 GCADRM COC(=O)[C@@H]1CNCCCN1S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598825881 996381810 /nfs/dbraw/zinc/38/18/10/996381810.db2.gz FYUOMMXOEJXRSS-NSHDSACASA-N -1 0 376.818 0.564 20 0 GCADRM COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001598827160 996394890 /nfs/dbraw/zinc/39/48/90/996394890.db2.gz YPDBSVZSZNYXNR-JTQLQIEISA-N -1 0 375.424 0.673 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)C[C@@H]1C(=O)[O-] ZINC001598827724 996401758 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LEAMGSYNZFNRHS-CQSZACIVSA-N -1 0 393.396 0.817 20 0 GCADRM COC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC001598889496 996964925 /nfs/dbraw/zinc/96/49/25/996964925.db2.gz YUOPPIZQEPJOQA-JYESYGNLSA-N -1 0 387.410 0.984 20 0 GCADRM COC(=O)[C@@H](CC(=O)[O-])OC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC001598889670 996968102 /nfs/dbraw/zinc/96/81/02/996968102.db2.gz PRFFEGXWGIZFDK-CYBMUJFWSA-N -1 0 387.410 0.483 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)COCCNC(=O)c1ccccc1 ZINC001599182502 996968905 /nfs/dbraw/zinc/96/89/05/996968905.db2.gz HTEWHZKHKHHCOQ-LJQANCHMSA-N -1 0 378.425 0.915 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC001599182581 996969604 /nfs/dbraw/zinc/96/96/04/996969604.db2.gz JMMXFCSQOUWXLL-LJQANCHMSA-N -1 0 389.408 0.941 20 0 GCADRM COC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)[O-] ZINC001599183428 996984299 /nfs/dbraw/zinc/98/42/99/996984299.db2.gz KUTOVZVTXGJWOR-BXUZGUMPSA-N -1 0 377.349 0.718 20 0 GCADRM COC1(C(=O)OCCn2cc(C(=O)[O-])nn2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001599080437 996985361 /nfs/dbraw/zinc/98/53/61/996985361.db2.gz DBXVOPIBZFGTBO-UHFFFAOYSA-N -1 0 398.416 0.936 20 0 GCADRM COc1cc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)ccc1OCCO ZINC001599388823 996995227 /nfs/dbraw/zinc/99/52/27/996995227.db2.gz SMATZPFJXHWYEX-OCCSQVGLSA-N -1 0 394.424 0.567 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC001598891385 996998987 /nfs/dbraw/zinc/99/89/87/996998987.db2.gz JLSFKJVYMRHSFE-ZWNOBZJWSA-N -1 0 389.401 0.758 20 0 GCADRM CC1(C)CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)CCN1CCO ZINC001593947391 997002708 /nfs/dbraw/zinc/00/27/08/997002708.db2.gz TVSJDDWKOXEEPA-UHFFFAOYSA-N -1 0 382.482 0.880 20 0 GCADRM COC[C@]1(C(=O)[O-])CCCCN1C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC001599184610 997003936 /nfs/dbraw/zinc/00/39/36/997003936.db2.gz RQAJYCLRGWMOIA-INIZCTEOSA-N -1 0 388.442 0.934 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC001599184859 997007686 /nfs/dbraw/zinc/00/76/86/997007686.db2.gz UTJBEJJJNXVPGW-GOSISDBHSA-N -1 0 381.429 0.723 20 0 GCADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001599495157 997009036 /nfs/dbraw/zinc/00/90/36/997009036.db2.gz QRCPOXJTNQCPRJ-GFCCVEGCSA-N -1 0 391.467 0.981 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC001598892346 997015613 /nfs/dbraw/zinc/01/56/13/997015613.db2.gz GFMMLMYQYUZPDJ-CYBMUJFWSA-N -1 0 386.426 0.002 20 0 GCADRM COc1ccc(C(=O)[O-])c(S(=O)(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC001599495606 997016575 /nfs/dbraw/zinc/01/65/75/997016575.db2.gz WHXUXEGMWWVFHN-UHFFFAOYSA-N -1 0 384.454 0.879 20 0 GCADRM COc1cc([C@@H](C)NS(=O)(=O)CC2(C(=O)[O-])CC2)ccc1S(C)(=O)=O ZINC001599390090 997017660 /nfs/dbraw/zinc/01/76/60/997017660.db2.gz XLQDZDXXWLAOMS-SNVBAGLBSA-N -1 0 391.467 0.944 20 0 GCADRM CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC001593949485 997018092 /nfs/dbraw/zinc/01/80/92/997018092.db2.gz UDEILZQQHBGVCX-JTQLQIEISA-N -1 0 391.243 0.950 20 0 GCADRM CO[C@]1(C(=O)[O-])CCN(c2nnc(CN3CCCC3)n2C[C@H]2CCCO2)C1 ZINC001599081944 997018048 /nfs/dbraw/zinc/01/80/48/997018048.db2.gz VBZUUUMOYMVNPD-RDTXWAMCSA-N -1 0 379.461 0.733 20 0 GCADRM COc1cc(C(N)=O)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001599390136 997019170 /nfs/dbraw/zinc/01/91/70/997019170.db2.gz RUOIKXJWKSJCFY-MISXGVKJSA-N -1 0 375.381 0.444 20 0 GCADRM CC1(C)CN=C(N2CCN(C(=O)NCCn3cc(C(=O)[O-])nn3)CC2)S1 ZINC001593949776 997019540 /nfs/dbraw/zinc/01/95/40/997019540.db2.gz YEUKAAHEOOZDLY-UHFFFAOYSA-N -1 0 381.462 0.185 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001598892586 997020431 /nfs/dbraw/zinc/02/04/31/997020431.db2.gz BYRMKEGILZLFTK-AEJSXWLSSA-N -1 0 391.364 0.812 20 0 GCADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C(=O)N1CC[C@@H](C)[C@@H]1CO)CC2 ZINC001599496206 997024890 /nfs/dbraw/zinc/02/48/90/997024890.db2.gz DQJLCEQQTNYSDV-ABAIWWIYSA-N -1 0 376.409 0.507 20 0 GCADRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2Cc2c(F)cc(F)c(F)c2F)C1 ZINC001599082364 997026241 /nfs/dbraw/zinc/02/62/41/997026241.db2.gz XMXRTKWWARMPKE-CQSZACIVSA-N -1 0 375.282 0.958 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001598893028 997026816 /nfs/dbraw/zinc/02/68/16/997026816.db2.gz ZUNJIAMQQKOLFQ-LLVKDONJSA-N -1 0 393.364 0.960 20 0 GCADRM COc1cc(C)c(NC(=O)C(=O)NCCC(=O)NCCC(=O)[O-])c(C)c1C ZINC001599390908 997033589 /nfs/dbraw/zinc/03/35/89/997033589.db2.gz AFOGGTWRIMVJBO-UHFFFAOYSA-N -1 0 379.413 0.656 20 0 GCADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C1=C(C)OCCS1(=O)=O)CC2 ZINC001599496853 997034560 /nfs/dbraw/zinc/03/45/60/997034560.db2.gz IOKVINSIHPGNRU-UHFFFAOYSA-N -1 0 381.406 0.955 20 0 GCADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C(=O)N(C)CCCCCO)CC2 ZINC001599497153 997039164 /nfs/dbraw/zinc/03/91/64/997039164.db2.gz VWEVVDFINMUUJT-UHFFFAOYSA-N -1 0 378.425 0.899 20 0 GCADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1)CC2 ZINC001599497177 997039477 /nfs/dbraw/zinc/03/94/77/997039477.db2.gz WSIQDKBUGVADFQ-TXEJJXNPSA-N -1 0 376.409 0.507 20 0 GCADRM COC(=O)[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC001598894115 997046855 /nfs/dbraw/zinc/04/68/55/997046855.db2.gz XPUASAHRPKICBG-LLVKDONJSA-N -1 0 383.382 0.785 20 0 GCADRM COC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001598894277 997050725 /nfs/dbraw/zinc/05/07/25/997050725.db2.gz HQAKAPTWVPECES-CYBMUJFWSA-N -1 0 385.373 0.169 20 0 GCADRM COC(=O)[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)Oc1ccccc1 ZINC001598894336 997052460 /nfs/dbraw/zinc/05/24/60/997052460.db2.gz IRHBDGQSFDQHRJ-ZIAGYGMSSA-N -1 0 378.381 0.046 20 0 GCADRM COC(=O)[C@@H]1CC(F)(F)CN1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001598894472 997054814 /nfs/dbraw/zinc/05/48/14/997054814.db2.gz URNKIMUIYKROGK-KBPBESRZSA-N -1 0 382.363 0.907 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001599290717 997059986 /nfs/dbraw/zinc/05/99/86/997059986.db2.gz CMJILZAYMVXTAE-IAQYHMDHSA-N -1 0 382.438 0.820 20 0 GCADRM COC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001598894964 997064902 /nfs/dbraw/zinc/06/49/02/997064902.db2.gz ZWAGURQKJZHZET-CYBMUJFWSA-N -1 0 384.385 0.925 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001599291219 997067659 /nfs/dbraw/zinc/06/76/59/997067659.db2.gz IXDHWXMGPHEYIQ-SWLSCSKDSA-N -1 0 385.486 0.444 20 0 GCADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C[C@H]2C1 ZINC001598895437 997072020 /nfs/dbraw/zinc/07/20/20/997072020.db2.gz BSYLHZLYPRSFQO-BYGOPZEFSA-N -1 0 378.425 0.213 20 0 GCADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C[C@H]2C1 ZINC001598895439 997072135 /nfs/dbraw/zinc/07/21/35/997072135.db2.gz BSYLHZLYPRSFQO-RODWMJHOSA-N -1 0 378.425 0.213 20 0 GCADRM COC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])C[C@@H]2C1 ZINC001598895438 997072154 /nfs/dbraw/zinc/07/21/54/997072154.db2.gz BSYLHZLYPRSFQO-PMXAPFLYSA-N -1 0 378.425 0.213 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)Nc1cccnc1 ZINC001599291788 997077390 /nfs/dbraw/zinc/07/73/90/997077390.db2.gz QLOKOUZKYCZWDF-UHFFFAOYSA-N -1 0 379.394 0.843 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC001599291781 997077703 /nfs/dbraw/zinc/07/77/03/997077703.db2.gz QJWWAGYLMGTZRL-JTQLQIEISA-N -1 0 377.440 0.339 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)NCC(F)(F)F ZINC001599291902 997079355 /nfs/dbraw/zinc/07/93/55/997079355.db2.gz SRHJAXJMBDHMNI-QMMMGPOBSA-N -1 0 398.359 0.877 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)NCC(F)(F)F ZINC001599291900 997079627 /nfs/dbraw/zinc/07/96/27/997079627.db2.gz SRHJAXJMBDHMNI-MRVPVSSYSA-N -1 0 398.359 0.877 20 0 GCADRM CC1(C)COc2c(S(=O)(=O)N3CCSC[C@H]3CC(=O)[O-])cnn2C1 ZINC001593960723 997080113 /nfs/dbraw/zinc/08/01/13/997080113.db2.gz BDLLQYPVOUYXQY-SNVBAGLBSA-N -1 0 375.472 0.883 20 0 GCADRM COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C[C@@H]1C ZINC001598895941 997083836 /nfs/dbraw/zinc/08/38/36/997083836.db2.gz MQXHNJJFFNUWMB-MELADBBJSA-N -1 0 382.457 0.993 20 0 GCADRM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001599292373 997085155 /nfs/dbraw/zinc/08/51/55/997085155.db2.gz ZNEZCMNBUAFRMI-LBPRGKRZSA-N -1 0 377.440 0.387 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C[C@@H](C)O1 ZINC001598896583 997096160 /nfs/dbraw/zinc/09/61/60/997096160.db2.gz NILMBNJPCYBJHN-PELKAZGASA-N -1 0 384.772 0.766 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC001599189729 997100488 /nfs/dbraw/zinc/10/04/88/997100488.db2.gz BNTYBDDXONDNGG-FZKQIMNGSA-N -1 0 385.461 0.630 20 0 GCADRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC001599189691 997100751 /nfs/dbraw/zinc/10/07/51/997100751.db2.gz AZVJIZBKBWFFFV-SJKOYZFVSA-N -1 0 383.422 0.704 20 0 GCADRM 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0.970 20 0 GCADRM CC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000817694951 597297378 /nfs/dbraw/zinc/29/73/78/597297378.db2.gz NKADGMYVURNTKT-UHFFFAOYSA-N -1 0 382.438 0.427 20 0 GCADRM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)[O-])o1 ZINC000592366586 597310322 /nfs/dbraw/zinc/31/03/22/597310322.db2.gz DEVOGOATTSSVKN-UWVGGRQHSA-N -1 0 388.398 0.199 20 0 GCADRM CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)c1 ZINC000738602363 597311061 /nfs/dbraw/zinc/31/10/61/597311061.db2.gz QLUGUPSXSOPHIQ-NSHDSACASA-N -1 0 382.438 0.879 20 0 GCADRM CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000817909746 597321397 /nfs/dbraw/zinc/32/13/97/597321397.db2.gz IMRGJHNSFPIODY-UHFFFAOYSA-N -1 0 376.413 0.514 20 0 GCADRM C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000737680371 597330031 /nfs/dbraw/zinc/33/00/31/597330031.db2.gz JCBSKTIHKCDDEC-JOYOIKCWSA-N -1 0 390.845 0.462 20 0 GCADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940154 597353403 /nfs/dbraw/zinc/35/34/03/597353403.db2.gz DPPBIAZABKSNSX-UHFFFAOYSA-N -1 0 382.376 0.569 20 0 GCADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940490 597354156 /nfs/dbraw/zinc/35/41/56/597354156.db2.gz MYECRQDLPVLQNI-UHFFFAOYSA-N -1 0 382.376 0.820 20 0 GCADRM Cc1c(C(=O)OCc2ccc(C(=O)[O-])cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000820940798 597354865 /nfs/dbraw/zinc/35/48/65/597354865.db2.gz XSRHKYLKSGOZJP-UHFFFAOYSA-N -1 0 383.360 0.996 20 0 GCADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000821539309 597355344 /nfs/dbraw/zinc/35/53/44/597355344.db2.gz GDAMSEPBWLTIIN-UHFFFAOYSA-N -1 0 388.424 0.659 20 0 GCADRM CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1)C(=O)[O-] ZINC000518754874 597388695 /nfs/dbraw/zinc/38/86/95/597388695.db2.gz NCGQQPOQRFCDFR-GFCCVEGCSA-N -1 0 388.380 0.885 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O)C(=O)[O-] ZINC000422667271 597409567 /nfs/dbraw/zinc/40/95/67/597409567.db2.gz SSLLKIUTPVQQHR-GWCFXTLKSA-N -1 0 385.442 0.636 20 0 GCADRM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)OCc1cn(CC(=O)[O-])nn1)C2=O ZINC000820221359 597414382 /nfs/dbraw/zinc/41/43/82/597414382.db2.gz NGBCCUNIWRCZFM-GHMZBOCLSA-N -1 0 393.400 0.153 20 0 GCADRM Cn1ccnc1[C@@](O)(CCNC(=O)N1CCO[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000738412416 597415174 /nfs/dbraw/zinc/41/51/74/597415174.db2.gz YRIZTSWKAGWHQY-ZANVPECISA-N -1 0 380.323 0.055 20 0 GCADRM COc1cc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1S(=O)(=O)N(C)C ZINC000820770846 597415795 /nfs/dbraw/zinc/41/57/95/597415795.db2.gz NTXSSLGKZFWLOK-LBPRGKRZSA-N -1 0 387.414 0.263 20 0 GCADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000013263194 597418559 /nfs/dbraw/zinc/41/85/59/597418559.db2.gz NFGFOQDMKURFAX-ZDUSSCGKSA-N -1 0 385.394 0.888 20 0 GCADRM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000262290015 597431587 /nfs/dbraw/zinc/43/15/87/597431587.db2.gz NHNQCMOUOOLNBF-ABAIWWIYSA-N -1 0 381.454 0.551 20 0 GCADRM CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCNC2=O)c(C(=O)[O-])c1C ZINC000820374760 597438143 /nfs/dbraw/zinc/43/81/43/597438143.db2.gz XLIBVVVURRSEFZ-SECBINFHSA-N -1 0 383.426 0.690 20 0 GCADRM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)C1=O ZINC000818080604 597444300 /nfs/dbraw/zinc/44/43/00/597444300.db2.gz UJTJPXTUXHLBHZ-SFHVURJKSA-N -1 0 389.364 0.553 20 0 GCADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000262389520 597446198 /nfs/dbraw/zinc/44/61/98/597446198.db2.gz XUGRFZAYURVKIE-HNNXBMFYSA-N -1 0 382.438 0.787 20 0 GCADRM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(C(=O)CSCC(=O)[O-])C1 ZINC000819732232 597451098 /nfs/dbraw/zinc/45/10/98/597451098.db2.gz WHOHJWGAGQQGFF-GFCCVEGCSA-N -1 0 384.458 0.960 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000821509626 597456673 /nfs/dbraw/zinc/45/66/73/597456673.db2.gz RWPOHJUTTGRLCG-NSHDSACASA-N -1 0 381.435 0.987 20 0 GCADRM C[C@@H](C(=O)[O-])N(C)C(=O)CNC(=O)c1ccccc1I ZINC000817753376 597469401 /nfs/dbraw/zinc/46/94/01/597469401.db2.gz VMDBJLPURBBMRZ-QMMMGPOBSA-N -1 0 390.177 0.953 20 0 GCADRM C[C@@H](C(=O)[O-])N(C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000817771995 597474499 /nfs/dbraw/zinc/47/44/99/597474499.db2.gz BIANGKMPJWKLCB-LBPRGKRZSA-N -1 0 383.470 0.621 20 0 GCADRM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000737702465 597493286 /nfs/dbraw/zinc/49/32/86/597493286.db2.gz IFXHXVAUYPMKTO-ZETOZRRWSA-N -1 0 381.406 0.884 20 0 GCADRM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000737702460 597493358 /nfs/dbraw/zinc/49/33/58/597493358.db2.gz IFXHXVAUYPMKTO-JRPNMDOOSA-N -1 0 381.406 0.884 20 0 GCADRM Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)cn1C ZINC000262193418 597494206 /nfs/dbraw/zinc/49/42/06/597494206.db2.gz ZBTZROAOZBQXSK-CYBMUJFWSA-N -1 0 384.458 0.205 20 0 GCADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 ZINC000261692501 597499448 /nfs/dbraw/zinc/49/94/48/597499448.db2.gz CCAULLABCBKSCA-KBPBESRZSA-N -1 0 382.438 0.691 20 0 GCADRM COc1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1OCC(=O)N(C)C ZINC000818560113 597508640 /nfs/dbraw/zinc/50/86/40/597508640.db2.gz QVDHGGOTXMHXGW-CYBMUJFWSA-N -1 0 379.413 0.778 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-] ZINC000659062398 597516615 /nfs/dbraw/zinc/51/66/15/597516615.db2.gz GWEUDGOGNQNVEC-GRYCIOLGSA-N -1 0 377.397 0.464 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C(=O)[O-] ZINC000659063358 597517165 /nfs/dbraw/zinc/51/71/65/597517165.db2.gz XOVABBKGKSTZLG-SSDOTTSWSA-N -1 0 378.776 0.721 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1)C(=O)[O-] ZINC000659063119 597517206 /nfs/dbraw/zinc/51/72/06/597517206.db2.gz RHLJNZADQDIKSW-SNVBAGLBSA-N -1 0 389.364 0.433 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000818018016 597517219 /nfs/dbraw/zinc/51/72/19/597517219.db2.gz JBOHOMQTCOKSCX-GWCFXTLKSA-N -1 0 378.385 0.515 20 0 GCADRM C[C@@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)C(=O)[O-] ZINC000818022046 597517716 /nfs/dbraw/zinc/51/77/16/597517716.db2.gz CKEULESXRJRCTL-LLVKDONJSA-N -1 0 383.364 0.072 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)C(=O)[O-] ZINC000818018352 597518144 /nfs/dbraw/zinc/51/81/44/597518144.db2.gz OKQYTLOLOLOCOR-NSHDSACASA-N -1 0 379.438 0.332 20 0 GCADRM CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])c2)c1C ZINC000422654026 597519003 /nfs/dbraw/zinc/51/90/03/597519003.db2.gz VWBUHMNNAFSNGF-JTQLQIEISA-N -1 0 388.380 0.885 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1NC(=O)CN1CCCCC1 ZINC000818898676 597520286 /nfs/dbraw/zinc/52/02/86/597520286.db2.gz DJBYMOHKWHFFBY-ZDUSSCGKSA-N -1 0 390.440 0.947 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000819214573 597521119 /nfs/dbraw/zinc/52/11/19/597521119.db2.gz GEYZHLJZZRTBOM-CYBMUJFWSA-N -1 0 391.449 0.747 20 0 GCADRM COCCCCN(Cc1ccccc1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000821687050 607305721 /nfs/dbraw/zinc/30/57/21/607305721.db2.gz LRILNQPBRDOPIU-UHFFFAOYSA-N -1 0 399.455 0.697 20 0 GCADRM CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000422654892 597521858 /nfs/dbraw/zinc/52/18/58/597521858.db2.gz PHEYWBOVNKOCEN-CYBMUJFWSA-N -1 0 391.424 0.805 20 0 GCADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC000422656516 597523451 /nfs/dbraw/zinc/52/34/51/597523451.db2.gz XWSKUGGWQVSUIB-DOMZBBRYSA-N -1 0 389.408 0.240 20 0 GCADRM NC(=O)CCc1nn(CN2CC[C@H](C(=O)[O-])C2)c(=S)n1C[C@H]1CCCO1 ZINC000819117117 597538164 /nfs/dbraw/zinc/53/81/64/597538164.db2.gz ZEFYBQNYWGNBCU-NWDGAFQWSA-N -1 0 383.474 0.375 20 0 GCADRM Cc1cc(N2C[C@H](C(=O)OCc3cn(CC(=O)[O-])nn3)CC2=O)ccc1F ZINC000820980528 597640224 /nfs/dbraw/zinc/64/02/24/597640224.db2.gz QTPQKIHKQGCTNR-LLVKDONJSA-N -1 0 376.344 0.907 20 0 GCADRM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCCCC(=O)[O-])no2)cn1 ZINC000821277706 597666501 /nfs/dbraw/zinc/66/65/01/597666501.db2.gz PILNZXICDBOOES-LBPRGKRZSA-N -1 0 378.389 0.808 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CCO1 ZINC000666541155 597667186 /nfs/dbraw/zinc/66/71/86/597667186.db2.gz YBCGOIRMMONIFB-UONOGXRCSA-N -1 0 389.387 0.894 20 0 GCADRM CC(=O)NCCN(C(=O)C1CCN(C(=O)c2ccccc2)CC1)[C@H](C)C(=O)[O-] ZINC000262243854 597682668 /nfs/dbraw/zinc/68/26/68/597682668.db2.gz PHWAZGVZSFTKPL-CQSZACIVSA-N -1 0 389.452 0.977 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H](C)C(=O)[O-] ZINC000263398474 597683524 /nfs/dbraw/zinc/68/35/24/597683524.db2.gz FZXSJTMLYFTYIR-MJBXVCDLSA-N -1 0 392.456 0.747 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)[C@@H](C)C(=O)[O-] ZINC000262178572 597684138 /nfs/dbraw/zinc/68/41/38/597684138.db2.gz FDEZTQSUAFPGFC-NSHDSACASA-N -1 0 376.413 0.516 20 0 GCADRM CC(=O)NCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000819762695 597684882 /nfs/dbraw/zinc/68/48/82/597684882.db2.gz ZWKNPVRPEOSMRN-JTQLQIEISA-N -1 0 379.804 0.972 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](C)C(=O)[O-] ZINC000262256561 597686621 /nfs/dbraw/zinc/68/66/21/597686621.db2.gz RIIFCPGJRCMFGV-GOPBEWJXSA-N -1 0 381.473 0.851 20 0 GCADRM CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1)[C@@H](C)C(=O)[O-] ZINC000262256559 597686837 /nfs/dbraw/zinc/68/68/37/597686837.db2.gz RIIFCPGJRCMFGV-AYDDYBHNSA-N -1 0 381.473 0.851 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(N2CCNC2=O)ccc1F)[C@@H](C)C(=O)[O-] ZINC000262230617 597691291 /nfs/dbraw/zinc/69/12/91/597691291.db2.gz MZNXKEACLLGFRS-JTQLQIEISA-N -1 0 380.376 0.407 20 0 GCADRM CC(=O)NCCN(C(=O)CCc1nc2ccccc2oc1=O)[C@H](C)C(=O)[O-] ZINC000819746129 597692503 /nfs/dbraw/zinc/69/25/03/597692503.db2.gz ZJCYFRAMSSCUCH-LLVKDONJSA-N -1 0 375.381 0.558 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H](C)C(=O)[O-] ZINC000781134704 597692919 /nfs/dbraw/zinc/69/29/19/597692919.db2.gz FHRILCRSVYMNIE-WCQYABFASA-N -1 0 379.388 0.616 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)[C@@H](C)C(=O)[O-] ZINC000510325714 597694351 /nfs/dbraw/zinc/69/43/51/597694351.db2.gz UFPWOPDQCVVAGM-JTQLQIEISA-N -1 0 392.412 0.655 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)[C@H](C)C(=O)[O-] ZINC000510325716 597694358 /nfs/dbraw/zinc/69/43/58/597694358.db2.gz UFPWOPDQCVVAGM-SNVBAGLBSA-N -1 0 392.412 0.655 20 0 GCADRM CC(=O)NCCN(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)[C@H](C)C(=O)[O-] ZINC000262222676 597694393 /nfs/dbraw/zinc/69/43/93/597694393.db2.gz LQWMOVYNTKNQRF-GFCCVEGCSA-N -1 0 389.408 0.387 20 0 GCADRM CC(=O)NCCN(C(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C)[C@@H](C)C(=O)[O-] ZINC000516289916 597695046 /nfs/dbraw/zinc/69/50/46/597695046.db2.gz HTXLXGNXYSHGEG-NSHDSACASA-N -1 0 377.401 0.032 20 0 GCADRM CC(=O)NCCN(C(=O)c1sc2nc(C)nc(N)c2c1C)[C@H](C)C(=O)[O-] ZINC000819762544 597695051 /nfs/dbraw/zinc/69/50/51/597695051.db2.gz NTUKWMMEFGRCIA-MRVPVSSYSA-N -1 0 379.442 0.942 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H](C)C(=O)[O-] 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ZINC000547891149 1184735798 /nfs/dbraw/zinc/73/57/98/1184735798.db2.gz QGJAEMDNXVKHGR-GFCCVEGCSA-N -1 0 383.426 0.659 20 0 GCADRM O=C([O-])c1cccc(CNC(=O)NCCNS(=O)(=O)N2CCCCC2)c1 ZINC000547897740 1184736811 /nfs/dbraw/zinc/73/68/11/1184736811.db2.gz AVUYTVIHJGQNNQ-UHFFFAOYSA-N -1 0 384.458 0.504 20 0 GCADRM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000547895710 1184737038 /nfs/dbraw/zinc/73/70/38/1184737038.db2.gz XTMSBGGFMVKWLP-LBPRGKRZSA-N -1 0 383.426 0.165 20 0 GCADRM C[C@H]1CCN(S(=O)(=O)NCCNC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000547895292 1184737077 /nfs/dbraw/zinc/73/70/77/1184737077.db2.gz RSNLXMWSHQIXEO-LBPRGKRZSA-N -1 0 384.458 0.360 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)N[C@H](Cn2cc(C)cn2)C(=O)[O-])c1C ZINC000547897217 1184737592 /nfs/dbraw/zinc/73/75/92/1184737592.db2.gz VNMHLVGFKCHRTK-CYBMUJFWSA-N -1 0 381.410 0.718 20 0 GCADRM Cc1n[nH]c(C)c1S(=O)(=O)NCCNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000547897992 1184737877 /nfs/dbraw/zinc/73/78/77/1184737877.db2.gz GYBIIJLXSCWWPV-UHFFFAOYSA-N -1 0 395.441 0.502 20 0 GCADRM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C(=O)[O-])c(C)n2)C1 ZINC000547892367 1184738454 /nfs/dbraw/zinc/73/84/54/1184738454.db2.gz VJTOUGIGYPOUEE-GFCCVEGCSA-N -1 0 385.442 0.698 20 0 GCADRM COC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)[O-])c1C ZINC000547893544 1184739538 /nfs/dbraw/zinc/73/95/38/1184739538.db2.gz NDSNLPUJCKAAGE-ZDUSSCGKSA-N -1 0 395.437 0.737 20 0 GCADRM CCc1nc(CNS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1C(=O)[O-] ZINC000547893821 1184739559 /nfs/dbraw/zinc/73/95/59/1184739559.db2.gz XJQUMWPWAZIRBY-LBPRGKRZSA-N -1 0 380.426 0.979 20 0 GCADRM CC(=O)NCCN(C(=O)CNC(=O)NCc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000510278296 1184744883 /nfs/dbraw/zinc/74/48/83/1184744883.db2.gz FDJTVOGCXVVWRD-NSHDSACASA-N -1 0 382.392 0.063 20 0 GCADRM C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000547908819 1184747620 /nfs/dbraw/zinc/74/76/20/1184747620.db2.gz HIEKDMLFKWMYED-GFCCVEGCSA-N -1 0 398.441 0.240 20 0 GCADRM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000547914843 1184756578 /nfs/dbraw/zinc/75/65/78/1184756578.db2.gz OBJPPZOLAATIML-ZBEGNZNMSA-N -1 0 399.425 0.234 20 0 GCADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000547916671 1184760975 /nfs/dbraw/zinc/76/09/75/1184760975.db2.gz ZSAHBWGWCXPPDY-NSHDSACASA-N -1 0 382.438 0.632 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c[nH]1 ZINC000547916337 1184761298 /nfs/dbraw/zinc/76/12/98/1184761298.db2.gz UGJDYNBRKWZTDQ-UHFFFAOYSA-N -1 0 382.394 0.786 20 0 GCADRM COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000547925570 1184774006 /nfs/dbraw/zinc/77/40/06/1184774006.db2.gz WQGYAHUGPLPZIY-LBPRGKRZSA-N -1 0 398.441 0.504 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)N3CC[C@@H]4CCCC[C@@H]4C3)C2)C1 ZINC000547930508 1184776775 /nfs/dbraw/zinc/77/67/75/1184776775.db2.gz YGPDOXUXJSWNJJ-ZJIFWQFVSA-N -1 0 399.513 0.751 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)N3CC[C@H]4CCCC[C@@H]4C3)C2)C1 ZINC000547930506 1184777163 /nfs/dbraw/zinc/77/71/63/1184777163.db2.gz YGPDOXUXJSWNJJ-KLHDSHLOSA-N -1 0 399.513 0.751 20 0 GCADRM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(S(=O)(=O)N3CC[C@H]4CCCC[C@H]4C3)C2)C1 ZINC000547930507 1184777449 /nfs/dbraw/zinc/77/74/49/1184777449.db2.gz YGPDOXUXJSWNJJ-QKPAOTATSA-N -1 0 399.513 0.751 20 0 GCADRM CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H](c4nc(=O)[n-][nH]4)C3)ccc21 ZINC000288846042 1184790794 /nfs/dbraw/zinc/79/07/94/1184790794.db2.gz DSCJLFIHYGSPHO-ZDUSSCGKSA-N -1 0 391.453 0.575 20 0 GCADRM COCCOc1ccc(S([O-])=CC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000471453231 1184857534 /nfs/dbraw/zinc/85/75/34/1184857534.db2.gz RQAHXKZOIFTREF-WZQKQDCOSA-N -1 0 382.482 0.947 20 0 GCADRM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](N3CCCC3=O)C2)C[C@H]1C(=O)[O-] ZINC000579979977 1184877212 /nfs/dbraw/zinc/87/72/12/1184877212.db2.gz FHWNSEKTCDFUPP-APIJFGDWSA-N -1 0 379.457 0.605 20 0 GCADRM CCCCn1c(N)c(N(CC)C(=O)CN(CC(=O)[O-])C2CCC2)c(=O)[nH]c1=O ZINC000655933399 1184879420 /nfs/dbraw/zinc/87/94/20/1184879420.db2.gz JVGQDGLFCOZNTQ-UHFFFAOYSA-N -1 0 395.460 0.623 20 0 GCADRM C[C@@](O)(CNC(=O)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2)C(=O)[O-] ZINC000655939673 1184882293 /nfs/dbraw/zinc/88/22/93/1184882293.db2.gz TXASPSQJGJYFJV-GOSISDBHSA-N -1 0 390.371 0.390 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)[O-] ZINC000655943478 1184883342 /nfs/dbraw/zinc/88/33/42/1184883342.db2.gz FYEVMUOAPGARDI-CYBMUJFWSA-N -1 0 386.408 0.754 20 0 GCADRM CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655941453 1184883442 /nfs/dbraw/zinc/88/34/42/1184883442.db2.gz UVQLZHGFDZYWRF-LBPRGKRZSA-N -1 0 399.469 0.849 20 0 GCADRM CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655943737 1184884016 /nfs/dbraw/zinc/88/40/16/1184884016.db2.gz LQYYTHFWNWIEJG-AWEZNQCLSA-N -1 0 399.469 0.785 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C(=O)[O-] ZINC000655944596 1184884939 /nfs/dbraw/zinc/88/49/39/1184884939.db2.gz JBEXPKWRWCFWEG-CQSZACIVSA-N -1 0 379.413 0.565 20 0 GCADRM CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000655943987 1184884991 /nfs/dbraw/zinc/88/49/91/1184884991.db2.gz RCNWIJWMSCGNAM-CQSZACIVSA-N -1 0 379.413 0.613 20 0 GCADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655944989 1184887027 /nfs/dbraw/zinc/88/70/27/1184887027.db2.gz BVPNIGKQNDWIET-CYBMUJFWSA-N -1 0 385.442 0.860 20 0 GCADRM CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655945050 1184887402 /nfs/dbraw/zinc/88/74/02/1184887402.db2.gz DYOAMZKFIOGCPB-CQSZACIVSA-N -1 0 399.469 0.786 20 0 GCADRM COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655945588 1184888370 /nfs/dbraw/zinc/88/83/70/1184888370.db2.gz UOFRSVXNBWLLFQ-GFCCVEGCSA-N -1 0 379.413 0.809 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1F ZINC000655946450 1184889327 /nfs/dbraw/zinc/88/93/27/1184889327.db2.gz IWXNOMPZQUGVIB-SNVBAGLBSA-N -1 0 389.405 0.145 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1)C(=O)[O-] ZINC000655946156 1184889613 /nfs/dbraw/zinc/88/96/13/1184889613.db2.gz CIFHRWSWCMKWAP-LBPRGKRZSA-N -1 0 386.412 0.951 20 0 GCADRM CC(C)Oc1cc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1C(N)=O ZINC000655947020 1184890925 /nfs/dbraw/zinc/89/09/25/1184890925.db2.gz JQXLRLJIVUINMR-ZDUSSCGKSA-N -1 0 379.413 0.984 20 0 GCADRM COc1cc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc(OC)c1OC ZINC000655977004 1184913489 /nfs/dbraw/zinc/91/34/89/1184913489.db2.gz DNSKRMAGGZMFTF-LBPRGKRZSA-N -1 0 382.413 0.802 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)[O-] ZINC000655978234 1184915174 /nfs/dbraw/zinc/91/51/74/1184915174.db2.gz PITLDIZTDOFZIO-IRXDYDNUSA-N -1 0 391.468 0.649 20 0 GCADRM COc1ccc(-n2ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000655980769 1184916907 /nfs/dbraw/zinc/91/69/07/1184916907.db2.gz IQYDPIGDYDRUMK-INIZCTEOSA-N -1 0 388.424 0.970 20 0 GCADRM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655983214 1184919447 /nfs/dbraw/zinc/91/94/47/1184919447.db2.gz IFFRJIYLOQTQLX-SMDDNHRTSA-N -1 0 399.469 0.245 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC000655983032 1184919525 /nfs/dbraw/zinc/91/95/25/1184919525.db2.gz DLNHGBMLZBPZHE-GJZGRUSLSA-N -1 0 375.425 0.377 20 0 GCADRM Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])CC2)cc1 ZINC000655983962 1184920047 /nfs/dbraw/zinc/92/00/47/1184920047.db2.gz JIYJUHRRALCGDU-ZDUSSCGKSA-N -1 0 375.425 0.553 20 0 GCADRM Cc1ccc(C(=O)N2CCC(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000655983961 1184920220 /nfs/dbraw/zinc/92/02/20/1184920220.db2.gz JIYJUHRRALCGDU-CYBMUJFWSA-N -1 0 375.425 0.553 20 0 GCADRM COc1ccc(-c2nnc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)[nH]2)cc1 ZINC000655984497 1184921286 /nfs/dbraw/zinc/92/12/86/1184921286.db2.gz OXMQYYCQBGPCHH-CYBMUJFWSA-N -1 0 389.412 0.570 20 0 GCADRM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655987748 1184921342 /nfs/dbraw/zinc/92/13/42/1184921342.db2.gz NZDZMSWFMMJZHM-LSDHHAIUSA-N -1 0 376.457 0.150 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1)C(=O)[O-] ZINC000655985664 1184921739 /nfs/dbraw/zinc/92/17/39/1184921739.db2.gz AWLBLJQBCDJSBE-AWEZNQCLSA-N -1 0 378.429 0.007 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)[O-] ZINC000655991691 1184922497 /nfs/dbraw/zinc/92/24/97/1184922497.db2.gz OSOIMACUHYSOEL-UFBFGSQYSA-N -1 0 385.779 0.538 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1)C(=O)[O-] ZINC000655991472 1184922638 /nfs/dbraw/zinc/92/26/38/1184922638.db2.gz VZKHKJCJRMOBRT-HNNXBMFYSA-N -1 0 377.441 0.520 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)C(=O)[O-] ZINC000655990979 1184922646 /nfs/dbraw/zinc/92/26/46/1184922646.db2.gz IGIQUKIJRFGMSW-ZFWWWQNUSA-N -1 0 375.425 0.173 20 0 GCADRM 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BGXJOPGVKUXJLK-GFCCVEGCSA-N -1 0 397.453 0.697 20 0 GCADRM C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000422649634 1194681626 /nfs/dbraw/zinc/68/16/26/1194681626.db2.gz IUTHDEYUWQZXGC-LBPRGKRZSA-N -1 0 397.453 0.779 20 0 GCADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)CC(=O)[O-])c2ccccc2O1 ZINC000422651071 1194681633 /nfs/dbraw/zinc/68/16/33/1194681633.db2.gz NUTPFQARQUJRFE-RISCZKNCSA-N -1 0 377.397 0.286 20 0 GCADRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000422646275 1194681651 /nfs/dbraw/zinc/68/16/51/1194681651.db2.gz YRCROSHLFJQPOY-LBPRGKRZSA-N -1 0 399.407 0.430 20 0 GCADRM COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCCCC(=O)[O-])c1 ZINC000422654074 1194682051 /nfs/dbraw/zinc/68/20/51/1194682051.db2.gz LPHOJSMSTCBFOW-UHFFFAOYSA-N -1 0 388.380 0.887 20 0 GCADRM CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C(=O)NCC(=O)[O-] ZINC000422650884 1194682164 /nfs/dbraw/zinc/68/21/64/1194682164.db2.gz PJGBBZCWTDWYNC-UHFFFAOYSA-N -1 0 397.453 0.779 20 0 GCADRM CCc1c(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1Cc1ccc(F)cc1 ZINC000422656757 1194682501 /nfs/dbraw/zinc/68/25/01/1194682501.db2.gz YZZWSBHIROVRRK-GFCCVEGCSA-N -1 0 389.387 0.900 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000422656643 1194682534 /nfs/dbraw/zinc/68/25/34/1194682534.db2.gz FESIJGNZNFKXBQ-JSGCOSHPSA-N -1 0 389.408 0.446 20 0 GCADRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)C(=O)[O-] ZINC000422654445 1194682649 /nfs/dbraw/zinc/68/26/49/1194682649.db2.gz WTACDHNCSRYNSP-JTQLQIEISA-N -1 0 377.397 0.986 20 0 GCADRM CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422657754 1194682878 /nfs/dbraw/zinc/68/28/78/1194682878.db2.gz AZGTZIXOFHINIV-OAHLLOKOSA-N -1 0 391.424 0.857 20 0 GCADRM CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422657962 1194683099 /nfs/dbraw/zinc/68/30/99/1194683099.db2.gz BUPMEOYCRGVOBW-LLVKDONJSA-N -1 0 376.398 0.398 20 0 GCADRM CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000422658782 1194683137 /nfs/dbraw/zinc/68/31/37/1194683137.db2.gz UVAPBKKKORILEX-AWEZNQCLSA-N -1 0 379.413 0.674 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)C(=O)[O-] ZINC000422658271 1194683441 /nfs/dbraw/zinc/68/34/41/1194683441.db2.gz QHOKWEGQEIPOPW-AWEZNQCLSA-N -1 0 393.444 0.496 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000422658459 1194683495 /nfs/dbraw/zinc/68/34/95/1194683495.db2.gz CZFXIAUYSOOCHW-LBPRGKRZSA-N -1 0 380.788 0.884 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2scnc2C2CC2)C1=O ZINC000422679211 1194683508 /nfs/dbraw/zinc/68/35/08/1194683508.db2.gz SHBMGEJNQOJVON-JQWIXIFHSA-N -1 0 394.453 0.785 20 0 GCADRM CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2ccccc2O1 ZINC000422659158 1194683524 /nfs/dbraw/zinc/68/35/24/1194683524.db2.gz XSIGTZYTPWLUMT-FZMZJTMJSA-N -1 0 377.397 0.142 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]ccc3c2)C1=O ZINC000422680244 1194683745 /nfs/dbraw/zinc/68/37/45/1194683745.db2.gz YOLFNEFBCKGXQX-HUUCEWRRSA-N -1 0 386.408 0.933 20 0 GCADRM CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000422682885 1194683781 /nfs/dbraw/zinc/68/37/81/1194683781.db2.gz BRZFIVHZALIPFF-NEPJUHHUSA-N -1 0 382.438 0.988 20 0 GCADRM CS(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422680845 1194683812 /nfs/dbraw/zinc/68/38/12/1194683812.db2.gz CYBKIPULDJWKGK-APPDUMDISA-N -1 0 380.422 0.742 20 0 GCADRM CS(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000422681842 1194683846 /nfs/dbraw/zinc/68/38/46/1194683846.db2.gz IZYSSLRVSCLHRA-APPDUMDISA-N -1 0 380.422 0.742 20 0 GCADRM COc1ccc(C)cc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422680547 1194683849 /nfs/dbraw/zinc/68/38/49/1194683849.db2.gz ZNMQVVRZAZNZNZ-WFASDCNBSA-N -1 0 391.424 0.768 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc(Cn3cncn3)cc1)C2 ZINC000422681572 1194683885 /nfs/dbraw/zinc/68/38/85/1194683885.db2.gz IHMZCSSCRVECSU-IFXJQAMLSA-N -1 0 383.408 0.978 20 0 GCADRM COC(=O)c1c(NC(=O)C(=O)NC[C@](C)(O)C(=O)[O-])sc2c1CCCCC2 ZINC000422680475 1194683905 /nfs/dbraw/zinc/68/39/05/1194683905.db2.gz ZDZGMSIXBJQTNW-KRWDZBQOSA-N -1 0 398.437 0.694 20 0 GCADRM Cn1c(=O)oc2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c(F)cc21 ZINC000422684548 1194684132 /nfs/dbraw/zinc/68/41/32/1194684132.db2.gz PAVIVEWEIKBLIY-NIVTXAMTSA-N -1 0 391.355 0.922 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000422687198 1194684191 /nfs/dbraw/zinc/68/41/91/1194684191.db2.gz VINBUUGLMRNWPI-CYBMUJFWSA-N -1 0 399.469 0.929 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cc3oc(=O)n(C)c3cc2F)C1 ZINC000422686086 1194684193 /nfs/dbraw/zinc/68/41/93/1194684193.db2.gz HSJJATHSXYPMIB-DTWKUNHWSA-N -1 0 379.344 0.778 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000422684948 1194684238 /nfs/dbraw/zinc/68/42/38/1194684238.db2.gz FYUSQKVWWQWXKT-QWRGUYRKSA-N -1 0 375.360 0.914 20 0 GCADRM Cc1nnnn1-c1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422684549 1194684257 /nfs/dbraw/zinc/68/42/57/1194684257.db2.gz PBXLWHQHTDNGJI-KPZWWZAWSA-N -1 0 384.396 0.623 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])cc(OC)cc1OC ZINC000422685952 1194684283 /nfs/dbraw/zinc/68/42/83/1194684283.db2.gz JLRHVXOQSIWKCP-JTQLQIEISA-N -1 0 396.396 0.998 20 0 GCADRM COCCNC(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422683238 1194684290 /nfs/dbraw/zinc/68/42/90/1194684290.db2.gz CHOKGFZQHILCQC-GXTWGEPZSA-N -1 0 391.424 0.571 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422685446 1194684591 /nfs/dbraw/zinc/68/45/91/1194684591.db2.gz RIDFLMZIRLOOPY-IBGZPJMESA-N -1 0 389.408 0.484 20 0 GCADRM CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000422687076 1194684609 /nfs/dbraw/zinc/68/46/09/1194684609.db2.gz IUFHLXRLALQRRA-NWDGAFQWSA-N -1 0 397.453 0.956 20 0 GCADRM CCNC(=O)COc1cccc(NC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422687994 1194684664 /nfs/dbraw/zinc/68/46/64/1194684664.db2.gz JVQYNDDYSYDZQB-STQMWFEESA-N -1 0 391.424 0.709 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1C(=O)OC ZINC000422665117 1194684671 /nfs/dbraw/zinc/68/46/71/1194684671.db2.gz VELUZDSBBOXORA-LBPRGKRZSA-N -1 0 380.353 0.424 20 0 GCADRM COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c(OC)c(OC)c1 ZINC000422686941 1194684739 /nfs/dbraw/zinc/68/47/39/1194684739.db2.gz KQQDZVXQOJVYRU-VIFPVBQESA-N -1 0 382.369 0.608 20 0 GCADRM COC(=O)c1cc2c(cc1NC(=O)C(=O)NC1CCC(C(=O)[O-])CC1)OCO2 ZINC000422666408 1194684928 /nfs/dbraw/zinc/68/49/28/1194684928.db2.gz IGYKXPFZNRUZFT-UHFFFAOYSA-N -1 0 392.364 0.900 20 0 GCADRM O=C([O-])[C@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000422665358 1194684940 /nfs/dbraw/zinc/68/49/40/1194684940.db2.gz WULDZGJBILSVQQ-GFCCVEGCSA-N -1 0 377.788 0.994 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)cc1OC ZINC000422665471 1194685004 /nfs/dbraw/zinc/68/50/04/1194685004.db2.gz XPYCWBYBHKMHHL-GFCCVEGCSA-N -1 0 394.380 0.895 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C)[C@H](C)C(=O)[O-] ZINC000422668636 1194685398 /nfs/dbraw/zinc/68/53/98/1194685398.db2.gz FFBDDJQDBIINDG-CYBMUJFWSA-N -1 0 392.456 0.746 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)[O-] ZINC000422669023 1194685400 /nfs/dbraw/zinc/68/54/00/1194685400.db2.gz GOCXKAKAGDMFRV-AWEZNQCLSA-N -1 0 379.413 0.852 20 0 GCADRM COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422670030 1194685466 /nfs/dbraw/zinc/68/54/66/1194685466.db2.gz JGEWLMGLMYNYFZ-LLVKDONJSA-N -1 0 393.396 0.158 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C)[C@H](C)C(=O)[O-] ZINC000422668650 1194685507 /nfs/dbraw/zinc/68/55/07/1194685507.db2.gz FGWZICVJJAVUMB-LLVKDONJSA-N -1 0 395.460 0.385 20 0 GCADRM COc1c(C)ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1C ZINC000422669782 1194685838 /nfs/dbraw/zinc/68/58/38/1194685838.db2.gz IJRWQBLUHRNYPL-LBPRGKRZSA-N -1 0 379.413 0.688 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1F ZINC000422670867 1194685911 /nfs/dbraw/zinc/68/59/11/1194685911.db2.gz LLQBDTCELHDUON-SNVBAGLBSA-N -1 0 383.376 0.601 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2)[C@H](C)C(=O)[O-] ZINC000422670586 1194685945 /nfs/dbraw/zinc/68/59/45/1194685945.db2.gz KSPCQBOIQOTFDL-LLVKDONJSA-N -1 0 389.408 0.582 20 0 GCADRM CCOc1cc(C)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422669773 1194685959 /nfs/dbraw/zinc/68/59/59/1194685959.db2.gz IJCIFBJMPCNNKK-GFCCVEGCSA-N -1 0 379.413 0.770 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)[O-] ZINC000422670471 1194685985 /nfs/dbraw/zinc/68/59/85/1194685985.db2.gz KLWZBDHMSXZNDU-ZDUSSCGKSA-N -1 0 397.453 0.707 20 0 GCADRM COc1c(Cl)cccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422671084 1194685987 /nfs/dbraw/zinc/68/59/87/1194685987.db2.gz MBOOCVNGJGABID-SECBINFHSA-N -1 0 385.804 0.725 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)[O-] ZINC000422671995 1194686123 /nfs/dbraw/zinc/68/61/23/1194686123.db2.gz PFTFOXXKNFHZNZ-HNNXBMFYSA-N -1 0 391.424 0.857 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)CCCC2=O)[C@@H](C)C(=O)[O-] ZINC000422672652 1194686130 /nfs/dbraw/zinc/68/61/30/1194686130.db2.gz QXEGLZLQXQBXNG-NSHDSACASA-N -1 0 389.408 0.582 20 0 GCADRM CCCOc1ccccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422672995 1194686180 /nfs/dbraw/zinc/68/61/80/1194686180.db2.gz RTBNKEPCDVXFJN-LBPRGKRZSA-N -1 0 379.413 0.852 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2nc(C)sc2c1)[C@@H](C)C(=O)[O-] ZINC000422673095 1194686246 /nfs/dbraw/zinc/68/62/46/1194686246.db2.gz SDFNAFINOUVKRS-VIFPVBQESA-N -1 0 392.437 0.981 20 0 GCADRM CCOC(=O)c1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC000422671287 1194686286 /nfs/dbraw/zinc/68/62/86/1194686286.db2.gz MTMHCHFHHMOQTJ-NSHDSACASA-N -1 0 393.396 0.240 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(F)c(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000422671706 1194686385 /nfs/dbraw/zinc/68/63/85/1194686385.db2.gz OEFBXIHYJDWETP-ZETCQYMHSA-N -1 0 375.303 0.480 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1OC ZINC000422673975 1194686641 /nfs/dbraw/zinc/68/66/41/1194686641.db2.gz VDXFRRFDHZUOAT-LLVKDONJSA-N -1 0 395.412 0.470 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000422674801 1194686668 /nfs/dbraw/zinc/68/66/68/1194686668.db2.gz USISIOYXGNSRMP-OAHLLOKOSA-N -1 0 389.408 0.626 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1)[C@H](C)C(=O)[O-] ZINC000422673835 1194686724 /nfs/dbraw/zinc/68/67/24/1194686724.db2.gz UWWIJFNPVHROEV-LLVKDONJSA-N -1 0 394.428 0.883 20 0 GCADRM CCCC[C@@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000422673313 1194686733 /nfs/dbraw/zinc/68/67/33/1194686733.db2.gz SVNFIIUHKDTJJZ-GFCCVEGCSA-N -1 0 385.442 0.635 20 0 GCADRM 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GHMXBXUUYWQVAJ-BPLDGKMQSA-N -1 0 386.412 0.393 20 0 GCADRM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081583 955860420 /nfs/dbraw/zinc/86/04/20/955860420.db2.gz UPQLCNGAXJSOCR-SWLSCSKDSA-N -1 0 386.408 0.224 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081582 955860984 /nfs/dbraw/zinc/86/09/84/955860984.db2.gz UPQLCNGAXJSOCR-IUODEOHRSA-N -1 0 386.408 0.224 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001589081581 955861467 /nfs/dbraw/zinc/86/14/67/955861467.db2.gz UPQLCNGAXJSOCR-DOMZBBRYSA-N -1 0 386.408 0.224 20 0 GCADRM O=C([O-])[C@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CC1 ZINC000852945940 955862958 /nfs/dbraw/zinc/86/29/58/955862958.db2.gz KLWCYKDAAKMKBU-AWEZNQCLSA-N -1 0 377.422 0.391 20 0 GCADRM Cn1nc(C(=O)[O-])cc1CN[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC001594571184 955876224 /nfs/dbraw/zinc/87/62/24/955876224.db2.gz BNRGHCYIBUHWOW-SNVBAGLBSA-N -1 0 380.202 0.929 20 0 GCADRM CC(C)N1C(=O)CN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1(C)C ZINC001603068551 972135732 /nfs/dbraw/zinc/13/57/32/972135732.db2.gz KPJAAFOQVUZKTN-ZDUSSCGKSA-N -1 0 382.461 0.493 20 0 GCADRM C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)COCC(=O)[O-])cc2)C1=O ZINC000852957470 955887835 /nfs/dbraw/zinc/88/78/35/955887835.db2.gz PRUBFTVBSJFEHZ-GOSISDBHSA-N -1 0 375.381 0.629 20 0 GCADRM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000852958588 955894179 /nfs/dbraw/zinc/89/41/79/955894179.db2.gz OFAAJLHBWMVMFZ-SMDDNHRTSA-N -1 0 398.341 1.000 20 0 GCADRM CO[C@](C)(C(=O)[O-])C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000852961472 955900024 /nfs/dbraw/zinc/90/00/24/955900024.db2.gz OMHLBQFSHDKUGN-SFHVURJKSA-N -1 0 378.429 0.509 20 0 GCADRM O=C([O-])CN1CC[C@H](N2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)C1=O ZINC000853003544 955900880 /nfs/dbraw/zinc/90/08/80/955900880.db2.gz NRSKTGBDQWKMCK-YVEFUNNKSA-N -1 0 377.784 0.719 20 0 GCADRM CC(C)N1CC[C@@H](NC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1=O 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GMKDQRQEOBEGET-BZPMIXESSA-N -1 0 386.474 0.011 20 0 GCADRM CO[C@@H](CS(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)C1CCCC1 ZINC001593942289 956288142 /nfs/dbraw/zinc/28/81/42/956288142.db2.gz YFHXWTIDXIMEDH-KBPBESRZSA-N -1 0 376.475 0.577 20 0 GCADRM C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589146295 956290321 /nfs/dbraw/zinc/29/03/21/956290321.db2.gz FLIFQUIONXHRKF-PWSUYJOCSA-N -1 0 390.483 0.489 20 0 GCADRM C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001589146590 956294561 /nfs/dbraw/zinc/29/45/61/956294561.db2.gz KTFMQIMUMCPLDZ-JOYOIKCWSA-N -1 0 376.456 0.099 20 0 GCADRM COC(OC)C(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001593944704 956318320 /nfs/dbraw/zinc/31/83/20/956318320.db2.gz OXXATEBCBMIDOV-HUUCEWRRSA-N -1 0 391.424 0.772 20 0 GCADRM CO[C@H]1C[C@H]2CN(C(=O)C3(C(=O)[O-])CCOCC3)Cc3cccnc3N2C1 ZINC001593946321 956332966 /nfs/dbraw/zinc/33/29/66/956332966.db2.gz GJUHUHCJYDYESE-GJZGRUSLSA-N -1 0 375.425 0.899 20 0 GCADRM 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KOOIPPDZQAELPY-PRXAMGSTSA-N -1 0 384.454 0.529 20 0 GCADRM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001592762994 979360440 /nfs/dbraw/zinc/36/04/40/979360440.db2.gz YHQCVLSCYQZATK-GFCCVEGCSA-N -1 0 392.433 0.974 20 0 GCADRM CCC(CC)(NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC001595093075 979389047 /nfs/dbraw/zinc/38/90/47/979389047.db2.gz JWHORWTVGNHCRF-UHFFFAOYSA-N -1 0 385.442 0.683 20 0 GCADRM O=C([O-])COCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000844247003 979391813 /nfs/dbraw/zinc/39/18/13/979391813.db2.gz FWHKQLPEILDZNP-UHFFFAOYSA-N -1 0 375.425 0.211 20 0 GCADRM C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001592781167 979413604 /nfs/dbraw/zinc/41/36/04/979413604.db2.gz SXXXSKIAXYMPOQ-XHDPSFHLSA-N -1 0 382.388 0.393 20 0 GCADRM O=C([O-])Cc1ccccc1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000846235322 979416511 /nfs/dbraw/zinc/41/65/11/979416511.db2.gz CFXMOTXXNWQVAJ-UHFFFAOYSA-N -1 0 383.470 0.008 20 0 GCADRM CCC(CC)[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCOCC1 ZINC001595106127 979428580 /nfs/dbraw/zinc/42/85/80/979428580.db2.gz GBXIPOKRWMXQSW-MRXNPFEDSA-N -1 0 391.534 0.754 20 0 GCADRM CCC(CC)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1)N1CCOCC1 ZINC001595106280 979430534 /nfs/dbraw/zinc/43/05/34/979430534.db2.gz IAKJWYJYRHYXHY-XHSDSOJGSA-N -1 0 399.488 0.639 20 0 GCADRM C[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1)C(=O)[O-] ZINC001592798139 979444975 /nfs/dbraw/zinc/44/49/75/979444975.db2.gz LUHZSYHKNAATBO-AAVRWANBSA-N -1 0 376.475 0.169 20 0 GCADRM CCC(CC)N1C[C@H](C(=O)N2[C@H](C(=O)NCCC(=O)[O-])CS[C@H]2C)CC1=O ZINC001595117301 979482382 /nfs/dbraw/zinc/48/23/82/979482382.db2.gz XFFREHIHCHQAAD-SCRDCRAPSA-N -1 0 399.513 0.904 20 0 GCADRM C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001592808396 979483132 /nfs/dbraw/zinc/48/31/32/979483132.db2.gz LAHDLHCWUZWINZ-ZETCQYMHSA-N -1 0 390.892 0.320 20 0 GCADRM C[C@@H](CS(=O)(=O)NCCNC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC001592809683 979491129 /nfs/dbraw/zinc/49/11/29/979491129.db2.gz SKYIWVIQGMCPCX-QMMMGPOBSA-N -1 0 394.247 0.214 20 0 GCADRM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-] ZINC001592814693 979504135 /nfs/dbraw/zinc/50/41/35/979504135.db2.gz XEJBIJSSRZYWJB-MFKMUULPSA-N -1 0 389.401 0.568 20 0 GCADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)o1 ZINC000851596687 979512170 /nfs/dbraw/zinc/51/21/70/979512170.db2.gz WGAQGJGBFZWELU-GQCTYLIASA-N -1 0 375.381 0.284 20 0 GCADRM C[C@H](CS(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)C(=O)[O-] ZINC001592817123 979519806 /nfs/dbraw/zinc/51/98/06/979519806.db2.gz XBAXCTWTRLITCI-SNVBAGLBSA-N -1 0 394.446 0.506 20 0 GCADRM C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001592821981 979521471 /nfs/dbraw/zinc/52/14/71/979521471.db2.gz BUYPVORTQBBBIX-GPQZVPNXSA-N -1 0 375.472 0.669 20 0 GCADRM CC[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595131457 979553082 /nfs/dbraw/zinc/55/30/82/979553082.db2.gz UXDKDMLCNPGESE-JTQLQIEISA-N -1 0 385.367 0.829 20 0 GCADRM CC[C@H](CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC001595133561 979561537 /nfs/dbraw/zinc/56/15/37/979561537.db2.gz KVQDPMCVUDWYHJ-LLVKDONJSA-N -1 0 383.426 0.392 20 0 GCADRM CC[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)c(Cl)c1)C(=O)[O-] ZINC001595133542 979561615 /nfs/dbraw/zinc/56/16/15/979561615.db2.gz KOLHZZSGTSILRD-QMMMGPOBSA-N -1 0 376.818 0.909 20 0 GCADRM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001592832144 979562523 /nfs/dbraw/zinc/56/25/23/979562523.db2.gz MCZABRUHJDPNRR-ABAIWWIYSA-N -1 0 383.395 0.677 20 0 GCADRM CNC(=O)c1ccc(CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000851679322 979562878 /nfs/dbraw/zinc/56/28/78/979562878.db2.gz ACEWITIMJBRUHK-UHFFFAOYSA-N -1 0 375.425 0.766 20 0 GCADRM COc1ccc(N2C[C@H](NC(=O)C(=O)NCCCCC(=O)[O-])CC2=O)cc1 ZINC000851684036 979564598 /nfs/dbraw/zinc/56/45/98/979564598.db2.gz VMQUBZBYLWOOHS-GFCCVEGCSA-N -1 0 377.397 0.288 20 0 GCADRM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)n1-c1cnn(C)c1 ZINC000852944510 979586916 /nfs/dbraw/zinc/58/69/16/979586916.db2.gz HOWBJQJIBRFEOP-AWEZNQCLSA-N -1 0 380.426 0.151 20 0 GCADRM CC[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)[O-] ZINC001595144461 979608633 /nfs/dbraw/zinc/60/86/33/979608633.db2.gz OHNDURPTKAKYGO-ADLMAVQZSA-N -1 0 377.397 0.689 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H]2C)cc1)C(=O)[O-] ZINC001592853156 979642494 /nfs/dbraw/zinc/64/24/94/979642494.db2.gz KFPYSSAZBLHQDI-NWDGAFQWSA-N -1 0 382.438 0.534 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cc1)C(=O)[O-] ZINC001592853980 979647515 /nfs/dbraw/zinc/64/75/15/979647515.db2.gz OQSUGKIYMPNYGD-SMDDNHRTSA-N -1 0 382.438 0.582 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1)C(=O)[O-] ZINC001592854424 979652015 /nfs/dbraw/zinc/65/20/15/979652015.db2.gz SLZHNJHPLICLGE-SMDDNHRTSA-N -1 0 375.381 0.551 20 0 GCADRM COC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)[O-])c1 ZINC000863414056 979663258 /nfs/dbraw/zinc/66/32/58/979663258.db2.gz WCBSNUFQLILREB-MEDUHNTESA-N -1 0 387.410 0.735 20 0 GCADRM C[C@H](Cc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1)C(=O)[O-] ZINC001592857918 979668039 /nfs/dbraw/zinc/66/80/39/979668039.db2.gz BXJYKYIYFJXPBW-CYBMUJFWSA-N -1 0 383.470 0.466 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1)C(=O)[O-] ZINC001592858498 979672843 /nfs/dbraw/zinc/67/28/43/979672843.db2.gz IJPBOVBMIHOSGT-NSHDSACASA-N -1 0 380.426 0.823 20 0 GCADRM O=C([O-])c1cnn(CC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 ZINC000864102180 979685906 /nfs/dbraw/zinc/68/59/06/979685906.db2.gz JFOXBIBJQPFYJU-UHFFFAOYSA-N -1 0 377.788 0.810 20 0 GCADRM C[C@@H](Cc1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1)C(=O)[O-] ZINC001592865523 979706042 /nfs/dbraw/zinc/70/60/42/979706042.db2.gz CMDZQMRGGZVFBP-NSHDSACASA-N -1 0 384.458 0.562 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001595172456 979741771 /nfs/dbraw/zinc/74/17/71/979741771.db2.gz DYRCCRNEOLCCJN-SSDOTTSWSA-N -1 0 386.398 0.269 20 0 GCADRM CC[C@@H](CNS(C)(=O)=O)NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595172944 979747570 /nfs/dbraw/zinc/74/75/70/979747570.db2.gz VEUMGNYSWJCEAF-IUCAKERBSA-N -1 0 390.487 0.782 20 0 GCADRM CC[C@H](CNS(C)(=O)=O)NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595172945 979747660 /nfs/dbraw/zinc/74/76/60/979747660.db2.gz VEUMGNYSWJCEAF-RKDXNWHRSA-N -1 0 390.487 0.782 20 0 GCADRM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001595173840 979751516 /nfs/dbraw/zinc/75/15/16/979751516.db2.gz FNTJSMHJHUHDMS-INIZCTEOSA-N -1 0 377.441 0.557 20 0 GCADRM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])CC1 ZINC001595173999 979754428 /nfs/dbraw/zinc/75/44/28/979754428.db2.gz KUHKDMCEFZZIBV-AWEZNQCLSA-N -1 0 377.441 0.855 20 0 GCADRM CC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC001595175845 979761546 /nfs/dbraw/zinc/76/15/46/979761546.db2.gz HFXNHPIXRGIJNH-LBPRGKRZSA-N -1 0 379.413 0.389 20 0 GCADRM CO[C@]1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000864169018 979794868 /nfs/dbraw/zinc/79/48/68/979794868.db2.gz FKSMIEVQLUHEKC-SAYIFAPPSA-N -1 0 382.438 0.669 20 0 GCADRM Cn1cc(/C=C\C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c(=O)n(C)c1=O ZINC000864170024 979797058 /nfs/dbraw/zinc/79/70/58/979797058.db2.gz UBRUKHFHVBYMJA-UTCJRWHESA-N -1 0 387.367 0.519 20 0 GCADRM CO[C@@]1(C(=O)[O-])CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000864171119 979800231 /nfs/dbraw/zinc/80/02/31/979800231.db2.gz TZIVTFNDGJRSAJ-SFHVURJKSA-N -1 0 396.465 0.861 20 0 GCADRM CC[C@@H](COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC001595183591 979818458 /nfs/dbraw/zinc/81/84/58/979818458.db2.gz ROADUEOFAOSJQQ-ZETCQYMHSA-N -1 0 387.190 0.547 20 0 GCADRM CC[C@@](COC)(NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC001595187570 979845645 /nfs/dbraw/zinc/84/56/45/979845645.db2.gz DLKPFDAKBMGPBX-IBGZPJMESA-N -1 0 387.392 0.620 20 0 GCADRM CC[C@](COC)(NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)[O-] ZINC001595187571 979845933 /nfs/dbraw/zinc/84/59/33/979845933.db2.gz DLKPFDAKBMGPBX-LJQANCHMSA-N -1 0 387.392 0.620 20 0 GCADRM CC[C@](COC)(NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)[O-] ZINC001595188289 979856868 /nfs/dbraw/zinc/85/68/68/979856868.db2.gz NJSONDKEWDJOKU-MRXNPFEDSA-N -1 0 386.426 0.164 20 0 GCADRM CC[C@@](COC)(NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)[O-] ZINC001595188288 979857285 /nfs/dbraw/zinc/85/72/85/979857285.db2.gz NJSONDKEWDJOKU-INIZCTEOSA-N -1 0 386.426 0.164 20 0 GCADRM CC[C@@](COC)(NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)[O-] ZINC001595188609 979861668 /nfs/dbraw/zinc/86/16/68/979861668.db2.gz UHRILHOKEUURPE-DJJJIMSYSA-N -1 0 392.408 0.807 20 0 GCADRM CC[C@@](COC)(NC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595188691 979862610 /nfs/dbraw/zinc/86/26/10/979862610.db2.gz SHRDMIWIBHYVAN-KRWDZBQOSA-N -1 0 386.470 0.920 20 0 GCADRM C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1 ZINC001592909054 979869659 /nfs/dbraw/zinc/86/96/59/979869659.db2.gz OHDFKHBDOHFRIO-LLVKDONJSA-N -1 0 380.426 0.600 20 0 GCADRM CC[C@](COC)(NC(=O)c1cc(I)nn1C)C(=O)[O-] ZINC001595192950 979881044 /nfs/dbraw/zinc/88/10/44/979881044.db2.gz BKKVANDXAJWXHR-LLVKDONJSA-N -1 0 381.170 0.634 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CN1C(=O)C(F)(F)Oc2ccccc21)C(=O)[O-] ZINC001592916293 979889277 /nfs/dbraw/zinc/88/92/77/979889277.db2.gz DLAJJEORDNOGEY-INIZCTEOSA-N -1 0 394.334 0.861 20 0 GCADRM C[C@](Cn1cccn1)(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C(=O)[O-] ZINC001592916559 979891409 /nfs/dbraw/zinc/89/14/09/979891409.db2.gz IHEBDRCRDIZIIM-LJQANCHMSA-N -1 0 385.424 0.790 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)C1CCN(C(=O)c2cccnc2)CC1)C(=O)[O-] ZINC001592916557 979891478 /nfs/dbraw/zinc/89/14/78/979891478.db2.gz IHEBDRCRDIZIIM-IBGZPJMESA-N -1 0 385.424 0.790 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C(=O)[O-] ZINC001592917533 979895124 /nfs/dbraw/zinc/89/51/24/979895124.db2.gz QALFTPIARJMXSP-INIZCTEOSA-N -1 0 377.401 0.097 20 0 GCADRM CC[C@](COC)(NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)C(=O)[O-] ZINC001595194458 979901182 /nfs/dbraw/zinc/90/11/82/979901182.db2.gz GBMGTGIJUVUATB-DNVCBOLYSA-N -1 0 378.425 0.582 20 0 GCADRM C[C@@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C(N)=O)CCC2)C(=O)[O-] ZINC001592922669 979916847 /nfs/dbraw/zinc/91/68/47/979916847.db2.gz CBWGXDQSHHIORS-KRWDZBQOSA-N -1 0 391.453 0.604 20 0 GCADRM CC[C@@](COC)(NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)[O-] ZINC001595198473 979925943 /nfs/dbraw/zinc/92/59/43/979925943.db2.gz HJGTUZAVMDBWLO-ZDUSSCGKSA-N -1 0 383.419 0.387 20 0 GCADRM C[C@@](Cn1cccn1)(NCC(=O)NCc1cccc(C(=O)NC2CC2)c1)C(=O)[O-] ZINC001592924832 979935251 /nfs/dbraw/zinc/93/52/51/979935251.db2.gz ZUZIYHBFKIGGDB-FQEVSTJZSA-N -1 0 399.451 0.525 20 0 GCADRM C[C@@](Cn1cccn1)(NC(=O)c1cc(S(C)(=O)=O)ncc1Cl)C(=O)[O-] ZINC001592924952 979937177 /nfs/dbraw/zinc/93/71/77/979937177.db2.gz OJDCBGKLPSRACK-AWEZNQCLSA-N -1 0 386.817 0.608 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC001592925803 979943801 /nfs/dbraw/zinc/94/38/01/979943801.db2.gz HRMQXHDJIPGQOQ-OAHLLOKOSA-N -1 0 380.382 0.036 20 0 GCADRM C[C@](Cn1cccn1)(NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(N)=O ZINC001592925978 979946685 /nfs/dbraw/zinc/94/66/85/979946685.db2.gz MPICWCFPGLECJA-CQSZACIVSA-N -1 0 386.817 0.457 20 0 GCADRM C[C@@](Cn1cccn1)(NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001592926752 979951186 /nfs/dbraw/zinc/95/11/86/979951186.db2.gz YIPQLMZLVTWBRD-BSEYFRJRSA-N -1 0 392.503 0.991 20 0 GCADRM COc1ccc([C@@H]2COCCN2C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000868351084 979952292 /nfs/dbraw/zinc/95/22/92/979952292.db2.gz QXQJSHFISDMRNU-HNAYVOBHSA-N -1 0 376.409 0.918 20 0 GCADRM C[C@](Cn1cnc2ccccc21)(NC(=O)C1CC2(C1)CS(=O)(=O)C2)C(=O)[O-] ZINC001592929983 979963278 /nfs/dbraw/zinc/96/32/78/979963278.db2.gz GMYXXTMNEIUNDM-QGZVFWFLSA-N -1 0 391.449 0.821 20 0 GCADRM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001592930066 979964956 /nfs/dbraw/zinc/96/49/56/979964956.db2.gz RDESOACXVNMAQC-GFCCVEGCSA-N -1 0 382.376 0.461 20 0 GCADRM CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001595213645 980008191 /nfs/dbraw/zinc/00/81/91/980008191.db2.gz ULFWKXHBKYQVLU-HUUCEWRRSA-N -1 0 385.424 0.887 20 0 GCADRM CC[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)OC ZINC001595217032 980020478 /nfs/dbraw/zinc/02/04/78/980020478.db2.gz ROUABNFFSTZNQK-VNHYZAJKSA-N -1 0 377.445 0.980 20 0 GCADRM CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)OC ZINC001595217076 980021151 /nfs/dbraw/zinc/02/11/51/980021151.db2.gz TWUXBMJIVKPVRZ-OWCLPIDISA-N -1 0 389.456 0.961 20 0 GCADRM CC[C@H](NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1c(C)noc1C ZINC001595228684 980087421 /nfs/dbraw/zinc/08/74/21/980087421.db2.gz HKKCQZCXJAUBNT-ZJNRKIDTSA-N -1 0 379.413 0.808 20 0 GCADRM C[C@H](NC(=O)C(=O)N1CCC[C@H]1c1nncn1C)c1ncc(C(=O)[O-])s1 ZINC001592970778 980123621 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CCOC(=O)[C@@H]1CN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)C[C@H]1C(F)(F)F ZINC001596679616 984763875 /nfs/dbraw/zinc/76/38/75/984763875.db2.gz FUDGSJCFMONVHE-HBNTYKKESA-N -1 0 394.346 0.510 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCC[C@H]1COC(=O)N1CCCC1)C(=O)[O-] ZINC001599897285 984769083 /nfs/dbraw/zinc/76/90/83/984769083.db2.gz DITJZNNJFKSHRU-IHRRRGAJSA-N -1 0 398.460 0.761 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)C(=O)[O-] ZINC001599897412 984770696 /nfs/dbraw/zinc/77/06/96/984770696.db2.gz FPAGKROMVBMBPO-IHRRRGAJSA-N -1 0 385.461 0.629 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)NCc1ccccc1CS(C)(=O)=O)C(=O)[O-] ZINC001599897383 984770892 /nfs/dbraw/zinc/77/08/92/984770892.db2.gz FEFXSUOIEIBFRR-QWRGUYRKSA-N -1 0 385.442 0.008 20 0 GCADRM C[C@H](NC(=O)[C@H](C)NC(=O)N1CCC(CC(=O)NC2CCCC2)CC1)C(=O)[O-] ZINC001599897463 984771301 /nfs/dbraw/zinc/77/13/01/984771301.db2.gz HDPOPFJVVZRROU-STQMWFEESA-N -1 0 396.488 0.835 20 0 GCADRM 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CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3n[nH]nc3n2)[C@H](C(=O)[O-])C1 ZINC001590034298 989043815 /nfs/dbraw/zinc/04/38/15/989043815.db2.gz CVRFZYNCSSSHJU-LBPRGKRZSA-N -1 0 390.400 0.889 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)C2=C3CCCN=C3NN2)[C@H](C(=O)[O-])C1 ZINC001590034631 989047170 /nfs/dbraw/zinc/04/71/70/989047170.db2.gz HXDVFUKAEIWRGZ-LBPRGKRZSA-N -1 0 393.444 0.463 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc(C(N)=O)cn2)[C@H](C(=O)[O-])C1 ZINC001590034673 989049387 /nfs/dbraw/zinc/04/93/87/989049387.db2.gz JAVNATQKEQXSJM-ZDUSSCGKSA-N -1 0 392.412 0.717 20 0 GCADRM CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)CCCC(=O)[O-])C1 ZINC001590035964 989063128 /nfs/dbraw/zinc/06/31/28/989063128.db2.gz ICGAQADWXQNYHE-LBPRGKRZSA-N -1 0 380.463 0.797 20 0 GCADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C[C@H]1C(=O)[O-] ZINC001599854349 989065110 /nfs/dbraw/zinc/06/51/10/989065110.db2.gz SABHWNDGTBGLEA-XKVFNRALSA-N -1 0 378.400 0.509 20 0 GCADRM 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GCADRM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001599861631 989176281 /nfs/dbraw/zinc/17/62/81/989176281.db2.gz MQXHNXLYEYTRBH-LLVKDONJSA-N -1 0 382.421 0.627 20 0 GCADRM C[C@@H]1CN(C(=O)c2cc(I)nn2C)C[C@@H](C(=O)[O-])O1 ZINC001599862588 989193607 /nfs/dbraw/zinc/19/36/07/989193607.db2.gz FWUQXCRGDAMBRH-SVRRBLITSA-N -1 0 379.154 0.339 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)NCC(=O)NCC(=O)[O-] ZINC001590084876 989197823 /nfs/dbraw/zinc/19/78/23/989197823.db2.gz LJEITXJWEYKWIN-INIZCTEOSA-N -1 0 391.424 0.838 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC001590091697 989211124 /nfs/dbraw/zinc/21/11/24/989211124.db2.gz SSZBWKASHKJEPO-FIYWTHMPSA-N -1 0 392.474 0.529 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001590091714 989211610 /nfs/dbraw/zinc/21/16/10/989211610.db2.gz UHRJBPIKOIIHHU-NXEZZACHSA-N -1 0 376.387 0.236 20 0 GCADRM C[C@@H]1CN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] 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COc1ccc(S(=O)(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)c(F)c1 ZINC001599612011 993967195 /nfs/dbraw/zinc/96/71/95/993967195.db2.gz CQTMMQFBGOAQRG-UHFFFAOYSA-N -1 0 395.430 0.535 20 0 GCADRM CN1CCN(S(=O)(=O)c2cccc(NC(=O)NC3(C(=O)[O-])CC3)c2)CC1 ZINC001598619387 993970708 /nfs/dbraw/zinc/97/07/08/993970708.db2.gz FJNTZDJDJULSKU-UHFFFAOYSA-N -1 0 382.442 0.361 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCNC(=O)CC23CCC3)c(CC(=O)[O-])c1 ZINC001599612315 993971271 /nfs/dbraw/zinc/97/12/71/993971271.db2.gz SMROOJLCKUPPOF-UHFFFAOYSA-N -1 0 382.438 0.756 20 0 GCADRM CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001598619435 993971951 /nfs/dbraw/zinc/97/19/51/993971951.db2.gz LKMUIMOYHCLMBK-ROUUACIJSA-N -1 0 390.484 0.688 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c(OC)c1C(=O)[O-] ZINC001599612713 993975894 /nfs/dbraw/zinc/97/58/94/993975894.db2.gz YYLCFLSTZKXUSX-NSHDSACASA-N -1 0 386.426 0.107 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1C(=O)[O-] ZINC001599612825 993977189 /nfs/dbraw/zinc/97/71/89/993977189.db2.gz LIWKAHZULWGCBO-HZMBPMFUSA-N -1 0 375.443 0.830 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1C(=O)[O-] ZINC001599613101 993980994 /nfs/dbraw/zinc/98/09/94/993980994.db2.gz FOUSXHCEFOMZKW-NSHDSACASA-N -1 0 391.467 0.981 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c(CC(=O)[O-])c1 ZINC001599613189 993981968 /nfs/dbraw/zinc/98/19/68/993981968.db2.gz ITPNWJBVRPIXCT-GFCCVEGCSA-N -1 0 384.454 0.811 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(CC(=O)[O-])c1 ZINC001599613205 993982261 /nfs/dbraw/zinc/98/22/61/993982261.db2.gz PDTXMJWSNVEHQE-OLZOCXBDSA-N -1 0 386.470 0.710 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1NC(C)=O ZINC001599613397 993984047 /nfs/dbraw/zinc/98/40/47/993984047.db2.gz XIEWFGQOSHQHLN-INIZCTEOSA-N -1 0 386.426 0.956 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)N(C)C)C2)c(C(=O)[O-])c1 ZINC001599613573 993986382 /nfs/dbraw/zinc/98/63/82/993986382.db2.gz JGBXLEVWYIRPMS-NSHDSACASA-N -1 0 385.442 0.818 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H]2CCc3nc(C)nn3C2)c(OC)c1C(=O)[O-] ZINC001599613844 993989975 /nfs/dbraw/zinc/98/99/75/993989975.db2.gz CPTFAQLINYGPAU-SNVBAGLBSA-N -1 0 396.425 0.595 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)c(C(=O)[O-])c1 ZINC001599613968 993990660 /nfs/dbraw/zinc/99/06/60/993990660.db2.gz HPBDSCHNWPHJME-LLVKDONJSA-N -1 0 380.426 0.684 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2)c(C(=O)[O-])c1 ZINC001599613969 993990842 /nfs/dbraw/zinc/99/08/42/993990842.db2.gz HPBDSCHNWPHJME-NSHDSACASA-N -1 0 380.426 0.684 20 0 GCADRM CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)CC1 ZINC001598620207 993991988 /nfs/dbraw/zinc/99/19/88/993991988.db2.gz VEEVBUOPUWNXRD-MQMHXKEQSA-N -1 0 396.469 0.607 20 0 GCADRM COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c(CC(=O)[O-])c1 ZINC001599614039 993991857 /nfs/dbraw/zinc/99/18/57/993991857.db2.gz QADGMEIMPQEAKB-HOTGVXAUSA-N -1 0 398.481 0.542 20 0 GCADRM COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001599614221 993993444 /nfs/dbraw/zinc/99/34/44/993993444.db2.gz LDECTGQCOMJLTM-BXKDBHETSA-N -1 0 383.426 0.978 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c2cccnc12 ZINC001599614618 993997825 /nfs/dbraw/zinc/99/78/25/993997825.db2.gz VLWOBVWHQNFHGU-GFCCVEGCSA-N -1 0 393.421 0.597 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@H]2CCN(CC(F)F)C2)c(CC(=O)[O-])c1 ZINC001599614612 993998314 /nfs/dbraw/zinc/99/83/14/993998314.db2.gz UEUXIAOYBPPBTD-NSHDSACASA-N -1 0 378.397 0.940 20 0 GCADRM COc1ccc(S(=O)(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)cc1C(=O)[O-] ZINC001599614703 993999123 /nfs/dbraw/zinc/99/91/23/993999123.db2.gz XKMPHBRNGQWNNL-GFCCVEGCSA-N -1 0 391.467 0.981 20 0 GCADRM COc1ccc(S(=O)(=O)NCC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1OC ZINC001599614916 994001475 /nfs/dbraw/zinc/00/14/75/994001475.db2.gz DFHSCXITFJCUMD-SECBINFHSA-N -1 0 396.368 0.207 20 0 GCADRM COc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1OC ZINC001599614974 994002289 /nfs/dbraw/zinc/00/22/89/994002289.db2.gz GROXJEBHKVYAMO-LLVKDONJSA-N -1 0 384.410 0.272 20 0 GCADRM COc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(C)n2)c(OC)c1C(=O)[O-] ZINC001599615069 994003122 /nfs/dbraw/zinc/00/31/22/994003122.db2.gz LRXCKSPDDYWKGN-UHFFFAOYSA-N -1 0 398.397 0.053 20 0 GCADRM C[C@H](NC(=O)c1ccc(F)cc1NC(=O)[C@@]1(F)CCS(=O)(=O)C1)C(=O)[O-] ZINC001593163897 994004229 /nfs/dbraw/zinc/00/42/29/994004229.db2.gz VVXJRUKLRBNELG-VXJOIVPMSA-N -1 0 390.364 0.494 20 0 GCADRM CN1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H](C(=O)[O-])C1 ZINC001598621024 994005972 /nfs/dbraw/zinc/00/59/72/994005972.db2.gz IBCOEHUHKMLNNT-QMMMGPOBSA-N -1 0 378.863 0.686 20 0 GCADRM C[C@@H](NC(=O)c1ccc(F)cc1NC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)[O-] ZINC001593166457 994006712 /nfs/dbraw/zinc/00/67/12/994006712.db2.gz BMHFCFOOQBRRGB-SSDOTTSWSA-N -1 0 378.316 0.080 20 0 GCADRM COc1ccc(S(=O)(=O)NCCN2CCOC[C@H]2C)c(OC)c1C(=O)[O-] ZINC001599615334 994006965 /nfs/dbraw/zinc/00/69/65/994006965.db2.gz AFHSBDBGYJVXRS-LLVKDONJSA-N -1 0 388.442 0.401 20 0 GCADRM CN1CCN(S(=O)(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC001598621346 994009646 /nfs/dbraw/zinc/00/96/46/994009646.db2.gz NUUXUOAAVMQHTQ-HNNXBMFYSA-N -1 0 375.878 0.808 20 0 GCADRM CN1CCN(S(=O)(=O)N2CCN(Cc3cc(C(=O)[O-])cs3)CC2)CC1 ZINC001598621365 994011263 /nfs/dbraw/zinc/01/12/63/994011263.db2.gz OPPJCBIHXYJNLD-UHFFFAOYSA-N -1 0 388.515 0.056 20 0 GCADRM CN1CCN(S(=O)(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC001598621689 994015840 /nfs/dbraw/zinc/01/58/40/994015840.db2.gz SVUQSBJVOWDVGY-UHFFFAOYSA-N -1 0 382.486 0.753 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(OC)c1C(=O)[O-] ZINC001599616662 994023586 /nfs/dbraw/zinc/02/35/86/994023586.db2.gz ICZCVRYCKLMQGH-SCVCMEIPSA-N -1 0 387.410 0.484 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(N)=O)c(OC)c1C(=O)[O-] ZINC001599616772 994025376 /nfs/dbraw/zinc/02/53/76/994025376.db2.gz AXXYRLBUVCCERY-QMMMGPOBSA-N -1 0 392.455 0.287 20 0 GCADRM COc1ccc(S(=O)(=O)NCC[S@@](=O)CC(F)(F)F)c(C(=O)[O-])c1 ZINC001599616836 994026386 /nfs/dbraw/zinc/02/63/86/994026386.db2.gz SIKSGHKPLLNTNY-HSZRJFAPSA-N -1 0 389.373 0.983 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@]2(C(=O)[O-])C[C@@H]2S(C)(=O)=O)cc1F ZINC001599616862 994026520 /nfs/dbraw/zinc/02/65/20/994026520.db2.gz SNFQTANMUYVYJL-WCQYABFASA-N -1 0 381.403 0.001 20 0 GCADRM COc1ccc(S(=O)(=O)NCC2(S(C)(=O)=O)CCC2)c(CC(=O)[O-])c1 ZINC001599616906 994027427 /nfs/dbraw/zinc/02/74/27/994027427.db2.gz LEYJVEZPUHXVTD-UHFFFAOYSA-N -1 0 391.467 0.568 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])cc1C(N)=O ZINC001599616968 994028510 /nfs/dbraw/zinc/02/85/10/994028510.db2.gz VSKYMGZNPFKRQA-OAHLLOKOSA-N -1 0 394.405 0.605 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccnc(C(=O)[O-])c2)cc1 ZINC001599617154 994030583 /nfs/dbraw/zinc/03/05/83/994030583.db2.gz LDBFWLXPIXJCCO-NSHDSACASA-N -1 0 393.421 0.772 20 0 GCADRM COc1ccc(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)c(CC(=O)[O-])c1 ZINC001599617118 994030741 /nfs/dbraw/zinc/03/07/41/994030741.db2.gz NSYADQJPPWWEKE-ZDUSSCGKSA-N -1 0 391.467 0.568 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@]2(CC(=O)[O-])CCOC2)cc1 ZINC001599617257 994032197 /nfs/dbraw/zinc/03/21/97/994032197.db2.gz PSIAXFRMPVVSHE-ZBEGNZNMSA-N -1 0 386.426 0.112 20 0 GCADRM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cc1 ZINC001599617255 994032497 /nfs/dbraw/zinc/03/24/97/994032497.db2.gz PSIAXFRMPVVSHE-MEDUHNTESA-N -1 0 386.426 0.112 20 0 GCADRM C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593171629 994032640 /nfs/dbraw/zinc/03/26/40/994032640.db2.gz COGYJZGQYXKBPW-RISCZKNCSA-N -1 0 377.422 0.791 20 0 GCADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001598623295 994043887 /nfs/dbraw/zinc/04/38/87/994043887.db2.gz CSYMLHCRJOEGIP-VXGBXAGGSA-N -1 0 389.499 0.681 20 0 GCADRM CN1CCO[C@@H](CS(=O)(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)C1 ZINC001598623293 994044053 /nfs/dbraw/zinc/04/40/53/994044053.db2.gz 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WMCORCVPURZAIY-YPMHNXCESA-N -1 0 384.410 0.073 20 0 GCADRM C[C@@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)C(=O)Nc1ncccc1O ZINC001593326716 994881854 /nfs/dbraw/zinc/88/18/54/994881854.db2.gz YNPNZGGISFJKML-KKOKHZNYSA-N -1 0 385.442 0.923 20 0 GCADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1N=NC(=O)N1C ZINC001593330622 994895706 /nfs/dbraw/zinc/89/57/06/994895706.db2.gz MAWXGVAVDBHQIW-BYPYZUCNSA-N -1 0 395.191 0.614 20 0 GCADRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nnc2c(=O)[nH]ccn21 ZINC001593334075 994908683 /nfs/dbraw/zinc/90/86/83/994908683.db2.gz JLOUDWLDLNBFRB-ZETCQYMHSA-N -1 0 397.800 0.809 20 0 GCADRM COc1cccc(Cn2cccc(NC(=O)N3CC[C@@](O)(C(=O)[O-])C3)c2=O)n1 ZINC001599677145 994917193 /nfs/dbraw/zinc/91/71/93/994917193.db2.gz MSULXXOFLQERAX-SFHVURJKSA-N -1 0 388.380 0.354 20 0 GCADRM C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1nnc2c(=O)[nH]ccn21 ZINC001593337635 994924261 /nfs/dbraw/zinc/92/42/61/994924261.db2.gz PBYUENWQYJWMDB-SSDOTTSWSA-N -1 0 381.345 0.294 20 0 GCADRM 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DCGOKAHJKXAPKW-CYBMUJFWSA-N -1 0 376.365 0.467 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3C)[C@H](C(=O)[O-])C1 ZINC001598802730 996154769 /nfs/dbraw/zinc/15/47/69/996154769.db2.gz HSJCLIPBKIRGEB-FZMZJTMJSA-N -1 0 399.407 0.419 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC001598802813 996155309 /nfs/dbraw/zinc/15/53/09/996155309.db2.gz IWSYAFGJTRFJRS-FRRDWIJNSA-N -1 0 377.459 0.860 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC001598803235 996159247 /nfs/dbraw/zinc/15/92/47/996159247.db2.gz JWFABTWZEDAERC-ZDUSSCGKSA-N -1 0 375.337 0.205 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2C)C[C@@H]1C(=O)[O-] ZINC001598803196 996159315 /nfs/dbraw/zinc/15/93/15/996159315.db2.gz JMHFPOBJKKWVLS-LSDHHAIUSA-N -1 0 376.409 0.328 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598804195 996168615 /nfs/dbraw/zinc/16/86/15/996168615.db2.gz SUJZMOKGGPBHHQ-WDEREUQCSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598804193 996168669 /nfs/dbraw/zinc/16/86/69/996168669.db2.gz SUJZMOKGGPBHHQ-MNOVXSKESA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@@H]1CCc2sc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3=O)nc2C1 ZINC001598804183 996168736 /nfs/dbraw/zinc/16/87/36/996168736.db2.gz SSSDZSQNYRYTEO-ZJUUUORDSA-N -1 0 395.437 0.683 20 0 GCADRM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001593699639 996171145 /nfs/dbraw/zinc/17/11/45/996171145.db2.gz PXKNZGUVPJRBPN-SNVBAGLBSA-N -1 0 399.450 0.809 20 0 GCADRM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593700034 996174214 /nfs/dbraw/zinc/17/42/14/996174214.db2.gz SWDXESFFVCHEBO-DOMZBBRYSA-N -1 0 396.465 0.933 20 0 GCADRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001593703171 996179175 /nfs/dbraw/zinc/17/91/75/996179175.db2.gz LCUVOXBGOBODRG-LLVKDONJSA-N -1 0 393.421 0.414 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@H](C(=O)[O-])C1 ZINC001598805314 996180566 /nfs/dbraw/zinc/18/05/66/996180566.db2.gz WEBXTXLFEFEXIO-JQWIXIFHSA-N -1 0 390.845 0.826 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2ccc(Cl)c(S(N)(=O)=O)c2)[C@@H](C(=O)[O-])C1 ZINC001598805313 996180631 /nfs/dbraw/zinc/18/06/31/996180631.db2.gz WEBXTXLFEFEXIO-CMPLNLGQSA-N -1 0 390.845 0.826 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598805446 996181698 /nfs/dbraw/zinc/18/16/98/996181698.db2.gz CGPGJHYAHVJXOR-UONOGXRCSA-N -1 0 383.445 0.539 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)CC(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598805445 996181757 /nfs/dbraw/zinc/18/17/57/996181757.db2.gz CGPGJHYAHVJXOR-KGLIPLIRSA-N -1 0 383.445 0.539 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593704002 996182107 /nfs/dbraw/zinc/18/21/07/996182107.db2.gz WQPSBMMGBQOITQ-ZKYQVNSYSA-N -1 0 385.442 0.526 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC001593704041 996183007 /nfs/dbraw/zinc/18/30/07/996183007.db2.gz XYBATCCHKWRQET-JTQLQIEISA-N -1 0 399.450 0.809 20 0 GCADRM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O ZINC001593704927 996186151 /nfs/dbraw/zinc/18/61/51/996186151.db2.gz FCHFBYMMHIRLFG-GOEBONIOSA-N -1 0 389.452 0.988 20 0 GCADRM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001593704929 996186399 /nfs/dbraw/zinc/18/63/99/996186399.db2.gz FCHFBYMMHIRLFG-HOCLYGCPSA-N -1 0 389.452 0.988 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(Cn3ccnc3)c2)C[C@H]1C(=O)[O-] ZINC001598806259 996189581 /nfs/dbraw/zinc/18/95/81/996189581.db2.gz COJVFAJLQIBIKI-HZPDHXFCSA-N -1 0 386.408 0.947 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C(=O)[O-] ZINC001598806248 996189600 /nfs/dbraw/zinc/18/96/00/996189600.db2.gz FYUMCZJEUOIPBF-XHSDSOJGSA-N -1 0 393.440 0.813 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001598806239 996189636 /nfs/dbraw/zinc/18/96/36/996189636.db2.gz CJGVVMPQHOCUHN-KBPBESRZSA-N -1 0 395.387 0.461 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCN2CCCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598806493 996191947 /nfs/dbraw/zinc/19/19/47/996191947.db2.gz DEAKNQGUSDWJED-HUUCEWRRSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)C[C@@H]1C(=O)[O-] ZINC001598806561 996192690 /nfs/dbraw/zinc/19/26/90/996192690.db2.gz GYSFXEXJHSPBQF-QLFBSQMISA-N -1 0 377.393 0.729 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)C[C@@H]1C(=O)[O-] ZINC001598806948 996196130 /nfs/dbraw/zinc/19/61/30/996196130.db2.gz JHPHUEUGBGPEMO-QJPTWQEYSA-N -1 0 398.437 0.463 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H](N)c2ccccc2Br)C[C@@H]1C(=O)[O-] ZINC001598807385 996199600 /nfs/dbraw/zinc/19/96/00/996199600.db2.gz MFBPFQMMUJOADV-HOSYDEDBSA-N -1 0 385.214 0.781 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)C[C@H]1C(=O)[O-] ZINC001598807334 996199775 /nfs/dbraw/zinc/19/97/75/996199775.db2.gz LYGQBSBRDIGMAU-BZUAXINKSA-N -1 0 388.420 0.676 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)C[C@H]1C(=O)[O-] ZINC001598807481 996200790 /nfs/dbraw/zinc/20/07/90/996200790.db2.gz JZZJLUJSSISDQH-UPJWGTAASA-N -1 0 377.397 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598807641 996202007 /nfs/dbraw/zinc/20/20/07/996202007.db2.gz MLKYBXZIQZCHKE-CZIZLABSSA-N -1 0 388.392 0.668 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)C[C@@H]1C(=O)[O-] ZINC001598807923 996204305 /nfs/dbraw/zinc/20/43/05/996204305.db2.gz CDTBWLUGGXMZKG-UONOGXRCSA-N -1 0 388.424 0.768 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598807918 996204374 /nfs/dbraw/zinc/20/43/74/996204374.db2.gz LSVCVGNLVCUJRJ-DDTOSNHZSA-N -1 0 389.408 0.782 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)C[C@H]1C(=O)[O-] ZINC001598807925 996204589 /nfs/dbraw/zinc/20/45/89/996204589.db2.gz CDTBWLUGGXMZKG-ZIAGYGMSSA-N -1 0 388.424 0.768 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC[S@@](=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598808079 996205684 /nfs/dbraw/zinc/20/56/84/996205684.db2.gz KXOSOVPMPIUGKZ-UPINHGDLSA-N -1 0 382.438 0.451 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598808151 996206309 /nfs/dbraw/zinc/20/63/09/996206309.db2.gz OCCNXNMHMNXSFA-BBBLOLIVSA-N -1 0 396.318 0.482 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2c(C(F)(F)F)cnn2C)C[C@H]1C(=O)[O-] ZINC001598808475 996209250 /nfs/dbraw/zinc/20/92/50/996209250.db2.gz MGPNQEGBZQLMKN-HTQZYQBOSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@]2(C)OCCc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808474 996209424 /nfs/dbraw/zinc/20/94/24/996209424.db2.gz MGBIAWIKKDHIKO-PJIJBLCYSA-N -1 0 376.409 0.990 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808965 996213654 /nfs/dbraw/zinc/21/36/54/996213654.db2.gz QKNGYRIOXACAKS-BZUAXINKSA-N -1 0 388.420 0.818 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCN2C(=O)CCc3cc(F)ccc32)C[C@@H]1C(=O)[O-] ZINC001598809547 996218395 /nfs/dbraw/zinc/21/83/95/996218395.db2.gz IDXVTHGFRDGVLJ-KBPBESRZSA-N -1 0 392.383 0.827 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C[C@@H]1C(=O)[O-] ZINC001598809562 996218453 /nfs/dbraw/zinc/21/84/53/996218453.db2.gz SMRZBYWDADHRIJ-NNVWEFMASA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)C[C@H]1C(=O)[O-] ZINC001598809559 996218457 /nfs/dbraw/zinc/21/84/57/996218457.db2.gz SMRZBYWDADHRIJ-FWJBWGTRSA-N -1 0 380.441 0.746 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cc(C(F)(F)F)n(C)n2)C[C@H]1C(=O)[O-] ZINC001598809745 996220153 /nfs/dbraw/zinc/22/01/53/996220153.db2.gz RBQIMXDUHYGMEH-RKDXNWHRSA-N -1 0 378.307 0.454 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598809949 996222371 /nfs/dbraw/zinc/22/23/71/996222371.db2.gz RRWIADDYTPDPFK-RWMBFGLXSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001598809964 996222520 /nfs/dbraw/zinc/22/25/20/996222520.db2.gz SGCLHHWKTINYRE-OLZOCXBDSA-N -1 0 385.417 0.511 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C[C@H]1C(=O)[O-] ZINC001598810035 996222755 /nfs/dbraw/zinc/22/27/55/996222755.db2.gz SRAODSNPYMSVGN-ZJUUUORDSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598810002 996223073 /nfs/dbraw/zinc/22/30/73/996223073.db2.gz JKAPRIHACHADDL-QEJZJMRPSA-N -1 0 376.409 0.976 20 0 GCADRM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001593713705 996223817 /nfs/dbraw/zinc/22/38/17/996223817.db2.gz MYNCJXSPBCRDPB-HHXXYDBFSA-N -1 0 375.469 0.802 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598810136 996224244 /nfs/dbraw/zinc/22/42/44/996224244.db2.gz VASMIKNLARBYCL-XUOCYBMCSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCCOc2cccc(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598810214 996225161 /nfs/dbraw/zinc/22/51/61/996225161.db2.gz SOJBCDQJDSBBMR-GJZGRUSLSA-N -1 0 380.397 0.979 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598810319 996225520 /nfs/dbraw/zinc/22/55/20/996225520.db2.gz SXBONOLIAVRQIM-BFHYXJOUSA-N -1 0 375.381 0.307 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598810318 996225804 /nfs/dbraw/zinc/22/58/04/996225804.db2.gz WHNDJZZLFMCKKP-ADEWGFFLSA-N -1 0 388.380 0.013 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598810311 996225829 /nfs/dbraw/zinc/22/58/29/996225829.db2.gz WBEBMHSQRJRTSY-MVWJERBFSA-N -1 0 396.346 0.650 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2nccn2C)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598810430 996226618 /nfs/dbraw/zinc/22/66/18/996226618.db2.gz KRLHODLCOLGXMR-BBBLOLIVSA-N -1 0 377.319 0.788 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598811043 996232021 /nfs/dbraw/zinc/23/20/21/996232021.db2.gz XTTKXUAPFNLNLD-TUAOUCFPSA-N -1 0 382.413 0.576 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)C[C@@H]1C(=O)[O-] ZINC001598811089 996232039 /nfs/dbraw/zinc/23/20/39/996232039.db2.gz YNZYYNKMZDGYFK-QITAHTHBSA-N -1 0 386.364 0.390 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCN(Cc2ccccc2)C(C)=O)C[C@H]1C(=O)[O-] ZINC001598811271 996233931 /nfs/dbraw/zinc/23/39/31/996233931.db2.gz NHODQDMCWUDRFN-HZPDHXFCSA-N -1 0 376.409 0.757 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCCN(C)C(=O)c2ccncc2)C[C@@H]1C(=O)[O-] ZINC001598811407 996234821 /nfs/dbraw/zinc/23/48/21/996234821.db2.gz NWNTUMBJQAYABF-UONOGXRCSA-N -1 0 377.397 0.266 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(N3CCCC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598811505 996235575 /nfs/dbraw/zinc/23/55/75/996235575.db2.gz XCLPWSXKAYKSLX-LSDHHAIUSA-N -1 0 389.408 0.829 20 0 GCADRM C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N2CC(O)(C(=O)[O-])C2)C1=O ZINC001593717646 996236218 /nfs/dbraw/zinc/23/62/18/996236218.db2.gz OPFHGYRGLXSXHX-SMDDNHRTSA-N -1 0 379.388 0.719 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc3c2OCCCO3)C[C@@H]1C(=O)[O-] ZINC001598811609 996236731 /nfs/dbraw/zinc/23/67/31/996236731.db2.gz AWSLUPZKPORARV-QWHCGFSZSA-N -1 0 378.381 0.863 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598812191 996241317 /nfs/dbraw/zinc/24/13/17/996241317.db2.gz ZMINABORPDZTDW-OPRDCNLKSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CC2(NC(=O)OC(C)(C)C)COC2)C[C@H]1C(=O)[O-] ZINC001598812511 996244248 /nfs/dbraw/zinc/24/42/48/996244248.db2.gz QHNSRNLUBSXBRW-GHMZBOCLSA-N -1 0 386.401 0.002 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCO1 ZINC001598812965 996247210 /nfs/dbraw/zinc/24/72/10/996247210.db2.gz FJNJSQCYPLSAAK-ZDUSSCGKSA-N -1 0 375.341 0.371 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598813073 996248083 /nfs/dbraw/zinc/24/80/83/996248083.db2.gz RZKDPPHPCAMOLU-VXGBXAGGSA-N -1 0 388.380 0.015 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598813226 996248957 /nfs/dbraw/zinc/24/89/57/996248957.db2.gz UEPHIZKOWBZLBH-PHIMTYICSA-N -1 0 394.380 0.187 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)C[C@H]1C(=O)[O-] ZINC001598814002 996253974 /nfs/dbraw/zinc/25/39/74/996253974.db2.gz BCDLLGPOHCRJNY-CABCVRRESA-N -1 0 391.380 0.549 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C[C@@H]1C(=O)[O-] ZINC001598814089 996254615 /nfs/dbraw/zinc/25/46/15/996254615.db2.gz XAMZGUREDOJHSV-VHSXEESVSA-N -1 0 398.318 0.337 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2c(Br)nc3n2CCC3)C[C@H]1C(=O)[O-] ZINC001598814992 996262570 /nfs/dbraw/zinc/26/25/70/996262570.db2.gz NYMWAEUDMJLZRL-SFYZADRCSA-N -1 0 386.202 0.538 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598815216 996265031 /nfs/dbraw/zinc/26/50/31/996265031.db2.gz LTHXECZOCBFXRZ-MNOVXSKESA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C(=O)[O-] ZINC001598815341 996265538 /nfs/dbraw/zinc/26/55/38/996265538.db2.gz OYURTHSIYAZZNT-NSAWSLCGSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001598815522 996267552 /nfs/dbraw/zinc/26/75/52/996267552.db2.gz NFWBNMTZCBERGR-OLZOCXBDSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598815873 996269894 /nfs/dbraw/zinc/26/98/94/996269894.db2.gz PWOFBRSVRKLXSU-KBPBESRZSA-N -1 0 391.380 0.976 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001598815915 996270290 /nfs/dbraw/zinc/27/02/90/996270290.db2.gz OYTPEABGPFGMIC-OKILXGFUSA-N -1 0 394.380 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])C1 ZINC001598816038 996271192 /nfs/dbraw/zinc/27/11/92/996271192.db2.gz ADRGIBYZAXFROQ-LBPRGKRZSA-N -1 0 379.413 0.330 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C[C@@H]1C(=O)[O-] ZINC001598816206 996272611 /nfs/dbraw/zinc/27/26/11/996272611.db2.gz QFHLFLZPSRUQSW-UONOGXRCSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)C[C@H]1C(=O)[O-] ZINC001598816214 996272720 /nfs/dbraw/zinc/27/27/20/996272720.db2.gz QSMAABISFKWNHO-MCIONIFRSA-N -1 0 375.381 0.975 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001598816440 996275886 /nfs/dbraw/zinc/27/58/86/996275886.db2.gz BYCMETOGKBEUEU-JTQLQIEISA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC12CN(C(=O)OC(C)(C)C)C2 ZINC001598816740 996277900 /nfs/dbraw/zinc/27/79/00/996277900.db2.gz TYNAYAZMHVBNDI-YNEHKIRRSA-N -1 0 396.440 0.966 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@@H]1C(=O)[O-] ZINC001598816827 996279490 /nfs/dbraw/zinc/27/94/90/996279490.db2.gz SBPQKYHHZHPAKW-STQMWFEESA-N -1 0 393.396 0.910 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C[C@H]1C(=O)[O-] ZINC001598817196 996283124 /nfs/dbraw/zinc/28/31/24/996283124.db2.gz TUESUFCOFNVUIA-CHWSQXEVSA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C1 ZINC001598817895 996290807 /nfs/dbraw/zinc/29/08/07/996290807.db2.gz IGQQARFQYBTUGF-SNVBAGLBSA-N -1 0 390.845 0.764 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2ncc(Br)s2)C[C@H]1C(=O)[O-] ZINC001598817996 996292022 /nfs/dbraw/zinc/29/20/22/996292022.db2.gz XDKPYTMLJNHVHH-RQJHMYQMSA-N -1 0 392.231 0.921 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)C[C@H]1C(=O)[O-] ZINC001598818262 996295012 /nfs/dbraw/zinc/29/50/12/996295012.db2.gz PYOQCMBLLLEHRF-NEPJUHHUSA-N -1 0 390.371 0.848 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccn(-c3ncccc3F)n2)C[C@@H]1C(=O)[O-] ZINC001598818347 996295744 /nfs/dbraw/zinc/29/57/44/996295744.db2.gz YTDOVOROIRVYMS-VHSXEESVSA-N -1 0 377.332 0.744 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@@H]1C(=O)[O-] ZINC001598818414 996296242 /nfs/dbraw/zinc/29/62/42/996296242.db2.gz XYPCVTYXTHSSLB-WDEREUQCSA-N -1 0 379.344 0.449 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598818913 996302044 /nfs/dbraw/zinc/30/20/44/996302044.db2.gz ZASTWOXXVKYPTM-FDYHWXHSSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C(=O)[O-] ZINC001598820380 996318840 /nfs/dbraw/zinc/31/88/40/996318840.db2.gz WRPIAYPDUUACIP-HUUCEWRRSA-N -1 0 390.392 0.105 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC001598820740 996324055 /nfs/dbraw/zinc/32/40/55/996324055.db2.gz HRCLACPERCDDIV-NEPJUHHUSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)C[C@H]1C(=O)[O-] ZINC001598821946 996338433 /nfs/dbraw/zinc/33/84/33/996338433.db2.gz MWCXWUGYSGECCY-MVWJERBFSA-N -1 0 375.381 0.409 20 0 GCADRM C[C@@H](c1nccs1)N1CCN(C(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001593737954 996341659 /nfs/dbraw/zinc/34/16/59/996341659.db2.gz UTJCPHXOEUELHK-LBPRGKRZSA-N -1 0 376.438 0.908 20 0 GCADRM COC(=O)[C@H]1CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C(=O)[O-] ZINC001598823136 996352166 /nfs/dbraw/zinc/35/21/66/996352166.db2.gz VIJAVOMRXRTYKV-NEPJUHHUSA-N -1 0 389.408 0.556 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)C[C@@H]1C(=O)[O-] ZINC001598823371 996355341 /nfs/dbraw/zinc/35/53/41/996355341.db2.gz CFAMJGPEBDWYSN-QWHCGFSZSA-N -1 0 394.405 0.331 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)OC ZINC001598823892 996360596 /nfs/dbraw/zinc/36/05/96/996360596.db2.gz DPASQSYQPWKUFG-CHWSQXEVSA-N -1 0 385.394 0.109 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C[C@H]1C(=O)OC ZINC001598824530 996366911 /nfs/dbraw/zinc/36/69/11/996366911.db2.gz HECVAYOWQYNGFX-VXGBXAGGSA-N -1 0 385.394 0.276 20 0 GCADRM COC(=O)[C@H]1CSCCN1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001598824789 996370380 /nfs/dbraw/zinc/37/03/80/996370380.db2.gz KIZBNOCQXUGLAW-HUUCEWRRSA-N -1 0 378.450 0.615 20 0 GCADRM COC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001598824766 996370489 /nfs/dbraw/zinc/37/04/89/996370489.db2.gz JQTVAKBDPBTLJE-MRVPVSSYSA-N -1 0 381.378 0.942 20 0 GCADRM COC(=O)[C@H]1CSCCN1CCOCCN1CCSC[C@@H]1C(=O)[O-] ZINC001598824871 996371182 /nfs/dbraw/zinc/37/11/82/996371182.db2.gz KXIOUQBJZCPDDY-CHWSQXEVSA-N -1 0 378.516 0.095 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(COc3ccccc3F)n2C)C[C@@H]1C(=O)[O-] ZINC001598825000 996372516 /nfs/dbraw/zinc/37/25/16/996372516.db2.gz BIOMJMZWPSUWFL-WDEREUQCSA-N -1 0 378.360 0.843 20 0 GCADRM C[C@@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC(c2ccccc2)=NO1 ZINC001593748105 996376912 /nfs/dbraw/zinc/37/69/12/996376912.db2.gz DSHSOMGHRYJTDV-PMACEKPBSA-N -1 0 387.436 0.958 20 0 GCADRM C[C@]1(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)CC(c2ccccc2)=NO1 ZINC001593748106 996377091 /nfs/dbraw/zinc/37/70/91/996377091.db2.gz DSHSOMGHRYJTDV-UXHICEINSA-N -1 0 387.436 0.958 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3C[C@@H]3C)n2C[C@@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598826528 996388742 /nfs/dbraw/zinc/38/87/42/996388742.db2.gz ILCYCJVXKAHOFD-PDWCTOEPSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC001598826946 996392959 /nfs/dbraw/zinc/39/29/59/996392959.db2.gz KYIQCPLLJIALNA-GHMZBOCLSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC001598827049 996394204 /nfs/dbraw/zinc/39/42/04/996394204.db2.gz PBFFRMSGRXBPRO-QWRGUYRKSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@@H]1C(=O)[O-] ZINC001598827232 996395832 /nfs/dbraw/zinc/39/58/32/996395832.db2.gz LSPFCRDCOJOGMS-RYUDHWBXSA-N -1 0 380.378 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2ccno2)C[C@@H]1C(=O)[O-] ZINC001598827231 996395946 /nfs/dbraw/zinc/39/59/46/996395946.db2.gz LSPFCRDCOJOGMS-NWDGAFQWSA-N -1 0 380.378 0.836 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(CC(C)C)n2C[C@@H]2CCCO2)C[C@@H]1C(=O)[O-] ZINC001598827535 996399695 /nfs/dbraw/zinc/39/96/95/996399695.db2.gz NFZPVSLUCDOERE-MELADBBJSA-N -1 0 380.445 0.966 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c2ccccc2O1 ZINC001598827808 996402189 /nfs/dbraw/zinc/40/21/89/996402189.db2.gz UJXNKXNETJZIKS-AWEZNQCLSA-N -1 0 380.378 0.853 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@@H]1C(=O)[O-] ZINC001598828308 996408579 /nfs/dbraw/zinc/40/85/79/996408579.db2.gz QLYPYUDCHVHMPI-UONOGXRCSA-N -1 0 391.405 0.638 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H]1C(=O)[O-] ZINC001598828307 996408849 /nfs/dbraw/zinc/40/88/49/996408849.db2.gz QLYPYUDCHVHMPI-KGLIPLIRSA-N -1 0 391.405 0.638 20 0 GCADRM COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN1CCC[C@H](C(=O)[O-])C1=O ZINC001598828400 996409407 /nfs/dbraw/zinc/40/94/07/996409407.db2.gz CARLVAQGQSEVPV-LSDHHAIUSA-N -1 0 390.392 0.142 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2OC)C[C@@H]1C(=O)[O-] ZINC001598828437 996409536 /nfs/dbraw/zinc/40/95/36/996409536.db2.gz WDEQWMDHLGHHMU-NWDGAFQWSA-N -1 0 375.374 0.470 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)C[C@H]1C(=O)[O-] ZINC001598828403 996409542 /nfs/dbraw/zinc/40/95/42/996409542.db2.gz RINSAJLHOJUANC-KGLIPLIRSA-N -1 0 382.438 0.169 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc(C(C)(C)c3nccs3)n2C)C[C@@H]1C(=O)[O-] ZINC001598828786 996413102 /nfs/dbraw/zinc/41/31/02/996413102.db2.gz SJZWDFBLODXGFD-VHSXEESVSA-N -1 0 379.442 0.908 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001593761458 996422049 /nfs/dbraw/zinc/42/20/49/996422049.db2.gz AVPQHNBFWBOWPX-XHDPSFHLSA-N -1 0 379.379 0.700 20 0 GCADRM COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001598829569 996422086 /nfs/dbraw/zinc/42/20/86/996422086.db2.gz UTHILSXSMIXIOS-LLVKDONJSA-N -1 0 378.353 0.189 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001598829734 996423220 /nfs/dbraw/zinc/42/32/20/996423220.db2.gz KOIRCKQJDIEZSS-RCBQFDQVSA-N -1 0 376.409 0.287 20 0 GCADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC001593762480 996431345 /nfs/dbraw/zinc/43/13/45/996431345.db2.gz MOGUVVFAQUIJKN-FZKQIMNGSA-N -1 0 375.429 0.275 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NCc2ccccc2Cn2cncn2)C1 ZINC001593764638 996438649 /nfs/dbraw/zinc/43/86/49/996438649.db2.gz JZSJISUBTVSRDL-IBGZPJMESA-N -1 0 385.424 0.656 20 0 GCADRM COC(=O)C[C@](C)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1ccccn1 ZINC001598833453 996460541 /nfs/dbraw/zinc/46/05/41/996460541.db2.gz QFTOAQYZGPJWQA-SGTLLEGYSA-N -1 0 377.397 0.299 20 0 GCADRM COC(=O)C[C@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccncc1 ZINC001598835186 996477941 /nfs/dbraw/zinc/47/79/41/996477941.db2.gz DLVDVNNGYXTQPM-HNNXBMFYSA-N -1 0 382.398 0.120 20 0 GCADRM COC(=O)/C=C\c1ccc(S(=O)(=O)N[C@@H](CCC2OCCO2)C(=O)[O-])cc1 ZINC001598835399 996479666 /nfs/dbraw/zinc/47/96/66/996479666.db2.gz XKGJKVFRYODDDQ-VCDPDADVSA-N -1 0 399.421 0.757 20 0 GCADRM COC(=O)C[C@](C)(NS(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ccccn1 ZINC001598835569 996481093 /nfs/dbraw/zinc/48/10/93/996481093.db2.gz HSMWGEGTZAFGKY-HNNXBMFYSA-N -1 0 382.398 0.120 20 0 GCADRM COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C(=O)[O-] ZINC001598836613 996490376 /nfs/dbraw/zinc/49/03/76/996490376.db2.gz DKORTAVBIRCFJQ-FHGNATFXSA-N -1 0 397.428 0.256 20 0 GCADRM COC(=O)C[C@@H](NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O)C(=O)[O-] ZINC001598836663 996491010 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GCADRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000372267094 530765826 /nfs/dbraw/zinc/76/58/26/530765826.db2.gz IVTXKLHSEJAEQQ-LLVKDONJSA-N -1 0 376.818 0.516 20 0 GCADRM C[C@@H](C(=O)[O-])N(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000485598539 530799277 /nfs/dbraw/zinc/79/92/77/530799277.db2.gz HCSKAKQMMSVJBG-JTQLQIEISA-N -1 0 388.467 0.847 20 0 GCADRM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000485924842 530801426 /nfs/dbraw/zinc/80/14/26/530801426.db2.gz KSPYFDRUTPCGAT-VHSXEESVSA-N -1 0 380.444 0.029 20 0 GCADRM CNS(=O)(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000375749329 530807196 /nfs/dbraw/zinc/80/71/96/530807196.db2.gz NIASANDZJWXZOV-LBPRGKRZSA-N -1 0 384.845 0.995 20 0 GCADRM COC(=O)c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([C@H](O)C(=O)[O-])C1 ZINC000616176376 530802553 /nfs/dbraw/zinc/80/25/53/530802553.db2.gz JUPUAIAMTNOFEZ-RNCFNFMXSA-N -1 0 375.374 0.459 20 0 GCADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000486037909 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COC(=O)Cn1cnc([N-]S(=O)(=O)c2sc(C(=O)OC)cc2OC)n1 ZINC000484421262 530793028 /nfs/dbraw/zinc/79/30/28/530793028.db2.gz ABCAOKIBVQHIEF-UHFFFAOYSA-N -1 0 390.399 0.109 20 0 GCADRM CS(=O)(=O)[N-]c1nnc(NC(=O)CCn2cc(Br)cn2)s1 ZINC000618350408 530806969 /nfs/dbraw/zinc/80/69/69/530806969.db2.gz KXYDRFWQWDLTLF-UHFFFAOYSA-N -1 0 395.264 0.897 20 0 GCADRM COC(=O)c1c(OC)ccc(S(=O)(=O)N(CC(=O)[O-])C(C)C)c1OC ZINC000484900674 530795732 /nfs/dbraw/zinc/79/57/32/530795732.db2.gz PMRJTIYNQQXAFY-UHFFFAOYSA-N -1 0 375.399 0.974 20 0 GCADRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1)C(=O)[O-] ZINC000656170727 530826990 /nfs/dbraw/zinc/82/69/90/530826990.db2.gz HLERLFHLCNKCII-NEPJUHHUSA-N -1 0 390.483 0.846 20 0 GCADRM CCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000377451294 530827090 /nfs/dbraw/zinc/82/70/90/530827090.db2.gz FTKFNRUNWRWSAR-GFCCVEGCSA-N -1 0 391.467 0.735 20 0 GCADRM C[C@@H](CC1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1)C(=O)[O-] ZINC000656171864 530827168 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390.468 0.406 20 0 GCADRM C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1)C1CC1 ZINC000656366209 530835370 /nfs/dbraw/zinc/83/53/70/530835370.db2.gz GXMFSOCCLRCMFP-JTQLQIEISA-N -1 0 385.471 0.930 20 0 GCADRM O=C([O-])c1csc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000378207074 530835457 /nfs/dbraw/zinc/83/54/57/530835457.db2.gz QTEFITSKVXNSBG-LLVKDONJSA-N -1 0 394.496 0.635 20 0 GCADRM O=S(=O)([N-]c1ncccn1)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 ZINC000656365957 530835767 /nfs/dbraw/zinc/83/57/67/530835767.db2.gz RZOPFICHEKVYQV-NSHDSACASA-N -1 0 384.439 0.345 20 0 GCADRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CC[C@@H](F)C3)cc2)n1 ZINC000656365174 530835786 /nfs/dbraw/zinc/83/57/86/530835786.db2.gz HBCXYLOREKKAJG-SNVBAGLBSA-N -1 0 389.434 0.348 20 0 GCADRM CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccnnc2)cc1 ZINC000656365807 530835905 /nfs/dbraw/zinc/83/59/05/530835905.db2.gz LVIRDCNUFPEZRB-LLVKDONJSA-N -1 0 386.455 0.327 20 0 GCADRM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 ZINC000656365956 530835939 /nfs/dbraw/zinc/83/59/39/530835939.db2.gz RSLSALDULACAEE-NSHDSACASA-N -1 0 386.455 0.586 20 0 GCADRM CC(C)[C@H](CNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000655895247 530811678 /nfs/dbraw/zinc/81/16/78/530811678.db2.gz SQXZZYXJRQBHLY-MNOVXSKESA-N -1 0 378.472 0.539 20 0 GCADRM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1S(N)(=O)=O ZINC000641951102 530811763 /nfs/dbraw/zinc/81/17/63/530811763.db2.gz NDCWXZMBVSELIC-UHFFFAOYSA-N -1 0 389.411 0.180 20 0 GCADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)C(=O)[O-] ZINC000655896670 530811824 /nfs/dbraw/zinc/81/18/24/530811824.db2.gz NFUFOFVQEMVHLT-TZMCWYRMSA-N -1 0 375.491 0.847 20 0 GCADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)C(=O)[O-] ZINC000655896667 530811835 /nfs/dbraw/zinc/81/18/35/530811835.db2.gz NFUFOFVQEMVHLT-GXTWGEPZSA-N -1 0 375.491 0.847 20 0 GCADRM C[C@@](O)(C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1)C1CCC1 ZINC000487363075 530812655 /nfs/dbraw/zinc/81/26/55/530812655.db2.gz 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O=C([O-])CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000376692986 530817872 /nfs/dbraw/zinc/81/78/72/530817872.db2.gz CTBMEPZIRGMAKR-LLVKDONJSA-N -1 0 391.243 0.803 20 0 GCADRM O=C(NC1CC1)c1noc([C@H]2CCCN2S(=O)(=O)[N-]CC(F)(F)F)n1 ZINC000377113867 530822004 /nfs/dbraw/zinc/82/20/04/530822004.db2.gz ORXGNENZWWVYRR-MRVPVSSYSA-N -1 0 383.352 0.495 20 0 GCADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)[O-] ZINC000619855087 530823788 /nfs/dbraw/zinc/82/37/88/530823788.db2.gz OCUMWLOWOQKXIY-GXTWGEPZSA-N -1 0 380.463 0.100 20 0 GCADRM COC(=O)CCN(C)S(=O)(=O)N[C@@H](CC1CCCCC1)[C@H](O)C(=O)[O-] ZINC000619855088 530823995 /nfs/dbraw/zinc/82/39/95/530823995.db2.gz OCUMWLOWOQKXIY-JSGCOSHPSA-N -1 0 380.463 0.100 20 0 GCADRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)[C@@H]1CCC(=O)NC1 ZINC000490034638 530825987 /nfs/dbraw/zinc/82/59/87/530825987.db2.gz BETLKFNVSCLSAB-SECBINFHSA-N -1 0 381.439 0.804 20 0 GCADRM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1 ZINC000656163993 530826307 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ZINC000655899151 1184852613 /nfs/dbraw/zinc/85/26/13/1184852613.db2.gz ZKHZVDVFHWLHTN-KGLIPLIRSA-N -1 0 393.506 0.425 20 0 GCADRM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655934835 1184878049 /nfs/dbraw/zinc/87/80/49/1184878049.db2.gz RNIHPWXOPGDJMZ-LLVKDONJSA-N -1 0 381.454 0.551 20 0 GCADRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CCO1 ZINC000655938062 1184881400 /nfs/dbraw/zinc/88/14/00/1184881400.db2.gz LEXQZBMJWZUGQY-GFCCVEGCSA-N -1 0 378.772 0.776 20 0 GCADRM COc1cccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1OC ZINC000655939260 1184882264 /nfs/dbraw/zinc/88/22/64/1184882264.db2.gz FGXSRJBOKVKGJY-LLVKDONJSA-N -1 0 390.396 0.724 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)[O-] ZINC000655943463 1184883242 /nfs/dbraw/zinc/88/32/42/1184883242.db2.gz FLWSOOHKBQWLNE-CYBMUJFWSA-N -1 0 390.396 0.150 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C(=O)[O-] ZINC000655943527 1184883592 /nfs/dbraw/zinc/88/35/92/1184883592.db2.gz HRGJHKVRSWUBGO-CQSZACIVSA-N -1 0 397.453 0.638 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1)C(=O)[O-] ZINC000655944841 1184884876 /nfs/dbraw/zinc/88/48/76/1184884876.db2.gz VAJILYSHZJOWED-QGZVFWFLSA-N -1 0 391.468 0.973 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)[O-] ZINC000655943964 1184884927 /nfs/dbraw/zinc/88/49/27/1184884927.db2.gz QFSSMURYHCOJSD-HNNXBMFYSA-N -1 0 391.424 0.571 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000655945044 1184887339 /nfs/dbraw/zinc/88/73/39/1184887339.db2.gz DRKZRDBKFZNWDE-ZDUSSCGKSA-N -1 0 385.442 0.147 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)C(=O)[O-] ZINC000655945547 1184888392 /nfs/dbraw/zinc/88/83/92/1184888392.db2.gz SCNBVCALEZZFHM-LBPRGKRZSA-N -1 0 388.417 0.782 20 0 GCADRM Cc1ccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1N1CCNC1=O ZINC000655946133 1184888703 /nfs/dbraw/zinc/88/87/03/1184888703.db2.gz BXOQLSTVYYRTIB-ZDUSSCGKSA-N -1 0 376.413 0.936 20 0 GCADRM CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000655945144 1184888823 /nfs/dbraw/zinc/88/88/23/1184888823.db2.gz KCSHQRXEKNIAQX-LBPRGKRZSA-N -1 0 385.442 0.315 20 0 GCADRM COc1ccc(NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1-n1cnnn1 ZINC000655945107 1184889174 /nfs/dbraw/zinc/88/91/74/1184889174.db2.gz IIELYNLBZIDXSG-NSHDSACASA-N -1 0 376.373 0.082 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)[O-] ZINC000655948385 1184889573 /nfs/dbraw/zinc/88/95/73/1184889573.db2.gz WRXPYAATQWIFBI-AWEZNQCLSA-N -1 0 397.453 0.539 20 0 GCADRM COc1ccc(S(=O)(=O)[N-]c2nonc2C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000275677297 1184910359 /nfs/dbraw/zinc/91/03/59/1184910359.db2.gz GQZQAPZLMSPEHX-CQSZACIVSA-N -1 0 381.370 0.242 20 0 GCADRM C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(=O)[O-] ZINC000655977619 1184913184 /nfs/dbraw/zinc/91/31/84/1184913184.db2.gz JXWRKIAZRURQSR-CYBMUJFWSA-N -1 0 375.425 0.766 20 0 GCADRM C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)C(=O)[O-] ZINC000655977620 1184913383 /nfs/dbraw/zinc/91/33/83/1184913383.db2.gz JXWRKIAZRURQSR-ZDUSSCGKSA-N -1 0 375.425 0.766 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1)C(=O)[O-] ZINC000655977345 1184913548 /nfs/dbraw/zinc/91/35/48/1184913548.db2.gz FEZDETALHQECIB-CYBMUJFWSA-N -1 0 379.413 0.473 20 0 GCADRM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000655978649 1184914058 /nfs/dbraw/zinc/91/40/58/1184914058.db2.gz UMBCFLCKWQCFBI-GOEBONIOSA-N -1 0 377.441 0.321 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000655978190 1184914151 /nfs/dbraw/zinc/91/41/51/1184914151.db2.gz OSLYSNLWNXHJMC-GFCCVEGCSA-N -1 0 399.469 0.170 20 0 GCADRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ncn(CC(=O)N(C)C)n1 ZINC000610316253 1184914934 /nfs/dbraw/zinc/91/49/34/1184914934.db2.gz GEJHSAMWNUWBKX-UHFFFAOYSA-N -1 0 381.414 0.262 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1)C(=O)[O-] ZINC000655978235 1184914986 /nfs/dbraw/zinc/91/49/86/1184914986.db2.gz PITLDIZTDOFZIO-SJORKVTESA-N -1 0 391.468 0.649 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)C(=O)[O-] ZINC000655979683 1184915254 /nfs/dbraw/zinc/91/52/54/1184915254.db2.gz KMHCBHDSRHOMGP-CVEARBPZSA-N -1 0 389.452 0.939 20 0 GCADRM CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000655979377 1184915967 /nfs/dbraw/zinc/91/59/67/1184915967.db2.gz CGLZNKOCFXHWPU-OCCSQVGLSA-N -1 0 393.440 0.558 20 0 GCADRM COc1ccc(C(=O)NCCNC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655979806 1184916175 /nfs/dbraw/zinc/91/61/75/1184916175.db2.gz BDVBMZVQAACWHL-AWEZNQCLSA-N -1 0 379.413 0.014 20 0 GCADRM COc1ccc(-n2ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000655980770 1184916939 /nfs/dbraw/zinc/91/69/39/1184916939.db2.gz IQYDPIGDYDRUMK-MRXNPFEDSA-N -1 0 388.424 0.970 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C(=O)[O-] ZINC000655983033 1184919408 /nfs/dbraw/zinc/91/94/08/1184919408.db2.gz DLNHGBMLZBPZHE-HUUCEWRRSA-N -1 0 375.425 0.377 20 0 GCADRM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655983213 1184919485 /nfs/dbraw/zinc/91/94/85/1184919485.db2.gz IFFRJIYLOQTQLX-RISCZKNCSA-N -1 0 399.469 0.245 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000655982745 1184920131 /nfs/dbraw/zinc/92/01/31/1184920131.db2.gz YSUOYDYOFFZQLL-HNNXBMFYSA-N -1 0 375.425 0.903 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)C(=O)[O-] ZINC000655986690 1184920148 /nfs/dbraw/zinc/92/01/48/1184920148.db2.gz GTJBZLJMNWFGSD-HNNXBMFYSA-N -1 0 393.440 0.729 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NCCCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000655987408 1184921099 /nfs/dbraw/zinc/92/10/99/1184921099.db2.gz KZPJWXDVEVRZGM-ZDUSSCGKSA-N -1 0 391.424 0.391 20 0 GCADRM C[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000655987120 1184923349 /nfs/dbraw/zinc/92/33/49/1184923349.db2.gz JMCUMHNDRKEPPW-IIAWOOMASA-N -1 0 377.441 0.229 20 0 GCADRM C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000655987121 1184923649 /nfs/dbraw/zinc/92/36/49/1184923649.db2.gz JMCUMHNDRKEPPW-IJEWVQPXSA-N -1 0 377.441 0.229 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)[O-] ZINC000655993172 1184924331 /nfs/dbraw/zinc/92/43/31/1184924331.db2.gz FKVDHBVCDSTAQC-MNOVXSKESA-N -1 0 397.378 0.659 20 0 GCADRM Cc1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000655993193 1184924455 /nfs/dbraw/zinc/92/44/55/1184924455.db2.gz LDRCVNXBESYLGT-SECBINFHSA-N -1 0 379.804 0.682 20 0 GCADRM Cc1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000655993194 1184924481 /nfs/dbraw/zinc/92/44/81/1184924481.db2.gz LDRCVNXBESYLGT-VIFPVBQESA-N -1 0 379.804 0.682 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)C(=O)[O-] ZINC000655993174 1184924551 /nfs/dbraw/zinc/92/45/51/1184924551.db2.gz FKVDHBVCDSTAQC-WDEREUQCSA-N -1 0 397.378 0.659 20 0 GCADRM CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])[C@H](c1ccc(C)cc1)n1cncn1 ZINC000655992661 1184925344 /nfs/dbraw/zinc/92/53/44/1184925344.db2.gz DJEULCPEQUMVOJ-BPUTZDHNSA-N -1 0 387.440 0.908 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)C(=O)[O-] ZINC000655995667 1184926300 /nfs/dbraw/zinc/92/63/00/1184926300.db2.gz FNLREILUNBJQQD-CABCVRRESA-N -1 0 390.440 0.882 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)C(=O)[O-] ZINC000655995669 1184926401 /nfs/dbraw/zinc/92/64/01/1184926401.db2.gz FNLREILUNBJQQD-HUUCEWRRSA-N -1 0 390.440 0.882 20 0 GCADRM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC001670444644 1184926864 /nfs/dbraw/zinc/92/68/64/1184926864.db2.gz DMFUNGWFJHCKTG-OIAVYIFSSA-N -1 0 389.565 0.578 20 0 GCADRM CCC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000655999172 1184929195 /nfs/dbraw/zinc/92/91/95/1184929195.db2.gz ANAWPXKPVORAEP-AAEUAGOBSA-N -1 0 395.481 0.755 20 0 GCADRM Cc1cnc(OC2CCN(C(=O)C(=O)NC3CCC(C(=O)[O-])CC3)CC2)nc1 ZINC000655998257 1184930752 /nfs/dbraw/zinc/93/07/52/1184930752.db2.gz WFEOTJXKWUDIRI-UHFFFAOYSA-N -1 0 390.440 0.914 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N1CCN(c2ncnc3ccsc32)CC1)C(=O)[O-] ZINC000656004480 1184933241 /nfs/dbraw/zinc/93/32/41/1184933241.db2.gz HALBBLIFGBDZOG-JTQLQIEISA-N -1 0 377.426 0.177 20 0 GCADRM C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000656001326 1184933759 /nfs/dbraw/zinc/93/37/59/1184933759.db2.gz FAPMYTCKONFTDI-LLVKDONJSA-N -1 0 381.816 0.461 20 0 GCADRM COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656007899 1184934557 /nfs/dbraw/zinc/93/45/57/1184934557.db2.gz OHJGJFAPJLYWPR-CQSZACIVSA-N -1 0 382.461 0.485 20 0 GCADRM C[C@H](CNC(=O)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000656007269 1184934615 /nfs/dbraw/zinc/93/46/15/1184934615.db2.gz BGCYQDXDRGATHR-CYBMUJFWSA-N -1 0 375.425 0.587 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)C(=O)[O-] ZINC000656008310 1184934708 /nfs/dbraw/zinc/93/47/08/1184934708.db2.gz RYIMXANZSINCHC-JKSUJKDBSA-N -1 0 389.452 0.624 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC000656010339 1184941971 /nfs/dbraw/zinc/94/19/71/1184941971.db2.gz MKBPROQHGCMCJT-LVQVYYBASA-N -1 0 383.489 0.560 20 0 GCADRM CNC(=O)NC(=O)COC(=O)CSc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC000022164982 1184948179 /nfs/dbraw/zinc/94/81/79/1184948179.db2.gz GCKWEIYQYANKLT-UHFFFAOYSA-N -1 0 392.315 0.769 20 0 GCADRM C[C@@H](OC(=O)CSc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(=O)NC(N)=O ZINC000022165268 1184948244 /nfs/dbraw/zinc/94/82/44/1184948244.db2.gz QALHDNKMGUCYBB-RXMQYKEDSA-N -1 0 392.315 0.896 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(=O)[O-] ZINC000656012798 1184948663 /nfs/dbraw/zinc/94/86/63/1184948663.db2.gz IKYOKQDRNNNODH-KBPBESRZSA-N -1 0 383.489 0.860 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000656013307 1184949755 /nfs/dbraw/zinc/94/97/55/1184949755.db2.gz MUHMETFGQOYLJP-HNNXBMFYSA-N -1 0 393.415 0.583 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)C(=O)[O-] ZINC000656013964 1184950571 /nfs/dbraw/zinc/95/05/71/1184950571.db2.gz SSVSNNMUSHXKIJ-HNNXBMFYSA-N -1 0 389.452 0.505 20 0 GCADRM C[C@@H](NC(=O)C(=O)NCc1ccc(C(N)=O)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656014771 1184951125 /nfs/dbraw/zinc/95/11/25/1184951125.db2.gz MBLZUOYZNDHJEC-ADEWGFFLSA-N -1 0 376.413 0.048 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC000656014140 1184952750 /nfs/dbraw/zinc/95/27/50/1184952750.db2.gz RVTWIFLUXKJBSI-INIZCTEOSA-N -1 0 389.452 0.373 20 0 GCADRM CC(C)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)[C@@H](C)C1=O ZINC000656020720 1184957681 /nfs/dbraw/zinc/95/76/81/1184957681.db2.gz TZJMBLRAZHBKRI-CBBWQLFWSA-N -1 0 395.500 0.953 20 0 GCADRM CCn1nccc1CNC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001167338738 1184964423 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YPDMQLLJTPJKIT-NSHDSACASA-N -1 0 382.446 0.000 20 0 GCADRM CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)C1 ZINC000273670945 1194581933 /nfs/dbraw/zinc/58/19/33/1194581933.db2.gz JJOYRCOGXYFFQI-HNNXBMFYSA-N -1 0 381.498 0.788 20 0 GCADRM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000273673173 1194582276 /nfs/dbraw/zinc/58/22/76/1194582276.db2.gz GLKVBOJREYYZOR-CHWSQXEVSA-N -1 0 382.438 0.754 20 0 GCADRM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)[C@]12CCCO2 ZINC000273673007 1194582360 /nfs/dbraw/zinc/58/23/60/1194582360.db2.gz ZMTXFMZASBKDOC-XHBSWPGZSA-N -1 0 396.425 0.441 20 0 GCADRM CCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC)cc1C(=O)[O-] ZINC000273705388 1194584530 /nfs/dbraw/zinc/58/45/30/1194584530.db2.gz OHSYFXUCLQAQRQ-NSHDSACASA-N -1 0 389.382 0.167 20 0 GCADRM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273715990 1194585142 /nfs/dbraw/zinc/58/51/42/1194585142.db2.gz LTPYUPZXHVYNKO-GFCCVEGCSA-N -1 0 384.389 0.943 20 0 GCADRM NC(=O)C1CCN(S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)CC1 ZINC000273748375 1194587148 /nfs/dbraw/zinc/58/71/48/1194587148.db2.gz NCKCRHNKJNVTMM-UHFFFAOYSA-N -1 0 388.417 0.955 20 0 GCADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000273792666 1194589384 /nfs/dbraw/zinc/58/93/84/1194589384.db2.gz VOHBLGMSALADGR-UHFFFAOYSA-N -1 0 381.454 0.278 20 0 GCADRM CCc1c(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000422580023 1194670986 /nfs/dbraw/zinc/67/09/86/1194670986.db2.gz JDXAQDKNMZQHKC-JQWIXIFHSA-N -1 0 388.424 0.520 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000422594559 1194676464 /nfs/dbraw/zinc/67/64/64/1194676464.db2.gz WNXSEBYWVOHBQT-CHWSQXEVSA-N -1 0 380.445 0.993 20 0 GCADRM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000422641802 1194677217 /nfs/dbraw/zinc/67/72/17/1194677217.db2.gz FHFUCHCCFGBYIE-IUCAKERBSA-N -1 0 397.359 0.035 20 0 GCADRM COC[C@@]1(C(=O)OC)CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000422641489 1194677597 /nfs/dbraw/zinc/67/75/97/1194677597.db2.gz APTXRNCYWICWBP-GOSISDBHSA-N -1 0 378.381 0.290 20 0 GCADRM Nc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)n1 ZINC000422624820 1194677763 /nfs/dbraw/zinc/67/77/63/1194677763.db2.gz DNXILBXBZIXEJX-UHFFFAOYSA-N -1 0 394.388 0.245 20 0 GCADRM CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422623287 1194677836 /nfs/dbraw/zinc/67/78/36/1194677836.db2.gz ZVAJKNXFGLSCMR-NSHDSACASA-N -1 0 383.426 0.252 20 0 GCADRM CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000422633931 1194678602 /nfs/dbraw/zinc/67/86/02/1194678602.db2.gz KBGNPFIZFQAWIL-CQSZACIVSA-N -1 0 377.397 0.323 20 0 GCADRM O=C([O-])c1ccc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)c(F)c1 ZINC000422631875 1194678819 /nfs/dbraw/zinc/67/88/19/1194678819.db2.gz FSHPJJSYAIFWDI-VIFPVBQESA-N -1 0 396.293 0.597 20 0 GCADRM O=C([O-])c1ccccc1NC(=O)C(=O)N(CCO)CCOCC(F)(F)F ZINC000422636426 1194679752 /nfs/dbraw/zinc/67/97/52/1194679752.db2.gz PCPHCXJHPPMNRQ-UHFFFAOYSA-N -1 0 378.303 0.723 20 0 GCADRM O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000422636730 1194679850 /nfs/dbraw/zinc/67/98/50/1194679850.db2.gz POJUCLBEVJUIPV-UHFFFAOYSA-N -1 0 387.392 0.440 20 0 GCADRM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000422637477 1194680078 /nfs/dbraw/zinc/68/00/78/1194680078.db2.gz RJMWIYXGUCMZQG-STQMWFEESA-N -1 0 391.424 0.713 20 0 GCADRM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000422663086 1194680476 /nfs/dbraw/zinc/68/04/76/1194680476.db2.gz OUOJUBNPXFNEBK-AWEZNQCLSA-N -1 0 389.408 0.945 20 0 GCADRM COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)N(C)CCC(=O)[O-])c1 ZINC000422662658 1194680589 /nfs/dbraw/zinc/68/05/89/1194680589.db2.gz MYJXOLIZDAIENX-UHFFFAOYSA-N -1 0 377.397 0.945 20 0 GCADRM CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])C[C@H](C)S1(=O)=O ZINC000422644881 1194681044 /nfs/dbraw/zinc/68/10/44/1194681044.db2.gz NHELBTGEGXYAMX-WCQYABFASA-N -1 0 382.438 0.676 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1N1CCCC1=O ZINC000422663209 1194681055 /nfs/dbraw/zinc/68/10/55/1194681055.db2.gz PMLNXOUVDVPACU-HNNXBMFYSA-N -1 0 377.397 0.986 20 0 GCADRM CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CCN2C1=O ZINC000422642507 1194681168 /nfs/dbraw/zinc/68/11/68/1194681168.db2.gz GUADQFDPIGZSRZ-ZDUSSCGKSA-N -1 0 388.424 0.928 20 0 GCADRM CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000422643946 1194681197 /nfs/dbraw/zinc/68/11/97/1194681197.db2.gz LUFYPDZXAVYLQF-UHFFFAOYSA-N -1 0 399.469 0.979 20 0 GCADRM CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1F ZINC000422663296 1194681225 /nfs/dbraw/zinc/68/12/25/1194681225.db2.gz PQIZCJKVUDHHBW-LLVKDONJSA-N -1 0 389.405 0.288 20 0 GCADRM O=C([O-])c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)c(F)c1 ZINC000422642932 1194681301 /nfs/dbraw/zinc/68/13/01/1194681301.db2.gz HPIQIOGCUXANMD-LBPRGKRZSA-N -1 0 377.372 0.933 20 0 GCADRM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2)C1 ZINC000422648242 1194681507 /nfs/dbraw/zinc/68/15/07/1194681507.db2.gz BLFUYUCHLNUIOA-VXGBXAGGSA-N -1 0 397.453 0.493 20 0 GCADRM CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])[C@H](C)C1 ZINC000422645517 1194681645 /nfs/dbraw/zinc/68/16/45/1194681645.db2.gz PIKXERNMYQDSKO-GFCCVEGCSA-N -1 0 397.453 0.135 20 0 GCADRM CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)[O-])cc1F ZINC000422647387 1194681718 /nfs/dbraw/zinc/68/17/18/1194681718.db2.gz ARDBNDUAVHLGPR-SECBINFHSA-N -1 0 378.364 0.978 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])c(OCC(F)(F)F)c1 ZINC000422649008 1194681748 /nfs/dbraw/zinc/68/17/48/1194681748.db2.gz GRKAHOSQLYPAKE-UHFFFAOYSA-N -1 0 378.259 0.554 20 0 GCADRM Cc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000422652675 1194682006 /nfs/dbraw/zinc/68/20/06/1194682006.db2.gz WCWXZBHIPXSFPR-UHFFFAOYSA-N -1 0 397.453 0.699 20 0 GCADRM CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000422654238 1194682454 /nfs/dbraw/zinc/68/24/54/1194682454.db2.gz WIBLNEQXVPPIFF-GFCCVEGCSA-N -1 0 399.469 0.862 20 0 GCADRM COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000422657032 1194682505 /nfs/dbraw/zinc/68/25/05/1194682505.db2.gz GRCCAMRMORJNCW-HNNXBMFYSA-N -1 0 377.397 0.386 20 0 GCADRM CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000422655203 1194682516 /nfs/dbraw/zinc/68/25/16/1194682516.db2.gz YUMFBLXSRYGOTH-NWDGAFQWSA-N -1 0 399.469 0.822 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(=O)[O-] ZINC000422656644 1194682554 /nfs/dbraw/zinc/68/25/54/1194682554.db2.gz FESIJGNZNFKXBQ-OCCSQVGLSA-N -1 0 389.408 0.446 20 0 GCADRM CCc1c(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1Cc1ccc(F)cc1 ZINC000422656758 1194682616 /nfs/dbraw/zinc/68/26/16/1194682616.db2.gz YZZWSBHIROVRRK-LBPRGKRZSA-N -1 0 389.387 0.900 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C(=O)[O-] ZINC000422656044 1194682743 /nfs/dbraw/zinc/68/27/43/1194682743.db2.gz ATCKYCHMPSXUDW-AWEZNQCLSA-N -1 0 389.408 0.890 20 0 GCADRM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000422656255 1194682979 /nfs/dbraw/zinc/68/29/79/1194682979.db2.gz CFHJIKMXEIOCHG-GJZGRUSLSA-N -1 0 391.424 0.768 20 0 GCADRM CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000422658937 1194683016 /nfs/dbraw/zinc/68/30/16/1194683016.db2.gz FHPQRDIFUJQCLQ-CYBMUJFWSA-N -1 0 383.426 0.852 20 0 GCADRM COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC000422658942 1194683077 /nfs/dbraw/zinc/68/30/77/1194683077.db2.gz WIWBFOQUEOAIEB-HNNXBMFYSA-N -1 0 388.424 1.494 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000422657548 1194683129 /nfs/dbraw/zinc/68/31/29/1194683129.db2.gz ATZYIGBLKRRVGG-UONOGXRCSA-N -1 0 375.381 0.818 20 0 GCADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@H]3C(=O)[O-])cn2)C[C@@H](C)O1 ZINC000422657794 1194683165 /nfs/dbraw/zinc/68/31/65/1194683165.db2.gz BIYXUYIERTYJFJ-BZPMIXESSA-N -1 0 376.413 0.709 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000422658910 1194683182 /nfs/dbraw/zinc/68/31/82/1194683182.db2.gz WDRRSWFTQZKQDJ-UHFFFAOYSA-N -1 0 399.469 0.943 20 0 GCADRM COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679453 1194683317 /nfs/dbraw/zinc/68/33/17/1194683317.db2.gz UKXJUSQMCJJWIN-TZMCWYRMSA-N -1 0 395.387 0.599 20 0 GCADRM COCCOc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1 ZINC000422681216 1194683752 /nfs/dbraw/zinc/68/37/52/1194683752.db2.gz GNNSQWYAJORMHN-KPZWWZAWSA-N -1 0 377.397 0.759 20 0 GCADRM CC(C)(C)CC[C@H](NC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000422682712 1194683872 /nfs/dbraw/zinc/68/38/72/1194683872.db2.gz LFKWSGJRXLSYCH-LBPRGKRZSA-N -1 0 385.442 0.668 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000422684933 1194684143 /nfs/dbraw/zinc/68/41/43/1194684143.db2.gz FXNKGUXIDFHUMI-VHSXEESVSA-N -1 0 376.348 0.309 20 0 GCADRM CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000422683432 1194684195 /nfs/dbraw/zinc/68/41/95/1194684195.db2.gz MODXSNLXNHXYJP-DYZYQPBXSA-N -1 0 398.412 0.881 20 0 GCADRM CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000422687199 1194684295 /nfs/dbraw/zinc/68/42/95/1194684295.db2.gz VINBUUGLMRNWPI-ZDUSSCGKSA-N -1 0 399.469 0.929 20 0 GCADRM CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000422686600 1194684577 /nfs/dbraw/zinc/68/45/77/1194684577.db2.gz KKYABUQPTWJYMX-GFCCVEGCSA-N -1 0 399.469 0.883 20 0 GCADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000422664715 1194684700 /nfs/dbraw/zinc/68/47/00/1194684700.db2.gz XMIOQGORRROSEX-ZDUSSCGKSA-N -1 0 388.380 0.347 20 0 GCADRM CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2O1 ZINC000422664855 1194684935 /nfs/dbraw/zinc/68/49/35/1194684935.db2.gz UCQYNSGGTJBEGI-ZFWWWQNUSA-N -1 0 389.408 0.382 20 0 GCADRM COCCOc1ncccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000422664743 1194684939 /nfs/dbraw/zinc/68/49/39/1194684939.db2.gz XVWXZBSWTDSWGF-HNNXBMFYSA-N -1 0 387.392 0.857 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccnn1[C@H](C)CC(C)C)[C@@H](C)C(=O)[O-] ZINC000422667937 1194685025 /nfs/dbraw/zinc/68/50/25/1194685025.db2.gz BFEHFBCATMAWHV-OLZOCXBDSA-N -1 0 395.460 0.867 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000422665522 1194685076 /nfs/dbraw/zinc/68/50/76/1194685076.db2.gz YBZVFUHCTJSDQH-AWEZNQCLSA-N -1 0 385.376 0.707 20 0 GCADRM CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2O1 ZINC000422664854 1194685086 /nfs/dbraw/zinc/68/50/86/1194685086.db2.gz UCQYNSGGTJBEGI-UKRRQHHQSA-N -1 0 389.408 0.382 20 0 GCADRM COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422670031 1194685405 /nfs/dbraw/zinc/68/54/05/1194685405.db2.gz JGEWLMGLMYNYFZ-NSHDSACASA-N -1 0 393.396 0.158 20 0 GCADRM COc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000422667867 1194685427 /nfs/dbraw/zinc/68/54/27/1194685427.db2.gz AUMWCPFBSJDQGM-JTQLQIEISA-N -1 0 381.385 0.080 20 0 GCADRM COC(=O)c1c(C)cccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422667927 1194685483 /nfs/dbraw/zinc/68/54/83/1194685483.db2.gz BDRZGFAXFVJABW-NSHDSACASA-N -1 0 393.396 0.158 20 0 GCADRM COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000422668559 1194685503 /nfs/dbraw/zinc/68/55/03/1194685503.db2.gz DWSNXNXLLGBFKM-LLVKDONJSA-N -1 0 393.396 0.158 20 0 GCADRM COC(=O)c1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1C ZINC000422669035 1194685562 /nfs/dbraw/zinc/68/55/62/1194685562.db2.gz GPWTZTXXVORHQD-LLVKDONJSA-N -1 0 393.396 0.158 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1-n1cccn1)[C@@H](C)C(=O)[O-] ZINC000422670808 1194685730 /nfs/dbraw/zinc/68/57/30/1194685730.db2.gz LDFPJBWXKYAEDC-LBPRGKRZSA-N -1 0 387.396 0.249 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(Cl)c1N(C)C)[C@@H](C)C(=O)[O-] ZINC000422669373 1194685750 /nfs/dbraw/zinc/68/57/50/1194685750.db2.gz HJUOLILATJVUBP-JTQLQIEISA-N -1 0 398.847 0.782 20 0 GCADRM CCOC(=O)c1ccsc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422670626 1194685760 /nfs/dbraw/zinc/68/57/60/1194685760.db2.gz KVMPEMPRVQEJJB-SECBINFHSA-N -1 0 399.425 0.301 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C(=O)[O-] ZINC000422670607 1194685766 /nfs/dbraw/zinc/68/57/66/1194685766.db2.gz KUEXZFRNNVAMSW-ZDUSSCGKSA-N -1 0 385.442 0.434 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1F ZINC000422670865 1194685785 /nfs/dbraw/zinc/68/57/85/1194685785.db2.gz LLQBDTCELHDUON-JTQLQIEISA-N -1 0 383.376 0.601 20 0 GCADRM CCOC(=O)c1cccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC000422671286 1194685829 /nfs/dbraw/zinc/68/58/29/1194685829.db2.gz MTMHCHFHHMOQTJ-LLVKDONJSA-N -1 0 393.396 0.240 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc2c[nH]nc2cc1C)[C@H](C)C(=O)[O-] ZINC000422669176 1194685885 /nfs/dbraw/zinc/68/58/85/1194685885.db2.gz GWEDLCFITWYAPH-SNVBAGLBSA-N -1 0 375.385 0.248 20 0 GCADRM COc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc1SC ZINC000422669421 1194685920 /nfs/dbraw/zinc/68/59/20/1194685920.db2.gz HPBGCUPLSACEPS-JTQLQIEISA-N -1 0 397.453 0.793 20 0 GCADRM CCCCn1ncc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1C ZINC000422671333 1194686187 /nfs/dbraw/zinc/68/61/87/1194686187.db2.gz NABNTDNCGXODLA-LBPRGKRZSA-N -1 0 381.433 0.368 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)N(C)CC2)[C@@H](C)C(=O)[O-] ZINC000422671353 1194686201 /nfs/dbraw/zinc/68/62/01/1194686201.db2.gz NDLGNJATCXMAFP-NSHDSACASA-N -1 0 376.413 0.055 20 0 GCADRM COc1cc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c(C)c1C ZINC000422671990 1194686367 /nfs/dbraw/zinc/68/63/67/1194686367.db2.gz PFLBGXKROVWDIZ-ZDUSSCGKSA-N -1 0 393.440 0.997 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2scnc2c1)[C@H](C)C(=O)[O-] ZINC000422671733 1194686373 /nfs/dbraw/zinc/68/63/73/1194686373.db2.gz OIYDAGDRMHEQEW-SECBINFHSA-N -1 0 378.410 0.673 20 0 GCADRM COc1cc(SC)ccc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422673185 1194686556 /nfs/dbraw/zinc/68/65/56/1194686556.db2.gz SMLLJZIRSOJPTQ-JTQLQIEISA-N -1 0 397.453 0.793 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C)C(=O)[O-] ZINC000422674911 1194686559 /nfs/dbraw/zinc/68/65/59/1194686559.db2.gz XOTWOLUXIRGHBC-ZDUSSCGKSA-N -1 0 399.469 0.943 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1C[C@@H](C)Oc2ccccc21)[C@H](C)C(=O)[O-] ZINC000422673968 1194686586 /nfs/dbraw/zinc/68/65/86/1194686586.db2.gz VCQZPDRACWWEGP-VXGBXAGGSA-N -1 0 377.397 0.238 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000422673314 1194686679 /nfs/dbraw/zinc/68/66/79/1194686679.db2.gz SVNFIIUHKDTJJZ-LBPRGKRZSA-N -1 0 385.442 0.635 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccccc1N1CCCC1)[C@@H](C)C(=O)[O-] ZINC000422673749 1194686789 /nfs/dbraw/zinc/68/67/89/1194686789.db2.gz UKFVBVWJDVTZSW-ZDUSSCGKSA-N -1 0 390.440 0.663 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(C)c1 ZINC000422675926 1194687026 /nfs/dbraw/zinc/68/70/26/1194687026.db2.gz CNCXHDHFSDGCNO-GJZGRUSLSA-N -1 0 391.424 0.768 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1c(F)cc(Cl)cc1F)[C@H](C)C(=O)[O-] ZINC000422675174 1194687031 /nfs/dbraw/zinc/68/70/31/1194687031.db2.gz XYVCDFPMUJYMEB-SSDOTTSWSA-N -1 0 391.758 0.995 20 0 GCADRM CCCc1csc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)n1 ZINC000422674526 1194687200 /nfs/dbraw/zinc/68/72/00/1194687200.db2.gz AEYHVOXSGCNFRB-VXGBXAGGSA-N -1 0 396.469 0.860 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(N(C)C(C)C)c1)[C@@H](C)C(=O)[O-] ZINC000422675236 1194687416 /nfs/dbraw/zinc/68/74/16/1194687416.db2.gz YFSQLUKYNARISK-ZDUSSCGKSA-N -1 0 392.456 0.908 20 0 GCADRM CCCCn1nccc1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422676478 1194687445 /nfs/dbraw/zinc/68/74/45/1194687445.db2.gz DNDZQKSWYRLMJI-OCCSQVGLSA-N -1 0 393.444 0.448 20 0 GCADRM CCOc1ncccc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422676518 1194687502 /nfs/dbraw/zinc/68/75/02/1194687502.db2.gz DVXXDKWFFAFXTN-STQMWFEESA-N -1 0 392.412 0.245 20 0 GCADRM CCCCn1nccc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422676476 1194687519 /nfs/dbraw/zinc/68/75/19/1194687519.db2.gz DNDZQKSWYRLMJI-GXTWGEPZSA-N -1 0 393.444 0.448 20 0 GCADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1ccc3c(c1)S(=O)(=O)CC3)C2 ZINC000422676871 1194687605 /nfs/dbraw/zinc/68/76/05/1194687605.db2.gz AJMZQCVHLZQRJF-KPZWWZAWSA-N -1 0 392.433 0.668 20 0 GCADRM CCOC(=O)c1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cn1C ZINC000422677821 1194687872 /nfs/dbraw/zinc/68/78/72/1194687872.db2.gz NZEZZVDWTOKJMD-BBATYDOGSA-N -1 0 377.397 0.854 20 0 GCADRM COc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422677914 1194687881 /nfs/dbraw/zinc/68/78/81/1194687881.db2.gz LKXRSXFCTWHBON-SMDDNHRTSA-N -1 0 395.387 0.599 20 0 GCADRM Cc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000422677226 1194687925 /nfs/dbraw/zinc/68/79/25/1194687925.db2.gz HTNISTPZMPYTJU-UONOGXRCSA-N -1 0 379.388 0.899 20 0 GCADRM Cn1cnn(-c2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)cc2)c1=O ZINC000422677641 1194688038 /nfs/dbraw/zinc/68/80/38/1194688038.db2.gz KXBAVSXIHYLFGF-HXPMCKFVSA-N -1 0 399.407 0.223 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1=O ZINC000422679031 1194688055 /nfs/dbraw/zinc/68/80/55/1194688055.db2.gz RABPAPUJQODYFP-ZFWWWQNUSA-N -1 0 390.440 0.517 20 0 GCADRM COc1cccc(C)c1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422678048 1194688148 /nfs/dbraw/zinc/68/81/48/1194688148.db2.gz MAHSUWKKQKHEHN-IUODEOHRSA-N -1 0 391.424 0.768 20 0 GCADRM COc1cc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1F ZINC000422678760 1194688270 /nfs/dbraw/zinc/68/82/70/1194688270.db2.gz PJOWFFJBICPNHM-TZMCWYRMSA-N -1 0 395.387 0.599 20 0 GCADRM COc1cc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)ccc1F ZINC000422678758 1194688282 /nfs/dbraw/zinc/68/82/82/1194688282.db2.gz PJOWFFJBICPNHM-JSGCOSHPSA-N -1 0 395.387 0.599 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000422678512 1194688344 /nfs/dbraw/zinc/68/83/44/1194688344.db2.gz ODWMHYQGUWYYSI-JKSUJKDBSA-N -1 0 387.436 0.940 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2nc(C3CC3)cs2)C1=O ZINC000422678523 1194688377 /nfs/dbraw/zinc/68/83/77/1194688377.db2.gz OGKVQGSVNHWICT-PWSUYJOCSA-N -1 0 394.453 0.785 20 0 GCADRM CC(C)Cn1nccc1NC(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422679659 1194688602 /nfs/dbraw/zinc/68/86/02/1194688602.db2.gz VRSCGLBQSTXNOD-JSGCOSHPSA-N -1 0 393.444 0.304 20 0 GCADRM Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422679618 1194688732 /nfs/dbraw/zinc/68/87/32/1194688732.db2.gz VNFZNVDYTJJPHU-ZIAGYGMSSA-N -1 0 379.388 0.899 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cccc3cccnc32)C1=O ZINC000422680004 1194688747 /nfs/dbraw/zinc/68/87/47/1194688747.db2.gz XPABWEYFTWMJBB-HOCLYGCPSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000422680128 1194688751 /nfs/dbraw/zinc/68/87/51/1194688751.db2.gz YFCSSXONAKYYSH-DZGCQCFKSA-N -1 0 386.408 0.933 20 0 GCADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000422695488 1194689218 /nfs/dbraw/zinc/68/92/18/1194689218.db2.gz VPJNFUXMDYFSBN-AAEUAGOBSA-N -1 0 397.453 0.244 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000422697717 1194689245 /nfs/dbraw/zinc/68/92/45/1194689245.db2.gz VVFWKFPBWRQEKM-NWDGAFQWSA-N -1 0 395.843 0.755 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000422697176 1194689266 /nfs/dbraw/zinc/68/92/66/1194689266.db2.gz UDRNJOOGOIIYMO-WCQYABFASA-N -1 0 397.453 0.244 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000422695490 1194689273 /nfs/dbraw/zinc/68/92/73/1194689273.db2.gz VPJNFUXMDYFSBN-WCQYABFASA-N -1 0 397.453 0.244 20 0 GCADRM COc1cc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(OC)c1OC ZINC000422695824 1194689274 /nfs/dbraw/zinc/68/92/74/1194689274.db2.gz QFPRGJCBUAAEIP-WCQYABFASA-N -1 0 394.424 0.898 20 0 GCADRM COc1cc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000422695823 1194689297 /nfs/dbraw/zinc/68/92/97/1194689297.db2.gz QFPRGJCBUAAEIP-DGCLKSJQSA-N -1 0 394.424 0.898 20 0 GCADRM COc1ccc(C(=O)NCCNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000422699797 1194689693 /nfs/dbraw/zinc/68/96/93/1194689693.db2.gz BBSMOMXNRFCKNF-GXTWGEPZSA-N -1 0 391.424 0.110 20 0 GCADRM Cc1cc(N2CCC(NC(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)CC2)n[nH]1 ZINC000422700282 1194690023 /nfs/dbraw/zinc/69/00/23/1194690023.db2.gz GHODVCXBGORKMF-WCQYABFASA-N -1 0 377.445 0.372 20 0 GCADRM COC(=O)c1cccc(CCNC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422703142 1194690147 /nfs/dbraw/zinc/69/01/47/1194690147.db2.gz MDSGEIPJXUZFRD-DOMZBBRYSA-N -1 0 376.409 0.701 20 0 GCADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000422703990 1194690156 /nfs/dbraw/zinc/69/01/56/1194690156.db2.gz OKBJDUIVJIBPBL-MXWKQRLJSA-N -1 0 393.362 0.225 20 0 GCADRM C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C(=O)N1c1ccccc1 ZINC000422703680 1194690422 /nfs/dbraw/zinc/69/04/22/1194690422.db2.gz NTQHCQMQSOFCHX-ORIJERBGSA-N -1 0 387.436 0.866 20 0 GCADRM COC(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OC ZINC000422707170 1194690631 /nfs/dbraw/zinc/69/06/31/1194690631.db2.gz VVKFXIWREVYGES-WCQYABFASA-N -1 0 392.408 0.667 20 0 GCADRM COC(=O)c1ccc(CNC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OC ZINC000422707169 1194690647 /nfs/dbraw/zinc/69/06/47/1194690647.db2.gz VVKFXIWREVYGES-DGCLKSJQSA-N -1 0 392.408 0.667 20 0 GCADRM 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20 0 GCADRM CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000455800741 1197577436 /nfs/dbraw/zinc/57/74/36/1197577436.db2.gz UIIJWBMUPLCIPK-CAOSSQGBSA-N -1 0 392.456 0.807 20 0 GCADRM Cc1nc(C)c(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccn2)C3)c(=O)[nH]1 ZINC000999650121 1198959500 /nfs/dbraw/zinc/95/95/00/1198959500.db2.gz PJSMWIJVZBGPSO-SNPRPXQTSA-N -1 0 382.424 0.693 20 0 GCADRM COc1cc(OC)cc(C(=O)N2CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC2)c1 ZINC000655888189 1198968556 /nfs/dbraw/zinc/96/85/56/1198968556.db2.gz IOHKJDMOHDCCII-GFCCVEGCSA-N -1 0 379.413 0.892 20 0 GCADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655895253 1198987879 /nfs/dbraw/zinc/98/78/79/1198987879.db2.gz SUMPWYAPFGDXTA-ZIAGYGMSSA-N -1 0 391.490 0.179 20 0 GCADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C(=O)[O-] ZINC000655895252 1198988359 /nfs/dbraw/zinc/98/83/59/1198988359.db2.gz SUMPWYAPFGDXTA-UONOGXRCSA-N -1 0 391.490 0.179 20 0 GCADRM 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CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001573419786 948128408 /nfs/dbraw/zinc/12/84/08/948128408.db2.gz SFMZJXKDRBNJIS-SWLSCSKDSA-N -1 0 384.444 0.437 20 0 GCADRM O=C([O-])c1ncsc1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000328272871 971459282 /nfs/dbraw/zinc/45/92/82/971459282.db2.gz HGEVNPSWMMLMBF-UHFFFAOYSA-N -1 0 384.439 0.551 20 0 GCADRM C[C@H](C(=O)NCC(=O)c1ccc(Cl)cc1F)n1cnc(-c2nnn[n-]2)n1 ZINC001573677776 948141179 /nfs/dbraw/zinc/14/11/79/948141179.db2.gz DXMQMMWYROHLKT-SSDOTTSWSA-N -1 0 378.755 0.811 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@H]1CSC(c2ccccc2O)=N1)[C@@H](C)C(=O)[O-] ZINC001602752416 971457659 /nfs/dbraw/zinc/45/76/59/971457659.db2.gz CJXRIXNYCFETRQ-GWCFXTLKSA-N -1 0 379.438 0.692 20 0 GCADRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000328265382 971458091 /nfs/dbraw/zinc/45/80/91/971458091.db2.gz FVXJCIXHBPPTDF-ZETCQYMHSA-N -1 0 378.309 0.587 20 0 GCADRM CC(=O)NCCN(C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1)[C@H](C)C(=O)[O-] ZINC001602753169 971460739 /nfs/dbraw/zinc/46/07/39/971460739.db2.gz MRMCDIZJWLCZRW-YJYMSZOUSA-N -1 0 375.425 0.272 20 0 GCADRM CC(=O)NCCN(C(=O)c1cc(C(=O)[O-])nn1C)[C@@H](C)C(=O)OC(C)(C)C ZINC001602755741 971466134 /nfs/dbraw/zinc/46/61/34/971466134.db2.gz LEPQDPHEXIASGR-JTQLQIEISA-N -1 0 382.417 0.427 20 0 GCADRM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)C1CCC1 ZINC001573694443 948293533 /nfs/dbraw/zinc/29/35/33/948293533.db2.gz VQBBXZOTSTWXOC-SGTLLEGYSA-N -1 0 386.460 0.804 20 0 GCADRM C[C@@H](C(=O)NCC1(C)CCC2(CC1)OCCO2)n1cnc(-c2nnn[n-]2)n1 ZINC001573694416 948294614 /nfs/dbraw/zinc/29/46/14/948294614.db2.gz VJDGMBDLXTYPJK-NSHDSACASA-N -1 0 376.421 0.459 20 0 GCADRM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21)C(C)(F)F ZINC001573695891 948311671 /nfs/dbraw/zinc/31/16/71/948311671.db2.gz JFJFMXRNCKAAMO-XWLWVQCSSA-N -1 0 378.387 0.746 20 0 GCADRM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21)c1cccnc1 ZINC001573696186 948318816 /nfs/dbraw/zinc/31/88/16/948318816.db2.gz LVFUVFKLOBUVKG-NGFQHRJXSA-N -1 0 391.439 0.654 20 0 GCADRM CC(=O)NCCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H](C)C(=O)[O-] ZINC001602757474 971471709 /nfs/dbraw/zinc/47/17/09/971471709.db2.gz ILVMIWCIHXHAMW-SUMWQHHRSA-N -1 0 395.431 0.637 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573702016 948342405 /nfs/dbraw/zinc/34/24/05/948342405.db2.gz CNDZPCUQFWTMTM-OLZOCXBDSA-N -1 0 382.432 0.590 20 0 GCADRM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCCO1)C1CCC1 ZINC001573705062 948391453 /nfs/dbraw/zinc/39/14/53/948391453.db2.gz COKGEFAYKUXXEP-OCCSQVGLSA-N -1 0 386.460 0.804 20 0 GCADRM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1)n1cccn1 ZINC001573706252 948415348 /nfs/dbraw/zinc/41/53/48/948415348.db2.gz ZRXHQDAUQSYIJM-QWHCGFSZSA-N -1 0 382.432 0.447 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)C1CCCC1 ZINC001573706395 948418839 /nfs/dbraw/zinc/41/88/39/948418839.db2.gz IYHHAGLSSCAQTF-GXTWGEPZSA-N -1 0 386.460 0.804 20 0 GCADRM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCO1)n1cccc1 ZINC001573708101 948442653 /nfs/dbraw/zinc/44/26/53/948442653.db2.gz RPNIOPHGCQSZJY-CHWSQXEVSA-N -1 0 383.416 0.041 20 0 GCADRM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nnn[n-]3)n2)CC1)n1cccn1 ZINC001573708725 948457285 /nfs/dbraw/zinc/45/72/85/948457285.db2.gz XOFYXAHXZXMUDI-GFCCVEGCSA-N -1 0 382.432 0.235 20 0 GCADRM C[C@@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)c1ccc(F)cc1F ZINC001573716493 948499594 /nfs/dbraw/zinc/49/95/94/948499594.db2.gz GWCZMOPFZPHDDR-MRVPVSSYSA-N -1 0 391.338 0.327 20 0 GCADRM C[C@H](C(=O)NCCN(C)c1nc(-c2nnn[n-]2)c(Cl)s1)n1cncn1 ZINC001573717081 948504779 /nfs/dbraw/zinc/50/47/79/948504779.db2.gz BLYXBGPNSGGTKR-SSDOTTSWSA-N -1 0 382.841 0.382 20 0 GCADRM C[C@@H](C(=O)NCCN(C)c1nc(-c2nnn[n-]2)c(Cl)s1)n1cncn1 ZINC001573717083 948504977 /nfs/dbraw/zinc/50/49/77/948504977.db2.gz BLYXBGPNSGGTKR-ZETCQYMHSA-N -1 0 382.841 0.382 20 0 GCADRM C[C@H](C(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573721040 948537950 /nfs/dbraw/zinc/53/79/50/948537950.db2.gz VPGNYMHWWZXZPP-ZDUSSCGKSA-N -1 0 385.476 0.331 20 0 GCADRM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573736227 948613006 /nfs/dbraw/zinc/61/30/06/948613006.db2.gz JLDWULBECFDAEU-BFHYXJOUSA-N -1 0 381.444 0.981 20 0 GCADRM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573745699 948673362 /nfs/dbraw/zinc/67/33/62/948673362.db2.gz GVEAOANDSNJGHK-BBBLOLIVSA-N -1 0 377.409 0.191 20 0 GCADRM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573745700 948674564 /nfs/dbraw/zinc/67/45/64/948674564.db2.gz GVEAOANDSNJGHK-LPEHRKFASA-N -1 0 377.409 0.191 20 0 GCADRM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001573745917 948676184 /nfs/dbraw/zinc/67/61/84/948676184.db2.gz GVEAOANDSNJGHK-GUBZILKMSA-N -1 0 377.409 0.191 20 0 GCADRM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574914626 948750843 /nfs/dbraw/zinc/75/08/43/948750843.db2.gz LNJQZYUJSSMDOH-JTQLQIEISA-N -1 0 388.382 0.906 20 0 GCADRM CC(F)(F)C1(C(=O)NC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001575223269 948762033 /nfs/dbraw/zinc/76/20/33/948762033.db2.gz MMJMXZPLHBKKEV-SNVBAGLBSA-N -1 0 378.387 0.821 20 0 GCADRM CC(F)(F)C1(C(=O)N2CCC(Nc3ccnc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575223920 948774400 /nfs/dbraw/zinc/77/44/00/948774400.db2.gz PIKOYNZWZJGVAD-UHFFFAOYSA-N -1 0 378.387 0.917 20 0 GCADRM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224344 948784932 /nfs/dbraw/zinc/78/49/32/948784932.db2.gz UUARGDAKLPNOIW-JTQLQIEISA-N -1 0 378.387 0.774 20 0 GCADRM C[C@H](C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)n1cnc(-c2nnn[n-]2)n1 ZINC001573756043 948794753 /nfs/dbraw/zinc/79/47/53/948794753.db2.gz LMSATYYTEKKPBI-SSDOTTSWSA-N -1 0 380.365 0.201 20 0 GCADRM CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC(C(=O)[O-])C3)CC2)c1 ZINC001602774066 971508926 /nfs/dbraw/zinc/50/89/26/971508926.db2.gz SOAPRYJPQYHLNE-UHFFFAOYSA-N -1 0 394.449 0.833 20 0 GCADRM COc1ccccc1C[C@@H](CNC(=O)Cc1c(C)[nH]c2ccnn2c1=O)C(=O)[O-] ZINC000330363013 971513022 /nfs/dbraw/zinc/51/30/22/971513022.db2.gz HQILRQBRMYHPND-AWEZNQCLSA-N -1 0 398.419 0.942 20 0 GCADRM CC(F)(F)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)CCCO1 ZINC001575229179 948838203 /nfs/dbraw/zinc/83/82/03/948838203.db2.gz DHXFYBJHFWUGBG-SNVBAGLBSA-N -1 0 382.375 0.414 20 0 GCADRM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574424126 948846042 /nfs/dbraw/zinc/84/60/42/948846042.db2.gz FTKFWAJJEWNMHM-SNVBAGLBSA-N -1 0 388.457 0.466 20 0 GCADRM CC[C@H](NC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1)[C@@H](O)C(C)C ZINC001589564752 948846712 /nfs/dbraw/zinc/84/67/12/948846712.db2.gz KVEXAXVTCGCMSW-ZJNRKIDTSA-N -1 0 388.461 0.989 20 0 GCADRM CC[C@H](NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C(=O)NCc1cccs1 ZINC001589564710 948847113 /nfs/dbraw/zinc/84/71/13/948847113.db2.gz JTGVOZPPTMSKOV-STQMWFEESA-N -1 0 381.454 0.582 20 0 GCADRM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000331631319 971512603 /nfs/dbraw/zinc/51/26/03/971512603.db2.gz OMGZHYQFSVRPBX-FZKQIMNGSA-N -1 0 378.429 0.260 20 0 GCADRM C[C@H](CNC(=O)CCCc1cccnc1)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574918568 948850505 /nfs/dbraw/zinc/85/05/05/948850505.db2.gz NPSBGMMJHULIOM-ZDUSSCGKSA-N -1 0 381.444 0.661 20 0 GCADRM C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684380 948862430 /nfs/dbraw/zinc/86/24/30/948862430.db2.gz DZHWLTQWTMJMHS-RQJHMYQMSA-N -1 0 384.853 0.562 20 0 GCADRM C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684401 948866121 /nfs/dbraw/zinc/86/61/21/948866121.db2.gz FRQJWYSNINQIIE-RITPCOANSA-N -1 0 386.825 0.392 20 0 GCADRM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001573763156 948867464 /nfs/dbraw/zinc/86/74/64/948867464.db2.gz CBYDTMWAXBFHHG-CYBMUJFWSA-N -1 0 386.460 0.544 20 0 GCADRM C[C@@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)c1ncn(C)n1 ZINC001574684541 948872394 /nfs/dbraw/zinc/87/23/94/948872394.db2.gz IAVQEYTWLQXPQU-LURJTMIESA-N -1 0 382.841 0.726 20 0 GCADRM CC(C)c1nc([C@H](CO)NC(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)cs1 ZINC001574425487 948874197 /nfs/dbraw/zinc/87/41/97/948874197.db2.gz GBEMPWZJETZHSY-IUCAKERBSA-N -1 0 377.434 0.449 20 0 GCADRM CC(C)c1nc([C@@H](CO)NC(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)cs1 ZINC001574425488 948874567 /nfs/dbraw/zinc/87/45/67/948874567.db2.gz GBEMPWZJETZHSY-RKDXNWHRSA-N -1 0 377.434 0.449 20 0 GCADRM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001574083464 948888048 /nfs/dbraw/zinc/88/80/48/948888048.db2.gz TXQPYTWUPZDZPK-KRWDZBQOSA-N -1 0 387.444 0.324 20 0 GCADRM CC(C)c1nc(CCNS(=O)(=O)c2ccsc2-c2nnn[n-]2)n(C)n1 ZINC001574426883 948893818 /nfs/dbraw/zinc/89/38/18/948893818.db2.gz VKILBTVRFHNUJN-UHFFFAOYSA-N -1 0 382.475 0.701 20 0 GCADRM CC(F)(F)CC(=O)NC[C@H](O)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001575234229 948895575 /nfs/dbraw/zinc/89/55/75/948895575.db2.gz QBRVOTWBJOXQMR-YFKPBYRVSA-N -1 0 381.796 0.911 20 0 GCADRM C[C@H](CCNc1nc(-c2nnn[n-]2)c(Cl)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684914 948896179 /nfs/dbraw/zinc/89/61/79/948896179.db2.gz PDVWPFYEADJDSU-QYNIQEEDSA-N -1 0 384.853 0.405 20 0 GCADRM CC(C)(C(=O)N1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573765490 948914204 /nfs/dbraw/zinc/91/42/04/948914204.db2.gz KKIUAZKSTOXMFM-UHFFFAOYSA-N -1 0 379.428 0.678 20 0 GCADRM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001574089491 948955311 /nfs/dbraw/zinc/95/53/11/948955311.db2.gz HUEISKDCXLZJEM-UONOGXRCSA-N -1 0 385.476 0.187 20 0 GCADRM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574433387 948957268 /nfs/dbraw/zinc/95/72/68/948957268.db2.gz XPVQILREVYYHNS-NSHDSACASA-N -1 0 382.432 0.613 20 0 GCADRM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1O ZINC001575239593 948964652 /nfs/dbraw/zinc/96/46/52/948964652.db2.gz UYGSALHLVKMOGB-VHSXEESVSA-N -1 0 382.375 0.148 20 0 GCADRM CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001574433838 948966805 /nfs/dbraw/zinc/96/68/05/948966805.db2.gz SBEYJKWOYXQCLX-NSHDSACASA-N -1 0 382.432 0.522 20 0 GCADRM CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574433864 948967711 /nfs/dbraw/zinc/96/77/11/948967711.db2.gz UGEQSDRGZZRFHO-UHFFFAOYSA-N -1 0 384.448 0.722 20 0 GCADRM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574926085 948983257 /nfs/dbraw/zinc/98/32/57/948983257.db2.gz IAAKGRIEVIJMEZ-ZETCQYMHSA-N -1 0 384.853 0.516 20 0 GCADRM C[C@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[nH]n3)c[nH]1)O2 ZINC001575243138 948990201 /nfs/dbraw/zinc/99/02/01/948990201.db2.gz NKVXZDUENHBGEC-AAEUAGOBSA-N -1 0 377.424 0.906 20 0 GCADRM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C)o1 ZINC001574435042 948991826 /nfs/dbraw/zinc/99/18/26/948991826.db2.gz QOLBDKQKHNUDRB-GXFFZTMASA-N -1 0 385.432 0.952 20 0 GCADRM CC[C@H](OC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C(=O)[O-] ZINC001589578883 948994961 /nfs/dbraw/zinc/99/49/61/948994961.db2.gz STDUXGRROMZLDT-UONOGXRCSA-N -1 0 375.381 0.943 20 0 GCADRM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001573774052 948995866 /nfs/dbraw/zinc/99/58/66/948995866.db2.gz JIODCJOAOFAEDR-UHFFFAOYSA-N -1 0 386.460 0.592 20 0 GCADRM CC(C)c1noc(CCC(=O)NCCN(C)c2ccnc(-c3nnn[n-]3)n2)n1 ZINC001574439208 949001499 /nfs/dbraw/zinc/00/14/99/949001499.db2.gz CNBMKXGQACEQEV-UHFFFAOYSA-N -1 0 386.420 0.348 20 0 GCADRM C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574926602 949014115 /nfs/dbraw/zinc/01/41/15/949014115.db2.gz AOOJXCMESGYCOO-LBPRGKRZSA-N -1 0 379.428 0.058 20 0 GCADRM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574440111 949022588 /nfs/dbraw/zinc/02/25/88/949022588.db2.gz NSHLBMVHHYUQFS-SECBINFHSA-N -1 0 388.461 0.626 20 0 GCADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCCS1(=O)=O)CC3 ZINC000363079753 971537132 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DIPAQZDZOPGIRZ-SFHVURJKSA-N -1 0 380.397 0.411 20 0 GCADRM CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1=O ZINC001589901622 988612378 /nfs/dbraw/zinc/61/23/78/988612378.db2.gz VUAJTORMRFEPDH-TZMCWYRMSA-N -1 0 380.397 0.240 20 0 GCADRM CSc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c2ccccn21 ZINC001599827915 988626461 /nfs/dbraw/zinc/62/64/61/988626461.db2.gz SPABGWOJLSRIBE-SNVBAGLBSA-N -1 0 383.451 0.770 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001589920876 988657489 /nfs/dbraw/zinc/65/74/89/988657489.db2.gz QSQCFKQAIIDFPM-DGCLKSJQSA-N -1 0 383.445 0.824 20 0 GCADRM CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001589920919 988659082 /nfs/dbraw/zinc/65/90/82/988659082.db2.gz RSLYSIHSBBBTRG-MNOVXSKESA-N -1 0 390.458 0.342 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCC(O)(C(=O)[O-])CC3)CCC2)C1 ZINC001589928882 988681184 /nfs/dbraw/zinc/68/11/84/988681184.db2.gz MELXLODAHWQGKB-UHFFFAOYSA-N -1 0 398.456 0.577 20 0 GCADRM CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)CC2)C1 ZINC001589929039 988682391 /nfs/dbraw/zinc/68/23/91/988682391.db2.gz OSDXSHRKZIIQIU-KGLIPLIRSA-N -1 0 383.445 0.382 20 0 GCADRM CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)CCSCC(=O)[O-])CC2)C1 ZINC001589929280 988684713 /nfs/dbraw/zinc/68/47/13/988684713.db2.gz VLKBUJAVRMOTKX-UHFFFAOYSA-N -1 0 387.502 0.958 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cnncc1O)C[C@H]2C(=O)[O-] ZINC001589938623 988696213 /nfs/dbraw/zinc/69/62/13/988696213.db2.gz BDQJZJCNCNOBIA-NSHDSACASA-N -1 0 378.385 0.576 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)C1 ZINC001589938628 988696460 /nfs/dbraw/zinc/69/64/60/988696460.db2.gz BHGPZCIODSGGIX-LBPRGKRZSA-N -1 0 378.447 0.093 20 0 GCADRM CC(C)(C)OC(=O)N1CC(S(=O)(=O)NCc2ncc(C(=O)[O-])s2)C1 ZINC001589938856 988698601 /nfs/dbraw/zinc/69/86/01/988698601.db2.gz GQDFOYDGGJNZIH-UHFFFAOYSA-N -1 0 377.444 0.880 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)C[C@@H]2C(=O)[O-] ZINC001589939170 988702044 /nfs/dbraw/zinc/70/20/44/988702044.db2.gz MYDBZFJEDREFAV-VXGBXAGGSA-N -1 0 381.429 0.293 20 0 GCADRM CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)C1 ZINC001589939541 988704819 /nfs/dbraw/zinc/70/48/19/988704819.db2.gz BIBNZAUWTCNHIG-UHFFFAOYSA-N -1 0 380.401 0.406 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc[n+]([O-])cc1)C[C@H]2C(=O)[O-] ZINC001589939957 988709089 /nfs/dbraw/zinc/70/90/89/988709089.db2.gz YYACBCALRRVRQC-ZDUSSCGKSA-N -1 0 377.397 0.714 20 0 GCADRM CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC001589939913 988709186 /nfs/dbraw/zinc/70/91/86/988709186.db2.gz YQBVGAISRMWFDD-INIZCTEOSA-N -1 0 383.380 0.709 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C[C@@H]2C(=O)[O-] ZINC001589939940 988709276 /nfs/dbraw/zinc/70/92/76/988709276.db2.gz YXCLCXHKSCIVOY-IJLUTSLNSA-N -1 0 381.429 0.278 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H]1C(N)=O)C[C@H]2C(=O)[O-] ZINC001589939951 988709369 /nfs/dbraw/zinc/70/93/69/988709369.db2.gz YXCLCXHKSCIVOY-TUAOUCFPSA-N -1 0 381.429 0.278 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N(CCN2CCOCC2)CC(=O)[O-])C1 ZINC001589940447 988715587 /nfs/dbraw/zinc/71/55/87/988715587.db2.gz CEQZPGJRXSWLDF-CQSZACIVSA-N -1 0 397.472 0.489 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCO[C@H](CC(=O)[O-])C1)=NO2 ZINC001589941242 988722257 /nfs/dbraw/zinc/72/22/57/988722257.db2.gz IOUKNBJERSNZBL-LLVKDONJSA-N -1 0 383.401 0.454 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCOC[C@H]1CC(=O)[O-])OC2=O ZINC001589942508 988732384 /nfs/dbraw/zinc/73/23/84/988732384.db2.gz ZUSPZSPIFYPJPS-CHWSQXEVSA-N -1 0 384.429 0.715 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NOC[C@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001589947580 988736241 /nfs/dbraw/zinc/73/62/41/988736241.db2.gz GCSLYUVUXBAZPB-STQMWFEESA-N -1 0 399.444 0.918 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)NC[C@H]1CCOC1)C[C@H]2C(=O)[O-] ZINC001589948598 988741371 /nfs/dbraw/zinc/74/13/71/988741371.db2.gz OCCQAZDZIFIKSK-OLZOCXBDSA-N -1 0 383.445 0.986 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C[C@@H]1CCC(=O)NC1)C[C@@H]2C(=O)[O-] ZINC001589948984 988743564 /nfs/dbraw/zinc/74/35/64/988743564.db2.gz QTBWEZNYSGWIEM-QWHCGFSZSA-N -1 0 395.456 0.683 20 0 GCADRM CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(=O)[O-])C2)no1 ZINC001597666961 988748498 /nfs/dbraw/zinc/74/84/98/988748498.db2.gz GSEJLCHPBXQCDK-QWRGUYRKSA-N -1 0 389.416 0.328 20 0 GCADRM CCc1nc(CN2CCN(S(=O)(=O)C3CCC(C(=O)[O-])CC3)CC2)no1 ZINC001597669055 988757251 /nfs/dbraw/zinc/75/72/51/988757251.db2.gz RMUHSZOYWUJOBL-UHFFFAOYSA-N -1 0 386.474 0.723 20 0 GCADRM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C2 ZINC001589954951 988757379 /nfs/dbraw/zinc/75/73/79/988757379.db2.gz MCCVUBOZZDWPAV-FWHMADFJSA-N -1 0 395.456 0.968 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC001589954938 988757462 /nfs/dbraw/zinc/75/74/62/988757462.db2.gz LOHWWIQMMVVPFX-GTNSWQLSSA-N -1 0 388.392 0.274 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCc2ocnc2C(=O)[O-])C1 ZINC001589955424 988760146 /nfs/dbraw/zinc/76/01/46/988760146.db2.gz OZUHTFARBOUGHI-QGZVFWFLSA-N -1 0 399.375 0.965 20 0 GCADRM CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCOCC(=O)[O-])C1 ZINC001589956685 988766855 /nfs/dbraw/zinc/76/68/55/988766855.db2.gz WDHNDZIBBLUTRO-MRXNPFEDSA-N -1 0 376.381 0.179 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)N3CC(O)(C(=O)[O-])C3)C[C@@H]2C1 ZINC001589957377 988770001 /nfs/dbraw/zinc/77/00/01/988770001.db2.gz TXNFWBTVZZDVOM-YNEHKIRRSA-N -1 0 383.445 0.863 20 0 GCADRM CCc1nc(COc2ccc(C(=O)N3CC(=O)N(C)C[C@H]3C(=O)[O-])cc2)no1 ZINC001597673729 988776071 /nfs/dbraw/zinc/77/60/71/988776071.db2.gz GGPWYWALGXTTIM-ZDUSSCGKSA-N -1 0 388.380 0.578 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(O)(C(=O)[O-])C2)(n2cccn2)CC1 ZINC001589964257 988778713 /nfs/dbraw/zinc/77/87/13/988778713.db2.gz OWDWOEDTOHTFJO-UHFFFAOYSA-N -1 0 394.428 0.267 20 0 GCADRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001599839031 988792347 /nfs/dbraw/zinc/79/23/47/988792347.db2.gz LWGYOXCJUKLICU-UVBSCNOISA-N -1 0 396.465 0.128 20 0 GCADRM C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO)C(=O)[O-] ZINC001599841170 988833776 /nfs/dbraw/zinc/83/37/76/988833776.db2.gz OWKXXUHJWDLDCR-GHMZBOCLSA-N -1 0 390.483 0.877 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001589984829 988875858 /nfs/dbraw/zinc/87/58/58/988875858.db2.gz JJOJKYZOTBTDHC-GXTWGEPZSA-N -1 0 386.445 0.575 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@@H](O)C1 ZINC001589985166 988879886 /nfs/dbraw/zinc/87/98/86/988879886.db2.gz MMHWHUHIMOOEIA-NEPJUHHUSA-N -1 0 392.474 0.531 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001589985307 988880178 /nfs/dbraw/zinc/88/01/78/988880178.db2.gz NPQAFZUOHAESEB-SFHVURJKSA-N -1 0 396.444 0.850 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N[C@]2(CC(=O)[O-])CCOC2)CC1 ZINC001589985559 988883567 /nfs/dbraw/zinc/88/35/67/988883567.db2.gz RYROCMWPIPUVTH-KRWDZBQOSA-N -1 0 386.445 0.889 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])C1 ZINC001589985558 988883906 /nfs/dbraw/zinc/88/39/06/988883906.db2.gz RYECTYSFLCISQI-SJKOYZFVSA-N -1 0 382.417 0.284 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001589990587 988891598 /nfs/dbraw/zinc/89/15/98/988891598.db2.gz BQNAAGSJQCEXGB-NSHDSACASA-N -1 0 383.401 0.964 20 0 GCADRM CCc1nc2ccccc2n1CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001597695726 988897236 /nfs/dbraw/zinc/89/72/36/988897236.db2.gz LTOOWYSUVSPJQH-FZMZJTMJSA-N -1 0 399.407 0.205 20 0 GCADRM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NC[C@@](C)(O)C(=O)[O-])nn2)CC1 ZINC001589991754 988898668 /nfs/dbraw/zinc/89/86/68/988898668.db2.gz LGIIZQPJHNWKKR-QGZVFWFLSA-N -1 0 397.432 0.416 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001599843902 988900888 /nfs/dbraw/zinc/90/08/88/988900888.db2.gz QVFPBNAFKBPRPM-QKCSRTOESA-N -1 0 382.413 0.778 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N3CC[C@@](O)(C(=O)[O-])C3)=NO2)C1 ZINC001589993711 988908583 /nfs/dbraw/zinc/90/85/83/988908583.db2.gz FPUGTKKOXUHBSH-SJORKVTESA-N -1 0 383.401 0.190 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001589995841 988917448 /nfs/dbraw/zinc/91/74/48/988917448.db2.gz WKBJTOWHDSSJGD-SOZUMNATSA-N -1 0 381.429 0.435 20 0 GCADRM C[C@@H](O)[C@H](NC(=O)c1ccnc(Cl)c1I)C(=O)[O-] ZINC001599846003 988932882 /nfs/dbraw/zinc/93/28/82/988932882.db2.gz ONGGGCHRACEDGJ-FBCQKBJTSA-N -1 0 384.557 0.903 20 0 GCADRM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)NCC(=O)NCC(=O)[O-])C1 ZINC001590003670 988932901 /nfs/dbraw/zinc/93/29/01/988932901.db2.gz LLWVMICNFQPDPT-GFCCVEGCSA-N -1 0 383.445 0.731 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1 ZINC001590014490 988980464 /nfs/dbraw/zinc/98/04/64/988980464.db2.gz BYRFGAGBPBOMKN-JTQLQIEISA-N -1 0 383.405 0.786 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC001590014573 988980512 /nfs/dbraw/zinc/98/05/12/988980512.db2.gz DBPWRTOQXIBWNY-STQMWFEESA-N -1 0 399.444 0.204 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC001590015409 988986081 /nfs/dbraw/zinc/98/60/81/988986081.db2.gz LSESMTTZFJGJQA-FZKQIMNGSA-N -1 0 386.445 0.841 20 0 GCADRM CCc1nn(C)c(CC)c1S(=O)(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001597717926 988990875 /nfs/dbraw/zinc/99/08/75/988990875.db2.gz LTDFOZUMEQOPSQ-JTQLQIEISA-N -1 0 382.446 0.470 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cccs3)CC2)C[C@H]1CC(=O)[O-] ZINC001599849658 988991388 /nfs/dbraw/zinc/99/13/88/988991388.db2.gz DKEXJGLTAYRGDB-ZIAGYGMSSA-N -1 0 379.482 0.962 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001599849651 988991836 /nfs/dbraw/zinc/99/18/36/988991836.db2.gz DBLUQZHFDSXNDJ-RAIGVLPGSA-N -1 0 383.445 0.585 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N[C@@H](CO)C(=O)[O-])CCC2)C1 ZINC001590016397 988994511 /nfs/dbraw/zinc/99/45/11/988994511.db2.gz YQVYAIALRBYEJT-KPZWWZAWSA-N -1 0 386.445 0.480 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2[C@@H](O)c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599849927 988995826 /nfs/dbraw/zinc/99/58/26/988995826.db2.gz GQPBCHKKKGMWAF-OJLVUWQFSA-N -1 0 376.409 0.412 20 0 GCADRM CCc1nn(C)c(OC)c1CNC(=O)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001597718743 988996058 /nfs/dbraw/zinc/99/60/58/988996058.db2.gz UUKDSBCJHFTJNU-UHFFFAOYSA-N -1 0 380.426 0.683 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001590017745 988996908 /nfs/dbraw/zinc/99/69/08/988996908.db2.gz CPFGIWBISFKFMD-STQMWFEESA-N -1 0 399.444 0.204 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001599850251 988999123 /nfs/dbraw/zinc/99/91/23/988999123.db2.gz YSBONKSEUGWKPW-UKRRQHHQSA-N -1 0 385.420 0.179 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599850284 989000561 /nfs/dbraw/zinc/00/05/61/989000561.db2.gz KNTLYXMYIVXNOQ-LMCGPQHNSA-N -1 0 378.347 0.878 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599851137 989013963 /nfs/dbraw/zinc/01/39/63/989013963.db2.gz XBRSPOIVDUVQEC-BMFZPTHFSA-N -1 0 376.409 0.157 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599851179 989015606 /nfs/dbraw/zinc/01/56/06/989015606.db2.gz YCFHWHQXJVQHKR-DFBGVHRSSA-N -1 0 380.372 0.426 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001599851269 989016258 /nfs/dbraw/zinc/01/62/58/989016258.db2.gz QKHCDCCIBASBKL-RTXFEEFZSA-N -1 0 383.445 0.585 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001599851268 989016311 /nfs/dbraw/zinc/01/63/11/989016311.db2.gz QKHCDCCIBASBKL-RAIGVLPGSA-N -1 0 383.445 0.585 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N[C@@]3(C(=O)[O-])CCOC3)=NO2)C1 ZINC001590025713 989019065 /nfs/dbraw/zinc/01/90/65/989019065.db2.gz KMLAMIVMTBFVKX-MSOLQXFVSA-N -1 0 397.428 0.892 20 0 GCADRM CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N[C@](C)(CO)C(=O)[O-])=NO2)C1 ZINC001590025905 989021845 /nfs/dbraw/zinc/02/18/45/989021845.db2.gz NIQPREFNZWPGSV-IAGOWNOFSA-N -1 0 385.417 0.484 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)C[C@@H](C(=O)[O-])O1 ZINC001599851626 989022383 /nfs/dbraw/zinc/02/23/83/989022383.db2.gz FVLYZYWJHYZOSV-OCCSQVGLSA-N -1 0 376.413 0.711 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)C[C@H]1C(=O)[O-] ZINC001599851895 989026235 /nfs/dbraw/zinc/02/62/35/989026235.db2.gz WKRWVEIPEMBKPY-GHMZBOCLSA-N -1 0 380.401 0.342 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)C[C@@H]2CCCC(=O)N2)[C@@H](C(=O)[O-])C1 ZINC001590030973 989033354 /nfs/dbraw/zinc/03/33/54/989033354.db2.gz JOZBJISKMGENLZ-QWHCGFSZSA-N -1 0 383.445 0.968 20 0 GCADRM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H]1C(=O)[O-] ZINC001599852542 989035910 /nfs/dbraw/zinc/03/59/10/989035910.db2.gz YWYQGMAUESCKMU-BXUZGUMPSA-N -1 0 375.381 0.756 20 0 GCADRM CC(C)(C)OC(=O)N1CCCN(C(=O)CCCn2cncn2)[C@H](C(=O)[O-])C1 ZINC001590032166 989040078 /nfs/dbraw/zinc/04/00/78/989040078.db2.gz WADLBLSKIUUCJR-ZDUSSCGKSA-N -1 0 381.433 0.981 20 0 GCADRM C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1CC(=O)[O-] ZINC001599853763 989055118 /nfs/dbraw/zinc/05/51/18/989055118.db2.gz VKQPDCCXZRSSDT-BZUAXINKSA-N -1 0 381.473 0.269 20 0 GCADRM CCc1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCN1CCN(C(C)=O)CC1 ZINC001597733947 989060897 /nfs/dbraw/zinc/06/08/97/989060897.db2.gz MWDGCGIPWBJOFK-OAHLLOKOSA-N -1 0 378.477 0.306 20 0 GCADRM CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)Cn2cc(C(=O)[O-])cn2)C1 ZINC001590036477 989068205 /nfs/dbraw/zinc/06/82/05/989068205.db2.gz TXWCQLGGUNYAFS-CYBMUJFWSA-N -1 0 382.417 0.724 20 0 GCADRM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-])s1 ZINC001597735538 989078589 /nfs/dbraw/zinc/07/85/89/989078589.db2.gz SBGBHMDPNMEAMI-YIZRAAEISA-N -1 0 378.476 0.704 20 0 GCADRM CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001597735911 989082052 /nfs/dbraw/zinc/08/20/52/989082052.db2.gz VEFVGHHGYLPQRP-VPOLOUISSA-N -1 0 399.473 0.541 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ncc(C(=O)[O-])s2)C(=O)C1 ZINC001590053804 989086039 /nfs/dbraw/zinc/08/60/39/989086039.db2.gz CIRIJAFBKIXAGD-UHFFFAOYSA-N -1 0 398.441 0.537 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(CC(=O)NC2(CC(=O)[O-])CCOCC2)C(=O)C1 ZINC001590054192 989087628 /nfs/dbraw/zinc/08/76/28/989087628.db2.gz GDGAIPMLGDATHQ-UHFFFAOYSA-N -1 0 399.444 0.206 20 0 GCADRM C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)C[C@@H](C(=O)[O-])O1 ZINC001599856210 989092269 /nfs/dbraw/zinc/09/22/69/989092269.db2.gz AIZNVRRHLGKYHF-FMKPAKJESA-N -1 0 391.424 0.550 20 0 GCADRM C[C@@H]1CN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599856201 989092539 /nfs/dbraw/zinc/09/25/39/989092539.db2.gz WXDXINZPOJACPS-PVAVHDDUSA-N -1 0 377.441 0.943 20 0 GCADRM C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C[C@@H](C(=O)[O-])O1 ZINC001599856964 989104329 /nfs/dbraw/zinc/10/43/29/989104329.db2.gz HJXZXDIEGPBJQY-BREBYQMCSA-N -1 0 383.351 0.954 20 0 GCADRM C[C@@H]1CN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)C[C@@H](C(=O)[O-])O1 ZINC001599857151 989107371 /nfs/dbraw/zinc/10/73/71/989107371.db2.gz XMKQUDHHEQODTB-LNSDYSHSSA-N -1 0 390.396 0.125 20 0 GCADRM CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Oc2cnccc2C(=O)[O-])CC1 ZINC001590065515 989122186 /nfs/dbraw/zinc/12/21/86/989122186.db2.gz ULKXUTWAZYGPBH-UHFFFAOYSA-N -1 0 387.414 0.956 20 0 GCADRM CCc1noc(C[C@@]2(O)CCCN(CC(=O)Nc3cccc(C(=O)[O-])n3)C2)n1 ZINC001597747934 989126645 /nfs/dbraw/zinc/12/66/45/989126645.db2.gz DAWIYTIGPFJWRZ-SFHVURJKSA-N -1 0 389.412 0.733 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001590065964 989126590 /nfs/dbraw/zinc/12/65/90/989126590.db2.gz AVEQUFYOEKCVCQ-STQMWFEESA-N -1 0 387.433 0.507 20 0 GCADRM CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001590066550 989133434 /nfs/dbraw/zinc/13/34/34/989133434.db2.gz JCKLHRUSHZXDTG-AGIUHOORSA-N -1 0 387.433 0.099 20 0 GCADRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001590067337 989140460 /nfs/dbraw/zinc/14/04/60/989140460.db2.gz RXTYMWOUSVTRBO-LLVKDONJSA-N -1 0 378.447 0.407 20 0 GCADRM CCc1noc2ncc(S(=O)(=O)N3CC[C@H](C(=O)OC)C[C@H]3C(=O)[O-])cc12 ZINC001597754613 989160048 /nfs/dbraw/zinc/16/00/48/989160048.db2.gz MJYVUFWKDDEQHY-ZANVPECISA-N -1 0 397.409 0.812 20 0 GCADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CNc1ccnc(C(=O)[O-])n1 ZINC001599860628 989161528 /nfs/dbraw/zinc/16/15/28/989161528.db2.gz NQVXZINAZPUYCZ-FVCCEPFGSA-N -1 0 375.429 0.005 20 0 GCADRM CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC2(C(=O)[O-])CC2)C1 ZINC001590075168 989173504 /nfs/dbraw/zinc/17/35/04/989173504.db2.gz NOKQALRSHDBLTL-NSHDSACASA-N -1 0 390.458 0.392 20 0 GCADRM CCc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC(=O)[O-])CC2)n1 ZINC001597760937 989183289 /nfs/dbraw/zinc/18/32/89/989183289.db2.gz NDTBRZHLIQNKED-LLVKDONJSA-N -1 0 381.458 0.215 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC3(C(=O)[O-])CC(CO)C3)c2C1 ZINC001590082580 989185420 /nfs/dbraw/zinc/18/54/20/989185420.db2.gz JDQDIMCPQBZYMK-UHFFFAOYSA-N -1 0 394.428 0.658 20 0 GCADRM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCNC(=O)[C@@H]3CC(=O)[O-])CCC[C@H]12 ZINC001590082767 989186900 /nfs/dbraw/zinc/18/69/00/989186900.db2.gz MRLNCTLMSMIFJH-WTOJCKNJSA-N -1 0 395.456 0.968 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCC(=O)NCC(=O)[O-])sc2C1 ZINC001590084474 989193581 /nfs/dbraw/zinc/19/35/81/989193581.db2.gz ATVIGWHNDOMMJZ-UHFFFAOYSA-N -1 0 397.453 0.972 20 0 GCADRM C[C@@H]1CN(C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599863423 989205525 /nfs/dbraw/zinc/20/55/25/989205525.db2.gz CDGAVQJZASVFJT-INWMFGNUSA-N -1 0 375.425 0.702 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)C1 ZINC001590091173 989205836 /nfs/dbraw/zinc/20/58/36/989205836.db2.gz FFBZFPQGUOUVLK-ZYKCCNLVSA-N -1 0 398.456 0.554 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)C(=O)NCCCCC(=O)[O-])C[C@H]2C1 ZINC001590091264 989205919 /nfs/dbraw/zinc/20/59/19/989205919.db2.gz GFYUQBUADAXFMC-BETUJISGSA-N -1 0 383.445 0.683 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCCn2ccc(C(=O)[O-])n2)C1 ZINC001590091726 989211106 /nfs/dbraw/zinc/21/11/06/989211106.db2.gz VJDICUOPYPHDIS-GXTWGEPZSA-N -1 0 396.444 0.706 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C[C@H]2C1 ZINC001590091712 989211229 /nfs/dbraw/zinc/21/12/29/989211229.db2.gz UGIGIDHFCXNGRB-YIYPIFLZSA-N -1 0 383.445 0.984 20 0 GCADRM C[C@@H]1CN(C(=O)c2cnn(C)c2I)C[C@@H](C(=O)[O-])O1 ZINC001599864033 989213890 /nfs/dbraw/zinc/21/38/90/989213890.db2.gz KPXUGAHNHYSZSC-SVRRBLITSA-N -1 0 379.154 0.339 20 0 GCADRM CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(=O)NCC(=O)[O-])cc2C1 ZINC001590092519 989217902 /nfs/dbraw/zinc/21/79/02/989217902.db2.gz PUOYNTDXAVETLC-UHFFFAOYSA-N -1 0 397.453 0.972 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)C1 ZINC001590096800 989223522 /nfs/dbraw/zinc/22/35/22/989223522.db2.gz BMQBGRLEUURVBH-JDNHERCYSA-N -1 0 381.389 0.254 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CC[C@]4(CC(C(=O)[O-])=NO4)C3)[C@H]2C1 ZINC001590098866 989234769 /nfs/dbraw/zinc/23/47/69/989234769.db2.gz GNBCASDMOPVLGR-ZJONYGFMSA-N -1 0 379.413 0.931 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1cccnc1C(=O)[O-] ZINC001590099040 989236534 /nfs/dbraw/zinc/23/65/34/989236534.db2.gz LVBCNCFPJYHXQO-IAZYJMLFSA-N -1 0 383.426 0.923 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001590099915 989241742 /nfs/dbraw/zinc/24/17/42/989241742.db2.gz AKEOWQSHPGWWQN-VBHSOAQHSA-N -1 0 384.429 0.715 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccn3nnnc3c2)C[C@H]1C(=O)[O-] ZINC001590100368 989245147 /nfs/dbraw/zinc/24/51/47/989245147.db2.gz IQBUNQWJPQPJDG-MNOVXSKESA-N -1 0 377.357 0.744 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccn3nnnc3c2)C[C@@H]1C(=O)[O-] ZINC001590100367 989245237 /nfs/dbraw/zinc/24/52/37/989245237.db2.gz IQBUNQWJPQPJDG-GHMZBOCLSA-N -1 0 377.357 0.744 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CC2(CC(=O)[O-])CC2)[C@@H](O)C1 ZINC001590101025 989247979 /nfs/dbraw/zinc/24/79/79/989247979.db2.gz RBTPYYIFNWAUIB-MNOVXSKESA-N -1 0 378.447 0.141 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@H](OC(=O)C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(=O)[O-] ZINC001590101358 989250597 /nfs/dbraw/zinc/25/05/97/989250597.db2.gz WCEWIRYOCYPJHQ-UTUOFQBUSA-N -1 0 391.442 0.817 20 0 GCADRM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])s2)[C@@H](O)C1 ZINC001590101450 989251613 /nfs/dbraw/zinc/25/16/13/989251613.db2.gz ZWNJXDJIGUUKGS-BDAKNGLRSA-N -1 0 392.455 0.705 20 0 GCADRM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001590105559 989256658 /nfs/dbraw/zinc/25/66/58/989256658.db2.gz KHOICSGSXSKIKZ-LBPRGKRZSA-N -1 0 380.401 0.952 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001597779010 989265862 /nfs/dbraw/zinc/26/58/62/989265862.db2.gz KUONXIUIUGSYGS-NSHDSACASA-N -1 0 399.469 0.514 20 0 GCADRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N[C@@H](Cn1cncn1)C(=O)[O-])C2 ZINC001590107194 989268877 /nfs/dbraw/zinc/26/88/77/989268877.db2.gz JGXFOTZNMPRYQW-VOAKCMCISA-N -1 0 379.417 0.636 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-])C1CC1 ZINC001590111564 989288159 /nfs/dbraw/zinc/28/81/59/989288159.db2.gz CLUSWDWDDLFWLI-CHWSQXEVSA-N -1 0 383.445 0.872 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])C(F)F ZINC001590113442 989297412 /nfs/dbraw/zinc/29/74/12/989297412.db2.gz RYOPNDXLWRACPN-RKDXNWHRSA-N -1 0 379.360 0.337 20 0 GCADRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC001597785140 989300381 /nfs/dbraw/zinc/30/03/81/989300381.db2.gz XYESQDYDDDGXSL-UWVGGRQHSA-N -1 0 394.471 0.536 20 0 GCADRM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)C[C@@H](C(=O)[O-])O1 ZINC001599867885 989300685 /nfs/dbraw/zinc/30/06/85/989300685.db2.gz ZRWXQCQYYWEROM-MCIONIFRSA-N -1 0 377.459 0.466 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)NCCC(=O)NCCC(=O)[O-])C(F)F ZINC001590115531 989305118 /nfs/dbraw/zinc/30/51/18/989305118.db2.gz FAHAJHFPJJLHMF-SECBINFHSA-N -1 0 381.376 0.632 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCC(=O)NCCC(=O)[O-])C(F)F ZINC001590115535 989306558 /nfs/dbraw/zinc/30/65/58/989306558.db2.gz FAHAJHFPJJLHMF-VIFPVBQESA-N -1 0 381.376 0.632 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3cn(C)nn3)n2C[C@H]2CCCCO2)C[C@H]1C(=O)[O-] ZINC001599869136 989321036 /nfs/dbraw/zinc/32/10/36/989321036.db2.gz GZBKBTKNFIOTCY-JHJVBQTASA-N -1 0 375.433 0.800 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001590117548 989323117 /nfs/dbraw/zinc/32/31/17/989323117.db2.gz RKXSJNXITBPWEK-VHSXEESVSA-N -1 0 393.387 0.727 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001590117459 989323180 /nfs/dbraw/zinc/32/31/80/989323180.db2.gz MGTKJZHCWLEIRK-ZIAGYGMSSA-N -1 0 385.461 0.678 20 0 GCADRM CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H](Cn1cncn1)C(=O)[O-])C(F)F ZINC001590117758 989324707 /nfs/dbraw/zinc/32/47/07/989324707.db2.gz RXRHAEPUEBSORA-RKDXNWHRSA-N -1 0 377.348 0.396 20 0 GCADRM C[C@@H]1CN(c2nnc(C3(CO)CCC3)n2C[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599869964 989332683 /nfs/dbraw/zinc/33/26/83/989332683.db2.gz JWEQJMQMHMMFSJ-MCIONIFRSA-N -1 0 380.445 0.407 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3ccnn3C)n2C[C@H]2CCOC2)C[C@@H](C(=O)[O-])O1 ZINC001599870048 989334088 /nfs/dbraw/zinc/33/40/88/989334088.db2.gz UXWXRZHFNLCDPI-BZPMIXESSA-N -1 0 376.417 0.393 20 0 GCADRM C[C@@H]1CN(c2nnc(-c3cc[nH]n3)n2C[C@H]2CCCCO2)C[C@@H](C(=O)[O-])O1 ZINC001599870059 989335138 /nfs/dbraw/zinc/33/51/38/989335138.db2.gz VDQNAZXPNPKRPL-BZPMIXESSA-N -1 0 376.417 0.916 20 0 GCADRM C[C@@H]1CN(c2nnc([C@@H]3C[C@H](O)CN3C)n2C[C@H]2CCOC2)C[C@H]1C(=O)[O-] ZINC001599870443 989340875 /nfs/dbraw/zinc/34/08/75/989340875.db2.gz SAZWDUGFNUKEIJ-QMIVOQANSA-N -1 0 379.461 0.209 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)C1CC1 ZINC001590124050 989344958 /nfs/dbraw/zinc/34/49/58/989344958.db2.gz DHYBMXCNHVJAFA-STQMWFEESA-N -1 0 383.445 0.729 20 0 GCADRM C[C@@H]1CN(c2nnnn2Cc2c(Br)cnn2C)C[C@H]1CC(=O)[O-] ZINC001599871576 989358113 /nfs/dbraw/zinc/35/81/13/989358113.db2.gz NBKZETQTWGVMOV-RKDXNWHRSA-N -1 0 384.238 0.764 20 0 GCADRM CC(C)(C)OC(=O)NC1(CC(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)COC1 ZINC001590127721 989372639 /nfs/dbraw/zinc/37/26/39/989372639.db2.gz NVONJQTWYUOELR-UHFFFAOYSA-N -1 0 397.428 0.892 20 0 GCADRM CC(C)(C)OC(=O)NC1(CNS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001590133459 989379550 /nfs/dbraw/zinc/37/95/50/989379550.db2.gz JMVHQIGKOKHERL-TXEJJXNPSA-N -1 0 392.474 0.843 20 0 GCADRM C[C@@H]1C[C@H](C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)O[C@H]1C(=O)[O-] ZINC001599873344 989384227 /nfs/dbraw/zinc/38/42/27/989384227.db2.gz ARQUZFSJNNPKGY-IARIHHJXSA-N -1 0 376.409 0.661 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])C1(C)C ZINC001590137588 989386329 /nfs/dbraw/zinc/38/63/29/989386329.db2.gz BFDITBZEBPQUSD-SDDRHHMPSA-N -1 0 381.433 0.787 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc(C(=O)[O-])nn1)C2 ZINC001590137914 989389913 /nfs/dbraw/zinc/38/99/13/989389913.db2.gz BBVLAZLLVYMXQC-TUAOUCFPSA-N -1 0 379.417 0.881 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])C1 ZINC001590138305 989392605 /nfs/dbraw/zinc/39/26/05/989392605.db2.gz FEQGGRYGAMEIIW-NEPJUHHUSA-N -1 0 388.442 0.310 20 0 GCADRM C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)O[C@H]1C(=O)[O-] ZINC001599874906 989406489 /nfs/dbraw/zinc/40/64/89/989406489.db2.gz COBOVFUYIJVICS-DAXOMENPSA-N -1 0 376.409 0.653 20 0 GCADRM C[C@@H]1C[C@H](C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)O[C@H]1C(=O)[O-] ZINC001599875125 989408129 /nfs/dbraw/zinc/40/81/29/989408129.db2.gz YONDPKIXROYDOH-QGPMSJSTSA-N -1 0 389.452 0.325 20 0 GCADRM C[C@@H]1C[C@H](C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)O[C@H]1C(=O)[O-] ZINC001599875506 989413113 /nfs/dbraw/zinc/41/31/13/989413113.db2.gz TZTUGMCIHKCAPX-NZHONMPCSA-N -1 0 379.335 0.555 20 0 GCADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)O[C@H]1C(=O)[O-] ZINC001599875809 989417045 /nfs/dbraw/zinc/41/70/45/989417045.db2.gz KIPRCOKXCPUXCF-SRCQZFHVSA-N -1 0 391.424 0.774 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)C1 ZINC001590146440 989417340 /nfs/dbraw/zinc/41/73/40/989417340.db2.gz AKVAJBSPTYCYQI-OFEPTWOUSA-N -1 0 386.445 0.743 20 0 GCADRM C[C@@H]1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)O[C@H]1C(=O)[O-] ZINC001599875840 989418087 /nfs/dbraw/zinc/41/80/87/989418087.db2.gz MNVFAKUKZJCYJG-MPKXVKKWSA-N -1 0 383.426 0.683 20 0 GCADRM C[C@@H]1C[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)O[C@H]1C(=O)[O-] ZINC001599876099 989421297 /nfs/dbraw/zinc/42/12/97/989421297.db2.gz YORXWXVNKCKJBM-VCTAVGKDSA-N -1 0 398.437 0.993 20 0 GCADRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@H](Cn1cncn1)C(=O)[O-] ZINC001590148165 989437960 /nfs/dbraw/zinc/43/79/60/989437960.db2.gz OBBCKZYQMVTIAW-JHJVBQTASA-N -1 0 381.433 0.931 20 0 GCADRM CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC001590154747 989461799 /nfs/dbraw/zinc/46/17/99/989461799.db2.gz SSLHFTCKOQRUMQ-QWHCGFSZSA-N -1 0 383.445 0.729 20 0 GCADRM CCn1c(-c2cc(Br)nn2C)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001597820941 989462121 /nfs/dbraw/zinc/46/21/21/989462121.db2.gz UDLFZLLQKTWZCP-VIFPVBQESA-N -1 0 385.222 0.751 20 0 GCADRM CCn1c(-c2cc(Br)nn2C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597820939 989462288 /nfs/dbraw/zinc/46/22/88/989462288.db2.gz UDLFZLLQKTWZCP-SECBINFHSA-N -1 0 385.222 0.751 20 0 GCADRM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001590161734 989465988 /nfs/dbraw/zinc/46/59/88/989465988.db2.gz DJUHQJXDTLERGV-KGLIPLIRSA-N -1 0 381.429 0.717 20 0 GCADRM C[C@@H]1C[C@H](CO)CCN1C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001599879684 989467445 /nfs/dbraw/zinc/46/74/45/989467445.db2.gz BEALEFHUAKSVFZ-VXGBXAGGSA-N -1 0 377.397 0.059 20 0 GCADRM CCn1c(-c2nn(C)cc2Br)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001597828830 989493321 /nfs/dbraw/zinc/49/33/21/989493321.db2.gz KGWJPQDJBSAENH-SECBINFHSA-N -1 0 385.222 0.751 20 0 GCADRM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001599882373 989502227 /nfs/dbraw/zinc/50/22/27/989502227.db2.gz SNGLNSWEAKRRHC-DOLQZWNJSA-N -1 0 379.335 0.024 20 0 GCADRM CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@](O)(C(=O)[O-])C3)cc(C(C)C)nc21 ZINC001597831784 989502580 /nfs/dbraw/zinc/50/25/80/989502580.db2.gz IQABAZDZSUJJLG-GOSISDBHSA-N -1 0 390.396 0.302 20 0 GCADRM CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)C2(C(=O)[O-])CCC2)CCO1 ZINC001590176832 989510595 /nfs/dbraw/zinc/51/05/95/989510595.db2.gz LPTSSXMHOVMBAY-LLVKDONJSA-N -1 0 378.447 0.549 20 0 GCADRM CCn1c(=O)[nH]c2ccc(C(=O)NC3(CC(=O)[O-])CCS(=O)(=O)CC3)cc21 ZINC001597834926 989510557 /nfs/dbraw/zinc/51/05/57/989510557.db2.gz AQSZKVWXITZXFU-UHFFFAOYSA-N -1 0 395.437 0.914 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@H](NC(=O)N1CC[C@](O)(C(=O)[O-])C1)C(F)F ZINC001590177183 989513688 /nfs/dbraw/zinc/51/36/88/989513688.db2.gz HHLRRAZEXLATCB-BJOHPYRUSA-N -1 0 381.376 0.766 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)N1CC[C@@](O)(C(=O)[O-])C1)C(F)F ZINC001590177185 989513929 /nfs/dbraw/zinc/51/39/29/989513929.db2.gz HHLRRAZEXLATCB-PSLIRLAXSA-N -1 0 381.376 0.766 20 0 GCADRM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)N1CC[C@](O)(C(=O)[O-])C1)C(F)F ZINC001590177187 989514073 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COC(=O)[C@@H]1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)[C@@H](C(=O)[O-])C1 ZINC001598800345 996134169 /nfs/dbraw/zinc/13/41/69/996134169.db2.gz TZRWHSJJRVHCEJ-FRRDWIJNSA-N -1 0 399.421 0.494 20 0 GCADRM COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)[C@H](C(=O)OC)C1 ZINC001598800511 996135528 /nfs/dbraw/zinc/13/55/28/996135528.db2.gz UTKNRNQVVLOHBY-JSGCOSHPSA-N -1 0 399.421 0.429 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001598801179 996139847 /nfs/dbraw/zinc/13/98/47/996139847.db2.gz YDBSHCZDEUMVFC-DGCLKSJQSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c2ccccc2O1 ZINC001598801930 996145470 /nfs/dbraw/zinc/14/54/70/996145470.db2.gz ACHNPDHFPXQWAE-SUNKGSAMSA-N -1 0 376.365 0.275 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Cc3cccs3)C2)C[C@H]1C(=O)[O-] ZINC001598802272 996149092 /nfs/dbraw/zinc/14/90/92/996149092.db2.gz CDUXXGQXMATETR-OLZOCXBDSA-N -1 0 380.422 0.081 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC001598802228 996149145 /nfs/dbraw/zinc/14/91/45/996149145.db2.gz BMXYLBWDPONDJH-NWDGAFQWSA-N -1 0 384.335 0.255 20 0 GCADRM COC(=O)[C@@H]1CCN(S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC001598802816 996155359 /nfs/dbraw/zinc/15/53/59/996155359.db2.gz IWSYAFGJTRFJRS-JHJVBQTASA-N -1 0 377.459 0.860 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001598803121 996158281 /nfs/dbraw/zinc/15/82/81/996158281.db2.gz IVGSCRFLLUOGKW-LERXQTSPSA-N -1 0 380.372 0.677 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001598803122 996158354 /nfs/dbraw/zinc/15/83/54/996158354.db2.gz IVGSCRFLLUOGKW-LEWSCRJBSA-N -1 0 380.372 0.677 20 0 GCADRM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593698849 996167102 /nfs/dbraw/zinc/16/71/02/996167102.db2.gz IHDRCLAJFGTINS-GFCCVEGCSA-N -1 0 399.469 0.774 20 0 GCADRM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593698852 996167187 /nfs/dbraw/zinc/16/71/87/996167187.db2.gz IHDRCLAJFGTINS-LBPRGKRZSA-N -1 0 399.469 0.774 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2c2ccsc2)C[C@H]1C(=O)[O-] ZINC001598804445 996170751 /nfs/dbraw/zinc/17/07/51/996170751.db2.gz WBXSIEOVGCYZKO-JHJVBQTASA-N -1 0 380.422 0.744 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C[C@@H]1C(=O)[O-] ZINC001598804498 996171524 /nfs/dbraw/zinc/17/15/24/996171524.db2.gz ANXYXARHKNZSGF-LEWSCRJBSA-N -1 0 378.356 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598804516 996171533 /nfs/dbraw/zinc/17/15/33/996171533.db2.gz AXNHNAZFKZZURP-FRRDWIJNSA-N -1 0 381.406 0.280 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001598804520 996171874 /nfs/dbraw/zinc/17/18/74/996171874.db2.gz AXNHNAZFKZZURP-YNEHKIRRSA-N -1 0 381.406 0.280 20 0 GCADRM COC(=O)[C@H]1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC001598804980 996176686 /nfs/dbraw/zinc/17/66/86/996176686.db2.gz VGTAJRWABPKLOL-DZGCQCFKSA-N -1 0 384.454 0.775 20 0 GCADRM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001593702885 996177742 /nfs/dbraw/zinc/17/77/42/996177742.db2.gz GQJAFTBRBLFNES-JTQLQIEISA-N -1 0 378.472 0.767 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001598805355 996180548 /nfs/dbraw/zinc/18/05/48/996180548.db2.gz BLHNAXSMNFRDOW-IJLUTSLNSA-N -1 0 387.433 0.662 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)C[C@H]1C(=O)[O-] ZINC001598805477 996181795 /nfs/dbraw/zinc/18/17/95/996181795.db2.gz CSYITMXOMWKKNR-RRKCRQDMSA-N -1 0 380.279 0.665 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCC2CCC(S(C)(=O)=O)CC2)C[C@H]1C(=O)[O-] ZINC001598805773 996184761 /nfs/dbraw/zinc/18/47/61/996184761.db2.gz ANXSBNCYDJMSLI-TUUUFIMRSA-N -1 0 390.458 0.105 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598806164 996188868 /nfs/dbraw/zinc/18/88/68/996188868.db2.gz BVPCNQGYOWBYNW-QWHCGFSZSA-N -1 0 380.397 0.762 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598806149 996189060 /nfs/dbraw/zinc/18/90/60/996189060.db2.gz BQZBTENNQYAGDE-NKWVEPMBSA-N -1 0 378.250 0.673 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C(=O)[O-] ZINC001598806244 996189506 /nfs/dbraw/zinc/18/95/06/996189506.db2.gz FYUMCZJEUOIPBF-BZUAXINKSA-N -1 0 393.440 0.813 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCN2CCCc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598806491 996192106 /nfs/dbraw/zinc/19/21/06/996192106.db2.gz DEAKNQGUSDWJED-GJZGRUSLSA-N -1 0 375.425 0.954 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCCn2nc(C(F)(F)F)cc2C)C[C@H]1C(=O)[O-] ZINC001598806845 996195661 /nfs/dbraw/zinc/19/56/61/996195661.db2.gz GEITVESUGKANFK-ZJUUUORDSA-N -1 0 392.334 0.726 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Cn2cccc(C(=O)[O-])c2=O)c2ccc(F)cc2O1 ZINC001598806915 996196197 /nfs/dbraw/zinc/19/61/97/996196197.db2.gz IOTXQRAVPQKADL-AWEZNQCLSA-N -1 0 390.323 0.653 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C[C@H]1C(=O)[O-] ZINC001598807593 996201542 /nfs/dbraw/zinc/20/15/42/996201542.db2.gz LBKLLPXDHNDZDL-JHJVBQTASA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)C[C@H]1C(=O)[O-] ZINC001598808033 996205772 /nfs/dbraw/zinc/20/57/72/996205772.db2.gz KLFJAJHRDKJCGY-XCXMYDMUSA-N -1 0 384.429 0.474 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC001598808282 996207455 /nfs/dbraw/zinc/20/74/55/996207455.db2.gz DORYQTSCTDNZQS-QWHCGFSZSA-N -1 0 391.376 0.753 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001598808349 996208248 /nfs/dbraw/zinc/20/82/48/996208248.db2.gz NACJEYKHACPFDJ-QWHCGFSZSA-N -1 0 399.444 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](c2nccn2C)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001598808374 996208256 /nfs/dbraw/zinc/20/82/56/996208256.db2.gz NIZJJAHBWLQNTR-IWSPIJDZSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808625 996210680 /nfs/dbraw/zinc/21/06/80/996210680.db2.gz FQNKNXVFOHLTLT-KGLIPLIRSA-N -1 0 383.422 0.491 20 0 GCADRM C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC001593711185 996211442 /nfs/dbraw/zinc/21/14/42/996211442.db2.gz QXLCUELRPMVHHF-GFCCVEGCSA-N -1 0 387.392 0.862 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)C[C@H]1C(=O)[O-] ZINC001598808967 996213641 /nfs/dbraw/zinc/21/36/41/996213641.db2.gz QKNGYRIOXACAKS-OAGGEKHMSA-N -1 0 388.420 0.818 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)c2ccccc2O1 ZINC001598808995 996213867 /nfs/dbraw/zinc/21/38/67/996213867.db2.gz GMTJFCFKZGFPIE-RISCZKNCSA-N -1 0 376.365 0.277 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C[C@@H]1C(=O)[O-] ZINC001598809240 996216256 /nfs/dbraw/zinc/21/62/56/996216256.db2.gz PPEKRTAVIRIRQP-IUCAKERBSA-N -1 0 376.287 0.199 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C(=O)[O-] ZINC001598809343 996216840 /nfs/dbraw/zinc/21/68/40/996216840.db2.gz PVZXXCDCQJWGBS-GMTAPVOTSA-N -1 0 381.351 0.386 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC001598809998 996222761 /nfs/dbraw/zinc/22/27/61/996222761.db2.gz JKAPRIHACHADDL-CFVMTHIKSA-N -1 0 376.409 0.976 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598809996 996222793 /nfs/dbraw/zinc/22/27/93/996222793.db2.gz JKAPRIHACHADDL-AEGPPILISA-N -1 0 376.409 0.976 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C[C@H]1C(=O)[O-] ZINC001598810158 996224070 /nfs/dbraw/zinc/22/40/70/996224070.db2.gz VFLLDESPHIIYDI-KCPJHIHWSA-N -1 0 392.383 0.901 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCC2(S(C)(=O)=O)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001598810275 996225752 /nfs/dbraw/zinc/22/57/52/996225752.db2.gz SUSASZGKKUFPAY-NWDGAFQWSA-N -1 0 390.458 0.249 20 0 GCADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)NCCC(=O)NCCC(=O)[O-] ZINC001593714190 996229117 /nfs/dbraw/zinc/22/91/17/996229117.db2.gz VYJGTFAYEAWGCR-NSHDSACASA-N -1 0 383.832 0.957 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)[C@]2(C)Cc3ccc(C)cc3C(=O)O2)C[C@@H]1C(=O)[O-] ZINC001598810705 996229111 /nfs/dbraw/zinc/22/91/11/996229111.db2.gz XFEXDEKMVSMOMR-KSMMKXTCSA-N -1 0 375.377 0.799 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCN(Cc2ccccc2)C(C)=O)C[C@H]1C(=O)[O-] ZINC001598811268 996233866 /nfs/dbraw/zinc/23/38/66/996233866.db2.gz NHODQDMCWUDRFN-CVEARBPZSA-N -1 0 376.409 0.757 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCCc2ccccc2S(C)(=O)=O)C[C@@H]1C(=O)[O-] ZINC001598811496 996235330 /nfs/dbraw/zinc/23/53/30/996235330.db2.gz XAJCMSVCTYQMQB-QWHCGFSZSA-N -1 0 398.437 0.148 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NCc2cccc(N3CCCC3=O)c2)C[C@H]1C(=O)[O-] ZINC001598811504 996235383 /nfs/dbraw/zinc/23/53/83/996235383.db2.gz XCLPWSXKAYKSLX-HUUCEWRRSA-N -1 0 389.408 0.829 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C[C@@H]1C(=O)[O-] ZINC001598811866 996238355 /nfs/dbraw/zinc/23/83/55/996238355.db2.gz ZZCNVQJKJNWVLI-KBPBESRZSA-N -1 0 381.429 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C[C@H]1C(=O)[O-] ZINC001598811872 996238377 /nfs/dbraw/zinc/23/83/77/996238377.db2.gz ZZCNVQJKJNWVLI-ZIAGYGMSSA-N -1 0 381.429 0.246 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)C[C@H]1C(=O)[O-] ZINC001598811868 996238452 /nfs/dbraw/zinc/23/84/52/996238452.db2.gz ZZCNVQJKJNWVLI-KGLIPLIRSA-N -1 0 381.429 0.246 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598812014 996239464 /nfs/dbraw/zinc/23/94/64/996239464.db2.gz YAEALEAJVYUELQ-IVZWLZJFSA-N -1 0 378.307 0.502 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001598812189 996241153 /nfs/dbraw/zinc/24/11/53/996241153.db2.gz ZMINABORPDZTDW-IVZWLZJFSA-N -1 0 378.307 0.539 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C[C@H]1C(=O)[O-] ZINC001598813512 996250556 /nfs/dbraw/zinc/25/05/56/996250556.db2.gz UZGWZKMLHHPBPZ-ZIAGYGMSSA-N -1 0 399.421 0.191 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C[C@@H]1C(=O)[O-] ZINC001598813506 996250638 /nfs/dbraw/zinc/25/06/38/996250638.db2.gz UZGWZKMLHHPBPZ-KBPBESRZSA-N -1 0 399.421 0.191 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H]1C(=O)[O-] ZINC001598813751 996252025 /nfs/dbraw/zinc/25/20/25/996252025.db2.gz HVIQAKAUTCZHLS-WDEREUQCSA-N -1 0 379.369 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)C[C@H]1C(=O)[O-] ZINC001598814086 996254732 /nfs/dbraw/zinc/25/47/32/996254732.db2.gz XAMZGUREDOJHSV-NXEZZACHSA-N -1 0 398.318 0.337 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)CSCC(=O)Nc2cccc(C)c2)C[C@H]1C(=O)[O-] ZINC001598814139 996255375 /nfs/dbraw/zinc/25/53/75/996255375.db2.gz XMXIIHRKXJQYAM-KGLIPLIRSA-N -1 0 394.449 0.999 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C[C@H]1C(=O)OC ZINC001598814245 996256408 /nfs/dbraw/zinc/25/64/08/996256408.db2.gz JVZAEPCWIQPLLH-BETUJISGSA-N -1 0 388.376 0.829 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@@H]1C(=O)[O-] ZINC001598815137 996263893 /nfs/dbraw/zinc/26/38/93/996263893.db2.gz KRBIDSHRJKBWNF-FPYNETTCSA-N -1 0 397.428 0.367 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2nccc(C(F)(F)F)n2)C[C@H]1C(=O)[O-] ZINC001598815185 996264398 /nfs/dbraw/zinc/26/43/98/996264398.db2.gz LNSAFIFKAHNHBL-SFYZADRCSA-N -1 0 376.291 0.511 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@@H]1C(=O)[O-] ZINC001598815875 996270096 /nfs/dbraw/zinc/27/00/96/996270096.db2.gz PWOFBRSVRKLXSU-UONOGXRCSA-N -1 0 391.380 0.976 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001598816262 996273515 /nfs/dbraw/zinc/27/35/15/996273515.db2.gz QMBRYFJLJVLVDT-KBPBESRZSA-N -1 0 377.397 0.655 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001598816455 996275609 /nfs/dbraw/zinc/27/56/09/996275609.db2.gz CFBOGCWXDBVFSA-NSHDSACASA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001598816441 996275640 /nfs/dbraw/zinc/27/56/40/996275640.db2.gz BYCMETOGKBEUEU-SNVBAGLBSA-N -1 0 390.801 0.043 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)NCc2cnc(Br)cn2)C[C@H]1C(=O)[O-] ZINC001598816743 996278074 /nfs/dbraw/zinc/27/80/74/996278074.db2.gz RMHUSPFWLBXFDV-BDAKNGLRSA-N -1 0 387.190 0.254 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C[C@H]1C(=O)[O-] ZINC001598816825 996279440 /nfs/dbraw/zinc/27/94/40/996279440.db2.gz SBPQKYHHZHPAKW-OLZOCXBDSA-N -1 0 393.396 0.910 20 0 GCADRM COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1cc(C(=O)[O-])ccc1Br ZINC001598816929 996280262 /nfs/dbraw/zinc/28/02/62/996280262.db2.gz FFRWPZWVOLOYTA-LBPRGKRZSA-N -1 0 385.214 0.963 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2cccc3c2N(C)C(=O)CO3)C[C@H]1C(=O)[O-] ZINC001598817030 996281728 /nfs/dbraw/zinc/28/17/28/996281728.db2.gz UWMHGOQCDJIXLX-NXEZZACHSA-N -1 0 377.353 0.379 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@H]1C(=O)[O-] ZINC001598817081 996281894 /nfs/dbraw/zinc/28/18/94/996281894.db2.gz VCIGVJNGWVGPDP-NEPJUHHUSA-N -1 0 384.410 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)C[C@@H]1C(=O)[O-] ZINC001598817199 996283093 /nfs/dbraw/zinc/28/30/93/996283093.db2.gz TUESUFCOFNVUIA-STQMWFEESA-N -1 0 375.381 0.933 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001598817678 996288224 /nfs/dbraw/zinc/28/82/24/996288224.db2.gz HNDSTSTVTSDBSK-QMMMGPOBSA-N -1 0 380.806 0.357 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)C[C@H]1C(=O)[O-] ZINC001598817897 996290800 /nfs/dbraw/zinc/29/08/00/996290800.db2.gz WTLDRQLWJBQXOD-GMTAPVOTSA-N -1 0 387.389 0.053 20 0 GCADRM COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC001598818076 996292466 /nfs/dbraw/zinc/29/24/66/996292466.db2.gz JKQKULOHROSVSH-SNVBAGLBSA-N -1 0 385.446 0.514 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)Nc2ccn(-c3ncccc3F)n2)C[C@@H]1C(=O)[O-] ZINC001598818342 996295642 /nfs/dbraw/zinc/29/56/42/996295642.db2.gz YTDOVOROIRVYMS-UWVGGRQHSA-N -1 0 377.332 0.744 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598818471 996297309 /nfs/dbraw/zinc/29/73/09/996297309.db2.gz QSUHSOLHFPAFPJ-KBPBESRZSA-N -1 0 381.406 0.569 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)C[C@@H]1C(=O)[O-] ZINC001598818907 996302035 /nfs/dbraw/zinc/30/20/35/996302035.db2.gz ZASTWOXXVKYPTM-CYDGBPFRSA-N -1 0 399.444 0.805 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2OC)C[C@H]1C(=O)[O-] ZINC001598819099 996304559 /nfs/dbraw/zinc/30/45/59/996304559.db2.gz ZMIQICJPKYIXDQ-VXGBXAGGSA-N -1 0 379.369 0.991 20 0 GCADRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C1 ZINC001598819401 996307269 /nfs/dbraw/zinc/30/72/69/996307269.db2.gz OHTLCJABFGATMH-LBPRGKRZSA-N -1 0 388.417 0.558 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)C[C@H]1C(=O)[O-] ZINC001598819783 996312620 /nfs/dbraw/zinc/31/26/20/996312620.db2.gz UXPHYHREDJNXNG-RKDXNWHRSA-N -1 0 390.801 0.084 20 0 GCADRM COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598820593 996321538 /nfs/dbraw/zinc/32/15/38/996321538.db2.gz UTFOMBSANJAZIA-LLVKDONJSA-N -1 0 399.197 0.603 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC001598820746 996324203 /nfs/dbraw/zinc/32/42/03/996324203.db2.gz HRCLACPERCDDIV-VXGBXAGGSA-N -1 0 378.772 0.867 20 0 GCADRM COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C[C@H]1C(=O)[O-] ZINC001598820856 996324788 /nfs/dbraw/zinc/32/47/88/996324788.db2.gz VDTQVWIAMTYOAU-GIPNMCIBSA-N -1 0 382.319 0.402 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2cc(Br)cc(N)c2N)C[C@@H]1C(=O)[O-] ZINC001598821194 996329027 /nfs/dbraw/zinc/32/90/27/996329027.db2.gz ZDXPDSUXDGFDOS-IUCAKERBSA-N -1 0 386.202 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc(N)c2N)C[C@@H]1C(=O)[O-] ZINC001598821192 996329225 /nfs/dbraw/zinc/32/92/25/996329225.db2.gz ZDXPDSUXDGFDOS-DTWKUNHWSA-N -1 0 386.202 0.559 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)C[C@@H]1C(=O)[O-] ZINC001598821722 996336221 /nfs/dbraw/zinc/33/62/21/996336221.db2.gz LTNOJJHMYGQGOK-LSDHHAIUSA-N -1 0 395.433 0.959 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)C[C@H]1C(=O)[O-] ZINC001598821947 996338267 /nfs/dbraw/zinc/33/82/67/996338267.db2.gz MWCXWUGYSGECCY-YUSALJHKSA-N -1 0 375.381 0.409 20 0 GCADRM COC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)C[C@@H]1C(=O)[O-] ZINC001598821948 996338639 /nfs/dbraw/zinc/33/86/39/996338639.db2.gz MWCXWUGYSGECCY-ZMLRMANQSA-N -1 0 375.381 0.409 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2ccnc(OCC(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001598821936 996338715 /nfs/dbraw/zinc/33/87/15/996338715.db2.gz MUFAETNSTDWAAI-UWVGGRQHSA-N -1 0 376.287 0.969 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1C(=O)[O-] ZINC001598823348 996354458 /nfs/dbraw/zinc/35/44/58/996354458.db2.gz CBJZOOOEZUIPAL-DTWKUNHWSA-N -1 0 382.316 0.595 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@H]1C(=O)[O-] ZINC001598823383 996355360 /nfs/dbraw/zinc/35/53/60/996355360.db2.gz CFWVVYHGEMABJN-VXGBXAGGSA-N -1 0 380.378 0.022 20 0 GCADRM COC(=O)[C@H]1CN(C(=O)c2nc(F)ccc2Br)C[C@H]1C(=O)[O-] ZINC001598823604 996357785 /nfs/dbraw/zinc/35/77/85/996357785.db2.gz WXOKCMULQIGMAP-RQJHMYQMSA-N -1 0 375.150 0.929 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2OC)C[C@@H]1C(=O)[O-] ZINC001598823945 996361143 /nfs/dbraw/zinc/36/11/43/996361143.db2.gz DWHWUTLPKGGLDI-UWVGGRQHSA-N -1 0 377.802 0.843 20 0 GCADRM COC(=O)[C@H]1CN(Cn2nc(-c3cccnc3)n(C)c2=S)C[C@H]1C(=O)[O-] ZINC001598824343 996365794 /nfs/dbraw/zinc/36/57/94/996365794.db2.gz GORLIGOUZTWJDV-NEPJUHHUSA-N -1 0 377.426 0.776 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)C[C@@H]1C(=O)[O-] ZINC001598824939 996372206 /nfs/dbraw/zinc/37/22/06/996372206.db2.gz IXVLQTDSSIEHCQ-QWHCGFSZSA-N -1 0 384.410 0.448 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cc(OC)c(OC)cc2F)C[C@H]1C(=O)[O-] ZINC001598825015 996372638 /nfs/dbraw/zinc/37/26/38/996372638.db2.gz JGPZLYJPNBDQBQ-BDAKNGLRSA-N -1 0 391.373 0.337 20 0 GCADRM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001598825158 996374486 /nfs/dbraw/zinc/37/44/86/996374486.db2.gz MCKSUVBKHKEWNM-NSHDSACASA-N -1 0 377.802 0.909 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC001598825715 996380241 /nfs/dbraw/zinc/38/02/41/996380241.db2.gz KVYGTOUTVQAFBW-LLVKDONJSA-N -1 0 397.327 0.966 20 0 GCADRM COC(=O)[C@H]1CSCCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001598825980 996382726 /nfs/dbraw/zinc/38/27/26/996382726.db2.gz QVWBLBMINDTONK-SNVBAGLBSA-N -1 0 384.385 0.827 20 0 GCADRM C[C@@]1(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])CCNC1=O ZINC001593749209 996386183 /nfs/dbraw/zinc/38/61/83/996386183.db2.gz JWRBFNJVIUIJDB-XHDPSFHLSA-N -1 0 385.214 0.924 20 0 GCADRM C[C@]1(C(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)[O-])CCNC1=O ZINC001593749204 996386294 /nfs/dbraw/zinc/38/62/94/996386294.db2.gz JWRBFNJVIUIJDB-ABAIWWIYSA-N -1 0 385.214 0.924 20 0 GCADRM COC(=O)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C)n2CC2CC2)C[C@@H]1C(=O)[O-] ZINC001598826267 996386361 /nfs/dbraw/zinc/38/63/61/996386361.db2.gz HTTUSLAMWWKJEG-AHLTXXRQSA-N -1 0 378.429 0.891 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598826598 996389140 /nfs/dbraw/zinc/38/91/40/996389140.db2.gz JKVSRTJFHNCYEU-SFYZADRCSA-N -1 0 383.209 0.883 20 0 GCADRM COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C(=O)[O-] ZINC001598826948 996392822 /nfs/dbraw/zinc/39/28/22/996392822.db2.gz KYIQCPLLJIALNA-QWRGUYRKSA-N -1 0 392.227 0.943 20 0 GCADRM COC(=O)[C@H]1CNCCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598826929 996393216 /nfs/dbraw/zinc/39/32/16/996393216.db2.gz KNYRUBOEXOGRTR-SNVBAGLBSA-N -1 0 378.353 0.189 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)C[C@H]1C(=O)[O-] ZINC001598827053 996394627 /nfs/dbraw/zinc/39/46/27/996394627.db2.gz PDXREZDRYXBJSJ-GHMZBOCLSA-N -1 0 388.373 0.278 20 0 GCADRM COC(=O)[C@@H]1CN(Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598827286 996396670 /nfs/dbraw/zinc/39/66/70/996396670.db2.gz KHOAINSLPMGRPQ-NXEZZACHSA-N -1 0 376.818 0.293 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])CCO1 ZINC001598827318 996396737 /nfs/dbraw/zinc/39/67/37/996396737.db2.gz MNECRXHLAXQXQP-LBPRGKRZSA-N -1 0 380.378 0.496 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598827498 996398668 /nfs/dbraw/zinc/39/86/68/996398668.db2.gz RFNHSKUWMJOUHT-KKVRKASNSA-N -1 0 390.439 0.194 20 0 GCADRM COC(=O)[C@H]1CN(c2ccc(I)cn2)C[C@@H]1C(=O)[O-] ZINC001598827559 996399518 /nfs/dbraw/zinc/39/95/18/996399518.db2.gz NLOFTLZKDQXGDZ-IUCAKERBSA-N -1 0 376.150 0.996 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(OC)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001598827690 996401410 /nfs/dbraw/zinc/40/14/10/996401410.db2.gz OAPCUUFUGKWIHC-DTWKUNHWSA-N -1 0 378.790 0.238 20 0 GCADRM COC(=O)[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2OC)C[C@H]1C(=O)[O-] ZINC001598828439 996409448 /nfs/dbraw/zinc/40/94/48/996409448.db2.gz WDEQWMDHLGHHMU-VXGBXAGGSA-N -1 0 375.374 0.470 20 0 GCADRM COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC(=O)NCC(=O)[O-] ZINC001598829349 996418757 /nfs/dbraw/zinc/41/87/57/996418757.db2.gz IDWCTUJDNCWJCQ-LBPRGKRZSA-N -1 0 385.214 0.550 20 0 GCADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC001593761457 996421996 /nfs/dbraw/zinc/42/19/96/996421996.db2.gz AVPQHNBFWBOWPX-NHYWBVRUSA-N -1 0 379.379 0.700 20 0 GCADRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001598829727 996423231 /nfs/dbraw/zinc/42/32/31/996423231.db2.gz 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20 0 GCADRM COCCO[C@@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@]1(O)CCOC1 ZINC001599249140 998198750 /nfs/dbraw/zinc/19/87/50/998198750.db2.gz VQPBSIRPRCERTG-SCLBCKFNSA-N -1 0 398.460 0.455 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cn1C ZINC001598953535 998199106 /nfs/dbraw/zinc/19/91/06/998199106.db2.gz PKWKIOQDQVSTRN-GFCCVEGCSA-N -1 0 396.421 0.739 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2nc(C)no2)c(C(=O)[O-])s1 ZINC001598953573 998199298 /nfs/dbraw/zinc/19/92/98/998199298.db2.gz FUHZDMCDEKBEDW-YFKPBYRVSA-N -1 0 375.384 0.964 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN(C(C)=O)C2)ccc1C(=O)[O-] ZINC001598953715 998202150 /nfs/dbraw/zinc/20/21/50/998202150.db2.gz RPKBCBIQPNUOID-GFCCVEGCSA-N -1 0 398.437 0.708 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)c(C(=O)[O-])s1 ZINC001598953877 998203839 /nfs/dbraw/zinc/20/38/39/998203839.db2.gz UDHYUFIGUMGHQD-SNVBAGLBSA-N -1 0 391.345 0.825 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c(C(=O)[O-])s1 ZINC001598953845 998204362 /nfs/dbraw/zinc/20/43/62/998204362.db2.gz SUOKKWDYCSSUSC-ZETCQYMHSA-N -1 0 376.412 0.132 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)Cc2cnn(C)c2)ccc1C(=O)[O-] ZINC001598954020 998207073 /nfs/dbraw/zinc/20/70/73/998207073.db2.gz NGBQUEYSPRQXOI-JTQLQIEISA-N -1 0 381.410 0.814 20 0 GCADRM COC(=O)c1cc(S(=O)(=O)N[C@@H]2CN(C)CC2(C)C)c(C(=O)[O-])s1 ZINC001598954100 998208815 /nfs/dbraw/zinc/20/88/15/998208815.db2.gz XXOMJADSSZOGOS-SNVBAGLBSA-N -1 0 376.456 0.851 20 0 GCADRM COc1cc(S(=O)(=O)N2CCN(Cc3noc(C)n3)CC2)ccc1C(=O)[O-] ZINC001599457246 998208963 /nfs/dbraw/zinc/20/89/63/998208963.db2.gz AHNFKFKHPOBUTR-UHFFFAOYSA-N -1 0 396.425 0.591 20 0 GCADRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1C(=O)[O-] ZINC001599457438 998211414 /nfs/dbraw/zinc/21/14/14/998211414.db2.gz GBPSMILMQBKYKP-ZJUUUORDSA-N -1 0 377.440 0.590 20 0 GCADRM COCCO[C@@H]1COCC[C@H]1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001599250171 998215718 /nfs/dbraw/zinc/21/57/18/998215718.db2.gz 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ZINC001598986030 998696699 /nfs/dbraw/zinc/69/66/99/998696699.db2.gz AGCSRSKFTQJDGR-APPDUMDISA-N -1 0 399.421 0.740 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CNC(C)=O)cc1C(=O)[O-] ZINC001598986252 998698370 /nfs/dbraw/zinc/69/83/70/998698370.db2.gz JEMBMPDMLDNMGN-GFCCVEGCSA-N -1 0 398.437 0.851 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)OC)[C@H]2C)cc1C(=O)[O-] ZINC001598986304 998698993 /nfs/dbraw/zinc/69/89/93/998698993.db2.gz KXTMVSHTZOKFJI-MWLCHTKSSA-N -1 0 385.394 0.744 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)OC)[C@@H]2C)cc1C(=O)[O-] ZINC001598986305 998699052 /nfs/dbraw/zinc/69/90/52/998699052.db2.gz KXTMVSHTZOKFJI-ONGXEEELSA-N -1 0 385.394 0.744 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc1C ZINC001598986466 998699974 /nfs/dbraw/zinc/69/99/74/998699974.db2.gz NZDFKDCUPQYJLO-FZMZJTMJSA-N -1 0 399.421 0.809 20 0 GCADRM COC(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCCCN(C)C2=O)cc1C(=O)[O-] ZINC001598986575 998701092 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COC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001599007500 998867794 /nfs/dbraw/zinc/86/77/94/998867794.db2.gz JBIPMCUFHKNHBM-LBPRGKRZSA-N -1 0 381.410 0.727 20 0 GCADRM COC(=O)c1cnc(C(=O)O[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cn1 ZINC001599007527 998868362 /nfs/dbraw/zinc/86/83/62/998868362.db2.gz KAZVJDVGASCNIU-CQSZACIVSA-N -1 0 393.396 0.768 20 0 GCADRM COC(=O)c1cnc([C@H](C)NC(=O)C(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC001599008350 998874891 /nfs/dbraw/zinc/87/48/91/998874891.db2.gz YFHVGQKNLIETAC-IDKOKCKLSA-N -1 0 383.426 0.867 20 0 GCADRM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC[C@H](O)C(=O)[O-])cc2)C1 ZINC001594232163 998882970 /nfs/dbraw/zinc/88/29/70/998882970.db2.gz YRFGYTLEOBAFQW-ZENOOKHLSA-N -1 0 398.481 0.919 20 0 GCADRM COC(=O)c1cnn(C)c1NC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001599011704 998903644 /nfs/dbraw/zinc/90/36/44/998903644.db2.gz YBXOQYFMKBJPFV-GFCCVEGCSA-N -1 0 380.332 1.000 20 0 GCADRM CC1CC(CNC(=O)C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 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COc1ccc(C(=O)N2CCCC2)cc1NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818576610 597523753 /nfs/dbraw/zinc/52/37/53/597523753.db2.gz QXKYUVSWXVXYQL-CYBMUJFWSA-N -1 0 389.408 0.803 20 0 GCADRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000819209262 597524135 /nfs/dbraw/zinc/52/41/35/597524135.db2.gz AHDNPMQCFLEGDL-SNVBAGLBSA-N -1 0 387.314 0.850 20 0 GCADRM Cc1cc(N2C[C@@H](C(=O)OCc3cn(CC(=O)[O-])nn3)CC2=O)ccc1F ZINC000820980532 597640252 /nfs/dbraw/zinc/64/02/52/597640252.db2.gz QTPQKIHKQGCTNR-NSHDSACASA-N -1 0 376.344 0.907 20 0 GCADRM O=C([O-])[C@@H]1CN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCO1 ZINC000821399972 597662058 /nfs/dbraw/zinc/66/20/58/597662058.db2.gz SQUWBBAPDRTWIO-KSSFIOAISA-N -1 0 378.381 0.384 20 0 GCADRM Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCCCC(=O)[O-])no2)cn1 ZINC000821277705 597666134 /nfs/dbraw/zinc/66/61/34/597666134.db2.gz PILNZXICDBOOES-GFCCVEGCSA-N -1 0 378.389 0.808 20 0 GCADRM CC(=O)NCCN(CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@H](C)C(=O)[O-] 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CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)C(=O)[O-] ZINC000655943479 1184883015 /nfs/dbraw/zinc/88/30/15/1184883015.db2.gz FYEVMUOAPGARDI-ZDUSSCGKSA-N -1 0 386.408 0.754 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000655943286 1184883115 /nfs/dbraw/zinc/88/31/15/1184883115.db2.gz BCICFRJACFDSLI-HNNXBMFYSA-N -1 0 391.424 0.571 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C(=O)[O-] ZINC000655943661 1184883862 /nfs/dbraw/zinc/88/38/62/1184883862.db2.gz IMPDOPLZNJLXCI-CQSZACIVSA-N -1 0 389.408 0.747 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000655943813 1184884007 /nfs/dbraw/zinc/88/40/07/1184884007.db2.gz VPDULECJCGQKKO-CYBMUJFWSA-N -1 0 385.442 0.348 20 0 GCADRM COc1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1OCC(=O)NC1CC1 ZINC000655943760 1184884314 /nfs/dbraw/zinc/88/43/14/1184884314.db2.gz SYZQUZSQZYPEGO-JTQLQIEISA-N -1 0 393.396 0.128 20 0 GCADRM COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])n2)c1C 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BWINCXPCKDGXCU-LBPRGKRZSA-N -1 0 392.408 0.417 20 0 GCADRM CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000655979378 1184916067 /nfs/dbraw/zinc/91/60/67/1184916067.db2.gz CGLZNKOCFXHWPU-TZMCWYRMSA-N -1 0 393.440 0.558 20 0 GCADRM CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000655979376 1184916185 /nfs/dbraw/zinc/91/61/85/1184916185.db2.gz CGLZNKOCFXHWPU-JSGCOSHPSA-N -1 0 393.440 0.558 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000655979487 1184916259 /nfs/dbraw/zinc/91/62/59/1184916259.db2.gz FYQQNBORIONNAF-QGZVFWFLSA-N -1 0 390.484 0.398 20 0 GCADRM CNC(=O)Cn1cnc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000683708293 1184916803 /nfs/dbraw/zinc/91/68/03/1184916803.db2.gz ZFTSMMQQSYGPEZ-UHFFFAOYSA-N -1 0 393.347 0.865 20 0 GCADRM Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cn2)n1 ZINC000655979999 1184916817 /nfs/dbraw/zinc/91/68/17/1184916817.db2.gz OCBRNBCTIXSLMJ-OAHLLOKOSA-N -1 0 387.440 0.973 20 0 GCADRM Cc1cccc([C@H](CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])N2CCOCC2)c1 ZINC000655980354 1184917425 /nfs/dbraw/zinc/91/74/25/1184917425.db2.gz RUITVTFDFKIWBY-HOCLYGCPSA-N -1 0 377.441 0.321 20 0 GCADRM Cc1cccc([C@H](CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])N2CCOCC2)c1 ZINC000655980356 1184917965 /nfs/dbraw/zinc/91/79/65/1184917965.db2.gz RUITVTFDFKIWBY-ZBFHGGJFSA-N -1 0 377.441 0.321 20 0 GCADRM C[C@@H](CNC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)[O-] ZINC000655983981 1184919924 /nfs/dbraw/zinc/91/99/24/1184919924.db2.gz PUGNNIZJQJUJJK-SMDDNHRTSA-N -1 0 377.397 0.257 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)C(=O)[O-] ZINC000655985324 1184920005 /nfs/dbraw/zinc/92/00/05/1184920005.db2.gz XEAVQBMDAUPOBL-NSHDSACASA-N -1 0 395.378 0.519 20 0 GCADRM C[C@@H](CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1)C(=O)[O-] ZINC000655984788 1184920493 /nfs/dbraw/zinc/92/04/93/1184920493.db2.gz SJULLFPZQMCNEQ-SWLSCSKDSA-N -1 0 397.859 0.666 20 0 GCADRM CCc1cc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C2)ncn1 ZINC000655986565 1184920501 /nfs/dbraw/zinc/92/05/01/1184920501.db2.gz GBQFVPJGWLOVPW-LSDHHAIUSA-N -1 0 391.472 0.597 20 0 GCADRM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655987747 1184920898 /nfs/dbraw/zinc/92/08/98/1184920898.db2.gz NZDZMSWFMMJZHM-HUUCEWRRSA-N -1 0 376.457 0.150 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC000655986466 1184921088 /nfs/dbraw/zinc/92/10/88/1184921088.db2.gz FHYDSDHWZRRTEF-WCQYABFASA-N -1 0 379.388 0.520 20 0 GCADRM CC[C@H](NC(=O)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000655984697 1184921209 /nfs/dbraw/zinc/92/12/09/1184921209.db2.gz RFRXGOOITZHCHK-KBPBESRZSA-N -1 0 399.469 0.374 20 0 GCADRM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000655984684 1184921232 /nfs/dbraw/zinc/92/12/32/1184921232.db2.gz QYTKJRNDSNUIOG-SMDDNHRTSA-N -1 0 399.469 0.245 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)[O-] ZINC000655990761 1184922151 /nfs/dbraw/zinc/92/21/51/1184922151.db2.gz GZAFKQBJDZOWJT-VHSXEESVSA-N -1 0 381.351 0.129 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)[O-] ZINC000655991036 1184922517 /nfs/dbraw/zinc/92/25/17/1184922517.db2.gz JUPNTDWSTWVZJK-MFKMUULPSA-N -1 0 397.378 0.659 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)[O-] ZINC000655991555 1184922964 /nfs/dbraw/zinc/92/29/64/1184922964.db2.gz NHTGWTHBLGFZMZ-UFBFGSQYSA-N -1 0 385.779 0.538 20 0 GCADRM COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@@H](C(=O)[O-])C(C)C)C1=O ZINC000655991966 1184923488 /nfs/dbraw/zinc/92/34/88/1184923488.db2.gz RDVDCYGZUYHXBQ-OLZOCXBDSA-N -1 0 391.424 0.390 20 0 GCADRM C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C(=O)[O-] ZINC000655988680 1184923677 /nfs/dbraw/zinc/92/36/77/1184923677.db2.gz VJARDSISIAYJPL-WDEREUQCSA-N -1 0 385.367 0.820 20 0 GCADRM COc1ccccc1-c1noc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000655992592 1184923712 /nfs/dbraw/zinc/92/37/12/1184923712.db2.gz CASKGMHIDOKWMX-NXEZZACHSA-N -1 0 376.369 0.759 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)[O-] ZINC000655992434 1184923731 /nfs/dbraw/zinc/92/37/31/1184923731.db2.gz YPGRETLRKKAKCB-LSDHHAIUSA-N -1 0 390.440 0.162 20 0 GCADRM CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655993600 1184924206 /nfs/dbraw/zinc/92/42/06/1184924206.db2.gz HTVJFGJMPTUPDM-HOTGVXAUSA-N -1 0 389.452 0.624 20 0 GCADRM CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000655993601 1184924462 /nfs/dbraw/zinc/92/44/62/1184924462.db2.gz HTVJFGJMPTUPDM-HZPDHXFCSA-N -1 0 389.452 0.624 20 0 GCADRM COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)c1 ZINC000655992741 1184925039 /nfs/dbraw/zinc/92/50/39/1184925039.db2.gz FYGARDXPGXWBMF-RYUDHWBXSA-N -1 0 379.413 0.236 20 0 GCADRM 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ZINC000422656026 1194682560 /nfs/dbraw/zinc/68/25/60/1194682560.db2.gz AOKKRPMGYHFBDN-ZDUSSCGKSA-N -1 0 379.413 0.951 20 0 GCADRM CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)cc21 ZINC000422655239 1194682682 /nfs/dbraw/zinc/68/26/82/1194682682.db2.gz QTFAKWUPYSEWDO-ZDUSSCGKSA-N -1 0 386.408 0.601 20 0 GCADRM CC(C)C[C@H](NC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C(=O)[O-] ZINC000422657235 1194682892 /nfs/dbraw/zinc/68/28/92/1194682892.db2.gz JEVRKVORJJOIDJ-AWEZNQCLSA-N -1 0 379.413 0.708 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(S(C)(=O)=O)c1 ZINC000422658839 1194682939 /nfs/dbraw/zinc/68/29/39/1194682939.db2.gz VKPQWLXAPWFBCI-LBPRGKRZSA-N -1 0 386.426 0.653 20 0 GCADRM C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000422657795 1194682991 /nfs/dbraw/zinc/68/29/91/1194682991.db2.gz BIYXUYIERTYJFJ-MBNYWOFBSA-N -1 0 376.413 0.709 20 0 GCADRM CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000422658742 1194682993 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CCOC(=O)C(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000422664175 1194684552 /nfs/dbraw/zinc/68/45/52/1194684552.db2.gz RGKJYYCYCLQWDH-VIFPVBQESA-N -1 0 383.426 0.998 20 0 GCADRM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000422664276 1194684557 /nfs/dbraw/zinc/68/45/57/1194684557.db2.gz RJIFUCJHZRKPJB-LSDHHAIUSA-N -1 0 389.408 0.619 20 0 GCADRM O=C([O-])[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422665110 1194684636 /nfs/dbraw/zinc/68/46/36/1194684636.db2.gz VEDOZENJPCGMHB-AWEZNQCLSA-N -1 0 395.437 0.485 20 0 GCADRM CCn1nnnc1-c1cccc(NC(=O)C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000422688057 1194684697 /nfs/dbraw/zinc/68/46/97/1194684697.db2.gz KANMOHGFRTYAAK-DGCLKSJQSA-N -1 0 386.412 0.868 20 0 GCADRM NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000422665070 1194684704 /nfs/dbraw/zinc/68/47/04/1194684704.db2.gz USXMHWBGEYUVJU-SNVBAGLBSA-N -1 0 385.323 0.444 20 0 GCADRM CC(C)(C)CC[C@H](NC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)C(=O)[O-] ZINC000422686258 1194684729 /nfs/dbraw/zinc/68/47/29/1194684729.db2.gz SVNQQZDAMVSBAI-LBPRGKRZSA-N -1 0 389.412 0.996 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc(OC)cc1OC ZINC000422665472 1194684954 /nfs/dbraw/zinc/68/49/54/1194684954.db2.gz XPYCWBYBHKMHHL-LBPRGKRZSA-N -1 0 394.380 0.895 20 0 GCADRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc(OCCC(=O)NC)cc1)C(=O)[O-] ZINC000422666199 1194684973 /nfs/dbraw/zinc/68/49/73/1194684973.db2.gz FWVDHMWMUTVBNF-NHYWBVRUSA-N -1 0 379.413 0.756 20 0 GCADRM CCC[C@H](NC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)C(=O)[O-] ZINC000422668014 1194685034 /nfs/dbraw/zinc/68/50/34/1194685034.db2.gz BRHAWJJDXOBQJZ-ZDUSSCGKSA-N -1 0 377.397 0.530 20 0 GCADRM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000422665493 1194685112 /nfs/dbraw/zinc/68/51/12/1194685112.db2.gz XUXNCVGZSKHSCD-CQSZACIVSA-N -1 0 397.453 0.730 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1nc2c(s1)CCCC2)[C@H](C)C(=O)[O-] ZINC000422667849 1194685455 /nfs/dbraw/zinc/68/54/55/1194685455.db2.gz ASYQQJDXJABSBJ-SECBINFHSA-N -1 0 382.442 0.398 20 0 GCADRM CCN(CC)c1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cn1 ZINC000422667923 1194685522 /nfs/dbraw/zinc/68/55/22/1194685522.db2.gz BDFCYJPSSHOAIW-LBPRGKRZSA-N -1 0 393.444 0.304 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc(N(C)C)cc1C)[C@H](C)C(=O)[O-] ZINC000422668405 1194685541 /nfs/dbraw/zinc/68/55/41/1194685541.db2.gz DLJZMHNPSMDBTB-GFCCVEGCSA-N -1 0 378.429 0.437 20 0 GCADRM COc1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c(C)cc1C ZINC000422667829 1194685545 /nfs/dbraw/zinc/68/55/45/1194685545.db2.gz APWINVVMERRZBN-GFCCVEGCSA-N -1 0 379.413 0.688 20 0 GCADRM CCCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1 ZINC000422669189 1194685796 /nfs/dbraw/zinc/68/57/96/1194685796.db2.gz GXOOQQDYMBCZTB-GFCCVEGCSA-N -1 0 379.413 0.852 20 0 GCADRM CCCc1nc(C)c(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])s1 ZINC000422671151 1194685873 /nfs/dbraw/zinc/68/58/73/1194685873.db2.gz MKVIHVJOMSGADF-JTQLQIEISA-N -1 0 384.458 0.780 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H](C)C(=O)[O-] ZINC000422672058 1194685939 /nfs/dbraw/zinc/68/59/39/1194685939.db2.gz PKKUFXJCTTZGGE-LBPRGKRZSA-N -1 0 387.396 0.249 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2)[C@@H](C)C(=O)[O-] ZINC000422673023 1194686115 /nfs/dbraw/zinc/68/61/15/1194686115.db2.gz RVRQBWDHBYYSKM-JTQLQIEISA-N -1 0 393.396 0.570 20 0 GCADRM COC(=O)c1cc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])ccc1C ZINC000422672011 1194686136 /nfs/dbraw/zinc/68/61/36/1194686136.db2.gz PHEHXXZMDVBQLE-NSHDSACASA-N -1 0 393.396 0.158 20 0 GCADRM CCCC[C@H](NC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC000422671933 1194686193 /nfs/dbraw/zinc/68/61/93/1194686193.db2.gz OXTGGSGQVDLJOP-LBPRGKRZSA-N -1 0 385.442 0.595 20 0 GCADRM COC(=O)c1c(C)csc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422672661 1194686335 /nfs/dbraw/zinc/68/63/35/1194686335.db2.gz QZDZVRUIVCAFTJ-SECBINFHSA-N -1 0 399.425 0.219 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)N1C[C@@H](C)Oc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000422673965 1194686575 /nfs/dbraw/zinc/68/65/75/1194686575.db2.gz VCQZPDRACWWEGP-NEPJUHHUSA-N -1 0 377.397 0.238 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc2c(cc1Cl)OCO2)[C@H](C)C(=O)[O-] ZINC000422674018 1194686579 /nfs/dbraw/zinc/68/65/79/1194686579.db2.gz VJZNXSKLEJTPGP-MRVPVSSYSA-N -1 0 399.787 0.445 20 0 GCADRM COCCc1ccccc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-] ZINC000422672201 1194686613 /nfs/dbraw/zinc/68/66/13/1194686613.db2.gz PVUICHHYAFFMQB-GFCCVEGCSA-N -1 0 379.413 0.252 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc2c1CCCC2)[C@H](C)C(=O)[O-] ZINC000422673370 1194686700 /nfs/dbraw/zinc/68/67/00/1194686700.db2.gz SZTJWCUMWGVDSL-GFCCVEGCSA-N -1 0 375.425 0.942 20 0 GCADRM CCCc1cnc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)s1 ZINC000422675377 1194687003 /nfs/dbraw/zinc/68/70/03/1194687003.db2.gz BOKKSORPQKQFQK-VXGBXAGGSA-N -1 0 396.469 0.860 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cccc(-n2ccnc2)c1)[C@H](C)C(=O)[O-] ZINC000422675200 1194687041 /nfs/dbraw/zinc/68/70/41/1194687041.db2.gz YBRUJTBUCHZHDU-GFCCVEGCSA-N -1 0 387.396 0.249 20 0 GCADRM CCOc1ccc(NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000422674210 1194687093 /nfs/dbraw/zinc/68/70/93/1194687093.db2.gz VXVUGOUORXGFJT-LBPRGKRZSA-N -1 0 379.413 0.770 20 0 GCADRM COc1cc(F)c(NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc1OC ZINC000422674683 1194687164 /nfs/dbraw/zinc/68/71/64/1194687164.db2.gz WWRWVJORBDGASQ-SECBINFHSA-N -1 0 399.375 0.219 20 0 GCADRM CC(=O)NCCN(C(=O)C(=O)Nc1cc(Cl)cc(F)c1F)[C@H](C)C(=O)[O-] ZINC000422674229 1194687259 /nfs/dbraw/zinc/68/72/59/1194687259.db2.gz WATSCOFCYNLBCL-SSDOTTSWSA-N -1 0 391.758 0.995 20 0 GCADRM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000422676676 1194687440 /nfs/dbraw/zinc/68/74/40/1194687440.db2.gz DXPWZZDFWYGKRX-CQSZACIVSA-N -1 0 377.319 0.662 20 0 GCADRM CC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422677103 1194687504 /nfs/dbraw/zinc/68/75/04/1194687504.db2.gz HDKQPVCXOYMADK-GJZGRUSLSA-N -1 0 389.408 0.654 20 0 GCADRM CC(C)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cn1 ZINC000422676501 1194687513 /nfs/dbraw/zinc/68/75/13/1194687513.db2.gz DTHFSQVFNIJXLC-KGLIPLIRSA-N -1 0 393.444 0.304 20 0 GCADRM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1F ZINC000422676670 1194687553 /nfs/dbraw/zinc/68/75/53/1194687553.db2.gz DWZBHPLWKCKKSE-TZMCWYRMSA-N -1 0 379.388 0.899 20 0 GCADRM COc1ccc(NC(=O)C(=O)N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1F ZINC000422676268 1194687600 /nfs/dbraw/zinc/68/76/00/1194687600.db2.gz CWTLSQOTVDSYLS-JSGCOSHPSA-N -1 0 395.387 0.599 20 0 GCADRM COc1ccccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422677708 1194687949 /nfs/dbraw/zinc/68/79/49/1194687949.db2.gz KJHUZKNMYBQASR-TZMCWYRMSA-N -1 0 377.397 0.460 20 0 GCADRM COc1cc(C)ccc1NC(=O)C(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422677217 1194687997 /nfs/dbraw/zinc/68/79/97/1194687997.db2.gz HSQHWDIQKCIANI-HIFRSBDPSA-N -1 0 391.424 0.768 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2ccc3ncccc3c2)C1=O ZINC000422677464 1194688063 /nfs/dbraw/zinc/68/80/63/1194688063.db2.gz JCDBUZNWZDJGGU-HOTGVXAUSA-N -1 0 398.419 1.000 20 0 GCADRM CCOC(=O)c1c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)[O-])scc1C(C)C ZINC000422677937 1194688126 /nfs/dbraw/zinc/68/81/26/1194688126.db2.gz LRZLMJFUSLVPFJ-MRXNPFEDSA-N -1 0 386.426 0.939 20 0 GCADRM Cc1cccc2c1N(C(=O)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O)CC2 ZINC000422678315 1194688278 /nfs/dbraw/zinc/68/82/78/1194688278.db2.gz NGBWZQXAGGUTPQ-GJZGRUSLSA-N -1 0 387.436 0.710 20 0 GCADRM CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000422678648 1194688298 /nfs/dbraw/zinc/68/82/98/1194688298.db2.gz YWJAEYIKACYXNH-DYZYQPBXSA-N -1 0 378.385 0.249 20 0 GCADRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc(F)c2)C1=O ZINC000422678338 1194688367 /nfs/dbraw/zinc/68/83/67/1194688367.db2.gz NJIWKEKSTGEBDQ-STQMWFEESA-N -1 0 383.351 0.730 20 0 GCADRM Cc1cc(C)nc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679080 1194688399 /nfs/dbraw/zinc/68/83/99/1194688399.db2.gz RISPEPZLESYMRX-TZMCWYRMSA-N -1 0 376.413 0.463 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2cccc3cccnc32)C1=O ZINC000422680002 1194688611 /nfs/dbraw/zinc/68/86/11/1194688611.db2.gz XPABWEYFTWMJBB-GDBMZVCRSA-N -1 0 398.419 1.000 20 0 GCADRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccc3cc[nH]c3c2)C1=O ZINC000422680130 1194688674 /nfs/dbraw/zinc/68/86/74/1194688674.db2.gz YFCSSXONAKYYSH-UKRRQHHQSA-N -1 0 386.408 0.933 20 0 GCADRM COc1cccc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000422679639 1194688730 /nfs/dbraw/zinc/68/87/30/1194688730.db2.gz VOWMZINOJYDVDU-ZIAGYGMSSA-N -1 0 377.397 0.460 20 0 GCADRM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1)C(=O)[O-] ZINC000422680095 1194688739 /nfs/dbraw/zinc/68/87/39/1194688739.db2.gz YBCAEZPTTFQKSS-LJQANCHMSA-N -1 0 387.392 0.593 20 0 GCADRM Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000422701014 1194689713 /nfs/dbraw/zinc/68/97/13/1194689713.db2.gz HUOKMWLMSPVLQD-FZMZJTMJSA-N -1 0 396.465 0.584 20 0 GCADRM COc1cc(OC)c(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000422700448 1194689932 /nfs/dbraw/zinc/68/99/32/1194689932.db2.gz BVXCQQGZMLXCGA-RYUDHWBXSA-N -1 0 394.424 0.898 20 0 GCADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccncc2OCC(F)F)C1 ZINC000422703150 1194690015 /nfs/dbraw/zinc/69/00/15/1194690015.db2.gz MENGOAYIVSXSML-PWSUYJOCSA-N -1 0 385.367 0.911 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccncc2OCC(F)F)C1 ZINC000422703148 1194690143 /nfs/dbraw/zinc/69/01/43/1194690143.db2.gz MENGOAYIVSXSML-CMPLNLGQSA-N -1 0 385.367 0.911 20 0 GCADRM C[C@@H](NC(=O)C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(=O)N1Cc2ccccc2C1 ZINC000422705314 1194690580 /nfs/dbraw/zinc/69/05/80/1194690580.db2.gz REGAUXVLMOFULI-XJKCOSOUSA-N -1 0 387.436 0.603 20 0 GCADRM COc1cccc(N2CCN(C(=O)C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)CC2)c1 ZINC000422710310 1194690952 /nfs/dbraw/zinc/69/09/52/1194690952.db2.gz LMTHHQHSDTYCSP-LSDHHAIUSA-N -1 0 389.452 0.913 20 0 GCADRM CCS(=O)(=O)c1cccc(CNC(=O)C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422709394 1194691087 /nfs/dbraw/zinc/69/10/87/1194691087.db2.gz ZEFYENYXKMNUCF-JSGCOSHPSA-N -1 0 396.465 0.666 20 0 GCADRM CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000422688275 1194691315 /nfs/dbraw/zinc/69/13/15/1194691315.db2.gz MLVLAYDRFXZAEE-NWDGAFQWSA-N -1 0 399.469 0.881 20 0 GCADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)C1 ZINC000422712204 1194691325 /nfs/dbraw/zinc/69/13/25/1194691325.db2.gz GRTVABLTFINSCQ-UONOGXRCSA-N -1 0 390.440 0.104 20 0 GCADRM 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